From 842e9d7becf3db0903a4169fadafa4e1c25435c0 Mon Sep 17 00:00:00 2001 From: k-wavy <105947657+k-wavy@users.noreply.github.com> Date: Thu, 29 Jan 2026 09:42:36 +0100 Subject: [PATCH 01/16] working on 3d structure mapping + updates to gui --- examples/1U19.pdb | 7062 +++++++++++++++++ ...Bombus_impatiens_347_structure_heatmap.pdb | 7062 +++++++++++++++++ .../arg_log.txt | 17 + .../blastp_report.csv | 6 + .../bootstrap_viz_part1.svg | 2161 +++++ .../fig_tree_color_annotation.txt | 6 + .../itol_color_annotation.txt | 8 + .../optics_results_predictions.tsv | 6 + .../optics_results_predictions_for_excel.xlsx | Bin 0 -> 5466 bytes .../arg_log.txt | 17 + .../blastp_report.csv | 6 + .../bootstrap_viz_part1.svg | 2161 +++++ .../fig_tree_color_annotation.txt | 6 + .../itol_color_annotation.txt | 8 + .../testing_predictions.tsv | 6 + .../testing_predictions_for_excel.xlsx | Bin 0 -> 5467 bytes .../Bombus_impatiens_347_individual_shap.svg | 2198 +++++ .../Bombus_impatiens_347_shap_analysis.csv | 1127 +++ .../Bombus_impatiens_424_individual_shap.svg | 2221 ++++++ .../Bombus_impatiens_424_shap_analysis.csv | 1127 +++ ..._424_vs_Bombus_impatiens_347_shap_data.csv | 501 ++ ...atiens_424_vs_Bombus_impatiens_347_viz.svg | 2425 ++++++ .../Bombus_impatiens_539_individual_shap.svg | 2184 +++++ .../Bombus_impatiens_539_shap_analysis.csv | 1127 +++ ..._539_vs_Bombus_impatiens_347_shap_data.csv | 673 ++ ...atiens_539_vs_Bombus_impatiens_347_viz.svg | 2467 ++++++ ..._539_vs_Bombus_impatiens_424_shap_data.csv | 671 ++ ...atiens_539_vs_Bombus_impatiens_424_viz.svg | 2477 ++++++ ...dactylus_oerstedii_334_individual_shap.svg | 2305 ++++++ ...nodactylus_oerstedii_334_shap_analysis.csv | 1127 +++ ..._334_vs_Bombus_impatiens_347_shap_data.csv | 488 ++ ...stedii_334_vs_Bombus_impatiens_347_viz.svg | 2602 ++++++ ..._334_vs_Bombus_impatiens_424_shap_data.csv | 572 ++ ...stedii_334_vs_Bombus_impatiens_424_viz.svg | 2630 ++++++ ..._334_vs_Bombus_impatiens_539_shap_data.csv | 698 ++ ...stedii_334_vs_Bombus_impatiens_539_viz.svg | 2570 ++++++ ...eogonodactylus_oerstedii_383_shap_data.csv | 474 ++ ...4_vs_Neogonodactylus_oerstedii_383_viz.svg | 2528 ++++++ ...dactylus_oerstedii_383_individual_shap.svg | 2227 ++++++ ...nodactylus_oerstedii_383_shap_analysis.csv | 1127 +++ ..._383_vs_Bombus_impatiens_347_shap_data.csv | 422 + ...stedii_383_vs_Bombus_impatiens_347_viz.svg | 2579 ++++++ ..._383_vs_Bombus_impatiens_424_shap_data.csv | 480 ++ ...stedii_383_vs_Bombus_impatiens_424_viz.svg | 2551 ++++++ ..._383_vs_Bombus_impatiens_539_shap_data.csv | 666 ++ ...stedii_383_vs_Bombus_impatiens_539_viz.svg | 2521 ++++++ .../shap_script_log.txt | 53 + .../testing_gui_v2_prediction_diff_matrix.csv | 6 + ...i_v2_prediction_diff_matrix_for_excel.xlsx | Bin 0 -> 5328 bytes .../testing_gui_v2_predictions.csv | 6 + examples/visualize_Bombus_impatiens_347.pml | 7 + optics_structure_map.py | 304 + run_optics_gui_pyqy.py | 638 ++ run_optics_gui_v2.py | 658 ++ run_optics_gui_v3.py | 758 ++ run_optics_gui_v4.py | 776 ++ 56 files changed, 69503 insertions(+) create mode 100644 examples/1U19.pdb create mode 100644 examples/Bombus_impatiens_347_structure_heatmap.pdb create mode 100644 examples/optics_on_optics_results_2026-01-26_15-46-29/arg_log.txt create mode 100644 examples/optics_on_optics_results_2026-01-26_15-46-29/blastp_report.csv create mode 100644 examples/optics_on_optics_results_2026-01-26_15-46-29/bootstrap_viz_part1.svg create mode 100644 examples/optics_on_optics_results_2026-01-26_15-46-29/fig_tree_color_annotation.txt create mode 100644 examples/optics_on_optics_results_2026-01-26_15-46-29/itol_color_annotation.txt create mode 100644 examples/optics_on_optics_results_2026-01-26_15-46-29/optics_results_predictions.tsv create mode 100644 examples/optics_on_optics_results_2026-01-26_15-46-29/optics_results_predictions_for_excel.xlsx create mode 100644 examples/optics_on_testing_2026-01-26_15-25-47/arg_log.txt create mode 100644 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BOS TAURUS; +SOURCE 3 ORGANISM_COMMON: CATTLE; +SOURCE 4 ORGANISM_TAXID: 9913 +KEYWDS G PROTEIN-COUPLED RECEPTOR, MEMBRANE PROTEIN, RETINAL PROTEIN, +KEYWDS 2 PHOTORECEPTOR, SIGNALING PROTEIN +EXPDTA X-RAY DIFFRACTION +AUTHOR T.OKADA,M.SUGIHARA,A.N.BONDAR,M.ELSTNER,P.ENTEL,V.BUSS +REVDAT 7 09-OCT-24 1U19 1 REMARK +REVDAT 6 25-OCT-23 1U19 1 HETSYN +REVDAT 5 29-JUL-20 1U19 1 COMPND REMARK HETNAM LINK +REVDAT 5 2 1 SITE ATOM +REVDAT 4 25-MAR-15 1U19 1 REMARK +REVDAT 3 13-JUL-11 1U19 1 VERSN +REVDAT 2 24-FEB-09 1U19 1 VERSN +REVDAT 1 12-OCT-04 1U19 0 +JRNL AUTH T.OKADA,M.SUGIHARA,A.N.BONDAR,M.ELSTNER,P.ENTEL,V.BUSS +JRNL TITL THE RETINAL CONFORMATION AND ITS ENVIRONMENT IN RHODOPSIN IN +JRNL TITL 2 LIGHT OF A NEW 2.2 A CRYSTAL STRUCTURE +JRNL REF J.MOL.BIOL. V. 342 571 2004 +JRNL REFN ISSN 0022-2836 +JRNL PMID 15327956 +JRNL DOI 10.1016/J.JMB.2004.07.044 +REMARK 2 +REMARK 2 RESOLUTION. 2.20 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : CNS +REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- +REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, +REMARK 3 : READ,RICE,SIMONSON,WARREN +REMARK 3 +REMARK 3 REFINEMENT TARGET : ENGH & HUBER +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 50.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 85.4 +REMARK 3 NUMBER OF REFLECTIONS : 59552 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING SET) : 0.200 +REMARK 3 FREE R VALUE : 0.222 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : 2839 +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : NULL +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL +REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL +REMARK 3 BIN R VALUE (WORKING SET) : NULL +REMARK 3 BIN FREE R VALUE : NULL +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 5498 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 384 +REMARK 3 SOLVENT ATOMS : 66 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : 42.10 +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.32 +REMARK 3 ESD FROM SIGMAA (A) : 0.53 +REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.34 +REMARK 3 ESD FROM C-V SIGMAA (A) : 0.49 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.012 +REMARK 3 BOND ANGLES (DEGREES) : 1.400 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : 20.60 +REMARK 3 IMPROPER ANGLES (DEGREES) : 0.970 +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELING. +REMARK 3 METHOD USED : NULL +REMARK 3 KSOL : NULL +REMARK 3 BSOL : NULL +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : NULL +REMARK 3 TOPOLOGY FILE 1 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1U19 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 21-JUL-04. +REMARK 100 THE DEPOSITION ID IS D_1000023119. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 10-MAR-03 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 6.0 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : SPRING-8 +REMARK 200 BEAMLINE : BL41XU +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.0000 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 +REMARK 200 DATA SCALING SOFTWARE : SCALEPACK +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 61728 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200 +REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 88.4 +REMARK 200 DATA REDUNDANCY : 3.200 +REMARK 200 R MERGE (I) : 0.09300 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 11.9000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.28 +REMARK 200 COMPLETENESS FOR SHELL (%) : 46.2 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : 0.66700 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 1.200 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: AMORE +REMARK 200 STARTING MODEL: PDB ENTRY 1L9H +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 71.00 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.20 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: AMMONIUM SULFATE, PH 6.0, VAPOR +REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 283K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,-Y,Z+1/2 +REMARK 290 3555 -Y,X,Z+1/4 +REMARK 290 4555 Y,-X,Z+3/4 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 75.10000 +REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 37.55000 +REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 112.65000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, C, D +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, E, F +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 ND1 HIS A 65 O VAL A 337 2.18 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC +REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 +REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A +REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 +REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE +REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. +REMARK 500 +REMARK 500 DISTANCE CUTOFF: +REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS +REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE +REMARK 500 NE2 GLN A 344 O6 HTG B 1509 4564 2.04 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 PRO B 347 C - N - CA ANGL. DEV. = 9.1 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 TYR A 10 94.72 -164.52 +REMARK 500 GLU A 25 -25.20 -145.41 +REMARK 500 VAL A 139 -73.95 -68.59 +REMARK 500 LYS A 141 91.59 16.27 +REMARK 500 ASN A 145 36.50 -177.92 +REMARK 500 SER A 176 -163.64 66.65 +REMARK 500 GLN A 184 30.66 71.64 +REMARK 500 HIS A 195 81.05 4.65 +REMARK 500 HIS A 211 53.00 -114.92 +REMARK 500 PHE A 212 -83.13 179.74 +REMARK 500 LEU A 226 41.59 -78.43 +REMARK 500 THR A 229 -136.01 -81.41 +REMARK 500 ALA A 233 94.22 -62.40 +REMARK 500 ALA A 235 -151.04 -93.74 +REMARK 500 GLN A 238 125.99 69.04 +REMARK 500 SER A 240 17.04 167.58 +REMARK 500 ALA A 241 132.21 148.69 +REMARK 500 HIS A 278 47.56 -143.13 +REMARK 500 VAL A 300 -33.74 -133.39 +REMARK 500 CYS A 322 31.86 -67.16 +REMARK 500 CYS A 323 -68.14 45.04 +REMARK 500 LYS A 325 -118.21 -137.50 +REMARK 500 ASN A 326 72.32 54.51 +REMARK 500 PRO A 327 27.99 -69.90 +REMARK 500 LEU A 328 -101.09 11.79 +REMARK 500 ASP A 331 -151.01 61.85 +REMARK 500 ALA A 333 -29.31 68.77 +REMARK 500 SER A 334 -161.99 -107.01 +REMARK 500 THR A 335 159.81 -38.78 +REMARK 500 SER A 338 -144.27 -176.70 +REMARK 500 LYS A 339 -71.43 -108.32 +REMARK 500 GLU A 341 -121.86 -70.18 +REMARK 500 THR A 342 45.44 -97.23 +REMARK 500 GLN A 344 107.02 -51.12 +REMARK 500 ALA A 346 59.91 -146.16 +REMARK 500 PRO A 347 -107.93 -83.03 +REMARK 500 TYR B 10 97.71 -161.29 +REMARK 500 SER B 22 130.39 -37.97 +REMARK 500 LEU B 68 81.99 -67.11 +REMARK 500 ARG B 69 26.17 -147.78 +REMARK 500 LYS B 141 89.33 -1.40 +REMARK 500 SER B 144 -62.88 -109.26 +REMARK 500 SER B 176 -170.27 69.39 +REMARK 500 HIS B 195 74.83 15.58 +REMARK 500 GLU B 197 -14.18 -48.88 +REMARK 500 THR B 198 13.44 -145.39 +REMARK 500 HIS B 211 33.43 -96.96 +REMARK 500 PHE B 212 -72.86 -161.98 +REMARK 500 LEU B 226 36.71 -84.32 +REMARK 500 THR B 229 -144.12 -70.00 +REMARK 500 +REMARK 500 THIS ENTRY HAS 75 RAMACHANDRAN OUTLIERS. +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 610 +REMARK 610 MISSING HETEROATOM +REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 610 I=INSERTION CODE): +REMARK 610 M RES C SSEQI +REMARK 610 PLM A 1410 +REMARK 610 PLM B 1407 +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN A 962 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU A 122 OE1 +REMARK 620 2 TRP A 126 NE1 70.8 +REMARK 620 3 MET A 163 O 154.9 93.8 +REMARK 620 4 HIS A 211 ND1 101.7 83.0 95.7 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN A2011 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS A 195 NE2 +REMARK 620 2 GLU A 197 OE1 91.2 +REMARK 620 N 1 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN A 957 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU A 201 OE1 +REMARK 620 2 GLU A 201 OE2 60.8 +REMARK 620 3 GLN A 279 NE2 165.9 109.0 +REMARK 620 N 1 2 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 HG A 901 HG +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 CYS A 264 SG +REMARK 620 2 THR A 297 OG1 77.9 +REMARK 620 N 1 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN A 959 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 LYS A 311 NZ +REMARK 620 2 ASP A 330 N 108.4 +REMARK 620 N 1 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 HG A 905 HG +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLN A 312 O +REMARK 620 2 CYS A 316 SG 80.0 +REMARK 620 3 HOH A2061 O 135.4 78.5 +REMARK 620 N 1 2 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 HG B 906 HG +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS B 65 ND1 +REMARK 620 2 CYS B 316 SG 140.2 +REMARK 620 3 THR B 336 O 136.5 73.1 +REMARK 620 4 VAL B 337 O 74.3 141.9 68.9 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN B 963 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 TRP B 126 NE1 +REMARK 620 2 HIS B 211 ND1 86.5 +REMARK 620 N 1 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN B 956 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS B 195 NE2 +REMARK 620 2 GLU B 197 OE1 85.9 +REMARK 620 N 1 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN B 958 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU B 201 OE2 +REMARK 620 2 GLU B 201 OE1 57.0 +REMARK 620 3 GLN B 279 NE2 84.0 139.4 +REMARK 620 N 1 2 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 1F88 RELATED DB: PDB +REMARK 900 RELATED ID: 1HZX RELATED DB: PDB +REMARK 900 RELATED ID: 1L9H RELATED DB: PDB +DBREF 1U19 A 1 348 UNP P02699 OPSD_BOVIN 1 348 +DBREF 1U19 B 1 348 UNP P02699 OPSD_BOVIN 1 348 +SEQRES 1 A 349 ACE MET ASN GLY THR GLU GLY PRO ASN PHE TYR VAL PRO +SEQRES 2 A 349 PHE SER ASN LYS THR GLY VAL VAL ARG SER PRO PHE GLU +SEQRES 3 A 349 ALA PRO GLN TYR TYR LEU ALA GLU PRO TRP GLN PHE SER +SEQRES 4 A 349 MET LEU ALA ALA TYR MET PHE LEU LEU ILE MET LEU GLY +SEQRES 5 A 349 PHE PRO ILE ASN PHE LEU THR LEU TYR VAL THR VAL GLN +SEQRES 6 A 349 HIS LYS LYS LEU ARG THR PRO LEU ASN TYR ILE LEU LEU +SEQRES 7 A 349 ASN LEU ALA VAL ALA ASP LEU PHE MET VAL PHE GLY GLY +SEQRES 8 A 349 PHE THR THR THR LEU TYR THR SER LEU HIS GLY TYR PHE +SEQRES 9 A 349 VAL PHE GLY PRO THR GLY CYS ASN LEU GLU GLY PHE PHE +SEQRES 10 A 349 ALA THR LEU GLY GLY GLU ILE ALA LEU TRP SER LEU VAL +SEQRES 11 A 349 VAL LEU ALA ILE GLU ARG TYR VAL VAL VAL CYS LYS PRO +SEQRES 12 A 349 MET SER ASN PHE ARG PHE GLY GLU ASN HIS ALA ILE MET +SEQRES 13 A 349 GLY VAL ALA PHE THR TRP VAL MET ALA LEU ALA CYS ALA +SEQRES 14 A 349 ALA PRO PRO LEU VAL GLY TRP SER ARG TYR ILE PRO GLU +SEQRES 15 A 349 GLY MET GLN CYS SER CYS GLY ILE ASP TYR TYR THR PRO +SEQRES 16 A 349 HIS GLU GLU THR ASN ASN GLU SER PHE VAL ILE TYR MET +SEQRES 17 A 349 PHE VAL VAL HIS PHE ILE ILE PRO LEU ILE VAL ILE PHE +SEQRES 18 A 349 PHE CYS TYR GLY GLN LEU VAL PHE THR VAL LYS GLU ALA +SEQRES 19 A 349 ALA ALA GLN GLN GLN GLU SER ALA THR THR GLN LYS ALA +SEQRES 20 A 349 GLU LYS GLU VAL THR ARG MET VAL ILE ILE MET VAL ILE +SEQRES 21 A 349 ALA PHE LEU ILE CYS TRP LEU PRO TYR ALA GLY VAL ALA +SEQRES 22 A 349 PHE TYR ILE PHE THR HIS GLN GLY SER ASP PHE GLY PRO +SEQRES 23 A 349 ILE PHE MET THR ILE PRO ALA PHE PHE ALA LYS THR SER +SEQRES 24 A 349 ALA VAL TYR ASN PRO VAL ILE TYR ILE MET MET ASN LYS +SEQRES 25 A 349 GLN PHE ARG ASN CYS MET VAL THR THR LEU CYS CYS GLY +SEQRES 26 A 349 LYS ASN PRO LEU GLY ASP ASP GLU ALA SER THR THR VAL +SEQRES 27 A 349 SER LYS THR GLU THR SER GLN VAL ALA PRO ALA +SEQRES 1 B 349 ACE MET ASN GLY THR GLU GLY PRO ASN PHE TYR VAL PRO +SEQRES 2 B 349 PHE SER ASN LYS THR GLY VAL VAL ARG SER PRO PHE GLU +SEQRES 3 B 349 ALA PRO GLN TYR TYR LEU ALA GLU PRO TRP GLN PHE SER +SEQRES 4 B 349 MET LEU ALA ALA TYR MET PHE LEU LEU ILE MET LEU GLY +SEQRES 5 B 349 PHE PRO ILE ASN PHE LEU THR LEU TYR VAL THR VAL GLN +SEQRES 6 B 349 HIS LYS LYS LEU ARG THR PRO LEU ASN TYR ILE LEU LEU +SEQRES 7 B 349 ASN LEU ALA VAL ALA ASP LEU PHE MET VAL PHE GLY GLY +SEQRES 8 B 349 PHE THR THR THR LEU TYR THR SER LEU HIS GLY TYR PHE +SEQRES 9 B 349 VAL PHE GLY PRO THR GLY CYS ASN LEU GLU GLY PHE PHE +SEQRES 10 B 349 ALA THR LEU GLY GLY GLU ILE ALA LEU TRP SER LEU VAL +SEQRES 11 B 349 VAL LEU ALA ILE GLU ARG TYR VAL VAL VAL CYS LYS PRO +SEQRES 12 B 349 MET SER ASN PHE ARG PHE GLY GLU ASN HIS ALA ILE MET +SEQRES 13 B 349 GLY VAL ALA PHE THR TRP VAL MET ALA LEU ALA CYS ALA +SEQRES 14 B 349 ALA PRO PRO LEU VAL GLY TRP SER ARG TYR ILE PRO GLU +SEQRES 15 B 349 GLY MET GLN CYS SER CYS GLY ILE ASP TYR TYR THR PRO +SEQRES 16 B 349 HIS GLU GLU THR ASN ASN GLU SER PHE VAL ILE TYR MET +SEQRES 17 B 349 PHE VAL VAL HIS PHE ILE ILE PRO LEU ILE VAL ILE PHE +SEQRES 18 B 349 PHE CYS TYR GLY GLN LEU VAL PHE THR VAL LYS GLU ALA +SEQRES 19 B 349 ALA ALA GLN GLN GLN GLU SER ALA THR THR GLN LYS ALA +SEQRES 20 B 349 GLU LYS GLU VAL THR ARG MET VAL ILE ILE MET VAL ILE +SEQRES 21 B 349 ALA PHE LEU ILE CYS TRP LEU PRO TYR ALA GLY VAL ALA +SEQRES 22 B 349 PHE TYR ILE PHE THR HIS GLN GLY SER ASP PHE GLY PRO +SEQRES 23 B 349 ILE PHE MET THR ILE PRO ALA PHE PHE ALA LYS THR SER +SEQRES 24 B 349 ALA VAL TYR ASN PRO VAL ILE TYR ILE MET MET ASN LYS +SEQRES 25 B 349 GLN PHE ARG ASN CYS MET VAL THR THR LEU CYS CYS GLY +SEQRES 26 B 349 LYS ASN PRO LEU GLY ASP ASP GLU ALA SER THR THR VAL +SEQRES 27 B 349 SER LYS THR GLU THR SER GLN VAL ALA PRO ALA +MODRES 1U19 ASN A 2 ASN GLYCOSYLATION SITE +MODRES 1U19 ASN A 15 ASN GLYCOSYLATION SITE +MODRES 1U19 ASN B 2 ASN GLYCOSYLATION SITE +MODRES 1U19 ASN B 15 ASN GLYCOSYLATION SITE +HET ACE A 0 3 +HET ACE B 0 3 +HET NAG C 1 14 +HET NAG C 2 14 +HET MAN C 3 11 +HET NAG D 1 14 +HET NAG D 2 14 +HET NAG E 1 14 +HET NAG E 2 14 +HET BMA E 3 11 +HET BMA E 4 11 +HET NAG F 1 14 +HET NAG F 2 14 +HET HG A 901 1 +HET HG A 903 1 +HET HG A 905 1 +HET ZN A 957 1 +HET ZN A 959 1 +HET ZN A 962 1 +HET ZN A2011 1 +HET RET A1296 20 +HET PLM A1322 17 +HET PLM A1323 17 +HET PLM A1410 16 +HET HTG A1507 19 +HET HG B 902 1 +HET HG B 904 1 +HET HG B 906 1 +HET ZN B 956 1 +HET ZN B 958 1 +HET ZN B 963 1 +HET RET B1296 20 +HET PLM B1322 17 +HET PLM B1323 17 +HET HTO B1401 10 +HET PLM B1407 16 +HET HTG B1506 19 +HET HTG B1508 19 +HET HTG B1509 19 +HETNAM ACE ACETYL GROUP +HETNAM NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE +HETNAM MAN ALPHA-D-MANNOPYRANOSE +HETNAM BMA BETA-D-MANNOPYRANOSE +HETNAM HG MERCURY (II) ION +HETNAM ZN ZINC ION +HETNAM RET RETINAL +HETNAM PLM PALMITIC ACID +HETNAM HTG HEPTYL 1-THIO-BETA-D-GLUCOPYRANOSIDE +HETNAM HTO HEPTANE-1,2,3-TRIOL +HETSYN NAG N-ACETYL-BETA-D-GLUCOSAMINE; 2-ACETAMIDO-2-DEOXY-BETA- +HETSYN 2 NAG D-GLUCOSE; 2-ACETAMIDO-2-DEOXY-D-GLUCOSE; 2-ACETAMIDO- +HETSYN 3 NAG 2-DEOXY-GLUCOSE; N-ACETYL-D-GLUCOSAMINE +HETSYN MAN ALPHA-D-MANNOSE; D-MANNOSE; MANNOSE +HETSYN BMA BETA-D-MANNOSE; D-MANNOSE; MANNOSE +HETSYN HTG HEPTYL 1-THIOHEXOPYRANOSIDE; HEPTYL 1-THIO-BETA-D- +HETSYN 2 HTG GLUCOSIDE; HEPTYL 1-THIO-D-GLUCOSIDE; HEPTYL 1-THIO- +HETSYN 3 HTG GLUCOSIDE +FORMUL 1 ACE 2(C2 H4 O) +FORMUL 3 NAG 8(C8 H15 N O6) +FORMUL 3 MAN C6 H12 O6 +FORMUL 5 BMA 2(C6 H12 O6) +FORMUL 7 HG 6(HG 2+) +FORMUL 10 ZN 7(ZN 2+) +FORMUL 14 RET 2(C20 H28 O) +FORMUL 15 PLM 6(C16 H32 O2) +FORMUL 18 HTG 4(C13 H26 O5 S) +FORMUL 28 HTO C7 H16 O3 +FORMUL 33 HOH *66(H2 O) +HELIX 1 1 GLU A 33 HIS A 65 1 33 +HELIX 2 2 THR A 70 GLY A 90 1 21 +HELIX 3 3 GLY A 90 GLY A 101 1 12 +HELIX 4 4 PHE A 105 CYS A 140 1 36 +HELIX 5 5 GLY A 149 ALA A 169 1 21 +HELIX 6 6 PRO A 170 VAL A 173 5 4 +HELIX 7 7 HIS A 195 THR A 198 5 4 +HELIX 8 8 ASN A 199 HIS A 211 1 13 +HELIX 9 9 PHE A 212 GLY A 224 1 13 +HELIX 10 10 ALA A 241 HIS A 278 1 38 +HELIX 11 11 GLY A 284 ALA A 295 1 12 +HELIX 12 12 LYS A 296 ALA A 299 5 4 +HELIX 13 13 VAL A 300 MET A 309 1 10 +HELIX 14 14 ASN A 310 CYS A 322 1 13 +HELIX 15 15 GLU B 33 HIS B 65 1 33 +HELIX 16 16 THR B 70 GLY B 90 1 21 +HELIX 17 17 GLY B 90 GLY B 101 1 12 +HELIX 18 18 PHE B 105 CYS B 140 1 36 +HELIX 19 19 GLY B 149 ALA B 169 1 21 +HELIX 20 20 PRO B 170 VAL B 173 5 4 +HELIX 21 21 HIS B 195 THR B 198 5 4 +HELIX 22 22 ASN B 199 VAL B 210 1 12 +HELIX 23 23 PHE B 212 LEU B 226 1 15 +HELIX 24 24 ALA B 241 ALA B 246 1 6 +HELIX 25 25 GLU B 247 THR B 277 1 31 +HELIX 26 26 GLY B 284 LYS B 296 1 13 +HELIX 27 27 THR B 297 ALA B 299 5 3 +HELIX 28 28 VAL B 300 ASN B 310 1 11 +HELIX 29 29 ASN B 310 CYS B 322 1 13 +SHEET 1 A 2 THR A 4 GLU A 5 0 +SHEET 2 A 2 TYR A 10 VAL A 11 -1 O VAL A 11 N THR A 4 +SHEET 1 B 2 ILE A 179 GLU A 181 0 +SHEET 2 B 2 SER A 186 GLY A 188 -1 O GLY A 188 N ILE A 179 +SHEET 1 C 2 THR B 4 GLU B 5 0 +SHEET 2 C 2 TYR B 10 VAL B 11 -1 O VAL B 11 N THR B 4 +SHEET 1 D 2 TYR B 178 GLU B 181 0 +SHEET 2 D 2 SER B 186 ILE B 189 -1 O GLY B 188 N ILE B 179 +SSBOND 1 CYS A 110 CYS A 187 1555 1555 2.02 +SSBOND 2 CYS B 110 CYS B 187 1555 1555 2.03 +LINK C ACE A 0 N MET A 1 1555 1555 1.35 +LINK ND2 ASN A 2 C1 NAG D 1 1555 1555 1.44 +LINK ND2 ASN A 15 C1 NAG C 1 1555 1555 1.45 +LINK NZ LYS A 296 C15 RET A1296 1555 1555 1.33 +LINK SG CYS A 322 C1 PLM A1322 1555 1555 1.86 +LINK SG CYS A 323 C1 PLM A1323 1555 1555 1.89 +LINK C ACE B 0 N MET B 1 1555 1555 1.35 +LINK ND2 ASN B 2 C1 NAG F 1 1555 1555 1.45 +LINK ND2 ASN B 15 C1 NAG E 1 1555 1555 1.44 +LINK NZ LYS B 296 C15 RET B1296 1555 1555 1.34 +LINK SG CYS B 322 C1 PLM B1322 1555 1555 1.89 +LINK SG CYS B 323 C1 PLM B1323 1555 1555 1.90 +LINK O4 NAG C 1 C1 NAG C 2 1555 1555 1.40 +LINK O4 NAG C 2 C1 MAN C 3 1555 1555 1.40 +LINK O4 NAG D 1 C1 NAG D 2 1555 1555 1.38 +LINK O4 NAG E 1 C1 NAG E 2 1555 1555 1.38 +LINK O4 NAG E 2 C1 BMA E 3 1555 1555 1.38 +LINK O3 BMA E 3 C1 BMA E 4 1555 1555 1.40 +LINK O4 NAG F 1 C1 NAG F 2 1555 1555 1.39 +LINK OE1 GLU A 122 ZN ZN A 962 1555 1555 2.61 +LINK NE1 TRP A 126 ZN ZN A 962 1555 1555 2.67 +LINK O MET A 163 ZN ZN A 962 1555 1555 2.67 +LINK NE2 HIS A 195 ZN ZN A2011 1555 1555 2.20 +LINK OE1 GLU A 197 ZN ZN A2011 1555 1555 2.41 +LINK OE1 GLU A 201 ZN ZN A 957 1555 1555 2.31 +LINK OE2 GLU A 201 ZN ZN A 957 1555 1555 2.00 +LINK ND1 HIS A 211 ZN ZN A 962 1555 1555 2.43 +LINK SG CYS A 222 HG HG A 903 1555 1555 2.35 +LINK SG CYS A 264 HG HG A 901 1555 1555 2.82 +LINK NE2 GLN A 279 ZN ZN A 957 1555 1555 1.72 +LINK OG1 THR A 297 HG HG A 901 1555 1555 3.08 +LINK NZ LYS A 311 ZN ZN A 959 1555 1555 1.83 +LINK O GLN A 312 HG HG A 905 1555 1555 3.17 +LINK SG CYS A 316 HG HG A 905 1555 1555 2.47 +LINK N ASP A 330 ZN ZN A 959 1555 1555 2.43 +LINK HG HG A 905 O HOH A2061 1555 1555 2.60 +LINK ND1 HIS B 65 HG HG B 906 1555 1555 2.72 +LINK NE1 TRP B 126 ZN ZN B 963 1555 1555 2.47 +LINK NE2 HIS B 195 ZN ZN B 956 1555 1555 2.06 +LINK OE1 GLU B 197 ZN ZN B 956 1555 1555 2.09 +LINK OE2 GLU B 201 ZN ZN B 958 1555 1555 2.15 +LINK OE1 GLU B 201 ZN ZN B 958 1555 1555 2.43 +LINK ND1 HIS B 211 ZN ZN B 963 1555 1555 2.44 +LINK SG CYS B 264 HG HG B 902 1555 1555 2.68 +LINK NE2 GLN B 279 ZN ZN B 958 1555 1555 1.85 +LINK SG CYS B 316 HG HG B 906 1555 1555 2.37 +LINK O THR B 336 HG HG B 906 1555 1555 2.05 +LINK O VAL B 337 HG HG B 906 1555 1555 1.99 +CRYST1 96.680 96.680 150.200 90.00 90.00 90.00 P 41 8 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.010343 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.010343 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.006658 0.00000 +HETATM 1 C ACE A 0 53.553 -7.050 35.606 1.00 47.40 C +HETATM 2 O ACE A 0 52.916 -7.860 34.934 1.00 46.96 O +HETATM 3 CH3 ACE A 0 54.727 -7.523 36.434 1.00 47.42 C +ATOM 4 N MET A 1 53.284 -5.731 35.670 1.00 47.11 N +ATOM 5 CA MET A 1 52.214 -5.077 34.913 1.00 46.26 C +ATOM 6 C MET A 1 52.674 -4.891 33.485 1.00 46.68 C +ATOM 7 O MET A 1 53.849 -4.563 33.283 1.00 46.86 O +ATOM 8 CB MET A 1 51.887 -3.719 35.536 1.00 45.60 C +ATOM 9 CG MET A 1 51.426 -3.792 36.982 1.00 44.48 C +ATOM 10 SD MET A 1 49.945 -4.797 37.183 1.00 46.06 S +ATOM 11 CE MET A 1 48.647 -3.745 36.534 1.00 43.77 C +ATOM 12 N ASN A 2 51.781 -5.083 32.508 1.00 46.50 N +ATOM 13 CA ASN A 2 52.150 -4.950 31.087 1.00 46.16 C +ATOM 14 C ASN A 2 52.395 -3.519 30.683 1.00 45.83 C +ATOM 15 O ASN A 2 53.065 -3.284 29.678 1.00 46.50 O +ATOM 16 CB ASN A 2 51.073 -5.523 30.174 1.00 46.63 C +ATOM 17 CG ASN A 2 50.985 -7.005 30.265 1.00 47.63 C +ATOM 18 OD1 ASN A 2 51.963 -7.709 30.034 1.00 46.09 O +ATOM 19 ND2 ASN A 2 49.803 -7.490 30.614 1.00 51.03 N +ATOM 20 N GLY A 3 51.852 -2.565 31.430 1.00 45.38 N +ATOM 21 CA GLY A 3 52.066 -1.173 31.079 1.00 44.72 C +ATOM 22 C GLY A 3 52.411 -0.330 32.284 1.00 44.42 C +ATOM 23 O GLY A 3 52.493 -0.830 33.401 1.00 45.22 O +ATOM 24 N THR A 4 52.612 0.959 32.058 1.00 43.92 N +ATOM 25 CA THR A 4 52.934 1.847 33.150 1.00 43.35 C +ATOM 26 C THR A 4 51.822 2.840 33.331 1.00 43.48 C +ATOM 27 O THR A 4 51.792 3.855 32.649 1.00 43.41 O +ATOM 28 CB THR A 4 54.234 2.605 32.893 1.00 43.38 C +ATOM 29 OG1 THR A 4 55.307 1.673 32.708 1.00 45.14 O +ATOM 30 CG2 THR A 4 54.550 3.501 34.066 1.00 42.82 C +ATOM 31 N GLU A 5 50.892 2.538 34.230 1.00 43.15 N +ATOM 32 CA GLU A 5 49.806 3.456 34.501 1.00 43.52 C +ATOM 33 C GLU A 5 50.366 4.630 35.284 1.00 43.43 C +ATOM 34 O GLU A 5 51.260 4.459 36.117 1.00 43.98 O +ATOM 35 CB GLU A 5 48.692 2.777 35.311 1.00 44.23 C +ATOM 36 CG GLU A 5 47.593 3.735 35.718 1.00 46.14 C +ATOM 37 CD GLU A 5 46.549 3.105 36.608 1.00 48.65 C +ATOM 38 OE1 GLU A 5 46.928 2.306 37.491 1.00 50.79 O +ATOM 39 OE2 GLU A 5 45.349 3.422 36.446 1.00 49.99 O +ATOM 40 N GLY A 6 49.862 5.825 34.990 1.00 43.73 N +ATOM 41 CA GLY A 6 50.272 7.030 35.685 1.00 42.34 C +ATOM 42 C GLY A 6 48.999 7.650 36.225 1.00 41.75 C +ATOM 43 O GLY A 6 47.890 7.161 35.969 1.00 41.59 O +ATOM 44 N PRO A 7 49.108 8.730 36.986 1.00 41.19 N +ATOM 45 CA PRO A 7 47.863 9.320 37.505 1.00 41.84 C +ATOM 46 C PRO A 7 47.119 10.088 36.431 1.00 42.55 C +ATOM 47 O PRO A 7 45.931 10.411 36.548 1.00 42.48 O +ATOM 48 CB PRO A 7 48.370 10.237 38.618 1.00 42.06 C +ATOM 49 CG PRO A 7 49.761 10.634 38.120 1.00 40.91 C +ATOM 50 CD PRO A 7 50.312 9.369 37.548 1.00 40.31 C +ATOM 51 N ASN A 8 47.841 10.286 35.344 1.00 43.66 N +ATOM 52 CA ASN A 8 47.426 11.107 34.234 1.00 43.35 C +ATOM 53 C ASN A 8 47.567 10.424 32.892 1.00 44.10 C +ATOM 54 O ASN A 8 47.100 10.977 31.880 1.00 43.87 O +ATOM 55 CB ASN A 8 48.379 12.268 34.238 1.00 43.81 C +ATOM 56 CG ASN A 8 47.731 13.509 33.908 1.00 45.93 C +ATOM 57 OD1 ASN A 8 48.398 14.520 33.753 1.00 48.91 O +ATOM 58 ND2 ASN A 8 46.399 13.482 33.800 1.00 47.02 N +ATOM 59 N PHE A 9 48.231 9.266 32.874 1.00 44.48 N +ATOM 60 CA PHE A 9 48.540 8.536 31.639 1.00 43.95 C +ATOM 61 C PHE A 9 48.580 7.025 31.835 1.00 44.36 C +ATOM 62 O PHE A 9 48.221 6.505 32.882 1.00 45.02 O +ATOM 63 CB PHE A 9 49.918 8.966 31.158 1.00 43.71 C +ATOM 64 CG PHE A 9 51.008 8.757 32.190 1.00 42.51 C +ATOM 65 CD1 PHE A 9 51.316 9.755 33.112 1.00 42.13 C +ATOM 66 CD2 PHE A 9 51.703 7.551 32.256 1.00 41.42 C +ATOM 67 CE1 PHE A 9 52.306 9.555 34.090 1.00 42.10 C +ATOM 68 CE2 PHE A 9 52.692 7.343 33.228 1.00 41.99 C +ATOM 69 CZ PHE A 9 52.993 8.348 34.146 1.00 41.06 C +ATOM 70 N TYR A 10 49.050 6.338 30.797 1.00 43.82 N +ATOM 71 CA TYR A 10 49.199 4.888 30.789 1.00 42.40 C +ATOM 72 C TYR A 10 50.099 4.537 29.625 1.00 41.15 C +ATOM 73 O TYR A 10 49.626 4.418 28.500 1.00 40.15 O +ATOM 74 CB TYR A 10 47.841 4.184 30.619 1.00 42.71 C +ATOM 75 CG TYR A 10 47.953 2.680 30.679 1.00 43.13 C +ATOM 76 CD1 TYR A 10 48.026 2.018 31.909 1.00 43.63 C +ATOM 77 CD2 TYR A 10 48.070 1.917 29.510 1.00 42.54 C +ATOM 78 CE1 TYR A 10 48.216 0.634 31.976 1.00 42.90 C +ATOM 79 CE2 TYR A 10 48.259 0.537 29.568 1.00 43.02 C +ATOM 80 CZ TYR A 10 48.330 -0.093 30.806 1.00 43.04 C +ATOM 81 OH TYR A 10 48.496 -1.451 30.889 1.00 44.88 O +ATOM 82 N VAL A 11 51.395 4.393 29.871 1.00 40.44 N +ATOM 83 CA VAL A 11 52.287 4.053 28.779 1.00 40.03 C +ATOM 84 C VAL A 11 52.197 2.565 28.521 1.00 40.67 C +ATOM 85 O VAL A 11 52.307 1.777 29.448 1.00 40.33 O +ATOM 86 CB VAL A 11 53.758 4.442 29.079 1.00 39.50 C +ATOM 87 CG1 VAL A 11 54.618 4.187 27.848 1.00 39.72 C +ATOM 88 CG2 VAL A 11 53.847 5.904 29.466 1.00 38.50 C +ATOM 89 N PRO A 12 51.963 2.171 27.257 1.00 41.71 N +ATOM 90 CA PRO A 12 51.848 0.771 26.838 1.00 42.42 C +ATOM 91 C PRO A 12 53.239 0.155 26.770 1.00 43.52 C +ATOM 92 O PRO A 12 53.647 -0.401 25.736 1.00 43.60 O +ATOM 93 CB PRO A 12 51.162 0.889 25.474 1.00 42.31 C +ATOM 94 CG PRO A 12 51.713 2.158 24.938 1.00 41.48 C +ATOM 95 CD PRO A 12 51.725 3.083 26.118 1.00 41.73 C +ATOM 96 N PHE A 13 53.950 0.261 27.891 1.00 44.30 N +ATOM 97 CA PHE A 13 55.333 -0.212 28.016 1.00 45.02 C +ATOM 98 C PHE A 13 55.626 -0.516 29.474 1.00 45.44 C +ATOM 99 O PHE A 13 55.219 0.232 30.362 1.00 45.49 O +ATOM 100 CB PHE A 13 56.288 0.887 27.537 1.00 45.01 C +ATOM 101 CG PHE A 13 57.681 0.418 27.230 1.00 44.78 C +ATOM 102 CD1 PHE A 13 57.982 -0.149 25.984 1.00 44.85 C +ATOM 103 CD2 PHE A 13 58.708 0.603 28.151 1.00 44.32 C +ATOM 104 CE1 PHE A 13 59.290 -0.516 25.652 1.00 44.22 C +ATOM 105 CE2 PHE A 13 60.016 0.241 27.835 1.00 44.63 C +ATOM 106 CZ PHE A 13 60.311 -0.319 26.581 1.00 44.72 C +ATOM 107 N SER A 14 56.354 -1.599 29.707 1.00 46.54 N +ATOM 108 CA SER A 14 56.692 -2.019 31.054 1.00 48.31 C +ATOM 109 C SER A 14 57.785 -1.128 31.617 1.00 49.77 C +ATOM 110 O SER A 14 58.592 -0.602 30.850 1.00 50.78 O +ATOM 111 CB SER A 14 57.167 -3.471 31.024 1.00 48.20 C +ATOM 112 OG SER A 14 57.246 -4.016 32.331 1.00 49.87 O +ATOM 113 N ASN A 15 57.810 -0.956 32.939 1.00 50.94 N +ATOM 114 CA ASN A 15 58.832 -0.135 33.587 1.00 51.08 C +ATOM 115 C ASN A 15 59.731 -1.029 34.442 1.00 52.19 C +ATOM 116 O ASN A 15 60.247 -0.577 35.471 1.00 51.78 O +ATOM 117 CB ASN A 15 58.179 0.945 34.454 1.00 49.76 C +ATOM 118 CG ASN A 15 59.129 2.060 34.782 1.00 48.97 C +ATOM 119 OD1 ASN A 15 59.832 2.525 33.907 1.00 48.34 O +ATOM 120 ND2 ASN A 15 59.162 2.507 36.028 1.00 49.20 N +ATOM 121 N LYS A 16 59.905 -2.287 34.011 1.00 54.04 N +ATOM 122 CA LYS A 16 60.736 -3.271 34.718 1.00 54.63 C +ATOM 123 C LYS A 16 62.155 -2.805 34.704 1.00 53.69 C +ATOM 124 O LYS A 16 62.926 -3.142 35.605 1.00 54.46 O +ATOM 125 CB LYS A 16 60.673 -4.654 34.057 1.00 56.68 C +ATOM 126 CG LYS A 16 61.525 -5.686 34.800 1.00 59.57 C +ATOM 127 CD LYS A 16 61.731 -7.015 34.055 1.00 62.10 C +ATOM 128 CE LYS A 16 62.625 -7.964 34.882 1.00 63.44 C +ATOM 129 NZ LYS A 16 62.719 -9.361 34.344 1.00 65.65 N +ATOM 130 N THR A 17 62.505 -2.039 33.681 1.00 53.00 N +ATOM 131 CA THR A 17 63.848 -1.499 33.561 1.00 52.95 C +ATOM 132 C THR A 17 63.832 -0.043 33.975 1.00 53.31 C +ATOM 133 O THR A 17 64.803 0.688 33.740 1.00 53.66 O +ATOM 134 CB THR A 17 64.328 -1.586 32.141 1.00 52.62 C +ATOM 135 OG1 THR A 17 63.554 -0.691 31.322 1.00 52.87 O +ATOM 136 CG2 THR A 17 64.176 -3.017 31.650 1.00 51.94 C +ATOM 137 N GLY A 18 62.723 0.374 34.580 1.00 53.38 N +ATOM 138 CA GLY A 18 62.572 1.744 35.044 1.00 52.55 C +ATOM 139 C GLY A 18 62.947 2.804 34.031 1.00 51.61 C +ATOM 140 O GLY A 18 63.367 3.885 34.408 1.00 52.42 O +ATOM 141 N VAL A 19 62.776 2.495 32.750 1.00 49.71 N +ATOM 142 CA VAL A 19 63.112 3.416 31.681 1.00 48.40 C +ATOM 143 C VAL A 19 61.884 4.252 31.278 1.00 47.06 C +ATOM 144 O VAL A 19 62.037 5.215 30.556 1.00 47.82 O +ATOM 145 CB VAL A 19 63.685 2.624 30.456 1.00 48.02 C +ATOM 146 CG1 VAL A 19 62.599 1.837 29.786 1.00 48.55 C +ATOM 147 CG2 VAL A 19 64.329 3.553 29.470 1.00 49.03 C +ATOM 148 N VAL A 20 60.694 3.915 31.768 1.00 45.15 N +ATOM 149 CA VAL A 20 59.478 4.646 31.398 1.00 43.79 C +ATOM 150 C VAL A 20 59.423 6.007 32.066 1.00 44.16 C +ATOM 151 O VAL A 20 59.819 6.127 33.209 1.00 44.75 O +ATOM 152 CB VAL A 20 58.205 3.833 31.756 1.00 43.31 C +ATOM 153 CG1 VAL A 20 56.961 4.658 31.467 1.00 42.50 C +ATOM 154 CG2 VAL A 20 58.164 2.530 30.955 1.00 42.41 C +ATOM 155 N ARG A 21 58.911 7.015 31.352 1.00 44.75 N +ATOM 156 CA ARG A 21 58.828 8.402 31.848 1.00 44.75 C +ATOM 157 C ARG A 21 57.547 9.106 31.407 1.00 42.99 C +ATOM 158 O ARG A 21 57.187 8.988 30.241 1.00 42.68 O +ATOM 159 CB ARG A 21 60.010 9.191 31.307 1.00 46.93 C +ATOM 160 CG ARG A 21 61.353 8.607 31.683 1.00 51.12 C +ATOM 161 CD ARG A 21 62.197 9.698 32.291 1.00 54.40 C +ATOM 162 NE ARG A 21 61.432 10.420 33.309 1.00 57.11 N +ATOM 163 CZ ARG A 21 61.717 11.653 33.734 1.00 58.83 C +ATOM 164 NH1 ARG A 21 62.763 12.312 33.223 1.00 59.50 N +ATOM 165 NH2 ARG A 21 60.949 12.233 34.666 1.00 59.07 N +ATOM 166 N SER A 22 56.903 9.862 32.305 1.00 41.77 N +ATOM 167 CA SER A 22 55.651 10.597 32.008 1.00 41.01 C +ATOM 168 C SER A 22 55.704 11.282 30.658 1.00 40.64 C +ATOM 169 O SER A 22 56.594 12.087 30.430 1.00 41.06 O +ATOM 170 CB SER A 22 55.389 11.662 33.072 1.00 41.13 C +ATOM 171 OG SER A 22 54.229 12.418 32.757 1.00 42.28 O +ATOM 172 N PRO A 23 54.732 11.009 29.760 1.00 40.80 N +ATOM 173 CA PRO A 23 54.726 11.630 28.430 1.00 40.56 C +ATOM 174 C PRO A 23 54.341 13.082 28.483 1.00 41.56 C +ATOM 175 O PRO A 23 54.016 13.667 27.469 1.00 43.00 O +ATOM 176 CB PRO A 23 53.735 10.777 27.663 1.00 39.64 C +ATOM 177 CG PRO A 23 52.723 10.464 28.702 1.00 38.93 C +ATOM 178 CD PRO A 23 53.532 10.174 29.948 1.00 39.84 C +ATOM 179 N PHE A 24 54.360 13.647 29.686 1.00 42.39 N +ATOM 180 CA PHE A 24 54.078 15.063 29.913 1.00 42.72 C +ATOM 181 C PHE A 24 55.315 15.645 30.541 1.00 44.07 C +ATOM 182 O PHE A 24 55.250 16.738 31.071 1.00 45.15 O +ATOM 183 CB PHE A 24 52.938 15.260 30.909 1.00 41.45 C +ATOM 184 CG PHE A 24 51.590 14.858 30.397 1.00 40.52 C +ATOM 185 CD1 PHE A 24 51.072 15.428 29.239 1.00 39.67 C +ATOM 186 CD2 PHE A 24 50.818 13.943 31.102 1.00 39.26 C +ATOM 187 CE1 PHE A 24 49.808 15.099 28.794 1.00 39.12 C +ATOM 188 CE2 PHE A 24 49.552 13.605 30.665 1.00 38.85 C +ATOM 189 CZ PHE A 24 49.046 14.186 29.508 1.00 39.03 C +ATOM 190 N GLU A 25 56.429 14.918 30.486 1.00 44.94 N +ATOM 191 CA GLU A 25 57.647 15.378 31.113 1.00 45.77 C +ATOM 192 C GLU A 25 58.918 14.995 30.361 1.00 45.53 C +ATOM 193 O GLU A 25 59.924 15.683 30.529 1.00 46.05 O +ATOM 194 CB GLU A 25 57.708 14.825 32.526 1.00 48.16 C +ATOM 195 CG GLU A 25 56.917 15.584 33.548 1.00 52.84 C +ATOM 196 CD GLU A 25 56.531 14.693 34.719 1.00 57.72 C +ATOM 197 OE1 GLU A 25 57.301 13.750 35.062 1.00 59.35 O +ATOM 198 OE2 GLU A 25 55.446 14.935 35.303 1.00 60.82 O +ATOM 199 N ALA A 26 58.924 13.930 29.564 1.00 44.99 N +ATOM 200 CA ALA A 26 60.165 13.571 28.858 1.00 44.91 C +ATOM 201 C ALA A 26 59.896 12.837 27.550 1.00 44.95 C +ATOM 202 O ALA A 26 58.817 12.291 27.380 1.00 45.80 O +ATOM 203 CB ALA A 26 61.046 12.712 29.765 1.00 44.63 C +ATOM 204 N PRO A 27 60.866 12.836 26.606 1.00 44.41 N +ATOM 205 CA PRO A 27 60.715 12.152 25.320 1.00 44.33 C +ATOM 206 C PRO A 27 60.406 10.708 25.576 1.00 44.85 C +ATOM 207 O PRO A 27 60.808 10.194 26.609 1.00 45.98 O +ATOM 208 CB PRO A 27 62.080 12.331 24.674 1.00 43.15 C +ATOM 209 CG PRO A 27 62.468 13.651 25.137 1.00 42.69 C +ATOM 210 CD PRO A 27 62.109 13.619 26.604 1.00 43.52 C +ATOM 211 N GLN A 28 59.715 10.059 24.641 1.00 45.43 N +ATOM 212 CA GLN A 28 59.331 8.658 24.776 1.00 45.56 C +ATOM 213 C GLN A 28 60.120 7.781 23.799 1.00 46.39 C +ATOM 214 O GLN A 28 59.625 6.738 23.392 1.00 46.18 O +ATOM 215 CB GLN A 28 57.828 8.535 24.505 1.00 44.55 C +ATOM 216 CG GLN A 28 56.966 9.492 25.319 1.00 43.69 C +ATOM 217 CD GLN A 28 56.926 9.146 26.804 1.00 44.58 C +ATOM 218 OE1 GLN A 28 56.602 8.027 27.172 1.00 46.04 O +ATOM 219 NE2 GLN A 28 57.247 10.108 27.660 1.00 44.47 N +ATOM 220 N TYR A 29 61.344 8.173 23.459 1.00 47.80 N +ATOM 221 CA TYR A 29 62.138 7.425 22.485 1.00 49.27 C +ATOM 222 C TYR A 29 62.484 6.064 22.939 1.00 49.23 C +ATOM 223 O TYR A 29 63.082 5.310 22.189 1.00 50.24 O +ATOM 224 CB TYR A 29 63.405 8.189 22.124 1.00 50.88 C +ATOM 225 CG TYR A 29 63.067 9.537 21.556 1.00 52.45 C +ATOM 226 CD1 TYR A 29 61.981 9.687 20.703 1.00 53.03 C +ATOM 227 CD2 TYR A 29 63.785 10.669 21.913 1.00 53.07 C +ATOM 228 CE1 TYR A 29 61.609 10.919 20.227 1.00 53.77 C +ATOM 229 CE2 TYR A 29 63.422 11.917 21.435 1.00 54.32 C +ATOM 230 CZ TYR A 29 62.330 12.036 20.592 1.00 54.49 C +ATOM 231 OH TYR A 29 61.960 13.271 20.101 1.00 55.76 O +ATOM 232 N TYR A 30 62.125 5.725 24.159 1.00 48.54 N +ATOM 233 CA TYR A 30 62.433 4.402 24.617 1.00 48.23 C +ATOM 234 C TYR A 30 61.305 3.496 24.187 1.00 48.90 C +ATOM 235 O TYR A 30 61.389 2.304 24.393 1.00 50.63 O +ATOM 236 CB TYR A 30 62.600 4.419 26.136 1.00 47.12 C +ATOM 237 CG TYR A 30 61.363 4.854 26.851 1.00 45.37 C +ATOM 238 CD1 TYR A 30 60.302 3.979 27.005 1.00 45.53 C +ATOM 239 CD2 TYR A 30 61.223 6.153 27.324 1.00 45.07 C +ATOM 240 CE1 TYR A 30 59.129 4.378 27.603 1.00 45.82 C +ATOM 241 CE2 TYR A 30 60.041 6.569 27.936 1.00 44.88 C +ATOM 242 CZ TYR A 30 58.999 5.666 28.066 1.00 45.10 C +ATOM 243 OH TYR A 30 57.805 6.014 28.647 1.00 45.98 O +ATOM 244 N LEU A 31 60.262 4.072 23.589 1.00 49.37 N +ATOM 245 CA LEU A 31 59.087 3.329 23.116 1.00 49.46 C +ATOM 246 C LEU A 31 59.256 2.971 21.676 1.00 50.18 C +ATOM 247 O LEU A 31 58.658 2.005 21.199 1.00 50.31 O +ATOM 248 CB LEU A 31 57.832 4.188 23.165 1.00 48.71 C +ATOM 249 CG LEU A 31 57.191 4.654 24.449 1.00 47.86 C +ATOM 250 CD1 LEU A 31 55.960 5.418 24.083 1.00 48.50 C +ATOM 251 CD2 LEU A 31 56.826 3.480 25.315 1.00 49.10 C +ATOM 252 N ALA A 32 60.037 3.786 20.978 1.00 51.31 N +ATOM 253 CA ALA A 32 60.261 3.617 19.558 1.00 52.13 C +ATOM 254 C ALA A 32 61.471 4.419 19.137 1.00 52.81 C +ATOM 255 O ALA A 32 61.936 5.278 19.885 1.00 53.90 O +ATOM 256 CB ALA A 32 59.030 4.098 18.803 1.00 52.26 C +ATOM 257 N GLU A 33 61.964 4.152 17.932 1.00 53.21 N +ATOM 258 CA GLU A 33 63.119 4.851 17.385 1.00 53.37 C +ATOM 259 C GLU A 33 62.800 6.314 17.187 1.00 53.01 C +ATOM 260 O GLU A 33 61.661 6.665 16.872 1.00 53.66 O +ATOM 261 CB GLU A 33 63.494 4.241 16.045 1.00 55.32 C +ATOM 262 CG GLU A 33 63.499 2.755 16.104 1.00 60.15 C +ATOM 263 CD GLU A 33 64.373 2.274 17.232 1.00 63.21 C +ATOM 264 OE1 GLU A 33 65.610 2.358 17.067 1.00 65.05 O +ATOM 265 OE2 GLU A 33 63.833 1.838 18.285 1.00 65.24 O +ATOM 266 N PRO A 34 63.793 7.197 17.374 1.00 52.11 N +ATOM 267 CA PRO A 34 63.543 8.626 17.189 1.00 51.15 C +ATOM 268 C PRO A 34 63.112 9.007 15.777 1.00 51.04 C +ATOM 269 O PRO A 34 62.327 9.949 15.614 1.00 52.47 O +ATOM 270 CB PRO A 34 64.869 9.251 17.599 1.00 50.49 C +ATOM 271 CG PRO A 34 65.290 8.358 18.716 1.00 50.93 C +ATOM 272 CD PRO A 34 65.045 6.987 18.127 1.00 51.49 C +ATOM 273 N TRP A 35 63.589 8.287 14.765 1.00 50.33 N +ATOM 274 CA TRP A 35 63.213 8.603 13.389 1.00 49.69 C +ATOM 275 C TRP A 35 61.724 8.407 13.166 1.00 49.03 C +ATOM 276 O TRP A 35 61.135 9.090 12.330 1.00 49.88 O +ATOM 277 CB TRP A 35 63.991 7.742 12.390 1.00 50.26 C +ATOM 278 CG TRP A 35 63.684 6.279 12.420 1.00 49.95 C +ATOM 279 CD1 TRP A 35 64.343 5.317 13.124 1.00 50.75 C +ATOM 280 CD2 TRP A 35 62.660 5.605 11.681 1.00 50.07 C +ATOM 281 NE1 TRP A 35 63.798 4.078 12.866 1.00 50.41 N +ATOM 282 CE2 TRP A 35 62.763 4.229 11.983 1.00 49.98 C +ATOM 283 CE3 TRP A 35 61.668 6.030 10.792 1.00 50.78 C +ATOM 284 CZ2 TRP A 35 61.914 3.277 11.428 1.00 50.01 C +ATOM 285 CZ3 TRP A 35 60.822 5.082 10.240 1.00 50.53 C +ATOM 286 CH2 TRP A 35 60.951 3.721 10.560 1.00 50.23 C +ATOM 287 N GLN A 36 61.123 7.482 13.904 1.00 47.39 N +ATOM 288 CA GLN A 36 59.707 7.207 13.778 1.00 45.84 C +ATOM 289 C GLN A 36 58.915 8.385 14.301 1.00 44.09 C +ATOM 290 O GLN A 36 57.848 8.663 13.803 1.00 43.39 O +ATOM 291 CB GLN A 36 59.390 5.919 14.526 1.00 47.26 C +ATOM 292 CG GLN A 36 60.213 4.738 13.997 1.00 49.06 C +ATOM 293 CD GLN A 36 59.927 3.422 14.708 1.00 50.37 C +ATOM 294 OE1 GLN A 36 60.240 3.254 15.883 1.00 51.24 O +ATOM 295 NE2 GLN A 36 59.327 2.480 13.985 1.00 51.74 N +ATOM 296 N PHE A 37 59.426 9.088 15.296 1.00 42.51 N +ATOM 297 CA PHE A 37 58.703 10.249 15.755 1.00 41.69 C +ATOM 298 C PHE A 37 58.813 11.294 14.690 1.00 42.67 C +ATOM 299 O PHE A 37 57.878 12.051 14.491 1.00 43.09 O +ATOM 300 CB PHE A 37 59.285 10.795 17.038 1.00 41.03 C +ATOM 301 CG PHE A 37 58.918 10.006 18.239 1.00 40.89 C +ATOM 302 CD1 PHE A 37 59.589 8.841 18.553 1.00 42.12 C +ATOM 303 CD2 PHE A 37 57.881 10.413 19.053 1.00 40.26 C +ATOM 304 CE1 PHE A 37 59.228 8.093 19.664 1.00 41.77 C +ATOM 305 CE2 PHE A 37 57.515 9.676 20.159 1.00 40.28 C +ATOM 306 CZ PHE A 37 58.186 8.519 20.466 1.00 41.93 C +ATOM 307 N SER A 38 59.958 11.336 14.007 1.00 43.24 N +ATOM 308 CA SER A 38 60.202 12.297 12.924 1.00 43.83 C +ATOM 309 C SER A 38 59.207 12.064 11.819 1.00 44.03 C +ATOM 310 O SER A 38 58.798 12.997 11.127 1.00 43.65 O +ATOM 311 CB SER A 38 61.613 12.116 12.372 1.00 44.42 C +ATOM 312 OG SER A 38 62.578 12.342 13.381 1.00 45.67 O +ATOM 313 N MET A 39 58.852 10.797 11.652 1.00 44.42 N +ATOM 314 CA MET A 39 57.880 10.365 10.672 1.00 45.11 C +ATOM 315 C MET A 39 56.569 11.008 11.016 1.00 43.72 C +ATOM 316 O MET A 39 55.965 11.657 10.169 1.00 43.83 O +ATOM 317 CB MET A 39 57.726 8.857 10.749 1.00 49.83 C +ATOM 318 CG MET A 39 58.821 8.082 10.078 1.00 55.09 C +ATOM 319 SD MET A 39 58.428 7.998 8.334 1.00 64.91 S +ATOM 320 CE MET A 39 59.203 9.645 7.679 1.00 61.65 C +ATOM 321 N LEU A 40 56.126 10.812 12.256 1.00 41.69 N +ATOM 322 CA LEU A 40 54.883 11.397 12.726 1.00 39.43 C +ATOM 323 C LEU A 40 54.941 12.869 12.486 1.00 39.28 C +ATOM 324 O LEU A 40 53.994 13.427 11.947 1.00 39.74 O +ATOM 325 CB LEU A 40 54.710 11.156 14.218 1.00 38.47 C +ATOM 326 CG LEU A 40 54.629 9.703 14.663 1.00 37.65 C +ATOM 327 CD1 LEU A 40 54.509 9.621 16.174 1.00 36.12 C +ATOM 328 CD2 LEU A 40 53.443 9.071 13.996 1.00 36.72 C +ATOM 329 N ALA A 41 56.058 13.490 12.869 1.00 38.51 N +ATOM 330 CA ALA A 41 56.248 14.930 12.709 1.00 38.38 C +ATOM 331 C ALA A 41 56.185 15.316 11.245 1.00 38.70 C +ATOM 332 O ALA A 41 55.431 16.217 10.886 1.00 39.91 O +ATOM 333 CB ALA A 41 57.568 15.358 13.316 1.00 37.42 C +ATOM 334 N ALA A 42 56.970 14.655 10.401 1.00 38.10 N +ATOM 335 CA ALA A 42 56.963 14.953 8.971 1.00 37.99 C +ATOM 336 C ALA A 42 55.532 14.826 8.451 1.00 38.10 C +ATOM 337 O ALA A 42 55.035 15.692 7.747 1.00 38.96 O +ATOM 338 CB ALA A 42 57.867 13.978 8.243 1.00 37.25 C +ATOM 339 N TYR A 43 54.882 13.732 8.821 1.00 38.21 N +ATOM 340 CA TYR A 43 53.511 13.441 8.435 1.00 38.19 C +ATOM 341 C TYR A 43 52.536 14.547 8.875 1.00 39.26 C +ATOM 342 O TYR A 43 51.799 15.103 8.040 1.00 39.81 O +ATOM 343 CB TYR A 43 53.117 12.121 9.067 1.00 36.82 C +ATOM 344 CG TYR A 43 51.668 11.756 8.935 1.00 35.03 C +ATOM 345 CD1 TYR A 43 51.130 11.391 7.712 1.00 35.25 C +ATOM 346 CD2 TYR A 43 50.857 11.683 10.058 1.00 35.02 C +ATOM 347 CE1 TYR A 43 49.820 10.941 7.616 1.00 35.63 C +ATOM 348 CE2 TYR A 43 49.551 11.243 9.982 1.00 35.31 C +ATOM 349 CZ TYR A 43 49.039 10.862 8.762 1.00 36.38 C +ATOM 350 OH TYR A 43 47.766 10.328 8.707 1.00 38.88 O +ATOM 351 N MET A 44 52.507 14.863 10.169 1.00 39.54 N +ATOM 352 CA MET A 44 51.590 15.896 10.653 1.00 39.27 C +ATOM 353 C MET A 44 51.838 17.168 9.921 1.00 40.04 C +ATOM 354 O MET A 44 50.926 17.948 9.709 1.00 39.78 O +ATOM 355 CB MET A 44 51.761 16.131 12.150 1.00 38.24 C +ATOM 356 CG MET A 44 51.219 15.010 13.012 1.00 39.39 C +ATOM 357 SD MET A 44 49.615 14.319 12.414 1.00 42.50 S +ATOM 358 CE MET A 44 48.565 15.793 12.245 1.00 40.90 C +ATOM 359 N PHE A 45 53.083 17.379 9.532 1.00 40.44 N +ATOM 360 CA PHE A 45 53.430 18.575 8.820 1.00 41.68 C +ATOM 361 C PHE A 45 52.747 18.605 7.457 1.00 42.48 C +ATOM 362 O PHE A 45 52.119 19.616 7.119 1.00 42.51 O +ATOM 363 CB PHE A 45 54.938 18.646 8.638 1.00 43.09 C +ATOM 364 CG PHE A 45 55.374 19.750 7.720 1.00 44.36 C +ATOM 365 CD1 PHE A 45 55.552 21.035 8.197 1.00 45.21 C +ATOM 366 CD2 PHE A 45 55.553 19.511 6.357 1.00 45.08 C +ATOM 367 CE1 PHE A 45 55.899 22.066 7.334 1.00 46.18 C +ATOM 368 CE2 PHE A 45 55.900 20.538 5.485 1.00 45.37 C +ATOM 369 CZ PHE A 45 56.073 21.815 5.970 1.00 45.74 C +ATOM 370 N LEU A 46 52.872 17.524 6.679 1.00 42.88 N +ATOM 371 CA LEU A 46 52.277 17.452 5.333 1.00 43.04 C +ATOM 372 C LEU A 46 50.786 17.547 5.395 1.00 43.92 C +ATOM 373 O LEU A 46 50.198 18.142 4.495 1.00 45.21 O +ATOM 374 CB LEU A 46 52.652 16.157 4.628 1.00 42.25 C +ATOM 375 CG LEU A 46 54.142 15.948 4.372 1.00 41.88 C +ATOM 376 CD1 LEU A 46 54.372 14.584 3.706 1.00 40.66 C +ATOM 377 CD2 LEU A 46 54.659 17.091 3.513 1.00 41.13 C +ATOM 378 N LEU A 47 50.172 16.953 6.425 1.00 44.06 N +ATOM 379 CA LEU A 47 48.713 17.013 6.612 1.00 43.95 C +ATOM 380 C LEU A 47 48.253 18.466 6.861 1.00 44.22 C +ATOM 381 O LEU A 47 47.184 18.866 6.406 1.00 44.58 O +ATOM 382 CB LEU A 47 48.273 16.162 7.815 1.00 43.00 C +ATOM 383 CG LEU A 47 47.751 14.736 7.677 1.00 41.74 C +ATOM 384 CD1 LEU A 47 47.138 14.306 9.018 1.00 41.03 C +ATOM 385 CD2 LEU A 47 46.702 14.664 6.591 1.00 41.45 C +ATOM 386 N ILE A 48 49.035 19.242 7.603 1.00 44.86 N +ATOM 387 CA ILE A 48 48.662 20.616 7.875 1.00 45.04 C +ATOM 388 C ILE A 48 48.820 21.416 6.613 1.00 45.85 C +ATOM 389 O ILE A 48 48.043 22.320 6.372 1.00 46.88 O +ATOM 390 CB ILE A 48 49.530 21.215 8.998 1.00 44.97 C +ATOM 391 CG1 ILE A 48 49.202 20.514 10.317 1.00 45.10 C +ATOM 392 CG2 ILE A 48 49.287 22.706 9.109 1.00 43.90 C +ATOM 393 CD1 ILE A 48 50.081 20.897 11.472 1.00 44.94 C +ATOM 394 N MET A 49 49.799 21.064 5.791 1.00 46.45 N +ATOM 395 CA MET A 49 50.048 21.782 4.544 1.00 47.22 C +ATOM 396 C MET A 49 48.975 21.500 3.491 1.00 46.97 C +ATOM 397 O MET A 49 48.766 22.319 2.593 1.00 46.84 O +ATOM 398 CB MET A 49 51.426 21.407 4.012 1.00 48.66 C +ATOM 399 CG MET A 49 51.777 22.105 2.744 1.00 50.95 C +ATOM 400 SD MET A 49 53.529 22.137 2.566 1.00 55.48 S +ATOM 401 CE MET A 49 53.893 23.393 3.818 1.00 55.02 C +ATOM 402 N LEU A 50 48.315 20.351 3.595 1.00 46.90 N +ATOM 403 CA LEU A 50 47.246 19.952 2.673 1.00 46.07 C +ATOM 404 C LEU A 50 45.904 20.379 3.223 1.00 45.63 C +ATOM 405 O LEU A 50 45.088 20.933 2.507 1.00 45.93 O +ATOM 406 CB LEU A 50 47.220 18.436 2.515 1.00 46.86 C +ATOM 407 CG LEU A 50 47.988 17.804 1.370 1.00 47.61 C +ATOM 408 CD1 LEU A 50 48.027 16.299 1.554 1.00 47.21 C +ATOM 409 CD2 LEU A 50 47.311 18.196 0.064 1.00 48.87 C +ATOM 410 N GLY A 51 45.691 20.102 4.505 1.00 45.22 N +ATOM 411 CA GLY A 51 44.435 20.420 5.156 1.00 44.90 C +ATOM 412 C GLY A 51 44.049 21.871 5.256 1.00 44.75 C +ATOM 413 O GLY A 51 42.870 22.199 5.207 1.00 44.76 O +ATOM 414 N PHE A 52 45.032 22.746 5.412 1.00 45.13 N +ATOM 415 CA PHE A 52 44.713 24.152 5.517 1.00 45.65 C +ATOM 416 C PHE A 52 44.201 24.678 4.186 1.00 45.91 C +ATOM 417 O PHE A 52 43.029 25.083 4.107 1.00 45.90 O +ATOM 418 CB PHE A 52 45.916 24.974 5.976 1.00 46.43 C +ATOM 419 CG PHE A 52 45.694 26.449 5.846 1.00 48.61 C +ATOM 420 CD1 PHE A 52 44.473 27.017 6.255 1.00 49.02 C +ATOM 421 CD2 PHE A 52 46.650 27.264 5.240 1.00 49.50 C +ATOM 422 CE1 PHE A 52 44.200 28.375 6.053 1.00 49.51 C +ATOM 423 CE2 PHE A 52 46.388 28.628 5.031 1.00 50.33 C +ATOM 424 CZ PHE A 52 45.155 29.182 5.438 1.00 49.77 C +ATOM 425 N PRO A 53 45.045 24.669 3.123 1.00 45.76 N +ATOM 426 CA PRO A 53 44.569 25.176 1.829 1.00 45.16 C +ATOM 427 C PRO A 53 43.280 24.546 1.317 1.00 45.13 C +ATOM 428 O PRO A 53 42.361 25.270 0.954 1.00 46.49 O +ATOM 429 CB PRO A 53 45.765 24.937 0.894 1.00 44.98 C +ATOM 430 CG PRO A 53 46.507 23.808 1.528 1.00 44.93 C +ATOM 431 CD PRO A 53 46.424 24.155 3.000 1.00 45.16 C +ATOM 432 N ILE A 54 43.195 23.220 1.313 1.00 44.04 N +ATOM 433 CA ILE A 54 42.011 22.517 0.810 1.00 42.97 C +ATOM 434 C ILE A 54 40.750 22.872 1.563 1.00 42.53 C +ATOM 435 O ILE A 54 39.717 23.037 0.949 1.00 41.95 O +ATOM 436 CB ILE A 54 42.215 20.968 0.850 1.00 43.05 C +ATOM 437 CG1 ILE A 54 43.234 20.555 -0.226 1.00 44.10 C +ATOM 438 CG2 ILE A 54 40.887 20.264 0.639 1.00 42.79 C +ATOM 439 CD1 ILE A 54 43.793 19.149 -0.115 1.00 43.42 C +ATOM 440 N ASN A 55 40.829 22.991 2.881 1.00 42.93 N +ATOM 441 CA ASN A 55 39.651 23.294 3.669 1.00 43.96 C +ATOM 442 C ASN A 55 39.294 24.752 3.612 1.00 44.87 C +ATOM 443 O ASN A 55 38.102 25.083 3.615 1.00 44.95 O +ATOM 444 CB ASN A 55 39.861 22.838 5.108 1.00 43.31 C +ATOM 445 CG ASN A 55 39.597 21.357 5.282 1.00 43.14 C +ATOM 446 OD1 ASN A 55 38.467 20.899 5.108 1.00 43.36 O +ATOM 447 ND2 ASN A 55 40.635 20.597 5.613 1.00 42.94 N +ATOM 448 N PHE A 56 40.295 25.627 3.561 1.00 45.63 N +ATOM 449 CA PHE A 56 40.019 27.058 3.489 1.00 46.70 C +ATOM 450 C PHE A 56 39.431 27.412 2.119 1.00 47.32 C +ATOM 451 O PHE A 56 38.491 28.211 2.036 1.00 47.65 O +ATOM 452 CB PHE A 56 41.286 27.886 3.718 1.00 46.89 C +ATOM 453 CG PHE A 56 41.034 29.359 3.661 1.00 47.40 C +ATOM 454 CD1 PHE A 56 40.389 30.008 4.713 1.00 48.11 C +ATOM 455 CD2 PHE A 56 41.328 30.088 2.507 1.00 47.41 C +ATOM 456 CE1 PHE A 56 40.034 31.362 4.610 1.00 47.76 C +ATOM 457 CE2 PHE A 56 40.972 31.447 2.395 1.00 46.49 C +ATOM 458 CZ PHE A 56 40.327 32.079 3.441 1.00 47.16 C +ATOM 459 N LEU A 57 39.993 26.829 1.062 1.00 47.21 N +ATOM 460 CA LEU A 57 39.537 27.053 -0.310 1.00 47.39 C +ATOM 461 C LEU A 57 38.080 26.645 -0.409 1.00 47.92 C +ATOM 462 O LEU A 57 37.267 27.389 -0.923 1.00 49.30 O +ATOM 463 CB LEU A 57 40.369 26.204 -1.265 1.00 47.19 C +ATOM 464 CG LEU A 57 40.606 26.676 -2.686 1.00 46.88 C +ATOM 465 CD1 LEU A 57 40.678 25.449 -3.565 1.00 48.01 C +ATOM 466 CD2 LEU A 57 39.489 27.589 -3.143 1.00 47.33 C +ATOM 467 N THR A 58 37.766 25.453 0.087 1.00 47.99 N +ATOM 468 CA THR A 58 36.406 24.912 0.098 1.00 47.06 C +ATOM 469 C THR A 58 35.471 25.905 0.742 1.00 47.93 C +ATOM 470 O THR A 58 34.384 26.186 0.245 1.00 48.07 O +ATOM 471 CB THR A 58 36.339 23.643 0.937 1.00 46.49 C +ATOM 472 OG1 THR A 58 37.081 22.602 0.300 1.00 45.36 O +ATOM 473 CG2 THR A 58 34.902 23.217 1.130 1.00 46.10 C +ATOM 474 N LEU A 59 35.908 26.411 1.881 1.00 49.29 N +ATOM 475 CA LEU A 59 35.161 27.379 2.658 1.00 50.60 C +ATOM 476 C LEU A 59 34.949 28.671 1.868 1.00 51.13 C +ATOM 477 O LEU A 59 33.832 29.172 1.789 1.00 50.82 O +ATOM 478 CB LEU A 59 35.945 27.650 3.935 1.00 51.06 C +ATOM 479 CG LEU A 59 35.625 28.919 4.703 1.00 51.08 C +ATOM 480 CD1 LEU A 59 34.196 28.872 5.209 1.00 51.10 C +ATOM 481 CD2 LEU A 59 36.621 29.034 5.848 1.00 51.43 C +ATOM 482 N TYR A 60 36.022 29.192 1.282 1.00 51.69 N +ATOM 483 CA TYR A 60 35.964 30.433 0.521 1.00 51.92 C +ATOM 484 C TYR A 60 35.049 30.292 -0.682 1.00 51.11 C +ATOM 485 O TYR A 60 34.232 31.165 -0.936 1.00 51.40 O +ATOM 486 CB TYR A 60 37.379 30.824 0.086 1.00 53.48 C +ATOM 487 CG TYR A 60 37.521 32.209 -0.511 1.00 55.64 C +ATOM 488 CD1 TYR A 60 37.026 32.502 -1.783 1.00 57.21 C +ATOM 489 CD2 TYR A 60 38.157 33.233 0.198 1.00 57.36 C +ATOM 490 CE1 TYR A 60 37.162 33.793 -2.339 1.00 59.13 C +ATOM 491 CE2 TYR A 60 38.302 34.527 -0.345 1.00 58.91 C +ATOM 492 CZ TYR A 60 37.799 34.802 -1.611 1.00 59.55 C +ATOM 493 OH TYR A 60 37.912 36.077 -2.139 1.00 59.68 O +ATOM 494 N VAL A 61 35.159 29.204 -1.421 1.00 49.86 N +ATOM 495 CA VAL A 61 34.306 29.048 -2.582 1.00 49.23 C +ATOM 496 C VAL A 61 32.830 29.017 -2.179 1.00 50.23 C +ATOM 497 O VAL A 61 32.022 29.742 -2.754 1.00 50.34 O +ATOM 498 CB VAL A 61 34.676 27.773 -3.369 1.00 47.84 C +ATOM 499 CG1 VAL A 61 33.586 27.446 -4.395 1.00 46.90 C +ATOM 500 CG2 VAL A 61 36.018 27.984 -4.073 1.00 46.42 C +ATOM 501 N THR A 62 32.484 28.212 -1.182 1.00 51.03 N +ATOM 502 CA THR A 62 31.093 28.080 -0.754 1.00 52.03 C +ATOM 503 C THR A 62 30.473 29.420 -0.465 1.00 53.52 C +ATOM 504 O THR A 62 29.366 29.709 -0.905 1.00 54.27 O +ATOM 505 CB THR A 62 30.982 27.219 0.516 1.00 50.96 C +ATOM 506 OG1 THR A 62 31.647 25.972 0.299 1.00 50.00 O +ATOM 507 CG2 THR A 62 29.523 26.945 0.855 1.00 50.10 C +ATOM 508 N VAL A 63 31.186 30.248 0.272 1.00 54.09 N +ATOM 509 CA VAL A 63 30.656 31.536 0.650 1.00 54.78 C +ATOM 510 C VAL A 63 30.508 32.461 -0.526 1.00 56.02 C +ATOM 511 O VAL A 63 29.432 33.020 -0.741 1.00 56.05 O +ATOM 512 CB VAL A 63 31.554 32.180 1.694 1.00 53.72 C +ATOM 513 CG1 VAL A 63 31.172 33.621 1.888 1.00 53.98 C +ATOM 514 CG2 VAL A 63 31.428 31.425 2.995 1.00 53.21 C +ATOM 515 N GLN A 64 31.581 32.622 -1.284 1.00 57.46 N +ATOM 516 CA GLN A 64 31.587 33.520 -2.429 1.00 58.69 C +ATOM 517 C GLN A 64 30.488 33.246 -3.438 1.00 58.45 C +ATOM 518 O GLN A 64 29.975 34.196 -4.018 1.00 58.89 O +ATOM 519 CB GLN A 64 32.938 33.447 -3.108 1.00 59.96 C +ATOM 520 CG GLN A 64 32.952 33.957 -4.514 1.00 62.27 C +ATOM 521 CD GLN A 64 34.357 33.970 -5.066 1.00 63.48 C +ATOM 522 OE1 GLN A 64 35.168 34.839 -4.711 1.00 64.32 O +ATOM 523 NE2 GLN A 64 34.671 32.992 -5.922 1.00 63.50 N +ATOM 524 N HIS A 65 30.127 31.987 -3.663 1.00 58.02 N +ATOM 525 CA HIS A 65 29.089 31.684 -4.637 1.00 57.75 C +ATOM 526 C HIS A 65 27.749 31.633 -3.981 1.00 57.12 C +ATOM 527 O HIS A 65 27.326 30.612 -3.466 1.00 57.06 O +ATOM 528 CB HIS A 65 29.435 30.395 -5.351 1.00 58.33 C +ATOM 529 CG HIS A 65 30.654 30.519 -6.198 1.00 59.05 C +ATOM 530 ND1 HIS A 65 30.625 30.396 -7.570 1.00 60.95 N +ATOM 531 CD2 HIS A 65 31.930 30.826 -5.874 1.00 58.96 C +ATOM 532 CE1 HIS A 65 31.833 30.618 -8.054 1.00 60.45 C +ATOM 533 NE2 HIS A 65 32.643 30.882 -7.045 1.00 59.58 N +ATOM 534 N LYS A 66 27.079 32.773 -4.042 1.00 57.17 N +ATOM 535 CA LYS A 66 25.783 32.997 -3.422 1.00 57.71 C +ATOM 536 C LYS A 66 24.726 31.956 -3.707 1.00 56.77 C +ATOM 537 O LYS A 66 23.707 31.954 -3.023 1.00 56.67 O +ATOM 538 CB LYS A 66 25.277 34.394 -3.798 1.00 59.76 C +ATOM 539 CG LYS A 66 25.815 35.500 -2.884 1.00 61.99 C +ATOM 540 CD LYS A 66 27.345 35.509 -2.815 1.00 64.98 C +ATOM 541 CE LYS A 66 27.867 36.339 -1.624 1.00 66.82 C +ATOM 542 NZ LYS A 66 29.376 36.392 -1.524 1.00 67.87 N +ATOM 543 N LYS A 67 24.933 31.065 -4.663 1.00 56.05 N +ATOM 544 CA LYS A 67 23.881 30.092 -4.935 1.00 55.60 C +ATOM 545 C LYS A 67 24.197 28.736 -4.347 1.00 54.38 C +ATOM 546 O LYS A 67 23.323 27.886 -4.311 1.00 54.67 O +ATOM 547 CB LYS A 67 23.617 29.973 -6.444 1.00 57.47 C +ATOM 548 CG LYS A 67 23.480 31.325 -7.194 1.00 59.32 C +ATOM 549 CD LYS A 67 22.312 32.210 -6.702 1.00 60.15 C +ATOM 550 CE LYS A 67 20.954 31.525 -6.895 1.00 60.70 C +ATOM 551 NZ LYS A 67 20.772 30.980 -8.287 1.00 60.40 N +ATOM 552 N LEU A 68 25.424 28.517 -3.894 1.00 52.58 N +ATOM 553 CA LEU A 68 25.761 27.234 -3.288 1.00 50.90 C +ATOM 554 C LEU A 68 25.120 27.216 -1.894 1.00 50.80 C +ATOM 555 O LEU A 68 25.815 27.355 -0.886 1.00 50.71 O +ATOM 556 CB LEU A 68 27.285 27.099 -3.198 1.00 49.12 C +ATOM 557 CG LEU A 68 28.065 27.034 -4.514 1.00 46.92 C +ATOM 558 CD1 LEU A 68 29.549 27.218 -4.235 1.00 46.53 C +ATOM 559 CD2 LEU A 68 27.804 25.715 -5.202 1.00 45.78 C +ATOM 560 N ARG A 69 23.800 27.037 -1.840 1.00 50.49 N +ATOM 561 CA ARG A 69 23.087 27.072 -0.561 1.00 51.13 C +ATOM 562 C ARG A 69 22.188 25.868 -0.298 1.00 52.12 C +ATOM 563 O ARG A 69 21.192 26.011 0.419 1.00 52.49 O +ATOM 564 CB ARG A 69 22.255 28.345 -0.497 1.00 49.63 C +ATOM 565 CG ARG A 69 23.087 29.577 -0.650 1.00 47.89 C +ATOM 566 CD ARG A 69 23.937 29.726 0.560 1.00 45.64 C +ATOM 567 NE ARG A 69 24.826 30.874 0.479 1.00 44.55 N +ATOM 568 CZ ARG A 69 26.014 30.867 -0.118 1.00 45.26 C +ATOM 569 NH1 ARG A 69 26.463 29.761 -0.699 1.00 46.04 N +ATOM 570 NH2 ARG A 69 26.768 31.961 -0.110 1.00 44.86 N +ATOM 571 N THR A 70 22.528 24.699 -0.832 1.00 52.18 N +ATOM 572 CA THR A 70 21.717 23.500 -0.609 1.00 52.88 C +ATOM 573 C THR A 70 22.059 22.902 0.737 1.00 53.40 C +ATOM 574 O THR A 70 23.028 23.330 1.369 1.00 54.03 O +ATOM 575 CB THR A 70 21.994 22.429 -1.684 1.00 53.03 C +ATOM 576 OG1 THR A 70 23.349 21.989 -1.600 1.00 52.24 O +ATOM 577 CG2 THR A 70 21.793 23.003 -3.048 1.00 53.58 C +ATOM 578 N PRO A 71 21.272 21.919 1.209 1.00 53.34 N +ATOM 579 CA PRO A 71 21.602 21.327 2.502 1.00 52.72 C +ATOM 580 C PRO A 71 23.014 20.754 2.436 1.00 52.40 C +ATOM 581 O PRO A 71 23.737 20.788 3.426 1.00 52.57 O +ATOM 582 CB PRO A 71 20.535 20.251 2.657 1.00 52.87 C +ATOM 583 CG PRO A 71 19.354 20.888 2.020 1.00 52.95 C +ATOM 584 CD PRO A 71 19.966 21.425 0.739 1.00 53.66 C +ATOM 585 N LEU A 72 23.402 20.254 1.262 1.00 51.28 N +ATOM 586 CA LEU A 72 24.734 19.683 1.060 1.00 50.35 C +ATOM 587 C LEU A 72 25.827 20.753 1.072 1.00 50.75 C +ATOM 588 O LEU A 72 26.909 20.518 1.613 1.00 51.05 O +ATOM 589 CB LEU A 72 24.799 18.931 -0.263 1.00 49.30 C +ATOM 590 CG LEU A 72 26.192 18.367 -0.560 1.00 48.89 C +ATOM 591 CD1 LEU A 72 26.503 17.258 0.421 1.00 48.52 C +ATOM 592 CD2 LEU A 72 26.268 17.832 -1.964 1.00 49.08 C +ATOM 593 N ASN A 73 25.566 21.904 0.462 1.00 50.95 N +ATOM 594 CA ASN A 73 26.550 22.977 0.444 1.00 51.39 C +ATOM 595 C ASN A 73 26.784 23.438 1.867 1.00 51.63 C +ATOM 596 O ASN A 73 27.880 23.910 2.173 1.00 52.65 O +ATOM 597 CB ASN A 73 26.076 24.165 -0.412 1.00 51.88 C +ATOM 598 CG ASN A 73 26.010 23.836 -1.898 1.00 52.44 C +ATOM 599 OD1 ASN A 73 26.941 23.264 -2.463 1.00 52.20 O +ATOM 600 ND2 ASN A 73 24.910 24.214 -2.539 1.00 52.35 N +ATOM 601 N TYR A 74 25.773 23.317 2.727 1.00 50.85 N +ATOM 602 CA TYR A 74 25.919 23.718 4.123 1.00 50.94 C +ATOM 603 C TYR A 74 26.755 22.703 4.866 1.00 51.04 C +ATOM 604 O TYR A 74 27.777 23.065 5.436 1.00 51.67 O +ATOM 605 CB TYR A 74 24.562 23.830 4.804 1.00 50.49 C +ATOM 606 CG TYR A 74 23.913 25.152 4.575 1.00 51.17 C +ATOM 607 CD1 TYR A 74 24.028 26.176 5.508 1.00 51.00 C +ATOM 608 CD2 TYR A 74 23.232 25.411 3.386 1.00 52.42 C +ATOM 609 CE1 TYR A 74 23.481 27.435 5.253 1.00 51.51 C +ATOM 610 CE2 TYR A 74 22.682 26.661 3.122 1.00 51.79 C +ATOM 611 CZ TYR A 74 22.814 27.662 4.055 1.00 51.69 C +ATOM 612 OH TYR A 74 22.297 28.892 3.764 1.00 52.66 O +ATOM 613 N ILE A 75 26.326 21.443 4.854 1.00 50.14 N +ATOM 614 CA ILE A 75 27.014 20.369 5.557 1.00 48.96 C +ATOM 615 C ILE A 75 28.470 20.308 5.201 1.00 48.51 C +ATOM 616 O ILE A 75 29.293 20.035 6.070 1.00 49.55 O +ATOM 617 CB ILE A 75 26.334 19.005 5.277 1.00 49.74 C +ATOM 618 CG1 ILE A 75 25.084 18.887 6.152 1.00 49.32 C +ATOM 619 CG2 ILE A 75 27.307 17.856 5.515 1.00 49.57 C +ATOM 620 CD1 ILE A 75 25.318 19.308 7.620 1.00 50.51 C +ATOM 621 N LEU A 76 28.813 20.560 3.946 1.00 47.28 N +ATOM 622 CA LEU A 76 30.214 20.505 3.589 1.00 46.46 C +ATOM 623 C LEU A 76 30.938 21.758 3.994 1.00 45.97 C +ATOM 624 O LEU A 76 32.143 21.717 4.153 1.00 46.60 O +ATOM 625 CB LEU A 76 30.399 20.177 2.112 1.00 46.57 C +ATOM 626 CG LEU A 76 30.610 18.652 2.095 1.00 47.04 C +ATOM 627 CD1 LEU A 76 29.364 17.952 1.609 1.00 46.91 C +ATOM 628 CD2 LEU A 76 31.798 18.297 1.253 1.00 47.00 C +ATOM 629 N LEU A 77 30.237 22.868 4.172 1.00 45.16 N +ATOM 630 CA LEU A 77 30.916 24.075 4.641 1.00 45.05 C +ATOM 631 C LEU A 77 31.237 23.819 6.100 1.00 44.75 C +ATOM 632 O LEU A 77 32.309 24.161 6.588 1.00 45.61 O +ATOM 633 CB LEU A 77 30.006 25.307 4.521 1.00 45.31 C +ATOM 634 CG LEU A 77 30.605 26.607 5.071 1.00 45.03 C +ATOM 635 CD1 LEU A 77 32.001 26.853 4.527 1.00 45.06 C +ATOM 636 CD2 LEU A 77 29.692 27.736 4.703 1.00 44.86 C +ATOM 637 N ASN A 78 30.280 23.202 6.781 1.00 44.05 N +ATOM 638 CA ASN A 78 30.388 22.834 8.182 1.00 43.70 C +ATOM 639 C ASN A 78 31.632 21.957 8.328 1.00 43.59 C +ATOM 640 O ASN A 78 32.489 22.238 9.157 1.00 44.16 O +ATOM 641 CB ASN A 78 29.095 22.086 8.571 1.00 44.36 C +ATOM 642 CG ASN A 78 29.113 21.514 9.981 1.00 43.95 C +ATOM 643 OD1 ASN A 78 29.474 22.196 10.948 1.00 42.89 O +ATOM 644 ND2 ASN A 78 28.688 20.250 10.103 1.00 44.26 N +ATOM 645 N LEU A 79 31.746 20.925 7.498 1.00 42.41 N +ATOM 646 CA LEU A 79 32.885 20.029 7.558 1.00 40.88 C +ATOM 647 C LEU A 79 34.202 20.756 7.342 1.00 40.84 C +ATOM 648 O LEU A 79 35.183 20.421 8.006 1.00 40.77 O +ATOM 649 CB LEU A 79 32.722 18.928 6.527 1.00 40.93 C +ATOM 650 CG LEU A 79 32.017 17.658 6.999 1.00 40.99 C +ATOM 651 CD1 LEU A 79 31.441 17.820 8.410 1.00 41.38 C +ATOM 652 CD2 LEU A 79 30.956 17.315 5.969 1.00 40.67 C +ATOM 653 N ALA A 80 34.241 21.733 6.437 1.00 40.56 N +ATOM 654 CA ALA A 80 35.476 22.472 6.163 1.00 40.21 C +ATOM 655 C ALA A 80 35.868 23.269 7.392 1.00 40.35 C +ATOM 656 O ALA A 80 37.042 23.387 7.712 1.00 40.96 O +ATOM 657 CB ALA A 80 35.290 23.409 4.946 1.00 39.75 C +ATOM 658 N VAL A 81 34.890 23.811 8.094 1.00 40.28 N +ATOM 659 CA VAL A 81 35.185 24.585 9.287 1.00 40.28 C +ATOM 660 C VAL A 81 35.723 23.669 10.382 1.00 40.81 C +ATOM 661 O VAL A 81 36.739 23.963 11.003 1.00 40.13 O +ATOM 662 CB VAL A 81 33.919 25.300 9.751 1.00 39.83 C +ATOM 663 CG1 VAL A 81 34.185 26.097 11.001 1.00 39.65 C +ATOM 664 CG2 VAL A 81 33.436 26.197 8.641 1.00 38.79 C +ATOM 665 N ALA A 82 35.037 22.556 10.600 1.00 41.39 N +ATOM 666 CA ALA A 82 35.434 21.596 11.604 1.00 41.75 C +ATOM 667 C ALA A 82 36.826 21.046 11.284 1.00 42.80 C +ATOM 668 O ALA A 82 37.581 20.750 12.204 1.00 43.38 O +ATOM 669 CB ALA A 82 34.407 20.471 11.666 1.00 40.80 C +ATOM 670 N ASP A 83 37.169 20.930 9.998 1.00 44.01 N +ATOM 671 CA ASP A 83 38.472 20.407 9.549 1.00 43.99 C +ATOM 672 C ASP A 83 39.557 21.458 9.781 1.00 44.44 C +ATOM 673 O ASP A 83 40.721 21.094 9.991 1.00 45.71 O +ATOM 674 CB ASP A 83 38.462 20.026 8.056 1.00 44.02 C +ATOM 675 CG ASP A 83 37.573 18.838 7.742 1.00 43.73 C +ATOM 676 OD1 ASP A 83 37.126 18.132 8.660 1.00 43.57 O +ATOM 677 OD2 ASP A 83 37.323 18.602 6.550 1.00 43.85 O +ATOM 678 N LEU A 84 39.197 22.740 9.724 1.00 43.64 N +ATOM 679 CA LEU A 84 40.169 23.806 9.967 1.00 42.71 C +ATOM 680 C LEU A 84 40.443 23.885 11.462 1.00 43.09 C +ATOM 681 O LEU A 84 41.531 24.298 11.855 1.00 43.70 O +ATOM 682 CB LEU A 84 39.659 25.154 9.430 1.00 42.24 C +ATOM 683 CG LEU A 84 39.790 25.391 7.912 1.00 40.63 C +ATOM 684 CD1 LEU A 84 38.895 26.542 7.491 1.00 40.06 C +ATOM 685 CD2 LEU A 84 41.233 25.674 7.539 1.00 39.38 C +ATOM 686 N PHE A 85 39.467 23.499 12.288 1.00 42.95 N +ATOM 687 CA PHE A 85 39.668 23.473 13.736 1.00 43.35 C +ATOM 688 C PHE A 85 40.601 22.326 14.051 1.00 43.03 C +ATOM 689 O PHE A 85 41.421 22.412 14.947 1.00 42.63 O +ATOM 690 CB PHE A 85 38.345 23.280 14.469 1.00 44.35 C +ATOM 691 CG PHE A 85 37.628 24.559 14.749 1.00 45.15 C +ATOM 692 CD1 PHE A 85 38.246 25.565 15.488 1.00 45.69 C +ATOM 693 CD2 PHE A 85 36.339 24.769 14.271 1.00 45.61 C +ATOM 694 CE1 PHE A 85 37.582 26.780 15.753 1.00 46.18 C +ATOM 695 CE2 PHE A 85 35.667 25.967 14.522 1.00 45.34 C +ATOM 696 CZ PHE A 85 36.288 26.979 15.266 1.00 45.44 C +ATOM 697 N MET A 86 40.461 21.245 13.306 1.00 42.72 N +ATOM 698 CA MET A 86 41.331 20.103 13.474 1.00 43.14 C +ATOM 699 C MET A 86 42.761 20.534 13.195 1.00 43.77 C +ATOM 700 O MET A 86 43.621 20.361 14.041 1.00 45.48 O +ATOM 701 CB MET A 86 40.935 18.984 12.504 1.00 43.69 C +ATOM 702 CG MET A 86 39.535 18.452 12.733 1.00 44.57 C +ATOM 703 SD MET A 86 39.137 16.991 11.762 1.00 46.25 S +ATOM 704 CE MET A 86 39.972 15.752 12.693 1.00 43.20 C +ATOM 705 N VAL A 87 42.996 21.107 12.017 1.00 43.22 N +ATOM 706 CA VAL A 87 44.326 21.540 11.591 1.00 41.86 C +ATOM 707 C VAL A 87 44.966 22.489 12.573 1.00 42.70 C +ATOM 708 O VAL A 87 46.048 22.226 13.080 1.00 43.40 O +ATOM 709 CB VAL A 87 44.267 22.237 10.220 1.00 40.07 C +ATOM 710 CG1 VAL A 87 45.640 22.673 9.806 1.00 38.91 C +ATOM 711 CG2 VAL A 87 43.674 21.315 9.190 1.00 38.64 C +ATOM 712 N PHE A 88 44.304 23.600 12.845 1.00 43.08 N +ATOM 713 CA PHE A 88 44.868 24.598 13.749 1.00 44.04 C +ATOM 714 C PHE A 88 44.629 24.247 15.203 1.00 43.44 C +ATOM 715 O PHE A 88 45.496 24.502 16.040 1.00 43.33 O +ATOM 716 CB PHE A 88 44.292 25.979 13.425 1.00 46.07 C +ATOM 717 CG PHE A 88 44.708 26.508 12.079 1.00 47.73 C +ATOM 718 CD1 PHE A 88 46.048 26.756 11.801 1.00 49.33 C +ATOM 719 CD2 PHE A 88 43.766 26.706 11.065 1.00 48.02 C +ATOM 720 CE1 PHE A 88 46.450 27.192 10.523 1.00 50.24 C +ATOM 721 CE2 PHE A 88 44.158 27.141 9.787 1.00 48.37 C +ATOM 722 CZ PHE A 88 45.498 27.381 9.515 1.00 49.38 C +ATOM 723 N GLY A 89 43.480 23.654 15.502 1.00 42.32 N +ATOM 724 CA GLY A 89 43.179 23.294 16.874 1.00 41.13 C +ATOM 725 C GLY A 89 44.055 22.222 17.508 1.00 40.24 C +ATOM 726 O GLY A 89 44.655 22.447 18.546 1.00 39.99 O +ATOM 727 N GLY A 90 44.141 21.051 16.896 1.00 39.51 N +ATOM 728 CA GLY A 90 44.943 20.013 17.504 1.00 38.76 C +ATOM 729 C GLY A 90 46.161 19.576 16.740 1.00 38.72 C +ATOM 730 O GLY A 90 47.115 19.165 17.353 1.00 40.10 O +ATOM 731 N PHE A 91 46.133 19.669 15.415 1.00 38.41 N +ATOM 732 CA PHE A 91 47.253 19.227 14.577 1.00 38.45 C +ATOM 733 C PHE A 91 48.484 20.004 14.841 1.00 39.35 C +ATOM 734 O PHE A 91 49.584 19.512 14.631 1.00 40.01 O +ATOM 735 CB PHE A 91 46.893 19.315 13.105 1.00 37.74 C +ATOM 736 CG PHE A 91 45.960 18.236 12.664 1.00 37.36 C +ATOM 737 CD1 PHE A 91 45.235 17.507 13.600 1.00 37.59 C +ATOM 738 CD2 PHE A 91 45.808 17.938 11.314 1.00 36.40 C +ATOM 739 CE1 PHE A 91 44.380 16.501 13.200 1.00 37.98 C +ATOM 740 CE2 PHE A 91 44.952 16.927 10.903 1.00 37.14 C +ATOM 741 CZ PHE A 91 44.236 16.204 11.844 1.00 37.01 C +ATOM 742 N THR A 92 48.312 21.225 15.303 1.00 38.69 N +ATOM 743 CA THR A 92 49.444 22.058 15.624 1.00 38.89 C +ATOM 744 C THR A 92 50.146 21.465 16.853 1.00 39.29 C +ATOM 745 O THR A 92 51.373 21.421 16.935 1.00 39.23 O +ATOM 746 CB THR A 92 48.933 23.469 15.883 1.00 39.14 C +ATOM 747 OG1 THR A 92 47.778 23.401 16.729 1.00 41.00 O +ATOM 748 CG2 THR A 92 48.518 24.120 14.569 1.00 39.56 C +ATOM 749 N THR A 93 49.360 20.981 17.802 1.00 39.63 N +ATOM 750 CA THR A 93 49.926 20.388 18.993 1.00 40.57 C +ATOM 751 C THR A 93 50.468 19.009 18.679 1.00 41.11 C +ATOM 752 O THR A 93 51.507 18.646 19.215 1.00 42.70 O +ATOM 753 CB THR A 93 48.881 20.254 20.117 1.00 41.08 C +ATOM 754 OG1 THR A 93 48.595 21.546 20.658 1.00 41.36 O +ATOM 755 CG2 THR A 93 49.401 19.349 21.233 1.00 42.23 C +ATOM 756 N THR A 94 49.794 18.235 17.832 1.00 40.59 N +ATOM 757 CA THR A 94 50.294 16.897 17.540 1.00 39.16 C +ATOM 758 C THR A 94 51.595 16.932 16.752 1.00 38.71 C +ATOM 759 O THR A 94 52.394 16.019 16.857 1.00 38.34 O +ATOM 760 CB THR A 94 49.245 16.034 16.813 1.00 38.75 C +ATOM 761 OG1 THR A 94 49.913 15.010 16.063 1.00 38.79 O +ATOM 762 CG2 THR A 94 48.389 16.862 15.923 1.00 37.55 C +ATOM 763 N LEU A 95 51.816 17.984 15.982 1.00 38.95 N +ATOM 764 CA LEU A 95 53.072 18.091 15.261 1.00 38.48 C +ATOM 765 C LEU A 95 54.101 18.583 16.238 1.00 38.97 C +ATOM 766 O LEU A 95 55.233 18.137 16.215 1.00 39.01 O +ATOM 767 CB LEU A 95 52.975 19.085 14.110 1.00 37.78 C +ATOM 768 CG LEU A 95 54.327 19.491 13.512 1.00 36.87 C +ATOM 769 CD1 LEU A 95 55.087 18.277 13.016 1.00 37.07 C +ATOM 770 CD2 LEU A 95 54.083 20.446 12.376 1.00 36.69 C +ATOM 771 N TYR A 96 53.704 19.506 17.102 1.00 39.20 N +ATOM 772 CA TYR A 96 54.617 20.049 18.086 1.00 40.11 C +ATOM 773 C TYR A 96 55.055 18.965 19.038 1.00 40.78 C +ATOM 774 O TYR A 96 56.213 18.940 19.449 1.00 41.85 O +ATOM 775 CB TYR A 96 53.940 21.140 18.889 1.00 41.92 C +ATOM 776 CG TYR A 96 54.903 21.858 19.787 1.00 45.17 C +ATOM 777 CD1 TYR A 96 55.786 22.799 19.267 1.00 46.93 C +ATOM 778 CD2 TYR A 96 54.961 21.584 21.151 1.00 46.94 C +ATOM 779 CE1 TYR A 96 56.711 23.461 20.073 1.00 48.34 C +ATOM 780 CE2 TYR A 96 55.885 22.241 21.977 1.00 49.53 C +ATOM 781 CZ TYR A 96 56.763 23.184 21.427 1.00 50.08 C +ATOM 782 OH TYR A 96 57.698 23.847 22.210 1.00 53.51 O +ATOM 783 N THR A 97 54.122 18.092 19.406 1.00 40.08 N +ATOM 784 CA THR A 97 54.373 16.991 20.321 1.00 39.55 C +ATOM 785 C THR A 97 55.240 15.922 19.668 1.00 39.94 C +ATOM 786 O THR A 97 56.152 15.406 20.303 1.00 40.27 O +ATOM 787 CB THR A 97 53.053 16.383 20.741 1.00 39.67 C +ATOM 788 OG1 THR A 97 52.332 17.344 21.522 1.00 40.97 O +ATOM 789 CG2 THR A 97 53.273 15.111 21.521 1.00 39.33 C +ATOM 790 N SER A 98 54.949 15.574 18.417 1.00 40.39 N +ATOM 791 CA SER A 98 55.732 14.573 17.711 1.00 40.18 C +ATOM 792 C SER A 98 57.153 15.036 17.638 1.00 41.32 C +ATOM 793 O SER A 98 58.057 14.224 17.802 1.00 42.60 O +ATOM 794 CB SER A 98 55.207 14.373 16.297 1.00 38.90 C +ATOM 795 OG SER A 98 53.973 13.717 16.329 1.00 38.62 O +ATOM 796 N LEU A 99 57.352 16.338 17.403 1.00 42.19 N +ATOM 797 CA LEU A 99 58.700 16.944 17.275 1.00 42.27 C +ATOM 798 C LEU A 99 59.522 16.848 18.536 1.00 42.49 C +ATOM 799 O LEU A 99 60.732 16.907 18.448 1.00 43.81 O +ATOM 800 CB LEU A 99 58.612 18.422 16.865 1.00 40.98 C +ATOM 801 CG LEU A 99 58.346 18.689 15.382 1.00 40.58 C +ATOM 802 CD1 LEU A 99 58.062 20.146 15.174 1.00 39.57 C +ATOM 803 CD2 LEU A 99 59.532 18.223 14.548 1.00 39.74 C +ATOM 804 N HIS A 100 58.891 16.708 19.693 1.00 42.42 N +ATOM 805 CA HIS A 100 59.630 16.621 20.941 1.00 41.56 C +ATOM 806 C HIS A 100 59.559 15.233 21.537 1.00 41.28 C +ATOM 807 O HIS A 100 60.275 14.955 22.493 1.00 41.98 O +ATOM 808 CB HIS A 100 59.091 17.667 21.910 1.00 42.53 C +ATOM 809 CG HIS A 100 59.284 19.071 21.424 1.00 45.43 C +ATOM 810 ND1 HIS A 100 60.531 19.655 21.300 1.00 47.16 N +ATOM 811 CD2 HIS A 100 58.395 20.005 21.014 1.00 46.79 C +ATOM 812 CE1 HIS A 100 60.401 20.886 20.840 1.00 47.33 C +ATOM 813 NE2 HIS A 100 59.114 21.125 20.659 1.00 48.54 N +ATOM 814 N GLY A 101 58.719 14.365 20.972 1.00 40.51 N +ATOM 815 CA GLY A 101 58.589 13.016 21.489 1.00 39.14 C +ATOM 816 C GLY A 101 57.705 12.924 22.722 1.00 39.04 C +ATOM 817 O GLY A 101 57.713 11.913 23.402 1.00 39.19 O +ATOM 818 N TYR A 102 56.949 13.980 23.019 1.00 39.70 N +ATOM 819 CA TYR A 102 56.048 13.997 24.179 1.00 39.93 C +ATOM 820 C TYR A 102 55.266 15.307 24.238 1.00 39.31 C +ATOM 821 O TYR A 102 55.601 16.273 23.545 1.00 39.55 O +ATOM 822 CB TYR A 102 56.830 13.797 25.500 1.00 41.85 C +ATOM 823 CG TYR A 102 57.514 15.044 26.063 1.00 42.10 C +ATOM 824 CD1 TYR A 102 58.713 15.527 25.524 1.00 42.02 C +ATOM 825 CD2 TYR A 102 56.947 15.742 27.128 1.00 43.00 C +ATOM 826 CE1 TYR A 102 59.329 16.674 26.032 1.00 42.00 C +ATOM 827 CE2 TYR A 102 57.546 16.886 27.645 1.00 43.54 C +ATOM 828 CZ TYR A 102 58.737 17.353 27.095 1.00 43.24 C +ATOM 829 OH TYR A 102 59.308 18.501 27.616 1.00 43.00 O +ATOM 830 N PHE A 103 54.242 15.326 25.087 1.00 38.37 N +ATOM 831 CA PHE A 103 53.371 16.477 25.263 1.00 37.54 C +ATOM 832 C PHE A 103 53.998 17.531 26.149 1.00 38.74 C +ATOM 833 O PHE A 103 53.657 17.627 27.330 1.00 37.83 O +ATOM 834 CB PHE A 103 52.026 16.024 25.842 1.00 36.76 C +ATOM 835 CG PHE A 103 51.060 15.533 24.802 1.00 35.98 C +ATOM 836 CD1 PHE A 103 50.374 16.442 23.993 1.00 35.36 C +ATOM 837 CD2 PHE A 103 50.857 14.173 24.605 1.00 34.32 C +ATOM 838 CE1 PHE A 103 49.503 16.006 23.004 1.00 35.48 C +ATOM 839 CE2 PHE A 103 49.986 13.727 23.615 1.00 34.80 C +ATOM 840 CZ PHE A 103 49.306 14.647 22.811 1.00 34.98 C +ATOM 841 N VAL A 104 54.902 18.327 25.574 1.00 40.36 N +ATOM 842 CA VAL A 104 55.553 19.389 26.327 1.00 42.10 C +ATOM 843 C VAL A 104 54.480 20.264 26.988 1.00 43.06 C +ATOM 844 O VAL A 104 54.658 20.670 28.133 1.00 45.33 O +ATOM 845 CB VAL A 104 56.470 20.304 25.432 1.00 41.63 C +ATOM 846 CG1 VAL A 104 57.146 19.494 24.361 1.00 40.15 C +ATOM 847 CG2 VAL A 104 55.665 21.437 24.836 1.00 43.06 C +ATOM 848 N PHE A 105 53.376 20.545 26.305 1.00 43.33 N +ATOM 849 CA PHE A 105 52.344 21.374 26.921 1.00 44.10 C +ATOM 850 C PHE A 105 51.540 20.607 27.942 1.00 43.72 C +ATOM 851 O PHE A 105 50.456 21.071 28.353 1.00 45.16 O +ATOM 852 CB PHE A 105 51.406 21.926 25.864 1.00 46.27 C +ATOM 853 CG PHE A 105 52.092 22.773 24.862 1.00 48.77 C +ATOM 854 CD1 PHE A 105 52.948 23.801 25.278 1.00 49.74 C +ATOM 855 CD2 PHE A 105 51.902 22.548 23.499 1.00 50.04 C +ATOM 856 CE1 PHE A 105 53.617 24.598 24.357 1.00 50.85 C +ATOM 857 CE2 PHE A 105 52.563 23.338 22.560 1.00 51.31 C +ATOM 858 CZ PHE A 105 53.428 24.371 22.992 1.00 51.75 C +ATOM 859 N GLY A 106 52.032 19.446 28.352 1.00 41.67 N +ATOM 860 CA GLY A 106 51.300 18.677 29.336 1.00 41.15 C +ATOM 861 C GLY A 106 49.846 18.389 28.984 1.00 41.16 C +ATOM 862 O GLY A 106 49.443 18.460 27.829 1.00 41.26 O +ATOM 863 N PRO A 107 49.031 18.045 29.982 1.00 41.64 N +ATOM 864 CA PRO A 107 47.624 17.746 29.726 1.00 42.52 C +ATOM 865 C PRO A 107 46.874 18.753 28.901 1.00 42.86 C +ATOM 866 O PRO A 107 45.934 18.369 28.208 1.00 43.94 O +ATOM 867 CB PRO A 107 47.040 17.563 31.135 1.00 42.07 C +ATOM 868 CG PRO A 107 48.051 18.183 32.042 1.00 41.05 C +ATOM 869 CD PRO A 107 49.349 17.841 31.401 1.00 41.61 C +ATOM 870 N THR A 108 47.268 20.020 28.942 1.00 43.19 N +ATOM 871 CA THR A 108 46.554 21.010 28.143 1.00 44.14 C +ATOM 872 C THR A 108 46.731 20.679 26.672 1.00 44.15 C +ATOM 873 O THR A 108 45.743 20.634 25.929 1.00 44.45 O +ATOM 874 CB THR A 108 47.053 22.434 28.418 1.00 44.53 C +ATOM 875 OG1 THR A 108 46.988 22.695 29.824 1.00 45.33 O +ATOM 876 CG2 THR A 108 46.168 23.443 27.709 1.00 44.16 C +ATOM 877 N GLY A 109 47.972 20.435 26.255 1.00 43.20 N +ATOM 878 CA GLY A 109 48.221 20.085 24.871 1.00 42.64 C +ATOM 879 C GLY A 109 47.509 18.805 24.476 1.00 42.68 C +ATOM 880 O GLY A 109 47.106 18.649 23.342 1.00 43.48 O +ATOM 881 N CYS A 110 47.342 17.902 25.436 1.00 42.09 N +ATOM 882 CA CYS A 110 46.710 16.607 25.237 1.00 41.45 C +ATOM 883 C CYS A 110 45.250 16.801 25.048 1.00 41.11 C +ATOM 884 O CYS A 110 44.613 16.051 24.304 1.00 40.05 O +ATOM 885 CB CYS A 110 46.947 15.741 26.454 1.00 41.83 C +ATOM 886 SG CYS A 110 46.245 14.064 26.418 1.00 41.91 S +ATOM 887 N ASN A 111 44.706 17.802 25.730 1.00 41.16 N +ATOM 888 CA ASN A 111 43.285 18.090 25.621 1.00 41.22 C +ATOM 889 C ASN A 111 42.993 18.725 24.281 1.00 40.97 C +ATOM 890 O ASN A 111 41.990 18.393 23.666 1.00 41.03 O +ATOM 891 CB ASN A 111 42.832 19.007 26.756 1.00 40.94 C +ATOM 892 CG ASN A 111 42.793 18.299 28.096 1.00 42.04 C +ATOM 893 OD1 ASN A 111 42.142 17.268 28.263 1.00 42.29 O +ATOM 894 ND2 ASN A 111 43.488 18.859 29.058 1.00 42.93 N +ATOM 895 N LEU A 112 43.860 19.625 23.823 1.00 40.50 N +ATOM 896 CA LEU A 112 43.666 20.273 22.525 1.00 40.12 C +ATOM 897 C LEU A 112 43.704 19.217 21.470 1.00 40.57 C +ATOM 898 O LEU A 112 42.803 19.126 20.645 1.00 40.73 O +ATOM 899 CB LEU A 112 44.782 21.287 22.260 1.00 39.53 C +ATOM 900 CG LEU A 112 44.800 22.515 23.176 1.00 39.11 C +ATOM 901 CD1 LEU A 112 46.073 23.298 22.920 1.00 37.80 C +ATOM 902 CD2 LEU A 112 43.538 23.372 22.953 1.00 36.74 C +ATOM 903 N GLU A 113 44.770 18.424 21.521 1.00 41.07 N +ATOM 904 CA GLU A 113 45.010 17.316 20.608 1.00 41.48 C +ATOM 905 C GLU A 113 43.772 16.389 20.579 1.00 41.42 C +ATOM 906 O GLU A 113 43.213 16.160 19.505 1.00 42.37 O +ATOM 907 CB GLU A 113 46.260 16.552 21.076 1.00 42.27 C +ATOM 908 CG GLU A 113 47.174 16.079 19.972 1.00 45.67 C +ATOM 909 CD GLU A 113 46.474 15.165 19.002 1.00 47.69 C +ATOM 910 OE1 GLU A 113 45.823 14.211 19.480 1.00 48.20 O +ATOM 911 OE2 GLU A 113 46.574 15.394 17.771 1.00 49.25 O +ATOM 912 N GLY A 114 43.335 15.890 21.739 1.00 41.23 N +ATOM 913 CA GLY A 114 42.184 15.004 21.789 1.00 39.36 C +ATOM 914 C GLY A 114 40.857 15.626 21.392 1.00 39.01 C +ATOM 915 O GLY A 114 40.156 15.093 20.544 1.00 38.37 O +ATOM 916 N PHE A 115 40.525 16.764 21.996 1.00 38.68 N +ATOM 917 CA PHE A 115 39.258 17.466 21.746 1.00 38.81 C +ATOM 918 C PHE A 115 39.011 17.775 20.281 1.00 39.37 C +ATOM 919 O PHE A 115 37.971 17.416 19.743 1.00 40.13 O +ATOM 920 CB PHE A 115 39.188 18.784 22.546 1.00 37.75 C +ATOM 921 CG PHE A 115 37.928 19.574 22.305 1.00 36.88 C +ATOM 922 CD1 PHE A 115 36.707 19.137 22.816 1.00 36.83 C +ATOM 923 CD2 PHE A 115 37.950 20.726 21.523 1.00 36.77 C +ATOM 924 CE1 PHE A 115 35.521 19.832 22.551 1.00 36.61 C +ATOM 925 CE2 PHE A 115 36.768 21.431 21.248 1.00 35.98 C +ATOM 926 CZ PHE A 115 35.553 20.978 21.765 1.00 36.03 C +ATOM 927 N PHE A 116 39.945 18.432 19.625 1.00 39.61 N +ATOM 928 CA PHE A 116 39.698 18.795 18.247 1.00 40.28 C +ATOM 929 C PHE A 116 39.623 17.645 17.300 1.00 40.43 C +ATOM 930 O PHE A 116 38.901 17.749 16.318 1.00 40.70 O +ATOM 931 CB PHE A 116 40.714 19.825 17.796 1.00 40.85 C +ATOM 932 CG PHE A 116 40.407 21.179 18.311 1.00 41.37 C +ATOM 933 CD1 PHE A 116 39.189 21.785 17.992 1.00 40.54 C +ATOM 934 CD2 PHE A 116 41.287 21.828 19.171 1.00 41.56 C +ATOM 935 CE1 PHE A 116 38.850 23.025 18.529 1.00 41.46 C +ATOM 936 CE2 PHE A 116 40.955 23.067 19.711 1.00 41.12 C +ATOM 937 CZ PHE A 116 39.734 23.668 19.392 1.00 40.94 C +ATOM 938 N ALA A 117 40.340 16.560 17.555 1.00 40.14 N +ATOM 939 CA ALA A 117 40.268 15.418 16.653 1.00 40.83 C +ATOM 940 C ALA A 117 38.926 14.719 16.852 1.00 41.75 C +ATOM 941 O ALA A 117 38.318 14.207 15.906 1.00 42.04 O +ATOM 942 CB ALA A 117 41.385 14.475 16.941 1.00 41.29 C +ATOM 943 N THR A 118 38.467 14.714 18.098 1.00 42.61 N +ATOM 944 CA THR A 118 37.192 14.105 18.457 1.00 43.21 C +ATOM 945 C THR A 118 36.070 14.962 17.890 1.00 43.20 C +ATOM 946 O THR A 118 35.169 14.443 17.193 1.00 43.36 O +ATOM 947 CB THR A 118 37.059 14.017 19.990 1.00 44.20 C +ATOM 948 OG1 THR A 118 38.126 13.214 20.508 1.00 45.44 O +ATOM 949 CG2 THR A 118 35.741 13.391 20.385 1.00 44.67 C +ATOM 950 N LEU A 119 36.125 16.260 18.183 1.00 43.50 N +ATOM 951 CA LEU A 119 35.141 17.216 17.691 1.00 42.96 C +ATOM 952 C LEU A 119 35.006 17.043 16.174 1.00 42.17 C +ATOM 953 O LEU A 119 33.899 16.961 15.643 1.00 41.06 O +ATOM 954 CB LEU A 119 35.613 18.639 18.016 1.00 43.26 C +ATOM 955 CG LEU A 119 34.595 19.613 18.594 1.00 43.08 C +ATOM 956 CD1 LEU A 119 35.031 21.034 18.280 1.00 42.86 C +ATOM 957 CD2 LEU A 119 33.234 19.327 17.985 1.00 43.05 C +ATOM 958 N GLY A 120 36.149 16.965 15.499 1.00 42.23 N +ATOM 959 CA GLY A 120 36.167 16.817 14.053 1.00 42.59 C +ATOM 960 C GLY A 120 35.584 15.526 13.515 1.00 42.77 C +ATOM 961 O GLY A 120 34.774 15.540 12.590 1.00 43.26 O +ATOM 962 N GLY A 121 36.000 14.401 14.074 1.00 42.64 N +ATOM 963 CA GLY A 121 35.471 13.138 13.606 1.00 42.59 C +ATOM 964 C GLY A 121 33.979 13.019 13.880 1.00 43.13 C +ATOM 965 O GLY A 121 33.221 12.536 13.017 1.00 42.32 O +ATOM 966 N GLU A 122 33.560 13.469 15.072 1.00 42.73 N +ATOM 967 CA GLU A 122 32.159 13.396 15.494 1.00 42.73 C +ATOM 968 C GLU A 122 31.259 14.366 14.732 1.00 42.91 C +ATOM 969 O GLU A 122 30.062 14.091 14.566 1.00 42.83 O +ATOM 970 CB GLU A 122 32.039 13.619 17.007 1.00 42.39 C +ATOM 971 CG GLU A 122 32.225 12.355 17.839 1.00 43.26 C +ATOM 972 CD GLU A 122 31.240 11.244 17.481 1.00 44.45 C +ATOM 973 OE1 GLU A 122 30.049 11.544 17.254 1.00 45.15 O +ATOM 974 OE2 GLU A 122 31.649 10.062 17.443 1.00 44.09 O +ATOM 975 N ILE A 123 31.784 15.502 14.272 1.00 43.39 N +ATOM 976 CA ILE A 123 30.955 16.425 13.494 1.00 43.21 C +ATOM 977 C ILE A 123 30.746 15.817 12.111 1.00 43.62 C +ATOM 978 O ILE A 123 29.715 16.048 11.460 1.00 43.93 O +ATOM 979 CB ILE A 123 31.607 17.816 13.370 1.00 42.86 C +ATOM 980 CG1 ILE A 123 31.367 18.607 14.655 1.00 43.09 C +ATOM 981 CG2 ILE A 123 31.021 18.569 12.173 1.00 42.74 C +ATOM 982 CD1 ILE A 123 32.145 19.891 14.721 1.00 43.91 C +ATOM 983 N ALA A 124 31.730 15.039 11.666 1.00 43.18 N +ATOM 984 CA ALA A 124 31.636 14.352 10.391 1.00 42.72 C +ATOM 985 C ALA A 124 30.582 13.267 10.528 1.00 42.65 C +ATOM 986 O ALA A 124 29.701 13.171 9.693 1.00 42.91 O +ATOM 987 CB ALA A 124 32.968 13.739 10.031 1.00 42.53 C +ATOM 988 N LEU A 125 30.665 12.463 11.589 1.00 42.90 N +ATOM 989 CA LEU A 125 29.704 11.375 11.834 1.00 43.43 C +ATOM 990 C LEU A 125 28.282 11.895 11.884 1.00 44.01 C +ATOM 991 O LEU A 125 27.410 11.354 11.224 1.00 43.89 O +ATOM 992 CB LEU A 125 30.019 10.654 13.155 1.00 42.76 C +ATOM 993 CG LEU A 125 29.030 9.604 13.678 1.00 42.89 C +ATOM 994 CD1 LEU A 125 28.914 8.466 12.670 1.00 41.68 C +ATOM 995 CD2 LEU A 125 29.477 9.092 15.057 1.00 42.53 C +ATOM 996 N TRP A 126 28.041 12.940 12.660 1.00 44.80 N +ATOM 997 CA TRP A 126 26.703 13.453 12.753 1.00 45.81 C +ATOM 998 C TRP A 126 26.290 14.130 11.481 1.00 46.70 C +ATOM 999 O TRP A 126 25.110 14.088 11.143 1.00 47.31 O +ATOM 1000 CB TRP A 126 26.592 14.387 13.941 1.00 46.55 C +ATOM 1001 CG TRP A 126 26.599 13.630 15.210 1.00 47.46 C +ATOM 1002 CD1 TRP A 126 27.573 13.622 16.159 1.00 48.65 C +ATOM 1003 CD2 TRP A 126 25.596 12.721 15.658 1.00 48.52 C +ATOM 1004 NE1 TRP A 126 27.244 12.762 17.176 1.00 48.83 N +ATOM 1005 CE2 TRP A 126 26.032 12.194 16.892 1.00 48.85 C +ATOM 1006 CE3 TRP A 126 24.370 12.297 15.135 1.00 48.91 C +ATOM 1007 CZ2 TRP A 126 25.285 11.263 17.613 1.00 48.99 C +ATOM 1008 CZ3 TRP A 126 23.628 11.375 15.850 1.00 49.22 C +ATOM 1009 CH2 TRP A 126 24.089 10.867 17.078 1.00 49.45 C +ATOM 1010 N SER A 127 27.223 14.749 10.767 1.00 47.12 N +ATOM 1011 CA SER A 127 26.855 15.402 9.517 1.00 47.34 C +ATOM 1012 C SER A 127 26.419 14.344 8.515 1.00 48.12 C +ATOM 1013 O SER A 127 25.696 14.666 7.577 1.00 49.19 O +ATOM 1014 CB SER A 127 28.020 16.218 8.954 1.00 47.10 C +ATOM 1015 OG SER A 127 28.178 17.438 9.655 1.00 48.59 O +ATOM 1016 N LEU A 128 26.842 13.095 8.717 1.00 48.32 N +ATOM 1017 CA LEU A 128 26.466 11.988 7.825 1.00 49.32 C +ATOM 1018 C LEU A 128 25.049 11.524 8.102 1.00 50.35 C +ATOM 1019 O LEU A 128 24.365 11.079 7.187 1.00 51.17 O +ATOM 1020 CB LEU A 128 27.412 10.803 7.991 1.00 48.11 C +ATOM 1021 CG LEU A 128 28.738 10.996 7.270 1.00 48.21 C +ATOM 1022 CD1 LEU A 128 29.651 9.812 7.537 1.00 48.03 C +ATOM 1023 CD2 LEU A 128 28.465 11.159 5.775 1.00 48.66 C +ATOM 1024 N VAL A 129 24.618 11.600 9.359 1.00 51.25 N +ATOM 1025 CA VAL A 129 23.264 11.197 9.709 1.00 51.63 C +ATOM 1026 C VAL A 129 22.305 12.220 9.100 1.00 52.12 C +ATOM 1027 O VAL A 129 21.247 11.831 8.564 1.00 52.57 O +ATOM 1028 CB VAL A 129 23.074 11.126 11.249 1.00 51.51 C +ATOM 1029 CG1 VAL A 129 21.662 10.683 11.568 1.00 51.58 C +ATOM 1030 CG2 VAL A 129 24.064 10.153 11.860 1.00 50.68 C +ATOM 1031 N VAL A 130 22.679 13.504 9.166 1.00 51.71 N +ATOM 1032 CA VAL A 130 21.869 14.585 8.602 1.00 51.70 C +ATOM 1033 C VAL A 130 21.708 14.342 7.099 1.00 52.97 C +ATOM 1034 O VAL A 130 20.589 14.379 6.573 1.00 54.22 O +ATOM 1035 CB VAL A 130 22.531 15.967 8.850 1.00 50.24 C +ATOM 1036 CG1 VAL A 130 21.680 17.080 8.282 1.00 49.12 C +ATOM 1037 CG2 VAL A 130 22.725 16.172 10.335 1.00 49.81 C +ATOM 1038 N LEU A 131 22.815 14.076 6.413 1.00 53.22 N +ATOM 1039 CA LEU A 131 22.770 13.806 4.983 1.00 53.52 C +ATOM 1040 C LEU A 131 21.883 12.582 4.723 1.00 54.15 C +ATOM 1041 O LEU A 131 21.042 12.617 3.826 1.00 54.96 O +ATOM 1042 CB LEU A 131 24.200 13.588 4.455 1.00 52.76 C +ATOM 1043 CG LEU A 131 25.024 14.818 4.033 1.00 51.84 C +ATOM 1044 CD1 LEU A 131 24.694 16.021 4.877 1.00 51.68 C +ATOM 1045 CD2 LEU A 131 26.496 14.493 4.142 1.00 51.30 C +ATOM 1046 N ALA A 132 22.059 11.518 5.505 1.00 54.47 N +ATOM 1047 CA ALA A 132 21.253 10.309 5.345 1.00 54.88 C +ATOM 1048 C ALA A 132 19.795 10.701 5.339 1.00 55.06 C +ATOM 1049 O ALA A 132 19.041 10.240 4.499 1.00 54.84 O +ATOM 1050 CB ALA A 132 21.530 9.334 6.487 1.00 54.87 C +ATOM 1051 N ILE A 133 19.405 11.555 6.274 1.00 55.24 N +ATOM 1052 CA ILE A 133 18.033 12.012 6.355 1.00 55.79 C +ATOM 1053 C ILE A 133 17.693 12.818 5.133 1.00 56.60 C +ATOM 1054 O ILE A 133 16.884 12.388 4.324 1.00 56.57 O +ATOM 1055 CB ILE A 133 17.824 12.883 7.585 1.00 56.14 C +ATOM 1056 CG1 ILE A 133 18.160 12.072 8.835 1.00 57.05 C +ATOM 1057 CG2 ILE A 133 16.412 13.426 7.609 1.00 54.70 C +ATOM 1058 CD1 ILE A 133 17.660 10.630 8.792 1.00 57.28 C +ATOM 1059 N GLU A 134 18.304 13.987 4.999 1.00 57.41 N +ATOM 1060 CA GLU A 134 18.049 14.837 3.853 1.00 58.66 C +ATOM 1061 C GLU A 134 18.027 13.981 2.618 1.00 59.20 C +ATOM 1062 O GLU A 134 17.140 14.106 1.787 1.00 59.53 O +ATOM 1063 CB GLU A 134 19.144 15.895 3.730 1.00 59.30 C +ATOM 1064 CG GLU A 134 18.834 16.994 2.714 1.00 62.04 C +ATOM 1065 CD GLU A 134 19.454 16.766 1.331 1.00 63.45 C +ATOM 1066 OE1 GLU A 134 19.438 15.613 0.837 1.00 63.77 O +ATOM 1067 OE2 GLU A 134 19.943 17.762 0.736 1.00 64.67 O +ATOM 1068 N ARG A 135 18.999 13.092 2.504 1.00 59.85 N +ATOM 1069 CA ARG A 135 19.080 12.224 1.347 1.00 60.99 C +ATOM 1070 C ARG A 135 17.793 11.452 1.208 1.00 62.72 C +ATOM 1071 O ARG A 135 17.230 11.334 0.125 1.00 63.13 O +ATOM 1072 CB ARG A 135 20.240 11.255 1.501 1.00 58.99 C +ATOM 1073 CG ARG A 135 20.580 10.566 0.220 1.00 58.39 C +ATOM 1074 CD ARG A 135 21.352 11.498 -0.715 1.00 57.44 C +ATOM 1075 NE ARG A 135 20.828 12.865 -0.770 1.00 55.17 N +ATOM 1076 CZ ARG A 135 20.351 13.447 -1.869 1.00 53.72 C +ATOM 1077 NH1 ARG A 135 20.314 12.786 -3.023 1.00 52.34 N +ATOM 1078 NH2 ARG A 135 19.929 14.701 -1.819 1.00 52.27 N +ATOM 1079 N TYR A 136 17.327 10.926 2.326 1.00 64.96 N +ATOM 1080 CA TYR A 136 16.115 10.147 2.359 1.00 66.71 C +ATOM 1081 C TYR A 136 14.938 11.005 1.993 1.00 68.26 C +ATOM 1082 O TYR A 136 14.220 10.699 1.059 1.00 69.18 O +ATOM 1083 CB TYR A 136 15.909 9.599 3.752 1.00 66.83 C +ATOM 1084 CG TYR A 136 14.685 8.763 3.837 1.00 68.42 C +ATOM 1085 CD1 TYR A 136 14.676 7.473 3.309 1.00 69.21 C +ATOM 1086 CD2 TYR A 136 13.512 9.268 4.393 1.00 68.82 C +ATOM 1087 CE1 TYR A 136 13.532 6.702 3.327 1.00 69.37 C +ATOM 1088 CE2 TYR A 136 12.357 8.512 4.415 1.00 69.00 C +ATOM 1089 CZ TYR A 136 12.377 7.225 3.878 1.00 69.81 C +ATOM 1090 OH TYR A 136 11.250 6.447 3.875 1.00 70.95 O +ATOM 1091 N VAL A 137 14.740 12.083 2.737 1.00 69.45 N +ATOM 1092 CA VAL A 137 13.622 12.979 2.503 1.00 70.90 C +ATOM 1093 C VAL A 137 13.493 13.369 1.049 1.00 73.16 C +ATOM 1094 O VAL A 137 12.384 13.562 0.586 1.00 74.16 O +ATOM 1095 CB VAL A 137 13.742 14.250 3.363 1.00 69.96 C +ATOM 1096 CG1 VAL A 137 12.711 15.271 2.956 1.00 69.37 C +ATOM 1097 CG2 VAL A 137 13.538 13.896 4.799 1.00 69.73 C +ATOM 1098 N VAL A 138 14.588 13.490 0.312 1.00 75.27 N +ATOM 1099 CA VAL A 138 14.447 13.889 -1.083 1.00 77.20 C +ATOM 1100 C VAL A 138 14.168 12.695 -1.956 1.00 79.20 C +ATOM 1101 O VAL A 138 13.284 12.769 -2.800 1.00 79.37 O +ATOM 1102 CB VAL A 138 15.698 14.610 -1.604 1.00 77.01 C +ATOM 1103 CG1 VAL A 138 15.964 15.854 -0.772 1.00 76.74 C +ATOM 1104 CG2 VAL A 138 16.888 13.673 -1.561 1.00 77.70 C +ATOM 1105 N VAL A 139 14.898 11.600 -1.757 1.00 81.49 N +ATOM 1106 CA VAL A 139 14.707 10.400 -2.568 1.00 84.18 C +ATOM 1107 C VAL A 139 13.369 9.757 -2.271 1.00 86.47 C +ATOM 1108 O VAL A 139 12.459 9.863 -3.085 1.00 87.02 O +ATOM 1109 CB VAL A 139 15.839 9.378 -2.339 1.00 83.83 C +ATOM 1110 CG1 VAL A 139 15.461 8.036 -2.925 1.00 83.60 C +ATOM 1111 CG2 VAL A 139 17.112 9.882 -2.990 1.00 84.02 C +ATOM 1112 N CYS A 140 13.233 9.102 -1.123 1.00 88.94 N +ATOM 1113 CA CYS A 140 11.970 8.459 -0.776 1.00 91.40 C +ATOM 1114 C CYS A 140 10.884 9.504 -0.448 1.00 93.23 C +ATOM 1115 O CYS A 140 9.773 9.141 -0.060 1.00 93.73 O +ATOM 1116 CB CYS A 140 12.198 7.492 0.391 1.00 90.82 C +ATOM 1117 SG CYS A 140 13.338 6.132 -0.026 1.00 91.94 S +ATOM 1118 N LYS A 141 11.217 10.783 -0.639 1.00 95.25 N +ATOM 1119 CA LYS A 141 10.338 11.948 -0.408 1.00 96.99 C +ATOM 1120 C LYS A 141 9.090 11.656 0.453 1.00 98.08 C +ATOM 1121 O LYS A 141 8.046 11.291 -0.096 1.00 98.17 O +ATOM 1122 CB LYS A 141 9.917 12.551 -1.760 1.00 96.84 C +ATOM 1123 CG LYS A 141 9.454 13.998 -1.680 1.00 97.21 C +ATOM 1124 CD LYS A 141 9.399 14.627 -3.055 1.00 97.48 C +ATOM 1125 CE LYS A 141 9.160 16.122 -2.961 1.00 97.51 C +ATOM 1126 NZ LYS A 141 9.227 16.777 -4.300 1.00 96.91 N +ATOM 1127 N PRO A 142 9.183 11.838 1.798 1.00 99.12 N +ATOM 1128 CA PRO A 142 8.106 11.619 2.785 1.00 99.61 C +ATOM 1129 C PRO A 142 6.910 12.563 2.672 1.00 99.88 C +ATOM 1130 O PRO A 142 5.779 12.140 2.923 1.00 99.96 O +ATOM 1131 CB PRO A 142 8.826 11.778 4.127 1.00 99.56 C +ATOM 1132 CG PRO A 142 10.216 11.326 3.823 1.00 99.42 C +ATOM 1133 CD PRO A 142 10.473 12.010 2.495 1.00 99.46 C +ATOM 1134 N MET A 143 7.156 13.827 2.331 1.00100.05 N +ATOM 1135 CA MET A 143 6.079 14.805 2.170 1.00100.41 C +ATOM 1136 C MET A 143 5.697 14.887 0.718 1.00100.84 C +ATOM 1137 O MET A 143 6.450 14.442 -0.150 1.00101.42 O +ATOM 1138 CB MET A 143 6.510 16.196 2.636 1.00100.50 C +ATOM 1139 CG MET A 143 6.479 16.399 4.132 1.00100.69 C +ATOM 1140 SD MET A 143 7.517 15.222 4.983 1.00101.42 S +ATOM 1141 CE MET A 143 6.259 14.100 5.656 1.00101.89 C +ATOM 1142 N SER A 144 4.534 15.462 0.447 1.00100.97 N +ATOM 1143 CA SER A 144 4.069 15.587 -0.922 1.00101.22 C +ATOM 1144 C SER A 144 4.270 17.008 -1.397 1.00101.04 C +ATOM 1145 O SER A 144 3.679 17.408 -2.405 1.00101.49 O +ATOM 1146 CB SER A 144 2.591 15.190 -1.013 1.00101.40 C +ATOM 1147 OG SER A 144 2.413 13.816 -0.689 1.00101.49 O +ATOM 1148 N ASN A 145 5.112 17.761 -0.693 1.00100.70 N +ATOM 1149 CA ASN A 145 5.369 19.151 -1.060 1.00100.38 C +ATOM 1150 C ASN A 145 6.400 19.775 -0.136 1.00 99.21 C +ATOM 1151 O ASN A 145 6.288 20.967 0.175 1.00 99.38 O +ATOM 1152 CB ASN A 145 4.062 19.954 -0.981 1.00101.29 C +ATOM 1153 CG ASN A 145 3.403 19.856 0.390 1.00102.01 C +ATOM 1154 OD1 ASN A 145 3.073 18.758 0.861 1.00102.48 O +ATOM 1155 ND2 ASN A 145 3.213 21.003 1.040 1.00102.69 N +ATOM 1156 N PHE A 146 7.404 19.004 0.288 1.00 97.81 N +ATOM 1157 CA PHE A 146 8.420 19.536 1.197 1.00 96.14 C +ATOM 1158 C PHE A 146 9.783 19.747 0.532 1.00 94.78 C +ATOM 1159 O PHE A 146 10.156 19.021 -0.401 1.00 94.72 O +ATOM 1160 CB PHE A 146 8.599 18.618 2.404 1.00 95.57 C +ATOM 1161 CG PHE A 146 9.640 19.102 3.374 1.00 95.18 C +ATOM 1162 CD1 PHE A 146 9.388 20.199 4.197 1.00 94.82 C +ATOM 1163 CD2 PHE A 146 10.892 18.488 3.437 1.00 94.73 C +ATOM 1164 CE1 PHE A 146 10.369 20.676 5.069 1.00 94.61 C +ATOM 1165 CE2 PHE A 146 11.879 18.958 4.302 1.00 94.46 C +ATOM 1166 CZ PHE A 146 11.616 20.053 5.120 1.00 94.59 C +ATOM 1167 N ARG A 147 10.523 20.733 1.054 1.00 93.40 N +ATOM 1168 CA ARG A 147 11.858 21.103 0.570 1.00 91.65 C +ATOM 1169 C ARG A 147 12.668 21.744 1.705 1.00 89.75 C +ATOM 1170 O ARG A 147 12.159 22.633 2.415 1.00 89.82 O +ATOM 1171 CB ARG A 147 11.741 22.102 -0.585 1.00 92.44 C +ATOM 1172 CG ARG A 147 13.067 22.497 -1.224 1.00 93.48 C +ATOM 1173 CD ARG A 147 12.894 23.730 -2.112 1.00 94.08 C +ATOM 1174 NE ARG A 147 12.633 24.944 -1.335 1.00 94.29 N +ATOM 1175 CZ ARG A 147 12.365 26.144 -1.858 1.00 94.74 C +ATOM 1176 NH1 ARG A 147 12.314 26.312 -3.177 1.00 95.15 N +ATOM 1177 NH2 ARG A 147 12.157 27.188 -1.059 1.00 95.10 N +ATOM 1178 N PHE A 148 13.918 21.305 1.859 1.00 87.00 N +ATOM 1179 CA PHE A 148 14.805 21.820 2.896 1.00 84.02 C +ATOM 1180 C PHE A 148 15.227 23.241 2.602 1.00 82.72 C +ATOM 1181 O PHE A 148 15.880 23.485 1.595 1.00 82.75 O +ATOM 1182 CB PHE A 148 16.050 20.945 3.000 1.00 82.66 C +ATOM 1183 CG PHE A 148 15.789 19.603 3.589 1.00 81.45 C +ATOM 1184 CD1 PHE A 148 15.522 19.472 4.941 1.00 80.94 C +ATOM 1185 CD2 PHE A 148 15.786 18.468 2.793 1.00 81.08 C +ATOM 1186 CE1 PHE A 148 15.252 18.229 5.491 1.00 80.55 C +ATOM 1187 CE2 PHE A 148 15.517 17.218 3.338 1.00 80.54 C +ATOM 1188 CZ PHE A 148 15.249 17.100 4.686 1.00 80.39 C +ATOM 1189 N GLY A 149 14.850 24.177 3.466 1.00 81.06 N +ATOM 1190 CA GLY A 149 15.264 25.550 3.266 1.00 79.46 C +ATOM 1191 C GLY A 149 16.660 25.675 3.851 1.00 78.41 C +ATOM 1192 O GLY A 149 17.214 24.699 4.361 1.00 78.17 O +ATOM 1193 N GLU A 150 17.245 26.863 3.777 1.00 77.39 N +ATOM 1194 CA GLU A 150 18.574 27.074 4.328 1.00 76.58 C +ATOM 1195 C GLU A 150 18.506 26.996 5.828 1.00 76.22 C +ATOM 1196 O GLU A 150 19.483 26.681 6.503 1.00 75.79 O +ATOM 1197 CB GLU A 150 19.101 28.426 3.878 1.00 76.16 C +ATOM 1198 CG GLU A 150 19.810 28.329 2.553 1.00 77.26 C +ATOM 1199 CD GLU A 150 19.896 29.647 1.844 1.00 77.98 C +ATOM 1200 OE1 GLU A 150 20.184 30.670 2.500 1.00 78.02 O +ATOM 1201 OE2 GLU A 150 19.680 29.652 0.616 1.00 78.87 O +ATOM 1202 N ASN A 151 17.328 27.283 6.347 1.00 75.89 N +ATOM 1203 CA ASN A 151 17.094 27.227 7.770 1.00 75.16 C +ATOM 1204 C ASN A 151 17.369 25.808 8.240 1.00 74.38 C +ATOM 1205 O ASN A 151 18.169 25.611 9.156 1.00 74.46 O +ATOM 1206 CB ASN A 151 15.647 27.658 8.050 1.00 75.35 C +ATOM 1207 CG ASN A 151 14.642 27.002 7.103 1.00 76.63 C +ATOM 1208 OD1 ASN A 151 14.849 26.943 5.886 1.00 76.88 O +ATOM 1209 ND2 ASN A 151 13.535 26.521 7.663 1.00 77.13 N +ATOM 1210 N HIS A 152 16.736 24.831 7.595 1.00 73.12 N +ATOM 1211 CA HIS A 152 16.915 23.420 7.940 1.00 71.68 C +ATOM 1212 C HIS A 152 18.384 23.089 7.922 1.00 70.22 C +ATOM 1213 O HIS A 152 18.886 22.516 8.875 1.00 70.27 O +ATOM 1214 CB HIS A 152 16.183 22.521 6.936 1.00 72.39 C +ATOM 1215 CG HIS A 152 14.735 22.867 6.753 1.00 73.57 C +ATOM 1216 ND1 HIS A 152 13.981 22.392 5.699 1.00 74.39 N +ATOM 1217 CD2 HIS A 152 13.908 23.661 7.477 1.00 73.66 C +ATOM 1218 CE1 HIS A 152 12.755 22.883 5.779 1.00 74.26 C +ATOM 1219 NE2 HIS A 152 12.685 23.656 6.849 1.00 73.63 N +ATOM 1220 N ALA A 153 19.069 23.452 6.843 1.00 67.95 N +ATOM 1221 CA ALA A 153 20.493 23.187 6.718 1.00 65.40 C +ATOM 1222 C ALA A 153 21.223 23.716 7.934 1.00 63.87 C +ATOM 1223 O ALA A 153 22.113 23.061 8.474 1.00 63.31 O +ATOM 1224 CB ALA A 153 21.022 23.839 5.462 1.00 65.67 C +ATOM 1225 N ILE A 154 20.842 24.902 8.368 1.00 62.32 N +ATOM 1226 CA ILE A 154 21.464 25.505 9.521 1.00 61.08 C +ATOM 1227 C ILE A 154 21.033 24.755 10.761 1.00 61.03 C +ATOM 1228 O ILE A 154 21.677 24.812 11.791 1.00 60.59 O +ATOM 1229 CB ILE A 154 21.075 26.969 9.586 1.00 60.18 C +ATOM 1230 CG1 ILE A 154 21.396 27.614 8.242 1.00 59.07 C +ATOM 1231 CG2 ILE A 154 21.847 27.661 10.670 1.00 59.33 C +ATOM 1232 CD1 ILE A 154 20.961 29.022 8.114 1.00 58.93 C +ATOM 1233 N MET A 155 19.935 24.032 10.652 1.00 61.38 N +ATOM 1234 CA MET A 155 19.456 23.248 11.771 1.00 62.15 C +ATOM 1235 C MET A 155 20.309 22.042 11.889 1.00 60.64 C +ATOM 1236 O MET A 155 20.801 21.744 12.961 1.00 60.98 O +ATOM 1237 CB MET A 155 18.011 22.818 11.546 1.00 65.38 C +ATOM 1238 CG MET A 155 17.064 23.980 11.540 1.00 70.33 C +ATOM 1239 SD MET A 155 17.322 24.921 13.062 1.00 77.54 S +ATOM 1240 CE MET A 155 18.672 26.152 12.569 1.00 75.92 C +ATOM 1241 N GLY A 156 20.474 21.343 10.776 1.00 58.70 N +ATOM 1242 CA GLY A 156 21.287 20.154 10.771 1.00 56.37 C +ATOM 1243 C GLY A 156 22.675 20.530 11.221 1.00 55.30 C +ATOM 1244 O GLY A 156 23.258 19.860 12.065 1.00 55.43 O +ATOM 1245 N VAL A 157 23.202 21.621 10.682 1.00 53.65 N +ATOM 1246 CA VAL A 157 24.540 22.029 11.061 1.00 51.87 C +ATOM 1247 C VAL A 157 24.626 22.297 12.537 1.00 51.60 C +ATOM 1248 O VAL A 157 25.591 21.899 13.165 1.00 51.75 O +ATOM 1249 CB VAL A 157 24.988 23.262 10.291 1.00 51.25 C +ATOM 1250 CG1 VAL A 157 26.203 23.881 10.962 1.00 49.29 C +ATOM 1251 CG2 VAL A 157 25.320 22.861 8.867 1.00 50.26 C +ATOM 1252 N ALA A 158 23.628 22.962 13.096 1.00 51.63 N +ATOM 1253 CA ALA A 158 23.628 23.267 14.526 1.00 51.00 C +ATOM 1254 C ALA A 158 23.559 21.974 15.325 1.00 50.68 C +ATOM 1255 O ALA A 158 24.129 21.864 16.406 1.00 50.15 O +ATOM 1256 CB ALA A 158 22.431 24.150 14.858 1.00 50.64 C +ATOM 1257 N PHE A 159 22.855 21.000 14.772 1.00 50.67 N +ATOM 1258 CA PHE A 159 22.656 19.711 15.406 1.00 51.09 C +ATOM 1259 C PHE A 159 23.954 18.937 15.488 1.00 51.73 C +ATOM 1260 O PHE A 159 24.227 18.290 16.505 1.00 52.69 O +ATOM 1261 CB PHE A 159 21.611 18.930 14.602 1.00 50.41 C +ATOM 1262 CG PHE A 159 21.635 17.445 14.832 1.00 49.87 C +ATOM 1263 CD1 PHE A 159 21.179 16.898 16.018 1.00 50.33 C +ATOM 1264 CD2 PHE A 159 22.106 16.588 13.846 1.00 50.31 C +ATOM 1265 CE1 PHE A 159 21.189 15.515 16.218 1.00 50.73 C +ATOM 1266 CE2 PHE A 159 22.119 15.206 14.038 1.00 49.91 C +ATOM 1267 CZ PHE A 159 21.659 14.672 15.226 1.00 50.32 C +ATOM 1268 N THR A 160 24.752 18.990 14.430 1.00 51.95 N +ATOM 1269 CA THR A 160 26.001 18.252 14.420 1.00 51.81 C +ATOM 1270 C THR A 160 26.926 18.764 15.504 1.00 51.94 C +ATOM 1271 O THR A 160 27.655 17.963 16.086 1.00 52.70 O +ATOM 1272 CB THR A 160 26.708 18.343 13.052 1.00 52.08 C +ATOM 1273 OG1 THR A 160 27.057 19.704 12.777 1.00 52.82 O +ATOM 1274 CG2 THR A 160 25.810 17.821 11.955 1.00 51.87 C +ATOM 1275 N TRP A 161 26.898 20.068 15.790 1.00 51.07 N +ATOM 1276 CA TRP A 161 27.763 20.645 16.824 1.00 49.93 C +ATOM 1277 C TRP A 161 27.278 20.353 18.221 1.00 50.63 C +ATOM 1278 O TRP A 161 28.080 20.335 19.149 1.00 51.33 O +ATOM 1279 CB TRP A 161 27.866 22.144 16.679 1.00 47.98 C +ATOM 1280 CG TRP A 161 28.771 22.538 15.627 1.00 46.06 C +ATOM 1281 CD1 TRP A 161 28.479 22.671 14.301 1.00 45.75 C +ATOM 1282 CD2 TRP A 161 30.154 22.860 15.778 1.00 45.35 C +ATOM 1283 NE1 TRP A 161 29.602 23.066 13.613 1.00 45.76 N +ATOM 1284 CE2 TRP A 161 30.647 23.189 14.495 1.00 45.47 C +ATOM 1285 CE3 TRP A 161 31.029 22.902 16.872 1.00 44.44 C +ATOM 1286 CZ2 TRP A 161 31.988 23.563 14.274 1.00 44.87 C +ATOM 1287 CZ3 TRP A 161 32.364 23.275 16.654 1.00 44.19 C +ATOM 1288 CH2 TRP A 161 32.827 23.601 15.360 1.00 44.21 C +ATOM 1289 N VAL A 162 25.979 20.166 18.402 1.00 50.34 N +ATOM 1290 CA VAL A 162 25.492 19.853 19.726 1.00 49.67 C +ATOM 1291 C VAL A 162 25.884 18.429 20.015 1.00 50.07 C +ATOM 1292 O VAL A 162 26.432 18.137 21.073 1.00 49.94 O +ATOM 1293 CB VAL A 162 23.982 19.988 19.786 1.00 49.30 C +ATOM 1294 CG1 VAL A 162 23.489 19.628 21.155 1.00 48.29 C +ATOM 1295 CG2 VAL A 162 23.592 21.404 19.422 1.00 49.06 C +ATOM 1296 N MET A 163 25.637 17.551 19.049 1.00 49.90 N +ATOM 1297 CA MET A 163 25.950 16.138 19.205 1.00 50.69 C +ATOM 1298 C MET A 163 27.428 15.904 19.382 1.00 50.67 C +ATOM 1299 O MET A 163 27.811 15.115 20.232 1.00 51.31 O +ATOM 1300 CB MET A 163 25.460 15.351 17.995 1.00 51.15 C +ATOM 1301 CG MET A 163 23.969 15.433 17.789 1.00 53.03 C +ATOM 1302 SD MET A 163 23.114 15.106 19.346 1.00 54.85 S +ATOM 1303 CE MET A 163 23.521 13.367 19.596 1.00 54.03 C +ATOM 1304 N ALA A 164 28.248 16.583 18.587 1.00 50.10 N +ATOM 1305 CA ALA A 164 29.692 16.415 18.646 1.00 49.70 C +ATOM 1306 C ALA A 164 30.241 16.946 19.940 1.00 49.68 C +ATOM 1307 O ALA A 164 31.168 16.350 20.496 1.00 49.84 O +ATOM 1308 CB ALA A 164 30.339 17.122 17.478 1.00 49.80 C +ATOM 1309 N LEU A 165 29.694 18.064 20.412 1.00 49.26 N +ATOM 1310 CA LEU A 165 30.136 18.676 21.668 1.00 48.67 C +ATOM 1311 C LEU A 165 29.749 17.765 22.823 1.00 48.90 C +ATOM 1312 O LEU A 165 30.493 17.645 23.806 1.00 49.30 O +ATOM 1313 CB LEU A 165 29.475 20.054 21.867 1.00 48.34 C +ATOM 1314 CG LEU A 165 30.150 21.363 21.437 1.00 46.62 C +ATOM 1315 CD1 LEU A 165 31.448 21.542 22.180 1.00 47.34 C +ATOM 1316 CD2 LEU A 165 30.410 21.358 19.975 1.00 47.54 C +ATOM 1317 N ALA A 166 28.587 17.131 22.696 1.00 48.39 N +ATOM 1318 CA ALA A 166 28.072 16.231 23.716 1.00 48.49 C +ATOM 1319 C ALA A 166 29.048 15.103 23.951 1.00 48.71 C +ATOM 1320 O ALA A 166 29.078 14.491 25.009 1.00 49.40 O +ATOM 1321 CB ALA A 166 26.734 15.670 23.267 1.00 48.51 C +ATOM 1322 N CYS A 167 29.869 14.832 22.961 1.00 48.58 N +ATOM 1323 CA CYS A 167 30.798 13.745 23.079 1.00 48.67 C +ATOM 1324 C CYS A 167 32.197 14.249 23.365 1.00 47.54 C +ATOM 1325 O CYS A 167 32.901 13.674 24.187 1.00 48.01 O +ATOM 1326 CB CYS A 167 30.758 12.958 21.773 1.00 50.36 C +ATOM 1327 SG CYS A 167 31.891 11.577 21.692 1.00 57.46 S +ATOM 1328 N ALA A 168 32.589 15.341 22.728 1.00 45.83 N +ATOM 1329 CA ALA A 168 33.949 15.838 22.878 1.00 44.72 C +ATOM 1330 C ALA A 168 34.193 16.692 24.106 1.00 43.65 C +ATOM 1331 O ALA A 168 35.280 16.618 24.685 1.00 42.95 O +ATOM 1332 CB ALA A 168 34.348 16.603 21.612 1.00 44.62 C +ATOM 1333 N ALA A 169 33.218 17.488 24.515 1.00 42.87 N +ATOM 1334 CA ALA A 169 33.419 18.382 25.646 1.00 42.10 C +ATOM 1335 C ALA A 169 33.424 17.693 27.039 1.00 41.82 C +ATOM 1336 O ALA A 169 34.183 18.121 27.931 1.00 41.90 O +ATOM 1337 CB ALA A 169 32.379 19.490 25.591 1.00 42.54 C +ATOM 1338 N PRO A 170 32.608 16.640 27.251 1.00 41.12 N +ATOM 1339 CA PRO A 170 32.605 15.991 28.569 1.00 39.82 C +ATOM 1340 C PRO A 170 33.964 15.691 29.159 1.00 40.31 C +ATOM 1341 O PRO A 170 34.200 15.999 30.303 1.00 41.21 O +ATOM 1342 CB PRO A 170 31.797 14.721 28.336 1.00 40.50 C +ATOM 1343 CG PRO A 170 30.870 15.102 27.234 1.00 40.56 C +ATOM 1344 CD PRO A 170 31.735 15.921 26.307 1.00 41.38 C +ATOM 1345 N PRO A 171 34.875 15.077 28.393 1.00 40.95 N +ATOM 1346 CA PRO A 171 36.227 14.744 28.884 1.00 41.03 C +ATOM 1347 C PRO A 171 37.085 15.909 29.411 1.00 41.77 C +ATOM 1348 O PRO A 171 38.118 15.684 30.074 1.00 41.77 O +ATOM 1349 CB PRO A 171 36.868 14.056 27.676 1.00 41.01 C +ATOM 1350 CG PRO A 171 35.684 13.389 26.997 1.00 40.91 C +ATOM 1351 CD PRO A 171 34.636 14.475 27.065 1.00 40.85 C +ATOM 1352 N LEU A 172 36.662 17.136 29.119 1.00 41.95 N +ATOM 1353 CA LEU A 172 37.382 18.342 29.549 1.00 41.73 C +ATOM 1354 C LEU A 172 36.850 18.819 30.889 1.00 42.15 C +ATOM 1355 O LEU A 172 37.453 19.715 31.512 1.00 42.03 O +ATOM 1356 CB LEU A 172 37.164 19.470 28.543 1.00 39.83 C +ATOM 1357 CG LEU A 172 37.552 19.222 27.102 1.00 38.70 C +ATOM 1358 CD1 LEU A 172 37.045 20.367 26.264 1.00 37.69 C +ATOM 1359 CD2 LEU A 172 39.041 19.077 26.993 1.00 36.98 C +ATOM 1360 N VAL A 173 35.746 18.219 31.337 1.00 42.45 N +ATOM 1361 CA VAL A 173 35.089 18.649 32.573 1.00 42.52 C +ATOM 1362 C VAL A 173 34.743 17.517 33.555 1.00 43.16 C +ATOM 1363 O VAL A 173 33.668 17.567 34.176 1.00 43.48 O +ATOM 1364 CB VAL A 173 33.807 19.434 32.211 1.00 41.55 C +ATOM 1365 CG1 VAL A 173 34.182 20.614 31.359 1.00 39.95 C +ATOM 1366 CG2 VAL A 173 32.823 18.536 31.452 1.00 39.88 C +ATOM 1367 N GLY A 174 35.602 16.508 33.693 1.00 43.12 N +ATOM 1368 CA GLY A 174 35.317 15.464 34.661 1.00 42.21 C +ATOM 1369 C GLY A 174 34.663 14.163 34.257 1.00 42.40 C +ATOM 1370 O GLY A 174 34.508 13.280 35.113 1.00 43.45 O +ATOM 1371 N TRP A 175 34.237 14.023 33.008 1.00 41.81 N +ATOM 1372 CA TRP A 175 33.659 12.754 32.604 1.00 41.74 C +ATOM 1373 C TRP A 175 34.600 12.145 31.618 1.00 42.81 C +ATOM 1374 O TRP A 175 34.651 12.595 30.477 1.00 44.24 O +ATOM 1375 CB TRP A 175 32.287 12.910 31.975 1.00 40.47 C +ATOM 1376 CG TRP A 175 31.582 11.586 31.932 1.00 39.79 C +ATOM 1377 CD1 TRP A 175 31.874 10.486 32.688 1.00 40.04 C +ATOM 1378 CD2 TRP A 175 30.448 11.232 31.132 1.00 39.24 C +ATOM 1379 NE1 TRP A 175 30.993 9.471 32.410 1.00 39.56 N +ATOM 1380 CE2 TRP A 175 30.107 9.902 31.460 1.00 39.50 C +ATOM 1381 CE3 TRP A 175 29.689 11.909 30.171 1.00 38.45 C +ATOM 1382 CZ2 TRP A 175 29.037 9.235 30.862 1.00 39.21 C +ATOM 1383 CZ3 TRP A 175 28.632 11.248 29.577 1.00 39.17 C +ATOM 1384 CH2 TRP A 175 28.313 9.922 29.925 1.00 38.83 C +ATOM 1385 N SER A 176 35.311 11.100 32.053 1.00 42.67 N +ATOM 1386 CA SER A 176 36.347 10.465 31.255 1.00 41.40 C +ATOM 1387 C SER A 176 37.414 11.519 31.147 1.00 41.23 C +ATOM 1388 O SER A 176 37.366 12.483 31.914 1.00 41.58 O +ATOM 1389 CB SER A 176 35.859 10.079 29.863 1.00 41.73 C +ATOM 1390 OG SER A 176 36.951 9.609 29.076 1.00 40.77 O +ATOM 1391 N ARG A 177 38.350 11.384 30.216 1.00 40.19 N +ATOM 1392 CA ARG A 177 39.414 12.381 30.079 1.00 39.67 C +ATOM 1393 C ARG A 177 40.251 12.049 28.864 1.00 39.46 C +ATOM 1394 O ARG A 177 40.140 10.938 28.349 1.00 40.15 O +ATOM 1395 CB ARG A 177 40.310 12.381 31.329 1.00 38.73 C +ATOM 1396 CG ARG A 177 40.951 11.026 31.600 1.00 39.05 C +ATOM 1397 CD ARG A 177 41.836 10.996 32.834 1.00 40.05 C +ATOM 1398 NE ARG A 177 42.356 9.645 33.055 1.00 40.95 N +ATOM 1399 CZ ARG A 177 43.162 9.286 34.057 1.00 42.57 C +ATOM 1400 NH1 ARG A 177 43.560 10.179 34.963 1.00 43.16 N +ATOM 1401 NH2 ARG A 177 43.580 8.022 34.154 1.00 41.61 N +ATOM 1402 N TYR A 178 41.059 13.002 28.393 1.00 38.66 N +ATOM 1403 CA TYR A 178 41.936 12.759 27.251 1.00 37.45 C +ATOM 1404 C TYR A 178 43.287 12.313 27.807 1.00 37.58 C +ATOM 1405 O TYR A 178 43.781 12.855 28.804 1.00 36.71 O +ATOM 1406 CB TYR A 178 42.065 14.015 26.366 1.00 37.70 C +ATOM 1407 CG TYR A 178 40.809 14.338 25.570 1.00 36.91 C +ATOM 1408 CD1 TYR A 178 40.375 13.501 24.541 1.00 36.51 C +ATOM 1409 CD2 TYR A 178 40.020 15.446 25.894 1.00 37.15 C +ATOM 1410 CE1 TYR A 178 39.187 13.751 23.859 1.00 36.72 C +ATOM 1411 CE2 TYR A 178 38.819 15.710 25.215 1.00 36.95 C +ATOM 1412 CZ TYR A 178 38.410 14.855 24.202 1.00 36.97 C +ATOM 1413 OH TYR A 178 37.214 15.094 23.557 1.00 37.15 O +ATOM 1414 N ILE A 179 43.876 11.322 27.155 1.00 37.51 N +ATOM 1415 CA ILE A 179 45.117 10.728 27.610 1.00 36.95 C +ATOM 1416 C ILE A 179 45.941 10.359 26.375 1.00 37.42 C +ATOM 1417 O ILE A 179 45.396 9.942 25.361 1.00 37.79 O +ATOM 1418 CB ILE A 179 44.756 9.481 28.483 1.00 36.62 C +ATOM 1419 CG1 ILE A 179 45.918 9.041 29.356 1.00 37.83 C +ATOM 1420 CG2 ILE A 179 44.303 8.329 27.600 1.00 36.72 C +ATOM 1421 CD1 ILE A 179 45.514 7.891 30.327 1.00 38.26 C +ATOM 1422 N PRO A 180 47.263 10.535 26.433 1.00 38.16 N +ATOM 1423 CA PRO A 180 48.078 10.194 25.260 1.00 38.06 C +ATOM 1424 C PRO A 180 48.011 8.711 24.827 1.00 38.53 C +ATOM 1425 O PRO A 180 47.844 7.862 25.669 1.00 38.73 O +ATOM 1426 CB PRO A 180 49.465 10.674 25.680 1.00 37.57 C +ATOM 1427 CG PRO A 180 49.392 10.686 27.212 1.00 37.02 C +ATOM 1428 CD PRO A 180 48.056 11.187 27.490 1.00 36.72 C +ATOM 1429 N GLU A 181 48.138 8.417 23.528 1.00 39.65 N +ATOM 1430 CA GLU A 181 48.053 7.029 23.009 1.00 40.66 C +ATOM 1431 C GLU A 181 49.204 6.657 22.044 1.00 40.48 C +ATOM 1432 O GLU A 181 49.820 7.538 21.435 1.00 40.85 O +ATOM 1433 CB GLU A 181 46.744 6.806 22.239 1.00 42.11 C +ATOM 1434 CG GLU A 181 45.458 7.265 22.882 1.00 45.12 C +ATOM 1435 CD GLU A 181 44.271 6.967 21.995 1.00 47.26 C +ATOM 1436 OE1 GLU A 181 43.873 5.794 21.903 1.00 47.86 O +ATOM 1437 OE2 GLU A 181 43.746 7.899 21.363 1.00 48.43 O +ATOM 1438 N GLY A 182 49.441 5.350 21.874 1.00 39.75 N +ATOM 1439 CA GLY A 182 50.482 4.889 20.977 1.00 39.66 C +ATOM 1440 C GLY A 182 51.850 5.364 21.407 1.00 40.26 C +ATOM 1441 O GLY A 182 52.271 5.087 22.520 1.00 40.55 O +ATOM 1442 N MET A 183 52.549 6.084 20.533 1.00 40.32 N +ATOM 1443 CA MET A 183 53.877 6.600 20.884 1.00 41.48 C +ATOM 1444 C MET A 183 53.762 7.802 21.808 1.00 41.05 C +ATOM 1445 O MET A 183 54.766 8.469 22.090 1.00 41.23 O +ATOM 1446 CB MET A 183 54.665 6.961 19.625 1.00 41.95 C +ATOM 1447 CG MET A 183 55.354 5.747 19.014 1.00 42.24 C +ATOM 1448 SD MET A 183 55.964 6.014 17.365 1.00 43.88 S +ATOM 1449 CE MET A 183 54.817 5.069 16.464 1.00 42.17 C +ATOM 1450 N GLN A 184 52.531 8.064 22.252 1.00 40.09 N +ATOM 1451 CA GLN A 184 52.197 9.141 23.179 1.00 39.51 C +ATOM 1452 C GLN A 184 52.287 10.527 22.557 1.00 39.04 C +ATOM 1453 O GLN A 184 52.568 11.477 23.273 1.00 38.97 O +ATOM 1454 CB GLN A 184 53.107 9.042 24.407 1.00 39.27 C +ATOM 1455 CG GLN A 184 53.196 7.626 25.021 1.00 37.25 C +ATOM 1456 CD GLN A 184 51.930 7.198 25.732 1.00 36.81 C +ATOM 1457 OE1 GLN A 184 51.589 7.724 26.789 1.00 36.30 O +ATOM 1458 NE2 GLN A 184 51.226 6.239 25.151 1.00 35.29 N +ATOM 1459 N CYS A 185 52.028 10.654 21.256 1.00 38.61 N +ATOM 1460 CA CYS A 185 52.097 11.948 20.595 1.00 38.03 C +ATOM 1461 C CYS A 185 50.740 12.400 20.162 1.00 37.83 C +ATOM 1462 O CYS A 185 50.600 13.481 19.574 1.00 36.34 O +ATOM 1463 CB CYS A 185 53.061 11.874 19.429 1.00 39.82 C +ATOM 1464 SG CYS A 185 54.756 11.764 20.042 1.00 44.32 S +ATOM 1465 N SER A 186 49.739 11.569 20.459 1.00 38.12 N +ATOM 1466 CA SER A 186 48.334 11.856 20.169 1.00 38.51 C +ATOM 1467 C SER A 186 47.545 11.636 21.453 1.00 39.02 C +ATOM 1468 O SER A 186 48.055 11.015 22.393 1.00 38.21 O +ATOM 1469 CB SER A 186 47.786 10.961 19.033 1.00 38.94 C +ATOM 1470 OG SER A 186 47.746 9.581 19.361 1.00 40.47 O +ATOM 1471 N CYS A 187 46.323 12.153 21.511 1.00 39.54 N +ATOM 1472 CA CYS A 187 45.500 11.992 22.704 1.00 40.74 C +ATOM 1473 C CYS A 187 44.072 11.598 22.366 1.00 41.86 C +ATOM 1474 O CYS A 187 43.460 12.189 21.477 1.00 42.52 O +ATOM 1475 CB CYS A 187 45.531 13.284 23.537 1.00 40.72 C +ATOM 1476 SG CYS A 187 46.922 13.230 24.703 1.00 42.97 S +ATOM 1477 N GLY A 188 43.555 10.598 23.075 1.00 41.88 N +ATOM 1478 CA GLY A 188 42.189 10.145 22.862 1.00 42.02 C +ATOM 1479 C GLY A 188 41.430 9.980 24.172 1.00 42.54 C +ATOM 1480 O GLY A 188 41.866 10.475 25.207 1.00 43.28 O +ATOM 1481 N ILE A 189 40.278 9.305 24.135 1.00 42.41 N +ATOM 1482 CA ILE A 189 39.457 9.085 25.338 1.00 42.29 C +ATOM 1483 C ILE A 189 40.150 8.038 26.214 1.00 43.31 C +ATOM 1484 O ILE A 189 41.098 7.422 25.742 1.00 44.00 O +ATOM 1485 CB ILE A 189 38.010 8.626 24.941 1.00 41.27 C +ATOM 1486 CG1 ILE A 189 37.301 9.745 24.155 1.00 40.78 C +ATOM 1487 CG2 ILE A 189 37.210 8.244 26.174 1.00 40.68 C +ATOM 1488 CD1 ILE A 189 37.221 11.092 24.870 1.00 39.65 C +ATOM 1489 N ASP A 190 39.713 7.813 27.454 1.00 43.60 N +ATOM 1490 CA ASP A 190 40.406 6.828 28.296 1.00 44.53 C +ATOM 1491 C ASP A 190 39.777 5.414 28.272 1.00 44.73 C +ATOM 1492 O ASP A 190 38.776 5.170 28.976 1.00 45.25 O +ATOM 1493 CB ASP A 190 40.478 7.325 29.736 1.00 46.44 C +ATOM 1494 CG ASP A 190 41.617 6.687 30.506 1.00 48.41 C +ATOM 1495 OD1 ASP A 190 42.024 5.567 30.122 1.00 50.18 O +ATOM 1496 OD2 ASP A 190 42.098 7.293 31.492 1.00 49.77 O +ATOM 1497 N TYR A 191 40.381 4.502 27.494 1.00 44.95 N +ATOM 1498 CA TYR A 191 39.927 3.104 27.357 1.00 45.17 C +ATOM 1499 C TYR A 191 40.880 2.226 28.105 1.00 45.39 C +ATOM 1500 O TYR A 191 40.668 1.017 28.187 1.00 45.56 O +ATOM 1501 CB TYR A 191 39.995 2.617 25.901 1.00 45.74 C +ATOM 1502 CG TYR A 191 39.814 3.675 24.829 1.00 46.33 C +ATOM 1503 CD1 TYR A 191 38.550 4.220 24.560 1.00 45.84 C +ATOM 1504 CD2 TYR A 191 40.907 4.144 24.094 1.00 45.69 C +ATOM 1505 CE1 TYR A 191 38.378 5.206 23.590 1.00 46.41 C +ATOM 1506 CE2 TYR A 191 40.746 5.132 23.123 1.00 46.72 C +ATOM 1507 CZ TYR A 191 39.478 5.664 22.875 1.00 46.92 C +ATOM 1508 OH TYR A 191 39.306 6.668 21.938 1.00 47.50 O +ATOM 1509 N TYR A 192 41.926 2.845 28.642 1.00 45.80 N +ATOM 1510 CA TYR A 192 43.004 2.137 29.321 1.00 46.96 C +ATOM 1511 C TYR A 192 42.786 1.853 30.794 1.00 47.86 C +ATOM 1512 O TYR A 192 43.030 0.723 31.202 1.00 48.32 O +ATOM 1513 CB TYR A 192 44.321 2.911 29.139 1.00 46.68 C +ATOM 1514 CG TYR A 192 44.643 3.205 27.686 1.00 46.72 C +ATOM 1515 CD1 TYR A 192 44.065 4.297 27.030 1.00 47.08 C +ATOM 1516 CD2 TYR A 192 45.464 2.348 26.940 1.00 46.14 C +ATOM 1517 CE1 TYR A 192 44.290 4.527 25.670 1.00 47.12 C +ATOM 1518 CE2 TYR A 192 45.695 2.569 25.579 1.00 46.18 C +ATOM 1519 CZ TYR A 192 45.102 3.658 24.954 1.00 47.28 C +ATOM 1520 OH TYR A 192 45.287 3.873 23.606 1.00 48.57 O +ATOM 1521 N THR A 193 42.357 2.840 31.585 1.00 48.40 N +ATOM 1522 CA THR A 193 42.177 2.654 33.028 1.00 48.38 C +ATOM 1523 C THR A 193 40.724 2.801 33.439 1.00 49.38 C +ATOM 1524 O THR A 193 39.944 3.474 32.757 1.00 49.86 O +ATOM 1525 CB THR A 193 43.035 3.683 33.807 1.00 48.37 C +ATOM 1526 OG1 THR A 193 42.482 5.000 33.656 1.00 48.00 O +ATOM 1527 CG2 THR A 193 44.460 3.696 33.256 1.00 48.07 C +ATOM 1528 N PRO A 194 40.324 2.158 34.546 1.00 50.07 N +ATOM 1529 CA PRO A 194 38.913 2.344 34.891 1.00 50.54 C +ATOM 1530 C PRO A 194 38.674 3.672 35.645 1.00 50.55 C +ATOM 1531 O PRO A 194 37.515 4.037 35.851 1.00 51.07 O +ATOM 1532 CB PRO A 194 38.588 1.098 35.732 1.00 50.48 C +ATOM 1533 CG PRO A 194 39.611 0.088 35.293 1.00 50.92 C +ATOM 1534 CD PRO A 194 40.857 0.947 35.188 1.00 50.64 C +ATOM 1535 N HIS A 195 39.757 4.372 36.021 1.00 50.04 N +ATOM 1536 CA HIS A 195 39.734 5.670 36.756 1.00 49.91 C +ATOM 1537 C HIS A 195 38.309 6.085 37.150 1.00 50.30 C +ATOM 1538 O HIS A 195 37.689 6.919 36.467 1.00 50.57 O +ATOM 1539 CB HIS A 195 40.390 6.798 35.912 1.00 49.23 C +ATOM 1540 CG HIS A 195 40.839 8.004 36.702 1.00 47.75 C +ATOM 1541 ND1 HIS A 195 40.555 9.297 36.311 1.00 48.65 N +ATOM 1542 CD2 HIS A 195 41.623 8.115 37.801 1.00 47.60 C +ATOM 1543 CE1 HIS A 195 41.146 10.149 37.131 1.00 48.45 C +ATOM 1544 NE2 HIS A 195 41.802 9.457 38.044 1.00 48.13 N +ATOM 1545 N GLU A 196 37.812 5.511 38.246 1.00 50.26 N +ATOM 1546 CA GLU A 196 36.479 5.793 38.761 1.00 50.10 C +ATOM 1547 C GLU A 196 36.321 7.271 39.080 1.00 50.43 C +ATOM 1548 O GLU A 196 35.254 7.826 38.854 1.00 50.79 O +ATOM 1549 CB GLU A 196 36.238 4.967 40.026 1.00 50.18 C +ATOM 1550 CG GLU A 196 36.216 3.464 39.810 1.00 51.64 C +ATOM 1551 CD GLU A 196 36.165 2.672 41.118 1.00 53.79 C +ATOM 1552 OE1 GLU A 196 35.492 3.119 42.088 1.00 54.20 O +ATOM 1553 OE2 GLU A 196 36.794 1.587 41.169 1.00 53.74 O +ATOM 1554 N GLU A 197 37.381 7.892 39.597 1.00 50.64 N +ATOM 1555 CA GLU A 197 37.417 9.309 39.999 1.00 51.50 C +ATOM 1556 C GLU A 197 36.842 10.245 38.938 1.00 50.78 C +ATOM 1557 O GLU A 197 36.362 11.314 39.261 1.00 50.14 O +ATOM 1558 CB GLU A 197 38.874 9.698 40.289 1.00 54.11 C +ATOM 1559 CG GLU A 197 39.094 11.064 40.943 1.00 60.24 C +ATOM 1560 CD GLU A 197 40.575 11.525 40.882 1.00 64.68 C +ATOM 1561 OE1 GLU A 197 41.498 10.688 41.086 1.00 67.43 O +ATOM 1562 OE2 GLU A 197 40.815 12.735 40.636 1.00 66.42 O +ATOM 1563 N THR A 198 36.884 9.833 37.682 1.00 50.45 N +ATOM 1564 CA THR A 198 36.420 10.661 36.590 1.00 48.93 C +ATOM 1565 C THR A 198 35.379 9.904 35.749 1.00 49.43 C +ATOM 1566 O THR A 198 34.978 10.381 34.698 1.00 49.54 O +ATOM 1567 CB THR A 198 37.661 11.113 35.759 1.00 48.31 C +ATOM 1568 OG1 THR A 198 37.384 12.351 35.102 1.00 48.14 O +ATOM 1569 CG2 THR A 198 38.051 10.060 34.745 1.00 45.82 C +ATOM 1570 N ASN A 199 34.960 8.730 36.228 1.00 49.78 N +ATOM 1571 CA ASN A 199 33.922 7.881 35.607 1.00 49.69 C +ATOM 1572 C ASN A 199 34.178 7.517 34.175 1.00 49.37 C +ATOM 1573 O ASN A 199 33.310 7.763 33.342 1.00 49.34 O +ATOM 1574 CB ASN A 199 32.576 8.576 35.684 1.00 50.45 C +ATOM 1575 CG ASN A 199 32.150 8.825 37.098 1.00 52.01 C +ATOM 1576 OD1 ASN A 199 32.522 9.827 37.728 1.00 53.96 O +ATOM 1577 ND2 ASN A 199 31.382 7.898 37.628 1.00 53.86 N +ATOM 1578 N ASN A 200 35.312 6.872 33.904 1.00 48.73 N +ATOM 1579 CA ASN A 200 35.735 6.499 32.548 1.00 47.17 C +ATOM 1580 C ASN A 200 34.948 5.383 31.908 1.00 46.82 C +ATOM 1581 O ASN A 200 34.502 5.540 30.786 1.00 47.46 O +ATOM 1582 CB ASN A 200 37.214 6.098 32.545 1.00 46.08 C +ATOM 1583 CG ASN A 200 38.139 7.276 32.710 1.00 44.59 C +ATOM 1584 OD1 ASN A 200 37.707 8.406 32.911 1.00 42.98 O +ATOM 1585 ND2 ASN A 200 39.432 7.011 32.628 1.00 43.85 N +ATOM 1586 N GLU A 201 34.793 4.254 32.579 1.00 46.34 N +ATOM 1587 CA GLU A 201 34.104 3.142 31.940 1.00 46.63 C +ATOM 1588 C GLU A 201 32.696 3.514 31.392 1.00 46.67 C +ATOM 1589 O GLU A 201 32.325 3.064 30.296 1.00 47.23 O +ATOM 1590 CB GLU A 201 34.053 1.953 32.902 1.00 46.27 C +ATOM 1591 CG GLU A 201 35.426 1.505 33.407 1.00 45.66 C +ATOM 1592 CD GLU A 201 35.955 0.240 32.737 1.00 45.65 C +ATOM 1593 OE1 GLU A 201 35.150 -0.665 32.426 1.00 46.06 O +ATOM 1594 OE2 GLU A 201 37.189 0.141 32.553 1.00 45.97 O +ATOM 1595 N SER A 202 31.932 4.336 32.107 1.00 46.62 N +ATOM 1596 CA SER A 202 30.587 4.706 31.651 1.00 45.67 C +ATOM 1597 C SER A 202 30.618 5.603 30.425 1.00 45.51 C +ATOM 1598 O SER A 202 29.815 5.408 29.523 1.00 45.99 O +ATOM 1599 CB SER A 202 29.827 5.401 32.772 1.00 44.60 C +ATOM 1600 OG SER A 202 30.610 6.442 33.320 1.00 47.30 O +ATOM 1601 N PHE A 203 31.516 6.581 30.390 1.00 45.30 N +ATOM 1602 CA PHE A 203 31.605 7.472 29.244 1.00 45.00 C +ATOM 1603 C PHE A 203 31.922 6.688 27.984 1.00 45.16 C +ATOM 1604 O PHE A 203 31.333 6.952 26.947 1.00 45.42 O +ATOM 1605 CB PHE A 203 32.691 8.525 29.459 1.00 45.24 C +ATOM 1606 CG PHE A 203 32.809 9.496 28.322 1.00 45.31 C +ATOM 1607 CD1 PHE A 203 32.065 10.670 28.314 1.00 44.90 C +ATOM 1608 CD2 PHE A 203 33.616 9.207 27.230 1.00 44.67 C +ATOM 1609 CE1 PHE A 203 32.117 11.545 27.234 1.00 44.53 C +ATOM 1610 CE2 PHE A 203 33.676 10.073 26.148 1.00 44.43 C +ATOM 1611 CZ PHE A 203 32.924 11.246 26.149 1.00 44.69 C +ATOM 1612 N VAL A 204 32.848 5.732 28.071 1.00 45.43 N +ATOM 1613 CA VAL A 204 33.254 4.917 26.914 1.00 45.73 C +ATOM 1614 C VAL A 204 32.061 4.168 26.311 1.00 46.38 C +ATOM 1615 O VAL A 204 31.962 4.031 25.093 1.00 46.73 O +ATOM 1616 CB VAL A 204 34.389 3.900 27.301 1.00 45.53 C +ATOM 1617 CG1 VAL A 204 34.646 2.931 26.162 1.00 45.13 C +ATOM 1618 CG2 VAL A 204 35.685 4.648 27.632 1.00 44.29 C +ATOM 1619 N ILE A 205 31.156 3.683 27.146 1.00 47.40 N +ATOM 1620 CA ILE A 205 29.992 2.978 26.634 1.00 48.58 C +ATOM 1621 C ILE A 205 29.020 4.003 26.098 1.00 49.07 C +ATOM 1622 O ILE A 205 28.325 3.739 25.116 1.00 48.24 O +ATOM 1623 CB ILE A 205 29.350 2.132 27.751 1.00 49.24 C +ATOM 1624 CG1 ILE A 205 30.329 1.029 28.156 1.00 49.42 C +ATOM 1625 CG2 ILE A 205 28.041 1.533 27.279 1.00 48.97 C +ATOM 1626 CD1 ILE A 205 30.070 0.434 29.498 1.00 51.00 C +ATOM 1627 N TYR A 206 29.002 5.178 26.728 1.00 50.30 N +ATOM 1628 CA TYR A 206 28.121 6.259 26.308 1.00 52.22 C +ATOM 1629 C TYR A 206 28.539 6.743 24.926 1.00 53.48 C +ATOM 1630 O TYR A 206 27.691 7.131 24.123 1.00 55.09 O +ATOM 1631 CB TYR A 206 28.197 7.423 27.305 1.00 51.93 C +ATOM 1632 CG TYR A 206 27.952 8.798 26.694 1.00 52.72 C +ATOM 1633 CD1 TYR A 206 26.670 9.201 26.287 1.00 52.60 C +ATOM 1634 CD2 TYR A 206 29.009 9.702 26.529 1.00 53.16 C +ATOM 1635 CE1 TYR A 206 26.455 10.465 25.742 1.00 52.06 C +ATOM 1636 CE2 TYR A 206 28.806 10.963 25.985 1.00 52.88 C +ATOM 1637 CZ TYR A 206 27.531 11.333 25.598 1.00 52.25 C +ATOM 1638 OH TYR A 206 27.342 12.582 25.071 1.00 51.99 O +ATOM 1639 N MET A 207 29.834 6.706 24.642 1.00 53.51 N +ATOM 1640 CA MET A 207 30.335 7.171 23.358 1.00 53.61 C +ATOM 1641 C MET A 207 30.164 6.136 22.239 1.00 52.68 C +ATOM 1642 O MET A 207 29.827 6.500 21.107 1.00 52.69 O +ATOM 1643 CB MET A 207 31.802 7.544 23.502 1.00 55.09 C +ATOM 1644 CG MET A 207 32.461 7.907 22.190 1.00 57.54 C +ATOM 1645 SD MET A 207 34.246 8.086 22.339 1.00 61.37 S +ATOM 1646 CE MET A 207 34.757 6.330 22.437 1.00 60.41 C +ATOM 1647 N PHE A 208 30.401 4.866 22.540 1.00 51.97 N +ATOM 1648 CA PHE A 208 30.286 3.817 21.540 1.00 50.74 C +ATOM 1649 C PHE A 208 28.861 3.534 21.193 1.00 50.76 C +ATOM 1650 O PHE A 208 28.625 2.954 20.158 1.00 50.91 O +ATOM 1651 CB PHE A 208 30.932 2.539 22.038 1.00 50.94 C +ATOM 1652 CG PHE A 208 32.398 2.446 21.752 1.00 52.60 C +ATOM 1653 CD1 PHE A 208 32.857 2.349 20.446 1.00 52.88 C +ATOM 1654 CD2 PHE A 208 33.329 2.430 22.789 1.00 53.37 C +ATOM 1655 CE1 PHE A 208 34.221 2.237 20.174 1.00 53.22 C +ATOM 1656 CE2 PHE A 208 34.696 2.317 22.526 1.00 53.05 C +ATOM 1657 CZ PHE A 208 35.141 2.221 21.218 1.00 52.74 C +ATOM 1658 N VAL A 209 27.908 3.920 22.039 1.00 50.75 N +ATOM 1659 CA VAL A 209 26.496 3.653 21.733 1.00 50.80 C +ATOM 1660 C VAL A 209 25.829 4.883 21.156 1.00 50.29 C +ATOM 1661 O VAL A 209 25.279 4.812 20.052 1.00 51.20 O +ATOM 1662 CB VAL A 209 25.684 3.184 22.990 1.00 50.82 C +ATOM 1663 CG1 VAL A 209 24.236 2.891 22.584 1.00 50.37 C +ATOM 1664 CG2 VAL A 209 26.323 1.917 23.615 1.00 49.46 C +ATOM 1665 N VAL A 210 25.881 5.997 21.880 1.00 49.77 N +ATOM 1666 CA VAL A 210 25.269 7.244 21.430 1.00 49.56 C +ATOM 1667 C VAL A 210 26.011 7.849 20.265 1.00 49.80 C +ATOM 1668 O VAL A 210 25.382 8.391 19.354 1.00 50.58 O +ATOM 1669 CB VAL A 210 25.247 8.311 22.546 1.00 49.01 C +ATOM 1670 CG1 VAL A 210 24.818 9.674 21.980 1.00 47.69 C +ATOM 1671 CG2 VAL A 210 24.322 7.864 23.662 1.00 48.35 C +ATOM 1672 N HIS A 211 27.333 7.767 20.277 1.00 49.00 N +ATOM 1673 CA HIS A 211 28.098 8.383 19.214 1.00 47.74 C +ATOM 1674 C HIS A 211 28.841 7.391 18.373 1.00 47.31 C +ATOM 1675 O HIS A 211 30.042 7.532 18.186 1.00 47.03 O +ATOM 1676 CB HIS A 211 29.045 9.388 19.831 1.00 47.36 C +ATOM 1677 CG HIS A 211 28.353 10.363 20.719 1.00 47.80 C +ATOM 1678 ND1 HIS A 211 27.520 11.341 20.231 1.00 48.32 N +ATOM 1679 CD2 HIS A 211 28.311 10.467 22.067 1.00 48.76 C +ATOM 1680 CE1 HIS A 211 26.990 12.009 21.239 1.00 49.29 C +ATOM 1681 NE2 HIS A 211 27.454 11.497 22.366 1.00 49.62 N +ATOM 1682 N PHE A 212 28.134 6.391 17.856 1.00 46.74 N +ATOM 1683 CA PHE A 212 28.755 5.393 16.992 1.00 46.24 C +ATOM 1684 C PHE A 212 27.747 4.343 16.527 1.00 46.45 C +ATOM 1685 O PHE A 212 27.249 4.425 15.416 1.00 46.26 O +ATOM 1686 CB PHE A 212 29.939 4.721 17.700 1.00 45.19 C +ATOM 1687 CG PHE A 212 30.666 3.724 16.843 1.00 44.12 C +ATOM 1688 CD1 PHE A 212 31.090 4.064 15.572 1.00 43.92 C +ATOM 1689 CD2 PHE A 212 30.948 2.454 17.316 1.00 43.85 C +ATOM 1690 CE1 PHE A 212 31.791 3.149 14.786 1.00 44.20 C +ATOM 1691 CE2 PHE A 212 31.646 1.533 16.537 1.00 43.68 C +ATOM 1692 CZ PHE A 212 32.069 1.881 15.273 1.00 42.90 C +ATOM 1693 N ILE A 213 27.498 3.337 17.355 1.00 46.90 N +ATOM 1694 CA ILE A 213 26.576 2.285 16.971 1.00 47.47 C +ATOM 1695 C ILE A 213 25.302 2.886 16.458 1.00 47.54 C +ATOM 1696 O ILE A 213 24.852 2.532 15.378 1.00 47.74 O +ATOM 1697 CB ILE A 213 26.225 1.369 18.149 1.00 47.75 C +ATOM 1698 CG1 ILE A 213 27.460 0.619 18.620 1.00 46.79 C +ATOM 1699 CG2 ILE A 213 25.183 0.368 17.716 1.00 47.36 C +ATOM 1700 CD1 ILE A 213 27.193 -0.213 19.838 1.00 47.73 C +ATOM 1701 N ILE A 214 24.742 3.811 17.219 1.00 47.42 N +ATOM 1702 CA ILE A 214 23.486 4.432 16.852 1.00 47.24 C +ATOM 1703 C ILE A 214 23.522 5.226 15.559 1.00 48.02 C +ATOM 1704 O ILE A 214 22.766 4.904 14.644 1.00 48.41 O +ATOM 1705 CB ILE A 214 22.982 5.295 18.004 1.00 46.78 C +ATOM 1706 CG1 ILE A 214 22.393 4.372 19.069 1.00 45.85 C +ATOM 1707 CG2 ILE A 214 21.979 6.324 17.506 1.00 47.49 C +ATOM 1708 CD1 ILE A 214 21.787 5.096 20.218 1.00 45.49 C +ATOM 1709 N PRO A 215 24.361 6.269 15.454 1.00 48.63 N +ATOM 1710 CA PRO A 215 24.366 7.013 14.188 1.00 48.97 C +ATOM 1711 C PRO A 215 24.608 6.115 12.980 1.00 49.94 C +ATOM 1712 O PRO A 215 24.114 6.410 11.897 1.00 50.24 O +ATOM 1713 CB PRO A 215 25.479 8.031 14.391 1.00 48.54 C +ATOM 1714 CG PRO A 215 25.452 8.260 15.857 1.00 48.96 C +ATOM 1715 CD PRO A 215 25.292 6.873 16.418 1.00 48.81 C +ATOM 1716 N LEU A 216 25.365 5.034 13.171 1.00 51.10 N +ATOM 1717 CA LEU A 216 25.657 4.072 12.102 1.00 52.27 C +ATOM 1718 C LEU A 216 24.375 3.383 11.650 1.00 53.97 C +ATOM 1719 O LEU A 216 24.111 3.259 10.452 1.00 55.27 O +ATOM 1720 CB LEU A 216 26.641 2.992 12.584 1.00 51.00 C +ATOM 1721 CG LEU A 216 28.120 3.210 12.310 1.00 49.96 C +ATOM 1722 CD1 LEU A 216 28.291 3.808 10.949 1.00 50.68 C +ATOM 1723 CD2 LEU A 216 28.680 4.136 13.305 1.00 51.66 C +ATOM 1724 N ILE A 217 23.588 2.919 12.612 1.00 54.91 N +ATOM 1725 CA ILE A 217 22.334 2.239 12.332 1.00 54.99 C +ATOM 1726 C ILE A 217 21.417 3.107 11.472 1.00 54.92 C +ATOM 1727 O ILE A 217 20.907 2.632 10.453 1.00 55.20 O +ATOM 1728 CB ILE A 217 21.643 1.910 13.636 1.00 54.63 C +ATOM 1729 CG1 ILE A 217 22.513 0.945 14.431 1.00 53.84 C +ATOM 1730 CG2 ILE A 217 20.279 1.337 13.357 1.00 55.13 C +ATOM 1731 CD1 ILE A 217 22.163 0.908 15.880 1.00 54.54 C +ATOM 1732 N VAL A 218 21.202 4.352 11.902 1.00 54.52 N +ATOM 1733 CA VAL A 218 20.373 5.329 11.190 1.00 54.08 C +ATOM 1734 C VAL A 218 20.819 5.400 9.760 1.00 55.54 C +ATOM 1735 O VAL A 218 20.052 5.147 8.832 1.00 56.20 O +ATOM 1736 CB VAL A 218 20.552 6.742 11.776 1.00 52.79 C +ATOM 1737 CG1 VAL A 218 19.976 7.781 10.828 1.00 52.31 C +ATOM 1738 CG2 VAL A 218 19.912 6.820 13.136 1.00 51.67 C +ATOM 1739 N ILE A 219 22.081 5.761 9.601 1.00 56.77 N +ATOM 1740 CA ILE A 219 22.713 5.911 8.306 1.00 57.73 C +ATOM 1741 C ILE A 219 22.573 4.662 7.457 1.00 59.19 C +ATOM 1742 O ILE A 219 22.239 4.764 6.281 1.00 59.93 O +ATOM 1743 CB ILE A 219 24.188 6.249 8.495 1.00 56.72 C +ATOM 1744 CG1 ILE A 219 24.304 7.614 9.173 1.00 56.87 C +ATOM 1745 CG2 ILE A 219 24.888 6.237 7.174 1.00 56.13 C +ATOM 1746 CD1 ILE A 219 25.712 8.055 9.465 1.00 57.61 C +ATOM 1747 N PHE A 220 22.827 3.494 8.033 1.00 60.43 N +ATOM 1748 CA PHE A 220 22.726 2.251 7.288 1.00 61.76 C +ATOM 1749 C PHE A 220 21.321 1.915 6.957 1.00 63.08 C +ATOM 1750 O PHE A 220 21.013 1.600 5.807 1.00 63.43 O +ATOM 1751 CB PHE A 220 23.336 1.126 8.082 1.00 61.95 C +ATOM 1752 CG PHE A 220 24.786 1.071 7.942 1.00 62.41 C +ATOM 1753 CD1 PHE A 220 25.340 0.905 6.686 1.00 62.91 C +ATOM 1754 CD2 PHE A 220 25.609 1.262 9.029 1.00 62.69 C +ATOM 1755 CE1 PHE A 220 26.692 0.938 6.509 1.00 63.31 C +ATOM 1756 CE2 PHE A 220 26.970 1.299 8.867 1.00 63.24 C +ATOM 1757 CZ PHE A 220 27.516 1.136 7.603 1.00 63.70 C +ATOM 1758 N PHE A 221 20.459 1.945 7.958 1.00 64.43 N +ATOM 1759 CA PHE A 221 19.082 1.649 7.692 1.00 65.68 C +ATOM 1760 C PHE A 221 18.609 2.559 6.591 1.00 66.17 C +ATOM 1761 O PHE A 221 18.157 2.082 5.559 1.00 66.54 O +ATOM 1762 CB PHE A 221 18.241 1.866 8.926 1.00 66.38 C +ATOM 1763 CG PHE A 221 16.798 1.634 8.679 1.00 68.18 C +ATOM 1764 CD1 PHE A 221 15.909 2.706 8.614 1.00 68.99 C +ATOM 1765 CD2 PHE A 221 16.328 0.341 8.431 1.00 68.71 C +ATOM 1766 CE1 PHE A 221 14.565 2.499 8.301 1.00 68.91 C +ATOM 1767 CE2 PHE A 221 14.990 0.118 8.118 1.00 69.07 C +ATOM 1768 CZ PHE A 221 14.104 1.203 8.052 1.00 69.66 C +ATOM 1769 N CYS A 222 18.733 3.864 6.797 1.00 67.33 N +ATOM 1770 CA CYS A 222 18.316 4.839 5.802 1.00 68.83 C +ATOM 1771 C CYS A 222 18.779 4.437 4.409 1.00 70.09 C +ATOM 1772 O CYS A 222 18.085 4.699 3.442 1.00 70.62 O +ATOM 1773 CB CYS A 222 18.876 6.211 6.145 1.00 68.19 C +ATOM 1774 SG CYS A 222 18.607 7.402 4.833 1.00 69.11 S +ATOM 1775 N TYR A 223 19.944 3.811 4.304 1.00 71.59 N +ATOM 1776 CA TYR A 223 20.467 3.393 3.010 1.00 73.16 C +ATOM 1777 C TYR A 223 19.632 2.278 2.478 1.00 74.69 C +ATOM 1778 O TYR A 223 19.282 2.269 1.304 1.00 74.55 O +ATOM 1779 CB TYR A 223 21.897 2.913 3.162 1.00 73.08 C +ATOM 1780 CG TYR A 223 22.459 2.230 1.938 1.00 73.29 C +ATOM 1781 CD1 TYR A 223 22.733 2.943 0.778 1.00 73.36 C +ATOM 1782 CD2 TYR A 223 22.779 0.875 1.962 1.00 73.88 C +ATOM 1783 CE1 TYR A 223 23.330 2.319 -0.332 1.00 73.67 C +ATOM 1784 CE2 TYR A 223 23.375 0.244 0.860 1.00 73.46 C +ATOM 1785 CZ TYR A 223 23.652 0.970 -0.281 1.00 73.30 C +ATOM 1786 OH TYR A 223 24.284 0.358 -1.345 1.00 73.22 O +ATOM 1787 N GLY A 224 19.328 1.322 3.344 1.00 76.62 N +ATOM 1788 CA GLY A 224 18.512 0.200 2.939 1.00 79.43 C +ATOM 1789 C GLY A 224 17.194 0.687 2.378 1.00 81.28 C +ATOM 1790 O GLY A 224 16.397 -0.112 1.913 1.00 81.14 O +ATOM 1791 N GLN A 225 16.965 2.000 2.441 1.00 83.58 N +ATOM 1792 CA GLN A 225 15.742 2.622 1.918 1.00 86.00 C +ATOM 1793 C GLN A 225 16.018 3.072 0.515 1.00 87.80 C +ATOM 1794 O GLN A 225 15.278 2.743 -0.412 1.00 87.84 O +ATOM 1795 CB GLN A 225 15.341 3.838 2.764 1.00 85.44 C +ATOM 1796 CG GLN A 225 15.199 3.504 4.219 1.00 84.97 C +ATOM 1797 CD GLN A 225 14.365 2.257 4.417 1.00 85.26 C +ATOM 1798 OE1 GLN A 225 13.145 2.325 4.513 1.00 85.57 O +ATOM 1799 NE2 GLN A 225 15.026 1.099 4.453 1.00 85.24 N +ATOM 1800 N LEU A 226 17.090 3.838 0.370 1.00 90.01 N +ATOM 1801 CA LEU A 226 17.502 4.320 -0.927 1.00 92.42 C +ATOM 1802 C LEU A 226 18.210 3.184 -1.638 1.00 94.29 C +ATOM 1803 O LEU A 226 19.252 3.358 -2.269 1.00 94.45 O +ATOM 1804 CB LEU A 226 18.406 5.547 -0.770 1.00 92.22 C +ATOM 1805 CG LEU A 226 17.656 6.856 -0.476 1.00 92.21 C +ATOM 1806 CD1 LEU A 226 16.820 6.726 0.789 1.00 91.94 C +ATOM 1807 CD2 LEU A 226 18.656 7.990 -0.354 1.00 92.02 C +ATOM 1808 N VAL A 227 17.633 1.999 -1.491 1.00 96.23 N +ATOM 1809 CA VAL A 227 18.137 0.800 -2.138 1.00 98.36 C +ATOM 1810 C VAL A 227 17.169 0.493 -3.276 1.00 99.65 C +ATOM 1811 O VAL A 227 17.599 0.392 -4.434 1.00 99.96 O +ATOM 1812 CB VAL A 227 18.217 -0.412 -1.138 1.00 98.41 C +ATOM 1813 CG1 VAL A 227 16.816 -0.865 -0.708 1.00 98.24 C +ATOM 1814 CG2 VAL A 227 18.975 -1.568 -1.781 1.00 98.33 C +ATOM 1815 N PHE A 228 15.874 0.384 -2.947 1.00101.03 N +ATOM 1816 CA PHE A 228 14.825 0.113 -3.937 1.00102.04 C +ATOM 1817 C PHE A 228 14.583 1.378 -4.744 1.00102.50 C +ATOM 1818 O PHE A 228 14.289 1.309 -5.943 1.00102.70 O +ATOM 1819 CB PHE A 228 13.515 -0.332 -3.257 1.00101.81 C +ATOM 1820 CG PHE A 228 12.424 -0.726 -4.236 1.00101.87 C +ATOM 1821 CD1 PHE A 228 12.637 -1.745 -5.169 1.00101.78 C +ATOM 1822 CD2 PHE A 228 11.188 -0.078 -4.227 1.00101.77 C +ATOM 1823 CE1 PHE A 228 11.636 -2.114 -6.080 1.00101.77 C +ATOM 1824 CE2 PHE A 228 10.181 -0.438 -5.133 1.00101.55 C +ATOM 1825 CZ PHE A 228 10.407 -1.459 -6.060 1.00101.68 C +ATOM 1826 N THR A 229 14.704 2.528 -4.088 1.00102.91 N +ATOM 1827 CA THR A 229 14.520 3.802 -4.769 1.00103.32 C +ATOM 1828 C THR A 229 15.838 4.142 -5.498 1.00103.84 C +ATOM 1829 O THR A 229 16.423 3.238 -6.118 1.00103.79 O +ATOM 1830 CB THR A 229 14.116 4.927 -3.757 1.00102.96 C +ATOM 1831 OG1 THR A 229 13.153 4.416 -2.819 1.00102.53 O +ATOM 1832 CG2 THR A 229 13.482 6.103 -4.500 1.00102.53 C +ATOM 1833 N VAL A 230 16.305 5.395 -5.422 1.00104.19 N +ATOM 1834 CA VAL A 230 17.543 5.824 -6.102 1.00104.42 C +ATOM 1835 C VAL A 230 18.678 4.810 -5.868 1.00104.57 C +ATOM 1836 O VAL A 230 18.959 4.437 -4.723 1.00104.45 O +ATOM 1837 CB VAL A 230 17.976 7.273 -5.636 1.00104.11 C +ATOM 1838 CG1 VAL A 230 18.647 7.223 -4.275 1.00103.95 C +ATOM 1839 CG2 VAL A 230 18.891 7.919 -6.667 1.00103.64 C +ATOM 1840 N LYS A 231 19.304 4.354 -6.954 1.00104.94 N +ATOM 1841 CA LYS A 231 20.392 3.378 -6.865 1.00105.28 C +ATOM 1842 C LYS A 231 21.684 3.954 -7.409 1.00105.74 C +ATOM 1843 O LYS A 231 21.674 4.990 -8.075 1.00105.55 O +ATOM 1844 CB LYS A 231 20.054 2.103 -7.644 1.00104.54 C +ATOM 1845 CG LYS A 231 18.844 1.346 -7.136 1.00103.78 C +ATOM 1846 CD LYS A 231 18.660 0.029 -7.886 1.00103.66 C +ATOM 1847 CE LYS A 231 18.519 0.227 -9.399 1.00102.84 C +ATOM 1848 NZ LYS A 231 19.793 0.623 -10.064 1.00102.19 N +ATOM 1849 N GLU A 232 22.788 3.264 -7.122 1.00106.32 N +ATOM 1850 CA GLU A 232 24.122 3.667 -7.567 1.00106.79 C +ATOM 1851 C GLU A 232 24.144 3.698 -9.076 1.00107.24 C +ATOM 1852 O GLU A 232 24.943 4.438 -9.672 1.00107.18 O +ATOM 1853 CB GLU A 232 25.165 2.675 -7.051 1.00105.96 C +ATOM 1854 CG GLU A 232 25.017 2.370 -5.578 1.00104.85 C +ATOM 1855 CD GLU A 232 26.004 1.335 -5.103 1.00104.32 C +ATOM 1856 OE1 GLU A 232 26.041 0.228 -5.688 1.00103.46 O +ATOM 1857 OE2 GLU A 232 26.738 1.632 -4.141 1.00103.45 O +ATOM 1858 N ALA A 233 23.281 2.886 -9.688 1.00107.79 N +ATOM 1859 CA ALA A 233 23.167 2.836 -11.140 1.00107.95 C +ATOM 1860 C ALA A 233 22.716 4.213 -11.601 1.00108.13 C +ATOM 1861 O ALA A 233 21.512 4.505 -11.600 1.00108.09 O +ATOM 1862 CB ALA A 233 22.146 1.762 -11.559 1.00107.71 C +ATOM 1863 N ALA A 234 23.683 5.057 -11.964 1.00108.00 N +ATOM 1864 CA ALA A 234 23.414 6.424 -12.417 1.00108.02 C +ATOM 1865 C ALA A 234 23.704 6.536 -13.907 1.00108.10 C +ATOM 1866 O ALA A 234 24.844 6.275 -14.324 1.00108.15 O +ATOM 1867 CB ALA A 234 24.283 7.416 -11.629 1.00108.19 C +ATOM 1868 N ALA A 235 22.690 6.925 -14.691 1.00107.89 N +ATOM 1869 CA ALA A 235 22.820 7.067 -16.150 1.00107.65 C +ATOM 1870 C ALA A 235 23.172 8.503 -16.548 1.00107.72 C +ATOM 1871 O ALA A 235 23.796 9.232 -15.763 1.00107.41 O +ATOM 1872 CB ALA A 235 21.518 6.613 -16.865 1.00107.16 C +ATOM 1873 N GLN A 236 22.746 8.899 -17.748 1.00107.63 N +ATOM 1874 CA GLN A 236 23.044 10.219 -18.330 1.00107.40 C +ATOM 1875 C GLN A 236 21.950 11.300 -18.100 1.00107.35 C +ATOM 1876 O GLN A 236 21.074 11.139 -17.240 1.00107.39 O +ATOM 1877 CB GLN A 236 23.315 10.018 -19.833 1.00106.95 C +ATOM 1878 CG GLN A 236 22.308 9.070 -20.511 1.00106.50 C +ATOM 1879 CD GLN A 236 22.922 8.229 -21.625 1.00106.28 C +ATOM 1880 OE1 GLN A 236 23.418 8.760 -22.619 1.00105.81 O +ATOM 1881 NE2 GLN A 236 22.885 6.908 -21.458 1.00105.62 N +ATOM 1882 N GLN A 237 22.033 12.392 -18.872 1.00107.12 N +ATOM 1883 CA GLN A 237 21.107 13.538 -18.799 1.00106.24 C +ATOM 1884 C GLN A 237 19.673 13.062 -18.704 1.00105.99 C +ATOM 1885 O GLN A 237 19.188 12.335 -19.586 1.00105.88 O +ATOM 1886 CB GLN A 237 21.268 14.453 -20.030 1.00105.27 C +ATOM 1887 CG GLN A 237 22.711 14.624 -20.507 1.00103.67 C +ATOM 1888 CD GLN A 237 23.219 13.405 -21.278 1.00102.98 C +ATOM 1889 OE1 GLN A 237 24.423 13.152 -21.341 1.00102.27 O +ATOM 1890 NE2 GLN A 237 22.294 12.652 -21.878 1.00102.57 N +ATOM 1891 N GLN A 238 18.996 13.499 -17.647 1.00105.45 N +ATOM 1892 CA GLN A 238 17.625 13.095 -17.384 1.00105.04 C +ATOM 1893 C GLN A 238 17.631 11.635 -17.008 1.00104.92 C +ATOM 1894 O GLN A 238 18.169 10.798 -17.749 1.00105.01 O +ATOM 1895 CB GLN A 238 16.723 13.272 -18.610 1.00104.39 C +ATOM 1896 CG GLN A 238 15.318 12.696 -18.393 1.00103.69 C +ATOM 1897 CD GLN A 238 14.597 12.340 -19.683 1.00103.52 C +ATOM 1898 OE1 GLN A 238 14.406 13.185 -20.553 1.00102.94 O +ATOM 1899 NE2 GLN A 238 14.186 11.077 -19.804 1.00102.64 N +ATOM 1900 N GLU A 239 17.045 11.328 -15.859 1.00104.09 N +ATOM 1901 CA GLU A 239 16.951 9.956 -15.383 1.00103.28 C +ATOM 1902 C GLU A 239 15.468 9.658 -15.287 1.00102.82 C +ATOM 1903 O GLU A 239 15.045 8.506 -15.148 1.00102.97 O +ATOM 1904 CB GLU A 239 17.608 9.856 -14.014 1.00102.55 C +ATOM 1905 CG GLU A 239 18.041 8.467 -13.621 1.00102.01 C +ATOM 1906 CD GLU A 239 19.420 8.142 -14.141 1.00101.58 C +ATOM 1907 OE1 GLU A 239 19.642 8.305 -15.362 1.00101.34 O +ATOM 1908 OE2 GLU A 239 20.278 7.729 -13.329 1.00100.76 O +ATOM 1909 N SER A 240 14.710 10.750 -15.388 1.00102.33 N +ATOM 1910 CA SER A 240 13.243 10.859 -15.343 1.00101.48 C +ATOM 1911 C SER A 240 13.026 12.351 -15.193 1.00100.55 C +ATOM 1912 O SER A 240 11.962 12.834 -14.810 1.00100.13 O +ATOM 1913 CB SER A 240 12.644 10.112 -14.133 1.00101.44 C +ATOM 1914 OG SER A 240 12.506 8.710 -14.367 1.00101.18 O +ATOM 1915 N ALA A 241 14.107 13.051 -15.512 1.00 99.53 N +ATOM 1916 CA ALA A 241 14.248 14.490 -15.447 1.00 98.48 C +ATOM 1917 C ALA A 241 15.715 14.702 -15.127 1.00 97.83 C +ATOM 1918 O ALA A 241 16.228 14.011 -14.246 1.00 97.66 O +ATOM 1919 CB ALA A 241 13.368 15.069 -14.327 1.00 97.66 C +ATOM 1920 N THR A 242 16.409 15.587 -15.839 1.00 97.16 N +ATOM 1921 CA THR A 242 17.814 15.827 -15.518 1.00 96.28 C +ATOM 1922 C THR A 242 17.878 16.199 -14.050 1.00 95.48 C +ATOM 1923 O THR A 242 18.935 16.136 -13.434 1.00 95.50 O +ATOM 1924 CB THR A 242 18.420 16.959 -16.383 1.00 96.42 C +ATOM 1925 OG1 THR A 242 18.558 16.498 -17.733 1.00 96.48 O +ATOM 1926 CG2 THR A 242 19.796 17.375 -15.857 1.00 96.13 C +ATOM 1927 N THR A 243 16.727 16.590 -13.510 1.00 94.70 N +ATOM 1928 CA THR A 243 16.588 16.931 -12.100 1.00 93.76 C +ATOM 1929 C THR A 243 16.856 15.666 -11.342 1.00 93.00 C +ATOM 1930 O THR A 243 17.847 15.567 -10.627 1.00 93.59 O +ATOM 1931 CB THR A 243 15.146 17.396 -11.774 1.00 93.72 C +ATOM 1932 OG1 THR A 243 14.954 18.728 -12.260 1.00 93.96 O +ATOM 1933 CG2 THR A 243 14.882 17.354 -10.272 1.00 93.83 C +ATOM 1934 N GLN A 244 15.963 14.698 -11.521 1.00 91.68 N +ATOM 1935 CA GLN A 244 16.076 13.396 -10.883 1.00 89.72 C +ATOM 1936 C GLN A 244 17.473 12.833 -11.134 1.00 88.17 C +ATOM 1937 O GLN A 244 18.087 12.270 -10.228 1.00 87.80 O +ATOM 1938 CB GLN A 244 14.993 12.474 -11.450 1.00 89.98 C +ATOM 1939 CG GLN A 244 15.002 11.063 -10.906 1.00 90.48 C +ATOM 1940 CD GLN A 244 16.045 10.177 -11.571 1.00 91.00 C +ATOM 1941 OE1 GLN A 244 17.241 10.445 -11.507 1.00 91.56 O +ATOM 1942 NE2 GLN A 244 15.586 9.110 -12.215 1.00 91.09 N +ATOM 1943 N LYS A 245 17.968 12.981 -12.357 1.00 86.46 N +ATOM 1944 CA LYS A 245 19.294 12.496 -12.714 1.00 84.66 C +ATOM 1945 C LYS A 245 20.333 12.971 -11.715 1.00 83.05 C +ATOM 1946 O LYS A 245 20.908 12.167 -11.005 1.00 82.92 O +ATOM 1947 CB LYS A 245 19.665 12.985 -14.113 1.00 84.86 C +ATOM 1948 CG LYS A 245 21.148 12.952 -14.430 1.00 85.39 C +ATOM 1949 CD LYS A 245 21.696 11.536 -14.591 1.00 86.89 C +ATOM 1950 CE LYS A 245 22.051 10.854 -13.273 1.00 87.58 C +ATOM 1951 NZ LYS A 245 20.868 10.310 -12.547 1.00 88.64 N +ATOM 1952 N ALA A 246 20.566 14.274 -11.663 1.00 81.49 N +ATOM 1953 CA ALA A 246 21.553 14.857 -10.764 1.00 79.91 C +ATOM 1954 C ALA A 246 21.252 14.574 -9.299 1.00 78.99 C +ATOM 1955 O ALA A 246 22.036 14.957 -8.433 1.00 78.72 O +ATOM 1956 CB ALA A 246 21.619 16.340 -10.993 1.00 80.45 C +ATOM 1957 N GLU A 247 20.133 13.921 -9.013 1.00 77.69 N +ATOM 1958 CA GLU A 247 19.770 13.603 -7.634 1.00 76.37 C +ATOM 1959 C GLU A 247 20.489 12.357 -7.241 1.00 75.03 C +ATOM 1960 O GLU A 247 20.845 12.136 -6.082 1.00 73.76 O +ATOM 1961 CB GLU A 247 18.269 13.361 -7.526 1.00 77.42 C +ATOM 1962 CG GLU A 247 17.768 13.590 -6.144 1.00 79.57 C +ATOM 1963 CD GLU A 247 18.501 14.749 -5.515 1.00 81.18 C +ATOM 1964 OE1 GLU A 247 19.624 14.529 -5.002 1.00 81.73 O +ATOM 1965 OE2 GLU A 247 17.975 15.884 -5.560 1.00 82.54 O +ATOM 1966 N LYS A 248 20.673 11.531 -8.254 1.00 74.02 N +ATOM 1967 CA LYS A 248 21.349 10.265 -8.142 1.00 72.94 C +ATOM 1968 C LYS A 248 22.811 10.537 -7.836 1.00 71.30 C +ATOM 1969 O LYS A 248 23.459 9.717 -7.189 1.00 71.65 O +ATOM 1970 CB LYS A 248 21.197 9.528 -9.477 1.00 74.17 C +ATOM 1971 CG LYS A 248 21.346 8.018 -9.426 1.00 76.20 C +ATOM 1972 CD LYS A 248 20.378 7.363 -10.420 1.00 77.28 C +ATOM 1973 CE LYS A 248 18.921 7.787 -10.134 1.00 78.17 C +ATOM 1974 NZ LYS A 248 17.912 7.168 -11.051 1.00 77.56 N +ATOM 1975 N GLU A 249 23.322 11.689 -8.277 1.00 68.75 N +ATOM 1976 CA GLU A 249 24.726 12.027 -8.064 1.00 65.79 C +ATOM 1977 C GLU A 249 25.015 12.366 -6.624 1.00 63.19 C +ATOM 1978 O GLU A 249 25.952 11.825 -6.045 1.00 62.82 O +ATOM 1979 CB GLU A 249 25.152 13.200 -8.945 1.00 66.61 C +ATOM 1980 CG GLU A 249 26.585 13.654 -8.644 1.00 68.69 C +ATOM 1981 CD GLU A 249 26.919 15.029 -9.221 1.00 70.22 C +ATOM 1982 OE1 GLU A 249 26.012 15.899 -9.232 1.00 71.11 O +ATOM 1983 OE2 GLU A 249 28.085 15.246 -9.646 1.00 70.27 O +ATOM 1984 N VAL A 250 24.241 13.266 -6.042 1.00 60.14 N +ATOM 1985 CA VAL A 250 24.485 13.631 -4.664 1.00 57.74 C +ATOM 1986 C VAL A 250 24.453 12.405 -3.781 1.00 56.96 C +ATOM 1987 O VAL A 250 25.286 12.280 -2.891 1.00 57.08 O +ATOM 1988 CB VAL A 250 23.448 14.631 -4.162 1.00 57.20 C +ATOM 1989 CG1 VAL A 250 23.550 14.763 -2.658 1.00 57.09 C +ATOM 1990 CG2 VAL A 250 23.673 15.977 -4.810 1.00 56.90 C +ATOM 1991 N THR A 251 23.500 11.506 -4.021 1.00 56.12 N +ATOM 1992 CA THR A 251 23.377 10.288 -3.221 1.00 55.17 C +ATOM 1993 C THR A 251 24.639 9.411 -3.402 1.00 54.93 C +ATOM 1994 O THR A 251 25.140 8.882 -2.409 1.00 55.01 O +ATOM 1995 CB THR A 251 22.069 9.485 -3.599 1.00 55.19 C +ATOM 1996 OG1 THR A 251 20.951 10.382 -3.683 1.00 55.33 O +ATOM 1997 CG2 THR A 251 21.747 8.434 -2.537 1.00 54.84 C +ATOM 1998 N ARG A 252 25.155 9.282 -4.632 1.00 54.18 N +ATOM 1999 CA ARG A 252 26.351 8.470 -4.901 1.00 53.41 C +ATOM 2000 C ARG A 252 27.477 8.991 -4.057 1.00 51.56 C +ATOM 2001 O ARG A 252 28.271 8.228 -3.538 1.00 51.81 O +ATOM 2002 CB ARG A 252 26.774 8.573 -6.372 1.00 56.08 C +ATOM 2003 CG ARG A 252 27.077 7.244 -7.130 1.00 61.27 C +ATOM 2004 CD ARG A 252 27.960 6.228 -6.350 1.00 65.21 C +ATOM 2005 NE ARG A 252 28.824 5.410 -7.225 1.00 68.49 N +ATOM 2006 CZ ARG A 252 29.215 4.159 -6.959 1.00 69.23 C +ATOM 2007 NH1 ARG A 252 28.804 3.566 -5.841 1.00 69.28 N +ATOM 2008 NH2 ARG A 252 30.040 3.513 -7.790 1.00 67.51 N +ATOM 2009 N MET A 253 27.546 10.303 -3.918 1.00 48.94 N +ATOM 2010 CA MET A 253 28.601 10.916 -3.136 1.00 47.00 C +ATOM 2011 C MET A 253 28.377 10.739 -1.645 1.00 45.85 C +ATOM 2012 O MET A 253 29.317 10.385 -0.927 1.00 45.97 O +ATOM 2013 CB MET A 253 28.690 12.395 -3.457 1.00 46.87 C +ATOM 2014 CG MET A 253 29.587 13.135 -2.518 1.00 46.66 C +ATOM 2015 SD MET A 253 29.852 14.776 -3.131 1.00 48.27 S +ATOM 2016 CE MET A 253 29.009 15.766 -1.952 1.00 46.98 C +ATOM 2017 N VAL A 254 27.160 11.004 -1.175 1.00 44.24 N +ATOM 2018 CA VAL A 254 26.858 10.859 0.240 1.00 42.60 C +ATOM 2019 C VAL A 254 27.175 9.449 0.655 1.00 43.02 C +ATOM 2020 O VAL A 254 27.499 9.203 1.815 1.00 43.97 O +ATOM 2021 CB VAL A 254 25.382 11.180 0.535 1.00 40.89 C +ATOM 2022 CG1 VAL A 254 25.018 10.767 1.930 1.00 40.43 C +ATOM 2023 CG2 VAL A 254 25.162 12.662 0.410 1.00 40.42 C +ATOM 2024 N ILE A 255 27.109 8.524 -0.294 1.00 43.25 N +ATOM 2025 CA ILE A 255 27.405 7.130 -0.006 1.00 44.14 C +ATOM 2026 C ILE A 255 28.926 6.932 0.025 1.00 44.77 C +ATOM 2027 O ILE A 255 29.426 6.217 0.888 1.00 45.81 O +ATOM 2028 CB ILE A 255 26.727 6.193 -1.058 1.00 45.21 C +ATOM 2029 CG1 ILE A 255 25.199 6.362 -1.004 1.00 45.84 C +ATOM 2030 CG2 ILE A 255 27.072 4.731 -0.785 1.00 44.71 C +ATOM 2031 CD1 ILE A 255 24.448 5.578 -2.093 1.00 46.69 C +ATOM 2032 N ILE A 256 29.661 7.565 -0.888 1.00 44.43 N +ATOM 2033 CA ILE A 256 31.115 7.444 -0.880 1.00 43.60 C +ATOM 2034 C ILE A 256 31.652 8.047 0.398 1.00 42.79 C +ATOM 2035 O ILE A 256 32.559 7.495 0.996 1.00 42.65 O +ATOM 2036 CB ILE A 256 31.740 8.179 -2.066 1.00 43.75 C +ATOM 2037 CG1 ILE A 256 31.471 7.388 -3.335 1.00 42.66 C +ATOM 2038 CG2 ILE A 256 33.246 8.358 -1.844 1.00 44.53 C +ATOM 2039 CD1 ILE A 256 32.159 6.070 -3.337 1.00 41.65 C +ATOM 2040 N MET A 257 31.075 9.174 0.804 1.00 42.42 N +ATOM 2041 CA MET A 257 31.468 9.884 2.018 1.00 42.19 C +ATOM 2042 C MET A 257 31.347 8.999 3.227 1.00 42.81 C +ATOM 2043 O MET A 257 32.082 9.187 4.207 1.00 43.63 O +ATOM 2044 CB MET A 257 30.577 11.102 2.235 1.00 41.19 C +ATOM 2045 CG MET A 257 30.908 12.306 1.401 1.00 39.27 C +ATOM 2046 SD MET A 257 29.728 13.579 1.841 1.00 39.18 S +ATOM 2047 CE MET A 257 30.372 14.233 3.378 1.00 37.64 C +ATOM 2048 N VAL A 258 30.409 8.061 3.179 1.00 43.16 N +ATOM 2049 CA VAL A 258 30.193 7.135 4.286 1.00 43.38 C +ATOM 2050 C VAL A 258 31.281 6.062 4.293 1.00 43.98 C +ATOM 2051 O VAL A 258 31.797 5.710 5.354 1.00 44.33 O +ATOM 2052 CB VAL A 258 28.814 6.467 4.174 1.00 43.33 C +ATOM 2053 CG1 VAL A 258 28.648 5.449 5.281 1.00 43.91 C +ATOM 2054 CG2 VAL A 258 27.718 7.529 4.235 1.00 42.59 C +ATOM 2055 N ILE A 259 31.630 5.546 3.119 1.00 44.13 N +ATOM 2056 CA ILE A 259 32.672 4.529 3.016 1.00 45.06 C +ATOM 2057 C ILE A 259 33.989 5.115 3.486 1.00 45.69 C +ATOM 2058 O ILE A 259 34.750 4.442 4.181 1.00 46.83 O +ATOM 2059 CB ILE A 259 32.835 4.056 1.541 1.00 45.80 C +ATOM 2060 CG1 ILE A 259 31.572 3.331 1.086 1.00 46.47 C +ATOM 2061 CG2 ILE A 259 34.010 3.123 1.399 1.00 44.22 C +ATOM 2062 CD1 ILE A 259 31.193 2.204 2.003 1.00 46.71 C +ATOM 2063 N ALA A 260 34.255 6.365 3.108 1.00 45.07 N +ATOM 2064 CA ALA A 260 35.497 7.036 3.476 1.00 44.89 C +ATOM 2065 C ALA A 260 35.573 7.196 4.972 1.00 44.97 C +ATOM 2066 O ALA A 260 36.650 7.069 5.539 1.00 45.90 O +ATOM 2067 CB ALA A 260 35.600 8.407 2.781 1.00 43.92 C +ATOM 2068 N PHE A 261 34.443 7.463 5.615 1.00 44.53 N +ATOM 2069 CA PHE A 261 34.422 7.635 7.063 1.00 44.07 C +ATOM 2070 C PHE A 261 34.803 6.338 7.774 1.00 43.80 C +ATOM 2071 O PHE A 261 35.666 6.346 8.654 1.00 44.56 O +ATOM 2072 CB PHE A 261 33.028 8.069 7.530 1.00 44.15 C +ATOM 2073 CG PHE A 261 32.941 8.332 9.012 1.00 44.17 C +ATOM 2074 CD1 PHE A 261 33.192 9.604 9.520 1.00 44.40 C +ATOM 2075 CD2 PHE A 261 32.651 7.297 9.905 1.00 44.48 C +ATOM 2076 CE1 PHE A 261 33.157 9.840 10.898 1.00 44.74 C +ATOM 2077 CE2 PHE A 261 32.615 7.518 11.284 1.00 44.33 C +ATOM 2078 CZ PHE A 261 32.867 8.786 11.784 1.00 45.11 C +ATOM 2079 N LEU A 262 34.158 5.240 7.401 1.00 43.01 N +ATOM 2080 CA LEU A 262 34.404 3.942 8.027 1.00 42.82 C +ATOM 2081 C LEU A 262 35.836 3.495 7.867 1.00 42.93 C +ATOM 2082 O LEU A 262 36.436 3.010 8.836 1.00 43.71 O +ATOM 2083 CB LEU A 262 33.462 2.923 7.424 1.00 43.19 C +ATOM 2084 CG LEU A 262 32.027 3.393 7.628 1.00 42.97 C +ATOM 2085 CD1 LEU A 262 31.158 2.787 6.571 1.00 43.65 C +ATOM 2086 CD2 LEU A 262 31.553 3.040 9.022 1.00 42.36 C +ATOM 2087 N ILE A 263 36.375 3.633 6.656 1.00 42.66 N +ATOM 2088 CA ILE A 263 37.760 3.269 6.375 1.00 41.22 C +ATOM 2089 C ILE A 263 38.659 4.009 7.361 1.00 41.96 C +ATOM 2090 O ILE A 263 39.573 3.448 7.963 1.00 42.34 O +ATOM 2091 CB ILE A 263 38.136 3.701 4.956 1.00 39.00 C +ATOM 2092 CG1 ILE A 263 37.361 2.877 3.952 1.00 37.98 C +ATOM 2093 CG2 ILE A 263 39.611 3.555 4.734 1.00 37.48 C +ATOM 2094 CD1 ILE A 263 37.689 3.236 2.544 1.00 38.11 C +ATOM 2095 N CYS A 264 38.345 5.279 7.535 1.00 42.37 N +ATOM 2096 CA CYS A 264 39.088 6.173 8.382 1.00 42.51 C +ATOM 2097 C CYS A 264 38.882 5.909 9.844 1.00 42.47 C +ATOM 2098 O CYS A 264 39.824 6.081 10.595 1.00 43.11 O +ATOM 2099 CB CYS A 264 38.651 7.590 8.067 1.00 43.80 C +ATOM 2100 SG CYS A 264 39.838 8.849 8.435 1.00 48.58 S +ATOM 2101 N TRP A 265 37.697 5.480 10.272 1.00 41.32 N +ATOM 2102 CA TRP A 265 37.491 5.322 11.714 1.00 39.88 C +ATOM 2103 C TRP A 265 37.334 3.916 12.252 1.00 39.83 C +ATOM 2104 O TRP A 265 37.499 3.734 13.472 1.00 40.40 O +ATOM 2105 CB TRP A 265 36.302 6.178 12.158 1.00 39.25 C +ATOM 2106 CG TRP A 265 36.600 7.618 12.005 1.00 39.65 C +ATOM 2107 CD1 TRP A 265 36.220 8.441 10.980 1.00 39.45 C +ATOM 2108 CD2 TRP A 265 37.411 8.406 12.875 1.00 39.47 C +ATOM 2109 NE1 TRP A 265 36.745 9.701 11.159 1.00 38.24 N +ATOM 2110 CE2 TRP A 265 37.480 9.709 12.314 1.00 39.12 C +ATOM 2111 CE3 TRP A 265 38.093 8.142 14.074 1.00 37.66 C +ATOM 2112 CZ2 TRP A 265 38.201 10.743 12.920 1.00 38.36 C +ATOM 2113 CZ3 TRP A 265 38.805 9.159 14.664 1.00 38.25 C +ATOM 2114 CH2 TRP A 265 38.855 10.449 14.089 1.00 38.43 C +ATOM 2115 N LEU A 266 37.030 2.935 11.413 1.00 39.42 N +ATOM 2116 CA LEU A 266 36.858 1.588 11.929 1.00 39.21 C +ATOM 2117 C LEU A 266 38.126 1.071 12.571 1.00 39.24 C +ATOM 2118 O LEU A 266 38.090 0.541 13.670 1.00 38.45 O +ATOM 2119 CB LEU A 266 36.379 0.655 10.820 1.00 39.10 C +ATOM 2120 CG LEU A 266 34.875 0.324 10.837 1.00 38.25 C +ATOM 2121 CD1 LEU A 266 34.118 1.234 11.783 1.00 39.64 C +ATOM 2122 CD2 LEU A 266 34.332 0.443 9.443 1.00 37.96 C +ATOM 2123 N PRO A 267 39.272 1.228 11.912 1.00 39.49 N +ATOM 2124 CA PRO A 267 40.477 0.716 12.563 1.00 40.11 C +ATOM 2125 C PRO A 267 40.749 1.331 13.940 1.00 41.36 C +ATOM 2126 O PRO A 267 41.090 0.617 14.901 1.00 42.76 O +ATOM 2127 CB PRO A 267 41.570 0.993 11.530 1.00 39.26 C +ATOM 2128 CG PRO A 267 40.977 2.066 10.639 1.00 40.20 C +ATOM 2129 CD PRO A 267 39.549 1.698 10.546 1.00 39.36 C +ATOM 2130 N TYR A 268 40.593 2.642 14.050 1.00 42.00 N +ATOM 2131 CA TYR A 268 40.812 3.318 15.320 1.00 41.67 C +ATOM 2132 C TYR A 268 39.838 2.784 16.331 1.00 42.42 C +ATOM 2133 O TYR A 268 40.241 2.234 17.354 1.00 43.35 O +ATOM 2134 CB TYR A 268 40.571 4.818 15.178 1.00 40.92 C +ATOM 2135 CG TYR A 268 40.671 5.531 16.501 1.00 39.54 C +ATOM 2136 CD1 TYR A 268 41.894 5.629 17.154 1.00 38.40 C +ATOM 2137 CD2 TYR A 268 39.533 6.045 17.137 1.00 38.80 C +ATOM 2138 CE1 TYR A 268 41.990 6.206 18.388 1.00 37.50 C +ATOM 2139 CE2 TYR A 268 39.622 6.621 18.376 1.00 37.29 C +ATOM 2140 CZ TYR A 268 40.858 6.698 18.994 1.00 38.68 C +ATOM 2141 OH TYR A 268 40.988 7.267 20.233 1.00 40.78 O +ATOM 2142 N ALA A 269 38.554 2.972 16.040 1.00 42.70 N +ATOM 2143 CA ALA A 269 37.483 2.528 16.911 1.00 42.74 C +ATOM 2144 C ALA A 269 37.695 1.078 17.281 1.00 42.80 C +ATOM 2145 O ALA A 269 37.456 0.697 18.424 1.00 42.60 O +ATOM 2146 CB ALA A 269 36.140 2.712 16.214 1.00 41.88 C +ATOM 2147 N GLY A 270 38.147 0.274 16.327 1.00 43.14 N +ATOM 2148 CA GLY A 270 38.382 -1.136 16.605 1.00 43.35 C +ATOM 2149 C GLY A 270 39.465 -1.386 17.648 1.00 43.39 C +ATOM 2150 O GLY A 270 39.268 -2.126 18.610 1.00 44.19 O +ATOM 2151 N VAL A 271 40.623 -0.760 17.453 1.00 42.36 N +ATOM 2152 CA VAL A 271 41.699 -0.911 18.404 1.00 40.60 C +ATOM 2153 C VAL A 271 41.219 -0.377 19.725 1.00 41.41 C +ATOM 2154 O VAL A 271 41.452 -1.011 20.730 1.00 42.69 O +ATOM 2155 CB VAL A 271 42.942 -0.139 17.974 1.00 39.21 C +ATOM 2156 CG1 VAL A 271 43.997 -0.177 19.079 1.00 38.17 C +ATOM 2157 CG2 VAL A 271 43.483 -0.744 16.705 1.00 38.95 C +ATOM 2158 N ALA A 272 40.524 0.760 19.710 1.00 41.11 N +ATOM 2159 CA ALA A 272 40.018 1.405 20.924 1.00 40.53 C +ATOM 2160 C ALA A 272 39.068 0.497 21.697 1.00 40.69 C +ATOM 2161 O ALA A 272 39.143 0.418 22.933 1.00 40.45 O +ATOM 2162 CB ALA A 272 39.322 2.699 20.564 1.00 38.67 C +ATOM 2163 N PHE A 273 38.176 -0.189 21.000 1.00 40.87 N +ATOM 2164 CA PHE A 273 37.256 -1.052 21.710 1.00 42.13 C +ATOM 2165 C PHE A 273 38.005 -2.212 22.323 1.00 42.38 C +ATOM 2166 O PHE A 273 37.740 -2.602 23.468 1.00 42.82 O +ATOM 2167 CB PHE A 273 36.190 -1.596 20.778 1.00 43.26 C +ATOM 2168 CG PHE A 273 35.111 -2.324 21.500 1.00 44.26 C +ATOM 2169 CD1 PHE A 273 34.190 -1.621 22.280 1.00 44.29 C +ATOM 2170 CD2 PHE A 273 35.062 -3.712 21.478 1.00 44.41 C +ATOM 2171 CE1 PHE A 273 33.236 -2.288 23.034 1.00 44.36 C +ATOM 2172 CE2 PHE A 273 34.116 -4.394 22.224 1.00 44.22 C +ATOM 2173 CZ PHE A 273 33.199 -3.680 23.009 1.00 44.78 C +ATOM 2174 N TYR A 274 38.932 -2.769 21.553 1.00 42.58 N +ATOM 2175 CA TYR A 274 39.743 -3.895 22.002 1.00 42.30 C +ATOM 2176 C TYR A 274 40.352 -3.572 23.340 1.00 42.26 C +ATOM 2177 O TYR A 274 40.076 -4.232 24.333 1.00 43.54 O +ATOM 2178 CB TYR A 274 40.861 -4.156 21.005 1.00 42.30 C +ATOM 2179 CG TYR A 274 41.764 -5.270 21.434 1.00 44.18 C +ATOM 2180 CD1 TYR A 274 41.470 -6.583 21.111 1.00 45.76 C +ATOM 2181 CD2 TYR A 274 42.898 -5.018 22.195 1.00 45.63 C +ATOM 2182 CE1 TYR A 274 42.285 -7.634 21.534 1.00 47.47 C +ATOM 2183 CE2 TYR A 274 43.725 -6.057 22.626 1.00 46.88 C +ATOM 2184 CZ TYR A 274 43.412 -7.368 22.290 1.00 48.39 C +ATOM 2185 OH TYR A 274 44.231 -8.412 22.690 1.00 50.20 O +ATOM 2186 N ILE A 275 41.194 -2.548 23.342 1.00 41.35 N +ATOM 2187 CA ILE A 275 41.889 -2.074 24.528 1.00 40.94 C +ATOM 2188 C ILE A 275 40.926 -1.914 25.670 1.00 41.10 C +ATOM 2189 O ILE A 275 41.246 -2.288 26.793 1.00 40.37 O +ATOM 2190 CB ILE A 275 42.585 -0.709 24.245 1.00 40.44 C +ATOM 2191 CG1 ILE A 275 43.772 -0.925 23.301 1.00 40.17 C +ATOM 2192 CG2 ILE A 275 43.014 -0.048 25.556 1.00 39.62 C +ATOM 2193 CD1 ILE A 275 44.196 0.310 22.557 1.00 40.42 C +ATOM 2194 N PHE A 276 39.752 -1.356 25.396 1.00 41.67 N +ATOM 2195 CA PHE A 276 38.779 -1.147 26.457 1.00 42.21 C +ATOM 2196 C PHE A 276 38.413 -2.486 27.029 1.00 42.27 C +ATOM 2197 O PHE A 276 38.315 -2.659 28.247 1.00 42.68 O +ATOM 2198 CB PHE A 276 37.529 -0.446 25.914 1.00 40.99 C +ATOM 2199 CG PHE A 276 36.482 -0.186 26.962 1.00 38.90 C +ATOM 2200 CD1 PHE A 276 36.734 0.687 28.015 1.00 38.05 C +ATOM 2201 CD2 PHE A 276 35.245 -0.818 26.902 1.00 37.02 C +ATOM 2202 CE1 PHE A 276 35.765 0.927 28.989 1.00 36.37 C +ATOM 2203 CE2 PHE A 276 34.282 -0.577 27.873 1.00 35.04 C +ATOM 2204 CZ PHE A 276 34.544 0.296 28.915 1.00 34.91 C +ATOM 2205 N THR A 277 38.251 -3.448 26.142 1.00 42.46 N +ATOM 2206 CA THR A 277 37.876 -4.775 26.556 1.00 43.62 C +ATOM 2207 C THR A 277 39.092 -5.609 26.926 1.00 44.75 C +ATOM 2208 O THR A 277 38.947 -6.764 27.273 1.00 45.69 O +ATOM 2209 CB THR A 277 37.071 -5.447 25.451 1.00 43.11 C +ATOM 2210 OG1 THR A 277 37.854 -5.508 24.255 1.00 43.75 O +ATOM 2211 CG2 THR A 277 35.812 -4.641 25.181 1.00 42.27 C +ATOM 2212 N HIS A 278 40.289 -5.044 26.861 1.00 45.24 N +ATOM 2213 CA HIS A 278 41.483 -5.804 27.235 1.00 45.15 C +ATOM 2214 C HIS A 278 42.454 -4.871 27.939 1.00 45.51 C +ATOM 2215 O HIS A 278 43.643 -4.848 27.626 1.00 45.87 O +ATOM 2216 CB HIS A 278 42.148 -6.413 25.998 1.00 45.98 C +ATOM 2217 CG HIS A 278 41.332 -7.472 25.326 1.00 47.26 C +ATOM 2218 ND1 HIS A 278 40.135 -7.206 24.696 1.00 47.71 N +ATOM 2219 CD2 HIS A 278 41.537 -8.806 25.193 1.00 47.73 C +ATOM 2220 CE1 HIS A 278 39.639 -8.330 24.205 1.00 48.83 C +ATOM 2221 NE2 HIS A 278 40.470 -9.316 24.493 1.00 48.11 N +ATOM 2222 N GLN A 279 41.941 -4.105 28.890 1.00 44.65 N +ATOM 2223 CA GLN A 279 42.743 -3.146 29.618 1.00 44.79 C +ATOM 2224 C GLN A 279 43.864 -3.871 30.345 1.00 44.79 C +ATOM 2225 O GLN A 279 43.640 -4.936 30.873 1.00 45.93 O +ATOM 2226 CB GLN A 279 41.822 -2.400 30.587 1.00 44.85 C +ATOM 2227 CG GLN A 279 40.492 -2.055 29.930 1.00 46.41 C +ATOM 2228 CD GLN A 279 39.481 -1.432 30.868 1.00 47.55 C +ATOM 2229 OE1 GLN A 279 39.399 -0.207 30.997 1.00 49.15 O +ATOM 2230 NE2 GLN A 279 38.701 -2.275 31.531 1.00 46.51 N +ATOM 2231 N GLY A 280 45.075 -3.323 30.338 1.00 44.86 N +ATOM 2232 CA GLY A 280 46.174 -3.959 31.053 1.00 44.15 C +ATOM 2233 C GLY A 280 46.905 -5.103 30.371 1.00 44.62 C +ATOM 2234 O GLY A 280 47.923 -5.588 30.880 1.00 45.40 O +ATOM 2235 N SER A 281 46.386 -5.540 29.229 1.00 44.32 N +ATOM 2236 CA SER A 281 47.003 -6.617 28.476 1.00 44.32 C +ATOM 2237 C SER A 281 48.261 -6.115 27.827 1.00 44.28 C +ATOM 2238 O SER A 281 48.593 -4.935 27.948 1.00 43.43 O +ATOM 2239 CB SER A 281 46.048 -7.154 27.418 1.00 45.59 C +ATOM 2240 OG SER A 281 45.542 -6.112 26.606 1.00 46.94 O +ATOM 2241 N ASP A 282 48.934 -6.994 27.097 1.00 44.44 N +ATOM 2242 CA ASP A 282 50.206 -6.643 26.508 1.00 45.21 C +ATOM 2243 C ASP A 282 50.185 -6.109 25.075 1.00 45.22 C +ATOM 2244 O ASP A 282 50.551 -6.832 24.154 1.00 46.38 O +ATOM 2245 CB ASP A 282 51.134 -7.851 26.592 1.00 47.94 C +ATOM 2246 CG ASP A 282 52.594 -7.489 26.337 1.00 51.12 C +ATOM 2247 OD1 ASP A 282 52.899 -6.273 26.283 1.00 53.22 O +ATOM 2248 OD2 ASP A 282 53.436 -8.419 26.208 1.00 53.02 O +ATOM 2249 N PHE A 283 49.777 -4.861 24.871 1.00 43.61 N +ATOM 2250 CA PHE A 283 49.839 -4.277 23.535 1.00 41.92 C +ATOM 2251 C PHE A 283 50.973 -3.270 23.555 1.00 41.71 C +ATOM 2252 O PHE A 283 51.353 -2.827 24.633 1.00 41.81 O +ATOM 2253 CB PHE A 283 48.512 -3.604 23.130 1.00 41.74 C +ATOM 2254 CG PHE A 283 47.867 -2.805 24.211 1.00 40.74 C +ATOM 2255 CD1 PHE A 283 46.885 -3.368 25.008 1.00 40.95 C +ATOM 2256 CD2 PHE A 283 48.247 -1.489 24.442 1.00 41.36 C +ATOM 2257 CE1 PHE A 283 46.285 -2.635 26.028 1.00 40.95 C +ATOM 2258 CE2 PHE A 283 47.656 -0.743 25.459 1.00 41.42 C +ATOM 2259 CZ PHE A 283 46.671 -1.319 26.257 1.00 40.99 C +ATOM 2260 N GLY A 284 51.525 -2.911 22.398 1.00 42.13 N +ATOM 2261 CA GLY A 284 52.632 -1.960 22.386 1.00 41.42 C +ATOM 2262 C GLY A 284 52.278 -0.583 21.869 1.00 41.15 C +ATOM 2263 O GLY A 284 51.132 -0.349 21.492 1.00 41.21 O +ATOM 2264 N PRO A 285 53.249 0.348 21.821 1.00 40.27 N +ATOM 2265 CA PRO A 285 53.005 1.717 21.338 1.00 40.52 C +ATOM 2266 C PRO A 285 52.540 1.859 19.889 1.00 41.14 C +ATOM 2267 O PRO A 285 51.765 2.756 19.576 1.00 42.79 O +ATOM 2268 CB PRO A 285 54.348 2.423 21.593 1.00 39.31 C +ATOM 2269 CG PRO A 285 55.334 1.332 21.465 1.00 39.28 C +ATOM 2270 CD PRO A 285 54.661 0.177 22.201 1.00 39.35 C +ATOM 2271 N ILE A 286 52.996 0.976 19.010 1.00 41.31 N +ATOM 2272 CA ILE A 286 52.630 1.068 17.598 1.00 40.83 C +ATOM 2273 C ILE A 286 51.182 0.675 17.402 1.00 40.23 C +ATOM 2274 O ILE A 286 50.502 1.235 16.543 1.00 40.30 O +ATOM 2275 CB ILE A 286 53.541 0.156 16.725 1.00 41.27 C +ATOM 2276 CG1 ILE A 286 55.026 0.364 17.092 1.00 41.51 C +ATOM 2277 CG2 ILE A 286 53.308 0.454 15.256 1.00 41.59 C +ATOM 2278 CD1 ILE A 286 55.574 1.772 16.896 1.00 41.86 C +ATOM 2279 N PHE A 287 50.723 -0.275 18.208 1.00 39.88 N +ATOM 2280 CA PHE A 287 49.361 -0.774 18.140 1.00 38.89 C +ATOM 2281 C PHE A 287 48.375 0.329 17.787 1.00 39.45 C +ATOM 2282 O PHE A 287 47.716 0.250 16.741 1.00 40.57 O +ATOM 2283 CB PHE A 287 48.985 -1.418 19.481 1.00 38.14 C +ATOM 2284 CG PHE A 287 47.660 -2.146 19.470 1.00 36.53 C +ATOM 2285 CD1 PHE A 287 47.263 -2.900 18.367 1.00 36.38 C +ATOM 2286 CD2 PHE A 287 46.846 -2.148 20.600 1.00 36.07 C +ATOM 2287 CE1 PHE A 287 46.081 -3.647 18.397 1.00 34.98 C +ATOM 2288 CE2 PHE A 287 45.665 -2.891 20.644 1.00 34.56 C +ATOM 2289 CZ PHE A 287 45.286 -3.638 19.544 1.00 35.29 C +ATOM 2290 N MET A 288 48.287 1.369 18.611 1.00 39.45 N +ATOM 2291 CA MET A 288 47.308 2.441 18.378 1.00 38.54 C +ATOM 2292 C MET A 288 47.852 3.639 17.604 1.00 37.07 C +ATOM 2293 O MET A 288 47.081 4.466 17.122 1.00 36.39 O +ATOM 2294 CB MET A 288 46.718 2.892 19.721 1.00 39.66 C +ATOM 2295 CG MET A 288 45.702 4.014 19.623 1.00 40.12 C +ATOM 2296 SD MET A 288 44.301 3.691 18.533 1.00 42.85 S +ATOM 2297 CE MET A 288 42.959 3.521 19.732 1.00 41.67 C +ATOM 2298 N THR A 289 49.156 3.747 17.456 1.00 35.49 N +ATOM 2299 CA THR A 289 49.665 4.885 16.726 1.00 34.85 C +ATOM 2300 C THR A 289 49.176 4.855 15.280 1.00 35.92 C +ATOM 2301 O THR A 289 48.738 5.880 14.749 1.00 36.62 O +ATOM 2302 CB THR A 289 51.198 4.906 16.759 1.00 33.72 C +ATOM 2303 OG1 THR A 289 51.637 5.052 18.113 1.00 34.25 O +ATOM 2304 CG2 THR A 289 51.732 6.051 15.941 1.00 32.04 C +ATOM 2305 N ILE A 290 49.220 3.689 14.650 1.00 35.96 N +ATOM 2306 CA ILE A 290 48.832 3.593 13.252 1.00 35.16 C +ATOM 2307 C ILE A 290 47.394 4.019 12.952 1.00 35.52 C +ATOM 2308 O ILE A 290 47.197 4.883 12.112 1.00 36.96 O +ATOM 2309 CB ILE A 290 49.043 2.176 12.703 1.00 35.47 C +ATOM 2310 CG1 ILE A 290 50.435 1.656 13.076 1.00 34.59 C +ATOM 2311 CG2 ILE A 290 48.853 2.206 11.187 1.00 34.87 C +ATOM 2312 CD1 ILE A 290 51.532 2.352 12.374 1.00 34.48 C +ATOM 2313 N PRO A 291 46.379 3.430 13.607 1.00 34.86 N +ATOM 2314 CA PRO A 291 45.019 3.869 13.270 1.00 34.25 C +ATOM 2315 C PRO A 291 44.718 5.255 13.787 1.00 35.04 C +ATOM 2316 O PRO A 291 43.953 5.975 13.170 1.00 36.09 O +ATOM 2317 CB PRO A 291 44.139 2.802 13.915 1.00 33.39 C +ATOM 2318 CG PRO A 291 44.890 2.438 15.107 1.00 34.45 C +ATOM 2319 CD PRO A 291 46.334 2.348 14.606 1.00 34.66 C +ATOM 2320 N ALA A 292 45.324 5.625 14.912 1.00 35.81 N +ATOM 2321 CA ALA A 292 45.124 6.937 15.514 1.00 36.76 C +ATOM 2322 C ALA A 292 45.592 8.020 14.564 1.00 37.75 C +ATOM 2323 O ALA A 292 44.862 8.992 14.332 1.00 38.27 O +ATOM 2324 CB ALA A 292 45.887 7.029 16.820 1.00 36.63 C +ATOM 2325 N PHE A 293 46.797 7.870 14.013 1.00 38.23 N +ATOM 2326 CA PHE A 293 47.332 8.878 13.092 1.00 38.11 C +ATOM 2327 C PHE A 293 46.714 8.764 11.696 1.00 38.26 C +ATOM 2328 O PHE A 293 46.587 9.786 11.031 1.00 39.16 O +ATOM 2329 CB PHE A 293 48.881 8.812 13.022 1.00 36.80 C +ATOM 2330 CG PHE A 293 49.585 9.672 14.071 1.00 36.11 C +ATOM 2331 CD1 PHE A 293 49.547 9.322 15.428 1.00 35.60 C +ATOM 2332 CD2 PHE A 293 50.225 10.870 13.706 1.00 35.54 C +ATOM 2333 CE1 PHE A 293 50.126 10.153 16.400 1.00 35.37 C +ATOM 2334 CE2 PHE A 293 50.804 11.707 14.669 1.00 34.82 C +ATOM 2335 CZ PHE A 293 50.754 11.352 16.014 1.00 35.32 C +ATOM 2336 N PHE A 294 46.326 7.561 11.263 1.00 38.34 N +ATOM 2337 CA PHE A 294 45.732 7.396 9.940 1.00 37.55 C +ATOM 2338 C PHE A 294 44.389 8.078 9.893 1.00 37.97 C +ATOM 2339 O PHE A 294 44.026 8.649 8.875 1.00 38.24 O +ATOM 2340 CB PHE A 294 45.538 5.922 9.598 1.00 36.40 C +ATOM 2341 CG PHE A 294 44.619 5.700 8.433 1.00 34.43 C +ATOM 2342 CD1 PHE A 294 44.939 6.185 7.178 1.00 34.10 C +ATOM 2343 CD2 PHE A 294 43.411 5.053 8.598 1.00 34.69 C +ATOM 2344 CE1 PHE A 294 44.069 6.030 6.101 1.00 34.06 C +ATOM 2345 CE2 PHE A 294 42.530 4.893 7.519 1.00 34.79 C +ATOM 2346 CZ PHE A 294 42.865 5.383 6.275 1.00 34.72 C +ATOM 2347 N ALA A 295 43.659 8.005 11.001 1.00 39.05 N +ATOM 2348 CA ALA A 295 42.330 8.596 11.118 1.00 39.24 C +ATOM 2349 C ALA A 295 42.377 10.104 10.979 1.00 40.30 C +ATOM 2350 O ALA A 295 41.348 10.698 10.651 1.00 41.34 O +ATOM 2351 CB ALA A 295 41.707 8.218 12.446 1.00 38.03 C +ATOM 2352 N LYS A 296 43.538 10.727 11.209 1.00 40.81 N +ATOM 2353 CA LYS A 296 43.652 12.188 11.096 1.00 40.30 C +ATOM 2354 C LYS A 296 43.513 12.639 9.657 1.00 40.53 C +ATOM 2355 O LYS A 296 43.510 13.830 9.428 1.00 41.84 O +ATOM 2356 CB LYS A 296 44.959 12.672 11.641 1.00 39.15 C +ATOM 2357 CG LYS A 296 45.045 12.291 13.101 1.00 40.26 C +ATOM 2358 CD LYS A 296 46.393 12.695 13.669 1.00 40.04 C +ATOM 2359 CE LYS A 296 46.627 12.709 15.174 1.00 39.92 C +ATOM 2360 NZ LYS A 296 45.589 12.484 16.204 1.00 41.03 N +ATOM 2361 N THR A 297 43.430 11.724 8.693 1.00 40.51 N +ATOM 2362 CA THR A 297 43.258 12.147 7.309 1.00 39.77 C +ATOM 2363 C THR A 297 41.806 12.562 7.125 1.00 39.47 C +ATOM 2364 O THR A 297 41.417 13.080 6.070 1.00 39.23 O +ATOM 2365 CB THR A 297 43.636 11.025 6.313 1.00 39.22 C +ATOM 2366 OG1 THR A 297 42.953 9.810 6.657 1.00 39.19 O +ATOM 2367 CG2 THR A 297 45.127 10.805 6.321 1.00 37.46 C +ATOM 2368 N SER A 298 41.021 12.359 8.183 1.00 39.85 N +ATOM 2369 CA SER A 298 39.600 12.706 8.205 1.00 40.19 C +ATOM 2370 C SER A 298 39.404 14.208 8.059 1.00 40.81 C +ATOM 2371 O SER A 298 38.282 14.663 7.779 1.00 41.84 O +ATOM 2372 CB SER A 298 38.982 12.264 9.525 1.00 39.91 C +ATOM 2373 OG SER A 298 39.522 13.012 10.599 1.00 38.78 O +ATOM 2374 N ALA A 299 40.474 14.971 8.263 1.00 40.27 N +ATOM 2375 CA ALA A 299 40.401 16.420 8.162 1.00 40.56 C +ATOM 2376 C ALA A 299 40.595 16.845 6.742 1.00 41.33 C +ATOM 2377 O ALA A 299 40.545 18.049 6.462 1.00 41.15 O +ATOM 2378 CB ALA A 299 41.460 17.078 9.050 1.00 39.49 C +ATOM 2379 N VAL A 300 40.796 15.896 5.823 1.00 41.90 N +ATOM 2380 CA VAL A 300 41.029 16.278 4.428 1.00 42.45 C +ATOM 2381 C VAL A 300 40.230 15.502 3.380 1.00 42.33 C +ATOM 2382 O VAL A 300 39.856 16.088 2.371 1.00 42.72 O +ATOM 2383 CB VAL A 300 42.515 16.138 4.073 1.00 42.68 C +ATOM 2384 CG1 VAL A 300 43.356 16.903 5.048 1.00 42.19 C +ATOM 2385 CG2 VAL A 300 42.916 14.687 4.112 1.00 44.55 C +ATOM 2386 N TYR A 301 39.946 14.224 3.587 1.00 42.05 N +ATOM 2387 CA TYR A 301 39.275 13.498 2.521 1.00 42.24 C +ATOM 2388 C TYR A 301 37.918 14.034 2.166 1.00 42.58 C +ATOM 2389 O TYR A 301 37.562 13.923 1.014 1.00 43.44 O +ATOM 2390 CB TYR A 301 39.196 11.999 2.823 1.00 41.68 C +ATOM 2391 CG TYR A 301 38.142 11.606 3.813 1.00 41.42 C +ATOM 2392 CD1 TYR A 301 36.794 11.573 3.459 1.00 42.24 C +ATOM 2393 CD2 TYR A 301 38.488 11.311 5.121 1.00 41.29 C +ATOM 2394 CE1 TYR A 301 35.813 11.265 4.402 1.00 42.59 C +ATOM 2395 CE2 TYR A 301 37.529 10.998 6.066 1.00 42.48 C +ATOM 2396 CZ TYR A 301 36.192 10.982 5.713 1.00 42.81 C +ATOM 2397 OH TYR A 301 35.260 10.744 6.702 1.00 42.89 O +ATOM 2398 N ASN A 302 37.167 14.622 3.093 1.00 42.92 N +ATOM 2399 CA ASN A 302 35.820 15.105 2.745 1.00 43.04 C +ATOM 2400 C ASN A 302 35.813 16.060 1.561 1.00 43.21 C +ATOM 2401 O ASN A 302 35.075 15.817 0.600 1.00 43.79 O +ATOM 2402 CB ASN A 302 35.138 15.748 3.944 1.00 43.14 C +ATOM 2403 CG ASN A 302 34.535 14.720 4.876 1.00 44.68 C +ATOM 2404 OD1 ASN A 302 34.880 14.645 6.080 1.00 45.47 O +ATOM 2405 ND2 ASN A 302 33.630 13.905 4.332 1.00 43.72 N +ATOM 2406 N PRO A 303 36.606 17.153 1.604 1.00 43.10 N +ATOM 2407 CA PRO A 303 36.655 18.118 0.491 1.00 42.50 C +ATOM 2408 C PRO A 303 37.106 17.498 -0.826 1.00 41.95 C +ATOM 2409 O PRO A 303 36.653 17.916 -1.893 1.00 41.99 O +ATOM 2410 CB PRO A 303 37.646 19.170 0.987 1.00 42.71 C +ATOM 2411 CG PRO A 303 37.463 19.133 2.449 1.00 42.99 C +ATOM 2412 CD PRO A 303 37.382 17.657 2.751 1.00 42.57 C +ATOM 2413 N VAL A 304 37.990 16.509 -0.757 1.00 41.05 N +ATOM 2414 CA VAL A 304 38.475 15.873 -1.970 1.00 40.88 C +ATOM 2415 C VAL A 304 37.340 15.141 -2.654 1.00 40.60 C +ATOM 2416 O VAL A 304 37.148 15.275 -3.856 1.00 40.31 O +ATOM 2417 CB VAL A 304 39.641 14.893 -1.659 1.00 41.06 C +ATOM 2418 CG1 VAL A 304 40.173 14.273 -2.937 1.00 40.35 C +ATOM 2419 CG2 VAL A 304 40.755 15.640 -0.966 1.00 40.89 C +ATOM 2420 N ILE A 305 36.580 14.379 -1.884 1.00 41.11 N +ATOM 2421 CA ILE A 305 35.472 13.616 -2.432 1.00 42.14 C +ATOM 2422 C ILE A 305 34.473 14.568 -3.045 1.00 42.34 C +ATOM 2423 O ILE A 305 33.898 14.300 -4.097 1.00 42.73 O +ATOM 2424 CB ILE A 305 34.794 12.781 -1.323 1.00 42.17 C +ATOM 2425 CG1 ILE A 305 35.799 11.781 -0.742 1.00 41.98 C +ATOM 2426 CG2 ILE A 305 33.610 12.040 -1.884 1.00 42.40 C +ATOM 2427 CD1 ILE A 305 35.222 10.899 0.311 1.00 42.11 C +ATOM 2428 N TYR A 306 34.301 15.701 -2.387 1.00 42.85 N +ATOM 2429 CA TYR A 306 33.358 16.733 -2.786 1.00 43.67 C +ATOM 2430 C TYR A 306 33.724 17.343 -4.130 1.00 44.87 C +ATOM 2431 O TYR A 306 32.904 17.387 -5.036 1.00 45.65 O +ATOM 2432 CB TYR A 306 33.357 17.786 -1.682 1.00 42.80 C +ATOM 2433 CG TYR A 306 32.378 18.934 -1.810 1.00 41.96 C +ATOM 2434 CD1 TYR A 306 31.069 18.738 -2.257 1.00 41.00 C +ATOM 2435 CD2 TYR A 306 32.743 20.210 -1.380 1.00 40.74 C +ATOM 2436 CE1 TYR A 306 30.150 19.800 -2.264 1.00 40.31 C +ATOM 2437 CE2 TYR A 306 31.848 21.265 -1.373 1.00 40.44 C +ATOM 2438 CZ TYR A 306 30.557 21.065 -1.812 1.00 41.38 C +ATOM 2439 OH TYR A 306 29.689 22.139 -1.767 1.00 42.20 O +ATOM 2440 N ILE A 307 34.954 17.811 -4.257 1.00 45.55 N +ATOM 2441 CA ILE A 307 35.397 18.432 -5.484 1.00 46.20 C +ATOM 2442 C ILE A 307 35.446 17.432 -6.633 1.00 48.27 C +ATOM 2443 O ILE A 307 35.173 17.803 -7.781 1.00 49.61 O +ATOM 2444 CB ILE A 307 36.752 19.050 -5.253 1.00 44.78 C +ATOM 2445 CG1 ILE A 307 36.637 19.996 -4.068 1.00 44.21 C +ATOM 2446 CG2 ILE A 307 37.219 19.781 -6.488 1.00 44.31 C +ATOM 2447 CD1 ILE A 307 37.939 20.413 -3.501 1.00 45.27 C +ATOM 2448 N MET A 308 35.767 16.175 -6.348 1.00 49.48 N +ATOM 2449 CA MET A 308 35.831 15.174 -7.407 1.00 50.45 C +ATOM 2450 C MET A 308 34.445 14.653 -7.776 1.00 51.24 C +ATOM 2451 O MET A 308 34.238 14.200 -8.919 1.00 51.71 O +ATOM 2452 CB MET A 308 36.707 13.990 -6.980 1.00 51.07 C +ATOM 2453 CG MET A 308 38.065 14.374 -6.431 1.00 52.58 C +ATOM 2454 SD MET A 308 38.902 15.651 -7.396 1.00 54.18 S +ATOM 2455 CE MET A 308 38.880 14.902 -8.936 1.00 54.19 C +ATOM 2456 N MET A 309 33.499 14.708 -6.838 1.00 52.10 N +ATOM 2457 CA MET A 309 32.157 14.172 -7.101 1.00 52.25 C +ATOM 2458 C MET A 309 31.077 15.249 -7.203 1.00 51.82 C +ATOM 2459 O MET A 309 29.900 14.959 -6.986 1.00 51.58 O +ATOM 2460 CB MET A 309 31.773 13.147 -6.024 1.00 52.34 C +ATOM 2461 CG MET A 309 32.688 11.931 -5.963 1.00 52.54 C +ATOM 2462 SD MET A 309 32.050 10.663 -4.856 1.00 53.65 S +ATOM 2463 CE MET A 309 30.866 9.882 -5.921 1.00 53.61 C +ATOM 2464 N ASN A 310 31.455 16.474 -7.539 1.00 51.27 N +ATOM 2465 CA ASN A 310 30.458 17.511 -7.660 1.00 50.82 C +ATOM 2466 C ASN A 310 30.859 18.472 -8.729 1.00 51.62 C +ATOM 2467 O ASN A 310 31.595 19.425 -8.455 1.00 51.79 O +ATOM 2468 CB ASN A 310 30.307 18.224 -6.348 1.00 49.80 C +ATOM 2469 CG ASN A 310 28.915 18.685 -6.128 1.00 49.50 C +ATOM 2470 OD1 ASN A 310 28.577 19.849 -6.372 1.00 48.10 O +ATOM 2471 ND2 ASN A 310 28.067 17.764 -5.680 1.00 49.32 N +ATOM 2472 N LYS A 311 30.371 18.224 -9.944 1.00 51.93 N +ATOM 2473 CA LYS A 311 30.693 19.042 -11.105 1.00 52.55 C +ATOM 2474 C LYS A 311 30.421 20.504 -10.825 1.00 52.34 C +ATOM 2475 O LYS A 311 31.208 21.347 -11.255 1.00 53.34 O +ATOM 2476 CB LYS A 311 29.879 18.577 -12.320 1.00 53.76 C +ATOM 2477 CG LYS A 311 30.543 18.809 -13.696 1.00 56.46 C +ATOM 2478 CD LYS A 311 31.240 17.531 -14.257 1.00 58.75 C +ATOM 2479 CE LYS A 311 31.672 17.659 -15.744 1.00 59.26 C +ATOM 2480 NZ LYS A 311 32.651 18.760 -15.986 1.00 59.04 N +ATOM 2481 N GLN A 312 29.345 20.815 -10.099 1.00 51.86 N +ATOM 2482 CA GLN A 312 29.012 22.211 -9.821 1.00 50.97 C +ATOM 2483 C GLN A 312 29.961 22.877 -8.862 1.00 50.06 C +ATOM 2484 O GLN A 312 30.321 24.020 -9.094 1.00 50.53 O +ATOM 2485 CB GLN A 312 27.604 22.366 -9.265 1.00 51.93 C +ATOM 2486 CG GLN A 312 27.317 23.836 -8.887 1.00 54.40 C +ATOM 2487 CD GLN A 312 25.913 24.089 -8.310 1.00 55.80 C +ATOM 2488 OE1 GLN A 312 25.533 23.541 -7.262 1.00 56.77 O +ATOM 2489 NE2 GLN A 312 25.143 24.935 -8.991 1.00 56.38 N +ATOM 2490 N PHE A 313 30.348 22.213 -7.777 1.00 48.56 N +ATOM 2491 CA PHE A 313 31.258 22.840 -6.832 1.00 45.99 C +ATOM 2492 C PHE A 313 32.636 22.944 -7.431 1.00 45.66 C +ATOM 2493 O PHE A 313 33.309 23.938 -7.231 1.00 44.31 O +ATOM 2494 CB PHE A 313 31.322 22.043 -5.549 1.00 45.26 C +ATOM 2495 CG PHE A 313 32.146 22.694 -4.503 1.00 44.35 C +ATOM 2496 CD1 PHE A 313 31.658 23.793 -3.810 1.00 43.88 C +ATOM 2497 CD2 PHE A 313 33.438 22.242 -4.239 1.00 44.61 C +ATOM 2498 CE1 PHE A 313 32.444 24.440 -2.866 1.00 44.09 C +ATOM 2499 CE2 PHE A 313 34.238 22.878 -3.296 1.00 44.31 C +ATOM 2500 CZ PHE A 313 33.742 23.980 -2.607 1.00 44.15 C +ATOM 2501 N ARG A 314 33.049 21.912 -8.159 1.00 46.07 N +ATOM 2502 CA ARG A 314 34.356 21.887 -8.811 1.00 46.86 C +ATOM 2503 C ARG A 314 34.483 23.074 -9.754 1.00 47.61 C +ATOM 2504 O ARG A 314 35.515 23.731 -9.806 1.00 46.24 O +ATOM 2505 CB ARG A 314 34.513 20.582 -9.589 1.00 45.95 C +ATOM 2506 CG ARG A 314 35.866 20.396 -10.220 1.00 45.03 C +ATOM 2507 CD ARG A 314 36.034 18.952 -10.647 1.00 44.68 C +ATOM 2508 NE ARG A 314 35.141 18.526 -11.725 1.00 43.80 N +ATOM 2509 CZ ARG A 314 34.273 17.521 -11.623 1.00 44.16 C +ATOM 2510 NH1 ARG A 314 34.155 16.845 -10.487 1.00 44.35 N +ATOM 2511 NH2 ARG A 314 33.564 17.142 -12.676 1.00 44.67 N +ATOM 2512 N ASN A 315 33.414 23.330 -10.493 1.00 49.36 N +ATOM 2513 CA ASN A 315 33.347 24.426 -11.444 1.00 51.80 C +ATOM 2514 C ASN A 315 33.394 25.754 -10.746 1.00 53.62 C +ATOM 2515 O ASN A 315 34.075 26.657 -11.213 1.00 54.30 O +ATOM 2516 CB ASN A 315 32.060 24.327 -12.233 1.00 52.21 C +ATOM 2517 CG ASN A 315 32.256 23.663 -13.544 1.00 54.38 C +ATOM 2518 OD1 ASN A 315 32.756 24.282 -14.477 1.00 57.05 O +ATOM 2519 ND2 ASN A 315 31.890 22.386 -13.633 1.00 55.09 N +ATOM 2520 N CYS A 316 32.653 25.887 -9.650 1.00 55.48 N +ATOM 2521 CA CYS A 316 32.641 27.139 -8.890 1.00 57.05 C +ATOM 2522 C CYS A 316 34.029 27.388 -8.336 1.00 58.17 C +ATOM 2523 O CYS A 316 34.420 28.542 -8.148 1.00 58.87 O +ATOM 2524 CB CYS A 316 31.617 27.089 -7.737 1.00 56.58 C +ATOM 2525 SG CYS A 316 29.919 27.553 -8.199 1.00 55.84 S +ATOM 2526 N MET A 317 34.768 26.311 -8.084 1.00 59.05 N +ATOM 2527 CA MET A 317 36.122 26.409 -7.562 1.00 58.87 C +ATOM 2528 C MET A 317 37.060 26.823 -8.689 1.00 58.41 C +ATOM 2529 O MET A 317 37.882 27.718 -8.503 1.00 57.38 O +ATOM 2530 CB MET A 317 36.547 25.062 -6.994 1.00 59.54 C +ATOM 2531 CG MET A 317 37.944 25.065 -6.417 1.00 60.71 C +ATOM 2532 SD MET A 317 38.527 23.397 -6.188 1.00 63.89 S +ATOM 2533 CE MET A 317 38.980 22.924 -8.005 1.00 61.24 C +ATOM 2534 N VAL A 318 36.941 26.167 -9.844 1.00 58.22 N +ATOM 2535 CA VAL A 318 37.772 26.504 -10.988 1.00 58.23 C +ATOM 2536 C VAL A 318 37.479 27.929 -11.342 1.00 59.38 C +ATOM 2537 O VAL A 318 38.385 28.688 -11.614 1.00 59.91 O +ATOM 2538 CB VAL A 318 37.460 25.640 -12.195 1.00 56.78 C +ATOM 2539 CG1 VAL A 318 38.290 26.080 -13.355 1.00 55.47 C +ATOM 2540 CG2 VAL A 318 37.745 24.206 -11.875 1.00 57.63 C +ATOM 2541 N THR A 319 36.205 28.299 -11.330 1.00 60.21 N +ATOM 2542 CA THR A 319 35.818 29.670 -11.632 1.00 60.64 C +ATOM 2543 C THR A 319 36.507 30.611 -10.667 1.00 61.29 C +ATOM 2544 O THR A 319 37.049 31.616 -11.091 1.00 61.78 O +ATOM 2545 CB THR A 319 34.302 29.857 -11.513 1.00 60.39 C +ATOM 2546 OG1 THR A 319 33.664 29.357 -12.693 1.00 61.40 O +ATOM 2547 CG2 THR A 319 33.965 31.311 -11.330 1.00 60.66 C +ATOM 2548 N THR A 320 36.486 30.280 -9.377 1.00 62.25 N +ATOM 2549 CA THR A 320 37.111 31.102 -8.340 1.00 63.22 C +ATOM 2550 C THR A 320 38.619 31.138 -8.531 1.00 65.00 C +ATOM 2551 O THR A 320 39.179 32.218 -8.667 1.00 64.19 O +ATOM 2552 CB THR A 320 36.794 30.550 -6.928 1.00 62.86 C +ATOM 2553 OG1 THR A 320 35.377 30.532 -6.729 1.00 63.11 O +ATOM 2554 CG2 THR A 320 37.410 31.422 -5.855 1.00 61.82 C +ATOM 2555 N LEU A 321 39.267 29.971 -8.535 1.00 67.89 N +ATOM 2556 CA LEU A 321 40.718 29.891 -8.713 1.00 70.92 C +ATOM 2557 C LEU A 321 41.160 30.667 -9.938 1.00 74.10 C +ATOM 2558 O LEU A 321 42.120 31.424 -9.832 1.00 74.29 O +ATOM 2559 CB LEU A 321 41.178 28.435 -8.847 1.00 69.23 C +ATOM 2560 CG LEU A 321 41.314 27.582 -7.588 1.00 67.32 C +ATOM 2561 CD1 LEU A 321 41.736 26.185 -7.974 1.00 66.89 C +ATOM 2562 CD2 LEU A 321 42.334 28.181 -6.669 1.00 66.28 C +ATOM 2563 N CYS A 322 40.482 30.487 -11.078 1.00 78.44 N +ATOM 2564 CA CYS A 322 40.835 31.190 -12.319 1.00 82.99 C +ATOM 2565 C CYS A 322 40.571 32.661 -12.178 1.00 85.44 C +ATOM 2566 O CYS A 322 40.216 33.310 -13.153 1.00 85.76 O +ATOM 2567 CB CYS A 322 40.095 30.680 -13.558 1.00 84.00 C +ATOM 2568 SG CYS A 322 40.200 28.891 -13.832 1.00 88.36 S +ATOM 2569 N CYS A 323 40.733 33.157 -10.951 1.00 88.92 N +ATOM 2570 CA CYS A 323 40.564 34.565 -10.579 1.00 92.40 C +ATOM 2571 C CYS A 323 39.303 35.137 -11.195 1.00 93.52 C +ATOM 2572 O CYS A 323 38.373 35.452 -10.462 1.00 94.02 O +ATOM 2573 CB CYS A 323 41.787 35.378 -11.000 1.00 93.13 C +ATOM 2574 SG CYS A 323 43.328 34.809 -10.190 1.00 97.77 S +ATOM 2575 N GLY A 324 39.267 35.286 -12.512 1.00 95.26 N +ATOM 2576 CA GLY A 324 38.075 35.806 -13.153 1.00 97.48 C +ATOM 2577 C GLY A 324 36.999 34.739 -13.174 1.00 99.06 C +ATOM 2578 O GLY A 324 36.445 34.393 -12.142 1.00 98.88 O +ATOM 2579 N LYS A 325 36.701 34.215 -14.354 1.00100.80 N +ATOM 2580 CA LYS A 325 35.694 33.172 -14.481 1.00102.88 C +ATOM 2581 C LYS A 325 36.211 32.128 -15.437 1.00104.27 C +ATOM 2582 O LYS A 325 37.259 31.515 -15.173 1.00103.95 O +ATOM 2583 CB LYS A 325 34.364 33.744 -15.013 1.00103.52 C +ATOM 2584 CG LYS A 325 33.211 32.729 -15.015 1.00103.72 C +ATOM 2585 CD LYS A 325 32.142 33.025 -16.055 1.00103.15 C +ATOM 2586 CE LYS A 325 31.171 31.867 -16.090 1.00103.27 C +ATOM 2587 NZ LYS A 325 30.294 31.896 -17.263 1.00102.69 N +ATOM 2588 N ASN A 326 35.494 31.948 -16.548 1.00105.98 N +ATOM 2589 CA ASN A 326 35.859 30.966 -17.554 1.00107.38 C +ATOM 2590 C ASN A 326 35.984 29.629 -16.849 1.00108.23 C +ATOM 2591 O ASN A 326 37.095 29.134 -16.639 1.00107.85 O +ATOM 2592 CB ASN A 326 37.176 31.381 -18.223 1.00107.78 C +ATOM 2593 CG ASN A 326 37.681 30.359 -19.216 1.00108.33 C +ATOM 2594 OD1 ASN A 326 36.927 29.836 -20.045 1.00108.48 O +ATOM 2595 ND2 ASN A 326 38.974 30.079 -19.150 1.00108.49 N +ATOM 2596 N PRO A 327 34.836 29.040 -16.446 1.00109.17 N +ATOM 2597 CA PRO A 327 34.801 27.751 -15.748 1.00109.87 C +ATOM 2598 C PRO A 327 35.182 26.585 -16.647 1.00110.75 C +ATOM 2599 O PRO A 327 34.724 25.464 -16.401 1.00111.02 O +ATOM 2600 CB PRO A 327 33.354 27.667 -15.257 1.00109.46 C +ATOM 2601 CG PRO A 327 32.602 28.328 -16.363 1.00109.53 C +ATOM 2602 CD PRO A 327 33.467 29.546 -16.671 1.00109.36 C +ATOM 2603 N LEU A 328 36.009 26.854 -17.664 1.00111.40 N +ATOM 2604 CA LEU A 328 36.481 25.848 -18.630 1.00111.99 C +ATOM 2605 C LEU A 328 35.712 24.543 -18.524 1.00112.88 C +ATOM 2606 O LEU A 328 34.593 24.452 -19.045 1.00113.43 O +ATOM 2607 CB LEU A 328 37.974 25.556 -18.431 1.00111.04 C +ATOM 2608 CG LEU A 328 38.959 26.683 -18.722 1.00110.56 C +ATOM 2609 CD1 LEU A 328 38.513 27.398 -19.998 1.00110.06 C +ATOM 2610 CD2 LEU A 328 39.028 27.639 -17.543 1.00109.80 C +ATOM 2611 N GLY A 329 36.325 23.554 -17.860 1.00113.30 N +ATOM 2612 CA GLY A 329 35.736 22.234 -17.668 1.00113.60 C +ATOM 2613 C GLY A 329 34.661 21.866 -18.668 1.00114.06 C +ATOM 2614 O GLY A 329 34.807 22.040 -19.884 1.00114.36 O +ATOM 2615 N ASP A 330 33.580 21.314 -18.140 1.00114.20 N +ATOM 2616 CA ASP A 330 32.422 20.972 -18.943 1.00114.52 C +ATOM 2617 C ASP A 330 31.262 21.713 -18.301 1.00115.39 C +ATOM 2618 O ASP A 330 30.115 21.537 -18.711 1.00116.04 O +ATOM 2619 CB ASP A 330 32.160 19.458 -18.910 1.00112.70 C +ATOM 2620 CG ASP A 330 33.254 18.660 -19.582 1.00111.12 C +ATOM 2621 OD1 ASP A 330 33.060 17.443 -19.786 1.00110.11 O +ATOM 2622 OD2 ASP A 330 34.308 19.246 -19.902 1.00110.08 O +ATOM 2623 N ASP A 331 31.589 22.571 -17.325 1.00115.95 N +ATOM 2624 CA ASP A 331 30.606 23.326 -16.527 1.00116.44 C +ATOM 2625 C ASP A 331 29.782 22.244 -15.803 1.00116.30 C +ATOM 2626 O ASP A 331 30.336 21.164 -15.521 1.00116.34 O +ATOM 2627 CB ASP A 331 29.707 24.230 -17.425 1.00116.73 C +ATOM 2628 CG ASP A 331 29.906 25.761 -17.167 1.00117.42 C +ATOM 2629 OD1 ASP A 331 29.532 26.273 -16.079 1.00117.21 O +ATOM 2630 OD2 ASP A 331 30.429 26.459 -18.072 1.00118.04 O +ATOM 2631 N GLU A 332 28.512 22.508 -15.489 1.00115.69 N +ATOM 2632 CA GLU A 332 27.659 21.497 -14.849 1.00114.34 C +ATOM 2633 C GLU A 332 26.561 21.132 -15.857 1.00113.79 C +ATOM 2634 O GLU A 332 25.743 20.238 -15.597 1.00113.40 O +ATOM 2635 CB GLU A 332 27.029 22.051 -13.555 1.00113.82 C +ATOM 2636 CG GLU A 332 26.759 21.014 -12.430 1.00113.49 C +ATOM 2637 CD GLU A 332 25.518 20.120 -12.639 1.00113.14 C +ATOM 2638 OE1 GLU A 332 25.547 19.212 -13.496 1.00112.70 O +ATOM 2639 OE2 GLU A 332 24.507 20.320 -11.931 1.00112.71 O +ATOM 2640 N ALA A 333 26.571 21.813 -17.011 1.00112.60 N +ATOM 2641 CA ALA A 333 25.571 21.617 -18.070 1.00110.91 C +ATOM 2642 C ALA A 333 24.268 22.148 -17.532 1.00109.43 C +ATOM 2643 O ALA A 333 23.406 22.622 -18.286 1.00109.54 O +ATOM 2644 CB ALA A 333 25.433 20.131 -18.426 1.00111.42 C +ATOM 2645 N SER A 334 24.155 22.058 -16.208 1.00107.01 N +ATOM 2646 CA SER A 334 23.014 22.531 -15.448 1.00104.33 C +ATOM 2647 C SER A 334 23.439 23.807 -14.700 1.00102.04 C +ATOM 2648 O SER A 334 24.455 24.425 -15.055 1.00101.20 O +ATOM 2649 CB SER A 334 22.542 21.437 -14.469 1.00104.53 C +ATOM 2650 OG SER A 334 22.085 20.277 -15.158 1.00104.37 O +ATOM 2651 N THR A 335 22.676 24.184 -13.678 1.00 99.91 N +ATOM 2652 CA THR A 335 22.926 25.397 -12.897 1.00 97.76 C +ATOM 2653 C THR A 335 24.411 25.674 -12.639 1.00 95.39 C +ATOM 2654 O THR A 335 25.266 24.788 -12.743 1.00 94.72 O +ATOM 2655 CB THR A 335 22.144 25.360 -11.526 1.00 98.45 C +ATOM 2656 OG1 THR A 335 22.424 24.137 -10.830 1.00 98.50 O +ATOM 2657 CG2 THR A 335 20.631 25.458 -11.757 1.00 98.39 C +ATOM 2658 N THR A 336 24.694 26.932 -12.321 1.00 92.53 N +ATOM 2659 CA THR A 336 26.035 27.407 -12.008 1.00 89.69 C +ATOM 2660 C THR A 336 25.882 28.333 -10.798 1.00 87.30 C +ATOM 2661 O THR A 336 24.785 28.379 -10.245 1.00 86.86 O +ATOM 2662 CB THR A 336 26.639 28.160 -13.227 1.00 90.04 C +ATOM 2663 OG1 THR A 336 25.574 28.650 -14.057 1.00 89.89 O +ATOM 2664 CG2 THR A 336 27.548 27.224 -14.052 1.00 90.41 C +ATOM 2665 N VAL A 337 26.935 29.031 -10.364 1.00 84.79 N +ATOM 2666 CA VAL A 337 26.817 29.941 -9.218 1.00 81.89 C +ATOM 2667 C VAL A 337 28.100 30.654 -8.913 1.00 79.73 C +ATOM 2668 O VAL A 337 29.163 30.150 -9.169 1.00 77.63 O +ATOM 2669 CB VAL A 337 26.356 29.219 -7.942 1.00 82.00 C +ATOM 2670 CG1 VAL A 337 26.965 27.842 -7.856 1.00 82.25 C +ATOM 2671 CG2 VAL A 337 26.749 30.034 -6.732 1.00 82.57 C +ATOM 2672 N SER A 338 27.975 31.842 -8.358 1.00 78.60 N +ATOM 2673 CA SER A 338 29.121 32.627 -8.015 1.00 78.74 C +ATOM 2674 C SER A 338 28.666 33.879 -7.334 1.00 81.68 C +ATOM 2675 O SER A 338 27.669 33.861 -6.603 1.00 81.17 O +ATOM 2676 CB SER A 338 29.886 32.983 -9.260 1.00 76.21 C +ATOM 2677 OG SER A 338 29.890 31.886 -10.125 1.00 73.86 O +ATOM 2678 N LYS A 339 29.378 34.974 -7.594 1.00 84.78 N +ATOM 2679 CA LYS A 339 29.087 36.275 -6.979 1.00 87.97 C +ATOM 2680 C LYS A 339 28.468 37.316 -7.975 1.00 89.67 C +ATOM 2681 O LYS A 339 27.272 37.616 -7.842 1.00 90.21 O +ATOM 2682 CB LYS A 339 30.382 36.821 -6.353 1.00 88.24 C +ATOM 2683 CG LYS A 339 30.197 37.906 -5.284 1.00 89.20 C +ATOM 2684 CD LYS A 339 31.536 38.579 -4.950 1.00 88.95 C +ATOM 2685 CE LYS A 339 32.136 39.250 -6.189 1.00 87.89 C +ATOM 2686 NZ LYS A 339 33.504 39.758 -5.943 1.00 86.67 N +ATOM 2687 N THR A 340 29.242 37.855 -8.933 1.00 90.97 N +ATOM 2688 CA THR A 340 28.720 38.859 -9.890 1.00 92.41 C +ATOM 2689 C THR A 340 28.493 38.294 -11.308 1.00 92.93 C +ATOM 2690 O THR A 340 27.836 38.967 -12.141 1.00 93.30 O +ATOM 2691 CB THR A 340 29.668 40.091 -10.015 1.00 92.51 C +ATOM 2692 OG1 THR A 340 29.128 41.025 -10.969 1.00 92.61 O +ATOM 2693 CG2 THR A 340 31.065 39.649 -10.468 1.00 92.75 C +ATOM 2694 N GLU A 341 29.021 37.095 -11.584 1.00 92.74 N +ATOM 2695 CA GLU A 341 28.869 36.459 -12.904 1.00 92.06 C +ATOM 2696 C GLU A 341 27.427 36.009 -13.134 1.00 91.23 C +ATOM 2697 O GLU A 341 26.484 36.834 -13.076 1.00 91.70 O +ATOM 2698 CB GLU A 341 29.816 35.239 -13.065 1.00 92.98 C +ATOM 2699 CG GLU A 341 29.454 33.984 -12.239 1.00 92.47 C +ATOM 2700 CD GLU A 341 29.787 32.683 -12.959 1.00 91.97 C +ATOM 2701 OE1 GLU A 341 29.342 32.502 -14.109 1.00 91.44 O +ATOM 2702 OE2 GLU A 341 30.488 31.836 -12.380 1.00 91.76 O +ATOM 2703 N THR A 342 27.261 34.708 -13.381 1.00 88.75 N +ATOM 2704 CA THR A 342 25.959 34.127 -13.647 1.00 85.73 C +ATOM 2705 C THR A 342 25.361 33.508 -12.405 1.00 83.56 C +ATOM 2706 O THR A 342 24.849 32.398 -12.462 1.00 82.90 O +ATOM 2707 CB THR A 342 26.054 33.075 -14.756 1.00 85.59 C +ATOM 2708 OG1 THR A 342 24.733 32.751 -15.205 1.00 84.59 O +ATOM 2709 CG2 THR A 342 26.773 31.818 -14.253 1.00 84.86 C +ATOM 2710 N SER A 343 25.429 34.223 -11.285 1.00 81.53 N +ATOM 2711 CA SER A 343 24.839 33.761 -10.030 1.00 79.24 C +ATOM 2712 C SER A 343 23.386 34.238 -10.067 1.00 77.10 C +ATOM 2713 O SER A 343 22.671 34.251 -9.054 1.00 76.69 O +ATOM 2714 CB SER A 343 25.590 34.366 -8.837 1.00 80.11 C +ATOM 2715 OG SER A 343 25.673 33.450 -7.759 1.00 82.32 O +ATOM 2716 N GLN A 344 22.995 34.628 -11.283 1.00 74.72 N +ATOM 2717 CA GLN A 344 21.674 35.126 -11.680 1.00 71.81 C +ATOM 2718 C GLN A 344 20.561 34.171 -11.212 1.00 72.24 C +ATOM 2719 O GLN A 344 20.414 33.099 -11.771 1.00 72.29 O +ATOM 2720 CB GLN A 344 21.679 35.317 -13.235 1.00 69.25 C +ATOM 2721 CG GLN A 344 22.243 34.098 -14.123 1.00 64.14 C +ATOM 2722 CD GLN A 344 22.818 34.489 -15.523 1.00 60.15 C +ATOM 2723 OE1 GLN A 344 23.904 35.031 -15.620 1.00 58.82 O +ATOM 2724 NE2 GLN A 344 22.083 34.199 -16.577 1.00 51.41 N +ATOM 2725 N VAL A 345 19.792 34.554 -10.192 1.00 73.19 N +ATOM 2726 CA VAL A 345 18.710 33.707 -9.658 1.00 74.95 C +ATOM 2727 C VAL A 345 17.825 33.182 -10.774 1.00 76.66 C +ATOM 2728 O VAL A 345 17.412 33.949 -11.632 1.00 77.14 O +ATOM 2729 CB VAL A 345 17.825 34.479 -8.643 1.00 74.63 C +ATOM 2730 CG1 VAL A 345 16.766 33.556 -8.052 1.00 74.55 C +ATOM 2731 CG2 VAL A 345 18.698 35.069 -7.534 1.00 75.35 C +ATOM 2732 N ALA A 346 17.514 31.888 -10.754 1.00 79.03 N +ATOM 2733 CA ALA A 346 16.702 31.296 -11.813 1.00 81.76 C +ATOM 2734 C ALA A 346 15.798 30.182 -11.306 1.00 84.51 C +ATOM 2735 O ALA A 346 15.931 29.045 -11.776 1.00 84.65 O +ATOM 2736 CB ALA A 346 17.613 30.754 -12.905 1.00 80.90 C +ATOM 2737 N PRO A 347 14.880 30.470 -10.353 1.00 87.34 N +ATOM 2738 CA PRO A 347 13.990 29.406 -9.855 1.00 89.19 C +ATOM 2739 C PRO A 347 12.822 29.263 -10.812 1.00 90.67 C +ATOM 2740 O PRO A 347 12.970 28.774 -11.939 1.00 90.07 O +ATOM 2741 CB PRO A 347 13.525 29.932 -8.482 1.00 89.10 C +ATOM 2742 CG PRO A 347 14.470 31.080 -8.159 1.00 88.70 C +ATOM 2743 CD PRO A 347 14.749 31.675 -9.518 1.00 88.09 C +ATOM 2744 N ALA A 348 11.664 29.716 -10.347 1.00 92.82 N +ATOM 2745 CA ALA A 348 10.436 29.683 -11.129 1.00 95.17 C +ATOM 2746 C ALA A 348 9.879 31.115 -11.234 1.00 96.36 C +ATOM 2747 O ALA A 348 10.409 32.002 -10.511 1.00 97.35 O +ATOM 2748 CB ALA A 348 9.412 28.746 -10.453 1.00 94.88 C +ATOM 2749 OXT ALA A 348 8.926 31.344 -12.029 1.00 97.15 O +TER 2750 ALA A 348 +HETATM 2751 C ACE B 0 44.730 -8.996 -33.269 1.00 48.90 C +HETATM 2752 O ACE B 0 45.505 -9.527 -32.467 1.00 48.47 O +HETATM 2753 CH3 ACE B 0 43.647 -9.830 -33.937 1.00 48.43 C +ATOM 2754 N MET B 1 44.765 -7.685 -33.605 1.00 49.05 N +ATOM 2755 CA MET B 1 45.712 -6.713 -33.052 1.00 49.12 C +ATOM 2756 C MET B 1 45.459 -6.536 -31.566 1.00 49.55 C +ATOM 2757 O MET B 1 44.313 -6.384 -31.155 1.00 50.13 O +ATOM 2758 CB MET B 1 45.546 -5.379 -33.774 1.00 49.04 C +ATOM 2759 CG MET B 1 45.831 -5.455 -35.273 1.00 49.35 C +ATOM 2760 SD MET B 1 47.511 -6.037 -35.632 1.00 51.45 S +ATOM 2761 CE MET B 1 48.501 -4.605 -35.222 1.00 49.95 C +ATOM 2762 N ASN B 2 46.518 -6.540 -30.763 1.00 49.64 N +ATOM 2763 CA ASN B 2 46.351 -6.416 -29.319 1.00 49.16 C +ATOM 2764 C ASN B 2 45.939 -5.027 -28.889 1.00 48.13 C +ATOM 2765 O ASN B 2 45.072 -4.911 -28.036 1.00 48.67 O +ATOM 2766 CB ASN B 2 47.615 -6.856 -28.604 1.00 50.31 C +ATOM 2767 CG ASN B 2 47.876 -8.311 -28.797 1.00 52.88 C +ATOM 2768 OD1 ASN B 2 47.003 -9.136 -28.565 1.00 53.15 O +ATOM 2769 ND2 ASN B 2 49.080 -8.633 -29.242 1.00 55.62 N +ATOM 2770 N GLY B 3 46.545 -3.985 -29.442 1.00 46.07 N +ATOM 2771 CA GLY B 3 46.143 -2.649 -29.052 1.00 43.80 C +ATOM 2772 C GLY B 3 45.369 -2.044 -30.200 1.00 43.01 C +ATOM 2773 O GLY B 3 45.068 -2.736 -31.161 1.00 42.84 O +ATOM 2774 N THR B 4 45.034 -0.763 -30.101 1.00 41.93 N +ATOM 2775 CA THR B 4 44.330 -0.069 -31.174 1.00 40.62 C +ATOM 2776 C THR B 4 45.116 1.187 -31.482 1.00 41.34 C +ATOM 2777 O THR B 4 45.115 2.112 -30.704 1.00 42.60 O +ATOM 2778 CB THR B 4 42.887 0.322 -30.775 1.00 39.34 C +ATOM 2779 OG1 THR B 4 42.145 -0.845 -30.412 1.00 39.23 O +ATOM 2780 CG2 THR B 4 42.179 0.982 -31.932 1.00 38.47 C +ATOM 2781 N GLU B 5 45.800 1.218 -32.609 1.00 42.39 N +ATOM 2782 CA GLU B 5 46.589 2.384 -32.970 1.00 43.77 C +ATOM 2783 C GLU B 5 45.788 3.381 -33.791 1.00 43.93 C +ATOM 2784 O GLU B 5 44.992 3.009 -34.623 1.00 44.57 O +ATOM 2785 CB GLU B 5 47.825 1.935 -33.749 1.00 45.01 C +ATOM 2786 CG GLU B 5 48.441 2.996 -34.633 1.00 46.99 C +ATOM 2787 CD GLU B 5 49.674 2.487 -35.357 1.00 48.71 C +ATOM 2788 OE1 GLU B 5 49.723 1.264 -35.658 1.00 49.94 O +ATOM 2789 OE2 GLU B 5 50.578 3.314 -35.635 1.00 49.61 O +ATOM 2790 N GLY B 6 46.001 4.657 -33.526 1.00 44.76 N +ATOM 2791 CA GLY B 6 45.329 5.699 -34.272 1.00 44.97 C +ATOM 2792 C GLY B 6 46.483 6.460 -34.871 1.00 45.56 C +ATOM 2793 O GLY B 6 47.630 6.129 -34.609 1.00 45.89 O +ATOM 2794 N PRO B 7 46.234 7.477 -35.686 1.00 46.27 N +ATOM 2795 CA PRO B 7 47.377 8.208 -36.259 1.00 47.46 C +ATOM 2796 C PRO B 7 47.968 9.120 -35.213 1.00 48.41 C +ATOM 2797 O PRO B 7 49.061 9.684 -35.371 1.00 49.15 O +ATOM 2798 CB PRO B 7 46.732 9.003 -37.387 1.00 47.57 C +ATOM 2799 CG PRO B 7 45.359 9.316 -36.811 1.00 47.56 C +ATOM 2800 CD PRO B 7 44.950 7.991 -36.193 1.00 47.05 C +ATOM 2801 N ASN B 8 47.234 9.202 -34.116 1.00 48.78 N +ATOM 2802 CA ASN B 8 47.531 10.092 -33.024 1.00 48.01 C +ATOM 2803 C ASN B 8 47.774 9.399 -31.690 1.00 48.03 C +ATOM 2804 O ASN B 8 48.218 10.070 -30.749 1.00 48.54 O +ATOM 2805 CB ASN B 8 46.319 10.981 -32.870 1.00 48.23 C +ATOM 2806 CG ASN B 8 46.692 12.350 -32.579 1.00 50.78 C +ATOM 2807 OD1 ASN B 8 45.848 13.197 -32.284 1.00 52.60 O +ATOM 2808 ND2 ASN B 8 47.995 12.613 -32.664 1.00 53.52 N +ATOM 2809 N PHE B 9 47.496 8.097 -31.587 1.00 46.66 N +ATOM 2810 CA PHE B 9 47.592 7.407 -30.298 1.00 45.16 C +ATOM 2811 C PHE B 9 47.815 5.921 -30.442 1.00 44.61 C +ATOM 2812 O PHE B 9 48.139 5.424 -31.516 1.00 45.82 O +ATOM 2813 CB PHE B 9 46.269 7.595 -29.544 1.00 44.66 C +ATOM 2814 CG PHE B 9 45.049 7.307 -30.395 1.00 43.88 C +ATOM 2815 CD1 PHE B 9 44.483 8.304 -31.191 1.00 43.58 C +ATOM 2816 CD2 PHE B 9 44.523 6.019 -30.473 1.00 43.73 C +ATOM 2817 CE1 PHE B 9 43.427 8.023 -32.049 1.00 42.27 C +ATOM 2818 CE2 PHE B 9 43.461 5.726 -31.334 1.00 42.24 C +ATOM 2819 CZ PHE B 9 42.916 6.734 -32.124 1.00 42.60 C +ATOM 2820 N TYR B 10 47.628 5.225 -29.323 1.00 42.90 N +ATOM 2821 CA TYR B 10 47.722 3.780 -29.251 1.00 40.77 C +ATOM 2822 C TYR B 10 47.003 3.349 -27.979 1.00 40.14 C +ATOM 2823 O TYR B 10 47.563 3.431 -26.900 1.00 39.21 O +ATOM 2824 CB TYR B 10 49.185 3.308 -29.237 1.00 40.35 C +ATOM 2825 CG TYR B 10 49.331 1.791 -29.282 1.00 40.50 C +ATOM 2826 CD1 TYR B 10 49.329 1.101 -30.487 1.00 40.10 C +ATOM 2827 CD2 TYR B 10 49.408 1.045 -28.109 1.00 39.85 C +ATOM 2828 CE1 TYR B 10 49.395 -0.307 -30.517 1.00 40.37 C +ATOM 2829 CE2 TYR B 10 49.471 -0.350 -28.133 1.00 40.07 C +ATOM 2830 CZ TYR B 10 49.463 -1.027 -29.337 1.00 40.23 C +ATOM 2831 OH TYR B 10 49.512 -2.413 -29.345 1.00 41.12 O +ATOM 2832 N VAL B 11 45.748 2.931 -28.106 1.00 39.61 N +ATOM 2833 CA VAL B 11 44.980 2.475 -26.954 1.00 38.64 C +ATOM 2834 C VAL B 11 45.362 1.013 -26.663 1.00 39.19 C +ATOM 2835 O VAL B 11 45.189 0.159 -27.525 1.00 39.30 O +ATOM 2836 CB VAL B 11 43.434 2.590 -27.216 1.00 37.96 C +ATOM 2837 CG1 VAL B 11 42.649 2.247 -25.955 1.00 36.57 C +ATOM 2838 CG2 VAL B 11 43.082 3.998 -27.653 1.00 36.75 C +ATOM 2839 N PRO B 12 45.909 0.722 -25.458 1.00 39.49 N +ATOM 2840 CA PRO B 12 46.301 -0.640 -25.090 1.00 38.85 C +ATOM 2841 C PRO B 12 45.042 -1.424 -24.825 1.00 38.88 C +ATOM 2842 O PRO B 12 44.899 -2.021 -23.767 1.00 37.90 O +ATOM 2843 CB PRO B 12 47.120 -0.426 -23.831 1.00 38.40 C +ATOM 2844 CG PRO B 12 46.359 0.663 -23.162 1.00 39.06 C +ATOM 2845 CD PRO B 12 46.094 1.629 -24.309 1.00 38.83 C +ATOM 2846 N PHE B 13 44.130 -1.385 -25.797 1.00 39.62 N +ATOM 2847 CA PHE B 13 42.852 -2.084 -25.739 1.00 40.01 C +ATOM 2848 C PHE B 13 42.453 -2.512 -27.159 1.00 41.25 C +ATOM 2849 O PHE B 13 42.614 -1.733 -28.095 1.00 41.71 O +ATOM 2850 CB PHE B 13 41.787 -1.165 -25.153 1.00 39.08 C +ATOM 2851 CG PHE B 13 40.599 -1.896 -24.639 1.00 38.35 C +ATOM 2852 CD1 PHE B 13 40.638 -2.513 -23.395 1.00 37.86 C +ATOM 2853 CD2 PHE B 13 39.448 -2.001 -25.408 1.00 38.68 C +ATOM 2854 CE1 PHE B 13 39.546 -3.226 -22.921 1.00 37.53 C +ATOM 2855 CE2 PHE B 13 38.349 -2.711 -24.945 1.00 38.65 C +ATOM 2856 CZ PHE B 13 38.399 -3.325 -23.695 1.00 37.89 C +ATOM 2857 N SER B 14 41.937 -3.732 -27.318 1.00 42.40 N +ATOM 2858 CA SER B 14 41.551 -4.239 -28.637 1.00 43.39 C +ATOM 2859 C SER B 14 40.238 -3.677 -29.083 1.00 44.66 C +ATOM 2860 O SER B 14 39.319 -3.513 -28.271 1.00 45.13 O +ATOM 2861 CB SER B 14 41.440 -5.755 -28.623 1.00 43.36 C +ATOM 2862 OG SER B 14 40.789 -6.211 -29.791 1.00 45.23 O +ATOM 2863 N ASN B 15 40.134 -3.397 -30.378 1.00 45.81 N +ATOM 2864 CA ASN B 15 38.901 -2.862 -30.902 1.00 47.21 C +ATOM 2865 C ASN B 15 38.100 -3.949 -31.551 1.00 47.99 C +ATOM 2866 O ASN B 15 37.330 -3.679 -32.483 1.00 48.39 O +ATOM 2867 CB ASN B 15 39.156 -1.744 -31.899 1.00 47.39 C +ATOM 2868 CG ASN B 15 37.972 -0.808 -32.004 1.00 48.61 C +ATOM 2869 OD1 ASN B 15 37.195 -0.682 -31.063 1.00 47.72 O +ATOM 2870 ND2 ASN B 15 37.818 -0.129 -33.126 1.00 50.07 N +ATOM 2871 N LYS B 16 38.273 -5.176 -31.057 1.00 48.58 N +ATOM 2872 CA LYS B 16 37.541 -6.331 -31.572 1.00 49.31 C +ATOM 2873 C LYS B 16 36.061 -6.057 -31.447 1.00 48.29 C +ATOM 2874 O LYS B 16 35.282 -6.370 -32.359 1.00 48.62 O +ATOM 2875 CB LYS B 16 37.886 -7.602 -30.773 1.00 52.09 C +ATOM 2876 CG LYS B 16 37.163 -8.852 -31.303 1.00 56.52 C +ATOM 2877 CD LYS B 16 37.707 -10.170 -30.744 1.00 59.62 C +ATOM 2878 CE LYS B 16 37.041 -11.376 -31.447 1.00 60.90 C +ATOM 2879 NZ LYS B 16 37.572 -12.709 -30.998 1.00 62.11 N +ATOM 2880 N THR B 17 35.684 -5.461 -30.318 1.00 47.47 N +ATOM 2881 CA THR B 17 34.295 -5.135 -30.025 1.00 46.13 C +ATOM 2882 C THR B 17 33.904 -3.772 -30.580 1.00 46.17 C +ATOM 2883 O THR B 17 32.765 -3.383 -30.414 1.00 46.15 O +ATOM 2884 CB THR B 17 34.058 -5.160 -28.500 1.00 45.84 C +ATOM 2885 OG1 THR B 17 34.778 -4.091 -27.881 1.00 46.53 O +ATOM 2886 CG2 THR B 17 34.589 -6.455 -27.913 1.00 44.55 C +ATOM 2887 N GLY B 18 34.832 -3.061 -31.227 1.00 46.65 N +ATOM 2888 CA GLY B 18 34.538 -1.742 -31.787 1.00 47.08 C +ATOM 2889 C GLY B 18 34.239 -0.624 -30.783 1.00 47.25 C +ATOM 2890 O GLY B 18 33.796 0.467 -31.146 1.00 47.18 O +ATOM 2891 N VAL B 19 34.534 -0.886 -29.518 1.00 47.62 N +ATOM 2892 CA VAL B 19 34.265 0.047 -28.435 1.00 47.26 C +ATOM 2893 C VAL B 19 35.420 1.062 -28.185 1.00 47.15 C +ATOM 2894 O VAL B 19 35.251 1.986 -27.390 1.00 48.28 O +ATOM 2895 CB VAL B 19 33.946 -0.774 -27.143 1.00 47.32 C +ATOM 2896 CG1 VAL B 19 35.242 -1.232 -26.453 1.00 47.41 C +ATOM 2897 CG2 VAL B 19 33.070 0.022 -26.227 1.00 48.04 C +ATOM 2898 N VAL B 20 36.558 0.915 -28.848 1.00 46.33 N +ATOM 2899 CA VAL B 20 37.665 1.835 -28.618 1.00 46.16 C +ATOM 2900 C VAL B 20 37.430 3.148 -29.351 1.00 47.56 C +ATOM 2901 O VAL B 20 36.876 3.135 -30.450 1.00 49.46 O +ATOM 2902 CB VAL B 20 39.007 1.205 -29.084 1.00 44.89 C +ATOM 2903 CG1 VAL B 20 40.168 2.149 -28.822 1.00 44.44 C +ATOM 2904 CG2 VAL B 20 39.235 -0.095 -28.353 1.00 44.89 C +ATOM 2905 N ARG B 21 37.832 4.272 -28.747 1.00 47.61 N +ATOM 2906 CA ARG B 21 37.682 5.593 -29.369 1.00 47.90 C +ATOM 2907 C ARG B 21 38.786 6.529 -28.928 1.00 46.54 C +ATOM 2908 O ARG B 21 39.209 6.456 -27.796 1.00 47.04 O +ATOM 2909 CB ARG B 21 36.301 6.148 -29.062 1.00 50.65 C +ATOM 2910 CG ARG B 21 35.247 5.331 -29.803 1.00 55.89 C +ATOM 2911 CD ARG B 21 33.868 5.829 -29.576 1.00 61.47 C +ATOM 2912 NE ARG B 21 33.655 7.124 -30.219 1.00 66.90 N +ATOM 2913 CZ ARG B 21 32.672 7.965 -29.885 1.00 69.36 C +ATOM 2914 NH1 ARG B 21 31.819 7.642 -28.910 1.00 70.35 N +ATOM 2915 NH2 ARG B 21 32.525 9.126 -30.524 1.00 70.87 N +ATOM 2916 N SER B 22 39.247 7.401 -29.822 1.00 45.33 N +ATOM 2917 CA SER B 22 40.367 8.330 -29.565 1.00 44.76 C +ATOM 2918 C SER B 22 40.396 8.912 -28.156 1.00 44.56 C +ATOM 2919 O SER B 22 39.376 9.418 -27.683 1.00 45.34 O +ATOM 2920 CB SER B 22 40.347 9.482 -30.576 1.00 44.39 C +ATOM 2921 OG SER B 22 41.476 10.327 -30.428 1.00 45.32 O +ATOM 2922 N PRO B 23 41.561 8.859 -27.466 1.00 43.81 N +ATOM 2923 CA PRO B 23 41.617 9.424 -26.107 1.00 42.69 C +ATOM 2924 C PRO B 23 41.545 10.940 -26.210 1.00 42.80 C +ATOM 2925 O PRO B 23 41.570 11.652 -25.196 1.00 43.58 O +ATOM 2926 CB PRO B 23 42.954 8.921 -25.572 1.00 41.96 C +ATOM 2927 CG PRO B 23 43.785 8.827 -26.811 1.00 42.07 C +ATOM 2928 CD PRO B 23 42.846 8.233 -27.831 1.00 42.30 C +ATOM 2929 N PHE B 24 41.442 11.418 -27.449 1.00 42.16 N +ATOM 2930 CA PHE B 24 41.347 12.836 -27.752 1.00 41.50 C +ATOM 2931 C PHE B 24 39.917 13.220 -28.079 1.00 41.99 C +ATOM 2932 O PHE B 24 39.629 14.392 -28.202 1.00 42.69 O +ATOM 2933 CB PHE B 24 42.232 13.181 -28.952 1.00 40.68 C +ATOM 2934 CG PHE B 24 43.700 13.109 -28.666 1.00 41.17 C +ATOM 2935 CD1 PHE B 24 44.243 13.790 -27.571 1.00 40.93 C +ATOM 2936 CD2 PHE B 24 44.545 12.342 -29.467 1.00 41.77 C +ATOM 2937 CE1 PHE B 24 45.611 13.705 -27.272 1.00 40.55 C +ATOM 2938 CE2 PHE B 24 45.921 12.249 -29.177 1.00 41.74 C +ATOM 2939 CZ PHE B 24 46.450 12.934 -28.074 1.00 40.75 C +ATOM 2940 N GLU B 25 39.016 12.257 -28.195 1.00 42.22 N +ATOM 2941 CA GLU B 25 37.653 12.593 -28.576 1.00 43.24 C +ATOM 2942 C GLU B 25 36.594 12.042 -27.667 1.00 42.62 C +ATOM 2943 O GLU B 25 35.450 12.418 -27.821 1.00 43.23 O +ATOM 2944 CB GLU B 25 37.387 12.086 -29.998 1.00 45.27 C +ATOM 2945 CG GLU B 25 38.188 12.797 -31.089 1.00 49.65 C +ATOM 2946 CD GLU B 25 38.182 12.072 -32.449 1.00 52.01 C +ATOM 2947 OE1 GLU B 25 37.091 11.829 -33.031 1.00 52.36 O +ATOM 2948 OE2 GLU B 25 39.296 11.756 -32.944 1.00 53.31 O +ATOM 2949 N ALA B 26 36.919 11.162 -26.739 1.00 41.69 N +ATOM 2950 CA ALA B 26 35.850 10.640 -25.911 1.00 41.37 C +ATOM 2951 C ALA B 26 36.392 9.820 -24.767 1.00 41.61 C +ATOM 2952 O ALA B 26 37.473 9.250 -24.874 1.00 42.31 O +ATOM 2953 CB ALA B 26 34.919 9.804 -26.770 1.00 39.56 C +ATOM 2954 N PRO B 27 35.642 9.744 -23.653 1.00 41.38 N +ATOM 2955 CA PRO B 27 36.005 8.996 -22.443 1.00 41.23 C +ATOM 2956 C PRO B 27 36.517 7.582 -22.697 1.00 40.85 C +ATOM 2957 O PRO B 27 36.071 6.925 -23.639 1.00 40.77 O +ATOM 2958 CB PRO B 27 34.711 9.014 -21.636 1.00 40.89 C +ATOM 2959 CG PRO B 27 34.145 10.309 -21.987 1.00 41.59 C +ATOM 2960 CD PRO B 27 34.337 10.396 -23.478 1.00 41.35 C +ATOM 2961 N GLN B 28 37.429 7.123 -21.841 1.00 40.17 N +ATOM 2962 CA GLN B 28 38.027 5.797 -21.960 1.00 40.21 C +ATOM 2963 C GLN B 28 37.519 4.909 -20.863 1.00 41.04 C +ATOM 2964 O GLN B 28 38.254 4.034 -20.393 1.00 40.68 O +ATOM 2965 CB GLN B 28 39.535 5.922 -21.845 1.00 39.59 C +ATOM 2966 CG GLN B 28 40.088 6.914 -22.815 1.00 39.46 C +ATOM 2967 CD GLN B 28 39.907 6.453 -24.238 1.00 40.14 C +ATOM 2968 OE1 GLN B 28 40.504 5.464 -24.653 1.00 40.90 O +ATOM 2969 NE2 GLN B 28 39.074 7.158 -24.994 1.00 40.38 N +ATOM 2970 N TYR B 29 36.268 5.127 -20.471 1.00 41.90 N +ATOM 2971 CA TYR B 29 35.651 4.376 -19.384 1.00 42.94 C +ATOM 2972 C TYR B 29 35.536 2.921 -19.710 1.00 42.99 C +ATOM 2973 O TYR B 29 35.347 2.115 -18.811 1.00 43.67 O +ATOM 2974 CB TYR B 29 34.284 4.983 -19.030 1.00 43.59 C +ATOM 2975 CG TYR B 29 34.412 6.394 -18.471 1.00 44.98 C +ATOM 2976 CD1 TYR B 29 35.405 6.700 -17.534 1.00 46.71 C +ATOM 2977 CD2 TYR B 29 33.578 7.430 -18.891 1.00 45.23 C +ATOM 2978 CE1 TYR B 29 35.572 8.012 -17.028 1.00 47.56 C +ATOM 2979 CE2 TYR B 29 33.738 8.750 -18.388 1.00 46.21 C +ATOM 2980 CZ TYR B 29 34.740 9.028 -17.459 1.00 46.96 C +ATOM 2981 OH TYR B 29 34.944 10.309 -16.970 1.00 48.27 O +ATOM 2982 N TYR B 30 35.669 2.577 -20.982 1.00 42.61 N +ATOM 2983 CA TYR B 30 35.598 1.184 -21.394 1.00 42.30 C +ATOM 2984 C TYR B 30 36.966 0.520 -21.186 1.00 42.97 C +ATOM 2985 O TYR B 30 37.133 -0.635 -21.532 1.00 43.25 O +ATOM 2986 CB TYR B 30 35.181 1.119 -22.860 1.00 41.22 C +ATOM 2987 CG TYR B 30 36.173 1.788 -23.767 1.00 39.66 C +ATOM 2988 CD1 TYR B 30 37.324 1.125 -24.160 1.00 39.92 C +ATOM 2989 CD2 TYR B 30 36.011 3.115 -24.150 1.00 39.34 C +ATOM 2990 CE1 TYR B 30 38.282 1.755 -24.893 1.00 39.75 C +ATOM 2991 CE2 TYR B 30 36.971 3.758 -24.889 1.00 38.31 C +ATOM 2992 CZ TYR B 30 38.103 3.070 -25.249 1.00 39.90 C +ATOM 2993 OH TYR B 30 39.102 3.687 -25.943 1.00 42.94 O +ATOM 2994 N LEU B 31 37.927 1.262 -20.635 1.00 43.60 N +ATOM 2995 CA LEU B 31 39.275 0.763 -20.348 1.00 43.43 C +ATOM 2996 C LEU B 31 39.352 0.402 -18.897 1.00 43.94 C +ATOM 2997 O LEU B 31 40.087 -0.496 -18.503 1.00 43.85 O +ATOM 2998 CB LEU B 31 40.314 1.851 -20.564 1.00 42.47 C +ATOM 2999 CG LEU B 31 40.696 2.241 -21.965 1.00 41.56 C +ATOM 3000 CD1 LEU B 31 41.856 3.182 -21.872 1.00 42.78 C +ATOM 3001 CD2 LEU B 31 41.081 1.009 -22.745 1.00 43.53 C +ATOM 3002 N ALA B 32 38.612 1.154 -18.097 1.00 45.41 N +ATOM 3003 CA ALA B 32 38.586 0.965 -16.665 1.00 47.41 C +ATOM 3004 C ALA B 32 37.346 1.629 -16.116 1.00 49.15 C +ATOM 3005 O ALA B 32 36.728 2.477 -16.780 1.00 49.67 O +ATOM 3006 CB ALA B 32 39.837 1.586 -16.034 1.00 47.59 C +ATOM 3007 N GLU B 33 36.994 1.254 -14.895 1.00 50.75 N +ATOM 3008 CA GLU B 33 35.819 1.780 -14.216 1.00 51.75 C +ATOM 3009 C GLU B 33 35.900 3.285 -14.049 1.00 51.01 C +ATOM 3010 O GLU B 33 36.960 3.819 -13.787 1.00 51.25 O +ATOM 3011 CB GLU B 33 35.704 1.149 -12.829 1.00 54.97 C +ATOM 3012 CG GLU B 33 35.954 -0.352 -12.786 1.00 60.12 C +ATOM 3013 CD GLU B 33 35.006 -1.129 -13.684 1.00 62.67 C +ATOM 3014 OE1 GLU B 33 33.775 -1.002 -13.494 1.00 64.69 O +ATOM 3015 OE2 GLU B 33 35.495 -1.865 -14.577 1.00 64.44 O +ATOM 3016 N PRO B 34 34.768 3.984 -14.195 1.00 50.18 N +ATOM 3017 CA PRO B 34 34.717 5.434 -14.043 1.00 49.27 C +ATOM 3018 C PRO B 34 35.178 5.904 -12.664 1.00 49.18 C +ATOM 3019 O PRO B 34 35.717 7.009 -12.526 1.00 50.19 O +ATOM 3020 CB PRO B 34 33.246 5.735 -14.297 1.00 48.50 C +ATOM 3021 CG PRO B 34 32.915 4.767 -15.370 1.00 47.82 C +ATOM 3022 CD PRO B 34 33.540 3.496 -14.846 1.00 49.74 C +ATOM 3023 N TRP B 35 34.970 5.083 -11.643 1.00 48.13 N +ATOM 3024 CA TRP B 35 35.372 5.486 -10.307 1.00 47.13 C +ATOM 3025 C TRP B 35 36.863 5.496 -10.227 1.00 46.28 C +ATOM 3026 O TRP B 35 37.435 6.212 -9.416 1.00 45.90 O +ATOM 3027 CB TRP B 35 34.806 4.536 -9.262 1.00 46.77 C +ATOM 3028 CG TRP B 35 35.382 3.189 -9.311 1.00 47.56 C +ATOM 3029 CD1 TRP B 35 34.865 2.098 -9.941 1.00 47.07 C +ATOM 3030 CD2 TRP B 35 36.604 2.764 -8.702 1.00 48.37 C +ATOM 3031 NE1 TRP B 35 35.690 1.010 -9.763 1.00 47.22 N +ATOM 3032 CE2 TRP B 35 36.766 1.392 -9.005 1.00 48.31 C +ATOM 3033 CE3 TRP B 35 37.581 3.408 -7.930 1.00 49.80 C +ATOM 3034 CZ2 TRP B 35 37.867 0.654 -8.562 1.00 48.78 C +ATOM 3035 CZ3 TRP B 35 38.681 2.671 -7.488 1.00 50.30 C +ATOM 3036 CH2 TRP B 35 38.812 1.310 -7.808 1.00 49.50 C +ATOM 3037 N GLN B 36 37.488 4.698 -11.079 1.00 45.73 N +ATOM 3038 CA GLN B 36 38.938 4.606 -11.111 1.00 46.18 C +ATOM 3039 C GLN B 36 39.529 5.865 -11.693 1.00 45.94 C +ATOM 3040 O GLN B 36 40.677 6.173 -11.425 1.00 45.07 O +ATOM 3041 CB GLN B 36 39.371 3.396 -11.932 1.00 46.68 C +ATOM 3042 CG GLN B 36 38.973 2.086 -11.314 1.00 48.54 C +ATOM 3043 CD GLN B 36 39.405 0.922 -12.148 1.00 49.84 C +ATOM 3044 OE1 GLN B 36 38.914 0.725 -13.258 1.00 50.56 O +ATOM 3045 NE2 GLN B 36 40.345 0.138 -11.626 1.00 51.26 N +ATOM 3046 N PHE B 37 38.764 6.587 -12.505 1.00 46.09 N +ATOM 3047 CA PHE B 37 39.277 7.832 -13.057 1.00 45.29 C +ATOM 3048 C PHE B 37 39.115 8.899 -12.009 1.00 45.18 C +ATOM 3049 O PHE B 37 39.932 9.821 -11.943 1.00 45.65 O +ATOM 3050 CB PHE B 37 38.531 8.228 -14.329 1.00 45.53 C +ATOM 3051 CG PHE B 37 38.842 7.354 -15.497 1.00 44.33 C +ATOM 3052 CD1 PHE B 37 38.246 6.113 -15.629 1.00 45.71 C +ATOM 3053 CD2 PHE B 37 39.747 7.766 -16.455 1.00 43.91 C +ATOM 3054 CE1 PHE B 37 38.548 5.296 -16.704 1.00 46.30 C +ATOM 3055 CE2 PHE B 37 40.058 6.967 -17.530 1.00 44.31 C +ATOM 3056 CZ PHE B 37 39.462 5.732 -17.662 1.00 45.43 C +ATOM 3057 N SER B 38 38.065 8.774 -11.195 1.00 44.72 N +ATOM 3058 CA SER B 38 37.825 9.731 -10.124 1.00 44.20 C +ATOM 3059 C SER B 38 38.928 9.529 -9.108 1.00 43.71 C +ATOM 3060 O SER B 38 39.354 10.457 -8.428 1.00 42.68 O +ATOM 3061 CB SER B 38 36.439 9.500 -9.507 1.00 44.58 C +ATOM 3062 OG SER B 38 35.529 10.487 -9.969 1.00 44.50 O +ATOM 3063 N MET B 39 39.409 8.299 -9.043 1.00 43.23 N +ATOM 3064 CA MET B 39 40.486 7.946 -8.149 1.00 42.90 C +ATOM 3065 C MET B 39 41.765 8.683 -8.587 1.00 42.74 C +ATOM 3066 O MET B 39 42.388 9.371 -7.766 1.00 43.15 O +ATOM 3067 CB MET B 39 40.690 6.444 -8.226 1.00 45.14 C +ATOM 3068 CG MET B 39 41.014 5.814 -6.925 1.00 48.64 C +ATOM 3069 SD MET B 39 39.751 6.262 -5.751 1.00 53.86 S +ATOM 3070 CE MET B 39 40.574 7.645 -4.838 1.00 51.94 C +ATOM 3071 N LEU B 40 42.146 8.541 -9.867 1.00 41.59 N +ATOM 3072 CA LEU B 40 43.350 9.177 -10.445 1.00 39.36 C +ATOM 3073 C LEU B 40 43.265 10.667 -10.282 1.00 39.34 C +ATOM 3074 O LEU B 40 44.268 11.314 -9.974 1.00 38.65 O +ATOM 3075 CB LEU B 40 43.488 8.850 -11.937 1.00 37.38 C +ATOM 3076 CG LEU B 40 43.889 7.431 -12.345 1.00 36.34 C +ATOM 3077 CD1 LEU B 40 43.981 7.341 -13.848 1.00 36.54 C +ATOM 3078 CD2 LEU B 40 45.212 7.061 -11.733 1.00 35.06 C +ATOM 3079 N ALA B 41 42.064 11.195 -10.498 1.00 39.36 N +ATOM 3080 CA ALA B 41 41.783 12.617 -10.367 1.00 40.25 C +ATOM 3081 C ALA B 41 42.011 13.088 -8.902 1.00 41.35 C +ATOM 3082 O ALA B 41 42.570 14.180 -8.696 1.00 41.99 O +ATOM 3083 CB ALA B 41 40.336 12.888 -10.814 1.00 39.21 C +ATOM 3084 N ALA B 42 41.587 12.294 -7.908 1.00 41.08 N +ATOM 3085 CA ALA B 42 41.764 12.651 -6.496 1.00 40.37 C +ATOM 3086 C ALA B 42 43.238 12.744 -6.187 1.00 40.64 C +ATOM 3087 O ALA B 42 43.673 13.675 -5.526 1.00 40.61 O +ATOM 3088 CB ALA B 42 41.125 11.605 -5.601 1.00 39.91 C +ATOM 3089 N TYR B 43 43.994 11.766 -6.672 1.00 40.15 N +ATOM 3090 CA TYR B 43 45.432 11.677 -6.473 1.00 38.96 C +ATOM 3091 C TYR B 43 46.157 12.917 -6.989 1.00 39.07 C +ATOM 3092 O TYR B 43 47.014 13.462 -6.291 1.00 38.59 O +ATOM 3093 CB TYR B 43 45.921 10.445 -7.205 1.00 39.06 C +ATOM 3094 CG TYR B 43 47.406 10.294 -7.288 1.00 38.36 C +ATOM 3095 CD1 TYR B 43 48.155 9.981 -6.164 1.00 38.81 C +ATOM 3096 CD2 TYR B 43 48.056 10.379 -8.513 1.00 38.71 C +ATOM 3097 CE1 TYR B 43 49.516 9.740 -6.261 1.00 39.17 C +ATOM 3098 CE2 TYR B 43 49.415 10.142 -8.626 1.00 37.73 C +ATOM 3099 CZ TYR B 43 50.137 9.816 -7.500 1.00 38.73 C +ATOM 3100 OH TYR B 43 51.469 9.516 -7.614 1.00 40.04 O +ATOM 3101 N MET B 44 45.824 13.346 -8.203 1.00 39.05 N +ATOM 3102 CA MET B 44 46.449 14.517 -8.820 1.00 39.67 C +ATOM 3103 C MET B 44 46.070 15.790 -8.094 1.00 40.87 C +ATOM 3104 O MET B 44 46.892 16.715 -7.994 1.00 41.35 O +ATOM 3105 CB MET B 44 46.048 14.634 -10.289 1.00 37.71 C +ATOM 3106 CG MET B 44 46.535 13.491 -11.151 1.00 36.84 C +ATOM 3107 SD MET B 44 48.292 13.245 -10.978 1.00 37.28 S +ATOM 3108 CE MET B 44 48.931 14.860 -11.464 1.00 35.45 C +ATOM 3109 N PHE B 45 44.833 15.858 -7.618 1.00 41.35 N +ATOM 3110 CA PHE B 45 44.388 17.018 -6.880 1.00 42.04 C +ATOM 3111 C PHE B 45 45.276 17.170 -5.655 1.00 42.39 C +ATOM 3112 O PHE B 45 45.757 18.265 -5.365 1.00 42.19 O +ATOM 3113 CB PHE B 45 42.949 16.828 -6.448 1.00 41.96 C +ATOM 3114 CG PHE B 45 42.478 17.870 -5.500 1.00 42.20 C +ATOM 3115 CD1 PHE B 45 42.369 19.195 -5.909 1.00 41.39 C +ATOM 3116 CD2 PHE B 45 42.130 17.531 -4.194 1.00 42.56 C +ATOM 3117 CE1 PHE B 45 41.914 20.178 -5.029 1.00 42.73 C +ATOM 3118 CE2 PHE B 45 41.671 18.504 -3.304 1.00 43.64 C +ATOM 3119 CZ PHE B 45 41.561 19.835 -3.723 1.00 43.10 C +ATOM 3120 N LEU B 46 45.483 16.065 -4.942 1.00 42.91 N +ATOM 3121 CA LEU B 46 46.333 16.057 -3.756 1.00 42.77 C +ATOM 3122 C LEU B 46 47.732 16.488 -4.151 1.00 43.04 C +ATOM 3123 O LEU B 46 48.341 17.321 -3.460 1.00 43.09 O +ATOM 3124 CB LEU B 46 46.390 14.659 -3.133 1.00 41.11 C +ATOM 3125 CG LEU B 46 45.116 14.202 -2.433 1.00 41.45 C +ATOM 3126 CD1 LEU B 46 45.346 12.847 -1.813 1.00 42.19 C +ATOM 3127 CD2 LEU B 46 44.720 15.201 -1.375 1.00 41.16 C +ATOM 3128 N LEU B 47 48.239 15.937 -5.255 1.00 43.23 N +ATOM 3129 CA LEU B 47 49.576 16.277 -5.724 1.00 42.81 C +ATOM 3130 C LEU B 47 49.696 17.774 -5.983 1.00 43.15 C +ATOM 3131 O LEU B 47 50.726 18.367 -5.657 1.00 43.54 O +ATOM 3132 CB LEU B 47 49.918 15.481 -6.985 1.00 42.06 C +ATOM 3133 CG LEU B 47 50.426 14.060 -6.732 1.00 41.99 C +ATOM 3134 CD1 LEU B 47 50.854 13.418 -8.031 1.00 42.68 C +ATOM 3135 CD2 LEU B 47 51.610 14.101 -5.801 1.00 42.60 C +ATOM 3136 N ILE B 48 48.652 18.380 -6.541 1.00 42.93 N +ATOM 3137 CA ILE B 48 48.662 19.802 -6.817 1.00 42.98 C +ATOM 3138 C ILE B 48 48.563 20.610 -5.538 1.00 43.81 C +ATOM 3139 O ILE B 48 49.254 21.611 -5.426 1.00 43.68 O +ATOM 3140 CB ILE B 48 47.507 20.184 -7.746 1.00 42.89 C +ATOM 3141 CG1 ILE B 48 47.731 19.550 -9.113 1.00 42.89 C +ATOM 3142 CG2 ILE B 48 47.407 21.688 -7.879 1.00 42.38 C +ATOM 3143 CD1 ILE B 48 46.575 19.755 -10.039 1.00 43.72 C +ATOM 3144 N MET B 49 47.739 20.186 -4.578 1.00 44.57 N +ATOM 3145 CA MET B 49 47.563 20.941 -3.326 1.00 45.31 C +ATOM 3146 C MET B 49 48.722 20.775 -2.339 1.00 45.70 C +ATOM 3147 O MET B 49 48.780 21.489 -1.326 1.00 45.63 O +ATOM 3148 CB MET B 49 46.235 20.567 -2.652 1.00 46.29 C +ATOM 3149 CG MET B 49 45.005 21.068 -3.396 1.00 46.58 C +ATOM 3150 SD MET B 49 44.994 22.855 -3.716 1.00 48.47 S +ATOM 3151 CE MET B 49 44.149 23.469 -2.284 1.00 46.13 C +ATOM 3152 N LEU B 50 49.632 19.850 -2.609 1.00 46.74 N +ATOM 3153 CA LEU B 50 50.774 19.678 -1.729 1.00 47.55 C +ATOM 3154 C LEU B 50 51.995 20.199 -2.437 1.00 47.95 C +ATOM 3155 O LEU B 50 52.706 21.047 -1.908 1.00 48.47 O +ATOM 3156 CB LEU B 50 50.982 18.210 -1.384 1.00 49.71 C +ATOM 3157 CG LEU B 50 51.615 17.931 -0.008 1.00 52.05 C +ATOM 3158 CD1 LEU B 50 51.983 16.468 0.039 1.00 52.66 C +ATOM 3159 CD2 LEU B 50 52.859 18.796 0.253 1.00 51.95 C +ATOM 3160 N GLY B 51 52.234 19.693 -3.640 1.00 47.64 N +ATOM 3161 CA GLY B 51 53.382 20.124 -4.409 1.00 47.32 C +ATOM 3162 C GLY B 51 53.490 21.622 -4.616 1.00 47.06 C +ATOM 3163 O GLY B 51 54.579 22.148 -4.838 1.00 46.60 O +ATOM 3164 N PHE B 52 52.369 22.324 -4.549 1.00 47.03 N +ATOM 3165 CA PHE B 52 52.417 23.761 -4.741 1.00 48.84 C +ATOM 3166 C PHE B 52 52.917 24.471 -3.481 1.00 49.34 C +ATOM 3167 O PHE B 52 53.964 25.112 -3.525 1.00 50.29 O +ATOM 3168 CB PHE B 52 51.044 24.288 -5.172 1.00 49.77 C +ATOM 3169 CG PHE B 52 50.901 25.767 -5.029 1.00 51.70 C +ATOM 3170 CD1 PHE B 52 51.949 26.618 -5.393 1.00 53.06 C +ATOM 3171 CD2 PHE B 52 49.732 26.318 -4.502 1.00 52.60 C +ATOM 3172 CE1 PHE B 52 51.841 28.003 -5.227 1.00 54.03 C +ATOM 3173 CE2 PHE B 52 49.603 27.696 -4.330 1.00 53.72 C +ATOM 3174 CZ PHE B 52 50.663 28.544 -4.691 1.00 53.80 C +ATOM 3175 N PRO B 53 52.199 24.368 -2.350 1.00 49.21 N +ATOM 3176 CA PRO B 53 52.738 25.072 -1.190 1.00 48.96 C +ATOM 3177 C PRO B 53 54.140 24.670 -0.838 1.00 49.14 C +ATOM 3178 O PRO B 53 54.945 25.519 -0.485 1.00 49.56 O +ATOM 3179 CB PRO B 53 51.743 24.726 -0.084 1.00 48.46 C +ATOM 3180 CG PRO B 53 51.215 23.414 -0.499 1.00 48.91 C +ATOM 3181 CD PRO B 53 51.007 23.594 -1.974 1.00 48.96 C +ATOM 3182 N ILE B 54 54.448 23.391 -0.987 1.00 49.23 N +ATOM 3183 CA ILE B 54 55.757 22.868 -0.613 1.00 50.03 C +ATOM 3184 C ILE B 54 56.928 23.299 -1.510 1.00 50.16 C +ATOM 3185 O ILE B 54 58.026 23.421 -1.006 1.00 49.97 O +ATOM 3186 CB ILE B 54 55.715 21.325 -0.519 1.00 50.28 C +ATOM 3187 CG1 ILE B 54 56.746 20.835 0.493 1.00 50.58 C +ATOM 3188 CG2 ILE B 54 56.020 20.711 -1.864 1.00 51.73 C +ATOM 3189 CD1 ILE B 54 56.795 19.328 0.629 1.00 52.30 C +ATOM 3190 N ASN B 55 56.734 23.505 -2.808 1.00 50.66 N +ATOM 3191 CA ASN B 55 57.854 23.917 -3.659 1.00 50.45 C +ATOM 3192 C ASN B 55 57.903 25.410 -3.699 1.00 51.56 C +ATOM 3193 O ASN B 55 58.945 26.001 -3.959 1.00 51.71 O +ATOM 3194 CB ASN B 55 57.695 23.367 -5.073 1.00 49.04 C +ATOM 3195 CG ASN B 55 58.004 21.889 -5.150 1.00 48.76 C +ATOM 3196 OD1 ASN B 55 59.137 21.468 -4.919 1.00 48.50 O +ATOM 3197 ND2 ASN B 55 56.992 21.086 -5.462 1.00 47.72 N +ATOM 3198 N PHE B 56 56.762 26.029 -3.444 1.00 52.45 N +ATOM 3199 CA PHE B 56 56.714 27.465 -3.435 1.00 53.62 C +ATOM 3200 C PHE B 56 57.389 27.943 -2.195 1.00 54.30 C +ATOM 3201 O PHE B 56 58.214 28.842 -2.251 1.00 55.05 O +ATOM 3202 CB PHE B 56 55.291 27.974 -3.407 1.00 54.17 C +ATOM 3203 CG PHE B 56 55.225 29.445 -3.285 1.00 54.98 C +ATOM 3204 CD1 PHE B 56 55.487 30.249 -4.391 1.00 55.75 C +ATOM 3205 CD2 PHE B 56 55.018 30.041 -2.051 1.00 55.86 C +ATOM 3206 CE1 PHE B 56 55.550 31.631 -4.276 1.00 55.96 C +ATOM 3207 CE2 PHE B 56 55.080 31.427 -1.923 1.00 56.21 C +ATOM 3208 CZ PHE B 56 55.349 32.223 -3.043 1.00 56.34 C +ATOM 3209 N LEU B 57 57.005 27.353 -1.068 1.00 54.17 N +ATOM 3210 CA LEU B 57 57.573 27.714 0.213 1.00 54.23 C +ATOM 3211 C LEU B 57 59.060 27.494 0.178 1.00 54.61 C +ATOM 3212 O LEU B 57 59.787 28.269 0.765 1.00 55.37 O +ATOM 3213 CB LEU B 57 56.931 26.892 1.331 1.00 54.20 C +ATOM 3214 CG LEU B 57 57.273 27.218 2.798 1.00 53.76 C +ATOM 3215 CD1 LEU B 57 58.627 26.647 3.139 1.00 53.33 C +ATOM 3216 CD2 LEU B 57 57.229 28.733 3.052 1.00 53.64 C +ATOM 3217 N THR B 58 59.516 26.446 -0.497 1.00 55.23 N +ATOM 3218 CA THR B 58 60.958 26.171 -0.617 1.00 56.12 C +ATOM 3219 C THR B 58 61.610 27.353 -1.329 1.00 57.16 C +ATOM 3220 O THR B 58 62.557 27.968 -0.835 1.00 57.20 O +ATOM 3221 CB THR B 58 61.228 24.913 -1.485 1.00 55.99 C +ATOM 3222 OG1 THR B 58 60.665 23.758 -0.856 1.00 56.23 O +ATOM 3223 CG2 THR B 58 62.722 24.709 -1.691 1.00 55.24 C +ATOM 3224 N LEU B 59 61.084 27.638 -2.512 1.00 58.55 N +ATOM 3225 CA LEU B 59 61.533 28.727 -3.351 1.00 59.47 C +ATOM 3226 C LEU B 59 61.613 30.034 -2.550 1.00 59.66 C +ATOM 3227 O LEU B 59 62.641 30.707 -2.573 1.00 59.82 O +ATOM 3228 CB LEU B 59 60.545 28.839 -4.512 1.00 60.35 C +ATOM 3229 CG LEU B 59 60.359 30.158 -5.238 1.00 61.23 C +ATOM 3230 CD1 LEU B 59 61.696 30.667 -5.709 1.00 62.22 C +ATOM 3231 CD2 LEU B 59 59.420 29.939 -6.408 1.00 61.11 C +ATOM 3232 N TYR B 60 60.546 30.353 -1.826 1.00 59.48 N +ATOM 3233 CA TYR B 60 60.436 31.573 -1.037 1.00 59.22 C +ATOM 3234 C TYR B 60 61.444 31.677 0.109 1.00 59.77 C +ATOM 3235 O TYR B 60 61.977 32.759 0.352 1.00 60.43 O +ATOM 3236 CB TYR B 60 59.020 31.670 -0.497 1.00 58.72 C +ATOM 3237 CG TYR B 60 58.740 32.916 0.277 1.00 58.58 C +ATOM 3238 CD1 TYR B 60 59.324 33.129 1.521 1.00 59.28 C +ATOM 3239 CD2 TYR B 60 57.869 33.874 -0.220 1.00 58.38 C +ATOM 3240 CE1 TYR B 60 59.045 34.261 2.257 1.00 60.45 C +ATOM 3241 CE2 TYR B 60 57.574 35.012 0.501 1.00 60.11 C +ATOM 3242 CZ TYR B 60 58.164 35.206 1.747 1.00 60.89 C +ATOM 3243 OH TYR B 60 57.856 36.335 2.493 1.00 61.41 O +ATOM 3244 N VAL B 61 61.699 30.594 0.829 1.00 60.06 N +ATOM 3245 CA VAL B 61 62.654 30.643 1.945 1.00 59.96 C +ATOM 3246 C VAL B 61 64.049 30.949 1.441 1.00 60.33 C +ATOM 3247 O VAL B 61 64.681 31.875 1.943 1.00 60.77 O +ATOM 3248 CB VAL B 61 62.680 29.298 2.727 1.00 59.73 C +ATOM 3249 CG1 VAL B 61 63.892 29.227 3.660 1.00 58.73 C +ATOM 3250 CG2 VAL B 61 61.394 29.157 3.527 1.00 59.41 C +ATOM 3251 N THR B 62 64.508 30.170 0.458 1.00 60.33 N +ATOM 3252 CA THR B 62 65.838 30.302 -0.146 1.00 59.91 C +ATOM 3253 C THR B 62 66.100 31.718 -0.529 1.00 60.68 C +ATOM 3254 O THR B 62 67.067 32.316 -0.103 1.00 60.45 O +ATOM 3255 CB THR B 62 65.957 29.482 -1.433 1.00 58.66 C +ATOM 3256 OG1 THR B 62 65.457 28.162 -1.211 1.00 58.09 O +ATOM 3257 CG2 THR B 62 67.406 29.397 -1.866 1.00 58.22 C +ATOM 3258 N VAL B 63 65.231 32.239 -1.372 1.00 61.74 N +ATOM 3259 CA VAL B 63 65.348 33.600 -1.835 1.00 62.92 C +ATOM 3260 C VAL B 63 65.381 34.534 -0.649 1.00 64.14 C +ATOM 3261 O VAL B 63 66.231 35.426 -0.585 1.00 64.38 O +ATOM 3262 CB VAL B 63 64.153 33.950 -2.733 1.00 62.57 C +ATOM 3263 CG1 VAL B 63 64.179 35.415 -3.095 1.00 63.06 C +ATOM 3264 CG2 VAL B 63 64.178 33.090 -3.981 1.00 62.13 C +ATOM 3265 N GLN B 64 64.469 34.323 0.293 1.00 65.45 N +ATOM 3266 CA GLN B 64 64.380 35.176 1.468 1.00 66.51 C +ATOM 3267 C GLN B 64 65.614 35.102 2.359 1.00 66.82 C +ATOM 3268 O GLN B 64 66.056 36.127 2.835 1.00 66.86 O +ATOM 3269 CB GLN B 64 63.144 34.823 2.281 1.00 66.35 C +ATOM 3270 CG GLN B 64 63.193 35.418 3.650 1.00 66.74 C +ATOM 3271 CD GLN B 64 61.920 35.212 4.407 1.00 67.24 C +ATOM 3272 OE1 GLN B 64 60.897 35.797 4.080 1.00 67.98 O +ATOM 3273 NE2 GLN B 64 61.970 34.370 5.430 1.00 67.72 N +ATOM 3274 N HIS B 65 66.175 33.918 2.575 1.00 67.73 N +ATOM 3275 CA HIS B 65 67.339 33.792 3.451 1.00 68.43 C +ATOM 3276 C HIS B 65 68.667 33.847 2.721 1.00 68.78 C +ATOM 3277 O HIS B 65 69.145 32.851 2.183 1.00 68.71 O +ATOM 3278 CB HIS B 65 67.200 32.528 4.295 1.00 68.55 C +ATOM 3279 CG HIS B 65 66.081 32.619 5.279 1.00 68.77 C +ATOM 3280 ND1 HIS B 65 66.216 32.257 6.602 1.00 68.99 N +ATOM 3281 CD2 HIS B 65 64.838 33.142 5.156 1.00 68.73 C +ATOM 3282 CE1 HIS B 65 65.105 32.558 7.251 1.00 68.86 C +ATOM 3283 NE2 HIS B 65 64.255 33.098 6.398 1.00 68.80 N +ATOM 3284 N LYS B 66 69.267 35.035 2.772 1.00 69.27 N +ATOM 3285 CA LYS B 66 70.527 35.397 2.120 1.00 69.62 C +ATOM 3286 C LYS B 66 71.682 34.395 2.254 1.00 68.40 C +ATOM 3287 O LYS B 66 72.562 34.429 1.410 1.00 68.31 O +ATOM 3288 CB LYS B 66 70.957 36.779 2.624 1.00 72.46 C +ATOM 3289 CG LYS B 66 72.234 37.337 2.002 1.00 76.01 C +ATOM 3290 CD LYS B 66 72.667 38.637 2.715 1.00 78.35 C +ATOM 3291 CE LYS B 66 74.106 39.030 2.384 1.00 79.37 C +ATOM 3292 NZ LYS B 66 74.509 40.284 3.080 1.00 81.07 N +ATOM 3293 N LYS B 67 71.712 33.524 3.256 1.00 67.58 N +ATOM 3294 CA LYS B 67 72.842 32.585 3.349 1.00 67.57 C +ATOM 3295 C LYS B 67 72.596 31.339 2.543 1.00 66.77 C +ATOM 3296 O LYS B 67 73.550 30.684 2.133 1.00 67.06 O +ATOM 3297 CB LYS B 67 73.115 32.131 4.782 1.00 69.34 C +ATOM 3298 CG LYS B 67 72.228 30.979 5.234 1.00 71.55 C +ATOM 3299 CD LYS B 67 72.682 30.326 6.543 1.00 73.99 C +ATOM 3300 CE LYS B 67 71.730 29.166 6.895 1.00 75.86 C +ATOM 3301 NZ LYS B 67 72.010 28.458 8.182 1.00 77.10 N +ATOM 3302 N LEU B 68 71.334 30.976 2.354 1.00 65.48 N +ATOM 3303 CA LEU B 68 71.014 29.775 1.593 1.00 63.89 C +ATOM 3304 C LEU B 68 71.421 30.013 0.142 1.00 62.73 C +ATOM 3305 O LEU B 68 70.606 30.376 -0.705 1.00 62.24 O +ATOM 3306 CB LEU B 68 69.518 29.467 1.756 1.00 63.86 C +ATOM 3307 CG LEU B 68 69.159 29.284 3.235 1.00 62.79 C +ATOM 3308 CD1 LEU B 68 67.678 29.421 3.447 1.00 62.47 C +ATOM 3309 CD2 LEU B 68 69.667 27.940 3.711 1.00 62.74 C +ATOM 3310 N ARG B 69 72.703 29.822 -0.132 1.00 61.60 N +ATOM 3311 CA ARG B 69 73.207 30.055 -1.464 1.00 61.02 C +ATOM 3312 C ARG B 69 74.337 29.118 -1.776 1.00 61.70 C +ATOM 3313 O ARG B 69 75.179 29.470 -2.577 1.00 62.92 O +ATOM 3314 CB ARG B 69 73.694 31.493 -1.583 1.00 59.82 C +ATOM 3315 CG ARG B 69 72.647 32.550 -1.268 1.00 58.94 C +ATOM 3316 CD ARG B 69 71.851 32.893 -2.501 1.00 58.29 C +ATOM 3317 NE ARG B 69 70.828 33.912 -2.270 1.00 56.88 N +ATOM 3318 CZ ARG B 69 69.810 33.778 -1.427 1.00 56.05 C +ATOM 3319 NH1 ARG B 69 69.679 32.665 -0.719 1.00 55.84 N +ATOM 3320 NH2 ARG B 69 68.909 34.747 -1.315 1.00 55.60 N +ATOM 3321 N THR B 70 74.386 27.949 -1.142 1.00 61.75 N +ATOM 3322 CA THR B 70 75.441 26.980 -1.449 1.00 62.09 C +ATOM 3323 C THR B 70 75.014 26.232 -2.716 1.00 62.45 C +ATOM 3324 O THR B 70 73.895 26.444 -3.184 1.00 62.01 O +ATOM 3325 CB THR B 70 75.651 25.978 -0.285 1.00 62.33 C +ATOM 3326 OG1 THR B 70 74.535 25.078 -0.192 1.00 64.30 O +ATOM 3327 CG2 THR B 70 75.786 26.730 1.022 1.00 62.57 C +ATOM 3328 N PRO B 71 75.880 25.368 -3.295 1.00 63.32 N +ATOM 3329 CA PRO B 71 75.413 24.686 -4.508 1.00 63.49 C +ATOM 3330 C PRO B 71 74.108 23.980 -4.248 1.00 63.24 C +ATOM 3331 O PRO B 71 73.126 24.226 -4.948 1.00 63.18 O +ATOM 3332 CB PRO B 71 76.556 23.720 -4.828 1.00 63.73 C +ATOM 3333 CG PRO B 71 77.758 24.452 -4.327 1.00 64.25 C +ATOM 3334 CD PRO B 71 77.262 24.959 -2.978 1.00 63.91 C +ATOM 3335 N LEU B 72 74.096 23.127 -3.230 1.00 62.97 N +ATOM 3336 CA LEU B 72 72.897 22.389 -2.876 1.00 62.65 C +ATOM 3337 C LEU B 72 71.726 23.338 -2.834 1.00 62.49 C +ATOM 3338 O LEU B 72 70.698 23.030 -3.417 1.00 62.33 O +ATOM 3339 CB LEU B 72 73.072 21.709 -1.518 1.00 62.35 C +ATOM 3340 CG LEU B 72 71.959 20.767 -1.068 1.00 62.41 C +ATOM 3341 CD1 LEU B 72 71.819 19.631 -2.075 1.00 62.74 C +ATOM 3342 CD2 LEU B 72 72.287 20.231 0.321 1.00 61.89 C +ATOM 3343 N ASN B 73 71.877 24.488 -2.174 1.00 62.04 N +ATOM 3344 CA ASN B 73 70.774 25.454 -2.082 1.00 61.75 C +ATOM 3345 C ASN B 73 70.333 25.856 -3.473 1.00 60.82 C +ATOM 3346 O ASN B 73 69.160 26.152 -3.684 1.00 61.03 O +ATOM 3347 CB ASN B 73 71.180 26.722 -1.297 1.00 62.54 C +ATOM 3348 CG ASN B 73 71.649 26.423 0.137 1.00 63.30 C +ATOM 3349 OD1 ASN B 73 71.261 25.426 0.751 1.00 63.07 O +ATOM 3350 ND2 ASN B 73 72.478 27.316 0.678 1.00 64.14 N +ATOM 3351 N TYR B 74 71.273 25.854 -4.414 1.00 59.79 N +ATOM 3352 CA TYR B 74 71.008 26.242 -5.793 1.00 58.81 C +ATOM 3353 C TYR B 74 70.244 25.182 -6.527 1.00 58.18 C +ATOM 3354 O TYR B 74 69.306 25.483 -7.252 1.00 58.91 O +ATOM 3355 CB TYR B 74 72.324 26.527 -6.508 1.00 58.98 C +ATOM 3356 CG TYR B 74 72.743 27.964 -6.366 1.00 59.72 C +ATOM 3357 CD1 TYR B 74 72.231 28.936 -7.219 1.00 59.84 C +ATOM 3358 CD2 TYR B 74 73.591 28.371 -5.337 1.00 59.69 C +ATOM 3359 CE1 TYR B 74 72.545 30.274 -7.059 1.00 59.98 C +ATOM 3360 CE2 TYR B 74 73.912 29.713 -5.165 1.00 60.08 C +ATOM 3361 CZ TYR B 74 73.382 30.661 -6.032 1.00 60.61 C +ATOM 3362 OH TYR B 74 73.675 31.999 -5.877 1.00 61.45 O +ATOM 3363 N ILE B 75 70.637 23.936 -6.345 1.00 56.43 N +ATOM 3364 CA ILE B 75 69.967 22.851 -7.025 1.00 55.15 C +ATOM 3365 C ILE B 75 68.519 22.719 -6.539 1.00 53.69 C +ATOM 3366 O ILE B 75 67.599 22.659 -7.364 1.00 52.96 O +ATOM 3367 CB ILE B 75 70.772 21.522 -6.826 1.00 56.26 C +ATOM 3368 CG1 ILE B 75 72.087 21.593 -7.627 1.00 56.42 C +ATOM 3369 CG2 ILE B 75 69.936 20.311 -7.224 1.00 56.45 C +ATOM 3370 CD1 ILE B 75 71.947 21.724 -9.155 1.00 57.10 C +ATOM 3371 N LEU B 76 68.300 22.715 -5.226 1.00 52.55 N +ATOM 3372 CA LEU B 76 66.946 22.544 -4.719 1.00 51.08 C +ATOM 3373 C LEU B 76 66.019 23.713 -5.036 1.00 51.21 C +ATOM 3374 O LEU B 76 64.802 23.527 -4.999 1.00 51.82 O +ATOM 3375 CB LEU B 76 66.956 22.166 -3.229 1.00 49.04 C +ATOM 3376 CG LEU B 76 67.191 20.642 -3.190 1.00 48.43 C +ATOM 3377 CD1 LEU B 76 68.670 20.317 -3.174 1.00 48.59 C +ATOM 3378 CD2 LEU B 76 66.525 20.040 -1.997 1.00 48.27 C +ATOM 3379 N LEU B 77 66.525 24.898 -5.360 1.00 50.39 N +ATOM 3380 CA LEU B 77 65.568 25.936 -5.731 1.00 49.78 C +ATOM 3381 C LEU B 77 65.118 25.555 -7.133 1.00 49.91 C +ATOM 3382 O LEU B 77 63.928 25.654 -7.484 1.00 50.38 O +ATOM 3383 CB LEU B 77 66.204 27.330 -5.740 1.00 48.86 C +ATOM 3384 CG LEU B 77 65.211 28.400 -6.227 1.00 49.30 C +ATOM 3385 CD1 LEU B 77 64.056 28.532 -5.250 1.00 49.46 C +ATOM 3386 CD2 LEU B 77 65.898 29.730 -6.385 1.00 49.22 C +ATOM 3387 N ASN B 78 66.096 25.095 -7.917 1.00 49.59 N +ATOM 3388 CA ASN B 78 65.888 24.648 -9.290 1.00 48.73 C +ATOM 3389 C ASN B 78 64.725 23.702 -9.208 1.00 47.82 C +ATOM 3390 O ASN B 78 63.634 24.022 -9.673 1.00 47.45 O +ATOM 3391 CB ASN B 78 67.158 23.927 -9.788 1.00 48.71 C +ATOM 3392 CG ASN B 78 67.359 24.032 -11.296 1.00 49.38 C +ATOM 3393 OD1 ASN B 78 66.862 24.950 -11.938 1.00 49.77 O +ATOM 3394 ND2 ASN B 78 68.118 23.094 -11.857 1.00 49.58 N +ATOM 3395 N LEU B 79 64.953 22.568 -8.559 1.00 46.85 N +ATOM 3396 CA LEU B 79 63.929 21.564 -8.365 1.00 45.63 C +ATOM 3397 C LEU B 79 62.645 22.202 -7.911 1.00 45.84 C +ATOM 3398 O LEU B 79 61.597 21.867 -8.443 1.00 46.58 O +ATOM 3399 CB LEU B 79 64.399 20.555 -7.333 1.00 45.29 C +ATOM 3400 CG LEU B 79 65.421 19.535 -7.844 1.00 46.06 C +ATOM 3401 CD1 LEU B 79 66.486 20.220 -8.664 1.00 47.40 C +ATOM 3402 CD2 LEU B 79 66.037 18.812 -6.671 1.00 46.46 C +ATOM 3403 N ALA B 80 62.706 23.113 -6.946 1.00 45.47 N +ATOM 3404 CA ALA B 80 61.495 23.769 -6.466 1.00 45.10 C +ATOM 3405 C ALA B 80 60.809 24.436 -7.629 1.00 45.33 C +ATOM 3406 O ALA B 80 59.586 24.398 -7.700 1.00 45.80 O +ATOM 3407 CB ALA B 80 61.828 24.801 -5.392 1.00 45.13 C +ATOM 3408 N VAL B 81 61.584 25.030 -8.536 1.00 44.88 N +ATOM 3409 CA VAL B 81 61.029 25.714 -9.714 1.00 44.96 C +ATOM 3410 C VAL B 81 60.579 24.737 -10.799 1.00 45.08 C +ATOM 3411 O VAL B 81 59.611 24.989 -11.497 1.00 45.62 O +ATOM 3412 CB VAL B 81 62.053 26.676 -10.344 1.00 44.60 C +ATOM 3413 CG1 VAL B 81 61.572 27.134 -11.704 1.00 43.33 C +ATOM 3414 CG2 VAL B 81 62.231 27.867 -9.466 1.00 45.06 C +ATOM 3415 N ALA B 82 61.301 23.646 -10.970 1.00 45.23 N +ATOM 3416 CA ALA B 82 60.922 22.675 -11.968 1.00 44.90 C +ATOM 3417 C ALA B 82 59.637 22.000 -11.486 1.00 45.56 C +ATOM 3418 O ALA B 82 58.757 21.652 -12.293 1.00 45.50 O +ATOM 3419 CB ALA B 82 62.048 21.654 -12.134 1.00 44.06 C +ATOM 3420 N ASP B 83 59.521 21.851 -10.169 1.00 45.61 N +ATOM 3421 CA ASP B 83 58.362 21.202 -9.581 1.00 45.44 C +ATOM 3422 C ASP B 83 57.132 22.061 -9.726 1.00 45.96 C +ATOM 3423 O ASP B 83 56.035 21.537 -9.941 1.00 46.53 O +ATOM 3424 CB ASP B 83 58.611 20.907 -8.109 1.00 44.80 C +ATOM 3425 CG ASP B 83 59.601 19.787 -7.904 1.00 44.67 C +ATOM 3426 OD1 ASP B 83 60.020 19.152 -8.901 1.00 44.59 O +ATOM 3427 OD2 ASP B 83 59.955 19.542 -6.734 1.00 44.12 O +ATOM 3428 N LEU B 84 57.291 23.370 -9.608 1.00 45.80 N +ATOM 3429 CA LEU B 84 56.151 24.258 -9.744 1.00 46.50 C +ATOM 3430 C LEU B 84 55.631 24.226 -11.180 1.00 47.41 C +ATOM 3431 O LEU B 84 54.460 24.508 -11.416 1.00 48.05 O +ATOM 3432 CB LEU B 84 56.544 25.674 -9.327 1.00 47.56 C +ATOM 3433 CG LEU B 84 56.776 25.860 -7.823 1.00 47.99 C +ATOM 3434 CD1 LEU B 84 57.380 27.236 -7.592 1.00 46.99 C +ATOM 3435 CD2 LEU B 84 55.459 25.685 -7.052 1.00 47.71 C +ATOM 3436 N PHE B 85 56.492 23.889 -12.137 1.00 47.36 N +ATOM 3437 CA PHE B 85 56.064 23.789 -13.533 1.00 47.55 C +ATOM 3438 C PHE B 85 55.271 22.522 -13.732 1.00 47.21 C +ATOM 3439 O PHE B 85 54.204 22.558 -14.351 1.00 48.20 O +ATOM 3440 CB PHE B 85 57.256 23.788 -14.480 1.00 47.72 C +ATOM 3441 CG PHE B 85 57.716 25.148 -14.826 1.00 48.29 C +ATOM 3442 CD1 PHE B 85 56.831 26.048 -15.411 1.00 48.19 C +ATOM 3443 CD2 PHE B 85 59.019 25.548 -14.552 1.00 48.88 C +ATOM 3444 CE1 PHE B 85 57.240 27.341 -15.717 1.00 47.90 C +ATOM 3445 CE2 PHE B 85 59.444 26.835 -14.852 1.00 48.70 C +ATOM 3446 CZ PHE B 85 58.554 27.740 -15.438 1.00 47.98 C +ATOM 3447 N MET B 86 55.786 21.405 -13.231 1.00 46.19 N +ATOM 3448 CA MET B 86 55.062 20.154 -13.348 1.00 45.05 C +ATOM 3449 C MET B 86 53.657 20.393 -12.859 1.00 44.00 C +ATOM 3450 O MET B 86 52.716 20.196 -13.606 1.00 44.50 O +ATOM 3451 CB MET B 86 55.708 19.075 -12.481 1.00 45.22 C +ATOM 3452 CG MET B 86 57.158 18.783 -12.808 1.00 44.79 C +ATOM 3453 SD MET B 86 57.787 17.414 -11.823 1.00 47.66 S +ATOM 3454 CE MET B 86 57.243 16.022 -12.752 1.00 45.68 C +ATOM 3455 N VAL B 87 53.539 20.852 -11.615 1.00 42.46 N +ATOM 3456 CA VAL B 87 52.253 21.099 -10.974 1.00 41.12 C +ATOM 3457 C VAL B 87 51.309 21.976 -11.802 1.00 41.70 C +ATOM 3458 O VAL B 87 50.184 21.550 -12.117 1.00 42.19 O +ATOM 3459 CB VAL B 87 52.461 21.733 -9.586 1.00 39.09 C +ATOM 3460 CG1 VAL B 87 51.145 22.208 -9.020 1.00 37.84 C +ATOM 3461 CG2 VAL B 87 53.079 20.719 -8.653 1.00 37.96 C +ATOM 3462 N PHE B 88 51.749 23.181 -12.155 1.00 42.10 N +ATOM 3463 CA PHE B 88 50.905 24.116 -12.907 1.00 41.87 C +ATOM 3464 C PHE B 88 50.934 23.851 -14.380 1.00 41.31 C +ATOM 3465 O PHE B 88 49.897 23.896 -15.008 1.00 40.80 O +ATOM 3466 CB PHE B 88 51.339 25.563 -12.626 1.00 42.72 C +ATOM 3467 CG PHE B 88 51.028 26.028 -11.224 1.00 43.91 C +ATOM 3468 CD1 PHE B 88 49.712 26.259 -10.831 1.00 44.79 C +ATOM 3469 CD2 PHE B 88 52.044 26.193 -10.284 1.00 43.85 C +ATOM 3470 CE1 PHE B 88 49.416 26.640 -9.532 1.00 45.01 C +ATOM 3471 CE2 PHE B 88 51.756 26.573 -8.988 1.00 44.06 C +ATOM 3472 CZ PHE B 88 50.443 26.797 -8.609 1.00 45.18 C +ATOM 3473 N GLY B 89 52.111 23.580 -14.930 1.00 41.66 N +ATOM 3474 CA GLY B 89 52.219 23.316 -16.351 1.00 41.90 C +ATOM 3475 C GLY B 89 51.633 21.995 -16.827 1.00 42.79 C +ATOM 3476 O GLY B 89 51.060 21.932 -17.903 1.00 42.68 O +ATOM 3477 N GLY B 90 51.763 20.939 -16.032 1.00 43.32 N +ATOM 3478 CA GLY B 90 51.249 19.654 -16.469 1.00 43.20 C +ATOM 3479 C GLY B 90 50.197 18.987 -15.617 1.00 43.65 C +ATOM 3480 O GLY B 90 49.222 18.497 -16.143 1.00 45.05 O +ATOM 3481 N PHE B 91 50.393 18.976 -14.305 1.00 42.95 N +ATOM 3482 CA PHE B 91 49.458 18.331 -13.390 1.00 41.35 C +ATOM 3483 C PHE B 91 48.070 18.877 -13.542 1.00 41.69 C +ATOM 3484 O PHE B 91 47.083 18.166 -13.329 1.00 42.62 O +ATOM 3485 CB PHE B 91 49.943 18.457 -11.946 1.00 39.94 C +ATOM 3486 CG PHE B 91 51.128 17.588 -11.643 1.00 38.82 C +ATOM 3487 CD1 PHE B 91 51.667 16.762 -12.627 1.00 37.58 C +ATOM 3488 CD2 PHE B 91 51.702 17.579 -10.379 1.00 38.38 C +ATOM 3489 CE1 PHE B 91 52.752 15.948 -12.359 1.00 37.77 C +ATOM 3490 CE2 PHE B 91 52.798 16.759 -10.103 1.00 37.52 C +ATOM 3491 CZ PHE B 91 53.321 15.944 -11.098 1.00 36.95 C +ATOM 3492 N THR B 92 47.966 20.128 -13.937 1.00 41.59 N +ATOM 3493 CA THR B 92 46.650 20.709 -14.110 1.00 41.84 C +ATOM 3494 C THR B 92 45.896 20.014 -15.248 1.00 41.20 C +ATOM 3495 O THR B 92 44.708 19.767 -15.124 1.00 40.49 O +ATOM 3496 CB THR B 92 46.784 22.205 -14.370 1.00 43.41 C +ATOM 3497 OG1 THR B 92 47.801 22.428 -15.365 1.00 45.67 O +ATOM 3498 CG2 THR B 92 47.163 22.920 -13.069 1.00 44.36 C +ATOM 3499 N THR B 93 46.578 19.694 -16.341 1.00 40.67 N +ATOM 3500 CA THR B 93 45.922 19.029 -17.448 1.00 40.30 C +ATOM 3501 C THR B 93 45.638 17.602 -17.084 1.00 39.99 C +ATOM 3502 O THR B 93 44.605 17.081 -17.467 1.00 39.40 O +ATOM 3503 CB THR B 93 46.798 19.018 -18.711 1.00 41.17 C +ATOM 3504 OG1 THR B 93 46.911 20.339 -19.244 1.00 42.27 O +ATOM 3505 CG2 THR B 93 46.184 18.124 -19.771 1.00 41.58 C +ATOM 3506 N THR B 94 46.536 16.963 -16.343 1.00 39.96 N +ATOM 3507 CA THR B 94 46.335 15.562 -16.003 1.00 40.39 C +ATOM 3508 C THR B 94 45.161 15.368 -15.083 1.00 40.62 C +ATOM 3509 O THR B 94 44.559 14.284 -15.107 1.00 40.47 O +ATOM 3510 CB THR B 94 47.636 14.892 -15.429 1.00 40.95 C +ATOM 3511 OG1 THR B 94 47.295 13.694 -14.713 1.00 41.51 O +ATOM 3512 CG2 THR B 94 48.399 15.831 -14.562 1.00 40.33 C +ATOM 3513 N LEU B 95 44.817 16.417 -14.324 1.00 40.95 N +ATOM 3514 CA LEU B 95 43.667 16.413 -13.401 1.00 40.58 C +ATOM 3515 C LEU B 95 42.374 16.586 -14.195 1.00 41.06 C +ATOM 3516 O LEU B 95 41.427 15.833 -14.041 1.00 40.81 O +ATOM 3517 CB LEU B 95 43.793 17.560 -12.397 1.00 39.55 C +ATOM 3518 CG LEU B 95 42.590 17.701 -11.462 1.00 38.88 C +ATOM 3519 CD1 LEU B 95 42.288 16.376 -10.802 1.00 39.84 C +ATOM 3520 CD2 LEU B 95 42.875 18.733 -10.415 1.00 38.54 C +ATOM 3521 N TYR B 96 42.360 17.599 -15.044 1.00 42.22 N +ATOM 3522 CA TYR B 96 41.229 17.905 -15.887 1.00 43.12 C +ATOM 3523 C TYR B 96 40.889 16.706 -16.755 1.00 42.66 C +ATOM 3524 O TYR B 96 39.722 16.329 -16.870 1.00 42.86 O +ATOM 3525 CB TYR B 96 41.599 19.078 -16.766 1.00 45.75 C +ATOM 3526 CG TYR B 96 40.440 19.614 -17.554 1.00 50.20 C +ATOM 3527 CD1 TYR B 96 39.474 20.423 -16.951 1.00 51.62 C +ATOM 3528 CD2 TYR B 96 40.299 19.311 -18.907 1.00 52.67 C +ATOM 3529 CE1 TYR B 96 38.389 20.918 -17.681 1.00 53.69 C +ATOM 3530 CE2 TYR B 96 39.225 19.804 -19.649 1.00 54.49 C +ATOM 3531 CZ TYR B 96 38.271 20.605 -19.035 1.00 54.68 C +ATOM 3532 OH TYR B 96 37.203 21.061 -19.782 1.00 55.23 O +ATOM 3533 N THR B 97 41.914 16.130 -17.375 1.00 41.73 N +ATOM 3534 CA THR B 97 41.780 14.956 -18.247 1.00 40.99 C +ATOM 3535 C THR B 97 41.136 13.788 -17.492 1.00 40.62 C +ATOM 3536 O THR B 97 40.156 13.210 -17.956 1.00 40.35 O +ATOM 3537 CB THR B 97 43.181 14.528 -18.794 1.00 40.31 C +ATOM 3538 OG1 THR B 97 43.722 15.586 -19.594 1.00 40.48 O +ATOM 3539 CG2 THR B 97 43.089 13.291 -19.646 1.00 40.31 C +ATOM 3540 N SER B 98 41.689 13.441 -16.339 1.00 40.94 N +ATOM 3541 CA SER B 98 41.149 12.353 -15.535 1.00 41.45 C +ATOM 3542 C SER B 98 39.710 12.668 -15.174 1.00 41.67 C +ATOM 3543 O SER B 98 38.865 11.765 -15.132 1.00 42.42 O +ATOM 3544 CB SER B 98 41.959 12.192 -14.240 1.00 41.38 C +ATOM 3545 OG SER B 98 43.346 12.027 -14.487 1.00 40.92 O +ATOM 3546 N LEU B 99 39.435 13.942 -14.895 1.00 42.04 N +ATOM 3547 CA LEU B 99 38.094 14.367 -14.526 1.00 42.04 C +ATOM 3548 C LEU B 99 37.143 14.118 -15.645 1.00 43.24 C +ATOM 3549 O LEU B 99 35.946 14.033 -15.399 1.00 45.01 O +ATOM 3550 CB LEU B 99 38.075 15.845 -14.160 1.00 40.50 C +ATOM 3551 CG LEU B 99 38.606 16.091 -12.752 1.00 40.32 C +ATOM 3552 CD1 LEU B 99 38.696 17.582 -12.476 1.00 39.77 C +ATOM 3553 CD2 LEU B 99 37.702 15.410 -11.758 1.00 38.67 C +ATOM 3554 N HIS B 100 37.658 13.967 -16.862 1.00 43.76 N +ATOM 3555 CA HIS B 100 36.804 13.749 -18.020 1.00 43.37 C +ATOM 3556 C HIS B 100 36.953 12.394 -18.633 1.00 42.44 C +ATOM 3557 O HIS B 100 36.100 11.995 -19.386 1.00 42.36 O +ATOM 3558 CB HIS B 100 37.075 14.837 -19.037 1.00 45.33 C +ATOM 3559 CG HIS B 100 36.742 16.193 -18.521 1.00 48.76 C +ATOM 3560 ND1 HIS B 100 35.469 16.528 -18.114 1.00 50.07 N +ATOM 3561 CD2 HIS B 100 37.521 17.263 -18.249 1.00 49.72 C +ATOM 3562 CE1 HIS B 100 35.479 17.748 -17.610 1.00 50.87 C +ATOM 3563 NE2 HIS B 100 36.712 18.216 -17.679 1.00 51.17 N +ATOM 3564 N GLY B 101 38.018 11.673 -18.334 1.00 42.05 N +ATOM 3565 CA GLY B 101 38.140 10.362 -18.927 1.00 41.58 C +ATOM 3566 C GLY B 101 38.967 10.323 -20.191 1.00 41.82 C +ATOM 3567 O GLY B 101 39.250 9.251 -20.698 1.00 42.39 O +ATOM 3568 N TYR B 102 39.343 11.483 -20.716 1.00 41.49 N +ATOM 3569 CA TYR B 102 40.178 11.542 -21.916 1.00 41.64 C +ATOM 3570 C TYR B 102 40.729 12.915 -22.057 1.00 41.74 C +ATOM 3571 O TYR B 102 40.343 13.810 -21.305 1.00 41.70 O +ATOM 3572 CB TYR B 102 39.403 11.214 -23.187 1.00 42.22 C +ATOM 3573 CG TYR B 102 38.401 12.264 -23.565 1.00 43.25 C +ATOM 3574 CD1 TYR B 102 37.160 12.322 -22.925 1.00 43.73 C +ATOM 3575 CD2 TYR B 102 38.698 13.224 -24.537 1.00 43.93 C +ATOM 3576 CE1 TYR B 102 36.231 13.310 -23.235 1.00 44.41 C +ATOM 3577 CE2 TYR B 102 37.777 14.223 -24.859 1.00 44.20 C +ATOM 3578 CZ TYR B 102 36.546 14.258 -24.198 1.00 44.69 C +ATOM 3579 OH TYR B 102 35.628 15.246 -24.471 1.00 45.76 O +ATOM 3580 N PHE B 103 41.629 13.088 -23.022 1.00 41.92 N +ATOM 3581 CA PHE B 103 42.255 14.383 -23.260 1.00 42.21 C +ATOM 3582 C PHE B 103 41.297 15.280 -23.966 1.00 43.57 C +ATOM 3583 O PHE B 103 41.318 15.360 -25.185 1.00 43.12 O +ATOM 3584 CB PHE B 103 43.541 14.206 -24.064 1.00 40.22 C +ATOM 3585 CG PHE B 103 44.739 13.982 -23.205 1.00 39.52 C +ATOM 3586 CD1 PHE B 103 45.437 15.061 -22.672 1.00 38.74 C +ATOM 3587 CD2 PHE B 103 45.121 12.694 -22.850 1.00 39.40 C +ATOM 3588 CE1 PHE B 103 46.489 14.863 -21.798 1.00 38.85 C +ATOM 3589 CE2 PHE B 103 46.174 12.487 -21.973 1.00 39.97 C +ATOM 3590 CZ PHE B 103 46.860 13.574 -21.446 1.00 39.27 C +ATOM 3591 N VAL B 104 40.443 15.950 -23.201 1.00 45.63 N +ATOM 3592 CA VAL B 104 39.464 16.836 -23.807 1.00 48.83 C +ATOM 3593 C VAL B 104 40.197 17.962 -24.556 1.00 50.31 C +ATOM 3594 O VAL B 104 39.683 18.439 -25.581 1.00 51.85 O +ATOM 3595 CB VAL B 104 38.459 17.411 -22.749 1.00 48.51 C +ATOM 3596 CG1 VAL B 104 38.603 16.680 -21.421 1.00 48.36 C +ATOM 3597 CG2 VAL B 104 38.665 18.893 -22.583 1.00 50.17 C +ATOM 3598 N PHE B 105 41.385 18.360 -24.080 1.00 51.13 N +ATOM 3599 CA PHE B 105 42.171 19.422 -24.739 1.00 51.44 C +ATOM 3600 C PHE B 105 43.006 18.855 -25.874 1.00 49.67 C +ATOM 3601 O PHE B 105 44.030 19.438 -26.197 1.00 49.89 O +ATOM 3602 CB PHE B 105 43.142 20.112 -23.763 1.00 54.80 C +ATOM 3603 CG PHE B 105 42.476 20.773 -22.584 1.00 58.87 C +ATOM 3604 CD1 PHE B 105 41.423 21.689 -22.771 1.00 60.06 C +ATOM 3605 CD2 PHE B 105 42.918 20.499 -21.280 1.00 59.84 C +ATOM 3606 CE1 PHE B 105 40.811 22.329 -21.674 1.00 60.65 C +ATOM 3607 CE2 PHE B 105 42.317 21.130 -20.177 1.00 60.55 C +ATOM 3608 CZ PHE B 105 41.257 22.050 -20.376 1.00 60.67 C +ATOM 3609 N GLY B 106 42.601 17.732 -26.460 1.00 47.68 N +ATOM 3610 CA GLY B 106 43.376 17.161 -27.544 1.00 45.29 C +ATOM 3611 C GLY B 106 44.880 17.065 -27.309 1.00 44.42 C +ATOM 3612 O GLY B 106 45.358 17.100 -26.172 1.00 43.40 O +ATOM 3613 N PRO B 107 45.661 16.940 -28.392 1.00 44.33 N +ATOM 3614 CA PRO B 107 47.122 16.831 -28.327 1.00 44.37 C +ATOM 3615 C PRO B 107 47.890 17.962 -27.677 1.00 44.57 C +ATOM 3616 O PRO B 107 49.022 17.744 -27.265 1.00 44.52 O +ATOM 3617 CB PRO B 107 47.527 16.584 -29.785 1.00 44.18 C +ATOM 3618 CG PRO B 107 46.362 17.071 -30.580 1.00 43.84 C +ATOM 3619 CD PRO B 107 45.180 16.684 -29.761 1.00 43.97 C +ATOM 3620 N THR B 108 47.313 19.155 -27.585 1.00 44.90 N +ATOM 3621 CA THR B 108 48.017 20.241 -26.917 1.00 44.94 C +ATOM 3622 C THR B 108 48.094 19.897 -25.444 1.00 45.84 C +ATOM 3623 O THR B 108 49.162 20.027 -24.853 1.00 47.17 O +ATOM 3624 CB THR B 108 47.286 21.577 -27.090 1.00 44.19 C +ATOM 3625 OG1 THR B 108 47.546 22.078 -28.400 1.00 44.67 O +ATOM 3626 CG2 THR B 108 47.760 22.594 -26.066 1.00 44.20 C +ATOM 3627 N GLY B 109 46.970 19.451 -24.869 1.00 45.87 N +ATOM 3628 CA GLY B 109 46.921 19.076 -23.461 1.00 44.79 C +ATOM 3629 C GLY B 109 47.884 17.937 -23.198 1.00 44.24 C +ATOM 3630 O GLY B 109 48.552 17.907 -22.161 1.00 44.83 O +ATOM 3631 N CYS B 110 47.946 17.011 -24.159 1.00 43.45 N +ATOM 3632 CA CYS B 110 48.819 15.851 -24.107 1.00 42.94 C +ATOM 3633 C CYS B 110 50.260 16.303 -24.101 1.00 43.99 C +ATOM 3634 O CYS B 110 51.107 15.676 -23.430 1.00 43.81 O +ATOM 3635 CB CYS B 110 48.573 14.995 -25.335 1.00 42.64 C +ATOM 3636 SG CYS B 110 49.521 13.449 -25.467 1.00 41.21 S +ATOM 3637 N ASN B 111 50.546 17.360 -24.872 1.00 44.43 N +ATOM 3638 CA ASN B 111 51.894 17.929 -24.942 1.00 44.54 C +ATOM 3639 C ASN B 111 52.190 18.615 -23.621 1.00 44.63 C +ATOM 3640 O ASN B 111 53.293 18.483 -23.093 1.00 45.36 O +ATOM 3641 CB ASN B 111 52.008 18.945 -26.083 1.00 45.24 C +ATOM 3642 CG ASN B 111 51.867 18.306 -27.454 1.00 46.09 C +ATOM 3643 OD1 ASN B 111 52.535 17.319 -27.775 1.00 45.41 O +ATOM 3644 ND2 ASN B 111 51.003 18.882 -28.277 1.00 47.04 N +ATOM 3645 N LEU B 112 51.211 19.336 -23.088 1.00 43.68 N +ATOM 3646 CA LEU B 112 51.393 20.000 -21.816 1.00 42.82 C +ATOM 3647 C LEU B 112 51.698 18.950 -20.781 1.00 43.57 C +ATOM 3648 O LEU B 112 52.733 19.010 -20.111 1.00 44.09 O +ATOM 3649 CB LEU B 112 50.125 20.766 -21.429 1.00 41.74 C +ATOM 3650 CG LEU B 112 49.887 22.087 -22.159 1.00 41.04 C +ATOM 3651 CD1 LEU B 112 48.601 22.714 -21.671 1.00 39.53 C +ATOM 3652 CD2 LEU B 112 51.063 23.009 -21.914 1.00 39.39 C +ATOM 3653 N GLU B 113 50.807 17.975 -20.668 1.00 43.82 N +ATOM 3654 CA GLU B 113 50.958 16.904 -19.696 1.00 44.75 C +ATOM 3655 C GLU B 113 52.341 16.252 -19.816 1.00 45.66 C +ATOM 3656 O GLU B 113 53.090 16.208 -18.824 1.00 46.76 O +ATOM 3657 CB GLU B 113 49.842 15.871 -19.903 1.00 44.18 C +ATOM 3658 CG GLU B 113 49.261 15.297 -18.638 1.00 44.43 C +ATOM 3659 CD GLU B 113 50.249 14.445 -17.865 1.00 45.54 C +ATOM 3660 OE1 GLU B 113 50.825 13.517 -18.464 1.00 44.80 O +ATOM 3661 OE2 GLU B 113 50.441 14.698 -16.651 1.00 45.85 O +ATOM 3662 N GLY B 114 52.692 15.773 -21.009 1.00 45.62 N +ATOM 3663 CA GLY B 114 53.976 15.117 -21.197 1.00 45.73 C +ATOM 3664 C GLY B 114 55.256 15.941 -21.102 1.00 46.41 C +ATOM 3665 O GLY B 114 56.221 15.509 -20.474 1.00 46.29 O +ATOM 3666 N PHE B 115 55.271 17.124 -21.716 1.00 46.63 N +ATOM 3667 CA PHE B 115 56.469 17.976 -21.725 1.00 47.33 C +ATOM 3668 C PHE B 115 56.942 18.317 -20.337 1.00 47.50 C +ATOM 3669 O PHE B 115 58.116 18.084 -20.006 1.00 48.05 O +ATOM 3670 CB PHE B 115 56.219 19.289 -22.471 1.00 47.33 C +ATOM 3671 CG PHE B 115 57.355 20.267 -22.357 1.00 47.72 C +ATOM 3672 CD1 PHE B 115 58.497 20.114 -23.127 1.00 48.06 C +ATOM 3673 CD2 PHE B 115 57.294 21.317 -21.450 1.00 47.60 C +ATOM 3674 CE1 PHE B 115 59.554 20.983 -22.999 1.00 47.35 C +ATOM 3675 CE2 PHE B 115 58.349 22.188 -21.318 1.00 47.17 C +ATOM 3676 CZ PHE B 115 59.483 22.022 -22.094 1.00 47.20 C +ATOM 3677 N PHE B 116 56.047 18.893 -19.542 1.00 46.82 N +ATOM 3678 CA PHE B 116 56.384 19.301 -18.189 1.00 46.25 C +ATOM 3679 C PHE B 116 56.739 18.153 -17.310 1.00 45.89 C +ATOM 3680 O PHE B 116 57.668 18.283 -16.526 1.00 45.54 O +ATOM 3681 CB PHE B 116 55.245 20.113 -17.591 1.00 45.78 C +ATOM 3682 CG PHE B 116 55.170 21.478 -18.152 1.00 45.51 C +ATOM 3683 CD1 PHE B 116 56.263 22.335 -18.033 1.00 45.25 C +ATOM 3684 CD2 PHE B 116 54.055 21.894 -18.864 1.00 45.71 C +ATOM 3685 CE1 PHE B 116 56.248 23.575 -18.612 1.00 44.19 C +ATOM 3686 CE2 PHE B 116 54.025 23.149 -19.459 1.00 45.06 C +ATOM 3687 CZ PHE B 116 55.129 23.992 -19.333 1.00 44.27 C +ATOM 3688 N ALA B 117 56.023 17.042 -17.423 1.00 45.40 N +ATOM 3689 CA ALA B 117 56.337 15.897 -16.602 1.00 45.32 C +ATOM 3690 C ALA B 117 57.717 15.421 -16.992 1.00 45.75 C +ATOM 3691 O ALA B 117 58.470 14.906 -16.157 1.00 46.21 O +ATOM 3692 CB ALA B 117 55.305 14.809 -16.818 1.00 44.97 C +ATOM 3693 N THR B 118 58.062 15.615 -18.260 1.00 46.06 N +ATOM 3694 CA THR B 118 59.361 15.204 -18.751 1.00 47.01 C +ATOM 3695 C THR B 118 60.393 16.268 -18.431 1.00 47.59 C +ATOM 3696 O THR B 118 61.502 15.934 -18.009 1.00 48.51 O +ATOM 3697 CB THR B 118 59.321 14.980 -20.248 1.00 47.26 C +ATOM 3698 OG1 THR B 118 58.354 13.965 -20.545 1.00 49.00 O +ATOM 3699 CG2 THR B 118 60.678 14.531 -20.742 1.00 48.04 C +ATOM 3700 N LEU B 119 60.051 17.535 -18.637 1.00 47.57 N +ATOM 3701 CA LEU B 119 60.975 18.612 -18.321 1.00 48.25 C +ATOM 3702 C LEU B 119 61.363 18.478 -16.845 1.00 48.42 C +ATOM 3703 O LEU B 119 62.543 18.542 -16.492 1.00 48.49 O +ATOM 3704 CB LEU B 119 60.299 19.967 -18.552 1.00 49.29 C +ATOM 3705 CG LEU B 119 61.079 21.149 -19.157 1.00 49.94 C +ATOM 3706 CD1 LEU B 119 60.573 22.429 -18.505 1.00 49.31 C +ATOM 3707 CD2 LEU B 119 62.584 20.997 -18.953 1.00 50.14 C +ATOM 3708 N GLY B 120 60.357 18.269 -15.998 1.00 48.30 N +ATOM 3709 CA GLY B 120 60.571 18.130 -14.567 1.00 47.57 C +ATOM 3710 C GLY B 120 61.428 16.959 -14.112 1.00 48.03 C +ATOM 3711 O GLY B 120 62.316 17.139 -13.272 1.00 48.82 O +ATOM 3712 N GLY B 121 61.161 15.764 -14.636 1.00 48.07 N +ATOM 3713 CA GLY B 121 61.944 14.591 -14.261 1.00 48.69 C +ATOM 3714 C GLY B 121 63.396 14.614 -14.739 1.00 49.60 C +ATOM 3715 O GLY B 121 64.305 14.182 -14.011 1.00 49.48 O +ATOM 3716 N GLU B 122 63.623 15.106 -15.959 1.00 50.20 N +ATOM 3717 CA GLU B 122 64.967 15.182 -16.507 1.00 51.20 C +ATOM 3718 C GLU B 122 65.778 16.275 -15.808 1.00 51.72 C +ATOM 3719 O GLU B 122 66.979 16.098 -15.606 1.00 52.45 O +ATOM 3720 CB GLU B 122 64.909 15.401 -18.013 1.00 51.19 C +ATOM 3721 CG GLU B 122 64.750 14.103 -18.809 1.00 53.05 C +ATOM 3722 CD GLU B 122 65.939 13.130 -18.650 1.00 54.87 C +ATOM 3723 OE1 GLU B 122 67.103 13.589 -18.643 1.00 56.61 O +ATOM 3724 OE2 GLU B 122 65.728 11.898 -18.552 1.00 54.58 O +ATOM 3725 N ILE B 123 65.161 17.401 -15.454 1.00 51.49 N +ATOM 3726 CA ILE B 123 65.904 18.423 -14.731 1.00 51.07 C +ATOM 3727 C ILE B 123 66.383 17.788 -13.452 1.00 51.00 C +ATOM 3728 O ILE B 123 67.468 18.075 -12.975 1.00 51.18 O +ATOM 3729 CB ILE B 123 65.020 19.623 -14.372 1.00 50.75 C +ATOM 3730 CG1 ILE B 123 64.944 20.575 -15.557 1.00 50.27 C +ATOM 3731 CG2 ILE B 123 65.568 20.345 -13.149 1.00 50.69 C +ATOM 3732 CD1 ILE B 123 64.030 21.756 -15.306 1.00 51.18 C +ATOM 3733 N ALA B 124 65.565 16.897 -12.916 1.00 50.87 N +ATOM 3734 CA ALA B 124 65.879 16.211 -11.679 1.00 50.87 C +ATOM 3735 C ALA B 124 67.022 15.264 -11.877 1.00 51.61 C +ATOM 3736 O ALA B 124 67.832 15.113 -10.984 1.00 52.55 O +ATOM 3737 CB ALA B 124 64.654 15.459 -11.174 1.00 50.11 C +ATOM 3738 N LEU B 125 67.104 14.615 -13.028 1.00 52.52 N +ATOM 3739 CA LEU B 125 68.193 13.670 -13.254 1.00 53.65 C +ATOM 3740 C LEU B 125 69.481 14.421 -13.525 1.00 55.33 C +ATOM 3741 O LEU B 125 70.539 14.015 -13.035 1.00 56.04 O +ATOM 3742 CB LEU B 125 67.870 12.735 -14.426 1.00 52.50 C +ATOM 3743 CG LEU B 125 68.936 11.719 -14.850 1.00 51.10 C +ATOM 3744 CD1 LEU B 125 69.277 10.801 -13.697 1.00 50.68 C +ATOM 3745 CD2 LEU B 125 68.434 10.919 -16.049 1.00 51.44 C +ATOM 3746 N TRP B 126 69.411 15.510 -14.287 1.00 56.35 N +ATOM 3747 CA TRP B 126 70.620 16.270 -14.583 1.00 57.64 C +ATOM 3748 C TRP B 126 71.157 16.895 -13.316 1.00 57.55 C +ATOM 3749 O TRP B 126 72.351 16.764 -13.040 1.00 57.61 O +ATOM 3750 CB TRP B 126 70.353 17.314 -15.687 1.00 59.09 C +ATOM 3751 CG TRP B 126 70.219 16.619 -16.996 1.00 61.19 C +ATOM 3752 CD1 TRP B 126 69.069 16.415 -17.714 1.00 62.01 C +ATOM 3753 CD2 TRP B 126 71.226 15.826 -17.629 1.00 62.21 C +ATOM 3754 NE1 TRP B 126 69.301 15.527 -18.740 1.00 62.01 N +ATOM 3755 CE2 TRP B 126 70.617 15.150 -18.707 1.00 62.36 C +ATOM 3756 CE3 TRP B 126 72.586 15.615 -17.379 1.00 62.98 C +ATOM 3757 CZ2 TRP B 126 71.322 14.278 -19.531 1.00 63.28 C +ATOM 3758 CZ3 TRP B 126 73.284 14.751 -18.199 1.00 63.27 C +ATOM 3759 CH2 TRP B 126 72.650 14.092 -19.262 1.00 63.65 C +ATOM 3760 N SER B 127 70.288 17.533 -12.534 1.00 57.29 N +ATOM 3761 CA SER B 127 70.702 18.147 -11.276 1.00 57.13 C +ATOM 3762 C SER B 127 71.329 17.104 -10.351 1.00 57.68 C +ATOM 3763 O SER B 127 72.073 17.467 -9.447 1.00 58.05 O +ATOM 3764 CB SER B 127 69.505 18.803 -10.581 1.00 55.89 C +ATOM 3765 OG SER B 127 68.999 19.881 -11.349 1.00 55.53 O +ATOM 3766 N LEU B 128 71.040 15.822 -10.572 1.00 58.30 N +ATOM 3767 CA LEU B 128 71.595 14.761 -9.730 1.00 58.98 C +ATOM 3768 C LEU B 128 73.024 14.487 -10.132 1.00 59.81 C +ATOM 3769 O LEU B 128 73.793 13.945 -9.344 1.00 60.24 O +ATOM 3770 CB LEU B 128 70.743 13.476 -9.826 1.00 58.82 C +ATOM 3771 CG LEU B 128 69.506 13.334 -8.903 1.00 59.32 C +ATOM 3772 CD1 LEU B 128 68.726 12.057 -9.215 1.00 59.68 C +ATOM 3773 CD2 LEU B 128 69.955 13.297 -7.439 1.00 59.75 C +ATOM 3774 N VAL B 129 73.390 14.851 -11.354 1.00 60.51 N +ATOM 3775 CA VAL B 129 74.763 14.654 -11.800 1.00 60.86 C +ATOM 3776 C VAL B 129 75.576 15.850 -11.308 1.00 60.78 C +ATOM 3777 O VAL B 129 76.688 15.674 -10.781 1.00 60.70 O +ATOM 3778 CB VAL B 129 74.840 14.554 -13.335 1.00 60.77 C +ATOM 3779 CG1 VAL B 129 76.256 14.216 -13.761 1.00 60.01 C +ATOM 3780 CG2 VAL B 129 73.877 13.485 -13.826 1.00 61.40 C +ATOM 3781 N VAL B 130 75.007 17.048 -11.470 1.00 60.08 N +ATOM 3782 CA VAL B 130 75.638 18.284 -11.025 1.00 59.51 C +ATOM 3783 C VAL B 130 76.024 18.113 -9.578 1.00 60.71 C +ATOM 3784 O VAL B 130 77.044 18.630 -9.161 1.00 60.96 O +ATOM 3785 CB VAL B 130 74.668 19.490 -11.156 1.00 58.66 C +ATOM 3786 CG1 VAL B 130 75.221 20.700 -10.438 1.00 57.69 C +ATOM 3787 CG2 VAL B 130 74.453 19.822 -12.617 1.00 57.75 C +ATOM 3788 N LEU B 131 75.214 17.373 -8.825 1.00 61.63 N +ATOM 3789 CA LEU B 131 75.469 17.114 -7.412 1.00 62.70 C +ATOM 3790 C LEU B 131 76.498 16.034 -7.258 1.00 64.00 C +ATOM 3791 O LEU B 131 77.316 16.126 -6.352 1.00 64.67 O +ATOM 3792 CB LEU B 131 74.194 16.663 -6.697 1.00 62.19 C +ATOM 3793 CG LEU B 131 73.292 17.680 -5.999 1.00 61.40 C +ATOM 3794 CD1 LEU B 131 72.904 18.762 -6.954 1.00 61.57 C +ATOM 3795 CD2 LEU B 131 72.058 16.977 -5.476 1.00 62.06 C +ATOM 3796 N ALA B 132 76.440 15.003 -8.103 1.00 65.38 N +ATOM 3797 CA ALA B 132 77.400 13.898 -8.044 1.00 67.00 C +ATOM 3798 C ALA B 132 78.768 14.505 -8.164 1.00 68.20 C +ATOM 3799 O ALA B 132 79.672 14.180 -7.404 1.00 68.23 O +ATOM 3800 CB ALA B 132 77.162 12.914 -9.194 1.00 66.00 C +ATOM 3801 N ILE B 133 78.886 15.425 -9.113 1.00 69.31 N +ATOM 3802 CA ILE B 133 80.127 16.122 -9.379 1.00 70.50 C +ATOM 3803 C ILE B 133 80.533 16.989 -8.212 1.00 71.32 C +ATOM 3804 O ILE B 133 81.528 16.690 -7.562 1.00 71.59 O +ATOM 3805 CB ILE B 133 79.984 16.958 -10.665 1.00 70.37 C +ATOM 3806 CG1 ILE B 133 79.882 15.996 -11.843 1.00 70.18 C +ATOM 3807 CG2 ILE B 133 81.141 17.927 -10.824 1.00 70.46 C +ATOM 3808 CD1 ILE B 133 80.731 14.716 -11.657 1.00 70.12 C +ATOM 3809 N GLU B 134 79.778 18.046 -7.939 1.00 71.74 N +ATOM 3810 CA GLU B 134 80.105 18.931 -6.840 1.00 72.45 C +ATOM 3811 C GLU B 134 80.445 18.126 -5.617 1.00 73.34 C +ATOM 3812 O GLU B 134 81.281 18.542 -4.842 1.00 73.42 O +ATOM 3813 CB GLU B 134 78.936 19.862 -6.543 1.00 72.72 C +ATOM 3814 CG GLU B 134 79.248 20.933 -5.505 1.00 74.79 C +ATOM 3815 CD GLU B 134 78.844 20.542 -4.083 1.00 76.27 C +ATOM 3816 OE1 GLU B 134 79.077 19.374 -3.688 1.00 76.86 O +ATOM 3817 OE2 GLU B 134 78.301 21.413 -3.354 1.00 76.74 O +ATOM 3818 N ARG B 135 79.815 16.970 -5.449 1.00 74.44 N +ATOM 3819 CA ARG B 135 80.064 16.116 -4.285 1.00 75.76 C +ATOM 3820 C ARG B 135 81.461 15.521 -4.352 1.00 77.06 C +ATOM 3821 O ARG B 135 82.149 15.448 -3.343 1.00 77.47 O +ATOM 3822 CB ARG B 135 79.041 14.980 -4.238 1.00 75.53 C +ATOM 3823 CG ARG B 135 78.754 14.461 -2.850 1.00 75.10 C +ATOM 3824 CD ARG B 135 77.658 15.281 -2.221 1.00 75.52 C +ATOM 3825 NE ARG B 135 77.945 16.719 -2.207 1.00 74.97 N +ATOM 3826 CZ ARG B 135 78.592 17.357 -1.230 1.00 74.59 C +ATOM 3827 NH1 ARG B 135 79.040 16.686 -0.172 1.00 73.76 N +ATOM 3828 NH2 ARG B 135 78.761 18.674 -1.291 1.00 73.72 N +ATOM 3829 N TYR B 136 81.857 15.077 -5.541 1.00 78.40 N +ATOM 3830 CA TYR B 136 83.168 14.469 -5.781 1.00 79.94 C +ATOM 3831 C TYR B 136 84.235 15.536 -5.737 1.00 81.06 C +ATOM 3832 O TYR B 136 85.385 15.258 -5.431 1.00 80.63 O +ATOM 3833 CB TYR B 136 83.179 13.807 -7.158 1.00 80.04 C +ATOM 3834 CG TYR B 136 84.545 13.383 -7.631 1.00 80.27 C +ATOM 3835 CD1 TYR B 136 85.087 12.161 -7.242 1.00 80.16 C +ATOM 3836 CD2 TYR B 136 85.303 14.215 -8.456 1.00 80.24 C +ATOM 3837 CE1 TYR B 136 86.358 11.768 -7.666 1.00 80.76 C +ATOM 3838 CE2 TYR B 136 86.575 13.839 -8.887 1.00 80.79 C +ATOM 3839 CZ TYR B 136 87.103 12.610 -8.489 1.00 81.36 C +ATOM 3840 OH TYR B 136 88.369 12.233 -8.907 1.00 81.70 O +ATOM 3841 N VAL B 137 83.839 16.757 -6.061 1.00 82.25 N +ATOM 3842 CA VAL B 137 84.741 17.894 -6.080 1.00 83.70 C +ATOM 3843 C VAL B 137 84.997 18.413 -4.666 1.00 84.55 C +ATOM 3844 O VAL B 137 85.914 19.213 -4.477 1.00 84.48 O +ATOM 3845 CB VAL B 137 84.151 19.032 -6.955 1.00 84.01 C +ATOM 3846 CG1 VAL B 137 85.065 20.253 -6.938 1.00 84.71 C +ATOM 3847 CG2 VAL B 137 83.954 18.527 -8.375 1.00 84.24 C +ATOM 3848 N VAL B 138 84.206 17.983 -3.683 1.00 85.26 N +ATOM 3849 CA VAL B 138 84.423 18.446 -2.313 1.00 86.33 C +ATOM 3850 C VAL B 138 84.890 17.305 -1.457 1.00 87.18 C +ATOM 3851 O VAL B 138 85.557 17.518 -0.469 1.00 87.36 O +ATOM 3852 CB VAL B 138 83.145 19.046 -1.676 1.00 85.58 C +ATOM 3853 CG1 VAL B 138 82.598 20.160 -2.551 1.00 85.24 C +ATOM 3854 CG2 VAL B 138 82.118 17.958 -1.444 1.00 85.70 C +ATOM 3855 N VAL B 139 84.550 16.087 -1.834 1.00 89.01 N +ATOM 3856 CA VAL B 139 84.967 14.949 -1.043 1.00 91.63 C +ATOM 3857 C VAL B 139 86.272 14.398 -1.552 1.00 93.94 C +ATOM 3858 O VAL B 139 87.103 13.999 -0.751 1.00 94.17 O +ATOM 3859 CB VAL B 139 83.911 13.851 -1.067 1.00 91.61 C +ATOM 3860 CG1 VAL B 139 84.461 12.593 -0.420 1.00 91.25 C +ATOM 3861 CG2 VAL B 139 82.663 14.335 -0.350 1.00 91.25 C +ATOM 3862 N CYS B 140 86.454 14.365 -2.870 1.00 96.68 N +ATOM 3863 CA CYS B 140 87.697 13.853 -3.464 1.00 99.52 C +ATOM 3864 C CYS B 140 88.534 15.014 -3.998 1.00100.85 C +ATOM 3865 O CYS B 140 89.507 14.782 -4.725 1.00101.16 O +ATOM 3866 CB CYS B 140 87.392 12.874 -4.613 1.00 99.59 C +ATOM 3867 SG CYS B 140 86.499 11.357 -4.144 1.00103.41 S +ATOM 3868 N LYS B 141 88.144 16.237 -3.632 1.00102.72 N +ATOM 3869 CA LYS B 141 88.794 17.490 -4.043 1.00104.27 C +ATOM 3870 C LYS B 141 90.020 17.278 -4.931 1.00105.81 C +ATOM 3871 O LYS B 141 91.137 17.160 -4.409 1.00105.60 O +ATOM 3872 CB LYS B 141 89.206 18.314 -2.810 1.00103.93 C +ATOM 3873 CG LYS B 141 89.751 19.694 -3.170 1.00103.47 C +ATOM 3874 CD LYS B 141 90.298 20.448 -1.978 1.00103.18 C +ATOM 3875 CE LYS B 141 90.938 21.749 -2.442 1.00103.14 C +ATOM 3876 NZ LYS B 141 91.606 22.489 -1.336 1.00102.55 N +ATOM 3877 N PRO B 142 89.836 17.218 -6.271 1.00107.35 N +ATOM 3878 CA PRO B 142 90.982 17.023 -7.177 1.00108.24 C +ATOM 3879 C PRO B 142 91.756 18.332 -7.414 1.00109.19 C +ATOM 3880 O PRO B 142 92.736 18.348 -8.177 1.00109.27 O +ATOM 3881 CB PRO B 142 90.330 16.497 -8.465 1.00108.13 C +ATOM 3882 CG PRO B 142 89.037 15.885 -7.990 1.00108.10 C +ATOM 3883 CD PRO B 142 88.576 16.906 -6.971 1.00107.73 C +ATOM 3884 N MET B 143 91.321 19.407 -6.755 1.00109.88 N +ATOM 3885 CA MET B 143 91.951 20.715 -6.906 1.00110.66 C +ATOM 3886 C MET B 143 92.843 21.078 -5.741 1.00110.94 C +ATOM 3887 O MET B 143 93.114 20.246 -4.866 1.00110.90 O +ATOM 3888 CB MET B 143 90.888 21.800 -7.106 1.00110.60 C +ATOM 3889 CG MET B 143 90.997 22.459 -8.463 1.00111.70 C +ATOM 3890 SD MET B 143 91.060 21.202 -9.763 1.00114.92 S +ATOM 3891 CE MET B 143 92.889 20.868 -9.920 1.00113.69 C +ATOM 3892 N SER B 144 93.296 22.333 -5.743 1.00111.23 N +ATOM 3893 CA SER B 144 94.187 22.858 -4.712 1.00110.88 C +ATOM 3894 C SER B 144 93.452 23.856 -3.823 1.00110.57 C +ATOM 3895 O SER B 144 93.318 23.621 -2.621 1.00110.06 O +ATOM 3896 CB SER B 144 95.405 23.515 -5.377 1.00110.81 C +ATOM 3897 OG SER B 144 96.072 22.595 -6.234 1.00110.12 O +ATOM 3898 N ASN B 145 92.992 24.963 -4.396 1.00110.25 N +ATOM 3899 CA ASN B 145 92.256 25.967 -3.624 1.00110.00 C +ATOM 3900 C ASN B 145 91.039 26.402 -4.417 1.00109.75 C +ATOM 3901 O ASN B 145 90.620 27.568 -4.333 1.00109.60 O +ATOM 3902 CB ASN B 145 93.154 27.172 -3.302 1.00110.02 C +ATOM 3903 CG ASN B 145 93.635 27.897 -4.549 1.00110.33 C +ATOM 3904 OD1 ASN B 145 93.981 27.267 -5.553 1.00110.29 O +ATOM 3905 ND2 ASN B 145 93.673 29.227 -4.485 1.00109.94 N +ATOM 3906 N PHE B 146 90.478 25.454 -5.174 1.00109.42 N +ATOM 3907 CA PHE B 146 89.294 25.672 -6.013 1.00108.67 C +ATOM 3908 C PHE B 146 88.010 25.617 -5.180 1.00108.03 C +ATOM 3909 O PHE B 146 87.764 24.632 -4.468 1.00107.98 O +ATOM 3910 CB PHE B 146 89.231 24.614 -7.125 1.00108.64 C +ATOM 3911 CG PHE B 146 87.982 24.684 -7.956 1.00108.64 C +ATOM 3912 CD1 PHE B 146 87.708 25.809 -8.734 1.00108.92 C +ATOM 3913 CD2 PHE B 146 87.056 23.645 -7.925 1.00108.65 C +ATOM 3914 CE1 PHE B 146 86.524 25.899 -9.469 1.00108.81 C +ATOM 3915 CE2 PHE B 146 85.868 23.728 -8.657 1.00108.57 C +ATOM 3916 CZ PHE B 146 85.601 24.854 -9.429 1.00108.28 C +ATOM 3917 N ARG B 147 87.196 26.668 -5.280 1.00106.70 N +ATOM 3918 CA ARG B 147 85.945 26.737 -4.542 1.00104.93 C +ATOM 3919 C ARG B 147 84.796 26.794 -5.538 1.00103.60 C +ATOM 3920 O ARG B 147 84.828 27.598 -6.476 1.00103.78 O +ATOM 3921 CB ARG B 147 85.938 27.977 -3.640 1.00105.05 C +ATOM 3922 CG ARG B 147 85.148 27.821 -2.348 1.00105.06 C +ATOM 3923 CD ARG B 147 84.666 29.175 -1.880 1.00105.19 C +ATOM 3924 NE ARG B 147 83.647 29.712 -2.779 1.00105.49 N +ATOM 3925 CZ ARG B 147 83.276 30.987 -2.823 1.00105.59 C +ATOM 3926 NH1 ARG B 147 83.844 31.874 -2.022 1.00105.47 N +ATOM 3927 NH2 ARG B 147 82.331 31.377 -3.667 1.00105.33 N +ATOM 3928 N PHE B 148 83.799 25.935 -5.330 1.00101.49 N +ATOM 3929 CA PHE B 148 82.617 25.837 -6.184 1.00 99.08 C +ATOM 3930 C PHE B 148 81.685 27.002 -5.902 1.00 97.12 C +ATOM 3931 O PHE B 148 80.598 26.804 -5.371 1.00 96.91 O +ATOM 3932 CB PHE B 148 81.906 24.523 -5.882 1.00 99.99 C +ATOM 3933 CG PHE B 148 81.304 23.860 -7.083 1.00101.11 C +ATOM 3934 CD1 PHE B 148 80.194 24.410 -7.731 1.00101.15 C +ATOM 3935 CD2 PHE B 148 81.836 22.660 -7.556 1.00101.67 C +ATOM 3936 CE1 PHE B 148 79.616 23.767 -8.837 1.00101.78 C +ATOM 3937 CE2 PHE B 148 81.270 22.006 -8.660 1.00102.18 C +ATOM 3938 CZ PHE B 148 80.155 22.563 -9.303 1.00102.35 C +ATOM 3939 N GLY B 149 82.100 28.210 -6.263 1.00 94.93 N +ATOM 3940 CA GLY B 149 81.280 29.378 -6.001 1.00 92.49 C +ATOM 3941 C GLY B 149 79.882 29.345 -6.582 1.00 90.78 C +ATOM 3942 O GLY B 149 79.498 28.407 -7.277 1.00 89.89 O +ATOM 3943 N GLU B 150 79.118 30.390 -6.278 1.00 89.80 N +ATOM 3944 CA GLU B 150 77.757 30.527 -6.775 1.00 89.02 C +ATOM 3945 C GLU B 150 77.791 30.524 -8.289 1.00 88.54 C +ATOM 3946 O GLU B 150 76.829 30.093 -8.923 1.00 89.00 O +ATOM 3947 CB GLU B 150 77.125 31.835 -6.265 1.00 88.70 C +ATOM 3948 CG GLU B 150 76.764 31.817 -4.775 1.00 88.48 C +ATOM 3949 CD GLU B 150 76.220 33.149 -4.250 1.00 88.72 C +ATOM 3950 OE1 GLU B 150 75.201 33.653 -4.780 1.00 88.77 O +ATOM 3951 OE2 GLU B 150 76.812 33.690 -3.288 1.00 88.60 O +ATOM 3952 N ASN B 151 78.898 30.988 -8.868 1.00 87.87 N +ATOM 3953 CA ASN B 151 79.032 31.034 -10.321 1.00 86.84 C +ATOM 3954 C ASN B 151 79.012 29.625 -10.910 1.00 85.29 C +ATOM 3955 O ASN B 151 78.344 29.406 -11.910 1.00 85.15 O +ATOM 3956 CB ASN B 151 80.312 31.793 -10.734 1.00 87.84 C +ATOM 3957 CG ASN B 151 81.602 31.090 -10.301 1.00 88.88 C +ATOM 3958 OD1 ASN B 151 81.931 31.023 -9.110 1.00 89.41 O +ATOM 3959 ND2 ASN B 151 82.342 30.571 -11.280 1.00 89.30 N +ATOM 3960 N HIS B 152 79.716 28.674 -10.308 1.00 83.42 N +ATOM 3961 CA HIS B 152 79.690 27.320 -10.839 1.00 82.01 C +ATOM 3962 C HIS B 152 78.291 26.742 -10.636 1.00 80.87 C +ATOM 3963 O HIS B 152 77.910 25.791 -11.320 1.00 81.00 O +ATOM 3964 CB HIS B 152 80.705 26.434 -10.124 1.00 82.54 C +ATOM 3965 CG HIS B 152 82.118 26.916 -10.219 1.00 84.10 C +ATOM 3966 ND1 HIS B 152 82.583 28.012 -9.519 1.00 84.53 N +ATOM 3967 CD2 HIS B 152 83.176 26.440 -10.918 1.00 84.36 C +ATOM 3968 CE1 HIS B 152 83.866 28.187 -9.783 1.00 84.66 C +ATOM 3969 NE2 HIS B 152 84.251 27.247 -10.629 1.00 84.63 N +ATOM 3970 N ALA B 153 77.533 27.318 -9.702 1.00 79.31 N +ATOM 3971 CA ALA B 153 76.183 26.859 -9.398 1.00 77.11 C +ATOM 3972 C ALA B 153 75.207 27.300 -10.459 1.00 75.93 C +ATOM 3973 O ALA B 153 74.397 26.492 -10.868 1.00 76.24 O +ATOM 3974 CB ALA B 153 75.745 27.374 -8.043 1.00 77.42 C +ATOM 3975 N ILE B 154 75.252 28.555 -10.899 1.00 74.12 N +ATOM 3976 CA ILE B 154 74.319 28.997 -11.936 1.00 73.22 C +ATOM 3977 C ILE B 154 74.639 28.280 -13.232 1.00 73.20 C +ATOM 3978 O ILE B 154 73.786 28.199 -14.116 1.00 73.33 O +ATOM 3979 CB ILE B 154 74.388 30.526 -12.180 1.00 72.59 C +ATOM 3980 CG1 ILE B 154 73.772 31.277 -11.005 1.00 72.16 C +ATOM 3981 CG2 ILE B 154 73.616 30.899 -13.437 1.00 72.34 C +ATOM 3982 CD1 ILE B 154 74.514 31.122 -9.714 1.00 71.82 C +ATOM 3983 N MET B 155 75.860 27.764 -13.345 1.00 73.19 N +ATOM 3984 CA MET B 155 76.281 27.034 -14.536 1.00 73.35 C +ATOM 3985 C MET B 155 75.629 25.679 -14.515 1.00 72.54 C +ATOM 3986 O MET B 155 74.899 25.347 -15.450 1.00 72.64 O +ATOM 3987 CB MET B 155 77.804 26.871 -14.567 1.00 75.15 C +ATOM 3988 CG MET B 155 78.578 28.184 -14.708 1.00 77.34 C +ATOM 3989 SD MET B 155 78.201 29.097 -16.239 1.00 81.84 S +ATOM 3990 CE MET B 155 76.671 30.038 -15.807 1.00 80.36 C +ATOM 3991 N GLY B 156 75.892 24.908 -13.457 1.00 71.54 N +ATOM 3992 CA GLY B 156 75.303 23.583 -13.299 1.00 70.35 C +ATOM 3993 C GLY B 156 73.778 23.596 -13.273 1.00 69.43 C +ATOM 3994 O GLY B 156 73.148 22.550 -13.369 1.00 70.07 O +ATOM 3995 N VAL B 157 73.192 24.782 -13.115 1.00 68.04 N +ATOM 3996 CA VAL B 157 71.747 24.951 -13.116 1.00 66.73 C +ATOM 3997 C VAL B 157 71.305 25.036 -14.557 1.00 66.37 C +ATOM 3998 O VAL B 157 70.538 24.199 -15.029 1.00 67.31 O +ATOM 3999 CB VAL B 157 71.323 26.246 -12.368 1.00 66.10 C +ATOM 4000 CG1 VAL B 157 69.987 26.744 -12.876 1.00 66.10 C +ATOM 4001 CG2 VAL B 157 71.205 25.966 -10.886 1.00 66.01 C +ATOM 4002 N ALA B 158 71.795 26.043 -15.265 1.00 65.47 N +ATOM 4003 CA ALA B 158 71.442 26.219 -16.668 1.00 63.81 C +ATOM 4004 C ALA B 158 71.760 24.950 -17.438 1.00 62.88 C +ATOM 4005 O ALA B 158 71.041 24.601 -18.369 1.00 62.61 O +ATOM 4006 CB ALA B 158 72.209 27.388 -17.245 1.00 63.44 C +ATOM 4007 N PHE B 159 72.828 24.266 -17.042 1.00 61.95 N +ATOM 4008 CA PHE B 159 73.253 23.029 -17.689 1.00 61.73 C +ATOM 4009 C PHE B 159 72.156 21.999 -17.655 1.00 62.20 C +ATOM 4010 O PHE B 159 71.970 21.276 -18.644 1.00 62.46 O +ATOM 4011 CB PHE B 159 74.464 22.464 -16.971 1.00 61.30 C +ATOM 4012 CG PHE B 159 74.670 21.009 -17.205 1.00 61.05 C +ATOM 4013 CD1 PHE B 159 75.151 20.549 -18.421 1.00 61.61 C +ATOM 4014 CD2 PHE B 159 74.398 20.095 -16.202 1.00 61.27 C +ATOM 4015 CE1 PHE B 159 75.364 19.191 -18.633 1.00 61.86 C +ATOM 4016 CE2 PHE B 159 74.606 18.740 -16.401 1.00 61.73 C +ATOM 4017 CZ PHE B 159 75.093 18.283 -17.621 1.00 61.87 C +ATOM 4018 N THR B 160 71.461 21.915 -16.518 1.00 62.23 N +ATOM 4019 CA THR B 160 70.371 20.959 -16.326 1.00 61.17 C +ATOM 4020 C THR B 160 69.185 21.340 -17.207 1.00 60.77 C +ATOM 4021 O THR B 160 68.516 20.445 -17.741 1.00 61.01 O +ATOM 4022 CB THR B 160 69.921 20.860 -14.814 1.00 60.78 C +ATOM 4023 OG1 THR B 160 69.398 22.116 -14.362 1.00 59.48 O +ATOM 4024 CG2 THR B 160 71.080 20.449 -13.932 1.00 58.97 C +ATOM 4025 N TRP B 161 68.929 22.637 -17.375 1.00 59.54 N +ATOM 4026 CA TRP B 161 67.822 23.065 -18.218 1.00 59.00 C +ATOM 4027 C TRP B 161 68.132 22.836 -19.670 1.00 58.54 C +ATOM 4028 O TRP B 161 67.233 22.755 -20.481 1.00 58.36 O +ATOM 4029 CB TRP B 161 67.523 24.538 -18.022 1.00 59.01 C +ATOM 4030 CG TRP B 161 66.728 24.833 -16.807 1.00 59.58 C +ATOM 4031 CD1 TRP B 161 67.203 25.033 -15.541 1.00 59.70 C +ATOM 4032 CD2 TRP B 161 65.298 24.973 -16.731 1.00 59.58 C +ATOM 4033 NE1 TRP B 161 66.157 25.294 -14.682 1.00 59.93 N +ATOM 4034 CE2 TRP B 161 64.977 25.261 -15.385 1.00 59.50 C +ATOM 4035 CE3 TRP B 161 64.256 24.882 -17.670 1.00 59.55 C +ATOM 4036 CZ2 TRP B 161 63.656 25.460 -14.954 1.00 59.09 C +ATOM 4037 CZ3 TRP B 161 62.944 25.081 -17.239 1.00 59.15 C +ATOM 4038 CH2 TRP B 161 62.658 25.367 -15.891 1.00 58.63 C +ATOM 4039 N VAL B 162 69.405 22.746 -20.007 1.00 58.33 N +ATOM 4040 CA VAL B 162 69.777 22.540 -21.391 1.00 58.39 C +ATOM 4041 C VAL B 162 69.592 21.116 -21.745 1.00 58.20 C +ATOM 4042 O VAL B 162 69.190 20.808 -22.848 1.00 58.48 O +ATOM 4043 CB VAL B 162 71.228 22.891 -21.632 1.00 58.48 C +ATOM 4044 CG1 VAL B 162 71.592 22.581 -23.073 1.00 58.80 C +ATOM 4045 CG2 VAL B 162 71.455 24.352 -21.315 1.00 58.25 C +ATOM 4046 N MET B 163 69.915 20.242 -20.809 1.00 58.22 N +ATOM 4047 CA MET B 163 69.770 18.820 -21.030 1.00 58.32 C +ATOM 4048 C MET B 163 68.302 18.475 -21.000 1.00 58.09 C +ATOM 4049 O MET B 163 67.789 17.866 -21.946 1.00 57.55 O +ATOM 4050 CB MET B 163 70.514 18.068 -19.940 1.00 59.37 C +ATOM 4051 CG MET B 163 71.942 18.512 -19.812 1.00 61.29 C +ATOM 4052 SD MET B 163 72.697 18.501 -21.439 1.00 63.76 S +ATOM 4053 CE MET B 163 73.150 16.725 -21.561 1.00 61.63 C +ATOM 4054 N ALA B 164 67.628 18.872 -19.923 1.00 57.80 N +ATOM 4055 CA ALA B 164 66.207 18.614 -19.767 1.00 57.12 C +ATOM 4056 C ALA B 164 65.489 19.000 -21.032 1.00 57.07 C +ATOM 4057 O ALA B 164 64.724 18.207 -21.555 1.00 57.66 O +ATOM 4058 CB ALA B 164 65.668 19.395 -18.599 1.00 56.94 C +ATOM 4059 N LEU B 165 65.736 20.202 -21.538 1.00 56.64 N +ATOM 4060 CA LEU B 165 65.079 20.641 -22.764 1.00 56.57 C +ATOM 4061 C LEU B 165 65.476 19.768 -23.938 1.00 57.00 C +ATOM 4062 O LEU B 165 64.627 19.422 -24.772 1.00 57.14 O +ATOM 4063 CB LEU B 165 65.424 22.095 -23.083 1.00 56.17 C +ATOM 4064 CG LEU B 165 64.533 23.194 -22.498 1.00 56.12 C +ATOM 4065 CD1 LEU B 165 63.089 22.996 -22.930 1.00 56.19 C +ATOM 4066 CD2 LEU B 165 64.629 23.164 -21.005 1.00 56.80 C +ATOM 4067 N ALA B 166 66.756 19.419 -24.009 1.00 57.06 N +ATOM 4068 CA ALA B 166 67.267 18.590 -25.091 1.00 56.94 C +ATOM 4069 C ALA B 166 66.391 17.376 -25.243 1.00 57.31 C +ATOM 4070 O ALA B 166 66.284 16.832 -26.339 1.00 57.71 O +ATOM 4071 CB ALA B 166 68.692 18.170 -24.796 1.00 56.58 C +ATOM 4072 N CYS B 167 65.766 16.947 -24.152 1.00 57.16 N +ATOM 4073 CA CYS B 167 64.891 15.784 -24.193 1.00 56.50 C +ATOM 4074 C CYS B 167 63.429 16.213 -24.247 1.00 53.96 C +ATOM 4075 O CYS B 167 62.704 15.869 -25.162 1.00 54.85 O +ATOM 4076 CB CYS B 167 65.123 14.914 -22.961 1.00 57.65 C +ATOM 4077 SG CYS B 167 65.001 13.151 -23.339 1.00 65.91 S +ATOM 4078 N ALA B 168 63.003 16.997 -23.280 1.00 50.94 N +ATOM 4079 CA ALA B 168 61.620 17.400 -23.229 1.00 47.82 C +ATOM 4080 C ALA B 168 61.176 18.125 -24.453 1.00 46.75 C +ATOM 4081 O ALA B 168 60.011 18.038 -24.793 1.00 46.22 O +ATOM 4082 CB ALA B 168 61.383 18.271 -22.001 1.00 47.18 C +ATOM 4083 N ALA B 169 62.081 18.795 -25.149 1.00 46.10 N +ATOM 4084 CA ALA B 169 61.660 19.637 -26.267 1.00 45.95 C +ATOM 4085 C ALA B 169 61.474 18.980 -27.645 1.00 45.99 C +ATOM 4086 O ALA B 169 60.486 19.285 -28.338 1.00 46.82 O +ATOM 4087 CB ALA B 169 62.599 20.821 -26.366 1.00 45.44 C +ATOM 4088 N PRO B 170 62.391 18.102 -28.074 1.00 45.14 N +ATOM 4089 CA PRO B 170 62.268 17.451 -29.388 1.00 44.74 C +ATOM 4090 C PRO B 170 60.878 16.957 -29.790 1.00 45.38 C +ATOM 4091 O PRO B 170 60.393 17.297 -30.864 1.00 45.35 O +ATOM 4092 CB PRO B 170 63.283 16.316 -29.302 1.00 44.81 C +ATOM 4093 CG PRO B 170 64.355 16.903 -28.444 1.00 44.48 C +ATOM 4094 CD PRO B 170 63.572 17.604 -27.347 1.00 45.28 C +ATOM 4095 N PRO B 171 60.229 16.142 -28.942 1.00 45.35 N +ATOM 4096 CA PRO B 171 58.895 15.605 -29.225 1.00 44.98 C +ATOM 4097 C PRO B 171 57.894 16.647 -29.613 1.00 45.38 C +ATOM 4098 O PRO B 171 56.836 16.323 -30.140 1.00 46.10 O +ATOM 4099 CB PRO B 171 58.520 14.915 -27.918 1.00 44.99 C +ATOM 4100 CG PRO B 171 59.832 14.405 -27.431 1.00 45.11 C +ATOM 4101 CD PRO B 171 60.735 15.605 -27.662 1.00 46.00 C +ATOM 4102 N LEU B 172 58.218 17.903 -29.361 1.00 45.31 N +ATOM 4103 CA LEU B 172 57.288 18.975 -29.685 1.00 45.50 C +ATOM 4104 C LEU B 172 57.602 19.574 -31.040 1.00 46.13 C +ATOM 4105 O LEU B 172 56.775 20.313 -31.593 1.00 45.47 O +ATOM 4106 CB LEU B 172 57.368 20.080 -28.622 1.00 44.53 C +ATOM 4107 CG LEU B 172 56.989 19.764 -27.172 1.00 43.81 C +ATOM 4108 CD1 LEU B 172 57.693 20.731 -26.258 1.00 43.18 C +ATOM 4109 CD2 LEU B 172 55.482 19.827 -26.989 1.00 42.67 C +ATOM 4110 N VAL B 173 58.774 19.256 -31.587 1.00 46.88 N +ATOM 4111 CA VAL B 173 59.189 19.846 -32.858 1.00 47.45 C +ATOM 4112 C VAL B 173 59.458 18.805 -33.925 1.00 48.22 C +ATOM 4113 O VAL B 173 60.314 18.999 -34.788 1.00 49.12 O +ATOM 4114 CB VAL B 173 60.444 20.688 -32.653 1.00 46.35 C +ATOM 4115 CG1 VAL B 173 60.207 21.696 -31.552 1.00 46.04 C +ATOM 4116 CG2 VAL B 173 61.599 19.793 -32.295 1.00 45.95 C +ATOM 4117 N GLY B 174 58.757 17.687 -33.875 1.00 48.25 N +ATOM 4118 CA GLY B 174 58.973 16.722 -34.918 1.00 47.47 C +ATOM 4119 C GLY B 174 59.863 15.551 -34.622 1.00 47.36 C +ATOM 4120 O GLY B 174 59.955 14.662 -35.444 1.00 48.62 O +ATOM 4121 N TRP B 175 60.562 15.531 -33.502 1.00 46.58 N +ATOM 4122 CA TRP B 175 61.346 14.332 -33.246 1.00 46.60 C +ATOM 4123 C TRP B 175 60.661 13.589 -32.129 1.00 47.06 C +ATOM 4124 O TRP B 175 60.674 14.042 -30.975 1.00 48.05 O +ATOM 4125 CB TRP B 175 62.782 14.644 -32.882 1.00 46.46 C +ATOM 4126 CG TRP B 175 63.608 13.396 -32.860 1.00 46.73 C +ATOM 4127 CD1 TRP B 175 63.265 12.169 -33.377 1.00 47.32 C +ATOM 4128 CD2 TRP B 175 64.919 13.246 -32.305 1.00 46.29 C +ATOM 4129 NE1 TRP B 175 64.288 11.265 -33.172 1.00 47.24 N +ATOM 4130 CE2 TRP B 175 65.314 11.899 -32.518 1.00 46.38 C +ATOM 4131 CE3 TRP B 175 65.802 14.116 -31.647 1.00 45.30 C +ATOM 4132 CZ2 TRP B 175 66.554 11.405 -32.094 1.00 46.30 C +ATOM 4133 CZ3 TRP B 175 67.032 13.624 -31.228 1.00 46.14 C +ATOM 4134 CH2 TRP B 175 67.398 12.277 -31.454 1.00 45.90 C +ATOM 4135 N SER B 176 60.069 12.449 -32.485 1.00 45.75 N +ATOM 4136 CA SER B 176 59.282 11.645 -31.567 1.00 43.44 C +ATOM 4137 C SER B 176 58.023 12.447 -31.282 1.00 42.80 C +ATOM 4138 O SER B 176 57.782 13.472 -31.947 1.00 42.47 O +ATOM 4139 CB SER B 176 60.041 11.371 -30.276 1.00 43.15 C +ATOM 4140 OG SER B 176 59.263 10.551 -29.427 1.00 43.42 O +ATOM 4141 N ARG B 177 57.226 12.016 -30.313 1.00 41.77 N +ATOM 4142 CA ARG B 177 55.994 12.736 -29.999 1.00 41.98 C +ATOM 4143 C ARG B 177 55.429 12.262 -28.666 1.00 42.33 C +ATOM 4144 O ARG B 177 55.776 11.160 -28.217 1.00 42.77 O +ATOM 4145 CB ARG B 177 54.965 12.505 -31.119 1.00 41.59 C +ATOM 4146 CG ARG B 177 54.625 11.036 -31.357 1.00 41.58 C +ATOM 4147 CD ARG B 177 53.617 10.852 -32.479 1.00 41.55 C +ATOM 4148 NE ARG B 177 53.148 9.471 -32.582 1.00 40.92 N +ATOM 4149 CZ ARG B 177 52.185 9.074 -33.409 1.00 41.68 C +ATOM 4150 NH1 ARG B 177 51.589 9.953 -34.211 1.00 42.24 N +ATOM 4151 NH2 ARG B 177 51.803 7.804 -33.424 1.00 41.18 N +ATOM 4152 N TYR B 178 54.592 13.085 -28.029 1.00 41.67 N +ATOM 4153 CA TYR B 178 53.963 12.709 -26.756 1.00 41.45 C +ATOM 4154 C TYR B 178 52.640 12.005 -27.093 1.00 42.14 C +ATOM 4155 O TYR B 178 51.908 12.458 -27.988 1.00 41.47 O +ATOM 4156 CB TYR B 178 53.731 13.950 -25.868 1.00 40.85 C +ATOM 4157 CG TYR B 178 55.008 14.542 -25.279 1.00 40.91 C +ATOM 4158 CD1 TYR B 178 55.777 13.822 -24.364 1.00 41.09 C +ATOM 4159 CD2 TYR B 178 55.481 15.800 -25.681 1.00 40.88 C +ATOM 4160 CE1 TYR B 178 56.987 14.336 -23.867 1.00 41.13 C +ATOM 4161 CE2 TYR B 178 56.699 16.316 -25.185 1.00 39.89 C +ATOM 4162 CZ TYR B 178 57.438 15.576 -24.282 1.00 40.28 C +ATOM 4163 OH TYR B 178 58.628 16.058 -23.790 1.00 41.77 O +ATOM 4164 N ILE B 179 52.338 10.903 -26.408 1.00 42.00 N +ATOM 4165 CA ILE B 179 51.114 10.140 -26.704 1.00 41.90 C +ATOM 4166 C ILE B 179 50.484 9.664 -25.399 1.00 41.68 C +ATOM 4167 O ILE B 179 51.201 9.400 -24.445 1.00 41.72 O +ATOM 4168 CB ILE B 179 51.464 8.925 -27.607 1.00 42.53 C +ATOM 4169 CG1 ILE B 179 50.223 8.402 -28.328 1.00 43.24 C +ATOM 4170 CG2 ILE B 179 52.108 7.823 -26.769 1.00 42.46 C +ATOM 4171 CD1 ILE B 179 50.565 7.362 -29.405 1.00 44.83 C +ATOM 4172 N PRO B 180 49.148 9.574 -25.332 1.00 41.01 N +ATOM 4173 CA PRO B 180 48.602 9.115 -24.048 1.00 40.71 C +ATOM 4174 C PRO B 180 48.990 7.710 -23.661 1.00 41.00 C +ATOM 4175 O PRO B 180 49.196 6.891 -24.560 1.00 41.64 O +ATOM 4176 CB PRO B 180 47.085 9.309 -24.210 1.00 40.70 C +ATOM 4177 CG PRO B 180 46.882 9.666 -25.678 1.00 41.08 C +ATOM 4178 CD PRO B 180 48.140 10.303 -26.118 1.00 40.43 C +ATOM 4179 N GLU B 181 49.111 7.440 -22.348 1.00 41.26 N +ATOM 4180 CA GLU B 181 49.481 6.111 -21.850 1.00 40.89 C +ATOM 4181 C GLU B 181 48.480 5.573 -20.839 1.00 40.44 C +ATOM 4182 O GLU B 181 47.718 6.337 -20.239 1.00 41.16 O +ATOM 4183 CB GLU B 181 50.849 6.151 -21.170 1.00 42.37 C +ATOM 4184 CG GLU B 181 51.968 6.837 -21.941 1.00 45.29 C +ATOM 4185 CD GLU B 181 53.348 6.533 -21.352 1.00 46.84 C +ATOM 4186 OE1 GLU B 181 53.803 5.376 -21.490 1.00 46.69 O +ATOM 4187 OE2 GLU B 181 53.973 7.441 -20.749 1.00 48.24 O +ATOM 4188 N GLY B 182 48.511 4.255 -20.651 1.00 39.20 N +ATOM 4189 CA GLY B 182 47.647 3.598 -19.689 1.00 38.63 C +ATOM 4190 C GLY B 182 46.174 3.829 -19.871 1.00 39.03 C +ATOM 4191 O GLY B 182 45.605 3.384 -20.852 1.00 40.62 O +ATOM 4192 N MET B 183 45.545 4.499 -18.913 1.00 39.32 N +ATOM 4193 CA MET B 183 44.121 4.790 -19.014 1.00 39.56 C +ATOM 4194 C MET B 183 43.926 6.007 -19.887 1.00 39.78 C +ATOM 4195 O MET B 183 42.836 6.561 -19.954 1.00 38.85 O +ATOM 4196 CB MET B 183 43.522 5.014 -17.632 1.00 39.27 C +ATOM 4197 CG MET B 183 43.300 3.725 -16.867 1.00 39.92 C +ATOM 4198 SD MET B 183 42.885 3.984 -15.132 1.00 41.91 S +ATOM 4199 CE MET B 183 44.223 3.182 -14.389 1.00 41.24 C +ATOM 4200 N GLN B 184 45.014 6.405 -20.543 1.00 41.25 N +ATOM 4201 CA GLN B 184 45.054 7.522 -21.484 1.00 42.23 C +ATOM 4202 C GLN B 184 44.820 8.846 -20.795 1.00 43.45 C +ATOM 4203 O GLN B 184 44.293 9.778 -21.414 1.00 43.82 O +ATOM 4204 CB GLN B 184 44.018 7.292 -22.588 1.00 41.47 C +ATOM 4205 CG GLN B 184 44.034 5.881 -23.157 1.00 39.79 C +ATOM 4206 CD GLN B 184 45.242 5.604 -24.014 1.00 39.93 C +ATOM 4207 OE1 GLN B 184 45.420 6.221 -25.036 1.00 41.05 O +ATOM 4208 NE2 GLN B 184 46.075 4.666 -23.593 1.00 39.70 N +ATOM 4209 N CYS B 185 45.219 8.946 -19.531 1.00 44.64 N +ATOM 4210 CA CYS B 185 45.032 10.188 -18.788 1.00 45.43 C +ATOM 4211 C CYS B 185 46.327 10.908 -18.578 1.00 44.21 C +ATOM 4212 O CYS B 185 46.322 12.005 -18.055 1.00 44.39 O +ATOM 4213 CB CYS B 185 44.349 9.923 -17.449 1.00 47.78 C +ATOM 4214 SG CYS B 185 42.553 9.633 -17.651 1.00 54.55 S +ATOM 4215 N SER B 186 47.429 10.285 -18.968 1.00 42.16 N +ATOM 4216 CA SER B 186 48.746 10.892 -18.878 1.00 40.81 C +ATOM 4217 C SER B 186 49.349 10.758 -20.253 1.00 40.78 C +ATOM 4218 O SER B 186 48.860 9.942 -21.025 1.00 40.26 O +ATOM 4219 CB SER B 186 49.619 10.175 -17.832 1.00 39.37 C +ATOM 4220 OG SER B 186 49.756 8.782 -18.093 1.00 39.11 O +ATOM 4221 N CYS B 187 50.375 11.545 -20.572 1.00 41.04 N +ATOM 4222 CA CYS B 187 51.040 11.474 -21.880 1.00 41.35 C +ATOM 4223 C CYS B 187 52.535 11.255 -21.716 1.00 41.21 C +ATOM 4224 O CYS B 187 53.141 11.811 -20.802 1.00 41.20 O +ATOM 4225 CB CYS B 187 50.760 12.756 -22.690 1.00 41.62 C +ATOM 4226 SG CYS B 187 49.233 12.555 -23.664 1.00 44.52 S +ATOM 4227 N GLY B 188 53.125 10.441 -22.587 1.00 41.11 N +ATOM 4228 CA GLY B 188 54.560 10.177 -22.512 1.00 41.46 C +ATOM 4229 C GLY B 188 55.218 10.060 -23.882 1.00 42.01 C +ATOM 4230 O GLY B 188 54.560 10.278 -24.904 1.00 41.83 O +ATOM 4231 N ILE B 189 56.526 9.795 -23.906 1.00 42.41 N +ATOM 4232 CA ILE B 189 57.250 9.637 -25.166 1.00 42.72 C +ATOM 4233 C ILE B 189 56.667 8.437 -25.890 1.00 44.23 C +ATOM 4234 O ILE B 189 56.233 7.494 -25.215 1.00 44.51 O +ATOM 4235 CB ILE B 189 58.740 9.432 -24.893 1.00 42.40 C +ATOM 4236 CG1 ILE B 189 59.359 10.765 -24.493 1.00 42.49 C +ATOM 4237 CG2 ILE B 189 59.424 8.841 -26.092 1.00 42.12 C +ATOM 4238 CD1 ILE B 189 59.071 11.894 -25.481 1.00 42.58 C +ATOM 4239 N ASP B 190 56.641 8.455 -27.228 1.00 45.02 N +ATOM 4240 CA ASP B 190 56.043 7.355 -28.019 1.00 45.47 C +ATOM 4241 C ASP B 190 56.890 6.060 -28.028 1.00 45.99 C +ATOM 4242 O ASP B 190 57.765 5.932 -28.888 1.00 46.95 O +ATOM 4243 CB ASP B 190 55.814 7.816 -29.467 1.00 44.58 C +ATOM 4244 CG ASP B 190 54.762 6.988 -30.181 1.00 44.18 C +ATOM 4245 OD1 ASP B 190 54.467 5.876 -29.703 1.00 44.74 O +ATOM 4246 OD2 ASP B 190 54.234 7.443 -31.222 1.00 44.55 O +ATOM 4247 N TYR B 191 56.625 5.119 -27.111 1.00 45.97 N +ATOM 4248 CA TYR B 191 57.359 3.847 -27.049 1.00 46.19 C +ATOM 4249 C TYR B 191 56.576 2.822 -27.828 1.00 47.13 C +ATOM 4250 O TYR B 191 57.096 1.788 -28.248 1.00 48.67 O +ATOM 4251 CB TYR B 191 57.448 3.323 -25.612 1.00 45.34 C +ATOM 4252 CG TYR B 191 57.689 4.372 -24.562 1.00 45.77 C +ATOM 4253 CD1 TYR B 191 58.863 5.132 -24.557 1.00 46.16 C +ATOM 4254 CD2 TYR B 191 56.732 4.637 -23.584 1.00 44.90 C +ATOM 4255 CE1 TYR B 191 59.072 6.140 -23.597 1.00 45.85 C +ATOM 4256 CE2 TYR B 191 56.935 5.645 -22.624 1.00 45.54 C +ATOM 4257 CZ TYR B 191 58.103 6.391 -22.642 1.00 44.99 C +ATOM 4258 OH TYR B 191 58.284 7.407 -21.743 1.00 45.89 O +ATOM 4259 N TYR B 192 55.312 3.142 -28.026 1.00 47.41 N +ATOM 4260 CA TYR B 192 54.363 2.250 -28.662 1.00 47.59 C +ATOM 4261 C TYR B 192 54.575 1.977 -30.144 1.00 48.19 C +ATOM 4262 O TYR B 192 54.751 0.812 -30.506 1.00 48.39 O +ATOM 4263 CB TYR B 192 52.953 2.785 -28.374 1.00 46.11 C +ATOM 4264 CG TYR B 192 52.781 3.013 -26.888 1.00 45.01 C +ATOM 4265 CD1 TYR B 192 53.216 4.199 -26.290 1.00 44.08 C +ATOM 4266 CD2 TYR B 192 52.278 1.998 -26.056 1.00 44.35 C +ATOM 4267 CE1 TYR B 192 53.158 4.368 -24.900 1.00 43.31 C +ATOM 4268 CE2 TYR B 192 52.220 2.160 -24.670 1.00 42.60 C +ATOM 4269 CZ TYR B 192 52.661 3.346 -24.106 1.00 42.28 C +ATOM 4270 OH TYR B 192 52.614 3.510 -22.749 1.00 40.84 O +ATOM 4271 N THR B 193 54.573 3.008 -30.982 1.00 48.24 N +ATOM 4272 CA THR B 193 54.682 2.821 -32.424 1.00 49.27 C +ATOM 4273 C THR B 193 56.014 3.264 -33.014 1.00 50.74 C +ATOM 4274 O THR B 193 56.761 4.037 -32.404 1.00 51.27 O +ATOM 4275 CB THR B 193 53.592 3.620 -33.138 1.00 48.83 C +ATOM 4276 OG1 THR B 193 53.880 5.016 -33.009 1.00 49.25 O +ATOM 4277 CG2 THR B 193 52.245 3.364 -32.509 1.00 49.14 C +ATOM 4278 N PRO B 194 56.336 2.754 -34.217 1.00 52.11 N +ATOM 4279 CA PRO B 194 57.583 3.127 -34.889 1.00 52.67 C +ATOM 4280 C PRO B 194 57.375 4.473 -35.617 1.00 53.38 C +ATOM 4281 O PRO B 194 58.339 5.190 -35.820 1.00 53.86 O +ATOM 4282 CB PRO B 194 57.806 1.973 -35.872 1.00 52.58 C +ATOM 4283 CG PRO B 194 57.042 0.822 -35.263 1.00 52.54 C +ATOM 4284 CD PRO B 194 55.795 1.508 -34.794 1.00 52.34 C +ATOM 4285 N HIS B 195 56.127 4.801 -35.974 1.00 53.47 N +ATOM 4286 CA HIS B 195 55.796 6.039 -36.693 1.00 53.72 C +ATOM 4287 C HIS B 195 57.064 6.620 -37.266 1.00 54.36 C +ATOM 4288 O HIS B 195 57.593 7.575 -36.717 1.00 54.38 O +ATOM 4289 CB HIS B 195 55.119 7.078 -35.768 1.00 53.18 C +ATOM 4290 CG HIS B 195 54.347 8.156 -36.496 1.00 53.59 C +ATOM 4291 ND1 HIS B 195 54.585 9.504 -36.309 1.00 54.30 N +ATOM 4292 CD2 HIS B 195 53.304 8.081 -37.362 1.00 54.32 C +ATOM 4293 CE1 HIS B 195 53.723 10.208 -37.023 1.00 53.66 C +ATOM 4294 NE2 HIS B 195 52.934 9.370 -37.671 1.00 53.30 N +ATOM 4295 N GLU B 196 57.572 6.011 -38.339 1.00 55.10 N +ATOM 4296 CA GLU B 196 58.789 6.491 -39.008 1.00 55.73 C +ATOM 4297 C GLU B 196 58.537 7.934 -39.408 1.00 56.20 C +ATOM 4298 O GLU B 196 59.456 8.746 -39.443 1.00 56.25 O +ATOM 4299 CB GLU B 196 59.095 5.642 -40.262 1.00 55.58 C +ATOM 4300 CG GLU B 196 59.437 4.172 -39.983 1.00 56.49 C +ATOM 4301 CD GLU B 196 59.219 3.267 -41.193 1.00 56.71 C +ATOM 4302 OE1 GLU B 196 59.577 3.679 -42.313 1.00 58.13 O +ATOM 4303 OE2 GLU B 196 58.699 2.139 -41.028 1.00 57.05 O +ATOM 4304 N GLU B 197 57.269 8.232 -39.682 1.00 56.56 N +ATOM 4305 CA GLU B 197 56.813 9.551 -40.086 1.00 57.50 C +ATOM 4306 C GLU B 197 57.378 10.582 -39.133 1.00 56.71 C +ATOM 4307 O GLU B 197 57.353 11.752 -39.450 1.00 57.60 O +ATOM 4308 CB GLU B 197 55.262 9.586 -40.064 1.00 60.98 C +ATOM 4309 CG GLU B 197 54.571 10.885 -40.574 1.00 66.23 C +ATOM 4310 CD GLU B 197 53.068 10.998 -40.157 1.00 70.37 C +ATOM 4311 OE1 GLU B 197 52.292 10.021 -40.347 1.00 71.94 O +ATOM 4312 OE2 GLU B 197 52.660 12.074 -39.642 1.00 72.00 O +ATOM 4313 N THR B 198 57.906 10.155 -37.986 1.00 55.69 N +ATOM 4314 CA THR B 198 58.413 11.103 -36.998 1.00 53.01 C +ATOM 4315 C THR B 198 59.633 10.564 -36.257 1.00 53.03 C +ATOM 4316 O THR B 198 60.024 11.125 -35.237 1.00 52.47 O +ATOM 4317 CB THR B 198 57.294 11.444 -36.001 1.00 51.88 C +ATOM 4318 OG1 THR B 198 57.607 12.668 -35.357 1.00 51.67 O +ATOM 4319 CG2 THR B 198 57.146 10.372 -34.951 1.00 50.77 C +ATOM 4320 N ASN B 199 60.216 9.486 -36.779 1.00 53.87 N +ATOM 4321 CA ASN B 199 61.407 8.848 -36.213 1.00 54.47 C +ATOM 4322 C ASN B 199 61.273 8.587 -34.774 1.00 54.69 C +ATOM 4323 O ASN B 199 62.021 9.174 -34.001 1.00 55.13 O +ATOM 4324 CB ASN B 199 62.635 9.719 -36.384 1.00 55.49 C +ATOM 4325 CG ASN B 199 63.182 9.654 -37.763 1.00 57.00 C +ATOM 4326 OD1 ASN B 199 63.118 10.631 -38.514 1.00 57.95 O +ATOM 4327 ND2 ASN B 199 63.724 8.485 -38.129 1.00 57.43 N +ATOM 4328 N ASN B 200 60.363 7.705 -34.392 1.00 55.07 N +ATOM 4329 CA ASN B 200 60.177 7.403 -32.982 1.00 55.30 C +ATOM 4330 C ASN B 200 61.340 6.577 -32.462 1.00 55.52 C +ATOM 4331 O ASN B 200 62.039 7.001 -31.533 1.00 56.16 O +ATOM 4332 CB ASN B 200 58.855 6.637 -32.749 1.00 55.49 C +ATOM 4333 CG ASN B 200 57.615 7.522 -32.890 1.00 55.50 C +ATOM 4334 OD1 ASN B 200 57.706 8.751 -32.945 1.00 55.71 O +ATOM 4335 ND2 ASN B 200 56.447 6.891 -32.934 1.00 55.16 N +ATOM 4336 N GLU B 201 61.555 5.416 -33.074 1.00 55.25 N +ATOM 4337 CA GLU B 201 62.589 4.473 -32.650 1.00 54.22 C +ATOM 4338 C GLU B 201 63.953 5.129 -32.365 1.00 53.87 C +ATOM 4339 O GLU B 201 64.659 4.708 -31.446 1.00 53.67 O +ATOM 4340 CB GLU B 201 62.691 3.361 -33.696 1.00 53.12 C +ATOM 4341 CG GLU B 201 61.335 2.690 -34.007 1.00 52.36 C +ATOM 4342 CD GLU B 201 61.083 1.386 -33.229 1.00 51.69 C +ATOM 4343 OE1 GLU B 201 62.067 0.681 -32.912 1.00 50.59 O +ATOM 4344 OE2 GLU B 201 59.900 1.051 -32.962 1.00 51.79 O +ATOM 4345 N SER B 202 64.320 6.154 -33.121 1.00 54.06 N +ATOM 4346 CA SER B 202 65.601 6.805 -32.893 1.00 54.45 C +ATOM 4347 C SER B 202 65.572 7.627 -31.622 1.00 54.24 C +ATOM 4348 O SER B 202 66.455 7.462 -30.801 1.00 55.20 O +ATOM 4349 CB SER B 202 65.990 7.697 -34.084 1.00 54.72 C +ATOM 4350 OG SER B 202 65.067 8.755 -34.308 1.00 56.56 O +ATOM 4351 N PHE B 203 64.573 8.487 -31.437 1.00 53.63 N +ATOM 4352 CA PHE B 203 64.529 9.317 -30.240 1.00 53.09 C +ATOM 4353 C PHE B 203 64.525 8.493 -28.976 1.00 52.85 C +ATOM 4354 O PHE B 203 65.101 8.903 -27.976 1.00 52.57 O +ATOM 4355 CB PHE B 203 63.296 10.205 -30.222 1.00 53.50 C +ATOM 4356 CG PHE B 203 63.273 11.150 -29.056 1.00 55.17 C +ATOM 4357 CD1 PHE B 203 63.845 12.418 -29.157 1.00 55.83 C +ATOM 4358 CD2 PHE B 203 62.756 10.751 -27.833 1.00 55.16 C +ATOM 4359 CE1 PHE B 203 63.906 13.269 -28.056 1.00 55.93 C +ATOM 4360 CE2 PHE B 203 62.818 11.593 -26.731 1.00 55.83 C +ATOM 4361 CZ PHE B 203 63.394 12.853 -26.842 1.00 55.62 C +ATOM 4362 N VAL B 204 63.871 7.343 -29.013 1.00 52.81 N +ATOM 4363 CA VAL B 204 63.770 6.486 -27.839 1.00 52.83 C +ATOM 4364 C VAL B 204 65.125 5.942 -27.408 1.00 54.12 C +ATOM 4365 O VAL B 204 65.394 5.864 -26.222 1.00 54.36 O +ATOM 4366 CB VAL B 204 62.773 5.323 -28.103 1.00 51.93 C +ATOM 4367 CG1 VAL B 204 62.866 4.289 -26.994 1.00 50.81 C +ATOM 4368 CG2 VAL B 204 61.351 5.876 -28.219 1.00 49.19 C +ATOM 4369 N ILE B 205 65.974 5.564 -28.354 1.00 55.84 N +ATOM 4370 CA ILE B 205 67.295 5.036 -28.017 1.00 57.29 C +ATOM 4371 C ILE B 205 68.164 6.180 -27.504 1.00 58.38 C +ATOM 4372 O ILE B 205 69.027 6.000 -26.636 1.00 58.47 O +ATOM 4373 CB ILE B 205 67.931 4.399 -29.263 1.00 57.11 C +ATOM 4374 CG1 ILE B 205 66.988 3.323 -29.804 1.00 57.23 C +ATOM 4375 CG2 ILE B 205 69.285 3.803 -28.921 1.00 57.03 C +ATOM 4376 CD1 ILE B 205 67.406 2.733 -31.115 1.00 58.37 C +ATOM 4377 N TYR B 206 67.894 7.361 -28.044 1.00 59.96 N +ATOM 4378 CA TYR B 206 68.591 8.606 -27.711 1.00 61.58 C +ATOM 4379 C TYR B 206 68.330 8.956 -26.283 1.00 61.85 C +ATOM 4380 O TYR B 206 69.239 9.371 -25.570 1.00 62.45 O +ATOM 4381 CB TYR B 206 68.068 9.740 -28.600 1.00 63.37 C +ATOM 4382 CG TYR B 206 68.112 11.131 -27.984 1.00 64.83 C +ATOM 4383 CD1 TYR B 206 69.312 11.836 -27.887 1.00 65.38 C +ATOM 4384 CD2 TYR B 206 66.935 11.769 -27.555 1.00 65.44 C +ATOM 4385 CE1 TYR B 206 69.344 13.145 -27.392 1.00 65.55 C +ATOM 4386 CE2 TYR B 206 66.952 13.073 -27.058 1.00 65.80 C +ATOM 4387 CZ TYR B 206 68.163 13.759 -26.984 1.00 65.50 C +ATOM 4388 OH TYR B 206 68.205 15.060 -26.530 1.00 64.87 O +ATOM 4389 N MET B 207 67.073 8.793 -25.879 1.00 61.95 N +ATOM 4390 CA MET B 207 66.634 9.117 -24.534 1.00 61.84 C +ATOM 4391 C MET B 207 67.063 8.068 -23.519 1.00 61.43 C +ATOM 4392 O MET B 207 67.325 8.434 -22.385 1.00 62.94 O +ATOM 4393 CB MET B 207 65.113 9.286 -24.513 1.00 62.60 C +ATOM 4394 CG MET B 207 64.540 9.597 -23.145 1.00 63.64 C +ATOM 4395 SD MET B 207 62.752 9.390 -23.092 1.00 66.45 S +ATOM 4396 CE MET B 207 62.594 7.582 -22.928 1.00 64.28 C +ATOM 4397 N PHE B 208 67.145 6.792 -23.889 1.00 60.77 N +ATOM 4398 CA PHE B 208 67.554 5.789 -22.912 1.00 59.98 C +ATOM 4399 C PHE B 208 69.054 5.717 -22.773 1.00 59.92 C +ATOM 4400 O PHE B 208 69.533 5.113 -21.825 1.00 60.03 O +ATOM 4401 CB PHE B 208 67.002 4.421 -23.272 1.00 59.97 C +ATOM 4402 CG PHE B 208 65.670 4.137 -22.649 1.00 61.31 C +ATOM 4403 CD1 PHE B 208 65.551 3.973 -21.272 1.00 62.14 C +ATOM 4404 CD2 PHE B 208 64.529 4.029 -23.430 1.00 62.02 C +ATOM 4405 CE1 PHE B 208 64.315 3.704 -20.682 1.00 62.09 C +ATOM 4406 CE2 PHE B 208 63.295 3.762 -22.853 1.00 61.83 C +ATOM 4407 CZ PHE B 208 63.189 3.598 -21.474 1.00 62.24 C +ATOM 4408 N VAL B 209 69.795 6.330 -23.694 1.00 59.83 N +ATOM 4409 CA VAL B 209 71.257 6.321 -23.612 1.00 59.15 C +ATOM 4410 C VAL B 209 71.780 7.658 -23.063 1.00 58.79 C +ATOM 4411 O VAL B 209 72.434 7.673 -22.020 1.00 58.77 O +ATOM 4412 CB VAL B 209 71.893 6.034 -24.989 1.00 58.35 C +ATOM 4413 CG1 VAL B 209 73.389 6.049 -24.858 1.00 57.45 C +ATOM 4414 CG2 VAL B 209 71.433 4.682 -25.516 1.00 56.68 C +ATOM 4415 N VAL B 210 71.478 8.761 -23.744 1.00 57.75 N +ATOM 4416 CA VAL B 210 71.917 10.090 -23.314 1.00 57.31 C +ATOM 4417 C VAL B 210 71.272 10.525 -22.007 1.00 57.12 C +ATOM 4418 O VAL B 210 71.983 10.862 -21.064 1.00 57.43 O +ATOM 4419 CB VAL B 210 71.568 11.179 -24.358 1.00 57.40 C +ATOM 4420 CG1 VAL B 210 71.879 12.556 -23.803 1.00 56.44 C +ATOM 4421 CG2 VAL B 210 72.341 10.947 -25.631 1.00 57.45 C +ATOM 4422 N HIS B 211 69.940 10.509 -21.953 1.00 56.59 N +ATOM 4423 CA HIS B 211 69.188 10.977 -20.788 1.00 56.00 C +ATOM 4424 C HIS B 211 68.738 9.906 -19.806 1.00 54.36 C +ATOM 4425 O HIS B 211 67.683 10.056 -19.197 1.00 53.47 O +ATOM 4426 CB HIS B 211 67.982 11.770 -21.269 1.00 58.05 C +ATOM 4427 CG HIS B 211 68.338 12.915 -22.168 1.00 60.75 C +ATOM 4428 ND1 HIS B 211 69.043 14.015 -21.732 1.00 61.69 N +ATOM 4429 CD2 HIS B 211 68.068 13.138 -23.476 1.00 62.27 C +ATOM 4430 CE1 HIS B 211 69.187 14.870 -22.729 1.00 62.20 C +ATOM 4431 NE2 HIS B 211 68.603 14.363 -23.799 1.00 62.22 N +ATOM 4432 N PHE B 212 69.517 8.850 -19.629 1.00 53.41 N +ATOM 4433 CA PHE B 212 69.162 7.829 -18.658 1.00 53.33 C +ATOM 4434 C PHE B 212 70.365 7.000 -18.328 1.00 53.83 C +ATOM 4435 O PHE B 212 70.907 7.123 -17.236 1.00 54.92 O +ATOM 4436 CB PHE B 212 68.028 6.926 -19.159 1.00 53.14 C +ATOM 4437 CG PHE B 212 67.665 5.806 -18.199 1.00 53.41 C +ATOM 4438 CD1 PHE B 212 67.315 6.079 -16.880 1.00 54.25 C +ATOM 4439 CD2 PHE B 212 67.680 4.476 -18.617 1.00 53.69 C +ATOM 4440 CE1 PHE B 212 66.982 5.051 -15.983 1.00 54.30 C +ATOM 4441 CE2 PHE B 212 67.352 3.431 -17.734 1.00 53.80 C +ATOM 4442 CZ PHE B 212 67.002 3.722 -16.413 1.00 54.24 C +ATOM 4443 N ILE B 213 70.795 6.146 -19.239 1.00 53.91 N +ATOM 4444 CA ILE B 213 71.925 5.297 -18.924 1.00 53.96 C +ATOM 4445 C ILE B 213 73.180 6.089 -18.587 1.00 54.09 C +ATOM 4446 O ILE B 213 73.845 5.749 -17.623 1.00 54.10 O +ATOM 4447 CB ILE B 213 72.209 4.318 -20.065 1.00 54.54 C +ATOM 4448 CG1 ILE B 213 70.969 3.458 -20.342 1.00 55.02 C +ATOM 4449 CG2 ILE B 213 73.322 3.391 -19.649 1.00 55.92 C +ATOM 4450 CD1 ILE B 213 71.043 2.631 -21.620 1.00 55.20 C +ATOM 4451 N ILE B 214 73.499 7.141 -19.331 1.00 54.53 N +ATOM 4452 CA ILE B 214 74.720 7.894 -19.046 1.00 55.38 C +ATOM 4453 C ILE B 214 74.693 8.541 -17.667 1.00 56.44 C +ATOM 4454 O ILE B 214 75.492 8.168 -16.801 1.00 57.15 O +ATOM 4455 CB ILE B 214 74.996 9.014 -20.104 1.00 55.27 C +ATOM 4456 CG1 ILE B 214 75.195 8.412 -21.497 1.00 55.89 C +ATOM 4457 CG2 ILE B 214 76.249 9.796 -19.717 1.00 54.48 C +ATOM 4458 CD1 ILE B 214 75.533 9.432 -22.584 1.00 54.64 C +ATOM 4459 N PRO B 215 73.784 9.511 -17.440 1.00 56.60 N +ATOM 4460 CA PRO B 215 73.733 10.171 -16.135 1.00 56.50 C +ATOM 4461 C PRO B 215 73.789 9.226 -14.972 1.00 57.11 C +ATOM 4462 O PRO B 215 74.440 9.525 -13.979 1.00 57.77 O +ATOM 4463 CB PRO B 215 72.429 10.964 -16.199 1.00 56.47 C +ATOM 4464 CG PRO B 215 72.331 11.328 -17.656 1.00 56.65 C +ATOM 4465 CD PRO B 215 72.699 10.002 -18.313 1.00 57.15 C +ATOM 4466 N LEU B 216 73.123 8.089 -15.082 1.00 57.74 N +ATOM 4467 CA LEU B 216 73.145 7.139 -13.989 1.00 59.26 C +ATOM 4468 C LEU B 216 74.542 6.614 -13.796 1.00 60.73 C +ATOM 4469 O LEU B 216 74.953 6.383 -12.659 1.00 61.82 O +ATOM 4470 CB LEU B 216 72.173 5.987 -14.248 1.00 58.18 C +ATOM 4471 CG LEU B 216 70.810 6.272 -13.629 1.00 56.74 C +ATOM 4472 CD1 LEU B 216 70.977 6.424 -12.132 1.00 56.54 C +ATOM 4473 CD2 LEU B 216 70.232 7.543 -14.209 1.00 56.79 C +ATOM 4474 N ILE B 217 75.273 6.431 -14.892 1.00 61.80 N +ATOM 4475 CA ILE B 217 76.648 5.928 -14.825 1.00 62.38 C +ATOM 4476 C ILE B 217 77.505 6.915 -14.032 1.00 62.97 C +ATOM 4477 O ILE B 217 78.138 6.527 -13.039 1.00 63.04 O +ATOM 4478 CB ILE B 217 77.250 5.737 -16.258 1.00 61.68 C +ATOM 4479 CG1 ILE B 217 76.554 4.584 -16.983 1.00 60.39 C +ATOM 4480 CG2 ILE B 217 78.727 5.421 -16.169 1.00 61.30 C +ATOM 4481 CD1 ILE B 217 77.043 4.392 -18.390 1.00 58.98 C +ATOM 4482 N VAL B 218 77.512 8.174 -14.468 1.00 63.09 N +ATOM 4483 CA VAL B 218 78.264 9.230 -13.804 1.00 63.52 C +ATOM 4484 C VAL B 218 78.000 9.198 -12.331 1.00 64.24 C +ATOM 4485 O VAL B 218 78.889 8.955 -11.534 1.00 64.62 O +ATOM 4486 CB VAL B 218 77.820 10.604 -14.280 1.00 63.80 C +ATOM 4487 CG1 VAL B 218 78.381 11.673 -13.346 1.00 64.10 C +ATOM 4488 CG2 VAL B 218 78.254 10.820 -15.721 1.00 64.07 C +ATOM 4489 N ILE B 219 76.755 9.475 -11.984 1.00 64.98 N +ATOM 4490 CA ILE B 219 76.310 9.505 -10.608 1.00 65.80 C +ATOM 4491 C ILE B 219 76.764 8.263 -9.872 1.00 66.71 C +ATOM 4492 O ILE B 219 77.335 8.366 -8.793 1.00 66.24 O +ATOM 4493 CB ILE B 219 74.781 9.646 -10.583 1.00 65.29 C +ATOM 4494 CG1 ILE B 219 74.403 10.992 -11.220 1.00 65.17 C +ATOM 4495 CG2 ILE B 219 74.266 9.520 -9.169 1.00 64.07 C +ATOM 4496 CD1 ILE B 219 72.954 11.155 -11.551 1.00 64.41 C +ATOM 4497 N PHE B 220 76.525 7.098 -10.454 1.00 68.34 N +ATOM 4498 CA PHE B 220 76.926 5.850 -9.822 1.00 70.32 C +ATOM 4499 C PHE B 220 78.413 5.762 -9.699 1.00 72.37 C +ATOM 4500 O PHE B 220 78.936 5.226 -8.712 1.00 72.92 O +ATOM 4501 CB PHE B 220 76.441 4.681 -10.640 1.00 69.88 C +ATOM 4502 CG PHE B 220 75.114 4.197 -10.227 1.00 70.47 C +ATOM 4503 CD1 PHE B 220 74.964 3.530 -9.020 1.00 70.20 C +ATOM 4504 CD2 PHE B 220 74.005 4.414 -11.034 1.00 70.67 C +ATOM 4505 CE1 PHE B 220 73.728 3.083 -8.620 1.00 70.73 C +ATOM 4506 CE2 PHE B 220 72.761 3.973 -10.649 1.00 70.76 C +ATOM 4507 CZ PHE B 220 72.615 3.303 -9.437 1.00 71.19 C +ATOM 4508 N PHE B 221 79.102 6.261 -10.714 1.00 73.79 N +ATOM 4509 CA PHE B 221 80.549 6.248 -10.718 1.00 75.20 C +ATOM 4510 C PHE B 221 81.059 7.136 -9.602 1.00 75.45 C +ATOM 4511 O PHE B 221 81.713 6.656 -8.686 1.00 75.13 O +ATOM 4512 CB PHE B 221 81.062 6.747 -12.067 1.00 76.50 C +ATOM 4513 CG PHE B 221 82.537 6.977 -12.096 1.00 77.61 C +ATOM 4514 CD1 PHE B 221 83.095 8.090 -11.456 1.00 78.42 C +ATOM 4515 CD2 PHE B 221 83.379 6.056 -12.714 1.00 78.37 C +ATOM 4516 CE1 PHE B 221 84.467 8.282 -11.422 1.00 79.12 C +ATOM 4517 CE2 PHE B 221 84.752 6.232 -12.690 1.00 79.35 C +ATOM 4518 CZ PHE B 221 85.302 7.351 -12.038 1.00 79.52 C +ATOM 4519 N CYS B 222 80.768 8.427 -9.699 1.00 76.00 N +ATOM 4520 CA CYS B 222 81.195 9.391 -8.703 1.00 76.83 C +ATOM 4521 C CYS B 222 80.815 8.895 -7.336 1.00 76.87 C +ATOM 4522 O CYS B 222 81.458 9.243 -6.353 1.00 76.82 O +ATOM 4523 CB CYS B 222 80.539 10.744 -8.977 1.00 77.84 C +ATOM 4524 SG CYS B 222 80.401 11.795 -7.515 1.00 78.98 S +ATOM 4525 N TYR B 223 79.766 8.090 -7.263 1.00 77.30 N +ATOM 4526 CA TYR B 223 79.365 7.560 -5.979 1.00 78.13 C +ATOM 4527 C TYR B 223 80.386 6.557 -5.556 1.00 79.71 C +ATOM 4528 O TYR B 223 80.466 6.219 -4.386 1.00 79.91 O +ATOM 4529 CB TYR B 223 78.019 6.869 -6.058 1.00 77.06 C +ATOM 4530 CG TYR B 223 77.760 6.058 -4.823 1.00 76.08 C +ATOM 4531 CD1 TYR B 223 77.448 6.675 -3.616 1.00 76.11 C +ATOM 4532 CD2 TYR B 223 77.875 4.673 -4.846 1.00 75.98 C +ATOM 4533 CE1 TYR B 223 77.255 5.929 -2.456 1.00 76.41 C +ATOM 4534 CE2 TYR B 223 77.686 3.914 -3.697 1.00 76.33 C +ATOM 4535 CZ TYR B 223 77.373 4.543 -2.503 1.00 76.58 C +ATOM 4536 OH TYR B 223 77.168 3.782 -1.366 1.00 76.14 O +ATOM 4537 N GLY B 224 81.148 6.056 -6.520 1.00 81.56 N +ATOM 4538 CA GLY B 224 82.189 5.090 -6.219 1.00 84.32 C +ATOM 4539 C GLY B 224 83.431 5.797 -5.701 1.00 86.21 C +ATOM 4540 O GLY B 224 84.151 5.276 -4.851 1.00 86.22 O +ATOM 4541 N GLN B 225 83.679 6.998 -6.217 1.00 88.04 N +ATOM 4542 CA GLN B 225 84.827 7.803 -5.810 1.00 89.67 C +ATOM 4543 C GLN B 225 84.726 8.139 -4.339 1.00 91.17 C +ATOM 4544 O GLN B 225 85.691 7.941 -3.597 1.00 91.73 O +ATOM 4545 CB GLN B 225 84.886 9.088 -6.635 1.00 89.55 C +ATOM 4546 CG GLN B 225 85.069 8.823 -8.112 1.00 89.79 C +ATOM 4547 CD GLN B 225 86.249 7.900 -8.380 1.00 90.28 C +ATOM 4548 OE1 GLN B 225 87.410 8.302 -8.267 1.00 90.07 O +ATOM 4549 NE2 GLN B 225 85.953 6.648 -8.720 1.00 89.82 N +ATOM 4550 N LEU B 226 83.569 8.639 -3.914 1.00 92.56 N +ATOM 4551 CA LEU B 226 83.362 8.989 -2.512 1.00 93.91 C +ATOM 4552 C LEU B 226 82.942 7.752 -1.706 1.00 94.84 C +ATOM 4553 O LEU B 226 82.111 7.856 -0.793 1.00 94.77 O +ATOM 4554 CB LEU B 226 82.310 10.099 -2.399 1.00 93.77 C +ATOM 4555 CG LEU B 226 82.709 11.451 -3.006 1.00 93.89 C +ATOM 4556 CD1 LEU B 226 83.008 11.316 -4.496 1.00 93.52 C +ATOM 4557 CD2 LEU B 226 81.589 12.442 -2.772 1.00 93.21 C +ATOM 4558 N VAL B 227 83.513 6.594 -2.051 1.00 95.96 N +ATOM 4559 CA VAL B 227 83.221 5.347 -1.341 1.00 97.42 C +ATOM 4560 C VAL B 227 84.296 5.147 -0.295 1.00 99.28 C +ATOM 4561 O VAL B 227 83.980 4.749 0.840 1.00 99.88 O +ATOM 4562 CB VAL B 227 83.200 4.108 -2.282 1.00 96.77 C +ATOM 4563 CG1 VAL B 227 84.621 3.706 -2.678 1.00 95.80 C +ATOM 4564 CG2 VAL B 227 82.480 2.952 -1.590 1.00 96.05 C +ATOM 4565 N PHE B 228 85.553 5.415 -0.670 1.00100.71 N +ATOM 4566 CA PHE B 228 86.676 5.299 0.265 1.00102.23 C +ATOM 4567 C PHE B 228 86.672 6.520 1.169 1.00102.77 C +ATOM 4568 O PHE B 228 86.838 6.383 2.391 1.00103.05 O +ATOM 4569 CB PHE B 228 88.030 5.217 -0.461 1.00102.57 C +ATOM 4570 CG PHE B 228 89.231 5.214 0.484 1.00103.50 C +ATOM 4571 CD1 PHE B 228 89.276 4.341 1.587 1.00103.57 C +ATOM 4572 CD2 PHE B 228 90.311 6.082 0.276 1.00103.76 C +ATOM 4573 CE1 PHE B 228 90.383 4.334 2.472 1.00103.65 C +ATOM 4574 CE2 PHE B 228 91.426 6.083 1.153 1.00103.92 C +ATOM 4575 CZ PHE B 228 91.457 5.207 2.251 1.00103.78 C +ATOM 4576 N THR B 229 86.494 7.702 0.578 1.00103.08 N +ATOM 4577 CA THR B 229 86.442 8.941 1.348 1.00103.48 C +ATOM 4578 C THR B 229 85.125 8.978 2.176 1.00104.03 C +ATOM 4579 O THR B 229 84.688 7.917 2.649 1.00104.10 O +ATOM 4580 CB THR B 229 86.585 10.186 0.411 1.00103.04 C +ATOM 4581 OG1 THR B 229 86.314 9.816 -0.949 1.00103.10 O +ATOM 4582 CG2 THR B 229 88.001 10.740 0.490 1.00102.95 C +ATOM 4583 N VAL B 230 84.500 10.145 2.355 1.00104.39 N +ATOM 4584 CA VAL B 230 83.270 10.228 3.156 1.00104.49 C +ATOM 4585 C VAL B 230 82.270 9.141 2.772 1.00105.41 C +ATOM 4586 O VAL B 230 81.857 9.059 1.604 1.00105.34 O +ATOM 4587 CB VAL B 230 82.576 11.610 3.018 1.00103.61 C +ATOM 4588 CG1 VAL B 230 82.222 11.879 1.576 1.00103.20 C +ATOM 4589 CG2 VAL B 230 81.316 11.635 3.852 1.00102.99 C +ATOM 4590 N LYS B 231 81.903 8.300 3.741 1.00106.33 N +ATOM 4591 CA LYS B 231 80.916 7.239 3.517 1.00107.01 C +ATOM 4592 C LYS B 231 79.690 7.620 4.319 1.00107.82 C +ATOM 4593 O LYS B 231 79.493 8.810 4.610 1.00107.89 O +ATOM 4594 CB LYS B 231 81.408 5.872 4.019 1.00106.30 C +ATOM 4595 CG LYS B 231 82.907 5.672 4.031 1.00105.74 C +ATOM 4596 CD LYS B 231 83.316 4.956 5.314 1.00105.78 C +ATOM 4597 CE LYS B 231 82.879 5.747 6.556 1.00105.13 C +ATOM 4598 NZ LYS B 231 83.131 5.012 7.832 1.00105.04 N +ATOM 4599 N GLU B 232 78.880 6.629 4.691 1.00108.81 N +ATOM 4600 CA GLU B 232 77.682 6.901 5.482 1.00109.91 C +ATOM 4601 C GLU B 232 78.096 7.276 6.900 1.00110.66 C +ATOM 4602 O GLU B 232 77.593 8.275 7.429 1.00110.78 O +ATOM 4603 CB GLU B 232 76.735 5.679 5.502 1.00109.75 C +ATOM 4604 CG GLU B 232 76.012 5.378 4.158 1.00110.21 C +ATOM 4605 CD GLU B 232 74.508 5.725 4.146 1.00110.11 C +ATOM 4606 OE1 GLU B 232 73.743 5.130 4.944 1.00110.29 O +ATOM 4607 OE2 GLU B 232 74.088 6.583 3.329 1.00109.63 O +ATOM 4608 N ALA B 233 79.019 6.510 7.491 1.00111.45 N +ATOM 4609 CA ALA B 233 79.501 6.757 8.861 1.00112.03 C +ATOM 4610 C ALA B 233 79.936 8.229 9.074 1.00112.32 C +ATOM 4611 O ALA B 233 80.919 8.691 8.472 1.00112.45 O +ATOM 4612 CB ALA B 233 80.662 5.794 9.193 1.00111.91 C +ATOM 4613 N ALA B 234 79.195 8.939 9.933 1.00112.38 N +ATOM 4614 CA ALA B 234 79.443 10.351 10.274 1.00112.19 C +ATOM 4615 C ALA B 234 79.107 10.583 11.764 1.00111.94 C +ATOM 4616 O ALA B 234 77.930 10.760 12.097 1.00111.72 O +ATOM 4617 CB ALA B 234 78.584 11.273 9.373 1.00111.98 C +ATOM 4618 N ALA B 235 80.130 10.595 12.631 1.00111.84 N +ATOM 4619 CA ALA B 235 79.977 10.764 14.094 1.00111.82 C +ATOM 4620 C ALA B 235 79.341 12.097 14.494 1.00111.80 C +ATOM 4621 O ALA B 235 78.857 12.837 13.628 1.00111.46 O +ATOM 4622 CB ALA B 235 81.342 10.607 14.795 1.00111.39 C +ATOM 4623 N GLN B 236 79.341 12.392 15.801 1.00112.03 N +ATOM 4624 CA GLN B 236 78.753 13.631 16.329 1.00112.05 C +ATOM 4625 C GLN B 236 79.569 14.844 15.919 1.00112.89 C +ATOM 4626 O GLN B 236 80.614 14.680 15.278 1.00113.13 O +ATOM 4627 CB GLN B 236 78.604 13.572 17.865 1.00110.57 C +ATOM 4628 CG GLN B 236 79.673 12.796 18.623 1.00108.53 C +ATOM 4629 CD GLN B 236 81.022 13.459 18.589 1.00107.54 C +ATOM 4630 OE1 GLN B 236 81.953 12.955 17.969 1.00106.66 O +ATOM 4631 NE2 GLN B 236 81.135 14.600 19.255 1.00106.42 N +ATOM 4632 N GLN B 237 79.087 16.040 16.275 1.00113.25 N +ATOM 4633 CA GLN B 237 79.746 17.308 15.932 1.00113.17 C +ATOM 4634 C GLN B 237 81.214 17.094 15.588 1.00113.35 C +ATOM 4635 O GLN B 237 82.054 17.148 16.492 1.00113.26 O +ATOM 4636 CB GLN B 237 79.652 18.323 17.088 1.00112.48 C +ATOM 4637 CG GLN B 237 78.247 18.802 17.463 1.00111.51 C +ATOM 4638 CD GLN B 237 77.590 17.961 18.557 1.00110.94 C +ATOM 4639 OE1 GLN B 237 76.513 18.305 19.048 1.00110.10 O +ATOM 4640 NE2 GLN B 237 78.235 16.857 18.940 1.00110.36 N +ATOM 4641 N GLN B 238 81.503 16.834 14.306 1.00113.32 N +ATOM 4642 CA GLN B 238 82.872 16.637 13.795 1.00112.97 C +ATOM 4643 C GLN B 238 83.248 15.173 13.589 1.00112.84 C +ATOM 4644 O GLN B 238 82.668 14.269 14.199 1.00112.42 O +ATOM 4645 CB GLN B 238 83.894 17.318 14.718 1.00112.69 C +ATOM 4646 CG GLN B 238 85.346 17.090 14.383 1.00111.56 C +ATOM 4647 CD GLN B 238 86.249 17.758 15.388 1.00111.46 C +ATOM 4648 OE1 GLN B 238 86.327 18.982 15.450 1.00111.38 O +ATOM 4649 NE2 GLN B 238 86.923 16.954 16.199 1.00110.87 N +ATOM 4650 N GLU B 239 84.220 14.961 12.702 1.00112.58 N +ATOM 4651 CA GLU B 239 84.750 13.635 12.379 1.00112.47 C +ATOM 4652 C GLU B 239 86.217 13.801 11.984 1.00112.88 C +ATOM 4653 O GLU B 239 86.951 12.813 11.812 1.00112.97 O +ATOM 4654 CB GLU B 239 83.979 13.008 11.211 1.00111.80 C +ATOM 4655 CG GLU B 239 84.185 11.508 11.070 1.00110.53 C +ATOM 4656 CD GLU B 239 83.497 10.732 12.179 1.00110.20 C +ATOM 4657 OE1 GLU B 239 83.598 11.154 13.354 1.00109.52 O +ATOM 4658 OE2 GLU B 239 82.863 9.700 11.875 1.00109.45 O +ATOM 4659 N SER B 240 86.617 15.067 11.849 1.00112.73 N +ATOM 4660 CA SER B 240 87.970 15.495 11.471 1.00112.37 C +ATOM 4661 C SER B 240 87.880 17.005 11.253 1.00111.68 C +ATOM 4662 O SER B 240 88.668 17.604 10.509 1.00111.92 O +ATOM 4663 CB SER B 240 88.409 14.789 10.175 1.00112.65 C +ATOM 4664 OG SER B 240 89.770 15.052 9.869 1.00113.09 O +ATOM 4665 N ALA B 241 86.897 17.580 11.945 1.00110.36 N +ATOM 4666 CA ALA B 241 86.512 18.985 11.920 1.00108.98 C +ATOM 4667 C ALA B 241 85.036 18.915 11.664 1.00108.10 C +ATOM 4668 O ALA B 241 84.630 18.177 10.770 1.00107.63 O +ATOM 4669 CB ALA B 241 87.206 19.739 10.778 1.00108.44 C +ATOM 4670 N THR B 242 84.220 19.623 12.437 1.00107.50 N +ATOM 4671 CA THR B 242 82.778 19.556 12.204 1.00107.02 C +ATOM 4672 C THR B 242 82.480 19.976 10.770 1.00106.16 C +ATOM 4673 O THR B 242 81.400 19.669 10.257 1.00105.83 O +ATOM 4674 CB THR B 242 81.975 20.454 13.195 1.00107.64 C +ATOM 4675 OG1 THR B 242 82.354 20.144 14.543 1.00107.69 O +ATOM 4676 CG2 THR B 242 80.464 20.208 13.044 1.00107.88 C +ATOM 4677 N THR B 243 83.432 20.660 10.132 1.00105.07 N +ATOM 4678 CA THR B 243 83.277 21.110 8.744 1.00103.79 C +ATOM 4679 C THR B 243 83.286 19.887 7.856 1.00102.32 C +ATOM 4680 O THR B 243 82.513 19.797 6.907 1.00102.00 O +ATOM 4681 CB THR B 243 84.440 22.061 8.305 1.00104.04 C +ATOM 4682 OG1 THR B 243 84.098 22.709 7.067 1.00103.39 O +ATOM 4683 CG2 THR B 243 85.755 21.269 8.128 1.00103.88 C +ATOM 4684 N GLN B 244 84.164 18.947 8.182 1.00100.59 N +ATOM 4685 CA GLN B 244 84.287 17.710 7.436 1.00 99.43 C +ATOM 4686 C GLN B 244 83.144 16.784 7.826 1.00 98.35 C +ATOM 4687 O GLN B 244 82.801 15.884 7.063 1.00 98.23 O +ATOM 4688 CB GLN B 244 85.663 17.093 7.738 1.00 99.87 C +ATOM 4689 CG GLN B 244 85.833 15.607 7.427 1.00100.51 C +ATOM 4690 CD GLN B 244 85.464 14.711 8.607 1.00101.06 C +ATOM 4691 OE1 GLN B 244 85.728 13.497 8.595 1.00100.98 O +ATOM 4692 NE2 GLN B 244 84.850 15.305 9.635 1.00101.29 N +ATOM 4693 N LYS B 245 82.538 17.035 8.986 1.00 97.09 N +ATOM 4694 CA LYS B 245 81.439 16.217 9.496 1.00 95.78 C +ATOM 4695 C LYS B 245 80.067 16.803 9.161 1.00 94.97 C +ATOM 4696 O LYS B 245 79.044 16.156 9.388 1.00 94.60 O +ATOM 4697 CB LYS B 245 81.567 16.058 11.008 1.00 95.95 C +ATOM 4698 CG LYS B 245 80.563 15.099 11.633 1.00 95.79 C +ATOM 4699 CD LYS B 245 80.916 13.650 11.344 1.00 95.18 C +ATOM 4700 CE LYS B 245 80.929 13.343 9.853 1.00 95.13 C +ATOM 4701 NZ LYS B 245 81.646 12.075 9.557 1.00 94.51 N +ATOM 4702 N ALA B 246 80.037 18.021 8.640 1.00 93.90 N +ATOM 4703 CA ALA B 246 78.774 18.643 8.275 1.00 92.68 C +ATOM 4704 C ALA B 246 78.569 18.463 6.799 1.00 91.39 C +ATOM 4705 O ALA B 246 77.496 18.738 6.285 1.00 90.91 O +ATOM 4706 CB ALA B 246 78.800 20.114 8.615 1.00 93.25 C +ATOM 4707 N GLU B 247 79.612 18.017 6.112 1.00 90.06 N +ATOM 4708 CA GLU B 247 79.515 17.794 4.684 1.00 89.07 C +ATOM 4709 C GLU B 247 79.017 16.414 4.459 1.00 87.62 C +ATOM 4710 O GLU B 247 78.310 16.161 3.491 1.00 87.56 O +ATOM 4711 CB GLU B 247 80.872 17.980 4.010 1.00 89.51 C +ATOM 4712 CG GLU B 247 81.107 19.406 3.535 1.00 90.69 C +ATOM 4713 CD GLU B 247 79.912 19.962 2.766 1.00 91.46 C +ATOM 4714 OE1 GLU B 247 79.479 19.312 1.787 1.00 91.94 O +ATOM 4715 OE2 GLU B 247 79.401 21.046 3.139 1.00 91.95 O +ATOM 4716 N LYS B 248 79.379 15.513 5.358 1.00 86.04 N +ATOM 4717 CA LYS B 248 78.927 14.147 5.232 1.00 85.14 C +ATOM 4718 C LYS B 248 77.417 14.126 5.371 1.00 83.97 C +ATOM 4719 O LYS B 248 76.815 13.110 5.073 1.00 84.47 O +ATOM 4720 CB LYS B 248 79.591 13.258 6.292 1.00 86.18 C +ATOM 4721 CG LYS B 248 81.098 13.481 6.368 1.00 88.26 C +ATOM 4722 CD LYS B 248 81.871 12.253 6.841 1.00 89.61 C +ATOM 4723 CE LYS B 248 83.386 12.511 6.813 1.00 89.65 C +ATOM 4724 NZ LYS B 248 83.894 12.920 5.456 1.00 89.35 N +ATOM 4725 N GLU B 249 76.802 15.231 5.802 1.00 81.82 N +ATOM 4726 CA GLU B 249 75.344 15.264 5.937 1.00 79.35 C +ATOM 4727 C GLU B 249 74.743 15.702 4.625 1.00 77.66 C +ATOM 4728 O GLU B 249 73.620 15.322 4.308 1.00 77.63 O +ATOM 4729 CB GLU B 249 74.881 16.208 7.063 1.00 79.28 C +ATOM 4730 CG GLU B 249 74.880 17.699 6.716 1.00 80.37 C +ATOM 4731 CD GLU B 249 73.641 18.455 7.235 1.00 81.31 C +ATOM 4732 OE1 GLU B 249 73.192 18.173 8.370 1.00 81.55 O +ATOM 4733 OE2 GLU B 249 73.121 19.346 6.514 1.00 81.29 O +ATOM 4734 N VAL B 250 75.479 16.503 3.865 1.00 75.53 N +ATOM 4735 CA VAL B 250 74.989 16.951 2.571 1.00 73.74 C +ATOM 4736 C VAL B 250 75.124 15.807 1.592 1.00 73.31 C +ATOM 4737 O VAL B 250 74.273 15.643 0.727 1.00 74.17 O +ATOM 4738 CB VAL B 250 75.782 18.170 2.054 1.00 72.80 C +ATOM 4739 CG1 VAL B 250 75.373 18.504 0.639 1.00 72.06 C +ATOM 4740 CG2 VAL B 250 75.513 19.366 2.942 1.00 73.02 C +ATOM 4741 N THR B 251 76.174 15.002 1.744 1.00 72.43 N +ATOM 4742 CA THR B 251 76.409 13.864 0.857 1.00 70.90 C +ATOM 4743 C THR B 251 75.287 12.835 0.990 1.00 71.00 C +ATOM 4744 O THR B 251 74.800 12.324 -0.027 1.00 71.06 O +ATOM 4745 CB THR B 251 77.762 13.179 1.179 1.00 70.17 C +ATOM 4746 OG1 THR B 251 78.829 14.113 0.991 1.00 69.85 O +ATOM 4747 CG2 THR B 251 77.994 11.995 0.269 1.00 69.39 C +ATOM 4748 N ARG B 252 74.880 12.548 2.229 1.00 70.31 N +ATOM 4749 CA ARG B 252 73.833 11.568 2.526 1.00 69.14 C +ATOM 4750 C ARG B 252 72.516 12.013 1.970 1.00 67.33 C +ATOM 4751 O ARG B 252 71.722 11.185 1.534 1.00 67.36 O +ATOM 4752 CB ARG B 252 73.757 11.364 4.026 1.00 70.35 C +ATOM 4753 CG ARG B 252 75.110 10.978 4.549 1.00 74.12 C +ATOM 4754 CD ARG B 252 75.223 11.122 6.034 1.00 78.05 C +ATOM 4755 NE ARG B 252 74.390 10.151 6.719 1.00 82.92 N +ATOM 4756 CZ ARG B 252 74.400 9.951 8.034 1.00 85.55 C +ATOM 4757 NH1 ARG B 252 75.213 10.664 8.814 1.00 86.27 N +ATOM 4758 NH2 ARG B 252 73.595 9.035 8.566 1.00 87.07 N +ATOM 4759 N MET B 253 72.263 13.312 1.990 1.00 64.91 N +ATOM 4760 CA MET B 253 71.036 13.798 1.408 1.00 62.48 C +ATOM 4761 C MET B 253 71.128 13.485 -0.067 1.00 61.85 C +ATOM 4762 O MET B 253 70.246 12.840 -0.621 1.00 62.07 O +ATOM 4763 CB MET B 253 70.904 15.294 1.611 1.00 60.29 C +ATOM 4764 CG MET B 253 69.731 15.838 0.903 1.00 57.71 C +ATOM 4765 SD MET B 253 69.388 17.394 1.560 1.00 56.85 S +ATOM 4766 CE MET B 253 68.504 18.102 0.231 1.00 56.81 C +ATOM 4767 N VAL B 254 72.222 13.920 -0.685 1.00 60.66 N +ATOM 4768 CA VAL B 254 72.474 13.693 -2.103 1.00 59.52 C +ATOM 4769 C VAL B 254 72.255 12.225 -2.466 1.00 58.79 C +ATOM 4770 O VAL B 254 71.741 11.933 -3.545 1.00 58.69 O +ATOM 4771 CB VAL B 254 73.918 14.139 -2.470 1.00 59.39 C +ATOM 4772 CG1 VAL B 254 74.363 13.530 -3.794 1.00 59.30 C +ATOM 4773 CG2 VAL B 254 73.954 15.646 -2.571 1.00 58.55 C +ATOM 4774 N ILE B 255 72.625 11.309 -1.578 1.00 58.24 N +ATOM 4775 CA ILE B 255 72.446 9.880 -1.847 1.00 57.63 C +ATOM 4776 C ILE B 255 70.983 9.521 -1.779 1.00 57.32 C +ATOM 4777 O ILE B 255 70.475 8.834 -2.660 1.00 57.37 O +ATOM 4778 CB ILE B 255 73.237 9.006 -0.834 1.00 57.37 C +ATOM 4779 CG1 ILE B 255 74.714 8.996 -1.218 1.00 57.34 C +ATOM 4780 CG2 ILE B 255 72.687 7.593 -0.793 1.00 55.05 C +ATOM 4781 CD1 ILE B 255 75.548 8.111 -0.337 1.00 58.67 C +ATOM 4782 N ILE B 256 70.317 9.980 -0.731 1.00 56.45 N +ATOM 4783 CA ILE B 256 68.903 9.718 -0.551 1.00 55.97 C +ATOM 4784 C ILE B 256 68.112 10.287 -1.708 1.00 56.69 C +ATOM 4785 O ILE B 256 67.132 9.682 -2.125 1.00 56.96 O +ATOM 4786 CB ILE B 256 68.427 10.330 0.757 1.00 54.85 C +ATOM 4787 CG1 ILE B 256 68.846 9.414 1.890 1.00 54.12 C +ATOM 4788 CG2 ILE B 256 66.942 10.585 0.729 1.00 53.91 C +ATOM 4789 CD1 ILE B 256 68.506 7.988 1.626 1.00 54.61 C +ATOM 4790 N MET B 257 68.533 11.440 -2.221 1.00 56.94 N +ATOM 4791 CA MET B 257 67.857 12.072 -3.349 1.00 57.04 C +ATOM 4792 C MET B 257 67.938 11.158 -4.581 1.00 56.92 C +ATOM 4793 O MET B 257 66.985 11.061 -5.363 1.00 57.62 O +ATOM 4794 CB MET B 257 68.503 13.432 -3.639 1.00 57.60 C +ATOM 4795 CG MET B 257 68.188 14.515 -2.598 1.00 58.48 C +ATOM 4796 SD MET B 257 69.052 16.102 -2.894 1.00 61.97 S +ATOM 4797 CE MET B 257 68.312 16.668 -4.422 1.00 60.24 C +ATOM 4798 N VAL B 258 69.072 10.487 -4.742 1.00 56.29 N +ATOM 4799 CA VAL B 258 69.286 9.572 -5.854 1.00 55.39 C +ATOM 4800 C VAL B 258 68.393 8.355 -5.697 1.00 54.66 C +ATOM 4801 O VAL B 258 67.795 7.904 -6.667 1.00 54.05 O +ATOM 4802 CB VAL B 258 70.755 9.142 -5.898 1.00 55.06 C +ATOM 4803 CG1 VAL B 258 70.954 8.043 -6.903 1.00 55.21 C +ATOM 4804 CG2 VAL B 258 71.606 10.332 -6.252 1.00 55.49 C +ATOM 4805 N ILE B 259 68.317 7.827 -4.479 1.00 54.49 N +ATOM 4806 CA ILE B 259 67.482 6.662 -4.184 1.00 53.96 C +ATOM 4807 C ILE B 259 66.048 6.986 -4.556 1.00 53.53 C +ATOM 4808 O ILE B 259 65.439 6.280 -5.358 1.00 53.59 O +ATOM 4809 CB ILE B 259 67.467 6.315 -2.672 1.00 54.36 C +ATOM 4810 CG1 ILE B 259 68.847 6.525 -2.045 1.00 54.35 C +ATOM 4811 CG2 ILE B 259 67.015 4.874 -2.484 1.00 53.68 C +ATOM 4812 CD1 ILE B 259 69.847 5.497 -2.431 1.00 54.41 C +ATOM 4813 N ALA B 260 65.522 8.057 -3.959 1.00 52.41 N +ATOM 4814 CA ALA B 260 64.159 8.505 -4.193 1.00 51.30 C +ATOM 4815 C ALA B 260 63.906 8.599 -5.672 1.00 50.94 C +ATOM 4816 O ALA B 260 62.872 8.166 -6.151 1.00 51.79 O +ATOM 4817 CB ALA B 260 63.937 9.856 -3.531 1.00 50.75 C +ATOM 4818 N PHE B 261 64.857 9.148 -6.406 1.00 50.28 N +ATOM 4819 CA PHE B 261 64.687 9.288 -7.837 1.00 49.38 C +ATOM 4820 C PHE B 261 64.542 7.939 -8.503 1.00 49.58 C +ATOM 4821 O PHE B 261 63.659 7.766 -9.331 1.00 49.61 O +ATOM 4822 CB PHE B 261 65.881 10.020 -8.448 1.00 49.10 C +ATOM 4823 CG PHE B 261 65.787 10.175 -9.937 1.00 48.84 C +ATOM 4824 CD1 PHE B 261 65.138 11.271 -10.496 1.00 48.73 C +ATOM 4825 CD2 PHE B 261 66.291 9.192 -10.786 1.00 48.96 C +ATOM 4826 CE1 PHE B 261 64.988 11.389 -11.885 1.00 49.63 C +ATOM 4827 CE2 PHE B 261 66.146 9.295 -12.179 1.00 49.16 C +ATOM 4828 CZ PHE B 261 65.492 10.398 -12.730 1.00 49.57 C +ATOM 4829 N LEU B 262 65.410 6.995 -8.164 1.00 49.77 N +ATOM 4830 CA LEU B 262 65.382 5.676 -8.788 1.00 50.92 C +ATOM 4831 C LEU B 262 64.088 4.960 -8.486 1.00 50.97 C +ATOM 4832 O LEU B 262 63.518 4.307 -9.358 1.00 51.11 O +ATOM 4833 CB LEU B 262 66.590 4.855 -8.318 1.00 51.67 C +ATOM 4834 CG LEU B 262 67.944 5.449 -8.761 1.00 53.36 C +ATOM 4835 CD1 LEU B 262 69.113 4.622 -8.237 1.00 53.09 C +ATOM 4836 CD2 LEU B 262 67.988 5.509 -10.283 1.00 53.46 C +ATOM 4837 N ILE B 263 63.622 5.089 -7.256 1.00 50.48 N +ATOM 4838 CA ILE B 263 62.376 4.467 -6.836 1.00 50.00 C +ATOM 4839 C ILE B 263 61.233 5.099 -7.601 1.00 50.74 C +ATOM 4840 O ILE B 263 60.181 4.497 -7.785 1.00 51.34 O +ATOM 4841 CB ILE B 263 62.142 4.697 -5.333 1.00 48.55 C +ATOM 4842 CG1 ILE B 263 63.241 4.004 -4.535 1.00 47.59 C +ATOM 4843 CG2 ILE B 263 60.775 4.206 -4.930 1.00 48.18 C +ATOM 4844 CD1 ILE B 263 63.182 4.274 -3.068 1.00 46.97 C +ATOM 4845 N CYS B 264 61.443 6.320 -8.059 1.00 50.43 N +ATOM 4846 CA CYS B 264 60.410 7.027 -8.783 1.00 50.03 C +ATOM 4847 C CYS B 264 60.435 6.699 -10.265 1.00 49.44 C +ATOM 4848 O CYS B 264 59.367 6.610 -10.867 1.00 48.86 O +ATOM 4849 CB CYS B 264 60.616 8.536 -8.607 1.00 50.86 C +ATOM 4850 SG CYS B 264 59.143 9.492 -8.170 1.00 54.67 S +ATOM 4851 N TRP B 265 61.617 6.460 -10.839 1.00 48.03 N +ATOM 4852 CA TRP B 265 61.697 6.297 -12.295 1.00 46.33 C +ATOM 4853 C TRP B 265 62.118 4.956 -12.816 1.00 46.53 C +ATOM 4854 O TRP B 265 61.909 4.705 -14.006 1.00 47.40 O +ATOM 4855 CB TRP B 265 62.610 7.383 -12.889 1.00 44.55 C +ATOM 4856 CG TRP B 265 62.059 8.745 -12.640 1.00 42.09 C +ATOM 4857 CD1 TRP B 265 62.352 9.573 -11.594 1.00 41.74 C +ATOM 4858 CD2 TRP B 265 61.019 9.395 -13.391 1.00 41.55 C +ATOM 4859 NE1 TRP B 265 61.555 10.699 -11.645 1.00 41.57 N +ATOM 4860 CE2 TRP B 265 60.731 10.614 -12.737 1.00 40.71 C +ATOM 4861 CE3 TRP B 265 60.300 9.062 -14.555 1.00 41.60 C +ATOM 4862 CZ2 TRP B 265 59.756 11.501 -13.209 1.00 41.65 C +ATOM 4863 CZ3 TRP B 265 59.333 9.943 -15.020 1.00 39.86 C +ATOM 4864 CH2 TRP B 265 59.071 11.147 -14.347 1.00 41.10 C +ATOM 4865 N LEU B 266 62.726 4.103 -12.015 1.00 45.67 N +ATOM 4866 CA LEU B 266 63.083 2.822 -12.587 1.00 45.44 C +ATOM 4867 C LEU B 266 61.818 2.098 -12.954 1.00 46.05 C +ATOM 4868 O LEU B 266 61.716 1.581 -14.057 1.00 47.23 O +ATOM 4869 CB LEU B 266 63.917 1.991 -11.618 1.00 45.39 C +ATOM 4870 CG LEU B 266 65.423 2.098 -11.831 1.00 44.77 C +ATOM 4871 CD1 LEU B 266 65.790 3.519 -12.218 1.00 45.34 C +ATOM 4872 CD2 LEU B 266 66.137 1.686 -10.574 1.00 44.33 C +ATOM 4873 N PRO B 267 60.824 2.058 -12.054 1.00 45.88 N +ATOM 4874 CA PRO B 267 59.627 1.344 -12.477 1.00 45.57 C +ATOM 4875 C PRO B 267 59.069 1.883 -13.781 1.00 45.80 C +ATOM 4876 O PRO B 267 58.723 1.100 -14.646 1.00 46.58 O +ATOM 4877 CB PRO B 267 58.677 1.514 -11.288 1.00 44.92 C +ATOM 4878 CG PRO B 267 59.175 2.743 -10.597 1.00 45.74 C +ATOM 4879 CD PRO B 267 60.661 2.609 -10.700 1.00 45.86 C +ATOM 4880 N TYR B 268 59.011 3.203 -13.939 1.00 45.32 N +ATOM 4881 CA TYR B 268 58.483 3.789 -15.164 1.00 44.94 C +ATOM 4882 C TYR B 268 59.371 3.465 -16.331 1.00 46.26 C +ATOM 4883 O TYR B 268 58.920 2.919 -17.333 1.00 46.46 O +ATOM 4884 CB TYR B 268 58.409 5.294 -15.051 1.00 43.36 C +ATOM 4885 CG TYR B 268 57.960 5.930 -16.332 1.00 42.01 C +ATOM 4886 CD1 TYR B 268 56.610 6.031 -16.635 1.00 42.61 C +ATOM 4887 CD2 TYR B 268 58.878 6.415 -17.250 1.00 41.53 C +ATOM 4888 CE1 TYR B 268 56.178 6.605 -17.815 1.00 42.66 C +ATOM 4889 CE2 TYR B 268 58.465 6.992 -18.439 1.00 41.90 C +ATOM 4890 CZ TYR B 268 57.106 7.088 -18.717 1.00 42.37 C +ATOM 4891 OH TYR B 268 56.662 7.678 -19.883 1.00 42.30 O +ATOM 4892 N ALA B 269 60.638 3.847 -16.208 1.00 46.88 N +ATOM 4893 CA ALA B 269 61.623 3.617 -17.252 1.00 47.53 C +ATOM 4894 C ALA B 269 61.583 2.174 -17.656 1.00 47.92 C +ATOM 4895 O ALA B 269 61.731 1.866 -18.824 1.00 48.54 O +ATOM 4896 CB ALA B 269 63.004 3.978 -16.749 1.00 47.36 C +ATOM 4897 N GLY B 270 61.369 1.296 -16.686 1.00 47.83 N +ATOM 4898 CA GLY B 270 61.311 -0.125 -16.969 1.00 47.42 C +ATOM 4899 C GLY B 270 60.124 -0.516 -17.834 1.00 47.25 C +ATOM 4900 O GLY B 270 60.290 -1.215 -18.824 1.00 47.73 O +ATOM 4901 N VAL B 271 58.920 -0.081 -17.450 1.00 46.34 N +ATOM 4902 CA VAL B 271 57.704 -0.398 -18.197 1.00 44.94 C +ATOM 4903 C VAL B 271 57.832 0.175 -19.579 1.00 44.96 C +ATOM 4904 O VAL B 271 57.469 -0.470 -20.565 1.00 44.18 O +ATOM 4905 CB VAL B 271 56.478 0.226 -17.541 1.00 44.40 C +ATOM 4906 CG1 VAL B 271 55.276 -0.060 -18.363 1.00 45.04 C +ATOM 4907 CG2 VAL B 271 56.293 -0.320 -16.150 1.00 43.76 C +ATOM 4908 N ALA B 272 58.360 1.397 -19.632 1.00 45.64 N +ATOM 4909 CA ALA B 272 58.583 2.140 -20.878 1.00 45.13 C +ATOM 4910 C ALA B 272 59.491 1.364 -21.791 1.00 44.81 C +ATOM 4911 O ALA B 272 59.229 1.266 -22.977 1.00 44.89 O +ATOM 4912 CB ALA B 272 59.207 3.502 -20.575 1.00 44.63 C +ATOM 4913 N PHE B 273 60.567 0.817 -21.242 1.00 45.19 N +ATOM 4914 CA PHE B 273 61.505 0.063 -22.049 1.00 44.71 C +ATOM 4915 C PHE B 273 60.937 -1.277 -22.398 1.00 44.10 C +ATOM 4916 O PHE B 273 61.244 -1.810 -23.444 1.00 44.35 O +ATOM 4917 CB PHE B 273 62.827 -0.134 -21.325 1.00 46.55 C +ATOM 4918 CG PHE B 273 63.901 -0.665 -22.212 1.00 48.53 C +ATOM 4919 CD1 PHE B 273 64.455 0.142 -23.207 1.00 49.50 C +ATOM 4920 CD2 PHE B 273 64.298 -1.995 -22.124 1.00 49.56 C +ATOM 4921 CE1 PHE B 273 65.388 -0.373 -24.112 1.00 50.92 C +ATOM 4922 CE2 PHE B 273 65.233 -2.526 -23.025 1.00 50.61 C +ATOM 4923 CZ PHE B 273 65.777 -1.712 -24.023 1.00 50.47 C +ATOM 4924 N TYR B 274 60.116 -1.838 -21.532 1.00 43.68 N +ATOM 4925 CA TYR B 274 59.540 -3.126 -21.845 1.00 43.68 C +ATOM 4926 C TYR B 274 58.622 -3.010 -23.061 1.00 44.96 C +ATOM 4927 O TYR B 274 58.704 -3.839 -23.966 1.00 46.46 O +ATOM 4928 CB TYR B 274 58.743 -3.648 -20.674 1.00 42.52 C +ATOM 4929 CG TYR B 274 58.025 -4.901 -21.036 1.00 42.76 C +ATOM 4930 CD1 TYR B 274 58.627 -6.140 -20.866 1.00 42.66 C +ATOM 4931 CD2 TYR B 274 56.747 -4.851 -21.599 1.00 44.11 C +ATOM 4932 CE1 TYR B 274 57.979 -7.315 -21.247 1.00 42.56 C +ATOM 4933 CE2 TYR B 274 56.086 -6.018 -21.987 1.00 44.44 C +ATOM 4934 CZ TYR B 274 56.712 -7.249 -21.804 1.00 43.67 C +ATOM 4935 OH TYR B 274 56.054 -8.405 -22.176 1.00 44.70 O +ATOM 4936 N ILE B 275 57.749 -2.004 -23.066 1.00 44.74 N +ATOM 4937 CA ILE B 275 56.806 -1.753 -24.153 1.00 44.24 C +ATOM 4938 C ILE B 275 57.512 -1.439 -25.469 1.00 45.14 C +ATOM 4939 O ILE B 275 57.000 -1.806 -26.519 1.00 45.37 O +ATOM 4940 CB ILE B 275 55.925 -0.555 -23.820 1.00 44.45 C +ATOM 4941 CG1 ILE B 275 54.959 -0.925 -22.696 1.00 45.20 C +ATOM 4942 CG2 ILE B 275 55.243 -0.039 -25.081 1.00 43.57 C +ATOM 4943 CD1 ILE B 275 54.221 0.282 -22.105 1.00 45.29 C +ATOM 4944 N PHE B 276 58.652 -0.747 -25.421 1.00 45.59 N +ATOM 4945 CA PHE B 276 59.397 -0.374 -26.633 1.00 45.33 C +ATOM 4946 C PHE B 276 59.997 -1.604 -27.311 1.00 45.90 C +ATOM 4947 O PHE B 276 60.102 -1.649 -28.542 1.00 47.68 O +ATOM 4948 CB PHE B 276 60.517 0.609 -26.283 1.00 44.11 C +ATOM 4949 CG PHE B 276 61.334 1.046 -27.470 1.00 43.17 C +ATOM 4950 CD1 PHE B 276 60.795 1.895 -28.432 1.00 43.16 C +ATOM 4951 CD2 PHE B 276 62.656 0.634 -27.615 1.00 42.98 C +ATOM 4952 CE1 PHE B 276 61.562 2.331 -29.512 1.00 41.69 C +ATOM 4953 CE2 PHE B 276 63.428 1.068 -28.697 1.00 41.48 C +ATOM 4954 CZ PHE B 276 62.880 1.918 -29.642 1.00 40.83 C +ATOM 4955 N THR B 277 60.376 -2.599 -26.520 1.00 45.33 N +ATOM 4956 CA THR B 277 60.968 -3.816 -27.055 1.00 44.36 C +ATOM 4957 C THR B 277 59.916 -4.933 -27.191 1.00 44.40 C +ATOM 4958 O THR B 277 60.262 -6.088 -27.439 1.00 43.93 O +ATOM 4959 CB THR B 277 62.142 -4.279 -26.146 1.00 44.04 C +ATOM 4960 OG1 THR B 277 61.643 -4.667 -24.851 1.00 42.80 O +ATOM 4961 CG2 THR B 277 63.159 -3.136 -25.988 1.00 43.19 C +ATOM 4962 N HIS B 278 58.645 -4.586 -27.031 1.00 44.13 N +ATOM 4963 CA HIS B 278 57.546 -5.548 -27.140 1.00 44.04 C +ATOM 4964 C HIS B 278 56.292 -4.796 -27.573 1.00 43.77 C +ATOM 4965 O HIS B 278 55.220 -4.979 -27.003 1.00 42.86 O +ATOM 4966 CB HIS B 278 57.275 -6.228 -25.790 1.00 44.88 C +ATOM 4967 CG HIS B 278 58.368 -7.139 -25.311 1.00 46.31 C +ATOM 4968 ND1 HIS B 278 59.203 -6.812 -24.265 1.00 46.99 N +ATOM 4969 CD2 HIS B 278 58.694 -8.407 -25.667 1.00 47.10 C +ATOM 4970 CE1 HIS B 278 59.988 -7.841 -23.993 1.00 47.77 C +ATOM 4971 NE2 HIS B 278 59.699 -8.824 -24.829 1.00 47.19 N +ATOM 4972 N GLN B 279 56.441 -3.956 -28.588 1.00 44.35 N +ATOM 4973 CA GLN B 279 55.347 -3.128 -29.110 1.00 45.61 C +ATOM 4974 C GLN B 279 54.242 -3.986 -29.761 1.00 45.92 C +ATOM 4975 O GLN B 279 54.558 -4.912 -30.476 1.00 47.06 O +ATOM 4976 CB GLN B 279 55.932 -2.119 -30.125 1.00 45.24 C +ATOM 4977 CG GLN B 279 57.412 -1.794 -29.874 1.00 45.81 C +ATOM 4978 CD GLN B 279 57.937 -0.653 -30.723 1.00 46.19 C +ATOM 4979 OE1 GLN B 279 57.762 0.520 -30.395 1.00 47.26 O +ATOM 4980 NE2 GLN B 279 58.585 -0.996 -31.828 1.00 46.15 N +ATOM 4981 N GLY B 280 52.967 -3.690 -29.509 1.00 45.76 N +ATOM 4982 CA GLY B 280 51.900 -4.466 -30.126 1.00 45.49 C +ATOM 4983 C GLY B 280 51.502 -5.716 -29.359 1.00 46.22 C +ATOM 4984 O GLY B 280 50.473 -6.342 -29.651 1.00 45.55 O +ATOM 4985 N SER B 281 52.326 -6.078 -28.382 1.00 46.61 N +ATOM 4986 CA SER B 281 52.061 -7.240 -27.550 1.00 47.61 C +ATOM 4987 C SER B 281 50.846 -6.945 -26.735 1.00 48.19 C +ATOM 4988 O SER B 281 50.286 -5.835 -26.834 1.00 49.31 O +ATOM 4989 CB SER B 281 53.234 -7.543 -26.622 1.00 47.58 C +ATOM 4990 OG SER B 281 53.418 -6.505 -25.674 1.00 48.40 O +ATOM 4991 N ASP B 282 50.473 -7.889 -25.876 1.00 48.12 N +ATOM 4992 CA ASP B 282 49.246 -7.748 -25.103 1.00 47.14 C +ATOM 4993 C ASP B 282 49.362 -7.239 -23.679 1.00 45.94 C +ATOM 4994 O ASP B 282 49.389 -8.029 -22.744 1.00 46.73 O +ATOM 4995 CB ASP B 282 48.499 -9.072 -25.099 1.00 48.23 C +ATOM 4996 CG ASP B 282 47.029 -8.879 -24.880 1.00 50.27 C +ATOM 4997 OD1 ASP B 282 46.599 -7.698 -24.898 1.00 50.81 O +ATOM 4998 OD2 ASP B 282 46.313 -9.895 -24.701 1.00 51.89 O +ATOM 4999 N PHE B 283 49.378 -5.922 -23.519 1.00 44.03 N +ATOM 5000 CA PHE B 283 49.412 -5.308 -22.201 1.00 41.77 C +ATOM 5001 C PHE B 283 48.206 -4.400 -22.135 1.00 40.77 C +ATOM 5002 O PHE B 283 47.757 -3.923 -23.183 1.00 41.09 O +ATOM 5003 CB PHE B 283 50.696 -4.505 -22.006 1.00 41.63 C +ATOM 5004 CG PHE B 283 50.992 -3.555 -23.123 1.00 42.07 C +ATOM 5005 CD1 PHE B 283 51.752 -3.958 -24.211 1.00 41.80 C +ATOM 5006 CD2 PHE B 283 50.492 -2.261 -23.105 1.00 42.74 C +ATOM 5007 CE1 PHE B 283 52.009 -3.090 -25.261 1.00 42.05 C +ATOM 5008 CE2 PHE B 283 50.746 -1.382 -24.158 1.00 42.10 C +ATOM 5009 CZ PHE B 283 51.503 -1.800 -25.234 1.00 42.22 C +ATOM 5010 N GLY B 284 47.666 -4.170 -20.941 1.00 40.01 N +ATOM 5011 CA GLY B 284 46.492 -3.321 -20.814 1.00 38.38 C +ATOM 5012 C GLY B 284 46.803 -1.932 -20.316 1.00 38.17 C +ATOM 5013 O GLY B 284 47.954 -1.587 -20.156 1.00 38.63 O +ATOM 5014 N PRO B 285 45.781 -1.110 -20.058 1.00 38.19 N +ATOM 5015 CA PRO B 285 45.956 0.260 -19.572 1.00 38.64 C +ATOM 5016 C PRO B 285 46.569 0.406 -18.187 1.00 40.21 C +ATOM 5017 O PRO B 285 47.346 1.326 -17.965 1.00 41.47 O +ATOM 5018 CB PRO B 285 44.541 0.835 -19.651 1.00 37.92 C +ATOM 5019 CG PRO B 285 43.679 -0.360 -19.450 1.00 36.97 C +ATOM 5020 CD PRO B 285 44.358 -1.402 -20.294 1.00 37.50 C +ATOM 5021 N ILE B 286 46.239 -0.492 -17.263 1.00 41.36 N +ATOM 5022 CA ILE B 286 46.767 -0.420 -15.893 1.00 41.30 C +ATOM 5023 C ILE B 286 48.270 -0.585 -15.881 1.00 41.54 C +ATOM 5024 O ILE B 286 48.972 0.006 -15.039 1.00 42.39 O +ATOM 5025 CB ILE B 286 46.161 -1.510 -15.012 1.00 40.81 C +ATOM 5026 CG1 ILE B 286 44.637 -1.404 -15.048 1.00 41.59 C +ATOM 5027 CG2 ILE B 286 46.682 -1.376 -13.601 1.00 40.56 C +ATOM 5028 CD1 ILE B 286 44.098 -0.024 -14.690 1.00 42.26 C +ATOM 5029 N PHE B 287 48.749 -1.408 -16.808 1.00 41.41 N +ATOM 5030 CA PHE B 287 50.163 -1.697 -16.971 1.00 40.33 C +ATOM 5031 C PHE B 287 51.004 -0.422 -16.794 1.00 40.77 C +ATOM 5032 O PHE B 287 51.837 -0.369 -15.885 1.00 40.87 O +ATOM 5033 CB PHE B 287 50.390 -2.322 -18.360 1.00 38.72 C +ATOM 5034 CG PHE B 287 51.790 -2.792 -18.600 1.00 36.76 C +ATOM 5035 CD1 PHE B 287 52.479 -3.505 -17.628 1.00 36.46 C +ATOM 5036 CD2 PHE B 287 52.412 -2.558 -19.813 1.00 36.93 C +ATOM 5037 CE1 PHE B 287 53.770 -3.983 -17.857 1.00 36.54 C +ATOM 5038 CE2 PHE B 287 53.706 -3.031 -20.058 1.00 37.69 C +ATOM 5039 CZ PHE B 287 54.382 -3.746 -19.074 1.00 37.03 C +ATOM 5040 N MET B 288 50.782 0.606 -17.609 1.00 40.67 N +ATOM 5041 CA MET B 288 51.602 1.803 -17.487 1.00 40.31 C +ATOM 5042 C MET B 288 50.972 2.872 -16.608 1.00 40.71 C +ATOM 5043 O MET B 288 51.688 3.805 -16.228 1.00 41.68 O +ATOM 5044 CB MET B 288 51.924 2.379 -18.878 1.00 39.59 C +ATOM 5045 CG MET B 288 52.800 3.642 -18.879 1.00 39.33 C +ATOM 5046 SD MET B 288 54.416 3.432 -18.078 1.00 40.00 S +ATOM 5047 CE MET B 288 55.527 3.771 -19.447 1.00 37.30 C +ATOM 5048 N THR B 289 49.692 2.767 -16.253 1.00 39.60 N +ATOM 5049 CA THR B 289 49.102 3.824 -15.419 1.00 38.65 C +ATOM 5050 C THR B 289 49.757 3.930 -14.039 1.00 39.15 C +ATOM 5051 O THR B 289 50.011 5.031 -13.567 1.00 39.02 O +ATOM 5052 CB THR B 289 47.604 3.627 -15.214 1.00 37.64 C +ATOM 5053 OG1 THR B 289 46.943 3.745 -16.472 1.00 36.71 O +ATOM 5054 CG2 THR B 289 47.059 4.670 -14.263 1.00 35.50 C +ATOM 5055 N ILE B 290 50.051 2.810 -13.398 1.00 39.60 N +ATOM 5056 CA ILE B 290 50.632 2.870 -12.065 1.00 39.63 C +ATOM 5057 C ILE B 290 52.011 3.511 -12.033 1.00 39.92 C +ATOM 5058 O ILE B 290 52.171 4.554 -11.395 1.00 40.39 O +ATOM 5059 CB ILE B 290 50.711 1.497 -11.445 1.00 40.11 C +ATOM 5060 CG1 ILE B 290 49.384 0.750 -11.653 1.00 39.70 C +ATOM 5061 CG2 ILE B 290 51.101 1.653 -9.987 1.00 40.97 C +ATOM 5062 CD1 ILE B 290 48.168 1.468 -11.149 1.00 38.73 C +ATOM 5063 N PRO B 291 53.031 2.891 -12.659 1.00 39.85 N +ATOM 5064 CA PRO B 291 54.341 3.545 -12.611 1.00 39.74 C +ATOM 5065 C PRO B 291 54.347 4.975 -13.166 1.00 39.92 C +ATOM 5066 O PRO B 291 55.236 5.752 -12.799 1.00 40.39 O +ATOM 5067 CB PRO B 291 55.239 2.590 -13.405 1.00 39.32 C +ATOM 5068 CG PRO B 291 54.307 1.999 -14.398 1.00 40.03 C +ATOM 5069 CD PRO B 291 53.081 1.716 -13.547 1.00 39.63 C +ATOM 5070 N ALA B 292 53.372 5.329 -14.016 1.00 39.75 N +ATOM 5071 CA ALA B 292 53.314 6.675 -14.602 1.00 39.20 C +ATOM 5072 C ALA B 292 52.758 7.692 -13.604 1.00 39.15 C +ATOM 5073 O ALA B 292 53.348 8.783 -13.428 1.00 39.70 O +ATOM 5074 CB ALA B 292 52.477 6.669 -15.888 1.00 38.99 C +ATOM 5075 N PHE B 293 51.651 7.360 -12.940 1.00 39.27 N +ATOM 5076 CA PHE B 293 51.077 8.288 -11.983 1.00 39.44 C +ATOM 5077 C PHE B 293 51.862 8.258 -10.706 1.00 39.90 C +ATOM 5078 O PHE B 293 51.844 9.235 -9.974 1.00 39.60 O +ATOM 5079 CB PHE B 293 49.604 7.978 -11.720 1.00 38.70 C +ATOM 5080 CG PHE B 293 48.654 8.642 -12.701 1.00 38.37 C +ATOM 5081 CD1 PHE B 293 48.544 8.200 -14.026 1.00 38.24 C +ATOM 5082 CD2 PHE B 293 47.869 9.726 -12.304 1.00 38.18 C +ATOM 5083 CE1 PHE B 293 47.656 8.836 -14.946 1.00 39.09 C +ATOM 5084 CE2 PHE B 293 46.982 10.369 -13.215 1.00 38.14 C +ATOM 5085 CZ PHE B 293 46.879 9.919 -14.534 1.00 37.91 C +ATOM 5086 N PHE B 294 52.561 7.159 -10.436 1.00 40.42 N +ATOM 5087 CA PHE B 294 53.366 7.079 -9.217 1.00 40.97 C +ATOM 5088 C PHE B 294 54.568 8.002 -9.314 1.00 42.24 C +ATOM 5089 O PHE B 294 54.963 8.594 -8.312 1.00 43.33 O +ATOM 5090 CB PHE B 294 53.866 5.662 -8.970 1.00 39.37 C +ATOM 5091 CG PHE B 294 54.930 5.583 -7.917 1.00 38.59 C +ATOM 5092 CD1 PHE B 294 54.641 5.901 -6.592 1.00 39.12 C +ATOM 5093 CD2 PHE B 294 56.234 5.228 -8.249 1.00 40.05 C +ATOM 5094 CE1 PHE B 294 55.639 5.866 -5.606 1.00 40.62 C +ATOM 5095 CE2 PHE B 294 57.237 5.191 -7.275 1.00 40.30 C +ATOM 5096 CZ PHE B 294 56.935 5.512 -5.948 1.00 40.10 C +ATOM 5097 N ALA B 295 55.145 8.114 -10.511 1.00 42.91 N +ATOM 5098 CA ALA B 295 56.318 8.958 -10.742 1.00 42.73 C +ATOM 5099 C ALA B 295 55.978 10.423 -10.581 1.00 43.02 C +ATOM 5100 O ALA B 295 56.878 11.205 -10.289 1.00 44.20 O +ATOM 5101 CB ALA B 295 56.878 8.707 -12.126 1.00 42.04 C +ATOM 5102 N LYS B 296 54.719 10.813 -10.754 1.00 42.77 N +ATOM 5103 CA LYS B 296 54.375 12.221 -10.602 1.00 41.95 C +ATOM 5104 C LYS B 296 54.634 12.691 -9.198 1.00 42.06 C +ATOM 5105 O LYS B 296 54.470 13.863 -8.947 1.00 42.14 O +ATOM 5106 CB LYS B 296 52.960 12.449 -10.936 1.00 41.19 C +ATOM 5107 CG LYS B 296 52.760 12.039 -12.360 1.00 40.69 C +ATOM 5108 CD LYS B 296 51.286 12.132 -12.720 1.00 40.24 C +ATOM 5109 CE LYS B 296 50.845 12.059 -14.181 1.00 39.89 C +ATOM 5110 NZ LYS B 296 51.767 12.006 -15.339 1.00 40.48 N +ATOM 5111 N THR B 297 54.989 11.801 -8.273 1.00 42.61 N +ATOM 5112 CA THR B 297 55.296 12.245 -6.913 1.00 43.66 C +ATOM 5113 C THR B 297 56.685 12.906 -6.920 1.00 44.51 C +ATOM 5114 O THR B 297 57.151 13.427 -5.895 1.00 45.54 O +ATOM 5115 CB THR B 297 55.287 11.078 -5.865 1.00 43.34 C +ATOM 5116 OG1 THR B 297 56.192 10.039 -6.267 1.00 44.61 O +ATOM 5117 CG2 THR B 297 53.902 10.521 -5.710 1.00 42.59 C +ATOM 5118 N SER B 298 57.341 12.886 -8.076 1.00 44.44 N +ATOM 5119 CA SER B 298 58.655 13.491 -8.218 1.00 43.83 C +ATOM 5120 C SER B 298 58.540 15.000 -8.044 1.00 44.20 C +ATOM 5121 O SER B 298 59.533 15.666 -7.786 1.00 45.11 O +ATOM 5122 CB SER B 298 59.219 13.167 -9.604 1.00 42.83 C +ATOM 5123 OG SER B 298 58.340 13.609 -10.622 1.00 41.96 O +ATOM 5124 N ALA B 299 57.331 15.529 -8.178 1.00 43.63 N +ATOM 5125 CA ALA B 299 57.115 16.957 -8.051 1.00 43.86 C +ATOM 5126 C ALA B 299 57.040 17.378 -6.597 1.00 44.31 C +ATOM 5127 O ALA B 299 56.852 18.568 -6.322 1.00 45.28 O +ATOM 5128 CB ALA B 299 55.844 17.351 -8.775 1.00 42.72 C +ATOM 5129 N VAL B 300 57.244 16.452 -5.652 1.00 44.30 N +ATOM 5130 CA VAL B 300 57.155 16.857 -4.245 1.00 44.07 C +ATOM 5131 C VAL B 300 58.119 16.164 -3.282 1.00 43.78 C +ATOM 5132 O VAL B 300 58.427 16.745 -2.268 1.00 44.66 O +ATOM 5133 CB VAL B 300 55.700 16.672 -3.670 1.00 44.47 C +ATOM 5134 CG1 VAL B 300 54.656 17.301 -4.593 1.00 43.82 C +ATOM 5135 CG2 VAL B 300 55.390 15.204 -3.482 1.00 45.42 C +ATOM 5136 N TYR B 301 58.620 14.975 -3.564 1.00 43.78 N +ATOM 5137 CA TYR B 301 59.458 14.312 -2.561 1.00 44.45 C +ATOM 5138 C TYR B 301 60.766 15.009 -2.288 1.00 44.93 C +ATOM 5139 O TYR B 301 61.314 14.836 -1.207 1.00 45.63 O +ATOM 5140 CB TYR B 301 59.737 12.861 -2.958 1.00 45.71 C +ATOM 5141 CG TYR B 301 60.718 12.707 -4.098 1.00 46.31 C +ATOM 5142 CD1 TYR B 301 62.091 12.841 -3.886 1.00 47.85 C +ATOM 5143 CD2 TYR B 301 60.277 12.440 -5.399 1.00 46.21 C +ATOM 5144 CE1 TYR B 301 63.000 12.715 -4.945 1.00 47.92 C +ATOM 5145 CE2 TYR B 301 61.178 12.312 -6.454 1.00 47.75 C +ATOM 5146 CZ TYR B 301 62.532 12.453 -6.215 1.00 47.83 C +ATOM 5147 OH TYR B 301 63.416 12.341 -7.250 1.00 48.88 O +ATOM 5148 N ASN B 302 61.282 15.778 -3.242 1.00 44.85 N +ATOM 5149 CA ASN B 302 62.566 16.447 -3.043 1.00 44.29 C +ATOM 5150 C ASN B 302 62.522 17.399 -1.884 1.00 44.34 C +ATOM 5151 O ASN B 302 63.348 17.276 -0.977 1.00 44.87 O +ATOM 5152 CB ASN B 302 62.995 17.181 -4.308 1.00 44.74 C +ATOM 5153 CG ASN B 302 63.734 16.293 -5.245 1.00 45.87 C +ATOM 5154 OD1 ASN B 302 63.461 16.257 -6.439 1.00 47.74 O +ATOM 5155 ND2 ASN B 302 64.687 15.557 -4.707 1.00 44.99 N +ATOM 5156 N PRO B 303 61.578 18.366 -1.890 1.00 43.82 N +ATOM 5157 CA PRO B 303 61.505 19.309 -0.783 1.00 42.97 C +ATOM 5158 C PRO B 303 61.397 18.607 0.558 1.00 43.75 C +ATOM 5159 O PRO B 303 61.846 19.136 1.563 1.00 44.59 O +ATOM 5160 CB PRO B 303 60.263 20.132 -1.123 1.00 42.38 C +ATOM 5161 CG PRO B 303 60.271 20.162 -2.593 1.00 42.25 C +ATOM 5162 CD PRO B 303 60.583 18.718 -2.923 1.00 43.77 C +ATOM 5163 N VAL B 304 60.826 17.412 0.585 1.00 44.00 N +ATOM 5164 CA VAL B 304 60.687 16.712 1.853 1.00 44.40 C +ATOM 5165 C VAL B 304 62.027 16.170 2.353 1.00 45.74 C +ATOM 5166 O VAL B 304 62.319 16.256 3.552 1.00 44.90 O +ATOM 5167 CB VAL B 304 59.691 15.562 1.734 1.00 43.41 C +ATOM 5168 CG1 VAL B 304 59.421 14.994 3.119 1.00 42.25 C +ATOM 5169 CG2 VAL B 304 58.404 16.055 1.067 1.00 42.54 C +ATOM 5170 N ILE B 305 62.828 15.603 1.454 1.00 47.55 N +ATOM 5171 CA ILE B 305 64.127 15.072 1.850 1.00 49.56 C +ATOM 5172 C ILE B 305 64.869 16.204 2.508 1.00 50.35 C +ATOM 5173 O ILE B 305 65.346 16.082 3.623 1.00 50.79 O +ATOM 5174 CB ILE B 305 64.968 14.587 0.624 1.00 50.08 C +ATOM 5175 CG1 ILE B 305 64.174 13.594 -0.218 1.00 50.83 C +ATOM 5176 CG2 ILE B 305 66.246 13.901 1.109 1.00 51.19 C +ATOM 5177 CD1 ILE B 305 64.976 12.990 -1.332 1.00 51.52 C +ATOM 5178 N TYR B 306 64.919 17.313 1.788 1.00 50.99 N +ATOM 5179 CA TYR B 306 65.589 18.539 2.176 1.00 52.09 C +ATOM 5180 C TYR B 306 65.266 18.971 3.595 1.00 51.95 C +ATOM 5181 O TYR B 306 66.181 19.157 4.381 1.00 52.30 O +ATOM 5182 CB TYR B 306 65.165 19.613 1.186 1.00 53.79 C +ATOM 5183 CG TYR B 306 66.047 20.831 1.085 1.00 55.21 C +ATOM 5184 CD1 TYR B 306 67.391 20.800 1.468 1.00 54.93 C +ATOM 5185 CD2 TYR B 306 65.559 21.986 0.474 1.00 55.54 C +ATOM 5186 CE1 TYR B 306 68.220 21.891 1.223 1.00 54.91 C +ATOM 5187 CE2 TYR B 306 66.370 23.070 0.226 1.00 55.44 C +ATOM 5188 CZ TYR B 306 67.696 23.024 0.593 1.00 55.15 C +ATOM 5189 OH TYR B 306 68.482 24.108 0.278 1.00 55.63 O +ATOM 5190 N ILE B 307 63.987 19.150 3.914 1.00 51.94 N +ATOM 5191 CA ILE B 307 63.565 19.583 5.251 1.00 51.93 C +ATOM 5192 C ILE B 307 63.977 18.582 6.302 1.00 53.09 C +ATOM 5193 O ILE B 307 64.398 18.955 7.397 1.00 53.86 O +ATOM 5194 CB ILE B 307 62.049 19.713 5.339 1.00 50.99 C +ATOM 5195 CG1 ILE B 307 61.582 20.922 4.538 1.00 50.68 C +ATOM 5196 CG2 ILE B 307 61.626 19.807 6.787 1.00 50.76 C +ATOM 5197 CD1 ILE B 307 60.095 20.954 4.338 1.00 49.82 C +ATOM 5198 N MET B 308 63.831 17.308 5.978 1.00 53.83 N +ATOM 5199 CA MET B 308 64.171 16.253 6.901 1.00 53.92 C +ATOM 5200 C MET B 308 65.672 16.053 6.993 1.00 54.22 C +ATOM 5201 O MET B 308 66.165 15.728 8.072 1.00 53.81 O +ATOM 5202 CB MET B 308 63.507 14.966 6.438 1.00 53.79 C +ATOM 5203 CG MET B 308 62.002 15.035 6.395 1.00 55.46 C +ATOM 5204 SD MET B 308 61.289 13.937 7.630 1.00 59.06 S +ATOM 5205 CE MET B 308 60.806 12.465 6.629 1.00 57.44 C +ATOM 5206 N MET B 309 66.394 16.278 5.892 1.00 55.13 N +ATOM 5207 CA MET B 309 67.840 16.034 5.839 1.00 55.76 C +ATOM 5208 C MET B 309 68.722 17.247 5.813 1.00 56.74 C +ATOM 5209 O MET B 309 69.871 17.095 5.430 1.00 57.84 O +ATOM 5210 CB MET B 309 68.205 15.197 4.615 1.00 55.00 C +ATOM 5211 CG MET B 309 67.666 13.807 4.634 1.00 54.91 C +ATOM 5212 SD MET B 309 68.635 12.723 3.598 1.00 56.88 S +ATOM 5213 CE MET B 309 69.626 11.882 4.804 1.00 55.59 C +ATOM 5214 N ASN B 310 68.263 18.428 6.185 1.00 57.84 N +ATOM 5215 CA ASN B 310 69.196 19.549 6.140 1.00 58.65 C +ATOM 5216 C ASN B 310 68.854 20.583 7.196 1.00 59.93 C +ATOM 5217 O ASN B 310 68.140 21.553 6.933 1.00 59.83 O +ATOM 5218 CB ASN B 310 69.222 20.152 4.736 1.00 58.29 C +ATOM 5219 CG ASN B 310 70.485 20.940 4.470 1.00 58.44 C +ATOM 5220 OD1 ASN B 310 70.506 22.151 4.636 1.00 58.61 O +ATOM 5221 ND2 ASN B 310 71.553 20.249 4.069 1.00 58.42 N +ATOM 5222 N LYS B 311 69.390 20.355 8.394 1.00 61.45 N +ATOM 5223 CA LYS B 311 69.172 21.204 9.564 1.00 62.79 C +ATOM 5224 C LYS B 311 69.198 22.667 9.206 1.00 62.41 C +ATOM 5225 O LYS B 311 68.293 23.408 9.547 1.00 61.94 O +ATOM 5226 CB LYS B 311 70.249 20.902 10.616 1.00 64.69 C +ATOM 5227 CG LYS B 311 70.218 21.773 11.880 1.00 67.08 C +ATOM 5228 CD LYS B 311 69.805 20.976 13.125 1.00 69.42 C +ATOM 5229 CE LYS B 311 70.414 21.556 14.420 1.00 71.59 C +ATOM 5230 NZ LYS B 311 71.895 21.296 14.581 1.00 72.06 N +ATOM 5231 N GLN B 312 70.242 23.081 8.514 1.00 62.67 N +ATOM 5232 CA GLN B 312 70.381 24.472 8.147 1.00 63.35 C +ATOM 5233 C GLN B 312 69.137 24.986 7.494 1.00 62.46 C +ATOM 5234 O GLN B 312 68.585 25.981 7.943 1.00 62.61 O +ATOM 5235 CB GLN B 312 71.581 24.652 7.221 1.00 65.21 C +ATOM 5236 CG GLN B 312 71.709 26.057 6.666 1.00 67.87 C +ATOM 5237 CD GLN B 312 72.992 26.251 5.885 1.00 69.47 C +ATOM 5238 OE1 GLN B 312 73.177 27.267 5.197 1.00 70.28 O +ATOM 5239 NE2 GLN B 312 73.896 25.275 5.988 1.00 69.92 N +ATOM 5240 N PHE B 313 68.698 24.310 6.439 1.00 61.64 N +ATOM 5241 CA PHE B 313 67.509 24.713 5.707 1.00 60.85 C +ATOM 5242 C PHE B 313 66.279 24.628 6.586 1.00 61.16 C +ATOM 5243 O PHE B 313 65.448 25.541 6.586 1.00 61.40 O +ATOM 5244 CB PHE B 313 67.295 23.822 4.489 1.00 59.28 C +ATOM 5245 CG PHE B 313 66.069 24.183 3.703 1.00 57.46 C +ATOM 5246 CD1 PHE B 313 65.991 25.403 3.032 1.00 56.42 C +ATOM 5247 CD2 PHE B 313 64.973 23.333 3.668 1.00 57.02 C +ATOM 5248 CE1 PHE B 313 64.845 25.773 2.339 1.00 55.62 C +ATOM 5249 CE2 PHE B 313 63.819 23.699 2.975 1.00 56.02 C +ATOM 5250 CZ PHE B 313 63.760 24.922 2.311 1.00 56.21 C +ATOM 5251 N ARG B 314 66.158 23.525 7.315 1.00 61.30 N +ATOM 5252 CA ARG B 314 65.025 23.296 8.202 1.00 61.62 C +ATOM 5253 C ARG B 314 64.836 24.489 9.147 1.00 62.42 C +ATOM 5254 O ARG B 314 63.777 25.115 9.129 1.00 62.82 O +ATOM 5255 CB ARG B 314 65.265 22.008 9.006 1.00 60.89 C +ATOM 5256 CG ARG B 314 64.032 21.395 9.683 1.00 59.40 C +ATOM 5257 CD ARG B 314 64.452 20.311 10.675 1.00 57.86 C +ATOM 5258 NE ARG B 314 65.364 19.336 10.086 1.00 57.12 N +ATOM 5259 CZ ARG B 314 66.449 18.869 10.694 1.00 57.14 C +ATOM 5260 NH1 ARG B 314 66.766 19.290 11.909 1.00 57.39 N +ATOM 5261 NH2 ARG B 314 67.211 17.966 10.091 1.00 57.95 N +ATOM 5262 N ASN B 315 65.861 24.803 9.947 1.00 63.27 N +ATOM 5263 CA ASN B 315 65.821 25.894 10.938 1.00 63.16 C +ATOM 5264 C ASN B 315 65.600 27.244 10.296 1.00 62.98 C +ATOM 5265 O ASN B 315 64.863 28.077 10.830 1.00 63.00 O +ATOM 5266 CB ASN B 315 67.129 25.909 11.757 1.00 63.57 C +ATOM 5267 CG ASN B 315 67.194 24.772 12.786 1.00 64.09 C +ATOM 5268 OD1 ASN B 315 68.264 24.398 13.252 1.00 64.42 O +ATOM 5269 ND2 ASN B 315 66.034 24.234 13.150 1.00 64.62 N +ATOM 5270 N CYS B 316 66.226 27.467 9.153 1.00 62.86 N +ATOM 5271 CA CYS B 316 66.100 28.736 8.476 1.00 62.87 C +ATOM 5272 C CYS B 316 64.691 28.888 7.887 1.00 62.70 C +ATOM 5273 O CYS B 316 64.210 29.994 7.724 1.00 62.65 O +ATOM 5274 CB CYS B 316 67.257 28.844 7.465 1.00 62.54 C +ATOM 5275 SG CYS B 316 68.883 28.708 8.393 1.00 63.00 S +ATOM 5276 N MET B 317 64.008 27.773 7.643 1.00 63.35 N +ATOM 5277 CA MET B 317 62.636 27.788 7.110 1.00 63.56 C +ATOM 5278 C MET B 317 61.601 28.123 8.201 1.00 64.30 C +ATOM 5279 O MET B 317 60.690 28.921 7.969 1.00 63.66 O +ATOM 5280 CB MET B 317 62.294 26.426 6.508 1.00 63.12 C +ATOM 5281 CG MET B 317 60.799 26.114 6.517 1.00 62.72 C +ATOM 5282 SD MET B 317 60.402 24.473 5.861 1.00 64.67 S +ATOM 5283 CE MET B 317 60.324 23.427 7.377 1.00 63.34 C +ATOM 5284 N VAL B 318 61.721 27.488 9.365 1.00 65.21 N +ATOM 5285 CA VAL B 318 60.814 27.735 10.479 1.00 66.31 C +ATOM 5286 C VAL B 318 60.974 29.174 10.930 1.00 67.15 C +ATOM 5287 O VAL B 318 60.058 29.749 11.517 1.00 67.37 O +ATOM 5288 CB VAL B 318 61.110 26.786 11.653 1.00 66.46 C +ATOM 5289 CG1 VAL B 318 62.577 26.814 11.980 1.00 66.71 C +ATOM 5290 CG2 VAL B 318 60.292 27.190 12.866 1.00 67.02 C +ATOM 5291 N THR B 319 62.141 29.749 10.663 1.00 67.92 N +ATOM 5292 CA THR B 319 62.377 31.134 11.010 1.00 68.90 C +ATOM 5293 C THR B 319 61.478 31.958 10.110 1.00 69.12 C +ATOM 5294 O THR B 319 60.972 32.993 10.532 1.00 69.70 O +ATOM 5295 CB THR B 319 63.841 31.526 10.763 1.00 69.71 C +ATOM 5296 OG1 THR B 319 64.710 30.614 11.444 1.00 70.12 O +ATOM 5297 CG2 THR B 319 64.100 32.901 11.288 1.00 69.85 C +ATOM 5298 N THR B 320 61.275 31.487 8.880 1.00 68.87 N +ATOM 5299 CA THR B 320 60.416 32.168 7.909 1.00 69.18 C +ATOM 5300 C THR B 320 58.959 31.951 8.271 1.00 70.21 C +ATOM 5301 O THR B 320 58.130 32.823 8.049 1.00 69.53 O +ATOM 5302 CB THR B 320 60.649 31.639 6.477 1.00 68.42 C +ATOM 5303 OG1 THR B 320 61.975 31.963 6.060 1.00 68.18 O +ATOM 5304 CG2 THR B 320 59.670 32.259 5.500 1.00 67.46 C +ATOM 5305 N LEU B 321 58.650 30.793 8.837 1.00 72.15 N +ATOM 5306 CA LEU B 321 57.280 30.480 9.209 1.00 74.95 C +ATOM 5307 C LEU B 321 56.871 31.172 10.493 1.00 77.24 C +ATOM 5308 O LEU B 321 55.675 31.413 10.690 1.00 77.33 O +ATOM 5309 CB LEU B 321 57.097 28.973 9.368 1.00 74.23 C +ATOM 5310 CG LEU B 321 57.230 28.102 8.121 1.00 73.39 C +ATOM 5311 CD1 LEU B 321 57.180 26.666 8.576 1.00 73.50 C +ATOM 5312 CD2 LEU B 321 56.121 28.385 7.107 1.00 72.41 C +ATOM 5313 N CYS B 322 57.819 31.478 11.374 1.00 79.71 N +ATOM 5314 CA CYS B 322 57.446 32.148 12.611 1.00 82.76 C +ATOM 5315 C CYS B 322 57.412 33.597 12.349 1.00 84.91 C +ATOM 5316 O CYS B 322 57.657 34.404 13.244 1.00 85.31 O +ATOM 5317 CB CYS B 322 58.339 31.785 13.775 1.00 82.15 C +ATOM 5318 SG CYS B 322 58.097 30.038 14.099 1.00 83.70 S +ATOM 5319 N CYS B 323 57.050 33.904 11.103 1.00 87.68 N +ATOM 5320 CA CYS B 323 56.937 35.263 10.612 1.00 91.25 C +ATOM 5321 C CYS B 323 58.202 35.981 10.970 1.00 93.21 C +ATOM 5322 O CYS B 323 59.131 36.063 10.150 1.00 93.70 O +ATOM 5323 CB CYS B 323 55.720 35.937 11.230 1.00 90.94 C +ATOM 5324 SG CYS B 323 54.165 35.110 10.801 1.00 94.03 S +ATOM 5325 N GLY B 324 58.254 36.487 12.196 1.00 95.63 N +ATOM 5326 CA GLY B 324 59.443 37.175 12.650 1.00 98.12 C +ATOM 5327 C GLY B 324 60.564 36.174 12.846 1.00 99.66 C +ATOM 5328 O GLY B 324 60.903 35.409 11.935 1.00 99.36 O +ATOM 5329 N LYS B 325 61.133 36.174 14.047 1.00101.44 N +ATOM 5330 CA LYS B 325 62.228 35.276 14.373 1.00103.24 C +ATOM 5331 C LYS B 325 61.691 34.058 15.109 1.00104.20 C +ATOM 5332 O LYS B 325 60.999 33.235 14.500 1.00104.01 O +ATOM 5333 CB LYS B 325 63.294 36.014 15.217 1.00103.43 C +ATOM 5334 CG LYS B 325 63.855 37.302 14.565 1.00103.40 C +ATOM 5335 CD LYS B 325 64.864 38.022 15.466 1.00102.62 C +ATOM 5336 CE LYS B 325 65.220 39.421 14.944 1.00102.38 C +ATOM 5337 NZ LYS B 325 64.131 40.434 15.114 1.00101.55 N +ATOM 5338 N ASN B 326 61.975 33.960 16.408 1.00105.85 N +ATOM 5339 CA ASN B 326 61.556 32.810 17.208 1.00107.26 C +ATOM 5340 C ASN B 326 62.295 31.602 16.659 1.00108.35 C +ATOM 5341 O ASN B 326 61.662 30.633 16.215 1.00108.30 O +ATOM 5342 CB ASN B 326 60.036 32.585 17.108 1.00106.96 C +ATOM 5343 CG ASN B 326 59.267 33.185 18.280 1.00106.41 C +ATOM 5344 OD1 ASN B 326 59.471 32.812 19.444 1.00105.78 O +ATOM 5345 ND2 ASN B 326 58.370 34.115 17.972 1.00105.86 N +ATOM 5346 N PRO B 327 63.645 31.640 16.673 1.00109.61 N +ATOM 5347 CA PRO B 327 64.402 30.500 16.146 1.00110.49 C +ATOM 5348 C PRO B 327 64.134 29.241 16.943 1.00111.29 C +ATOM 5349 O PRO B 327 64.235 28.138 16.393 1.00111.18 O +ATOM 5350 CB PRO B 327 65.854 30.970 16.259 1.00110.51 C +ATOM 5351 CG PRO B 327 65.829 31.795 17.528 1.00110.19 C +ATOM 5352 CD PRO B 327 64.541 32.598 17.361 1.00109.79 C +ATOM 5353 N LEU B 328 63.763 29.423 18.215 1.00112.33 N +ATOM 5354 CA LEU B 328 63.507 28.330 19.152 1.00113.36 C +ATOM 5355 C LEU B 328 64.433 27.185 18.826 1.00114.59 C +ATOM 5356 O LEU B 328 65.599 27.451 18.531 1.00114.81 O +ATOM 5357 CB LEU B 328 62.034 27.889 19.121 1.00112.90 C +ATOM 5358 CG LEU B 328 60.989 28.806 19.783 1.00112.72 C +ATOM 5359 CD1 LEU B 328 61.462 29.272 21.151 1.00112.16 C +ATOM 5360 CD2 LEU B 328 60.737 30.000 18.898 1.00112.02 C +ATOM 5361 N GLY B 329 63.948 25.945 18.866 1.00115.79 N +ATOM 5362 CA GLY B 329 64.814 24.811 18.568 1.00117.25 C +ATOM 5363 C GLY B 329 66.243 25.039 19.062 1.00118.13 C +ATOM 5364 O GLY B 329 66.451 25.466 20.209 1.00118.44 O +ATOM 5365 N ASP B 330 67.229 24.763 18.205 1.00118.50 N +ATOM 5366 CA ASP B 330 68.635 24.966 18.566 1.00118.49 C +ATOM 5367 C ASP B 330 69.370 25.610 17.407 1.00118.91 C +ATOM 5368 O ASP B 330 70.510 25.219 17.096 1.00118.84 O +ATOM 5369 CB ASP B 330 69.300 23.639 18.942 1.00117.76 C +ATOM 5370 CG ASP B 330 69.872 23.668 20.337 1.00117.38 C +ATOM 5371 OD1 ASP B 330 70.649 24.599 20.629 1.00117.10 O +ATOM 5372 OD2 ASP B 330 69.542 22.773 21.139 1.00117.17 O +ATOM 5373 N ASP B 331 68.718 26.608 16.801 1.00119.37 N +ATOM 5374 CA ASP B 331 69.228 27.342 15.643 1.00119.77 C +ATOM 5375 C ASP B 331 69.917 26.396 14.706 1.00120.58 C +ATOM 5376 O ASP B 331 69.887 25.175 14.920 1.00120.90 O +ATOM 5377 CB ASP B 331 70.195 28.462 16.050 1.00118.40 C +ATOM 5378 CG ASP B 331 69.475 29.725 16.486 1.00117.65 C +ATOM 5379 OD1 ASP B 331 70.055 30.821 16.323 1.00116.75 O +ATOM 5380 OD2 ASP B 331 68.339 29.624 16.998 1.00116.97 O +ATOM 5381 N GLU B 332 70.527 26.935 13.659 1.00121.29 N +ATOM 5382 CA GLU B 332 71.225 26.086 12.713 1.00121.67 C +ATOM 5383 C GLU B 332 72.508 25.564 13.389 1.00121.62 C +ATOM 5384 O GLU B 332 73.102 24.582 12.921 1.00121.44 O +ATOM 5385 CB GLU B 332 71.538 26.897 11.456 1.00121.72 C +ATOM 5386 CG GLU B 332 71.788 26.089 10.191 1.00122.57 C +ATOM 5387 CD GLU B 332 73.021 25.168 10.246 1.00122.84 C +ATOM 5388 OE1 GLU B 332 72.907 24.016 10.728 1.00122.48 O +ATOM 5389 OE2 GLU B 332 74.110 25.595 9.798 1.00122.86 O +ATOM 5390 N ALA B 333 72.890 26.191 14.508 1.00121.24 N +ATOM 5391 CA ALA B 333 74.108 25.842 15.265 1.00120.32 C +ATOM 5392 C ALA B 333 75.293 26.536 14.582 1.00119.37 C +ATOM 5393 O ALA B 333 76.024 27.316 15.226 1.00118.75 O +ATOM 5394 CB ALA B 333 74.317 24.302 15.307 1.00120.25 C +ATOM 5395 N SER B 334 75.467 26.243 13.289 1.00118.03 N +ATOM 5396 CA SER B 334 76.503 26.857 12.449 1.00116.37 C +ATOM 5397 C SER B 334 75.882 28.160 11.934 1.00115.24 C +ATOM 5398 O SER B 334 75.355 28.941 12.743 1.00115.25 O +ATOM 5399 CB SER B 334 76.856 25.945 11.248 1.00115.92 C +ATOM 5400 OG SER B 334 77.244 24.636 11.644 1.00115.53 O +ATOM 5401 N THR B 335 75.917 28.384 10.620 1.00113.56 N +ATOM 5402 CA THR B 335 75.321 29.582 10.017 1.00111.87 C +ATOM 5403 C THR B 335 73.778 29.496 10.162 1.00110.84 C +ATOM 5404 O THR B 335 73.266 28.406 10.348 1.00110.27 O +ATOM 5405 CB THR B 335 75.755 29.695 8.519 1.00111.77 C +ATOM 5406 OG1 THR B 335 75.520 28.445 7.849 1.00111.09 O +ATOM 5407 CG2 THR B 335 77.252 30.037 8.418 1.00111.13 C +ATOM 5408 N THR B 336 73.051 30.615 10.106 1.00109.93 N +ATOM 5409 CA THR B 336 71.582 30.577 10.254 1.00108.82 C +ATOM 5410 C THR B 336 70.893 31.513 9.260 1.00108.43 C +ATOM 5411 O THR B 336 70.058 31.073 8.469 1.00108.18 O +ATOM 5412 CB THR B 336 71.136 30.982 11.692 1.00108.58 C +ATOM 5413 OG1 THR B 336 71.872 32.142 12.122 1.00107.91 O +ATOM 5414 CG2 THR B 336 71.350 29.829 12.672 1.00108.36 C +ATOM 5415 N VAL B 337 71.252 32.794 9.333 1.00108.07 N +ATOM 5416 CA VAL B 337 70.749 33.903 8.498 1.00107.38 C +ATOM 5417 C VAL B 337 69.338 33.796 7.944 1.00106.64 C +ATOM 5418 O VAL B 337 68.621 32.818 8.130 1.00106.10 O +ATOM 5419 CB VAL B 337 71.726 34.249 7.318 1.00107.10 C +ATOM 5420 CG1 VAL B 337 73.066 33.536 7.519 1.00106.83 C +ATOM 5421 CG2 VAL B 337 71.068 33.959 5.967 1.00106.32 C +ATOM 5422 N SER B 338 68.961 34.874 7.268 1.00106.15 N +ATOM 5423 CA SER B 338 67.666 35.014 6.646 1.00105.97 C +ATOM 5424 C SER B 338 67.726 36.215 5.722 1.00106.61 C +ATOM 5425 O SER B 338 68.804 36.491 5.176 1.00106.32 O +ATOM 5426 CB SER B 338 66.604 35.205 7.718 1.00105.01 C +ATOM 5427 OG SER B 338 66.739 34.205 8.719 1.00104.58 O +ATOM 5428 N LYS B 339 66.608 36.924 5.541 1.00107.20 N +ATOM 5429 CA LYS B 339 66.584 38.096 4.654 1.00107.87 C +ATOM 5430 C LYS B 339 67.296 39.266 5.344 1.00109.04 C +ATOM 5431 O LYS B 339 68.060 39.996 4.682 1.00108.83 O +ATOM 5432 CB LYS B 339 65.125 38.472 4.287 1.00106.77 C +ATOM 5433 CG LYS B 339 64.962 39.388 3.043 1.00105.23 C +ATOM 5434 CD LYS B 339 64.392 38.663 1.799 1.00103.89 C +ATOM 5435 CE LYS B 339 62.873 38.420 1.890 1.00103.22 C +ATOM 5436 NZ LYS B 339 62.293 37.667 0.725 1.00101.93 N +ATOM 5437 N THR B 340 67.065 39.428 6.653 1.00110.02 N +ATOM 5438 CA THR B 340 67.685 40.507 7.442 1.00111.06 C +ATOM 5439 C THR B 340 67.996 40.053 8.884 1.00111.59 C +ATOM 5440 O THR B 340 69.133 40.231 9.335 1.00111.84 O +ATOM 5441 CB THR B 340 66.775 41.799 7.490 1.00111.08 C +ATOM 5442 OG1 THR B 340 67.490 42.879 8.116 1.00110.92 O +ATOM 5443 CG2 THR B 340 65.476 41.535 8.266 1.00110.78 C +ATOM 5444 N GLU B 341 67.008 39.479 9.578 1.00111.73 N +ATOM 5445 CA GLU B 341 67.127 39.009 10.975 1.00111.60 C +ATOM 5446 C GLU B 341 68.529 38.489 11.344 1.00111.29 C +ATOM 5447 O GLU B 341 69.280 39.211 12.023 1.00111.27 O +ATOM 5448 CB GLU B 341 66.090 37.915 11.238 1.00112.26 C +ATOM 5449 CG GLU B 341 65.981 36.962 10.076 1.00113.21 C +ATOM 5450 CD GLU B 341 65.442 35.611 10.454 1.00113.69 C +ATOM 5451 OE1 GLU B 341 66.087 34.908 11.274 1.00113.74 O +ATOM 5452 OE2 GLU B 341 64.376 35.254 9.906 1.00113.44 O +ATOM 5453 N THR B 342 68.866 37.258 10.940 1.00110.70 N +ATOM 5454 CA THR B 342 70.179 36.663 11.242 1.00110.06 C +ATOM 5455 C THR B 342 71.041 36.525 9.954 1.00110.41 C +ATOM 5456 O THR B 342 71.994 35.727 9.940 1.00110.83 O +ATOM 5457 CB THR B 342 70.004 35.264 11.995 1.00109.28 C +ATOM 5458 OG1 THR B 342 71.284 34.635 12.188 1.00108.28 O +ATOM 5459 CG2 THR B 342 69.054 34.328 11.229 1.00108.20 C +ATOM 5460 N SER B 343 70.728 37.335 8.925 1.00110.15 N +ATOM 5461 CA SER B 343 71.399 37.366 7.597 1.00109.93 C +ATOM 5462 C SER B 343 72.875 37.834 7.636 1.00109.81 C +ATOM 5463 O SER B 343 73.587 37.723 6.613 1.00109.86 O +ATOM 5464 CB SER B 343 70.608 38.273 6.637 1.00109.67 C +ATOM 5465 OG SER B 343 71.261 38.418 5.383 1.00110.22 O +ATOM 5466 N GLN B 344 73.312 38.357 8.782 1.00109.22 N +ATOM 5467 CA GLN B 344 74.681 38.834 8.999 1.00108.57 C +ATOM 5468 C GLN B 344 75.703 37.781 8.547 1.00108.89 C +ATOM 5469 O GLN B 344 75.746 36.673 9.103 1.00108.34 O +ATOM 5470 CB GLN B 344 74.858 39.144 10.492 1.00107.77 C +ATOM 5471 CG GLN B 344 74.414 37.984 11.396 1.00107.29 C +ATOM 5472 CD GLN B 344 73.902 38.426 12.769 1.00107.32 C +ATOM 5473 OE1 GLN B 344 73.117 39.378 12.878 1.00106.91 O +ATOM 5474 NE2 GLN B 344 74.324 37.715 13.822 1.00106.94 N +ATOM 5475 N VAL B 345 76.519 38.125 7.549 1.00109.33 N +ATOM 5476 CA VAL B 345 77.530 37.200 7.038 1.00109.63 C +ATOM 5477 C VAL B 345 78.789 37.208 7.933 1.00110.06 C +ATOM 5478 O VAL B 345 79.221 38.257 8.430 1.00110.24 O +ATOM 5479 CB VAL B 345 77.918 37.526 5.532 1.00109.45 C +ATOM 5480 CG1 VAL B 345 76.649 37.665 4.683 1.00109.16 C +ATOM 5481 CG2 VAL B 345 78.771 38.794 5.439 1.00109.24 C +ATOM 5482 N ALA B 346 79.343 36.023 8.164 1.00110.17 N +ATOM 5483 CA ALA B 346 80.555 35.865 8.961 1.00110.14 C +ATOM 5484 C ALA B 346 81.415 34.785 8.288 1.00110.47 C +ATOM 5485 O ALA B 346 81.740 33.772 8.921 1.00110.47 O +ATOM 5486 CB ALA B 346 80.190 35.460 10.390 1.00110.01 C +ATOM 5487 N PRO B 347 81.772 34.983 6.993 1.00110.82 N +ATOM 5488 CA PRO B 347 82.581 34.109 6.122 1.00110.66 C +ATOM 5489 C PRO B 347 84.106 33.958 6.347 1.00110.80 C +ATOM 5490 O PRO B 347 84.549 32.981 6.969 1.00110.81 O +ATOM 5491 CB PRO B 347 82.291 34.670 4.728 1.00110.55 C +ATOM 5492 CG PRO B 347 80.942 35.292 4.855 1.00110.42 C +ATOM 5493 CD PRO B 347 81.111 36.012 6.162 1.00110.58 C +ATOM 5494 N ALA B 348 84.888 34.907 5.818 1.00110.90 N +ATOM 5495 CA ALA B 348 86.354 34.868 5.906 1.00110.98 C +ATOM 5496 C ALA B 348 87.006 36.271 6.000 1.00110.95 C +ATOM 5497 O ALA B 348 87.560 36.762 4.981 1.00110.43 O +ATOM 5498 CB ALA B 348 86.912 34.103 4.692 1.00111.35 C +ATOM 5499 OXT ALA B 348 86.976 36.871 7.100 1.00111.04 O +TER 5500 ALA B 348 +HETATM 5501 C1 NAG C 1 60.022 3.630 36.341 1.00 50.53 C +HETATM 5502 C2 NAG C 1 59.172 4.836 36.710 1.00 51.51 C +HETATM 5503 C3 NAG C 1 60.075 6.036 37.005 1.00 52.14 C +HETATM 5504 C4 NAG C 1 61.062 5.669 38.115 1.00 52.59 C +HETATM 5505 C5 NAG C 1 61.831 4.387 37.736 1.00 51.83 C +HETATM 5506 C6 NAG C 1 62.629 3.885 38.903 1.00 52.46 C +HETATM 5507 C7 NAG C 1 57.083 5.681 35.853 1.00 53.07 C +HETATM 5508 C8 NAG C 1 56.137 4.966 36.811 1.00 52.41 C +HETATM 5509 N2 NAG C 1 58.269 5.130 35.619 1.00 52.21 N +HETATM 5510 O3 NAG C 1 59.286 7.146 37.406 1.00 50.44 O +HETATM 5511 O4 NAG C 1 61.986 6.756 38.324 1.00 56.37 O +HETATM 5512 O5 NAG C 1 60.918 3.312 37.408 1.00 51.35 O +HETATM 5513 O6 NAG C 1 61.760 3.429 39.935 1.00 54.58 O +HETATM 5514 O7 NAG C 1 56.725 6.716 35.309 1.00 53.69 O +HETATM 5515 C1 NAG C 2 61.664 7.711 39.289 1.00 60.90 C +HETATM 5516 C2 NAG C 2 62.925 8.088 40.054 1.00 61.90 C +HETATM 5517 C3 NAG C 2 62.651 9.208 41.043 1.00 64.29 C +HETATM 5518 C4 NAG C 2 61.993 10.418 40.372 1.00 66.99 C +HETATM 5519 C5 NAG C 2 60.768 9.930 39.556 1.00 65.90 C +HETATM 5520 C6 NAG C 2 60.094 11.021 38.744 1.00 65.79 C +HETATM 5521 C7 NAG C 2 64.424 6.213 40.301 1.00 59.92 C +HETATM 5522 C8 NAG C 2 65.166 6.678 39.045 1.00 59.27 C +HETATM 5523 N2 NAG C 2 63.415 6.937 40.775 1.00 60.77 N +HETATM 5524 O3 NAG C 2 63.872 9.607 41.641 1.00 64.24 O +HETATM 5525 O4 NAG C 2 61.560 11.336 41.415 1.00 72.20 O +HETATM 5526 O5 NAG C 2 61.146 8.882 38.625 1.00 63.64 O +HETATM 5527 O6 NAG C 2 58.932 11.516 39.410 1.00 68.07 O +HETATM 5528 O7 NAG C 2 64.776 5.178 40.850 1.00 60.17 O +HETATM 5529 C1 MAN C 3 62.066 12.640 41.472 1.00 75.81 C +HETATM 5530 C2 MAN C 3 63.047 12.780 42.671 1.00 77.11 C +HETATM 5531 C3 MAN C 3 63.477 14.243 42.879 1.00 77.99 C +HETATM 5532 C4 MAN C 3 62.270 15.209 42.892 1.00 78.65 C +HETATM 5533 C5 MAN C 3 61.275 14.940 41.748 1.00 78.74 C +HETATM 5534 C6 MAN C 3 61.746 15.411 40.385 1.00 80.04 C +HETATM 5535 O2 MAN C 3 64.208 11.980 42.474 1.00 77.43 O +HETATM 5536 O3 MAN C 3 64.413 14.638 41.879 1.00 77.12 O +HETATM 5537 O4 MAN C 3 61.589 15.131 44.140 1.00 80.17 O +HETATM 5538 O5 MAN C 3 60.931 13.525 41.656 1.00 77.18 O +HETATM 5539 O6 MAN C 3 61.115 16.633 40.029 1.00 81.14 O +HETATM 5540 C1 NAG D 1 49.589 -8.913 30.574 1.00 54.28 C +HETATM 5541 C2 NAG D 1 48.429 -9.294 31.508 1.00 56.95 C +HETATM 5542 C3 NAG D 1 48.089 -10.793 31.338 1.00 58.26 C +HETATM 5543 C4 NAG D 1 47.983 -11.195 29.860 1.00 58.94 C +HETATM 5544 C5 NAG D 1 49.187 -10.704 29.065 1.00 56.96 C +HETATM 5545 C6 NAG D 1 49.029 -10.949 27.577 1.00 56.41 C +HETATM 5546 C7 NAG D 1 48.120 -8.104 33.613 1.00 59.22 C +HETATM 5547 C8 NAG D 1 46.809 -8.524 34.267 1.00 60.42 C +HETATM 5548 N2 NAG D 1 48.784 -9.015 32.898 1.00 57.68 N +HETATM 5549 O3 NAG D 1 46.848 -11.065 31.975 1.00 59.69 O +HETATM 5550 O4 NAG D 1 47.876 -12.623 29.739 1.00 62.78 O +HETATM 5551 O5 NAG D 1 49.313 -9.290 29.230 1.00 55.36 O +HETATM 5552 O6 NAG D 1 48.238 -9.935 26.970 1.00 55.62 O +HETATM 5553 O7 NAG D 1 48.532 -6.954 33.778 1.00 61.49 O +HETATM 5554 C1 NAG D 2 46.626 -13.060 29.352 1.00 66.12 C +HETATM 5555 C2 NAG D 2 46.723 -14.421 28.686 1.00 68.29 C +HETATM 5556 C3 NAG D 2 45.318 -14.864 28.251 1.00 70.27 C +HETATM 5557 C4 NAG D 2 44.344 -14.818 29.451 1.00 70.88 C +HETATM 5558 C5 NAG D 2 44.441 -13.452 30.184 1.00 70.08 C +HETATM 5559 C6 NAG D 2 43.653 -13.395 31.483 1.00 71.03 C +HETATM 5560 C7 NAG D 2 48.903 -14.644 27.728 1.00 69.20 C +HETATM 5561 C8 NAG D 2 49.896 -14.063 26.735 1.00 69.30 C +HETATM 5562 N2 NAG D 2 47.617 -14.363 27.551 1.00 68.52 N +HETATM 5563 O3 NAG D 2 45.365 -16.187 27.717 1.00 71.25 O +HETATM 5564 O4 NAG D 2 43.008 -15.042 28.997 1.00 71.98 O +HETATM 5565 O5 NAG D 2 45.813 -13.164 30.518 1.00 67.64 O +HETATM 5566 O6 NAG D 2 43.647 -12.078 32.027 1.00 73.08 O +HETATM 5567 O7 NAG D 2 49.305 -15.337 28.658 1.00 69.52 O +HETATM 5568 C1 NAG E 1 36.614 0.649 -33.271 1.00 51.34 C +HETATM 5569 C2 NAG E 1 36.944 2.015 -33.861 1.00 52.22 C +HETATM 5570 C3 NAG E 1 35.671 2.811 -34.124 1.00 53.97 C +HETATM 5571 C4 NAG E 1 34.682 1.968 -34.937 1.00 55.84 C +HETATM 5572 C5 NAG E 1 34.421 0.658 -34.195 1.00 53.94 C +HETATM 5573 C6 NAG E 1 33.437 -0.264 -34.890 1.00 53.40 C +HETATM 5574 C7 NAG E 1 39.065 2.927 -33.123 1.00 52.41 C +HETATM 5575 C8 NAG E 1 39.736 2.148 -34.250 1.00 52.09 C +HETATM 5576 N2 NAG E 1 37.763 2.748 -32.917 1.00 51.73 N +HETATM 5577 O3 NAG E 1 36.004 3.993 -34.832 1.00 52.84 O +HETATM 5578 O4 NAG E 1 33.448 2.679 -35.122 1.00 60.25 O +HETATM 5579 O5 NAG E 1 35.659 -0.059 -34.068 1.00 53.26 O +HETATM 5580 O6 NAG E 1 34.049 -0.949 -35.971 1.00 53.40 O +HETATM 5581 O7 NAG E 1 39.742 3.690 -32.430 1.00 53.46 O +HETATM 5582 C1 NAG E 2 33.454 3.776 -35.966 1.00 64.42 C +HETATM 5583 C2 NAG E 2 32.060 3.927 -36.570 1.00 65.80 C +HETATM 5584 C3 NAG E 2 31.894 5.246 -37.298 1.00 68.88 C +HETATM 5585 C4 NAG E 2 32.270 6.398 -36.386 1.00 71.70 C +HETATM 5586 C5 NAG E 2 33.691 6.163 -35.858 1.00 70.14 C +HETATM 5587 C6 NAG E 2 34.163 7.214 -34.881 1.00 69.99 C +HETATM 5588 C7 NAG E 2 31.142 1.774 -36.985 1.00 64.84 C +HETATM 5589 C8 NAG E 2 31.372 0.430 -37.654 1.00 64.71 C +HETATM 5590 N2 NAG E 2 31.780 2.830 -37.467 1.00 64.69 N +HETATM 5591 O3 NAG E 2 30.543 5.396 -37.695 1.00 69.73 O +HETATM 5592 O4 NAG E 2 32.214 7.614 -37.149 1.00 77.95 O +HETATM 5593 O5 NAG E 2 33.761 4.910 -35.151 1.00 66.63 O +HETATM 5594 O6 NAG E 2 35.133 6.672 -33.993 1.00 70.93 O +HETATM 5595 O7 NAG E 2 30.398 1.850 -36.009 1.00 64.78 O +HETATM 5596 C1 BMA E 3 31.651 8.727 -36.549 1.00 83.36 C +HETATM 5597 C2 BMA E 3 32.352 9.952 -37.109 1.00 86.04 C +HETATM 5598 C3 BMA E 3 31.758 11.230 -36.534 1.00 88.33 C +HETATM 5599 C4 BMA E 3 30.232 11.242 -36.806 1.00 88.09 C +HETATM 5600 C5 BMA E 3 29.571 9.922 -36.323 1.00 87.26 C +HETATM 5601 C6 BMA E 3 28.097 9.803 -36.697 1.00 87.13 C +HETATM 5602 O2 BMA E 3 32.208 9.964 -38.525 1.00 85.86 O +HETATM 5603 O3 BMA E 3 32.420 12.336 -37.192 1.00 91.40 O +HETATM 5604 O4 BMA E 3 29.623 12.349 -36.149 1.00 88.57 O +HETATM 5605 O5 BMA E 3 30.252 8.772 -36.895 1.00 85.61 O +HETATM 5606 O6 BMA E 3 27.326 9.284 -35.618 1.00 86.73 O +HETATM 5607 C1 BMA E 4 32.139 13.652 -36.798 1.00 94.34 C +HETATM 5608 C2 BMA E 4 32.482 13.847 -35.322 1.00 95.35 C +HETATM 5609 C3 BMA E 4 32.026 15.273 -34.920 1.00 95.63 C +HETATM 5610 C4 BMA E 4 32.747 16.322 -35.781 1.00 95.78 C +HETATM 5611 C5 BMA E 4 32.595 16.001 -37.299 1.00 95.58 C +HETATM 5612 C6 BMA E 4 33.572 16.805 -38.137 1.00 95.09 C +HETATM 5613 O2 BMA E 4 33.890 13.696 -35.176 1.00 96.68 O +HETATM 5614 O3 BMA E 4 32.239 15.537 -33.533 1.00 94.84 O +HETATM 5615 O4 BMA E 4 32.202 17.608 -35.501 1.00 95.99 O +HETATM 5616 O5 BMA E 4 32.879 14.600 -37.581 1.00 95.42 O +HETATM 5617 O6 BMA E 4 34.917 16.472 -37.810 1.00 94.29 O +HETATM 5618 C1 NAG F 1 49.547 -10.003 -29.179 1.00 58.92 C +HETATM 5619 C2 NAG F 1 50.633 -10.197 -30.243 1.00 61.02 C +HETATM 5620 C3 NAG F 1 51.262 -11.592 -30.143 1.00 62.34 C +HETATM 5621 C4 NAG F 1 51.690 -11.898 -28.692 1.00 63.26 C +HETATM 5622 C5 NAG F 1 50.550 -11.612 -27.715 1.00 61.89 C +HETATM 5623 C6 NAG F 1 51.009 -11.726 -26.281 1.00 61.98 C +HETATM 5624 C7 NAG F 1 50.470 -8.917 -32.289 1.00 63.14 C +HETATM 5625 C8 NAG F 1 49.462 -7.793 -32.511 1.00 64.49 C +HETATM 5626 N2 NAG F 1 50.089 -9.978 -31.576 1.00 62.07 N +HETATM 5627 O3 NAG F 1 52.397 -11.642 -31.001 1.00 61.59 O +HETATM 5628 O4 NAG F 1 52.095 -13.277 -28.565 1.00 67.57 O +HETATM 5629 O5 NAG F 1 50.085 -10.262 -27.879 1.00 60.41 O +HETATM 5630 O6 NAG F 1 52.069 -10.817 -26.019 1.00 62.13 O +HETATM 5631 O7 NAG F 1 51.603 -8.812 -32.757 1.00 63.73 O +HETATM 5632 C1 NAG F 2 53.438 -13.485 -28.281 1.00 72.28 C +HETATM 5633 C2 NAG F 2 53.611 -14.795 -27.504 1.00 73.26 C +HETATM 5634 C3 NAG F 2 55.100 -15.193 -27.374 1.00 74.27 C +HETATM 5635 C4 NAG F 2 55.861 -15.083 -28.711 1.00 75.30 C +HETATM 5636 C5 NAG F 2 55.583 -13.711 -29.350 1.00 75.80 C +HETATM 5637 C6 NAG F 2 56.228 -13.545 -30.720 1.00 76.54 C +HETATM 5638 C7 NAG F 2 52.139 -15.466 -25.719 1.00 73.95 C +HETATM 5639 C8 NAG F 2 52.608 -16.562 -24.774 1.00 74.75 C +HETATM 5640 N2 NAG F 2 53.054 -14.619 -26.176 1.00 73.73 N +HETATM 5641 O3 NAG F 2 55.185 -16.525 -26.896 1.00 74.23 O +HETATM 5642 O4 NAG F 2 57.264 -15.258 -28.497 1.00 75.94 O +HETATM 5643 O5 NAG F 2 54.153 -13.534 -29.526 1.00 75.17 O +HETATM 5644 O6 NAG F 2 55.305 -13.828 -31.773 1.00 76.86 O +HETATM 5645 O7 NAG F 2 50.957 -15.399 -26.036 1.00 74.12 O +HETATM 5646 HG HG A 901 40.411 8.354 5.719 0.89 77.55 HG +HETATM 5647 HG HG A 903 20.184 7.350 3.092 0.75 82.64 HG +HETATM 5648 HG HG A 905 29.301 26.708 -10.434 0.58 74.90 HG +HETATM 5649 ZN ZN A 957 37.135 -1.787 32.041 0.66 35.13 ZN +HETATM 5650 ZN ZN A 959 34.185 19.475 -16.677 0.85 66.76 ZN +HETATM 5651 ZN ZN A 962 28.991 12.960 19.179 0.62 56.73 ZN +HETATM 5652 ZN ZN A2011 43.253 10.256 39.493 0.68 44.04 ZN +HETATM 5653 C1 RET A1296 34.693 6.618 17.693 1.00 41.24 C +HETATM 5654 C2 RET A1296 33.949 6.007 16.481 1.00 41.55 C +HETATM 5655 C3 RET A1296 33.295 6.984 15.554 1.00 41.87 C +HETATM 5656 C4 RET A1296 34.250 8.061 15.075 1.00 41.99 C +HETATM 5657 C5 RET A1296 35.073 8.713 16.182 1.00 41.68 C +HETATM 5658 C6 RET A1296 35.369 8.034 17.402 1.00 41.33 C +HETATM 5659 C7 RET A1296 36.337 8.608 18.406 1.00 40.89 C +HETATM 5660 C8 RET A1296 37.438 9.401 18.258 1.00 42.44 C +HETATM 5661 C9 RET A1296 38.431 9.872 19.234 1.00 42.13 C +HETATM 5662 C10 RET A1296 39.519 10.514 18.702 1.00 41.64 C +HETATM 5663 C11 RET A1296 40.671 10.996 19.451 1.00 42.29 C +HETATM 5664 C12 RET A1296 41.798 11.514 18.826 1.00 40.70 C +HETATM 5665 C13 RET A1296 42.539 11.088 17.607 1.00 39.62 C +HETATM 5666 C14 RET A1296 43.680 11.789 17.413 1.00 38.78 C +HETATM 5667 C15 RET A1296 44.708 11.526 16.458 1.00 40.08 C +HETATM 5668 C16 RET A1296 33.641 6.699 18.830 1.00 40.61 C +HETATM 5669 C17 RET A1296 35.742 5.525 18.087 1.00 41.45 C +HETATM 5670 C18 RET A1296 35.454 10.113 15.758 1.00 41.96 C +HETATM 5671 C19 RET A1296 38.163 9.605 20.709 1.00 43.06 C +HETATM 5672 C20 RET A1296 42.077 9.968 16.702 1.00 39.05 C +HETATM 5673 C1 PLM A1322 42.021 28.592 -13.584 1.00 87.60 C +HETATM 5674 O2 PLM A1322 42.869 29.454 -13.411 1.00 89.73 O +HETATM 5675 C2 PLM A1322 42.446 27.124 -13.590 1.00 87.34 C +HETATM 5676 C3 PLM A1322 42.725 26.569 -12.192 1.00 85.77 C +HETATM 5677 C4 PLM A1322 44.184 26.765 -11.815 1.00 84.59 C +HETATM 5678 C5 PLM A1322 44.326 27.121 -10.368 1.00 83.71 C +HETATM 5679 C6 PLM A1322 45.551 26.455 -9.806 1.00 83.35 C +HETATM 5680 C7 PLM A1322 45.206 25.676 -8.557 1.00 82.80 C +HETATM 5681 C8 PLM A1322 46.302 25.797 -7.493 1.00 81.95 C +HETATM 5682 C9 PLM A1322 45.777 25.469 -6.102 1.00 80.22 C +HETATM 5683 CA PLM A1322 46.247 26.471 -5.081 1.00 77.88 C +HETATM 5684 CB PLM A1322 45.072 27.062 -4.346 1.00 76.06 C +HETATM 5685 CC PLM A1322 45.337 27.124 -2.860 1.00 74.98 C +HETATM 5686 CD PLM A1322 44.180 27.782 -2.145 1.00 74.93 C +HETATM 5687 CE PLM A1322 44.688 28.832 -1.188 1.00 74.67 C +HETATM 5688 CF PLM A1322 44.468 28.432 0.262 1.00 74.29 C +HETATM 5689 CG PLM A1322 44.989 29.495 1.230 1.00 73.57 C +HETATM 5690 C1 PLM A1323 44.074 33.720 -11.543 1.00 95.48 C +HETATM 5691 O2 PLM A1323 43.561 33.494 -12.631 1.00 96.38 O +HETATM 5692 C2 PLM A1323 45.440 33.085 -11.232 1.00 94.68 C +HETATM 5693 C3 PLM A1323 45.411 31.562 -11.089 1.00 93.82 C +HETATM 5694 C4 PLM A1323 45.692 31.116 -9.653 1.00 93.06 C +HETATM 5695 C5 PLM A1323 46.548 29.864 -9.606 1.00 91.93 C +HETATM 5696 C6 PLM A1323 48.039 30.184 -9.576 1.00 91.61 C +HETATM 5697 C7 PLM A1323 48.689 29.830 -10.909 1.00 90.51 C +HETATM 5698 C8 PLM A1323 50.198 30.112 -10.937 1.00 88.48 C +HETATM 5699 C9 PLM A1323 50.683 30.461 -12.356 1.00 86.19 C +HETATM 5700 CA PLM A1323 51.759 29.506 -12.869 1.00 84.90 C +HETATM 5701 CB PLM A1323 53.150 29.859 -12.332 1.00 82.42 C +HETATM 5702 CC PLM A1323 54.243 28.973 -12.933 1.00 80.55 C +HETATM 5703 CD PLM A1323 55.278 28.570 -11.888 1.00 79.25 C +HETATM 5704 CE PLM A1323 56.596 29.286 -12.117 1.00 78.36 C +HETATM 5705 CF PLM A1323 57.494 29.254 -10.889 1.00 77.82 C +HETATM 5706 CG PLM A1323 58.792 30.027 -11.120 1.00 76.68 C +HETATM 5707 C1 PLM A1410 51.106 12.159 3.159 1.00 64.69 C +HETATM 5708 C2 PLM A1410 49.803 12.935 3.419 1.00 65.39 C +HETATM 5709 C3 PLM A1410 48.822 12.350 2.365 1.00 66.54 C +HETATM 5710 C4 PLM A1410 47.319 12.515 2.728 1.00 66.27 C +HETATM 5711 C5 PLM A1410 46.133 11.700 2.180 1.00 65.47 C +HETATM 5712 C6 PLM A1410 44.739 12.186 2.581 1.00 63.66 C +HETATM 5713 C7 PLM A1410 43.676 11.281 1.974 1.00 62.71 C +HETATM 5714 C8 PLM A1410 42.944 11.984 0.861 1.00 62.81 C +HETATM 5715 C9 PLM A1410 41.787 11.303 0.015 1.00 63.12 C +HETATM 5716 CA PLM A1410 40.399 11.317 -0.699 1.00 62.78 C +HETATM 5717 CB PLM A1410 40.085 10.164 -1.239 1.00 62.81 C +HETATM 5718 CC PLM A1410 39.096 9.444 -1.082 1.00 63.02 C +HETATM 5719 CD PLM A1410 38.435 8.341 -0.709 1.00 62.45 C +HETATM 5720 CE PLM A1410 36.993 8.099 -0.828 1.00 61.76 C +HETATM 5721 CF PLM A1410 37.109 6.587 -0.903 1.00 60.59 C +HETATM 5722 CG PLM A1410 36.091 5.654 -1.156 1.00 59.64 C +HETATM 5723 C1 HTG A1507 44.758 -7.784 18.868 1.00 84.14 C +HETATM 5724 S1 HTG A1507 43.410 -7.320 17.636 1.00 84.55 S +HETATM 5725 C2 HTG A1507 45.164 -9.331 18.667 1.00 83.91 C +HETATM 5726 O2 HTG A1507 44.010 -10.186 18.834 1.00 84.65 O +HETATM 5727 C3 HTG A1507 46.317 -9.718 19.713 1.00 83.55 C +HETATM 5728 O3 HTG A1507 46.682 -11.106 19.548 1.00 83.30 O +HETATM 5729 C4 HTG A1507 47.580 -8.755 19.478 1.00 83.58 C +HETATM 5730 O4 HTG A1507 48.639 -9.065 20.406 1.00 83.85 O +HETATM 5731 C5 HTG A1507 47.172 -7.225 19.651 1.00 83.22 C +HETATM 5732 O5 HTG A1507 46.052 -6.932 18.681 1.00 84.77 O +HETATM 5733 C6 HTG A1507 48.407 -6.312 19.370 1.00 82.04 C +HETATM 5734 O6 HTG A1507 49.201 -6.064 20.520 1.00 82.10 O +HETATM 5735 C1' HTG A1507 42.737 -5.591 17.651 1.00 83.37 C +HETATM 5736 C2' HTG A1507 42.052 -5.372 16.304 1.00 82.79 C +HETATM 5737 C3' HTG A1507 41.459 -3.990 16.172 1.00 83.51 C +HETATM 5738 C4' HTG A1507 40.404 -3.950 15.084 1.00 84.57 C +HETATM 5739 C5' HTG A1507 40.837 -3.112 13.903 1.00 86.02 C +HETATM 5740 C6' HTG A1507 39.643 -2.716 13.054 1.00 86.91 C +HETATM 5741 C7' HTG A1507 40.015 -2.629 11.598 1.00 87.43 C +HETATM 5742 HG HG B 902 59.441 8.881 -5.577 0.83 79.32 HG +HETATM 5743 HG HG B 904 79.002 11.326 -5.792 0.66 96.23 HG +HETATM 5744 HG HG B 906 68.056 30.907 8.081 0.36101.31 HG +HETATM 5745 ZN ZN B 956 51.169 9.896 -38.585 0.68 49.41 ZN +HETATM 5746 ZN ZN B 958 60.366 -0.945 -32.311 0.51 29.80 ZN +HETATM 5747 ZN ZN B 963 67.581 15.535 -20.513 0.68 65.73 ZN +HETATM 5748 C1 RET B1296 63.173 7.960 -18.485 1.00 45.71 C +HETATM 5749 C2 RET B1296 64.191 7.475 -17.420 1.00 46.36 C +HETATM 5750 C3 RET B1296 64.851 8.550 -16.590 1.00 46.90 C +HETATM 5751 C4 RET B1296 63.856 9.503 -15.934 1.00 45.73 C +HETATM 5752 C5 RET B1296 62.791 10.041 -16.907 1.00 45.29 C +HETATM 5753 C6 RET B1296 62.383 9.303 -18.071 1.00 44.89 C +HETATM 5754 C7 RET B1296 61.191 9.750 -18.894 1.00 43.63 C +HETATM 5755 C8 RET B1296 60.032 10.383 -18.561 1.00 41.09 C +HETATM 5756 C9 RET B1296 58.877 10.742 -19.380 1.00 40.38 C +HETATM 5757 C10 RET B1296 57.766 11.123 -18.680 1.00 39.98 C +HETATM 5758 C11 RET B1296 56.461 11.458 -19.254 1.00 39.60 C +HETATM 5759 C12 RET B1296 55.339 11.719 -18.478 1.00 37.82 C +HETATM 5760 C13 RET B1296 54.868 11.131 -17.193 1.00 37.90 C +HETATM 5761 C14 RET B1296 53.702 11.705 -16.742 1.00 38.11 C +HETATM 5762 C15 RET B1296 52.861 11.286 -15.639 1.00 39.80 C +HETATM 5763 C16 RET B1296 64.022 8.126 -19.780 1.00 45.30 C +HETATM 5764 C17 RET B1296 62.187 6.753 -18.710 1.00 45.60 C +HETATM 5765 C18 RET B1296 62.311 11.407 -16.440 1.00 46.16 C +HETATM 5766 C19 RET B1296 59.005 10.648 -20.891 1.00 38.83 C +HETATM 5767 C20 RET B1296 55.591 9.993 -16.492 1.00 38.08 C +HETATM 5768 C1 PLM B1322 56.215 30.097 14.240 1.00 82.77 C +HETATM 5769 O2 PLM B1322 55.561 31.134 14.263 1.00 84.00 O +HETATM 5770 C2 PLM B1322 55.462 28.753 14.314 1.00 82.18 C +HETATM 5771 C3 PLM B1322 54.124 28.726 13.538 1.00 81.87 C +HETATM 5772 C4 PLM B1322 54.289 28.254 12.086 1.00 81.59 C +HETATM 5773 C5 PLM B1322 52.966 27.796 11.465 1.00 81.37 C +HETATM 5774 C6 PLM B1322 52.637 26.332 11.795 1.00 80.79 C +HETATM 5775 C7 PLM B1322 53.311 25.349 10.835 1.00 79.92 C +HETATM 5776 C8 PLM B1322 52.306 24.633 9.912 1.00 79.61 C +HETATM 5777 C9 PLM B1322 52.965 24.004 8.663 1.00 79.44 C +HETATM 5778 CA PLM B1322 53.158 24.996 7.504 1.00 79.81 C +HETATM 5779 CB PLM B1322 52.016 24.950 6.484 1.00 79.81 C +HETATM 5780 CC PLM B1322 51.485 26.350 6.138 1.00 80.11 C +HETATM 5781 CD PLM B1322 50.944 26.415 4.710 1.00 80.35 C +HETATM 5782 CE PLM B1322 51.597 27.537 3.913 1.00 80.32 C +HETATM 5783 CF PLM B1322 52.751 27.043 3.032 1.00 80.07 C +HETATM 5784 CG PLM B1322 53.350 28.164 2.171 1.00 78.87 C +HETATM 5785 C1 PLM B1323 53.785 34.215 12.432 1.00 93.06 C +HETATM 5786 O2 PLM B1323 54.498 34.217 13.444 1.00 92.58 O +HETATM 5787 C2 PLM B1323 52.447 33.443 12.467 1.00 93.23 C +HETATM 5788 C3 PLM B1323 52.540 31.943 12.134 1.00 93.47 C +HETATM 5789 C4 PLM B1323 51.168 31.293 11.863 1.00 92.92 C +HETATM 5790 C5 PLM B1323 50.400 30.974 13.148 1.00 92.77 C +HETATM 5791 C6 PLM B1323 50.186 29.474 13.327 1.00 92.10 C +HETATM 5792 C7 PLM B1323 50.436 29.053 14.775 1.00 91.04 C +HETATM 5793 C8 PLM B1323 49.456 27.970 15.262 1.00 89.87 C +HETATM 5794 C9 PLM B1323 48.350 28.555 16.144 1.00 89.14 C +HETATM 5795 CA PLM B1323 47.141 27.636 16.279 1.00 88.64 C +HETATM 5796 CB PLM B1323 45.950 28.132 15.455 1.00 88.47 C +HETATM 5797 CC PLM B1323 44.787 28.644 16.326 1.00 88.55 C +HETATM 5798 CD PLM B1323 43.530 27.752 16.250 1.00 88.35 C +HETATM 5799 CE PLM B1323 42.532 28.272 15.223 1.00 87.44 C +HETATM 5800 CF PLM B1323 41.456 27.247 14.856 1.00 86.88 C +HETATM 5801 CG PLM B1323 40.553 27.755 13.717 1.00 86.54 C +HETATM 5802 C1 HTO B1401 64.478 16.043 13.628 1.00 53.49 C +HETATM 5803 O1 HTO B1401 65.858 16.283 14.086 1.00 53.49 O +HETATM 5804 C2 HTO B1401 64.393 16.317 12.130 1.00 54.05 C +HETATM 5805 O2 HTO B1401 65.335 15.402 11.530 1.00 53.08 O +HETATM 5806 C3 HTO B1401 62.919 16.074 11.475 1.00 53.63 C +HETATM 5807 O3 HTO B1401 63.003 16.371 10.091 1.00 56.52 O +HETATM 5808 C4 HTO B1401 61.768 16.975 11.994 1.00 53.71 C +HETATM 5809 C5 HTO B1401 60.345 16.705 11.322 1.00 52.29 C +HETATM 5810 C6 HTO B1401 60.164 17.181 9.856 1.00 51.73 C +HETATM 5811 C7 HTO B1401 59.086 18.238 9.714 1.00 50.21 C +HETATM 5812 C1 PLM B1407 60.865 10.582 0.427 1.00 56.06 C +HETATM 5813 C2 PLM B1407 59.467 10.709 1.063 1.00 57.90 C +HETATM 5814 C3 PLM B1407 58.636 11.396 -0.051 1.00 59.60 C +HETATM 5815 C4 PLM B1407 57.152 11.631 0.299 1.00 59.04 C +HETATM 5816 C5 PLM B1407 55.979 11.636 -0.679 1.00 61.32 C +HETATM 5817 C6 PLM B1407 54.806 12.560 -0.316 1.00 63.57 C +HETATM 5818 C7 PLM B1407 53.667 12.486 -1.368 1.00 65.70 C +HETATM 5819 C8 PLM B1407 52.303 12.226 -0.714 1.00 67.13 C +HETATM 5820 C9 PLM B1407 50.914 12.085 -1.507 1.00 67.86 C +HETATM 5821 CA PLM B1407 49.853 11.238 -2.314 1.00 69.26 C +HETATM 5822 CB PLM B1407 49.148 10.391 -1.569 1.00 70.54 C +HETATM 5823 CC PLM B1407 47.994 9.924 -1.717 1.00 70.78 C +HETATM 5824 CD PLM B1407 46.785 9.755 -2.321 1.00 70.73 C +HETATM 5825 CE PLM B1407 45.666 8.884 -1.881 1.00 69.61 C +HETATM 5826 CF PLM B1407 44.691 9.274 -2.997 1.00 68.10 C +HETATM 5827 CG PLM B1407 43.293 9.115 -3.030 1.00 66.01 C +HETATM 5828 C1 HTG B1506 55.265 -8.580 -18.671 1.00 73.80 C +HETATM 5829 S1 HTG B1506 56.451 -8.074 -17.310 1.00 74.19 S +HETATM 5830 C2 HTG B1506 54.819 -10.095 -18.440 1.00 74.17 C +HETATM 5831 O2 HTG B1506 55.978 -10.948 -18.407 1.00 73.91 O +HETATM 5832 C3 HTG B1506 53.805 -10.547 -19.601 1.00 74.23 C +HETATM 5833 O3 HTG B1506 53.407 -11.920 -19.412 1.00 73.91 O +HETATM 5834 C4 HTG B1506 52.523 -9.572 -19.598 1.00 74.17 C +HETATM 5835 O4 HTG B1506 51.584 -9.958 -20.635 1.00 75.74 O +HETATM 5836 C5 HTG B1506 52.985 -8.041 -19.812 1.00 73.47 C +HETATM 5837 O5 HTG B1506 53.974 -7.692 -18.711 1.00 74.04 O +HETATM 5838 C6 HTG B1506 51.735 -7.088 -19.789 1.00 72.32 C +HETATM 5839 O6 HTG B1506 51.047 -7.051 -18.537 1.00 71.24 O +HETATM 5840 C1' HTG B1506 57.100 -6.338 -17.406 1.00 71.71 C +HETATM 5841 C2' HTG B1506 58.218 -6.158 -16.381 1.00 70.09 C +HETATM 5842 C3' HTG B1506 58.787 -4.741 -16.420 1.00 69.05 C +HETATM 5843 C4' HTG B1506 58.491 -3.964 -15.145 1.00 68.45 C +HETATM 5844 C5' HTG B1506 59.725 -3.290 -14.597 1.00 68.46 C +HETATM 5845 C6' HTG B1506 59.454 -2.680 -13.235 1.00 68.54 C +HETATM 5846 C7' HTG B1506 60.738 -2.317 -12.539 1.00 68.61 C +HETATM 5847 C1 HTG B1508 32.522 7.786 -9.349 1.00 73.76 C +HETATM 5848 S1 HTG B1508 32.534 6.999 -7.690 1.00 72.06 S +HETATM 5849 C2 HTG B1508 31.413 7.036 -10.199 1.00 75.22 C +HETATM 5850 O2 HTG B1508 31.718 5.626 -10.290 1.00 76.16 O +HETATM 5851 C3 HTG B1508 31.314 7.690 -11.651 1.00 75.91 C +HETATM 5852 O3 HTG B1508 30.300 7.019 -12.418 1.00 76.94 O +HETATM 5853 C4 HTG B1508 30.976 9.238 -11.517 1.00 75.72 C +HETATM 5854 O4 HTG B1508 30.884 9.853 -12.821 1.00 75.71 O +HETATM 5855 C5 HTG B1508 32.104 9.966 -10.642 1.00 75.62 C +HETATM 5856 O5 HTG B1508 32.147 9.265 -9.292 1.00 74.85 O +HETATM 5857 C6 HTG B1508 31.736 11.486 -10.493 1.00 76.51 C +HETATM 5858 O6 HTG B1508 30.391 11.704 -10.047 1.00 77.19 O +HETATM 5859 C1' HTG B1508 33.640 7.605 -6.356 1.00 70.79 C +HETATM 5860 C2' HTG B1508 35.081 7.469 -6.769 1.00 69.82 C +HETATM 5861 C3' HTG B1508 35.973 7.953 -5.637 1.00 67.87 C +HETATM 5862 C4' HTG B1508 36.842 9.123 -6.031 1.00 66.24 C +HETATM 5863 C5' HTG B1508 36.331 10.394 -5.427 1.00 64.99 C +HETATM 5864 C6' HTG B1508 36.816 10.545 -4.021 1.00 64.42 C +HETATM 5865 C7' HTG B1508 37.927 11.527 -3.969 1.00 64.30 C +HETATM 5866 C1 HTG B1509 64.583 20.708 15.180 1.00 82.21 C +HETATM 5867 S1 HTG B1509 63.512 21.350 13.802 1.00 81.73 S +HETATM 5868 C2 HTG B1509 65.980 21.522 15.189 1.00 81.65 C +HETATM 5869 O2 HTG B1509 66.665 21.365 13.932 1.00 80.98 O +HETATM 5870 C3 HTG B1509 66.908 21.016 16.386 1.00 81.75 C +HETATM 5871 O3 HTG B1509 68.153 21.739 16.388 1.00 81.06 O +HETATM 5872 C4 HTG B1509 66.124 21.217 17.771 1.00 82.58 C +HETATM 5873 O4 HTG B1509 66.944 20.779 18.881 1.00 83.87 O +HETATM 5874 C5 HTG B1509 64.705 20.404 17.754 1.00 83.10 C +HETATM 5875 O5 HTG B1509 63.897 20.900 16.554 1.00 83.45 O +HETATM 5876 C6 HTG B1509 63.909 20.630 19.130 1.00 82.66 C +HETATM 5877 O6 HTG B1509 62.720 21.461 19.044 1.00 80.24 O +HETATM 5878 C1' HTG B1509 61.870 20.626 13.532 1.00 80.52 C +HETATM 5879 C2' HTG B1509 61.281 21.428 12.381 1.00 80.36 C +HETATM 5880 C3' HTG B1509 59.895 20.949 12.011 1.00 79.76 C +HETATM 5881 C4' HTG B1509 59.311 21.758 10.876 1.00 79.51 C +HETATM 5882 C5' HTG B1509 58.022 22.388 11.305 1.00 79.83 C +HETATM 5883 C6' HTG B1509 57.964 23.847 10.923 1.00 79.86 C +HETATM 5884 C7' HTG B1509 57.068 24.621 11.859 1.00 79.93 C +HETATM 5885 O HOH A 964 41.824 4.738 11.658 1.00 48.13 O +HETATM 5886 O HOH A2000 49.110 7.658 28.237 1.00 32.50 O +HETATM 5887 O HOH A2002 49.342 -2.814 33.463 1.00 46.30 O +HETATM 5888 O HOH A2004 40.768 15.488 29.883 1.00 43.44 O +HETATM 5889 O HOH A2007 28.580 29.852 -16.188 1.00 60.35 O +HETATM 5890 O HOH A2014 44.912 9.872 19.727 0.94 34.81 O +HETATM 5891 O HOH A2015 35.893 12.241 8.920 1.00 56.63 O +HETATM 5892 O HOH A2017 37.208 16.105 5.882 1.00 26.67 O +HETATM 5893 O HOH A2020 33.214 11.359 5.382 1.00 45.27 O +HETATM 5894 O HOH A2021 44.328 16.987 16.914 1.00 42.23 O +HETATM 5895 O HOH A2024 29.916 23.848 0.458 1.00 37.57 O +HETATM 5896 O HOH A2027 46.968 22.773 19.155 1.00 42.15 O +HETATM 5897 O HOH A2028 52.690 19.627 23.119 1.00 40.87 O +HETATM 5898 O HOH A2030 35.579 15.961 9.298 1.00 44.48 O +HETATM 5899 O HOH A2032 48.193 3.343 23.561 1.00 28.45 O +HETATM 5900 O HOH A2033 44.911 12.701 31.169 1.00 45.01 O +HETATM 5901 O HOH A2035 50.973 8.201 19.008 1.00 59.41 O +HETATM 5902 O HOH A2039 39.965 -11.559 23.863 1.00 32.58 O +HETATM 5903 O HOH A2041 52.533 -2.907 19.218 1.00 29.91 O +HETATM 5904 O HOH A2042 58.414 10.737 35.179 1.00 35.52 O +HETATM 5905 O HOH A2045 44.990 15.499 29.228 1.00 36.97 O +HETATM 5906 O HOH A2047 50.078 -0.478 35.016 1.00 40.53 O +HETATM 5907 O HOH A2048 49.387 1.275 21.525 1.00 42.25 O +HETATM 5908 O HOH A2049 52.069 13.027 34.780 1.00 46.18 O +HETATM 5909 O HOH A2051 55.564 -2.577 25.226 1.00 39.20 O +HETATM 5910 O HOH A2052 44.768 -0.431 29.501 1.00 45.41 O +HETATM 5911 O HOH A2053 27.336 19.021 -9.912 1.00 40.69 O +HETATM 5912 O HOH A2055 61.141 -1.783 31.346 0.98 46.50 O +HETATM 5913 O HOH A2057 38.335 2.452 30.394 1.00 71.53 O +HETATM 5914 O HOH A2058 42.132 18.219 32.056 1.00 45.59 O +HETATM 5915 O HOH A2059 45.613 15.970 34.061 0.99 53.71 O +HETATM 5916 O HOH A2061 30.369 29.006 -11.025 1.00 47.20 O +HETATM 5917 O HOH A2062 42.839 12.670 35.850 1.00 40.51 O +HETATM 5918 O HOH A2063 37.788 14.979 32.972 1.00 46.07 O +HETATM 5919 O HOH A2064 48.953 4.821 25.720 1.00 44.54 O +HETATM 5920 O HOH A2068 34.641 4.694 44.098 1.00 45.55 O +HETATM 5921 O HOH A2070 24.499 16.592 -12.939 1.00 49.71 O +HETATM 5922 O HOH B2005 63.175 6.145 -37.125 1.00 44.32 O +HETATM 5923 O HOH B2008 65.482 13.261 -6.143 1.00 36.72 O +HETATM 5924 O HOH B2009 62.245 17.200 -9.666 0.96 50.69 O +HETATM 5925 O HOH B2012 37.413 -0.051 -36.633 1.00 54.50 O +HETATM 5926 O HOH B2016 60.389 17.198 -5.853 1.00 42.62 O +HETATM 5927 O HOH B2018 52.246 8.805 -18.688 1.00 57.94 O +HETATM 5928 O HOH B2019 57.417 4.579 -11.690 1.00 55.97 O +HETATM 5929 O HOH B2022 52.584 16.809 -16.042 1.00 42.42 O +HETATM 5930 O HOH B2023 47.327 6.545 -26.718 0.99 37.96 O +HETATM 5931 O HOH B2025 67.255 26.384 -1.416 1.00 46.01 O +HETATM 5932 O HOH B2026 48.603 21.953 -18.210 1.00 34.38 O +HETATM 5933 O HOH B2029 42.986 17.310 -21.550 0.95 60.96 O +HETATM 5934 O HOH B2031 49.956 2.198 -22.322 1.00 50.32 O +HETATM 5935 O HOH B2034 50.483 12.089 -30.280 1.00 50.19 O +HETATM 5936 O HOH B2036 61.977 14.597 -9.561 1.00 63.23 O +HETATM 5937 O HOH B2037 47.834 6.801 -17.635 1.00 42.91 O +HETATM 5938 O HOH B2038 60.768 -10.665 -24.153 1.00 21.68 O +HETATM 5939 O HOH B2040 38.374 -1.735 -35.214 1.00 66.68 O +HETATM 5940 O HOH B2043 47.993 -5.229 -18.107 1.00 39.56 O +HETATM 5941 O HOH B2044 59.290 7.983 -29.702 1.00 44.95 O +HETATM 5942 O HOH B2046 48.879 4.064 -24.826 1.00 38.28 O +HETATM 5943 O HOH B2050 49.158 0.599 -20.238 1.00 42.84 O +HETATM 5944 O HOH B2054 46.199 -3.971 -17.556 1.00 28.07 O +HETATM 5945 O HOH B2056 43.940 -7.703 -26.199 1.00 47.50 O +HETATM 5946 O HOH B2060 49.944 14.940 -28.371 1.00 46.45 O +HETATM 5947 O HOH B2065 46.801 -1.635 -34.122 1.00 44.42 O +HETATM 5948 O HOH B2066 53.036 -0.881 -28.890 1.00 45.40 O +HETATM 5949 O HOH B2067 47.971 -3.519 -26.335 1.00 48.17 O +HETATM 5950 O HOH B2069 58.943 3.863 -30.455 1.00 37.47 O +CONECT 1 2 3 4 +CONECT 2 1 +CONECT 3 1 +CONECT 4 1 +CONECT 19 5540 +CONECT 120 5501 +CONECT 886 1476 +CONECT 973 5651 +CONECT 1004 5651 +CONECT 1299 5651 +CONECT 1476 886 +CONECT 1544 5652 +CONECT 1561 5652 +CONECT 1593 5649 +CONECT 1594 5649 +CONECT 1678 5651 +CONECT 1774 5647 +CONECT 2100 5646 +CONECT 2230 5649 +CONECT 2360 5667 +CONECT 2366 5646 +CONECT 2480 5650 +CONECT 2484 5648 +CONECT 2525 5648 +CONECT 2568 5673 +CONECT 2574 5690 +CONECT 2615 5650 +CONECT 2751 2752 2753 2754 +CONECT 2752 2751 +CONECT 2753 2751 +CONECT 2754 2751 +CONECT 2769 5618 +CONECT 2870 5568 +CONECT 3280 5744 +CONECT 3636 4226 +CONECT 3754 5747 +CONECT 4226 3636 +CONECT 4294 5745 +CONECT 4311 5745 +CONECT 4343 5746 +CONECT 4344 5746 +CONECT 4428 5747 +CONECT 4850 5742 +CONECT 4980 5746 +CONECT 5110 5762 +CONECT 5275 5744 +CONECT 5318 5768 +CONECT 5324 5785 +CONECT 5411 5744 +CONECT 5418 5744 +CONECT 5501 120 5502 5512 +CONECT 5502 5501 5503 5509 +CONECT 5503 5502 5504 5510 +CONECT 5504 5503 5505 5511 +CONECT 5505 5504 5506 5512 +CONECT 5506 5505 5513 +CONECT 5507 5508 5509 5514 +CONECT 5508 5507 +CONECT 5509 5502 5507 +CONECT 5510 5503 +CONECT 5511 5504 5515 +CONECT 5512 5501 5505 +CONECT 5513 5506 +CONECT 5514 5507 +CONECT 5515 5511 5516 5526 +CONECT 5516 5515 5517 5523 +CONECT 5517 5516 5518 5524 +CONECT 5518 5517 5519 5525 +CONECT 5519 5518 5520 5526 +CONECT 5520 5519 5527 +CONECT 5521 5522 5523 5528 +CONECT 5522 5521 +CONECT 5523 5516 5521 +CONECT 5524 5517 +CONECT 5525 5518 5529 +CONECT 5526 5515 5519 +CONECT 5527 5520 +CONECT 5528 5521 +CONECT 5529 5525 5530 5538 +CONECT 5530 5529 5531 5535 +CONECT 5531 5530 5532 5536 +CONECT 5532 5531 5533 5537 +CONECT 5533 5532 5534 5538 +CONECT 5534 5533 5539 +CONECT 5535 5530 +CONECT 5536 5531 +CONECT 5537 5532 +CONECT 5538 5529 5533 +CONECT 5539 5534 +CONECT 5540 19 5541 5551 +CONECT 5541 5540 5542 5548 +CONECT 5542 5541 5543 5549 +CONECT 5543 5542 5544 5550 +CONECT 5544 5543 5545 5551 +CONECT 5545 5544 5552 +CONECT 5546 5547 5548 5553 +CONECT 5547 5546 +CONECT 5548 5541 5546 +CONECT 5549 5542 +CONECT 5550 5543 5554 +CONECT 5551 5540 5544 +CONECT 5552 5545 +CONECT 5553 5546 +CONECT 5554 5550 5555 5565 +CONECT 5555 5554 5556 5562 +CONECT 5556 5555 5557 5563 +CONECT 5557 5556 5558 5564 +CONECT 5558 5557 5559 5565 +CONECT 5559 5558 5566 +CONECT 5560 5561 5562 5567 +CONECT 5561 5560 +CONECT 5562 5555 5560 +CONECT 5563 5556 +CONECT 5564 5557 +CONECT 5565 5554 5558 +CONECT 5566 5559 +CONECT 5567 5560 +CONECT 5568 2870 5569 5579 +CONECT 5569 5568 5570 5576 +CONECT 5570 5569 5571 5577 +CONECT 5571 5570 5572 5578 +CONECT 5572 5571 5573 5579 +CONECT 5573 5572 5580 +CONECT 5574 5575 5576 5581 +CONECT 5575 5574 +CONECT 5576 5569 5574 +CONECT 5577 5570 +CONECT 5578 5571 5582 +CONECT 5579 5568 5572 +CONECT 5580 5573 +CONECT 5581 5574 +CONECT 5582 5578 5583 5593 +CONECT 5583 5582 5584 5590 +CONECT 5584 5583 5585 5591 +CONECT 5585 5584 5586 5592 +CONECT 5586 5585 5587 5593 +CONECT 5587 5586 5594 +CONECT 5588 5589 5590 5595 +CONECT 5589 5588 +CONECT 5590 5583 5588 +CONECT 5591 5584 +CONECT 5592 5585 5596 +CONECT 5593 5582 5586 +CONECT 5594 5587 +CONECT 5595 5588 +CONECT 5596 5592 5597 5605 +CONECT 5597 5596 5598 5602 +CONECT 5598 5597 5599 5603 +CONECT 5599 5598 5600 5604 +CONECT 5600 5599 5601 5605 +CONECT 5601 5600 5606 +CONECT 5602 5597 +CONECT 5603 5598 5607 +CONECT 5604 5599 +CONECT 5605 5596 5600 +CONECT 5606 5601 +CONECT 5607 5603 5608 5616 +CONECT 5608 5607 5609 5613 +CONECT 5609 5608 5610 5614 +CONECT 5610 5609 5611 5615 +CONECT 5611 5610 5612 5616 +CONECT 5612 5611 5617 +CONECT 5613 5608 +CONECT 5614 5609 +CONECT 5615 5610 +CONECT 5616 5607 5611 +CONECT 5617 5612 +CONECT 5618 2769 5619 5629 +CONECT 5619 5618 5620 5626 +CONECT 5620 5619 5621 5627 +CONECT 5621 5620 5622 5628 +CONECT 5622 5621 5623 5629 +CONECT 5623 5622 5630 +CONECT 5624 5625 5626 5631 +CONECT 5625 5624 +CONECT 5626 5619 5624 +CONECT 5627 5620 +CONECT 5628 5621 5632 +CONECT 5629 5618 5622 +CONECT 5630 5623 +CONECT 5631 5624 +CONECT 5632 5628 5633 5643 +CONECT 5633 5632 5634 5640 +CONECT 5634 5633 5635 5641 +CONECT 5635 5634 5636 5642 +CONECT 5636 5635 5637 5643 +CONECT 5637 5636 5644 +CONECT 5638 5639 5640 5645 +CONECT 5639 5638 +CONECT 5640 5633 5638 +CONECT 5641 5634 +CONECT 5642 5635 +CONECT 5643 5632 5636 +CONECT 5644 5637 +CONECT 5645 5638 +CONECT 5646 2100 2366 +CONECT 5647 1774 +CONECT 5648 2484 2525 5916 +CONECT 5649 1593 1594 2230 +CONECT 5650 2480 2615 +CONECT 5651 973 1004 1299 1678 +CONECT 5652 1544 1561 +CONECT 5653 5654 5658 5668 5669 +CONECT 5654 5653 5655 +CONECT 5655 5654 5656 +CONECT 5656 5655 5657 +CONECT 5657 5656 5658 5670 +CONECT 5658 5653 5657 5659 +CONECT 5659 5658 5660 +CONECT 5660 5659 5661 +CONECT 5661 5660 5662 5671 +CONECT 5662 5661 5663 +CONECT 5663 5662 5664 +CONECT 5664 5663 5665 +CONECT 5665 5664 5666 5672 +CONECT 5666 5665 5667 +CONECT 5667 2360 5666 +CONECT 5668 5653 +CONECT 5669 5653 +CONECT 5670 5657 +CONECT 5671 5661 +CONECT 5672 5665 +CONECT 5673 2568 5674 5675 +CONECT 5674 5673 +CONECT 5675 5673 5676 +CONECT 5676 5675 5677 +CONECT 5677 5676 5678 +CONECT 5678 5677 5679 +CONECT 5679 5678 5680 +CONECT 5680 5679 5681 +CONECT 5681 5680 5682 +CONECT 5682 5681 5683 +CONECT 5683 5682 5684 +CONECT 5684 5683 5685 +CONECT 5685 5684 5686 +CONECT 5686 5685 5687 +CONECT 5687 5686 5688 +CONECT 5688 5687 5689 +CONECT 5689 5688 +CONECT 5690 2574 5691 5692 +CONECT 5691 5690 +CONECT 5692 5690 5693 +CONECT 5693 5692 5694 +CONECT 5694 5693 5695 +CONECT 5695 5694 5696 +CONECT 5696 5695 5697 +CONECT 5697 5696 5698 +CONECT 5698 5697 5699 +CONECT 5699 5698 5700 +CONECT 5700 5699 5701 +CONECT 5701 5700 5702 +CONECT 5702 5701 5703 +CONECT 5703 5702 5704 +CONECT 5704 5703 5705 +CONECT 5705 5704 5706 +CONECT 5706 5705 +CONECT 5707 5708 +CONECT 5708 5707 5709 +CONECT 5709 5708 5710 +CONECT 5710 5709 5711 +CONECT 5711 5710 5712 +CONECT 5712 5711 5713 +CONECT 5713 5712 5714 +CONECT 5714 5713 5715 +CONECT 5715 5714 5716 +CONECT 5716 5715 5717 +CONECT 5717 5716 5718 +CONECT 5718 5717 5719 +CONECT 5719 5718 5720 +CONECT 5720 5719 5721 +CONECT 5721 5720 5722 +CONECT 5722 5721 +CONECT 5723 5724 5725 5732 +CONECT 5724 5723 5735 +CONECT 5725 5723 5726 5727 +CONECT 5726 5725 +CONECT 5727 5725 5728 5729 +CONECT 5728 5727 +CONECT 5729 5727 5730 5731 +CONECT 5730 5729 +CONECT 5731 5729 5732 5733 +CONECT 5732 5723 5731 +CONECT 5733 5731 5734 +CONECT 5734 5733 +CONECT 5735 5724 5736 +CONECT 5736 5735 5737 +CONECT 5737 5736 5738 +CONECT 5738 5737 5739 +CONECT 5739 5738 5740 +CONECT 5740 5739 5741 +CONECT 5741 5740 +CONECT 5742 4850 +CONECT 5744 3280 5275 5411 5418 +CONECT 5745 4294 4311 +CONECT 5746 4343 4344 4980 +CONECT 5747 3754 4428 +CONECT 5748 5749 5753 5763 5764 +CONECT 5749 5748 5750 +CONECT 5750 5749 5751 +CONECT 5751 5750 5752 +CONECT 5752 5751 5753 5765 +CONECT 5753 5748 5752 5754 +CONECT 5754 5753 5755 +CONECT 5755 5754 5756 +CONECT 5756 5755 5757 5766 +CONECT 5757 5756 5758 +CONECT 5758 5757 5759 +CONECT 5759 5758 5760 +CONECT 5760 5759 5761 5767 +CONECT 5761 5760 5762 +CONECT 5762 5110 5761 +CONECT 5763 5748 +CONECT 5764 5748 +CONECT 5765 5752 +CONECT 5766 5756 +CONECT 5767 5760 +CONECT 5768 5318 5769 5770 +CONECT 5769 5768 +CONECT 5770 5768 5771 +CONECT 5771 5770 5772 +CONECT 5772 5771 5773 +CONECT 5773 5772 5774 +CONECT 5774 5773 5775 +CONECT 5775 5774 5776 +CONECT 5776 5775 5777 +CONECT 5777 5776 5778 +CONECT 5778 5777 5779 +CONECT 5779 5778 5780 +CONECT 5780 5779 5781 +CONECT 5781 5780 5782 +CONECT 5782 5781 5783 +CONECT 5783 5782 5784 +CONECT 5784 5783 +CONECT 5785 5324 5786 5787 +CONECT 5786 5785 +CONECT 5787 5785 5788 +CONECT 5788 5787 5789 +CONECT 5789 5788 5790 +CONECT 5790 5789 5791 +CONECT 5791 5790 5792 +CONECT 5792 5791 5793 +CONECT 5793 5792 5794 +CONECT 5794 5793 5795 +CONECT 5795 5794 5796 +CONECT 5796 5795 5797 +CONECT 5797 5796 5798 +CONECT 5798 5797 5799 +CONECT 5799 5798 5800 +CONECT 5800 5799 5801 +CONECT 5801 5800 +CONECT 5802 5803 5804 +CONECT 5803 5802 +CONECT 5804 5802 5805 5806 +CONECT 5805 5804 +CONECT 5806 5804 5807 5808 +CONECT 5807 5806 +CONECT 5808 5806 5809 +CONECT 5809 5808 5810 +CONECT 5810 5809 5811 +CONECT 5811 5810 +CONECT 5812 5813 +CONECT 5813 5812 5814 +CONECT 5814 5813 5815 +CONECT 5815 5814 5816 +CONECT 5816 5815 5817 +CONECT 5817 5816 5818 +CONECT 5818 5817 5819 +CONECT 5819 5818 5820 +CONECT 5820 5819 5821 +CONECT 5821 5820 5822 +CONECT 5822 5821 5823 +CONECT 5823 5822 5824 +CONECT 5824 5823 5825 +CONECT 5825 5824 5826 +CONECT 5826 5825 5827 +CONECT 5827 5826 +CONECT 5828 5829 5830 5837 +CONECT 5829 5828 5840 +CONECT 5830 5828 5831 5832 +CONECT 5831 5830 +CONECT 5832 5830 5833 5834 +CONECT 5833 5832 +CONECT 5834 5832 5835 5836 +CONECT 5835 5834 +CONECT 5836 5834 5837 5838 +CONECT 5837 5828 5836 +CONECT 5838 5836 5839 +CONECT 5839 5838 +CONECT 5840 5829 5841 +CONECT 5841 5840 5842 +CONECT 5842 5841 5843 +CONECT 5843 5842 5844 +CONECT 5844 5843 5845 +CONECT 5845 5844 5846 +CONECT 5846 5845 +CONECT 5847 5848 5849 5856 +CONECT 5848 5847 5859 +CONECT 5849 5847 5850 5851 +CONECT 5850 5849 +CONECT 5851 5849 5852 5853 +CONECT 5852 5851 +CONECT 5853 5851 5854 5855 +CONECT 5854 5853 +CONECT 5855 5853 5856 5857 +CONECT 5856 5847 5855 +CONECT 5857 5855 5858 +CONECT 5858 5857 +CONECT 5859 5848 5860 +CONECT 5860 5859 5861 +CONECT 5861 5860 5862 +CONECT 5862 5861 5863 +CONECT 5863 5862 5864 +CONECT 5864 5863 5865 +CONECT 5865 5864 +CONECT 5866 5867 5868 5875 +CONECT 5867 5866 5878 +CONECT 5868 5866 5869 5870 +CONECT 5869 5868 +CONECT 5870 5868 5871 5872 +CONECT 5871 5870 +CONECT 5872 5870 5873 5874 +CONECT 5873 5872 +CONECT 5874 5872 5875 5876 +CONECT 5875 5866 5874 +CONECT 5876 5874 5877 +CONECT 5877 5876 +CONECT 5878 5867 5879 +CONECT 5879 5878 5880 +CONECT 5880 5879 5881 +CONECT 5881 5880 5882 +CONECT 5882 5881 5883 +CONECT 5883 5882 5884 +CONECT 5884 5883 +CONECT 5916 5648 +MASTER 426 0 39 29 8 0 0 6 5948 2 434 54 +END diff --git a/examples/Bombus_impatiens_347_structure_heatmap.pdb b/examples/Bombus_impatiens_347_structure_heatmap.pdb new file mode 100644 index 00000000..db7cb083 --- /dev/null +++ b/examples/Bombus_impatiens_347_structure_heatmap.pdb @@ -0,0 +1,7062 @@ +HEADER SIGNALING PROTEIN 15-JUL-04 1U19 +TITLE CRYSTAL STRUCTURE OF BOVINE RHODOPSIN AT 2.2 ANGSTROMS RESOLUTION +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: RHODOPSIN; +COMPND 3 CHAIN: A, B +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; +SOURCE 3 ORGANISM_COMMON: CATTLE; +SOURCE 4 ORGANISM_TAXID: 9913 +KEYWDS G PROTEIN-COUPLED RECEPTOR, MEMBRANE PROTEIN, RETINAL PROTEIN, +KEYWDS 2 PHOTORECEPTOR, SIGNALING PROTEIN +EXPDTA X-RAY DIFFRACTION +AUTHOR T.OKADA,M.SUGIHARA,A.N.BONDAR,M.ELSTNER,P.ENTEL,V.BUSS +REVDAT 7 09-OCT-24 1U19 1 REMARK +REVDAT 6 25-OCT-23 1U19 1 HETSYN +REVDAT 5 29-JUL-20 1U19 1 COMPND REMARK HETNAM LINK +REVDAT 5 2 1 SITE ATOM +REVDAT 4 25-MAR-15 1U19 1 REMARK +REVDAT 3 13-JUL-11 1U19 1 VERSN +REVDAT 2 24-FEB-09 1U19 1 VERSN +REVDAT 1 12-OCT-04 1U19 0 +JRNL AUTH T.OKADA,M.SUGIHARA,A.N.BONDAR,M.ELSTNER,P.ENTEL,V.BUSS +JRNL TITL THE RETINAL CONFORMATION AND ITS ENVIRONMENT IN RHODOPSIN IN +JRNL TITL 2 LIGHT OF A NEW 2.2 A CRYSTAL STRUCTURE +JRNL REF J.MOL.BIOL. V. 342 571 2004 +JRNL REFN ISSN 0022-2836 +JRNL PMID 15327956 +JRNL DOI 10.1016/J.JMB.2004.07.044 +REMARK 2 +REMARK 2 RESOLUTION. 2.20 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : CNS +REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- +REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, +REMARK 3 : READ,RICE,SIMONSON,WARREN +REMARK 3 +REMARK 3 REFINEMENT TARGET : ENGH & HUBER +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 50.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 85.4 +REMARK 3 NUMBER OF REFLECTIONS : 59552 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING SET) : 0.200 +REMARK 3 FREE R VALUE : 0.222 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : 2839 +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : NULL +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL +REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL +REMARK 3 BIN R VALUE (WORKING SET) : NULL +REMARK 3 BIN FREE R VALUE : NULL +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 5498 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 384 +REMARK 3 SOLVENT ATOMS : 66 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : 42.10 +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.32 +REMARK 3 ESD FROM SIGMAA (A) : 0.53 +REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.34 +REMARK 3 ESD FROM C-V SIGMAA (A) : 0.49 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.012 +REMARK 3 BOND ANGLES (DEGREES) : 1.400 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : 20.60 +REMARK 3 IMPROPER ANGLES (DEGREES) : 0.970 +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELING. +REMARK 3 METHOD USED : NULL +REMARK 3 KSOL : NULL +REMARK 3 BSOL : NULL +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : NULL +REMARK 3 TOPOLOGY FILE 1 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1U19 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 21-JUL-04. +REMARK 100 THE DEPOSITION ID IS D_1000023119. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 10-MAR-03 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 6.0 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : SPRING-8 +REMARK 200 BEAMLINE : BL41XU +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.0000 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 +REMARK 200 DATA SCALING SOFTWARE : SCALEPACK +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 61728 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200 +REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 88.4 +REMARK 200 DATA REDUNDANCY : 3.200 +REMARK 200 R MERGE (I) : 0.09300 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 11.9000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.28 +REMARK 200 COMPLETENESS FOR SHELL (%) : 46.2 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : 0.66700 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 1.200 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: AMORE +REMARK 200 STARTING MODEL: PDB ENTRY 1L9H +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 71.00 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.20 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: AMMONIUM SULFATE, PH 6.0, VAPOR +REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 283K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,-Y,Z+1/2 +REMARK 290 3555 -Y,X,Z+1/4 +REMARK 290 4555 Y,-X,Z+3/4 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 75.10000 +REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 37.55000 +REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 112.65000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, C, D +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, E, F +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 ND1 HIS A 65 O VAL A 337 2.18 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC +REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 +REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A +REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 +REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE +REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. +REMARK 500 +REMARK 500 DISTANCE CUTOFF: +REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS +REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE +REMARK 500 NE2 GLN A 344 O6 HTG B 1509 4564 2.04 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 PRO B 347 C - N - CA ANGL. DEV. = 9.1 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 TYR A 10 94.72 -164.52 +REMARK 500 GLU A 25 -25.20 -145.41 +REMARK 500 VAL A 139 -73.95 -68.59 +REMARK 500 LYS A 141 91.59 16.27 +REMARK 500 ASN A 145 36.50 -177.92 +REMARK 500 SER A 176 -163.64 66.65 +REMARK 500 GLN A 184 30.66 71.64 +REMARK 500 HIS A 195 81.05 4.65 +REMARK 500 HIS A 211 53.00 -114.92 +REMARK 500 PHE A 212 -83.13 179.74 +REMARK 500 LEU A 226 41.59 -78.43 +REMARK 500 THR A 229 -136.01 -81.41 +REMARK 500 ALA A 233 94.22 -62.40 +REMARK 500 ALA A 235 -151.04 -93.74 +REMARK 500 GLN A 238 125.99 69.04 +REMARK 500 SER A 240 17.04 167.58 +REMARK 500 ALA A 241 132.21 148.69 +REMARK 500 HIS A 278 47.56 -143.13 +REMARK 500 VAL A 300 -33.74 -133.39 +REMARK 500 CYS A 322 31.86 -67.16 +REMARK 500 CYS A 323 -68.14 45.04 +REMARK 500 LYS A 325 -118.21 -137.50 +REMARK 500 ASN A 326 72.32 54.51 +REMARK 500 PRO A 327 27.99 -69.90 +REMARK 500 LEU A 328 -101.09 11.79 +REMARK 500 ASP A 331 -151.01 61.85 +REMARK 500 ALA A 333 -29.31 68.77 +REMARK 500 SER A 334 -161.99 -107.01 +REMARK 500 THR A 335 159.81 -38.78 +REMARK 500 SER A 338 -144.27 -176.70 +REMARK 500 LYS A 339 -71.43 -108.32 +REMARK 500 GLU A 341 -121.86 -70.18 +REMARK 500 THR A 342 45.44 -97.23 +REMARK 500 GLN A 344 107.02 -51.12 +REMARK 500 ALA A 346 59.91 -146.16 +REMARK 500 PRO A 347 -107.93 -83.03 +REMARK 500 TYR B 10 97.71 -161.29 +REMARK 500 SER B 22 130.39 -37.97 +REMARK 500 LEU B 68 81.99 -67.11 +REMARK 500 ARG B 69 26.17 -147.78 +REMARK 500 LYS B 141 89.33 -1.40 +REMARK 500 SER B 144 -62.88 -109.26 +REMARK 500 SER B 176 -170.27 69.39 +REMARK 500 HIS B 195 74.83 15.58 +REMARK 500 GLU B 197 -14.18 -48.88 +REMARK 500 THR B 198 13.44 -145.39 +REMARK 500 HIS B 211 33.43 -96.96 +REMARK 500 PHE B 212 -72.86 -161.98 +REMARK 500 LEU B 226 36.71 -84.32 +REMARK 500 THR B 229 -144.12 -70.00 +REMARK 500 +REMARK 500 THIS ENTRY HAS 75 RAMACHANDRAN OUTLIERS. +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 610 +REMARK 610 MISSING HETEROATOM +REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 610 I=INSERTION CODE): +REMARK 610 M RES C SSEQI +REMARK 610 PLM A 1410 +REMARK 610 PLM B 1407 +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN A 962 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU A 122 OE1 +REMARK 620 2 TRP A 126 NE1 70.8 +REMARK 620 3 MET A 163 O 154.9 93.8 +REMARK 620 4 HIS A 211 ND1 101.7 83.0 95.7 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN A2011 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS A 195 NE2 +REMARK 620 2 GLU A 197 OE1 91.2 +REMARK 620 N 1 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN A 957 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU A 201 OE1 +REMARK 620 2 GLU A 201 OE2 60.8 +REMARK 620 3 GLN A 279 NE2 165.9 109.0 +REMARK 620 N 1 2 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 HG A 901 HG +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 CYS A 264 SG +REMARK 620 2 THR A 297 OG1 77.9 +REMARK 620 N 1 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN A 959 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 LYS A 311 NZ +REMARK 620 2 ASP A 330 N 108.4 +REMARK 620 N 1 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 HG A 905 HG +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLN A 312 O +REMARK 620 2 CYS A 316 SG 80.0 +REMARK 620 3 HOH A2061 O 135.4 78.5 +REMARK 620 N 1 2 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 HG B 906 HG +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS B 65 ND1 +REMARK 620 2 CYS B 316 SG 140.2 +REMARK 620 3 THR B 336 O 136.5 73.1 +REMARK 620 4 VAL B 337 O 74.3 141.9 68.9 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN B 963 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 TRP B 126 NE1 +REMARK 620 2 HIS B 211 ND1 86.5 +REMARK 620 N 1 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN B 956 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS B 195 NE2 +REMARK 620 2 GLU B 197 OE1 85.9 +REMARK 620 N 1 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN B 958 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU B 201 OE2 +REMARK 620 2 GLU B 201 OE1 57.0 +REMARK 620 3 GLN B 279 NE2 84.0 139.4 +REMARK 620 N 1 2 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 1F88 RELATED DB: PDB +REMARK 900 RELATED ID: 1HZX RELATED DB: PDB +REMARK 900 RELATED ID: 1L9H RELATED DB: PDB +DBREF 1U19 A 1 348 UNP P02699 OPSD_BOVIN 1 348 +DBREF 1U19 B 1 348 UNP P02699 OPSD_BOVIN 1 348 +SEQRES 1 A 349 ACE MET ASN GLY THR GLU GLY PRO ASN PHE TYR VAL PRO +SEQRES 2 A 349 PHE SER ASN LYS THR GLY VAL VAL ARG SER PRO PHE GLU +SEQRES 3 A 349 ALA PRO GLN TYR TYR LEU ALA GLU PRO TRP GLN PHE SER +SEQRES 4 A 349 MET LEU ALA ALA TYR MET PHE LEU LEU ILE MET LEU GLY +SEQRES 5 A 349 PHE PRO ILE ASN PHE LEU THR LEU TYR VAL THR VAL GLN +SEQRES 6 A 349 HIS LYS LYS LEU ARG THR PRO LEU ASN TYR ILE LEU LEU +SEQRES 7 A 349 ASN LEU ALA VAL ALA ASP LEU PHE MET VAL PHE GLY GLY +SEQRES 8 A 349 PHE THR THR THR LEU TYR THR SER LEU HIS GLY TYR PHE +SEQRES 9 A 349 VAL PHE GLY PRO THR GLY CYS ASN LEU GLU GLY PHE PHE +SEQRES 10 A 349 ALA THR LEU GLY GLY GLU ILE ALA LEU TRP SER LEU VAL +SEQRES 11 A 349 VAL LEU ALA ILE GLU ARG TYR VAL VAL VAL CYS LYS PRO +SEQRES 12 A 349 MET SER ASN PHE ARG PHE GLY GLU ASN HIS ALA ILE MET +SEQRES 13 A 349 GLY VAL ALA PHE THR TRP VAL MET ALA LEU ALA CYS ALA +SEQRES 14 A 349 ALA PRO PRO LEU VAL GLY TRP SER ARG TYR ILE PRO GLU +SEQRES 15 A 349 GLY MET GLN CYS SER CYS GLY ILE ASP TYR TYR THR PRO +SEQRES 16 A 349 HIS GLU GLU THR ASN ASN GLU SER PHE VAL ILE TYR MET +SEQRES 17 A 349 PHE VAL VAL HIS PHE ILE ILE PRO LEU ILE VAL ILE PHE +SEQRES 18 A 349 PHE CYS TYR GLY GLN LEU VAL PHE THR VAL LYS GLU ALA +SEQRES 19 A 349 ALA ALA GLN GLN GLN GLU SER ALA THR THR GLN LYS ALA +SEQRES 20 A 349 GLU LYS GLU VAL THR ARG MET VAL ILE ILE MET VAL ILE +SEQRES 21 A 349 ALA PHE LEU ILE CYS TRP LEU PRO TYR ALA GLY VAL ALA +SEQRES 22 A 349 PHE TYR ILE PHE THR HIS GLN GLY SER ASP PHE GLY PRO +SEQRES 23 A 349 ILE PHE MET THR ILE PRO ALA PHE PHE ALA LYS THR SER +SEQRES 24 A 349 ALA VAL TYR ASN PRO VAL ILE TYR ILE MET MET ASN LYS +SEQRES 25 A 349 GLN PHE ARG ASN CYS MET VAL THR THR LEU CYS CYS GLY +SEQRES 26 A 349 LYS ASN PRO LEU GLY ASP ASP GLU ALA SER THR THR VAL +SEQRES 27 A 349 SER LYS THR GLU THR SER GLN VAL ALA PRO ALA +SEQRES 1 B 349 ACE MET ASN GLY THR GLU GLY PRO ASN PHE TYR VAL PRO +SEQRES 2 B 349 PHE SER ASN LYS THR GLY VAL VAL ARG SER PRO PHE GLU +SEQRES 3 B 349 ALA PRO GLN TYR TYR LEU ALA GLU PRO TRP GLN PHE SER +SEQRES 4 B 349 MET LEU ALA ALA TYR MET PHE LEU LEU ILE MET LEU GLY +SEQRES 5 B 349 PHE PRO ILE ASN PHE LEU THR LEU TYR VAL THR VAL GLN +SEQRES 6 B 349 HIS LYS LYS LEU ARG THR PRO LEU ASN TYR ILE LEU LEU +SEQRES 7 B 349 ASN LEU ALA VAL ALA ASP LEU PHE MET VAL PHE GLY GLY +SEQRES 8 B 349 PHE THR THR THR LEU TYR THR SER LEU HIS GLY TYR PHE +SEQRES 9 B 349 VAL PHE GLY PRO THR GLY CYS ASN LEU GLU GLY PHE PHE +SEQRES 10 B 349 ALA THR LEU GLY GLY GLU ILE ALA LEU TRP SER LEU VAL +SEQRES 11 B 349 VAL LEU ALA ILE GLU ARG TYR VAL VAL VAL CYS LYS PRO +SEQRES 12 B 349 MET SER ASN PHE ARG PHE GLY GLU ASN HIS ALA ILE MET +SEQRES 13 B 349 GLY VAL ALA PHE THR TRP VAL MET ALA LEU ALA CYS ALA +SEQRES 14 B 349 ALA PRO PRO LEU VAL GLY TRP SER ARG TYR ILE PRO GLU +SEQRES 15 B 349 GLY MET GLN CYS SER CYS GLY ILE ASP TYR TYR THR PRO +SEQRES 16 B 349 HIS GLU GLU THR ASN ASN GLU SER PHE VAL ILE TYR MET +SEQRES 17 B 349 PHE VAL VAL HIS PHE ILE ILE PRO LEU ILE VAL ILE PHE +SEQRES 18 B 349 PHE CYS TYR GLY GLN LEU VAL PHE THR VAL LYS GLU ALA +SEQRES 19 B 349 ALA ALA GLN GLN GLN GLU SER ALA THR THR GLN LYS ALA +SEQRES 20 B 349 GLU LYS GLU VAL THR ARG MET VAL ILE ILE MET VAL ILE +SEQRES 21 B 349 ALA PHE LEU ILE CYS TRP LEU PRO TYR ALA GLY VAL ALA +SEQRES 22 B 349 PHE TYR ILE PHE THR HIS GLN GLY SER ASP PHE GLY PRO +SEQRES 23 B 349 ILE PHE MET THR ILE PRO ALA PHE PHE ALA LYS THR SER +SEQRES 24 B 349 ALA VAL TYR ASN PRO VAL ILE TYR ILE MET MET ASN LYS +SEQRES 25 B 349 GLN PHE ARG ASN CYS MET VAL THR THR LEU CYS CYS GLY +SEQRES 26 B 349 LYS ASN PRO LEU GLY ASP ASP GLU ALA SER THR THR VAL +SEQRES 27 B 349 SER LYS THR GLU THR SER GLN VAL ALA PRO ALA +MODRES 1U19 ASN A 2 ASN GLYCOSYLATION SITE +MODRES 1U19 ASN A 15 ASN GLYCOSYLATION SITE +MODRES 1U19 ASN B 2 ASN GLYCOSYLATION SITE +MODRES 1U19 ASN B 15 ASN GLYCOSYLATION SITE +HET ACE A 0 3 +HET ACE B 0 3 +HET NAG C 1 14 +HET NAG C 2 14 +HET MAN C 3 11 +HET NAG D 1 14 +HET NAG D 2 14 +HET NAG E 1 14 +HET NAG E 2 14 +HET BMA E 3 11 +HET BMA E 4 11 +HET NAG F 1 14 +HET NAG F 2 14 +HET HG A 901 1 +HET HG A 903 1 +HET HG A 905 1 +HET ZN A 957 1 +HET ZN A 959 1 +HET ZN A 962 1 +HET ZN A2011 1 +HET RET A1296 20 +HET PLM A1322 17 +HET PLM A1323 17 +HET PLM A1410 16 +HET HTG A1507 19 +HET HG B 902 1 +HET HG B 904 1 +HET HG B 906 1 +HET ZN B 956 1 +HET ZN B 958 1 +HET ZN B 963 1 +HET RET B1296 20 +HET PLM B1322 17 +HET PLM B1323 17 +HET HTO B1401 10 +HET PLM B1407 16 +HET HTG B1506 19 +HET HTG B1508 19 +HET HTG B1509 19 +HETNAM ACE ACETYL GROUP +HETNAM NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE +HETNAM MAN ALPHA-D-MANNOPYRANOSE +HETNAM BMA BETA-D-MANNOPYRANOSE +HETNAM HG MERCURY (II) ION +HETNAM ZN ZINC ION +HETNAM RET RETINAL +HETNAM PLM PALMITIC ACID +HETNAM HTG HEPTYL 1-THIO-BETA-D-GLUCOPYRANOSIDE +HETNAM HTO HEPTANE-1,2,3-TRIOL +HETSYN NAG N-ACETYL-BETA-D-GLUCOSAMINE; 2-ACETAMIDO-2-DEOXY-BETA- +HETSYN 2 NAG D-GLUCOSE; 2-ACETAMIDO-2-DEOXY-D-GLUCOSE; 2-ACETAMIDO- +HETSYN 3 NAG 2-DEOXY-GLUCOSE; N-ACETYL-D-GLUCOSAMINE +HETSYN MAN ALPHA-D-MANNOSE; D-MANNOSE; MANNOSE +HETSYN BMA BETA-D-MANNOSE; D-MANNOSE; MANNOSE +HETSYN HTG HEPTYL 1-THIOHEXOPYRANOSIDE; HEPTYL 1-THIO-BETA-D- +HETSYN 2 HTG GLUCOSIDE; HEPTYL 1-THIO-D-GLUCOSIDE; HEPTYL 1-THIO- +HETSYN 3 HTG GLUCOSIDE +FORMUL 1 ACE 2(C2 H4 O) +FORMUL 3 NAG 8(C8 H15 N O6) +FORMUL 3 MAN C6 H12 O6 +FORMUL 5 BMA 2(C6 H12 O6) +FORMUL 7 HG 6(HG 2+) +FORMUL 10 ZN 7(ZN 2+) +FORMUL 14 RET 2(C20 H28 O) +FORMUL 15 PLM 6(C16 H32 O2) +FORMUL 18 HTG 4(C13 H26 O5 S) +FORMUL 28 HTO C7 H16 O3 +FORMUL 33 HOH *66(H2 O) +HELIX 1 1 GLU A 33 HIS A 65 1 33 +HELIX 2 2 THR A 70 GLY A 90 1 21 +HELIX 3 3 GLY A 90 GLY A 101 1 12 +HELIX 4 4 PHE A 105 CYS A 140 1 36 +HELIX 5 5 GLY A 149 ALA A 169 1 21 +HELIX 6 6 PRO A 170 VAL A 173 5 4 +HELIX 7 7 HIS A 195 THR A 198 5 4 +HELIX 8 8 ASN A 199 HIS A 211 1 13 +HELIX 9 9 PHE A 212 GLY A 224 1 13 +HELIX 10 10 ALA A 241 HIS A 278 1 38 +HELIX 11 11 GLY A 284 ALA A 295 1 12 +HELIX 12 12 LYS A 296 ALA A 299 5 4 +HELIX 13 13 VAL A 300 MET A 309 1 10 +HELIX 14 14 ASN A 310 CYS A 322 1 13 +HELIX 15 15 GLU B 33 HIS B 65 1 33 +HELIX 16 16 THR B 70 GLY B 90 1 21 +HELIX 17 17 GLY B 90 GLY B 101 1 12 +HELIX 18 18 PHE B 105 CYS B 140 1 36 +HELIX 19 19 GLY B 149 ALA B 169 1 21 +HELIX 20 20 PRO B 170 VAL B 173 5 4 +HELIX 21 21 HIS B 195 THR B 198 5 4 +HELIX 22 22 ASN B 199 VAL B 210 1 12 +HELIX 23 23 PHE B 212 LEU B 226 1 15 +HELIX 24 24 ALA B 241 ALA B 246 1 6 +HELIX 25 25 GLU B 247 THR B 277 1 31 +HELIX 26 26 GLY B 284 LYS B 296 1 13 +HELIX 27 27 THR B 297 ALA B 299 5 3 +HELIX 28 28 VAL B 300 ASN B 310 1 11 +HELIX 29 29 ASN B 310 CYS B 322 1 13 +SHEET 1 A 2 THR A 4 GLU A 5 0 +SHEET 2 A 2 TYR A 10 VAL A 11 -1 O VAL A 11 N THR A 4 +SHEET 1 B 2 ILE A 179 GLU A 181 0 +SHEET 2 B 2 SER A 186 GLY A 188 -1 O GLY A 188 N ILE A 179 +SHEET 1 C 2 THR B 4 GLU B 5 0 +SHEET 2 C 2 TYR B 10 VAL B 11 -1 O VAL B 11 N THR B 4 +SHEET 1 D 2 TYR B 178 GLU B 181 0 +SHEET 2 D 2 SER B 186 ILE B 189 -1 O GLY B 188 N ILE B 179 +SSBOND 1 CYS A 110 CYS A 187 1555 1555 2.02 +SSBOND 2 CYS B 110 CYS B 187 1555 1555 2.03 +LINK C ACE A 0 N MET A 1 1555 1555 1.35 +LINK ND2 ASN A 2 C1 NAG D 1 1555 1555 1.44 +LINK ND2 ASN A 15 C1 NAG C 1 1555 1555 1.45 +LINK NZ LYS A 296 C15 RET A1296 1555 1555 1.33 +LINK SG CYS A 322 C1 PLM A1322 1555 1555 1.86 +LINK SG CYS A 323 C1 PLM A1323 1555 1555 1.89 +LINK C ACE B 0 N MET B 1 1555 1555 1.35 +LINK ND2 ASN B 2 C1 NAG F 1 1555 1555 1.45 +LINK ND2 ASN B 15 C1 NAG E 1 1555 1555 1.44 +LINK NZ LYS B 296 C15 RET B1296 1555 1555 1.34 +LINK SG CYS B 322 C1 PLM B1322 1555 1555 1.89 +LINK SG CYS B 323 C1 PLM B1323 1555 1555 1.90 +LINK O4 NAG C 1 C1 NAG C 2 1555 1555 1.40 +LINK O4 NAG C 2 C1 MAN C 3 1555 1555 1.40 +LINK O4 NAG D 1 C1 NAG D 2 1555 1555 1.38 +LINK O4 NAG E 1 C1 NAG E 2 1555 1555 1.38 +LINK O4 NAG E 2 C1 BMA E 3 1555 1555 1.38 +LINK O3 BMA E 3 C1 BMA E 4 1555 1555 1.40 +LINK O4 NAG F 1 C1 NAG F 2 1555 1555 1.39 +LINK OE1 GLU A 122 ZN ZN A 962 1555 1555 2.61 +LINK NE1 TRP A 126 ZN ZN A 962 1555 1555 2.67 +LINK O MET A 163 ZN ZN A 962 1555 1555 2.67 +LINK NE2 HIS A 195 ZN ZN A2011 1555 1555 2.20 +LINK OE1 GLU A 197 ZN ZN A2011 1555 1555 2.41 +LINK OE1 GLU A 201 ZN ZN A 957 1555 1555 2.31 +LINK OE2 GLU A 201 ZN ZN A 957 1555 1555 2.00 +LINK ND1 HIS A 211 ZN ZN A 962 1555 1555 2.43 +LINK SG CYS A 222 HG HG A 903 1555 1555 2.35 +LINK SG CYS A 264 HG HG A 901 1555 1555 2.82 +LINK NE2 GLN A 279 ZN ZN A 957 1555 1555 1.72 +LINK OG1 THR A 297 HG HG A 901 1555 1555 3.08 +LINK NZ LYS A 311 ZN ZN A 959 1555 1555 1.83 +LINK O GLN A 312 HG HG A 905 1555 1555 3.17 +LINK SG CYS A 316 HG HG A 905 1555 1555 2.47 +LINK N ASP A 330 ZN ZN A 959 1555 1555 2.43 +LINK HG HG A 905 O HOH A2061 1555 1555 2.60 +LINK ND1 HIS B 65 HG HG B 906 1555 1555 2.72 +LINK NE1 TRP B 126 ZN ZN B 963 1555 1555 2.47 +LINK NE2 HIS B 195 ZN ZN B 956 1555 1555 2.06 +LINK OE1 GLU B 197 ZN ZN B 956 1555 1555 2.09 +LINK OE2 GLU B 201 ZN ZN B 958 1555 1555 2.15 +LINK OE1 GLU B 201 ZN ZN B 958 1555 1555 2.43 +LINK ND1 HIS B 211 ZN ZN B 963 1555 1555 2.44 +LINK SG CYS B 264 HG HG B 902 1555 1555 2.68 +LINK NE2 GLN B 279 ZN ZN B 958 1555 1555 1.85 +LINK SG CYS B 316 HG HG B 906 1555 1555 2.37 +LINK O THR B 336 HG HG B 906 1555 1555 2.05 +LINK O VAL B 337 HG HG B 906 1555 1555 1.99 +CRYST1 96.680 96.680 150.200 90.00 90.00 90.00 P 41 8 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.010343 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.010343 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.006658 0.00000 +HETATM 1 C ACE A 0 53.553 -7.050 35.606 1.00 0.00 C +HETATM 2 O ACE A 0 52.916 -7.860 34.934 1.00 0.00 O +HETATM 3 CH3 ACE A 0 54.727 -7.523 36.434 1.00 0.00 C +ATOM 4 N MET A 1 53.284 -5.731 35.670 1.00 0.01 N +ATOM 5 CA MET A 1 52.214 -5.077 34.913 1.00 0.01 C +ATOM 6 C MET A 1 52.674 -4.891 33.485 1.00 0.01 C +ATOM 7 O MET A 1 53.849 -4.563 33.283 1.00 0.01 O +ATOM 8 CB MET A 1 51.887 -3.719 35.536 1.00 0.01 C +ATOM 9 CG MET A 1 51.426 -3.792 36.982 1.00 0.01 C +ATOM 10 SD MET A 1 49.945 -4.797 37.183 1.00 0.01 S +ATOM 11 CE MET A 1 48.647 -3.745 36.534 1.00 0.01 C +ATOM 12 N ASN A 2 51.781 -5.083 32.508 1.00 0.34 N +ATOM 13 CA ASN A 2 52.150 -4.950 31.087 1.00 0.34 C +ATOM 14 C ASN A 2 52.395 -3.519 30.683 1.00 0.34 C +ATOM 15 O ASN A 2 53.065 -3.284 29.678 1.00 0.34 O +ATOM 16 CB ASN A 2 51.073 -5.523 30.174 1.00 0.34 C +ATOM 17 CG ASN A 2 50.985 -7.005 30.265 1.00 0.34 C +ATOM 18 OD1 ASN A 2 51.963 -7.709 30.034 1.00 0.34 O +ATOM 19 ND2 ASN A 2 49.803 -7.490 30.614 1.00 0.34 N +ATOM 20 N GLY A 3 51.852 -2.565 31.430 1.00 0.84 N +ATOM 21 CA GLY A 3 52.066 -1.173 31.079 1.00 0.84 C +ATOM 22 C GLY A 3 52.411 -0.330 32.284 1.00 0.84 C +ATOM 23 O GLY A 3 52.493 -0.830 33.401 1.00 0.84 O +ATOM 24 N THR A 4 52.612 0.959 32.058 1.00 0.22 N +ATOM 25 CA THR A 4 52.934 1.847 33.150 1.00 0.22 C +ATOM 26 C THR A 4 51.822 2.840 33.331 1.00 0.22 C +ATOM 27 O THR A 4 51.792 3.855 32.649 1.00 0.22 O +ATOM 28 CB THR A 4 54.234 2.605 32.893 1.00 0.22 C +ATOM 29 OG1 THR A 4 55.307 1.673 32.708 1.00 0.22 O +ATOM 30 CG2 THR A 4 54.550 3.501 34.066 1.00 0.22 C +ATOM 31 N GLU A 5 50.892 2.538 34.230 1.00 0.19 N +ATOM 32 CA GLU A 5 49.806 3.456 34.501 1.00 0.19 C +ATOM 33 C GLU A 5 50.366 4.630 35.284 1.00 0.19 C +ATOM 34 O GLU A 5 51.260 4.459 36.117 1.00 0.19 O +ATOM 35 CB GLU A 5 48.692 2.777 35.311 1.00 0.19 C +ATOM 36 CG GLU A 5 47.593 3.735 35.718 1.00 0.19 C +ATOM 37 CD GLU A 5 46.549 3.105 36.608 1.00 0.19 C +ATOM 38 OE1 GLU A 5 46.928 2.306 37.491 1.00 0.19 O +ATOM 39 OE2 GLU A 5 45.349 3.422 36.446 1.00 0.19 O +ATOM 40 N GLY A 6 49.862 5.825 34.990 1.00 2.22 N +ATOM 41 CA GLY A 6 50.272 7.030 35.685 1.00 2.22 C +ATOM 42 C GLY A 6 48.999 7.650 36.225 1.00 2.22 C +ATOM 43 O GLY A 6 47.890 7.161 35.969 1.00 2.22 O +ATOM 44 N PRO A 7 49.108 8.730 36.986 1.00 0.82 N +ATOM 45 CA PRO A 7 47.863 9.320 37.505 1.00 0.82 C +ATOM 46 C PRO A 7 47.119 10.088 36.431 1.00 0.82 C +ATOM 47 O PRO A 7 45.931 10.411 36.548 1.00 0.82 O +ATOM 48 CB PRO A 7 48.370 10.237 38.618 1.00 0.82 C +ATOM 49 CG PRO A 7 49.761 10.634 38.120 1.00 0.82 C +ATOM 50 CD PRO A 7 50.312 9.369 37.548 1.00 0.82 C +ATOM 51 N ASN A 8 47.841 10.286 35.344 1.00 0.19 N +ATOM 52 CA ASN A 8 47.426 11.107 34.234 1.00 0.19 C +ATOM 53 C ASN A 8 47.567 10.424 32.892 1.00 0.19 C +ATOM 54 O ASN A 8 47.100 10.977 31.880 1.00 0.19 O +ATOM 55 CB ASN A 8 48.379 12.268 34.238 1.00 0.19 C +ATOM 56 CG ASN A 8 47.731 13.509 33.908 1.00 0.19 C +ATOM 57 OD1 ASN A 8 48.398 14.520 33.753 1.00 0.19 O +ATOM 58 ND2 ASN A 8 46.399 13.482 33.800 1.00 0.19 N +ATOM 59 N PHE A 9 48.231 9.266 32.874 1.00 2.62 N +ATOM 60 CA PHE A 9 48.540 8.536 31.639 1.00 2.62 C +ATOM 61 C PHE A 9 48.580 7.025 31.835 1.00 2.62 C +ATOM 62 O PHE A 9 48.221 6.505 32.882 1.00 2.62 O +ATOM 63 CB PHE A 9 49.918 8.966 31.158 1.00 2.62 C +ATOM 64 CG PHE A 9 51.008 8.757 32.190 1.00 2.62 C +ATOM 65 CD1 PHE A 9 51.316 9.755 33.112 1.00 2.62 C +ATOM 66 CD2 PHE A 9 51.703 7.551 32.256 1.00 2.62 C +ATOM 67 CE1 PHE A 9 52.306 9.555 34.090 1.00 2.62 C +ATOM 68 CE2 PHE A 9 52.692 7.343 33.228 1.00 2.62 C +ATOM 69 CZ PHE A 9 52.993 8.348 34.146 1.00 2.62 C +ATOM 70 N TYR A 10 49.050 6.338 30.797 1.00 0.43 N +ATOM 71 CA TYR A 10 49.199 4.888 30.789 1.00 0.43 C +ATOM 72 C TYR A 10 50.099 4.537 29.625 1.00 0.43 C +ATOM 73 O TYR A 10 49.626 4.418 28.500 1.00 0.43 O +ATOM 74 CB TYR A 10 47.841 4.184 30.619 1.00 0.43 C +ATOM 75 CG TYR A 10 47.953 2.680 30.679 1.00 0.43 C +ATOM 76 CD1 TYR A 10 48.026 2.018 31.909 1.00 0.43 C +ATOM 77 CD2 TYR A 10 48.070 1.917 29.510 1.00 0.43 C +ATOM 78 CE1 TYR A 10 48.216 0.634 31.976 1.00 0.43 C +ATOM 79 CE2 TYR A 10 48.259 0.537 29.568 1.00 0.43 C +ATOM 80 CZ TYR A 10 48.330 -0.093 30.806 1.00 0.43 C +ATOM 81 OH TYR A 10 48.496 -1.451 30.889 1.00 0.43 O +ATOM 82 N VAL A 11 51.395 4.393 29.871 1.00 0.04 N +ATOM 83 CA VAL A 11 52.287 4.053 28.779 1.00 0.04 C +ATOM 84 C VAL A 11 52.197 2.565 28.521 1.00 0.04 C +ATOM 85 O VAL A 11 52.307 1.777 29.448 1.00 0.04 O +ATOM 86 CB VAL A 11 53.758 4.442 29.079 1.00 0.04 C +ATOM 87 CG1 VAL A 11 54.618 4.187 27.848 1.00 0.04 C +ATOM 88 CG2 VAL A 11 53.847 5.904 29.466 1.00 0.04 C +ATOM 89 N PRO A 12 51.963 2.171 27.257 1.00 0.00 N +ATOM 90 CA PRO A 12 51.848 0.771 26.838 1.00 0.00 C +ATOM 91 C PRO A 12 53.239 0.155 26.770 1.00 0.00 C +ATOM 92 O PRO A 12 53.647 -0.401 25.736 1.00 0.00 O +ATOM 93 CB PRO A 12 51.162 0.889 25.474 1.00 0.00 C +ATOM 94 CG PRO A 12 51.713 2.158 24.938 1.00 0.00 C +ATOM 95 CD PRO A 12 51.725 3.083 26.118 1.00 0.00 C +ATOM 96 N PHE A 13 53.950 0.261 27.891 1.00 0.43 N +ATOM 97 CA PHE A 13 55.333 -0.212 28.016 1.00 0.43 C +ATOM 98 C PHE A 13 55.626 -0.516 29.474 1.00 0.43 C +ATOM 99 O PHE A 13 55.219 0.232 30.362 1.00 0.43 O +ATOM 100 CB PHE A 13 56.288 0.887 27.537 1.00 0.43 C +ATOM 101 CG PHE A 13 57.681 0.418 27.230 1.00 0.43 C +ATOM 102 CD1 PHE A 13 57.982 -0.149 25.984 1.00 0.43 C +ATOM 103 CD2 PHE A 13 58.708 0.603 28.151 1.00 0.43 C +ATOM 104 CE1 PHE A 13 59.290 -0.516 25.652 1.00 0.43 C +ATOM 105 CE2 PHE A 13 60.016 0.241 27.835 1.00 0.43 C +ATOM 106 CZ PHE A 13 60.311 -0.319 26.581 1.00 0.43 C +ATOM 107 N SER A 14 56.354 -1.599 29.707 1.00 0.01 N +ATOM 108 CA SER A 14 56.692 -2.019 31.054 1.00 0.01 C +ATOM 109 C SER A 14 57.785 -1.128 31.617 1.00 0.01 C +ATOM 110 O SER A 14 58.592 -0.602 30.850 1.00 0.01 O +ATOM 111 CB SER A 14 57.167 -3.471 31.024 1.00 0.01 C +ATOM 112 OG SER A 14 57.246 -4.016 32.331 1.00 0.01 O +ATOM 113 N ASN A 15 57.810 -0.956 32.939 1.00 0.00 N +ATOM 114 CA ASN A 15 58.832 -0.135 33.587 1.00 0.00 C +ATOM 115 C ASN A 15 59.731 -1.029 34.442 1.00 0.00 C +ATOM 116 O ASN A 15 60.247 -0.577 35.471 1.00 0.00 O +ATOM 117 CB ASN A 15 58.179 0.945 34.454 1.00 0.00 C +ATOM 118 CG ASN A 15 59.129 2.060 34.782 1.00 0.00 C +ATOM 119 OD1 ASN A 15 59.832 2.525 33.907 1.00 0.00 O +ATOM 120 ND2 ASN A 15 59.162 2.507 36.028 1.00 0.00 N +ATOM 121 N LYS A 16 59.905 -2.287 34.011 1.00 0.29 N +ATOM 122 CA LYS A 16 60.736 -3.271 34.718 1.00 0.29 C +ATOM 123 C LYS A 16 62.155 -2.805 34.704 1.00 0.29 C +ATOM 124 O LYS A 16 62.926 -3.142 35.605 1.00 0.29 O +ATOM 125 CB LYS A 16 60.673 -4.654 34.057 1.00 0.29 C +ATOM 126 CG LYS A 16 61.525 -5.686 34.800 1.00 0.29 C +ATOM 127 CD LYS A 16 61.731 -7.015 34.055 1.00 0.29 C +ATOM 128 CE LYS A 16 62.625 -7.964 34.882 1.00 0.29 C +ATOM 129 NZ LYS A 16 62.719 -9.361 34.344 1.00 0.29 N +ATOM 130 N THR A 17 62.505 -2.039 33.681 1.00 0.33 N +ATOM 131 CA THR A 17 63.848 -1.499 33.561 1.00 0.33 C +ATOM 132 C THR A 17 63.832 -0.043 33.975 1.00 0.33 C +ATOM 133 O THR A 17 64.803 0.688 33.740 1.00 0.33 O +ATOM 134 CB THR A 17 64.328 -1.586 32.141 1.00 0.33 C +ATOM 135 OG1 THR A 17 63.554 -0.691 31.322 1.00 0.33 O +ATOM 136 CG2 THR A 17 64.176 -3.017 31.650 1.00 0.33 C +ATOM 137 N GLY A 18 62.723 0.374 34.580 1.00 0.01 N +ATOM 138 CA GLY A 18 62.572 1.744 35.044 1.00 0.01 C +ATOM 139 C GLY A 18 62.947 2.804 34.031 1.00 0.01 C +ATOM 140 O GLY A 18 63.367 3.885 34.408 1.00 0.01 O +ATOM 141 N VAL A 19 62.776 2.495 32.750 1.00 0.07 N +ATOM 142 CA VAL A 19 63.112 3.416 31.681 1.00 0.07 C +ATOM 143 C VAL A 19 61.884 4.252 31.278 1.00 0.07 C +ATOM 144 O VAL A 19 62.037 5.215 30.556 1.00 0.07 O +ATOM 145 CB VAL A 19 63.685 2.624 30.456 1.00 0.07 C +ATOM 146 CG1 VAL A 19 62.599 1.837 29.786 1.00 0.07 C +ATOM 147 CG2 VAL A 19 64.329 3.553 29.470 1.00 0.07 C +ATOM 148 N VAL A 20 60.694 3.915 31.768 1.00 0.00 N +ATOM 149 CA VAL A 20 59.478 4.646 31.398 1.00 0.00 C +ATOM 150 C VAL A 20 59.423 6.007 32.066 1.00 0.00 C +ATOM 151 O VAL A 20 59.819 6.127 33.209 1.00 0.00 O +ATOM 152 CB VAL A 20 58.205 3.833 31.756 1.00 0.00 C +ATOM 153 CG1 VAL A 20 56.961 4.658 31.467 1.00 0.00 C +ATOM 154 CG2 VAL A 20 58.164 2.530 30.955 1.00 0.00 C +ATOM 155 N ARG A 21 58.911 7.015 31.352 1.00 1.98 N +ATOM 156 CA ARG A 21 58.828 8.402 31.848 1.00 1.98 C +ATOM 157 C ARG A 21 57.547 9.106 31.407 1.00 1.98 C +ATOM 158 O ARG A 21 57.187 8.988 30.241 1.00 1.98 O +ATOM 159 CB ARG A 21 60.010 9.191 31.307 1.00 1.98 C +ATOM 160 CG ARG A 21 61.353 8.607 31.683 1.00 1.98 C +ATOM 161 CD ARG A 21 62.197 9.698 32.291 1.00 1.98 C +ATOM 162 NE ARG A 21 61.432 10.420 33.309 1.00 1.98 N +ATOM 163 CZ ARG A 21 61.717 11.653 33.734 1.00 1.98 C +ATOM 164 NH1 ARG A 21 62.763 12.312 33.223 1.00 1.98 N +ATOM 165 NH2 ARG A 21 60.949 12.233 34.666 1.00 1.98 N +ATOM 166 N SER A 22 56.903 9.862 32.305 1.00 1.41 N +ATOM 167 CA SER A 22 55.651 10.597 32.008 1.00 1.41 C +ATOM 168 C SER A 22 55.704 11.282 30.658 1.00 1.41 C +ATOM 169 O SER A 22 56.594 12.087 30.430 1.00 1.41 O +ATOM 170 CB SER A 22 55.389 11.662 33.072 1.00 1.41 C +ATOM 171 OG SER A 22 54.229 12.418 32.757 1.00 1.41 O +ATOM 172 N PRO A 23 54.732 11.009 29.760 1.00 0.01 N +ATOM 173 CA PRO A 23 54.726 11.630 28.430 1.00 0.01 C +ATOM 174 C PRO A 23 54.341 13.082 28.483 1.00 0.01 C +ATOM 175 O PRO A 23 54.016 13.667 27.469 1.00 0.01 O +ATOM 176 CB PRO A 23 53.735 10.777 27.663 1.00 0.01 C +ATOM 177 CG PRO A 23 52.723 10.464 28.702 1.00 0.01 C +ATOM 178 CD PRO A 23 53.532 10.174 29.948 1.00 0.01 C +ATOM 179 N PHE A 24 54.360 13.647 29.686 1.00 0.25 N +ATOM 180 CA PHE A 24 54.078 15.063 29.913 1.00 0.25 C +ATOM 181 C PHE A 24 55.315 15.645 30.541 1.00 0.25 C +ATOM 182 O PHE A 24 55.250 16.738 31.071 1.00 0.25 O +ATOM 183 CB PHE A 24 52.938 15.260 30.909 1.00 0.25 C +ATOM 184 CG PHE A 24 51.590 14.858 30.397 1.00 0.25 C +ATOM 185 CD1 PHE A 24 51.072 15.428 29.239 1.00 0.25 C +ATOM 186 CD2 PHE A 24 50.818 13.943 31.102 1.00 0.25 C +ATOM 187 CE1 PHE A 24 49.808 15.099 28.794 1.00 0.25 C +ATOM 188 CE2 PHE A 24 49.552 13.605 30.665 1.00 0.25 C +ATOM 189 CZ PHE A 24 49.046 14.186 29.508 1.00 0.25 C +ATOM 190 N GLU A 25 56.429 14.918 30.486 1.00 0.01 N +ATOM 191 CA GLU A 25 57.647 15.378 31.113 1.00 0.01 C +ATOM 192 C GLU A 25 58.918 14.995 30.361 1.00 0.01 C +ATOM 193 O GLU A 25 59.924 15.683 30.529 1.00 0.01 O +ATOM 194 CB GLU A 25 57.708 14.825 32.526 1.00 0.01 C +ATOM 195 CG GLU A 25 56.917 15.584 33.548 1.00 0.01 C +ATOM 196 CD GLU A 25 56.531 14.693 34.719 1.00 0.01 C +ATOM 197 OE1 GLU A 25 57.301 13.750 35.062 1.00 0.01 O +ATOM 198 OE2 GLU A 25 55.446 14.935 35.303 1.00 0.01 O +ATOM 199 N ALA A 26 58.924 13.930 29.564 1.00 0.00 N +ATOM 200 CA ALA A 26 60.165 13.571 28.858 1.00 0.00 C +ATOM 201 C ALA A 26 59.896 12.837 27.550 1.00 0.00 C +ATOM 202 O ALA A 26 58.817 12.291 27.380 1.00 0.00 O +ATOM 203 CB ALA A 26 61.046 12.712 29.765 1.00 0.00 C +ATOM 204 N PRO A 27 60.866 12.836 26.606 1.00 0.16 N +ATOM 205 CA PRO A 27 60.715 12.152 25.320 1.00 0.16 C +ATOM 206 C PRO A 27 60.406 10.708 25.576 1.00 0.16 C +ATOM 207 O PRO A 27 60.808 10.194 26.609 1.00 0.16 O +ATOM 208 CB PRO A 27 62.080 12.331 24.674 1.00 0.16 C +ATOM 209 CG PRO A 27 62.468 13.651 25.137 1.00 0.16 C +ATOM 210 CD PRO A 27 62.109 13.619 26.604 1.00 0.16 C +ATOM 211 N GLN A 28 59.715 10.059 24.641 1.00 0.05 N +ATOM 212 CA GLN A 28 59.331 8.658 24.776 1.00 0.05 C +ATOM 213 C GLN A 28 60.120 7.781 23.799 1.00 0.05 C +ATOM 214 O GLN A 28 59.625 6.738 23.392 1.00 0.05 O +ATOM 215 CB GLN A 28 57.828 8.535 24.505 1.00 0.05 C +ATOM 216 CG GLN A 28 56.966 9.492 25.319 1.00 0.05 C +ATOM 217 CD GLN A 28 56.926 9.146 26.804 1.00 0.05 C +ATOM 218 OE1 GLN A 28 56.602 8.027 27.172 1.00 0.05 O +ATOM 219 NE2 GLN A 28 57.247 10.108 27.660 1.00 0.05 N +ATOM 220 N TYR A 29 61.344 8.173 23.459 1.00 0.10 N +ATOM 221 CA TYR A 29 62.138 7.425 22.485 1.00 0.10 C +ATOM 222 C TYR A 29 62.484 6.064 22.939 1.00 0.10 C +ATOM 223 O TYR A 29 63.082 5.310 22.189 1.00 0.10 O +ATOM 224 CB TYR A 29 63.405 8.189 22.124 1.00 0.10 C +ATOM 225 CG TYR A 29 63.067 9.537 21.556 1.00 0.10 C +ATOM 226 CD1 TYR A 29 61.981 9.687 20.703 1.00 0.10 C +ATOM 227 CD2 TYR A 29 63.785 10.669 21.913 1.00 0.10 C +ATOM 228 CE1 TYR A 29 61.609 10.919 20.227 1.00 0.10 C +ATOM 229 CE2 TYR A 29 63.422 11.917 21.435 1.00 0.10 C +ATOM 230 CZ TYR A 29 62.330 12.036 20.592 1.00 0.10 C +ATOM 231 OH TYR A 29 61.960 13.271 20.101 1.00 0.10 O +ATOM 232 N TYR A 30 62.125 5.725 24.159 1.00 0.02 N +ATOM 233 CA TYR A 30 62.433 4.402 24.617 1.00 0.02 C +ATOM 234 C TYR A 30 61.305 3.496 24.187 1.00 0.02 C +ATOM 235 O TYR A 30 61.389 2.304 24.393 1.00 0.02 O +ATOM 236 CB TYR A 30 62.600 4.419 26.136 1.00 0.02 C +ATOM 237 CG TYR A 30 61.363 4.854 26.851 1.00 0.02 C +ATOM 238 CD1 TYR A 30 60.302 3.979 27.005 1.00 0.02 C +ATOM 239 CD2 TYR A 30 61.223 6.153 27.324 1.00 0.02 C +ATOM 240 CE1 TYR A 30 59.129 4.378 27.603 1.00 0.02 C +ATOM 241 CE2 TYR A 30 60.041 6.569 27.936 1.00 0.02 C +ATOM 242 CZ TYR A 30 58.999 5.666 28.066 1.00 0.02 C +ATOM 243 OH TYR A 30 57.805 6.014 28.647 1.00 0.02 O +ATOM 244 N LEU A 31 60.262 4.072 23.589 1.00 0.00 N +ATOM 245 CA LEU A 31 59.087 3.329 23.116 1.00 0.00 C +ATOM 246 C LEU A 31 59.256 2.971 21.676 1.00 0.00 C +ATOM 247 O LEU A 31 58.658 2.005 21.199 1.00 0.00 O +ATOM 248 CB LEU A 31 57.832 4.188 23.165 1.00 0.00 C +ATOM 249 CG LEU A 31 57.191 4.654 24.449 1.00 0.00 C +ATOM 250 CD1 LEU A 31 55.960 5.418 24.083 1.00 0.00 C +ATOM 251 CD2 LEU A 31 56.826 3.480 25.315 1.00 0.00 C +ATOM 252 N ALA A 32 60.037 3.786 20.978 1.00 0.07 N +ATOM 253 CA ALA A 32 60.261 3.617 19.558 1.00 0.07 C +ATOM 254 C ALA A 32 61.471 4.419 19.137 1.00 0.07 C +ATOM 255 O ALA A 32 61.936 5.278 19.885 1.00 0.07 O +ATOM 256 CB ALA A 32 59.030 4.098 18.803 1.00 0.07 C +ATOM 257 N GLU A 33 61.964 4.152 17.932 1.00 0.10 N +ATOM 258 CA GLU A 33 63.119 4.851 17.385 1.00 0.10 C +ATOM 259 C GLU A 33 62.800 6.314 17.187 1.00 0.10 C +ATOM 260 O GLU A 33 61.661 6.665 16.872 1.00 0.10 O +ATOM 261 CB GLU A 33 63.494 4.241 16.045 1.00 0.10 C +ATOM 262 CG GLU A 33 63.499 2.755 16.104 1.00 0.10 C +ATOM 263 CD GLU A 33 64.373 2.274 17.232 1.00 0.10 C +ATOM 264 OE1 GLU A 33 65.610 2.358 17.067 1.00 0.10 O +ATOM 265 OE2 GLU A 33 63.833 1.838 18.285 1.00 0.10 O +ATOM 266 N PRO A 34 63.793 7.197 17.374 1.00 0.15 N +ATOM 267 CA PRO A 34 63.543 8.626 17.189 1.00 0.15 C +ATOM 268 C PRO A 34 63.112 9.007 15.777 1.00 0.15 C +ATOM 269 O PRO A 34 62.327 9.949 15.614 1.00 0.15 O +ATOM 270 CB PRO A 34 64.869 9.251 17.599 1.00 0.15 C +ATOM 271 CG PRO A 34 65.290 8.358 18.716 1.00 0.15 C +ATOM 272 CD PRO A 34 65.045 6.987 18.127 1.00 0.15 C +ATOM 273 N TRP A 35 63.589 8.287 14.765 1.00 0.04 N +ATOM 274 CA TRP A 35 63.213 8.603 13.389 1.00 0.04 C +ATOM 275 C TRP A 35 61.724 8.407 13.166 1.00 0.04 C +ATOM 276 O TRP A 35 61.135 9.090 12.330 1.00 0.04 O +ATOM 277 CB TRP A 35 63.991 7.742 12.390 1.00 0.04 C +ATOM 278 CG TRP A 35 63.684 6.279 12.420 1.00 0.04 C +ATOM 279 CD1 TRP A 35 64.343 5.317 13.124 1.00 0.04 C +ATOM 280 CD2 TRP A 35 62.660 5.605 11.681 1.00 0.04 C +ATOM 281 NE1 TRP A 35 63.798 4.078 12.866 1.00 0.04 N +ATOM 282 CE2 TRP A 35 62.763 4.229 11.983 1.00 0.04 C +ATOM 283 CE3 TRP A 35 61.668 6.030 10.792 1.00 0.04 C +ATOM 284 CZ2 TRP A 35 61.914 3.277 11.428 1.00 0.04 C +ATOM 285 CZ3 TRP A 35 60.822 5.082 10.240 1.00 0.04 C +ATOM 286 CH2 TRP A 35 60.951 3.721 10.560 1.00 0.04 C +ATOM 287 N GLN A 36 61.123 7.482 13.904 1.00 7.10 N +ATOM 288 CA GLN A 36 59.707 7.207 13.778 1.00 7.10 C +ATOM 289 C GLN A 36 58.915 8.385 14.301 1.00 7.10 C +ATOM 290 O GLN A 36 57.848 8.663 13.803 1.00 7.10 O +ATOM 291 CB GLN A 36 59.390 5.919 14.526 1.00 7.10 C +ATOM 292 CG GLN A 36 60.213 4.738 13.997 1.00 7.10 C +ATOM 293 CD GLN A 36 59.927 3.422 14.708 1.00 7.10 C +ATOM 294 OE1 GLN A 36 60.240 3.254 15.883 1.00 7.10 O +ATOM 295 NE2 GLN A 36 59.327 2.480 13.985 1.00 7.10 N +ATOM 296 N PHE A 37 59.426 9.088 15.296 1.00 2.31 N +ATOM 297 CA PHE A 37 58.703 10.249 15.755 1.00 2.31 C +ATOM 298 C PHE A 37 58.813 11.294 14.690 1.00 2.31 C +ATOM 299 O PHE A 37 57.878 12.051 14.491 1.00 2.31 O +ATOM 300 CB PHE A 37 59.285 10.795 17.038 1.00 2.31 C +ATOM 301 CG PHE A 37 58.918 10.006 18.239 1.00 2.31 C +ATOM 302 CD1 PHE A 37 59.589 8.841 18.553 1.00 2.31 C +ATOM 303 CD2 PHE A 37 57.881 10.413 19.053 1.00 2.31 C +ATOM 304 CE1 PHE A 37 59.228 8.093 19.664 1.00 2.31 C +ATOM 305 CE2 PHE A 37 57.515 9.676 20.159 1.00 2.31 C +ATOM 306 CZ PHE A 37 58.186 8.519 20.466 1.00 2.31 C +ATOM 307 N SER A 38 59.958 11.336 14.007 1.00 0.36 N +ATOM 308 CA SER A 38 60.202 12.297 12.924 1.00 0.36 C +ATOM 309 C SER A 38 59.207 12.064 11.819 1.00 0.36 C +ATOM 310 O SER A 38 58.798 12.997 11.127 1.00 0.36 O +ATOM 311 CB SER A 38 61.613 12.116 12.372 1.00 0.36 C +ATOM 312 OG SER A 38 62.578 12.342 13.381 1.00 0.36 O +ATOM 313 N MET A 39 58.852 10.797 11.652 1.00 0.10 N +ATOM 314 CA MET A 39 57.880 10.365 10.672 1.00 0.10 C +ATOM 315 C MET A 39 56.569 11.008 11.016 1.00 0.10 C +ATOM 316 O MET A 39 55.965 11.657 10.169 1.00 0.10 O +ATOM 317 CB MET A 39 57.726 8.857 10.749 1.00 0.10 C +ATOM 318 CG MET A 39 58.821 8.082 10.078 1.00 0.10 C +ATOM 319 SD MET A 39 58.428 7.998 8.334 1.00 0.10 S +ATOM 320 CE MET A 39 59.203 9.645 7.679 1.00 0.10 C +ATOM 321 N LEU A 40 56.126 10.812 12.256 1.00 1.15 N +ATOM 322 CA LEU A 40 54.883 11.397 12.726 1.00 1.15 C +ATOM 323 C LEU A 40 54.941 12.869 12.486 1.00 1.15 C +ATOM 324 O LEU A 40 53.994 13.427 11.947 1.00 1.15 O +ATOM 325 CB LEU A 40 54.710 11.156 14.218 1.00 1.15 C +ATOM 326 CG LEU A 40 54.629 9.703 14.663 1.00 1.15 C +ATOM 327 CD1 LEU A 40 54.509 9.621 16.174 1.00 1.15 C +ATOM 328 CD2 LEU A 40 53.443 9.071 13.996 1.00 1.15 C +ATOM 329 N ALA A 41 56.058 13.490 12.869 1.00 0.45 N +ATOM 330 CA ALA A 41 56.248 14.930 12.709 1.00 0.45 C +ATOM 331 C ALA A 41 56.185 15.316 11.245 1.00 0.45 C +ATOM 332 O ALA A 41 55.431 16.217 10.886 1.00 0.45 O +ATOM 333 CB ALA A 41 57.568 15.358 13.316 1.00 0.45 C +ATOM 334 N ALA A 42 56.970 14.655 10.401 1.00 0.81 N +ATOM 335 CA ALA A 42 56.963 14.953 8.971 1.00 0.81 C +ATOM 336 C ALA A 42 55.532 14.826 8.451 1.00 0.81 C +ATOM 337 O ALA A 42 55.035 15.692 7.747 1.00 0.81 O +ATOM 338 CB ALA A 42 57.867 13.978 8.243 1.00 0.81 C +ATOM 339 N TYR A 43 54.882 13.732 8.821 1.00 15.20 N +ATOM 340 CA TYR A 43 53.511 13.441 8.435 1.00 15.20 C +ATOM 341 C TYR A 43 52.536 14.547 8.875 1.00 15.20 C +ATOM 342 O TYR A 43 51.799 15.103 8.040 1.00 15.20 O +ATOM 343 CB TYR A 43 53.117 12.121 9.067 1.00 15.20 C +ATOM 344 CG TYR A 43 51.668 11.756 8.935 1.00 15.20 C +ATOM 345 CD1 TYR A 43 51.130 11.391 7.712 1.00 15.20 C +ATOM 346 CD2 TYR A 43 50.857 11.683 10.058 1.00 15.20 C +ATOM 347 CE1 TYR A 43 49.820 10.941 7.616 1.00 15.20 C +ATOM 348 CE2 TYR A 43 49.551 11.243 9.982 1.00 15.20 C +ATOM 349 CZ TYR A 43 49.039 10.862 8.762 1.00 15.20 C +ATOM 350 OH TYR A 43 47.766 10.328 8.707 1.00 15.20 O +ATOM 351 N MET A 44 52.507 14.863 10.169 1.00 0.64 N +ATOM 352 CA MET A 44 51.590 15.896 10.653 1.00 0.64 C +ATOM 353 C MET A 44 51.838 17.168 9.921 1.00 0.64 C +ATOM 354 O MET A 44 50.926 17.948 9.709 1.00 0.64 O +ATOM 355 CB MET A 44 51.761 16.131 12.150 1.00 0.64 C +ATOM 356 CG MET A 44 51.219 15.010 13.012 1.00 0.64 C +ATOM 357 SD MET A 44 49.615 14.319 12.414 1.00 0.64 S +ATOM 358 CE MET A 44 48.565 15.793 12.245 1.00 0.64 C +ATOM 359 N PHE A 45 53.083 17.379 9.532 1.00 0.10 N +ATOM 360 CA PHE A 45 53.430 18.575 8.820 1.00 0.10 C +ATOM 361 C PHE A 45 52.747 18.605 7.457 1.00 0.10 C +ATOM 362 O PHE A 45 52.119 19.616 7.119 1.00 0.10 O +ATOM 363 CB PHE A 45 54.938 18.646 8.638 1.00 0.10 C +ATOM 364 CG PHE A 45 55.374 19.750 7.720 1.00 0.10 C +ATOM 365 CD1 PHE A 45 55.552 21.035 8.197 1.00 0.10 C +ATOM 366 CD2 PHE A 45 55.553 19.511 6.357 1.00 0.10 C +ATOM 367 CE1 PHE A 45 55.899 22.066 7.334 1.00 0.10 C +ATOM 368 CE2 PHE A 45 55.900 20.538 5.485 1.00 0.10 C +ATOM 369 CZ PHE A 45 56.073 21.815 5.970 1.00 0.10 C +ATOM 370 N LEU A 46 52.872 17.524 6.679 1.00 0.17 N +ATOM 371 CA LEU A 46 52.277 17.452 5.333 1.00 0.17 C +ATOM 372 C LEU A 46 50.786 17.547 5.395 1.00 0.17 C +ATOM 373 O LEU A 46 50.198 18.142 4.495 1.00 0.17 O +ATOM 374 CB LEU A 46 52.652 16.157 4.628 1.00 0.17 C +ATOM 375 CG LEU A 46 54.142 15.948 4.372 1.00 0.17 C +ATOM 376 CD1 LEU A 46 54.372 14.584 3.706 1.00 0.17 C +ATOM 377 CD2 LEU A 46 54.659 17.091 3.513 1.00 0.17 C +ATOM 378 N LEU A 47 50.172 16.953 6.425 1.00 1.21 N +ATOM 379 CA LEU A 47 48.713 17.013 6.612 1.00 1.21 C +ATOM 380 C LEU A 47 48.253 18.466 6.861 1.00 1.21 C +ATOM 381 O LEU A 47 47.184 18.866 6.406 1.00 1.21 O +ATOM 382 CB LEU A 47 48.273 16.162 7.815 1.00 1.21 C +ATOM 383 CG LEU A 47 47.751 14.736 7.677 1.00 1.21 C +ATOM 384 CD1 LEU A 47 47.138 14.306 9.018 1.00 1.21 C +ATOM 385 CD2 LEU A 47 46.702 14.664 6.591 1.00 1.21 C +ATOM 386 N ILE A 48 49.035 19.242 7.603 1.00 0.89 N +ATOM 387 CA ILE A 48 48.662 20.616 7.875 1.00 0.89 C +ATOM 388 C ILE A 48 48.820 21.416 6.613 1.00 0.89 C +ATOM 389 O ILE A 48 48.043 22.320 6.372 1.00 0.89 O +ATOM 390 CB ILE A 48 49.530 21.215 8.998 1.00 0.89 C +ATOM 391 CG1 ILE A 48 49.202 20.514 10.317 1.00 0.89 C +ATOM 392 CG2 ILE A 48 49.287 22.706 9.109 1.00 0.89 C +ATOM 393 CD1 ILE A 48 50.081 20.897 11.472 1.00 0.89 C +ATOM 394 N MET A 49 49.799 21.064 5.791 1.00 2.83 N +ATOM 395 CA MET A 49 50.048 21.782 4.544 1.00 2.83 C +ATOM 396 C MET A 49 48.975 21.500 3.491 1.00 2.83 C +ATOM 397 O MET A 49 48.766 22.319 2.593 1.00 2.83 O +ATOM 398 CB MET A 49 51.426 21.407 4.012 1.00 2.83 C +ATOM 399 CG MET A 49 51.777 22.105 2.744 1.00 2.83 C +ATOM 400 SD MET A 49 53.529 22.137 2.566 1.00 2.83 S +ATOM 401 CE MET A 49 53.893 23.393 3.818 1.00 2.83 C +ATOM 402 N LEU A 50 48.315 20.351 3.595 1.00 0.37 N +ATOM 403 CA LEU A 50 47.246 19.952 2.673 1.00 0.37 C +ATOM 404 C LEU A 50 45.904 20.379 3.223 1.00 0.37 C +ATOM 405 O LEU A 50 45.088 20.933 2.507 1.00 0.37 O +ATOM 406 CB LEU A 50 47.220 18.436 2.515 1.00 0.37 C +ATOM 407 CG LEU A 50 47.988 17.804 1.370 1.00 0.37 C +ATOM 408 CD1 LEU A 50 48.027 16.299 1.554 1.00 0.37 C +ATOM 409 CD2 LEU A 50 47.311 18.196 0.064 1.00 0.37 C +ATOM 410 N GLY A 51 45.691 20.102 4.505 1.00 0.03 N +ATOM 411 CA GLY A 51 44.435 20.420 5.156 1.00 0.03 C +ATOM 412 C GLY A 51 44.049 21.871 5.256 1.00 0.03 C +ATOM 413 O GLY A 51 42.870 22.199 5.207 1.00 0.03 O +ATOM 414 N PHE A 52 45.032 22.746 5.412 1.00 1.08 N +ATOM 415 CA PHE A 52 44.713 24.152 5.517 1.00 1.08 C +ATOM 416 C PHE A 52 44.201 24.678 4.186 1.00 1.08 C +ATOM 417 O PHE A 52 43.029 25.083 4.107 1.00 1.08 O +ATOM 418 CB PHE A 52 45.916 24.974 5.976 1.00 1.08 C +ATOM 419 CG PHE A 52 45.694 26.449 5.846 1.00 1.08 C +ATOM 420 CD1 PHE A 52 44.473 27.017 6.255 1.00 1.08 C +ATOM 421 CD2 PHE A 52 46.650 27.264 5.240 1.00 1.08 C +ATOM 422 CE1 PHE A 52 44.200 28.375 6.053 1.00 1.08 C +ATOM 423 CE2 PHE A 52 46.388 28.628 5.031 1.00 1.08 C +ATOM 424 CZ PHE A 52 45.155 29.182 5.438 1.00 1.08 C +ATOM 425 N PRO A 53 45.045 24.669 3.123 1.00 0.03 N +ATOM 426 CA PRO A 53 44.569 25.176 1.829 1.00 0.03 C +ATOM 427 C PRO A 53 43.280 24.546 1.317 1.00 0.03 C +ATOM 428 O PRO A 53 42.361 25.270 0.954 1.00 0.03 O +ATOM 429 CB PRO A 53 45.765 24.937 0.894 1.00 0.03 C +ATOM 430 CG PRO A 53 46.507 23.808 1.528 1.00 0.03 C +ATOM 431 CD PRO A 53 46.424 24.155 3.000 1.00 0.03 C +ATOM 432 N ILE A 54 43.195 23.220 1.313 1.00 0.28 N +ATOM 433 CA ILE A 54 42.011 22.517 0.810 1.00 0.28 C +ATOM 434 C ILE A 54 40.750 22.872 1.563 1.00 0.28 C +ATOM 435 O ILE A 54 39.717 23.037 0.949 1.00 0.28 O +ATOM 436 CB ILE A 54 42.215 20.968 0.850 1.00 0.28 C +ATOM 437 CG1 ILE A 54 43.234 20.555 -0.226 1.00 0.28 C +ATOM 438 CG2 ILE A 54 40.887 20.264 0.639 1.00 0.28 C +ATOM 439 CD1 ILE A 54 43.793 19.149 -0.115 1.00 0.28 C +ATOM 440 N ASN A 55 40.829 22.991 2.881 1.00 0.00 N +ATOM 441 CA ASN A 55 39.651 23.294 3.669 1.00 0.00 C +ATOM 442 C ASN A 55 39.294 24.752 3.612 1.00 0.00 C +ATOM 443 O ASN A 55 38.102 25.083 3.615 1.00 0.00 O +ATOM 444 CB ASN A 55 39.861 22.838 5.108 1.00 0.00 C +ATOM 445 CG ASN A 55 39.597 21.357 5.282 1.00 0.00 C +ATOM 446 OD1 ASN A 55 38.467 20.899 5.108 1.00 0.00 O +ATOM 447 ND2 ASN A 55 40.635 20.597 5.613 1.00 0.00 N +ATOM 448 N PHE A 56 40.295 25.627 3.561 1.00 0.05 N +ATOM 449 CA PHE A 56 40.019 27.058 3.489 1.00 0.05 C +ATOM 450 C PHE A 56 39.431 27.412 2.119 1.00 0.05 C +ATOM 451 O PHE A 56 38.491 28.211 2.036 1.00 0.05 O +ATOM 452 CB PHE A 56 41.286 27.886 3.718 1.00 0.05 C +ATOM 453 CG PHE A 56 41.034 29.359 3.661 1.00 0.05 C +ATOM 454 CD1 PHE A 56 40.389 30.008 4.713 1.00 0.05 C +ATOM 455 CD2 PHE A 56 41.328 30.088 2.507 1.00 0.05 C +ATOM 456 CE1 PHE A 56 40.034 31.362 4.610 1.00 0.05 C +ATOM 457 CE2 PHE A 56 40.972 31.447 2.395 1.00 0.05 C +ATOM 458 CZ PHE A 56 40.327 32.079 3.441 1.00 0.05 C +ATOM 459 N LEU A 57 39.993 26.829 1.062 1.00 0.19 N +ATOM 460 CA LEU A 57 39.537 27.053 -0.310 1.00 0.19 C +ATOM 461 C LEU A 57 38.080 26.645 -0.409 1.00 0.19 C +ATOM 462 O LEU A 57 37.267 27.389 -0.923 1.00 0.19 O +ATOM 463 CB LEU A 57 40.369 26.204 -1.265 1.00 0.19 C +ATOM 464 CG LEU A 57 40.606 26.676 -2.686 1.00 0.19 C +ATOM 465 CD1 LEU A 57 40.678 25.449 -3.565 1.00 0.19 C +ATOM 466 CD2 LEU A 57 39.489 27.589 -3.143 1.00 0.19 C +ATOM 467 N THR A 58 37.766 25.453 0.087 1.00 0.00 N +ATOM 468 CA THR A 58 36.406 24.912 0.098 1.00 0.00 C +ATOM 469 C THR A 58 35.471 25.905 0.742 1.00 0.00 C +ATOM 470 O THR A 58 34.384 26.186 0.245 1.00 0.00 O +ATOM 471 CB THR A 58 36.339 23.643 0.937 1.00 0.00 C +ATOM 472 OG1 THR A 58 37.081 22.602 0.300 1.00 0.00 O +ATOM 473 CG2 THR A 58 34.902 23.217 1.130 1.00 0.00 C +ATOM 474 N LEU A 59 35.908 26.411 1.881 1.00 0.04 N +ATOM 475 CA LEU A 59 35.161 27.379 2.658 1.00 0.04 C +ATOM 476 C LEU A 59 34.949 28.671 1.868 1.00 0.04 C +ATOM 477 O LEU A 59 33.832 29.172 1.789 1.00 0.04 O +ATOM 478 CB LEU A 59 35.945 27.650 3.935 1.00 0.04 C +ATOM 479 CG LEU A 59 35.625 28.919 4.703 1.00 0.04 C +ATOM 480 CD1 LEU A 59 34.196 28.872 5.209 1.00 0.04 C +ATOM 481 CD2 LEU A 59 36.621 29.034 5.848 1.00 0.04 C +ATOM 482 N TYR A 60 36.022 29.192 1.282 1.00 5.80 N +ATOM 483 CA TYR A 60 35.964 30.433 0.521 1.00 5.80 C +ATOM 484 C TYR A 60 35.049 30.292 -0.682 1.00 5.80 C +ATOM 485 O TYR A 60 34.232 31.165 -0.936 1.00 5.80 O +ATOM 486 CB TYR A 60 37.379 30.824 0.086 1.00 5.80 C +ATOM 487 CG TYR A 60 37.521 32.209 -0.511 1.00 5.80 C +ATOM 488 CD1 TYR A 60 37.026 32.502 -1.783 1.00 5.80 C +ATOM 489 CD2 TYR A 60 38.157 33.233 0.198 1.00 5.80 C +ATOM 490 CE1 TYR A 60 37.162 33.793 -2.339 1.00 5.80 C +ATOM 491 CE2 TYR A 60 38.302 34.527 -0.345 1.00 5.80 C +ATOM 492 CZ TYR A 60 37.799 34.802 -1.611 1.00 5.80 C +ATOM 493 OH TYR A 60 37.912 36.077 -2.139 1.00 5.80 O +ATOM 494 N VAL A 61 35.159 29.204 -1.421 1.00 0.32 N +ATOM 495 CA VAL A 61 34.306 29.048 -2.582 1.00 0.32 C +ATOM 496 C VAL A 61 32.830 29.017 -2.179 1.00 0.32 C +ATOM 497 O VAL A 61 32.022 29.742 -2.754 1.00 0.32 O +ATOM 498 CB VAL A 61 34.676 27.773 -3.369 1.00 0.32 C +ATOM 499 CG1 VAL A 61 33.586 27.446 -4.395 1.00 0.32 C +ATOM 500 CG2 VAL A 61 36.018 27.984 -4.073 1.00 0.32 C +ATOM 501 N THR A 62 32.484 28.212 -1.182 1.00 0.00 N +ATOM 502 CA THR A 62 31.093 28.080 -0.754 1.00 0.00 C +ATOM 503 C THR A 62 30.473 29.420 -0.465 1.00 0.00 C +ATOM 504 O THR A 62 29.366 29.709 -0.905 1.00 0.00 O +ATOM 505 CB THR A 62 30.982 27.219 0.516 1.00 0.00 C +ATOM 506 OG1 THR A 62 31.647 25.972 0.299 1.00 0.00 O +ATOM 507 CG2 THR A 62 29.523 26.945 0.855 1.00 0.00 C +ATOM 508 N VAL A 63 31.186 30.248 0.272 1.00 0.31 N +ATOM 509 CA VAL A 63 30.656 31.536 0.650 1.00 0.31 C +ATOM 510 C VAL A 63 30.508 32.461 -0.526 1.00 0.31 C +ATOM 511 O VAL A 63 29.432 33.020 -0.741 1.00 0.31 O +ATOM 512 CB VAL A 63 31.554 32.180 1.694 1.00 0.31 C +ATOM 513 CG1 VAL A 63 31.172 33.621 1.888 1.00 0.31 C +ATOM 514 CG2 VAL A 63 31.428 31.425 2.995 1.00 0.31 C +ATOM 515 N GLN A 64 31.581 32.622 -1.284 1.00 0.64 N +ATOM 516 CA GLN A 64 31.587 33.520 -2.429 1.00 0.64 C +ATOM 517 C GLN A 64 30.488 33.246 -3.438 1.00 0.64 C +ATOM 518 O GLN A 64 29.975 34.196 -4.018 1.00 0.64 O +ATOM 519 CB GLN A 64 32.938 33.447 -3.108 1.00 0.64 C +ATOM 520 CG GLN A 64 32.952 33.957 -4.514 1.00 0.64 C +ATOM 521 CD GLN A 64 34.357 33.970 -5.066 1.00 0.64 C +ATOM 522 OE1 GLN A 64 35.168 34.839 -4.711 1.00 0.64 O +ATOM 523 NE2 GLN A 64 34.671 32.992 -5.922 1.00 0.64 N +ATOM 524 N HIS A 65 30.127 31.987 -3.663 1.00 0.13 N +ATOM 525 CA HIS A 65 29.089 31.684 -4.637 1.00 0.13 C +ATOM 526 C HIS A 65 27.749 31.633 -3.981 1.00 0.13 C +ATOM 527 O HIS A 65 27.326 30.612 -3.466 1.00 0.13 O +ATOM 528 CB HIS A 65 29.435 30.395 -5.351 1.00 0.13 C +ATOM 529 CG HIS A 65 30.654 30.519 -6.198 1.00 0.13 C +ATOM 530 ND1 HIS A 65 30.625 30.396 -7.570 1.00 0.13 N +ATOM 531 CD2 HIS A 65 31.930 30.826 -5.874 1.00 0.13 C +ATOM 532 CE1 HIS A 65 31.833 30.618 -8.054 1.00 0.13 C +ATOM 533 NE2 HIS A 65 32.643 30.882 -7.045 1.00 0.13 N +ATOM 534 N LYS A 66 27.079 32.773 -4.042 1.00 0.00 N +ATOM 535 CA LYS A 66 25.783 32.997 -3.422 1.00 0.00 C +ATOM 536 C LYS A 66 24.726 31.956 -3.707 1.00 0.00 C +ATOM 537 O LYS A 66 23.707 31.954 -3.023 1.00 0.00 O +ATOM 538 CB LYS A 66 25.277 34.394 -3.798 1.00 0.00 C +ATOM 539 CG LYS A 66 25.815 35.500 -2.884 1.00 0.00 C +ATOM 540 CD LYS A 66 27.345 35.509 -2.815 1.00 0.00 C +ATOM 541 CE LYS A 66 27.867 36.339 -1.624 1.00 0.00 C +ATOM 542 NZ LYS A 66 29.376 36.392 -1.524 1.00 0.00 N +ATOM 543 N LYS A 67 24.933 31.065 -4.663 1.00 1.32 N +ATOM 544 CA LYS A 67 23.881 30.092 -4.935 1.00 1.32 C +ATOM 545 C LYS A 67 24.197 28.736 -4.347 1.00 1.32 C +ATOM 546 O LYS A 67 23.323 27.886 -4.311 1.00 1.32 O +ATOM 547 CB LYS A 67 23.617 29.973 -6.444 1.00 1.32 C +ATOM 548 CG LYS A 67 23.480 31.325 -7.194 1.00 1.32 C +ATOM 549 CD LYS A 67 22.312 32.210 -6.702 1.00 1.32 C +ATOM 550 CE LYS A 67 20.954 31.525 -6.895 1.00 1.32 C +ATOM 551 NZ LYS A 67 20.772 30.980 -8.287 1.00 1.32 N +ATOM 552 N LEU A 68 25.424 28.517 -3.894 1.00 0.00 N +ATOM 553 CA LEU A 68 25.761 27.234 -3.288 1.00 0.00 C +ATOM 554 C LEU A 68 25.120 27.216 -1.894 1.00 0.00 C +ATOM 555 O LEU A 68 25.815 27.355 -0.886 1.00 0.00 O +ATOM 556 CB LEU A 68 27.285 27.099 -3.198 1.00 0.00 C +ATOM 557 CG LEU A 68 28.065 27.034 -4.514 1.00 0.00 C +ATOM 558 CD1 LEU A 68 29.549 27.218 -4.235 1.00 0.00 C +ATOM 559 CD2 LEU A 68 27.804 25.715 -5.202 1.00 0.00 C +ATOM 560 N ARG A 69 23.800 27.037 -1.840 1.00 0.03 N +ATOM 561 CA ARG A 69 23.087 27.072 -0.561 1.00 0.03 C +ATOM 562 C ARG A 69 22.188 25.868 -0.298 1.00 0.03 C +ATOM 563 O ARG A 69 21.192 26.011 0.419 1.00 0.03 O +ATOM 564 CB ARG A 69 22.255 28.345 -0.497 1.00 0.03 C +ATOM 565 CG ARG A 69 23.087 29.577 -0.650 1.00 0.03 C +ATOM 566 CD ARG A 69 23.937 29.726 0.560 1.00 0.03 C +ATOM 567 NE ARG A 69 24.826 30.874 0.479 1.00 0.03 N +ATOM 568 CZ ARG A 69 26.014 30.867 -0.118 1.00 0.03 C +ATOM 569 NH1 ARG A 69 26.463 29.761 -0.699 1.00 0.03 N +ATOM 570 NH2 ARG A 69 26.768 31.961 -0.110 1.00 0.03 N +ATOM 571 N THR A 70 22.528 24.699 -0.832 1.00 8.86 N +ATOM 572 CA THR A 70 21.717 23.500 -0.609 1.00 8.86 C +ATOM 573 C THR A 70 22.059 22.902 0.737 1.00 8.86 C +ATOM 574 O THR A 70 23.028 23.330 1.369 1.00 8.86 O +ATOM 575 CB THR A 70 21.994 22.429 -1.684 1.00 8.86 C +ATOM 576 OG1 THR A 70 23.349 21.989 -1.600 1.00 8.86 O +ATOM 577 CG2 THR A 70 21.793 23.003 -3.048 1.00 8.86 C +ATOM 578 N PRO A 71 21.272 21.919 1.209 1.00 0.19 N +ATOM 579 CA PRO A 71 21.602 21.327 2.502 1.00 0.19 C +ATOM 580 C PRO A 71 23.014 20.754 2.436 1.00 0.19 C +ATOM 581 O PRO A 71 23.737 20.788 3.426 1.00 0.19 O +ATOM 582 CB PRO A 71 20.535 20.251 2.657 1.00 0.19 C +ATOM 583 CG PRO A 71 19.354 20.888 2.020 1.00 0.19 C +ATOM 584 CD PRO A 71 19.966 21.425 0.739 1.00 0.19 C +ATOM 585 N LEU A 72 23.402 20.254 1.262 1.00 0.00 N +ATOM 586 CA LEU A 72 24.734 19.683 1.060 1.00 0.00 C +ATOM 587 C LEU A 72 25.827 20.753 1.072 1.00 0.00 C +ATOM 588 O LEU A 72 26.909 20.518 1.613 1.00 0.00 O +ATOM 589 CB LEU A 72 24.799 18.931 -0.263 1.00 0.00 C +ATOM 590 CG LEU A 72 26.192 18.367 -0.560 1.00 0.00 C +ATOM 591 CD1 LEU A 72 26.503 17.258 0.421 1.00 0.00 C +ATOM 592 CD2 LEU A 72 26.268 17.832 -1.964 1.00 0.00 C +ATOM 593 N ASN A 73 25.566 21.904 0.462 1.00 0.00 N +ATOM 594 CA ASN A 73 26.550 22.977 0.444 1.00 0.00 C +ATOM 595 C ASN A 73 26.784 23.438 1.867 1.00 0.00 C +ATOM 596 O ASN A 73 27.880 23.910 2.173 1.00 0.00 O +ATOM 597 CB ASN A 73 26.076 24.165 -0.412 1.00 0.00 C +ATOM 598 CG ASN A 73 26.010 23.836 -1.898 1.00 0.00 C +ATOM 599 OD1 ASN A 73 26.941 23.264 -2.463 1.00 0.00 O +ATOM 600 ND2 ASN A 73 24.910 24.214 -2.539 1.00 0.00 N +ATOM 601 N TYR A 74 25.773 23.317 2.727 1.00 0.00 N +ATOM 602 CA TYR A 74 25.919 23.718 4.123 1.00 0.00 C +ATOM 603 C TYR A 74 26.755 22.703 4.866 1.00 0.00 C +ATOM 604 O TYR A 74 27.777 23.065 5.436 1.00 0.00 O +ATOM 605 CB TYR A 74 24.562 23.830 4.804 1.00 0.00 C +ATOM 606 CG TYR A 74 23.913 25.152 4.575 1.00 0.00 C +ATOM 607 CD1 TYR A 74 24.028 26.176 5.508 1.00 0.00 C +ATOM 608 CD2 TYR A 74 23.232 25.411 3.386 1.00 0.00 C +ATOM 609 CE1 TYR A 74 23.481 27.435 5.253 1.00 0.00 C +ATOM 610 CE2 TYR A 74 22.682 26.661 3.122 1.00 0.00 C +ATOM 611 CZ TYR A 74 22.814 27.662 4.055 1.00 0.00 C +ATOM 612 OH TYR A 74 22.297 28.892 3.764 1.00 0.00 O +ATOM 613 N ILE A 75 26.326 21.443 4.854 1.00 0.12 N +ATOM 614 CA ILE A 75 27.014 20.369 5.557 1.00 0.12 C +ATOM 615 C ILE A 75 28.470 20.308 5.201 1.00 0.12 C +ATOM 616 O ILE A 75 29.293 20.035 6.070 1.00 0.12 O +ATOM 617 CB ILE A 75 26.334 19.005 5.277 1.00 0.12 C +ATOM 618 CG1 ILE A 75 25.084 18.887 6.152 1.00 0.12 C +ATOM 619 CG2 ILE A 75 27.307 17.856 5.515 1.00 0.12 C +ATOM 620 CD1 ILE A 75 25.318 19.308 7.620 1.00 0.12 C +ATOM 621 N LEU A 76 28.813 20.560 3.946 1.00 0.01 N +ATOM 622 CA LEU A 76 30.214 20.505 3.589 1.00 0.01 C +ATOM 623 C LEU A 76 30.938 21.758 3.994 1.00 0.01 C +ATOM 624 O LEU A 76 32.143 21.717 4.153 1.00 0.01 O +ATOM 625 CB LEU A 76 30.399 20.177 2.112 1.00 0.01 C +ATOM 626 CG LEU A 76 30.610 18.652 2.095 1.00 0.01 C +ATOM 627 CD1 LEU A 76 29.364 17.952 1.609 1.00 0.01 C +ATOM 628 CD2 LEU A 76 31.798 18.297 1.253 1.00 0.01 C +ATOM 629 N LEU A 77 30.237 22.868 4.172 1.00 0.78 N +ATOM 630 CA LEU A 77 30.916 24.075 4.641 1.00 0.78 C +ATOM 631 C LEU A 77 31.237 23.819 6.100 1.00 0.78 C +ATOM 632 O LEU A 77 32.309 24.161 6.588 1.00 0.78 O +ATOM 633 CB LEU A 77 30.006 25.307 4.521 1.00 0.78 C +ATOM 634 CG LEU A 77 30.605 26.607 5.071 1.00 0.78 C +ATOM 635 CD1 LEU A 77 32.001 26.853 4.527 1.00 0.78 C +ATOM 636 CD2 LEU A 77 29.692 27.736 4.703 1.00 0.78 C +ATOM 637 N ASN A 78 30.280 23.202 6.781 1.00 0.00 N +ATOM 638 CA ASN A 78 30.388 22.834 8.182 1.00 0.00 C +ATOM 639 C ASN A 78 31.632 21.957 8.328 1.00 0.00 C +ATOM 640 O ASN A 78 32.489 22.238 9.157 1.00 0.00 O +ATOM 641 CB ASN A 78 29.095 22.086 8.571 1.00 0.00 C +ATOM 642 CG ASN A 78 29.113 21.514 9.981 1.00 0.00 C +ATOM 643 OD1 ASN A 78 29.474 22.196 10.948 1.00 0.00 O +ATOM 644 ND2 ASN A 78 28.688 20.250 10.103 1.00 0.00 N +ATOM 645 N LEU A 79 31.746 20.925 7.498 1.00 0.00 N +ATOM 646 CA LEU A 79 32.885 20.029 7.558 1.00 0.00 C +ATOM 647 C LEU A 79 34.202 20.756 7.342 1.00 0.00 C +ATOM 648 O LEU A 79 35.183 20.421 8.006 1.00 0.00 O +ATOM 649 CB LEU A 79 32.722 18.928 6.527 1.00 0.00 C +ATOM 650 CG LEU A 79 32.017 17.658 6.999 1.00 0.00 C +ATOM 651 CD1 LEU A 79 31.441 17.820 8.410 1.00 0.00 C +ATOM 652 CD2 LEU A 79 30.956 17.315 5.969 1.00 0.00 C +ATOM 653 N ALA A 80 34.241 21.733 6.437 1.00 0.01 N +ATOM 654 CA ALA A 80 35.476 22.472 6.163 1.00 0.01 C +ATOM 655 C ALA A 80 35.868 23.269 7.392 1.00 0.01 C +ATOM 656 O ALA A 80 37.042 23.387 7.712 1.00 0.01 O +ATOM 657 CB ALA A 80 35.290 23.409 4.946 1.00 0.01 C +ATOM 658 N VAL A 81 34.890 23.811 8.094 1.00 3.81 N +ATOM 659 CA VAL A 81 35.185 24.585 9.287 1.00 3.81 C +ATOM 660 C VAL A 81 35.723 23.669 10.382 1.00 3.81 C +ATOM 661 O VAL A 81 36.739 23.963 11.003 1.00 3.81 O +ATOM 662 CB VAL A 81 33.919 25.300 9.751 1.00 3.81 C +ATOM 663 CG1 VAL A 81 34.185 26.097 11.001 1.00 3.81 C +ATOM 664 CG2 VAL A 81 33.436 26.197 8.641 1.00 3.81 C +ATOM 665 N ALA A 82 35.037 22.556 10.600 1.00 0.10 N +ATOM 666 CA ALA A 82 35.434 21.596 11.604 1.00 0.10 C +ATOM 667 C ALA A 82 36.826 21.046 11.284 1.00 0.10 C +ATOM 668 O ALA A 82 37.581 20.750 12.204 1.00 0.10 O +ATOM 669 CB ALA A 82 34.407 20.471 11.666 1.00 0.10 C +ATOM 670 N ASP A 83 37.169 20.930 9.998 1.00 0.00 N +ATOM 671 CA ASP A 83 38.472 20.407 9.549 1.00 0.00 C +ATOM 672 C ASP A 83 39.557 21.458 9.781 1.00 0.00 C +ATOM 673 O ASP A 83 40.721 21.094 9.991 1.00 0.00 O +ATOM 674 CB ASP A 83 38.462 20.026 8.056 1.00 0.00 C +ATOM 675 CG ASP A 83 37.573 18.838 7.742 1.00 0.00 C +ATOM 676 OD1 ASP A 83 37.126 18.132 8.660 1.00 0.00 O +ATOM 677 OD2 ASP A 83 37.323 18.602 6.550 1.00 0.00 O +ATOM 678 N LEU A 84 39.197 22.740 9.724 1.00 0.00 N +ATOM 679 CA LEU A 84 40.169 23.806 9.967 1.00 0.00 C +ATOM 680 C LEU A 84 40.443 23.885 11.462 1.00 0.00 C +ATOM 681 O LEU A 84 41.531 24.298 11.855 1.00 0.00 O +ATOM 682 CB LEU A 84 39.659 25.154 9.430 1.00 0.00 C +ATOM 683 CG LEU A 84 39.790 25.391 7.912 1.00 0.00 C +ATOM 684 CD1 LEU A 84 38.895 26.542 7.491 1.00 0.00 C +ATOM 685 CD2 LEU A 84 41.233 25.674 7.539 1.00 0.00 C +ATOM 686 N PHE A 85 39.467 23.499 12.288 1.00 0.02 N +ATOM 687 CA PHE A 85 39.668 23.473 13.736 1.00 0.02 C +ATOM 688 C PHE A 85 40.601 22.326 14.051 1.00 0.02 C +ATOM 689 O PHE A 85 41.421 22.412 14.947 1.00 0.02 O +ATOM 690 CB PHE A 85 38.345 23.280 14.469 1.00 0.02 C +ATOM 691 CG PHE A 85 37.628 24.559 14.749 1.00 0.02 C +ATOM 692 CD1 PHE A 85 38.246 25.565 15.488 1.00 0.02 C +ATOM 693 CD2 PHE A 85 36.339 24.769 14.271 1.00 0.02 C +ATOM 694 CE1 PHE A 85 37.582 26.780 15.753 1.00 0.02 C +ATOM 695 CE2 PHE A 85 35.667 25.967 14.522 1.00 0.02 C +ATOM 696 CZ PHE A 85 36.288 26.979 15.266 1.00 0.02 C +ATOM 697 N MET A 86 40.461 21.245 13.306 1.00 4.69 N +ATOM 698 CA MET A 86 41.331 20.103 13.474 1.00 4.69 C +ATOM 699 C MET A 86 42.761 20.534 13.195 1.00 4.69 C +ATOM 700 O MET A 86 43.621 20.361 14.041 1.00 4.69 O +ATOM 701 CB MET A 86 40.935 18.984 12.504 1.00 4.69 C +ATOM 702 CG MET A 86 39.535 18.452 12.733 1.00 4.69 C +ATOM 703 SD MET A 86 39.137 16.991 11.762 1.00 4.69 S +ATOM 704 CE MET A 86 39.972 15.752 12.693 1.00 4.69 C +ATOM 705 N VAL A 87 42.996 21.107 12.017 1.00 0.01 N +ATOM 706 CA VAL A 87 44.326 21.540 11.591 1.00 0.01 C +ATOM 707 C VAL A 87 44.966 22.489 12.573 1.00 0.01 C +ATOM 708 O VAL A 87 46.048 22.226 13.080 1.00 0.01 O +ATOM 709 CB VAL A 87 44.267 22.237 10.220 1.00 0.01 C +ATOM 710 CG1 VAL A 87 45.640 22.673 9.806 1.00 0.01 C +ATOM 711 CG2 VAL A 87 43.674 21.315 9.190 1.00 0.01 C +ATOM 712 N PHE A 88 44.304 23.600 12.845 1.00 0.20 N +ATOM 713 CA PHE A 88 44.868 24.598 13.749 1.00 0.20 C +ATOM 714 C PHE A 88 44.629 24.247 15.203 1.00 0.20 C +ATOM 715 O PHE A 88 45.496 24.502 16.040 1.00 0.20 O +ATOM 716 CB PHE A 88 44.292 25.979 13.425 1.00 0.20 C +ATOM 717 CG PHE A 88 44.708 26.508 12.079 1.00 0.20 C +ATOM 718 CD1 PHE A 88 46.048 26.756 11.801 1.00 0.20 C +ATOM 719 CD2 PHE A 88 43.766 26.706 11.065 1.00 0.20 C +ATOM 720 CE1 PHE A 88 46.450 27.192 10.523 1.00 0.20 C +ATOM 721 CE2 PHE A 88 44.158 27.141 9.787 1.00 0.20 C +ATOM 722 CZ PHE A 88 45.498 27.381 9.515 1.00 0.20 C +ATOM 723 N GLY A 89 43.480 23.654 15.502 1.00 0.47 N +ATOM 724 CA GLY A 89 43.179 23.294 16.874 1.00 0.47 C +ATOM 725 C GLY A 89 44.055 22.222 17.508 1.00 0.47 C +ATOM 726 O GLY A 89 44.655 22.447 18.546 1.00 0.47 O +ATOM 727 N GLY A 90 44.141 21.051 16.896 1.00 71.99 N +ATOM 728 CA GLY A 90 44.943 20.013 17.504 1.00 71.99 C +ATOM 729 C GLY A 90 46.161 19.576 16.740 1.00 71.99 C +ATOM 730 O GLY A 90 47.115 19.165 17.353 1.00 71.99 O +ATOM 731 N PHE A 91 46.133 19.669 15.415 1.00 13.02 N +ATOM 732 CA PHE A 91 47.253 19.227 14.577 1.00 13.02 C +ATOM 733 C PHE A 91 48.484 20.004 14.841 1.00 13.02 C +ATOM 734 O PHE A 91 49.584 19.512 14.631 1.00 13.02 O +ATOM 735 CB PHE A 91 46.893 19.315 13.105 1.00 13.02 C +ATOM 736 CG PHE A 91 45.960 18.236 12.664 1.00 13.02 C +ATOM 737 CD1 PHE A 91 45.235 17.507 13.600 1.00 13.02 C +ATOM 738 CD2 PHE A 91 45.808 17.938 11.314 1.00 13.02 C +ATOM 739 CE1 PHE A 91 44.380 16.501 13.200 1.00 13.02 C +ATOM 740 CE2 PHE A 91 44.952 16.927 10.903 1.00 13.02 C +ATOM 741 CZ PHE A 91 44.236 16.204 11.844 1.00 13.02 C +ATOM 742 N THR A 92 48.312 21.225 15.303 1.00 5.97 N +ATOM 743 CA THR A 92 49.444 22.058 15.624 1.00 5.97 C +ATOM 744 C THR A 92 50.146 21.465 16.853 1.00 5.97 C +ATOM 745 O THR A 92 51.373 21.421 16.935 1.00 5.97 O +ATOM 746 CB THR A 92 48.933 23.469 15.883 1.00 5.97 C +ATOM 747 OG1 THR A 92 47.778 23.401 16.729 1.00 5.97 O +ATOM 748 CG2 THR A 92 48.518 24.120 14.569 1.00 5.97 C +ATOM 749 N THR A 93 49.360 20.981 17.802 1.00 2.15 N +ATOM 750 CA THR A 93 49.926 20.388 18.993 1.00 2.15 C +ATOM 751 C THR A 93 50.468 19.009 18.679 1.00 2.15 C +ATOM 752 O THR A 93 51.507 18.646 19.215 1.00 2.15 O +ATOM 753 CB THR A 93 48.881 20.254 20.117 1.00 2.15 C +ATOM 754 OG1 THR A 93 48.595 21.546 20.658 1.00 2.15 O +ATOM 755 CG2 THR A 93 49.401 19.349 21.233 1.00 2.15 C +ATOM 756 N THR A 94 49.794 18.235 17.832 1.00 5.52 N +ATOM 757 CA THR A 94 50.294 16.897 17.540 1.00 5.52 C +ATOM 758 C THR A 94 51.595 16.932 16.752 1.00 5.52 C +ATOM 759 O THR A 94 52.394 16.019 16.857 1.00 5.52 O +ATOM 760 CB THR A 94 49.245 16.034 16.813 1.00 5.52 C +ATOM 761 OG1 THR A 94 49.913 15.010 16.063 1.00 5.52 O +ATOM 762 CG2 THR A 94 48.389 16.862 15.923 1.00 5.52 C +ATOM 763 N LEU A 95 51.816 17.984 15.982 1.00 0.66 N +ATOM 764 CA LEU A 95 53.072 18.091 15.261 1.00 0.66 C +ATOM 765 C LEU A 95 54.101 18.583 16.238 1.00 0.66 C +ATOM 766 O LEU A 95 55.233 18.137 16.215 1.00 0.66 O +ATOM 767 CB LEU A 95 52.975 19.085 14.110 1.00 0.66 C +ATOM 768 CG LEU A 95 54.327 19.491 13.512 1.00 0.66 C +ATOM 769 CD1 LEU A 95 55.087 18.277 13.016 1.00 0.66 C +ATOM 770 CD2 LEU A 95 54.083 20.446 12.376 1.00 0.66 C +ATOM 771 N TYR A 96 53.704 19.506 17.102 1.00 0.59 N +ATOM 772 CA TYR A 96 54.617 20.049 18.086 1.00 0.59 C +ATOM 773 C TYR A 96 55.055 18.965 19.038 1.00 0.59 C +ATOM 774 O TYR A 96 56.213 18.940 19.449 1.00 0.59 O +ATOM 775 CB TYR A 96 53.940 21.140 18.889 1.00 0.59 C +ATOM 776 CG TYR A 96 54.903 21.858 19.787 1.00 0.59 C +ATOM 777 CD1 TYR A 96 55.786 22.799 19.267 1.00 0.59 C +ATOM 778 CD2 TYR A 96 54.961 21.584 21.151 1.00 0.59 C +ATOM 779 CE1 TYR A 96 56.711 23.461 20.073 1.00 0.59 C +ATOM 780 CE2 TYR A 96 55.885 22.241 21.977 1.00 0.59 C +ATOM 781 CZ TYR A 96 56.763 23.184 21.427 1.00 0.59 C +ATOM 782 OH TYR A 96 57.698 23.847 22.210 1.00 0.59 O +ATOM 783 N THR A 97 54.122 18.092 19.406 1.00 0.29 N +ATOM 784 CA THR A 97 54.373 16.991 20.321 1.00 0.29 C +ATOM 785 C THR A 97 55.240 15.922 19.668 1.00 0.29 C +ATOM 786 O THR A 97 56.152 15.406 20.303 1.00 0.29 O +ATOM 787 CB THR A 97 53.053 16.383 20.741 1.00 0.29 C +ATOM 788 OG1 THR A 97 52.332 17.344 21.522 1.00 0.29 O +ATOM 789 CG2 THR A 97 53.273 15.111 21.521 1.00 0.29 C +ATOM 790 N SER A 98 54.949 15.574 18.417 1.00 0.21 N +ATOM 791 CA SER A 98 55.732 14.573 17.711 1.00 0.21 C +ATOM 792 C SER A 98 57.153 15.036 17.638 1.00 0.21 C +ATOM 793 O SER A 98 58.057 14.224 17.802 1.00 0.21 O +ATOM 794 CB SER A 98 55.207 14.373 16.297 1.00 0.21 C +ATOM 795 OG SER A 98 53.973 13.717 16.329 1.00 0.21 O +ATOM 796 N LEU A 99 57.352 16.338 17.403 1.00 0.38 N +ATOM 797 CA LEU A 99 58.700 16.944 17.275 1.00 0.38 C +ATOM 798 C LEU A 99 59.522 16.848 18.536 1.00 0.38 C +ATOM 799 O LEU A 99 60.732 16.907 18.448 1.00 0.38 O +ATOM 800 CB LEU A 99 58.612 18.422 16.865 1.00 0.38 C +ATOM 801 CG LEU A 99 58.346 18.689 15.382 1.00 0.38 C +ATOM 802 CD1 LEU A 99 58.062 20.146 15.174 1.00 0.38 C +ATOM 803 CD2 LEU A 99 59.532 18.223 14.548 1.00 0.38 C +ATOM 804 N HIS A 100 58.891 16.708 19.693 1.00 2.01 N +ATOM 805 CA HIS A 100 59.630 16.621 20.941 1.00 2.01 C +ATOM 806 C HIS A 100 59.559 15.233 21.537 1.00 2.01 C +ATOM 807 O HIS A 100 60.275 14.955 22.493 1.00 2.01 O +ATOM 808 CB HIS A 100 59.091 17.667 21.910 1.00 2.01 C +ATOM 809 CG HIS A 100 59.284 19.071 21.424 1.00 2.01 C +ATOM 810 ND1 HIS A 100 60.531 19.655 21.300 1.00 2.01 N +ATOM 811 CD2 HIS A 100 58.395 20.005 21.014 1.00 2.01 C +ATOM 812 CE1 HIS A 100 60.401 20.886 20.840 1.00 2.01 C +ATOM 813 NE2 HIS A 100 59.114 21.125 20.659 1.00 2.01 N +ATOM 814 N GLY A 101 58.719 14.365 20.972 1.00 0.04 N +ATOM 815 CA GLY A 101 58.589 13.016 21.489 1.00 0.04 C +ATOM 816 C GLY A 101 57.705 12.924 22.722 1.00 0.04 C +ATOM 817 O GLY A 101 57.713 11.913 23.402 1.00 0.04 O +ATOM 818 N TYR A 102 56.949 13.980 23.019 1.00 0.01 N +ATOM 819 CA TYR A 102 56.048 13.997 24.179 1.00 0.01 C +ATOM 820 C TYR A 102 55.266 15.307 24.238 1.00 0.01 C +ATOM 821 O TYR A 102 55.601 16.273 23.545 1.00 0.01 O +ATOM 822 CB TYR A 102 56.830 13.797 25.500 1.00 0.01 C +ATOM 823 CG TYR A 102 57.514 15.044 26.063 1.00 0.01 C +ATOM 824 CD1 TYR A 102 58.713 15.527 25.524 1.00 0.01 C +ATOM 825 CD2 TYR A 102 56.947 15.742 27.128 1.00 0.01 C +ATOM 826 CE1 TYR A 102 59.329 16.674 26.032 1.00 0.01 C +ATOM 827 CE2 TYR A 102 57.546 16.886 27.645 1.00 0.01 C +ATOM 828 CZ TYR A 102 58.737 17.353 27.095 1.00 0.01 C +ATOM 829 OH TYR A 102 59.308 18.501 27.616 1.00 0.01 O +ATOM 830 N PHE A 103 54.242 15.326 25.087 1.00 0.02 N +ATOM 831 CA PHE A 103 53.371 16.477 25.263 1.00 0.02 C +ATOM 832 C PHE A 103 53.998 17.531 26.149 1.00 0.02 C +ATOM 833 O PHE A 103 53.657 17.627 27.330 1.00 0.02 O +ATOM 834 CB PHE A 103 52.026 16.024 25.842 1.00 0.02 C +ATOM 835 CG PHE A 103 51.060 15.533 24.802 1.00 0.02 C +ATOM 836 CD1 PHE A 103 50.374 16.442 23.993 1.00 0.02 C +ATOM 837 CD2 PHE A 103 50.857 14.173 24.605 1.00 0.02 C +ATOM 838 CE1 PHE A 103 49.503 16.006 23.004 1.00 0.02 C +ATOM 839 CE2 PHE A 103 49.986 13.727 23.615 1.00 0.02 C +ATOM 840 CZ PHE A 103 49.306 14.647 22.811 1.00 0.02 C +ATOM 841 N VAL A 104 54.902 18.327 25.574 1.00 0.26 N +ATOM 842 CA VAL A 104 55.553 19.389 26.327 1.00 0.26 C +ATOM 843 C VAL A 104 54.480 20.264 26.988 1.00 0.26 C +ATOM 844 O VAL A 104 54.658 20.670 28.133 1.00 0.26 O +ATOM 845 CB VAL A 104 56.470 20.304 25.432 1.00 0.26 C +ATOM 846 CG1 VAL A 104 57.146 19.494 24.361 1.00 0.26 C +ATOM 847 CG2 VAL A 104 55.665 21.437 24.836 1.00 0.26 C +ATOM 848 N PHE A 105 53.376 20.545 26.305 1.00 0.02 N +ATOM 849 CA PHE A 105 52.344 21.374 26.921 1.00 0.02 C +ATOM 850 C PHE A 105 51.540 20.607 27.942 1.00 0.02 C +ATOM 851 O PHE A 105 50.456 21.071 28.353 1.00 0.02 O +ATOM 852 CB PHE A 105 51.406 21.926 25.864 1.00 0.02 C +ATOM 853 CG PHE A 105 52.092 22.773 24.862 1.00 0.02 C +ATOM 854 CD1 PHE A 105 52.948 23.801 25.278 1.00 0.02 C +ATOM 855 CD2 PHE A 105 51.902 22.548 23.499 1.00 0.02 C +ATOM 856 CE1 PHE A 105 53.617 24.598 24.357 1.00 0.02 C +ATOM 857 CE2 PHE A 105 52.563 23.338 22.560 1.00 0.02 C +ATOM 858 CZ PHE A 105 53.428 24.371 22.992 1.00 0.02 C +ATOM 859 N GLY A 106 52.032 19.446 28.352 1.00 0.00 N +ATOM 860 CA GLY A 106 51.300 18.677 29.336 1.00 0.00 C +ATOM 861 C GLY A 106 49.846 18.389 28.984 1.00 0.00 C +ATOM 862 O GLY A 106 49.443 18.460 27.829 1.00 0.00 O +ATOM 863 N PRO A 107 49.031 18.045 29.982 1.00 1.01 N +ATOM 864 CA PRO A 107 47.624 17.746 29.726 1.00 1.01 C +ATOM 865 C PRO A 107 46.874 18.753 28.901 1.00 1.01 C +ATOM 866 O PRO A 107 45.934 18.369 28.208 1.00 1.01 O +ATOM 867 CB PRO A 107 47.040 17.563 31.135 1.00 1.01 C +ATOM 868 CG PRO A 107 48.051 18.183 32.042 1.00 1.01 C +ATOM 869 CD PRO A 107 49.349 17.841 31.401 1.00 1.01 C +ATOM 870 N THR A 108 47.268 20.020 28.942 1.00 1.60 N +ATOM 871 CA THR A 108 46.554 21.010 28.143 1.00 1.60 C +ATOM 872 C THR A 108 46.731 20.679 26.672 1.00 1.60 C +ATOM 873 O THR A 108 45.743 20.634 25.929 1.00 1.60 O +ATOM 874 CB THR A 108 47.053 22.434 28.418 1.00 1.60 C +ATOM 875 OG1 THR A 108 46.988 22.695 29.824 1.00 1.60 O +ATOM 876 CG2 THR A 108 46.168 23.443 27.709 1.00 1.60 C +ATOM 877 N GLY A 109 47.972 20.435 26.255 1.00 0.54 N +ATOM 878 CA GLY A 109 48.221 20.085 24.871 1.00 0.54 C +ATOM 879 C GLY A 109 47.509 18.805 24.476 1.00 0.54 C +ATOM 880 O GLY A 109 47.106 18.649 23.342 1.00 0.54 O +ATOM 881 N CYS A 110 47.342 17.902 25.436 1.00 0.00 N +ATOM 882 CA CYS A 110 46.710 16.607 25.237 1.00 0.00 C +ATOM 883 C CYS A 110 45.250 16.801 25.048 1.00 0.00 C +ATOM 884 O CYS A 110 44.613 16.051 24.304 1.00 0.00 O +ATOM 885 CB CYS A 110 46.947 15.741 26.454 1.00 0.00 C +ATOM 886 SG CYS A 110 46.245 14.064 26.418 1.00 0.00 S +ATOM 887 N ASN A 111 44.706 17.802 25.730 1.00 0.05 N +ATOM 888 CA ASN A 111 43.285 18.090 25.621 1.00 0.05 C +ATOM 889 C ASN A 111 42.993 18.725 24.281 1.00 0.05 C +ATOM 890 O ASN A 111 41.990 18.393 23.666 1.00 0.05 O +ATOM 891 CB ASN A 111 42.832 19.007 26.756 1.00 0.05 C +ATOM 892 CG ASN A 111 42.793 18.299 28.096 1.00 0.05 C +ATOM 893 OD1 ASN A 111 42.142 17.268 28.263 1.00 0.05 O +ATOM 894 ND2 ASN A 111 43.488 18.859 29.058 1.00 0.05 N +ATOM 895 N LEU A 112 43.860 19.625 23.823 1.00 1.54 N +ATOM 896 CA LEU A 112 43.666 20.273 22.525 1.00 1.54 C +ATOM 897 C LEU A 112 43.704 19.217 21.470 1.00 1.54 C +ATOM 898 O LEU A 112 42.803 19.126 20.645 1.00 1.54 O +ATOM 899 CB LEU A 112 44.782 21.287 22.260 1.00 1.54 C +ATOM 900 CG LEU A 112 44.800 22.515 23.176 1.00 1.54 C +ATOM 901 CD1 LEU A 112 46.073 23.298 22.920 1.00 1.54 C +ATOM 902 CD2 LEU A 112 43.538 23.372 22.953 1.00 1.54 C +ATOM 903 N GLU A 113 44.770 18.424 21.521 1.00 0.65 N +ATOM 904 CA GLU A 113 45.010 17.316 20.608 1.00 0.65 C +ATOM 905 C GLU A 113 43.772 16.389 20.579 1.00 0.65 C +ATOM 906 O GLU A 113 43.213 16.160 19.505 1.00 0.65 O +ATOM 907 CB GLU A 113 46.260 16.552 21.076 1.00 0.65 C +ATOM 908 CG GLU A 113 47.174 16.079 19.972 1.00 0.65 C +ATOM 909 CD GLU A 113 46.474 15.165 19.002 1.00 0.65 C +ATOM 910 OE1 GLU A 113 45.823 14.211 19.480 1.00 0.65 O +ATOM 911 OE2 GLU A 113 46.574 15.394 17.771 1.00 0.65 O +ATOM 912 N GLY A 114 43.335 15.890 21.739 1.00 1.33 N +ATOM 913 CA GLY A 114 42.184 15.004 21.789 1.00 1.33 C +ATOM 914 C GLY A 114 40.857 15.626 21.392 1.00 1.33 C +ATOM 915 O GLY A 114 40.156 15.093 20.544 1.00 1.33 O +ATOM 916 N PHE A 115 40.525 16.764 21.996 1.00 0.30 N +ATOM 917 CA PHE A 115 39.258 17.466 21.746 1.00 0.30 C +ATOM 918 C PHE A 115 39.011 17.775 20.281 1.00 0.30 C +ATOM 919 O PHE A 115 37.971 17.416 19.743 1.00 0.30 O +ATOM 920 CB PHE A 115 39.188 18.784 22.546 1.00 0.30 C +ATOM 921 CG PHE A 115 37.928 19.574 22.305 1.00 0.30 C +ATOM 922 CD1 PHE A 115 36.707 19.137 22.816 1.00 0.30 C +ATOM 923 CD2 PHE A 115 37.950 20.726 21.523 1.00 0.30 C +ATOM 924 CE1 PHE A 115 35.521 19.832 22.551 1.00 0.30 C +ATOM 925 CE2 PHE A 115 36.768 21.431 21.248 1.00 0.30 C +ATOM 926 CZ PHE A 115 35.553 20.978 21.765 1.00 0.30 C +ATOM 927 N PHE A 116 39.945 18.432 19.625 1.00 8.79 N +ATOM 928 CA PHE A 116 39.698 18.795 18.247 1.00 8.79 C +ATOM 929 C PHE A 116 39.623 17.645 17.300 1.00 8.79 C +ATOM 930 O PHE A 116 38.901 17.749 16.318 1.00 8.79 O +ATOM 931 CB PHE A 116 40.714 19.825 17.796 1.00 8.79 C +ATOM 932 CG PHE A 116 40.407 21.179 18.311 1.00 8.79 C +ATOM 933 CD1 PHE A 116 39.189 21.785 17.992 1.00 8.79 C +ATOM 934 CD2 PHE A 116 41.287 21.828 19.171 1.00 8.79 C +ATOM 935 CE1 PHE A 116 38.850 23.025 18.529 1.00 8.79 C +ATOM 936 CE2 PHE A 116 40.955 23.067 19.711 1.00 8.79 C +ATOM 937 CZ PHE A 116 39.734 23.668 19.392 1.00 8.79 C +ATOM 938 N ALA A 117 40.340 16.560 17.555 1.00 0.75 N +ATOM 939 CA ALA A 117 40.268 15.418 16.653 1.00 0.75 C +ATOM 940 C ALA A 117 38.926 14.719 16.852 1.00 0.75 C +ATOM 941 O ALA A 117 38.318 14.207 15.906 1.00 0.75 O +ATOM 942 CB ALA A 117 41.385 14.475 16.941 1.00 0.75 C +ATOM 943 N THR A 118 38.467 14.714 18.098 1.00 3.01 N +ATOM 944 CA THR A 118 37.192 14.105 18.457 1.00 3.01 C +ATOM 945 C THR A 118 36.070 14.962 17.890 1.00 3.01 C +ATOM 946 O THR A 118 35.169 14.443 17.193 1.00 3.01 O +ATOM 947 CB THR A 118 37.059 14.017 19.990 1.00 3.01 C +ATOM 948 OG1 THR A 118 38.126 13.214 20.508 1.00 3.01 O +ATOM 949 CG2 THR A 118 35.741 13.391 20.385 1.00 3.01 C +ATOM 950 N LEU A 119 36.125 16.260 18.183 1.00 0.85 N +ATOM 951 CA LEU A 119 35.141 17.216 17.691 1.00 0.85 C +ATOM 952 C LEU A 119 35.006 17.043 16.174 1.00 0.85 C +ATOM 953 O LEU A 119 33.899 16.961 15.643 1.00 0.85 O +ATOM 954 CB LEU A 119 35.613 18.639 18.016 1.00 0.85 C +ATOM 955 CG LEU A 119 34.595 19.613 18.594 1.00 0.85 C +ATOM 956 CD1 LEU A 119 35.031 21.034 18.280 1.00 0.85 C +ATOM 957 CD2 LEU A 119 33.234 19.327 17.985 1.00 0.85 C +ATOM 958 N GLY A 120 36.149 16.965 15.499 1.00 0.44 N +ATOM 959 CA GLY A 120 36.167 16.817 14.053 1.00 0.44 C +ATOM 960 C GLY A 120 35.584 15.526 13.515 1.00 0.44 C +ATOM 961 O GLY A 120 34.774 15.540 12.590 1.00 0.44 O +ATOM 962 N GLY A 121 36.000 14.401 14.074 1.00 0.00 N +ATOM 963 CA GLY A 121 35.471 13.138 13.606 1.00 0.00 C +ATOM 964 C GLY A 121 33.979 13.019 13.880 1.00 0.00 C +ATOM 965 O GLY A 121 33.221 12.536 13.017 1.00 0.00 O +ATOM 966 N GLU A 122 33.560 13.469 15.072 1.00 4.56 N +ATOM 967 CA GLU A 122 32.159 13.396 15.494 1.00 4.56 C +ATOM 968 C GLU A 122 31.259 14.366 14.732 1.00 4.56 C +ATOM 969 O GLU A 122 30.062 14.091 14.566 1.00 4.56 O +ATOM 970 CB GLU A 122 32.039 13.619 17.007 1.00 4.56 C +ATOM 971 CG GLU A 122 32.225 12.355 17.839 1.00 4.56 C +ATOM 972 CD GLU A 122 31.240 11.244 17.481 1.00 4.56 C +ATOM 973 OE1 GLU A 122 30.049 11.544 17.254 1.00 4.56 O +ATOM 974 OE2 GLU A 122 31.649 10.062 17.443 1.00 4.56 O +ATOM 975 N ILE A 123 31.784 15.502 14.272 1.00 0.11 N +ATOM 976 CA ILE A 123 30.955 16.425 13.494 1.00 0.11 C +ATOM 977 C ILE A 123 30.746 15.817 12.111 1.00 0.11 C +ATOM 978 O ILE A 123 29.715 16.048 11.460 1.00 0.11 O +ATOM 979 CB ILE A 123 31.607 17.816 13.370 1.00 0.11 C +ATOM 980 CG1 ILE A 123 31.367 18.607 14.655 1.00 0.11 C +ATOM 981 CG2 ILE A 123 31.021 18.569 12.173 1.00 0.11 C +ATOM 982 CD1 ILE A 123 32.145 19.891 14.721 1.00 0.11 C +ATOM 983 N ALA A 124 31.730 15.039 11.666 1.00 0.27 N +ATOM 984 CA ALA A 124 31.636 14.352 10.391 1.00 0.27 C +ATOM 985 C ALA A 124 30.582 13.267 10.528 1.00 0.27 C +ATOM 986 O ALA A 124 29.701 13.171 9.693 1.00 0.27 O +ATOM 987 CB ALA A 124 32.968 13.739 10.031 1.00 0.27 C +ATOM 988 N LEU A 125 30.665 12.463 11.589 1.00 0.94 N +ATOM 989 CA LEU A 125 29.704 11.375 11.834 1.00 0.94 C +ATOM 990 C LEU A 125 28.282 11.895 11.884 1.00 0.94 C +ATOM 991 O LEU A 125 27.410 11.354 11.224 1.00 0.94 O +ATOM 992 CB LEU A 125 30.019 10.654 13.155 1.00 0.94 C +ATOM 993 CG LEU A 125 29.030 9.604 13.678 1.00 0.94 C +ATOM 994 CD1 LEU A 125 28.914 8.466 12.670 1.00 0.94 C +ATOM 995 CD2 LEU A 125 29.477 9.092 15.057 1.00 0.94 C +ATOM 996 N TRP A 126 28.041 12.940 12.660 1.00 0.37 N +ATOM 997 CA TRP A 126 26.703 13.453 12.753 1.00 0.37 C +ATOM 998 C TRP A 126 26.290 14.130 11.481 1.00 0.37 C +ATOM 999 O TRP A 126 25.110 14.088 11.143 1.00 0.37 O +ATOM 1000 CB TRP A 126 26.592 14.387 13.941 1.00 0.37 C +ATOM 1001 CG TRP A 126 26.599 13.630 15.210 1.00 0.37 C +ATOM 1002 CD1 TRP A 126 27.573 13.622 16.159 1.00 0.37 C +ATOM 1003 CD2 TRP A 126 25.596 12.721 15.658 1.00 0.37 C +ATOM 1004 NE1 TRP A 126 27.244 12.762 17.176 1.00 0.37 N +ATOM 1005 CE2 TRP A 126 26.032 12.194 16.892 1.00 0.37 C +ATOM 1006 CE3 TRP A 126 24.370 12.297 15.135 1.00 0.37 C +ATOM 1007 CZ2 TRP A 126 25.285 11.263 17.613 1.00 0.37 C +ATOM 1008 CZ3 TRP A 126 23.628 11.375 15.850 1.00 0.37 C +ATOM 1009 CH2 TRP A 126 24.089 10.867 17.078 1.00 0.37 C +ATOM 1010 N SER A 127 27.223 14.749 10.767 1.00 0.00 N +ATOM 1011 CA SER A 127 26.855 15.402 9.517 1.00 0.00 C +ATOM 1012 C SER A 127 26.419 14.344 8.515 1.00 0.00 C +ATOM 1013 O SER A 127 25.696 14.666 7.577 1.00 0.00 O +ATOM 1014 CB SER A 127 28.020 16.218 8.954 1.00 0.00 C +ATOM 1015 OG SER A 127 28.178 17.438 9.655 1.00 0.00 O +ATOM 1016 N LEU A 128 26.842 13.095 8.717 1.00 0.00 N +ATOM 1017 CA LEU A 128 26.466 11.988 7.825 1.00 0.00 C +ATOM 1018 C LEU A 128 25.049 11.524 8.102 1.00 0.00 C +ATOM 1019 O LEU A 128 24.365 11.079 7.187 1.00 0.00 O +ATOM 1020 CB LEU A 128 27.412 10.803 7.991 1.00 0.00 C +ATOM 1021 CG LEU A 128 28.738 10.996 7.270 1.00 0.00 C +ATOM 1022 CD1 LEU A 128 29.651 9.812 7.537 1.00 0.00 C +ATOM 1023 CD2 LEU A 128 28.465 11.159 5.775 1.00 0.00 C +ATOM 1024 N VAL A 129 24.618 11.600 9.359 1.00 6.38 N +ATOM 1025 CA VAL A 129 23.264 11.197 9.709 1.00 6.38 C +ATOM 1026 C VAL A 129 22.305 12.220 9.100 1.00 6.38 C +ATOM 1027 O VAL A 129 21.247 11.831 8.564 1.00 6.38 O +ATOM 1028 CB VAL A 129 23.074 11.126 11.249 1.00 6.38 C +ATOM 1029 CG1 VAL A 129 21.662 10.683 11.568 1.00 6.38 C +ATOM 1030 CG2 VAL A 129 24.064 10.153 11.860 1.00 6.38 C +ATOM 1031 N VAL A 130 22.679 13.504 9.166 1.00 1.63 N +ATOM 1032 CA VAL A 130 21.869 14.585 8.602 1.00 1.63 C +ATOM 1033 C VAL A 130 21.708 14.342 7.099 1.00 1.63 C +ATOM 1034 O VAL A 130 20.589 14.379 6.573 1.00 1.63 O +ATOM 1035 CB VAL A 130 22.531 15.967 8.850 1.00 1.63 C +ATOM 1036 CG1 VAL A 130 21.680 17.080 8.282 1.00 1.63 C +ATOM 1037 CG2 VAL A 130 22.725 16.172 10.335 1.00 1.63 C +ATOM 1038 N LEU A 131 22.815 14.076 6.413 1.00 0.00 N +ATOM 1039 CA LEU A 131 22.770 13.806 4.983 1.00 0.00 C +ATOM 1040 C LEU A 131 21.883 12.582 4.723 1.00 0.00 C +ATOM 1041 O LEU A 131 21.042 12.617 3.826 1.00 0.00 O +ATOM 1042 CB LEU A 131 24.200 13.588 4.455 1.00 0.00 C +ATOM 1043 CG LEU A 131 25.024 14.818 4.033 1.00 0.00 C +ATOM 1044 CD1 LEU A 131 24.694 16.021 4.877 1.00 0.00 C +ATOM 1045 CD2 LEU A 131 26.496 14.493 4.142 1.00 0.00 C +ATOM 1046 N ALA A 132 22.059 11.518 5.505 1.00 0.00 N +ATOM 1047 CA ALA A 132 21.253 10.309 5.345 1.00 0.00 C +ATOM 1048 C ALA A 132 19.795 10.701 5.339 1.00 0.00 C +ATOM 1049 O ALA A 132 19.041 10.240 4.499 1.00 0.00 O +ATOM 1050 CB ALA A 132 21.530 9.334 6.487 1.00 0.00 C +ATOM 1051 N ILE A 133 19.405 11.555 6.274 1.00 0.02 N +ATOM 1052 CA ILE A 133 18.033 12.012 6.355 1.00 0.02 C +ATOM 1053 C ILE A 133 17.693 12.818 5.133 1.00 0.02 C +ATOM 1054 O ILE A 133 16.884 12.388 4.324 1.00 0.02 O +ATOM 1055 CB ILE A 133 17.824 12.883 7.585 1.00 0.02 C +ATOM 1056 CG1 ILE A 133 18.160 12.072 8.835 1.00 0.02 C +ATOM 1057 CG2 ILE A 133 16.412 13.426 7.609 1.00 0.02 C +ATOM 1058 CD1 ILE A 133 17.660 10.630 8.792 1.00 0.02 C +ATOM 1059 N GLU A 134 18.304 13.987 4.999 1.00 0.00 N +ATOM 1060 CA GLU A 134 18.049 14.837 3.853 1.00 0.00 C +ATOM 1061 C GLU A 134 18.027 13.981 2.618 1.00 0.00 C +ATOM 1062 O GLU A 134 17.140 14.106 1.787 1.00 0.00 O +ATOM 1063 CB GLU A 134 19.144 15.895 3.730 1.00 0.00 C +ATOM 1064 CG GLU A 134 18.834 16.994 2.714 1.00 0.00 C +ATOM 1065 CD GLU A 134 19.454 16.766 1.331 1.00 0.00 C +ATOM 1066 OE1 GLU A 134 19.438 15.613 0.837 1.00 0.00 O +ATOM 1067 OE2 GLU A 134 19.943 17.762 0.736 1.00 0.00 O +ATOM 1068 N ARG A 135 18.999 13.092 2.504 1.00 0.00 N +ATOM 1069 CA ARG A 135 19.080 12.224 1.347 1.00 0.00 C +ATOM 1070 C ARG A 135 17.793 11.452 1.208 1.00 0.00 C +ATOM 1071 O ARG A 135 17.230 11.334 0.125 1.00 0.00 O +ATOM 1072 CB ARG A 135 20.240 11.255 1.501 1.00 0.00 C +ATOM 1073 CG ARG A 135 20.580 10.566 0.220 1.00 0.00 C +ATOM 1074 CD ARG A 135 21.352 11.498 -0.715 1.00 0.00 C +ATOM 1075 NE ARG A 135 20.828 12.865 -0.770 1.00 0.00 N +ATOM 1076 CZ ARG A 135 20.351 13.447 -1.869 1.00 0.00 C +ATOM 1077 NH1 ARG A 135 20.314 12.786 -3.023 1.00 0.00 N +ATOM 1078 NH2 ARG A 135 19.929 14.701 -1.819 1.00 0.00 N +ATOM 1079 N TYR A 136 17.327 10.926 2.326 1.00 0.00 N +ATOM 1080 CA TYR A 136 16.115 10.147 2.359 1.00 0.00 C +ATOM 1081 C TYR A 136 14.938 11.005 1.993 1.00 0.00 C +ATOM 1082 O TYR A 136 14.220 10.699 1.059 1.00 0.00 O +ATOM 1083 CB TYR A 136 15.909 9.599 3.752 1.00 0.00 C +ATOM 1084 CG TYR A 136 14.685 8.763 3.837 1.00 0.00 C +ATOM 1085 CD1 TYR A 136 14.676 7.473 3.309 1.00 0.00 C +ATOM 1086 CD2 TYR A 136 13.512 9.268 4.393 1.00 0.00 C +ATOM 1087 CE1 TYR A 136 13.532 6.702 3.327 1.00 0.00 C +ATOM 1088 CE2 TYR A 136 12.357 8.512 4.415 1.00 0.00 C +ATOM 1089 CZ TYR A 136 12.377 7.225 3.878 1.00 0.00 C +ATOM 1090 OH TYR A 136 11.250 6.447 3.875 1.00 0.00 O +ATOM 1091 N VAL A 137 14.740 12.083 2.737 1.00 1.34 N +ATOM 1092 CA VAL A 137 13.622 12.979 2.503 1.00 1.34 C +ATOM 1093 C VAL A 137 13.493 13.369 1.049 1.00 1.34 C +ATOM 1094 O VAL A 137 12.384 13.562 0.586 1.00 1.34 O +ATOM 1095 CB VAL A 137 13.742 14.250 3.363 1.00 1.34 C +ATOM 1096 CG1 VAL A 137 12.711 15.271 2.956 1.00 1.34 C +ATOM 1097 CG2 VAL A 137 13.538 13.896 4.799 1.00 1.34 C +ATOM 1098 N VAL A 138 14.588 13.490 0.312 1.00 0.00 N +ATOM 1099 CA VAL A 138 14.447 13.889 -1.083 1.00 0.00 C +ATOM 1100 C VAL A 138 14.168 12.695 -1.956 1.00 0.00 C +ATOM 1101 O VAL A 138 13.284 12.769 -2.800 1.00 0.00 O +ATOM 1102 CB VAL A 138 15.698 14.610 -1.604 1.00 0.00 C +ATOM 1103 CG1 VAL A 138 15.964 15.854 -0.772 1.00 0.00 C +ATOM 1104 CG2 VAL A 138 16.888 13.673 -1.561 1.00 0.00 C +ATOM 1105 N VAL A 139 14.898 11.600 -1.757 1.00 0.00 N +ATOM 1106 CA VAL A 139 14.707 10.400 -2.568 1.00 0.00 C +ATOM 1107 C VAL A 139 13.369 9.757 -2.271 1.00 0.00 C +ATOM 1108 O VAL A 139 12.459 9.863 -3.085 1.00 0.00 O +ATOM 1109 CB VAL A 139 15.839 9.378 -2.339 1.00 0.00 C +ATOM 1110 CG1 VAL A 139 15.461 8.036 -2.925 1.00 0.00 C +ATOM 1111 CG2 VAL A 139 17.112 9.882 -2.990 1.00 0.00 C +ATOM 1112 N CYS A 140 13.233 9.102 -1.123 1.00 0.19 N +ATOM 1113 CA CYS A 140 11.970 8.459 -0.776 1.00 0.19 C +ATOM 1114 C CYS A 140 10.884 9.504 -0.448 1.00 0.19 C +ATOM 1115 O CYS A 140 9.773 9.141 -0.060 1.00 0.19 O +ATOM 1116 CB CYS A 140 12.198 7.492 0.391 1.00 0.19 C +ATOM 1117 SG CYS A 140 13.338 6.132 -0.026 1.00 0.19 S +ATOM 1118 N LYS A 141 11.217 10.783 -0.639 1.00 0.05 N +ATOM 1119 CA LYS A 141 10.338 11.948 -0.408 1.00 0.05 C +ATOM 1120 C LYS A 141 9.090 11.656 0.453 1.00 0.05 C +ATOM 1121 O LYS A 141 8.046 11.291 -0.096 1.00 0.05 O +ATOM 1122 CB LYS A 141 9.917 12.551 -1.760 1.00 0.05 C +ATOM 1123 CG LYS A 141 9.454 13.998 -1.680 1.00 0.05 C +ATOM 1124 CD LYS A 141 9.399 14.627 -3.055 1.00 0.05 C +ATOM 1125 CE LYS A 141 9.160 16.122 -2.961 1.00 0.05 C +ATOM 1126 NZ LYS A 141 9.227 16.777 -4.300 1.00 0.05 N +ATOM 1127 N PRO A 142 9.183 11.838 1.798 1.00 0.00 N +ATOM 1128 CA PRO A 142 8.106 11.619 2.785 1.00 0.00 C +ATOM 1129 C PRO A 142 6.910 12.563 2.672 1.00 0.00 C +ATOM 1130 O PRO A 142 5.779 12.140 2.923 1.00 0.00 O +ATOM 1131 CB PRO A 142 8.826 11.778 4.127 1.00 0.00 C +ATOM 1132 CG PRO A 142 10.216 11.326 3.823 1.00 0.00 C +ATOM 1133 CD PRO A 142 10.473 12.010 2.495 1.00 0.00 C +ATOM 1134 N MET A 143 7.156 13.827 2.331 1.00 0.22 N +ATOM 1135 CA MET A 143 6.079 14.805 2.170 1.00 0.22 C +ATOM 1136 C MET A 143 5.697 14.887 0.718 1.00 0.22 C +ATOM 1137 O MET A 143 6.450 14.442 -0.150 1.00 0.22 O +ATOM 1138 CB MET A 143 6.510 16.196 2.636 1.00 0.22 C +ATOM 1139 CG MET A 143 6.479 16.399 4.132 1.00 0.22 C +ATOM 1140 SD MET A 143 7.517 15.222 4.983 1.00 0.22 S +ATOM 1141 CE MET A 143 6.259 14.100 5.656 1.00 0.22 C +ATOM 1142 N SER A 144 4.534 15.462 0.447 1.00 0.00 N +ATOM 1143 CA SER A 144 4.069 15.587 -0.922 1.00 0.00 C +ATOM 1144 C SER A 144 4.270 17.008 -1.397 1.00 0.00 C +ATOM 1145 O SER A 144 3.679 17.408 -2.405 1.00 0.00 O +ATOM 1146 CB SER A 144 2.591 15.190 -1.013 1.00 0.00 C +ATOM 1147 OG SER A 144 2.413 13.816 -0.689 1.00 0.00 O +ATOM 1148 N ASN A 145 5.112 17.761 -0.693 1.00 0.12 N +ATOM 1149 CA ASN A 145 5.369 19.151 -1.060 1.00 0.12 C +ATOM 1150 C ASN A 145 6.400 19.775 -0.136 1.00 0.12 C +ATOM 1151 O ASN A 145 6.288 20.967 0.175 1.00 0.12 O +ATOM 1152 CB ASN A 145 4.062 19.954 -0.981 1.00 0.12 C +ATOM 1153 CG ASN A 145 3.403 19.856 0.390 1.00 0.12 C +ATOM 1154 OD1 ASN A 145 3.073 18.758 0.861 1.00 0.12 O +ATOM 1155 ND2 ASN A 145 3.213 21.003 1.040 1.00 0.12 N +ATOM 1156 N PHE A 146 7.404 19.004 0.288 1.00 0.01 N +ATOM 1157 CA PHE A 146 8.420 19.536 1.197 1.00 0.01 C +ATOM 1158 C PHE A 146 9.783 19.747 0.532 1.00 0.01 C +ATOM 1159 O PHE A 146 10.156 19.021 -0.401 1.00 0.01 O +ATOM 1160 CB PHE A 146 8.599 18.618 2.404 1.00 0.01 C +ATOM 1161 CG PHE A 146 9.640 19.102 3.374 1.00 0.01 C +ATOM 1162 CD1 PHE A 146 9.388 20.199 4.197 1.00 0.01 C +ATOM 1163 CD2 PHE A 146 10.892 18.488 3.437 1.00 0.01 C +ATOM 1164 CE1 PHE A 146 10.369 20.676 5.069 1.00 0.01 C +ATOM 1165 CE2 PHE A 146 11.879 18.958 4.302 1.00 0.01 C +ATOM 1166 CZ PHE A 146 11.616 20.053 5.120 1.00 0.01 C +ATOM 1167 N ARG A 147 10.523 20.733 1.054 1.00 0.25 N +ATOM 1168 CA ARG A 147 11.858 21.103 0.570 1.00 0.25 C +ATOM 1169 C ARG A 147 12.668 21.744 1.705 1.00 0.25 C +ATOM 1170 O ARG A 147 12.159 22.633 2.415 1.00 0.25 O +ATOM 1171 CB ARG A 147 11.741 22.102 -0.585 1.00 0.25 C +ATOM 1172 CG ARG A 147 13.067 22.497 -1.224 1.00 0.25 C +ATOM 1173 CD ARG A 147 12.894 23.730 -2.112 1.00 0.25 C +ATOM 1174 NE ARG A 147 12.633 24.944 -1.335 1.00 0.25 N +ATOM 1175 CZ ARG A 147 12.365 26.144 -1.858 1.00 0.25 C +ATOM 1176 NH1 ARG A 147 12.314 26.312 -3.177 1.00 0.25 N +ATOM 1177 NH2 ARG A 147 12.157 27.188 -1.059 1.00 0.25 N +ATOM 1178 N PHE A 148 13.918 21.305 1.859 1.00 0.00 N +ATOM 1179 CA PHE A 148 14.805 21.820 2.896 1.00 0.00 C +ATOM 1180 C PHE A 148 15.227 23.241 2.602 1.00 0.00 C +ATOM 1181 O PHE A 148 15.880 23.485 1.595 1.00 0.00 O +ATOM 1182 CB PHE A 148 16.050 20.945 3.000 1.00 0.00 C +ATOM 1183 CG PHE A 148 15.789 19.603 3.589 1.00 0.00 C +ATOM 1184 CD1 PHE A 148 15.522 19.472 4.941 1.00 0.00 C +ATOM 1185 CD2 PHE A 148 15.786 18.468 2.793 1.00 0.00 C +ATOM 1186 CE1 PHE A 148 15.252 18.229 5.491 1.00 0.00 C +ATOM 1187 CE2 PHE A 148 15.517 17.218 3.338 1.00 0.00 C +ATOM 1188 CZ PHE A 148 15.249 17.100 4.686 1.00 0.00 C +ATOM 1189 N GLY A 149 14.850 24.177 3.466 1.00 0.22 N +ATOM 1190 CA GLY A 149 15.264 25.550 3.266 1.00 0.22 C +ATOM 1191 C GLY A 149 16.660 25.675 3.851 1.00 0.22 C +ATOM 1192 O GLY A 149 17.214 24.699 4.361 1.00 0.22 O +ATOM 1193 N GLU A 150 17.245 26.863 3.777 1.00 0.11 N +ATOM 1194 CA GLU A 150 18.574 27.074 4.328 1.00 0.11 C +ATOM 1195 C GLU A 150 18.506 26.996 5.828 1.00 0.11 C +ATOM 1196 O GLU A 150 19.483 26.681 6.503 1.00 0.11 O +ATOM 1197 CB GLU A 150 19.101 28.426 3.878 1.00 0.11 C +ATOM 1198 CG GLU A 150 19.810 28.329 2.553 1.00 0.11 C +ATOM 1199 CD GLU A 150 19.896 29.647 1.844 1.00 0.11 C +ATOM 1200 OE1 GLU A 150 20.184 30.670 2.500 1.00 0.11 O +ATOM 1201 OE2 GLU A 150 19.680 29.652 0.616 1.00 0.11 O +ATOM 1202 N ASN A 151 17.328 27.283 6.347 1.00 0.08 N +ATOM 1203 CA ASN A 151 17.094 27.227 7.770 1.00 0.08 C +ATOM 1204 C ASN A 151 17.369 25.808 8.240 1.00 0.08 C +ATOM 1205 O ASN A 151 18.169 25.611 9.156 1.00 0.08 O +ATOM 1206 CB ASN A 151 15.647 27.658 8.050 1.00 0.08 C +ATOM 1207 CG ASN A 151 14.642 27.002 7.103 1.00 0.08 C +ATOM 1208 OD1 ASN A 151 14.849 26.943 5.886 1.00 0.08 O +ATOM 1209 ND2 ASN A 151 13.535 26.521 7.663 1.00 0.08 N +ATOM 1210 N HIS A 152 16.736 24.831 7.595 1.00 0.00 N +ATOM 1211 CA HIS A 152 16.915 23.420 7.940 1.00 0.00 C +ATOM 1212 C HIS A 152 18.384 23.089 7.922 1.00 0.00 C +ATOM 1213 O HIS A 152 18.886 22.516 8.875 1.00 0.00 O +ATOM 1214 CB HIS A 152 16.183 22.521 6.936 1.00 0.00 C +ATOM 1215 CG HIS A 152 14.735 22.867 6.753 1.00 0.00 C +ATOM 1216 ND1 HIS A 152 13.981 22.392 5.699 1.00 0.00 N +ATOM 1217 CD2 HIS A 152 13.908 23.661 7.477 1.00 0.00 C +ATOM 1218 CE1 HIS A 152 12.755 22.883 5.779 1.00 0.00 C +ATOM 1219 NE2 HIS A 152 12.685 23.656 6.849 1.00 0.00 N +ATOM 1220 N ALA A 153 19.069 23.452 6.843 1.00 6.84 N +ATOM 1221 CA ALA A 153 20.493 23.187 6.718 1.00 6.84 C +ATOM 1222 C ALA A 153 21.223 23.716 7.934 1.00 6.84 C +ATOM 1223 O ALA A 153 22.113 23.061 8.474 1.00 6.84 O +ATOM 1224 CB ALA A 153 21.022 23.839 5.462 1.00 6.84 C +ATOM 1225 N ILE A 154 20.842 24.902 8.368 1.00 0.02 N +ATOM 1226 CA ILE A 154 21.464 25.505 9.521 1.00 0.02 C +ATOM 1227 C ILE A 154 21.033 24.755 10.761 1.00 0.02 C +ATOM 1228 O ILE A 154 21.677 24.812 11.791 1.00 0.02 O +ATOM 1229 CB ILE A 154 21.075 26.969 9.586 1.00 0.02 C +ATOM 1230 CG1 ILE A 154 21.396 27.614 8.242 1.00 0.02 C +ATOM 1231 CG2 ILE A 154 21.847 27.661 10.670 1.00 0.02 C +ATOM 1232 CD1 ILE A 154 20.961 29.022 8.114 1.00 0.02 C +ATOM 1233 N MET A 155 19.935 24.032 10.652 1.00 0.64 N +ATOM 1234 CA MET A 155 19.456 23.248 11.771 1.00 0.64 C +ATOM 1235 C MET A 155 20.309 22.042 11.889 1.00 0.64 C +ATOM 1236 O MET A 155 20.801 21.744 12.961 1.00 0.64 O +ATOM 1237 CB MET A 155 18.011 22.818 11.546 1.00 0.64 C +ATOM 1238 CG MET A 155 17.064 23.980 11.540 1.00 0.64 C +ATOM 1239 SD MET A 155 17.322 24.921 13.062 1.00 0.64 S +ATOM 1240 CE MET A 155 18.672 26.152 12.569 1.00 0.64 C +ATOM 1241 N GLY A 156 20.474 21.343 10.776 1.00 0.00 N +ATOM 1242 CA GLY A 156 21.287 20.154 10.771 1.00 0.00 C +ATOM 1243 C GLY A 156 22.675 20.530 11.221 1.00 0.00 C +ATOM 1244 O GLY A 156 23.258 19.860 12.065 1.00 0.00 O +ATOM 1245 N VAL A 157 23.202 21.621 10.682 1.00 0.15 N +ATOM 1246 CA VAL A 157 24.540 22.029 11.061 1.00 0.15 C +ATOM 1247 C VAL A 157 24.626 22.297 12.537 1.00 0.15 C +ATOM 1248 O VAL A 157 25.591 21.899 13.165 1.00 0.15 O +ATOM 1249 CB VAL A 157 24.988 23.262 10.291 1.00 0.15 C +ATOM 1250 CG1 VAL A 157 26.203 23.881 10.962 1.00 0.15 C +ATOM 1251 CG2 VAL A 157 25.320 22.861 8.867 1.00 0.15 C +ATOM 1252 N ALA A 158 23.628 22.962 13.096 1.00 0.60 N +ATOM 1253 CA ALA A 158 23.628 23.267 14.526 1.00 0.60 C +ATOM 1254 C ALA A 158 23.559 21.974 15.325 1.00 0.60 C +ATOM 1255 O ALA A 158 24.129 21.864 16.406 1.00 0.60 O +ATOM 1256 CB ALA A 158 22.431 24.150 14.858 1.00 0.60 C +ATOM 1257 N PHE A 159 22.855 21.000 14.772 1.00 4.06 N +ATOM 1258 CA PHE A 159 22.656 19.711 15.406 1.00 4.06 C +ATOM 1259 C PHE A 159 23.954 18.937 15.488 1.00 4.06 C +ATOM 1260 O PHE A 159 24.227 18.290 16.505 1.00 4.06 O +ATOM 1261 CB PHE A 159 21.611 18.930 14.602 1.00 4.06 C +ATOM 1262 CG PHE A 159 21.635 17.445 14.832 1.00 4.06 C +ATOM 1263 CD1 PHE A 159 21.179 16.898 16.018 1.00 4.06 C +ATOM 1264 CD2 PHE A 159 22.106 16.588 13.846 1.00 4.06 C +ATOM 1265 CE1 PHE A 159 21.189 15.515 16.218 1.00 4.06 C +ATOM 1266 CE2 PHE A 159 22.119 15.206 14.038 1.00 4.06 C +ATOM 1267 CZ PHE A 159 21.659 14.672 15.226 1.00 4.06 C +ATOM 1268 N THR A 160 24.752 18.990 14.430 1.00 0.00 N +ATOM 1269 CA THR A 160 26.001 18.252 14.420 1.00 0.00 C +ATOM 1270 C THR A 160 26.926 18.764 15.504 1.00 0.00 C +ATOM 1271 O THR A 160 27.655 17.963 16.086 1.00 0.00 O +ATOM 1272 CB THR A 160 26.708 18.343 13.052 1.00 0.00 C +ATOM 1273 OG1 THR A 160 27.057 19.704 12.777 1.00 0.00 O +ATOM 1274 CG2 THR A 160 25.810 17.821 11.955 1.00 0.00 C +ATOM 1275 N TRP A 161 26.898 20.068 15.790 1.00 0.00 N +ATOM 1276 CA TRP A 161 27.763 20.645 16.824 1.00 0.00 C +ATOM 1277 C TRP A 161 27.278 20.353 18.221 1.00 0.00 C +ATOM 1278 O TRP A 161 28.080 20.335 19.149 1.00 0.00 O +ATOM 1279 CB TRP A 161 27.866 22.144 16.679 1.00 0.00 C +ATOM 1280 CG TRP A 161 28.771 22.538 15.627 1.00 0.00 C +ATOM 1281 CD1 TRP A 161 28.479 22.671 14.301 1.00 0.00 C +ATOM 1282 CD2 TRP A 161 30.154 22.860 15.778 1.00 0.00 C +ATOM 1283 NE1 TRP A 161 29.602 23.066 13.613 1.00 0.00 N +ATOM 1284 CE2 TRP A 161 30.647 23.189 14.495 1.00 0.00 C +ATOM 1285 CE3 TRP A 161 31.029 22.902 16.872 1.00 0.00 C +ATOM 1286 CZ2 TRP A 161 31.988 23.563 14.274 1.00 0.00 C +ATOM 1287 CZ3 TRP A 161 32.364 23.275 16.654 1.00 0.00 C +ATOM 1288 CH2 TRP A 161 32.827 23.601 15.360 1.00 0.00 C +ATOM 1289 N VAL A 162 25.979 20.166 18.402 1.00 1.16 N +ATOM 1290 CA VAL A 162 25.492 19.853 19.726 1.00 1.16 C +ATOM 1291 C VAL A 162 25.884 18.429 20.015 1.00 1.16 C +ATOM 1292 O VAL A 162 26.432 18.137 21.073 1.00 1.16 O +ATOM 1293 CB VAL A 162 23.982 19.988 19.786 1.00 1.16 C +ATOM 1294 CG1 VAL A 162 23.489 19.628 21.155 1.00 1.16 C +ATOM 1295 CG2 VAL A 162 23.592 21.404 19.422 1.00 1.16 C +ATOM 1296 N MET A 163 25.637 17.551 19.049 1.00 0.02 N +ATOM 1297 CA MET A 163 25.950 16.138 19.205 1.00 0.02 C +ATOM 1298 C MET A 163 27.428 15.904 19.382 1.00 0.02 C +ATOM 1299 O MET A 163 27.811 15.115 20.232 1.00 0.02 O +ATOM 1300 CB MET A 163 25.460 15.351 17.995 1.00 0.02 C +ATOM 1301 CG MET A 163 23.969 15.433 17.789 1.00 0.02 C +ATOM 1302 SD MET A 163 23.114 15.106 19.346 1.00 0.02 S +ATOM 1303 CE MET A 163 23.521 13.367 19.596 1.00 0.02 C +ATOM 1304 N ALA A 164 28.248 16.583 18.587 1.00 2.03 N +ATOM 1305 CA ALA A 164 29.692 16.415 18.646 1.00 2.03 C +ATOM 1306 C ALA A 164 30.241 16.946 19.940 1.00 2.03 C +ATOM 1307 O ALA A 164 31.168 16.350 20.496 1.00 2.03 O +ATOM 1308 CB ALA A 164 30.339 17.122 17.478 1.00 2.03 C +ATOM 1309 N LEU A 165 29.694 18.064 20.412 1.00 0.72 N +ATOM 1310 CA LEU A 165 30.136 18.676 21.668 1.00 0.72 C +ATOM 1311 C LEU A 165 29.749 17.765 22.823 1.00 0.72 C +ATOM 1312 O LEU A 165 30.493 17.645 23.806 1.00 0.72 O +ATOM 1313 CB LEU A 165 29.475 20.054 21.867 1.00 0.72 C +ATOM 1314 CG LEU A 165 30.150 21.363 21.437 1.00 0.72 C +ATOM 1315 CD1 LEU A 165 31.448 21.542 22.180 1.00 0.72 C +ATOM 1316 CD2 LEU A 165 30.410 21.358 19.975 1.00 0.72 C +ATOM 1317 N ALA A 166 28.587 17.131 22.696 1.00 0.02 N +ATOM 1318 CA ALA A 166 28.072 16.231 23.716 1.00 0.02 C +ATOM 1319 C ALA A 166 29.048 15.103 23.951 1.00 0.02 C +ATOM 1320 O ALA A 166 29.078 14.491 25.009 1.00 0.02 O +ATOM 1321 CB ALA A 166 26.734 15.670 23.267 1.00 0.02 C +ATOM 1322 N CYS A 167 29.869 14.832 22.961 1.00 7.66 N +ATOM 1323 CA CYS A 167 30.798 13.745 23.079 1.00 7.66 C +ATOM 1324 C CYS A 167 32.197 14.249 23.365 1.00 7.66 C +ATOM 1325 O CYS A 167 32.901 13.674 24.187 1.00 7.66 O +ATOM 1326 CB CYS A 167 30.758 12.958 21.773 1.00 7.66 C +ATOM 1327 SG CYS A 167 31.891 11.577 21.692 1.00 7.66 S +ATOM 1328 N ALA A 168 32.589 15.341 22.728 1.00 0.67 N +ATOM 1329 CA ALA A 168 33.949 15.838 22.878 1.00 0.67 C +ATOM 1330 C ALA A 168 34.193 16.692 24.106 1.00 0.67 C +ATOM 1331 O ALA A 168 35.280 16.618 24.685 1.00 0.67 O +ATOM 1332 CB ALA A 168 34.348 16.603 21.612 1.00 0.67 C +ATOM 1333 N ALA A 169 33.218 17.488 24.515 1.00 0.14 N +ATOM 1334 CA ALA A 169 33.419 18.382 25.646 1.00 0.14 C +ATOM 1335 C ALA A 169 33.424 17.693 27.039 1.00 0.14 C +ATOM 1336 O ALA A 169 34.183 18.121 27.931 1.00 0.14 O +ATOM 1337 CB ALA A 169 32.379 19.490 25.591 1.00 0.14 C +ATOM 1338 N PRO A 170 32.608 16.640 27.251 1.00 1.24 N +ATOM 1339 CA PRO A 170 32.605 15.991 28.569 1.00 1.24 C +ATOM 1340 C PRO A 170 33.964 15.691 29.159 1.00 1.24 C +ATOM 1341 O PRO A 170 34.200 15.999 30.303 1.00 1.24 O +ATOM 1342 CB PRO A 170 31.797 14.721 28.336 1.00 1.24 C +ATOM 1343 CG PRO A 170 30.870 15.102 27.234 1.00 1.24 C +ATOM 1344 CD PRO A 170 31.735 15.921 26.307 1.00 1.24 C +ATOM 1345 N PRO A 171 34.875 15.077 28.393 1.00 0.00 N +ATOM 1346 CA PRO A 171 36.227 14.744 28.884 1.00 0.00 C +ATOM 1347 C PRO A 171 37.085 15.909 29.411 1.00 0.00 C +ATOM 1348 O PRO A 171 38.118 15.684 30.074 1.00 0.00 O +ATOM 1349 CB PRO A 171 36.868 14.056 27.676 1.00 0.00 C +ATOM 1350 CG PRO A 171 35.684 13.389 26.997 1.00 0.00 C +ATOM 1351 CD PRO A 171 34.636 14.475 27.065 1.00 0.00 C +ATOM 1352 N LEU A 172 36.662 17.136 29.119 1.00 0.14 N +ATOM 1353 CA LEU A 172 37.382 18.342 29.549 1.00 0.14 C +ATOM 1354 C LEU A 172 36.850 18.819 30.889 1.00 0.14 C +ATOM 1355 O LEU A 172 37.453 19.715 31.512 1.00 0.14 O +ATOM 1356 CB LEU A 172 37.164 19.470 28.543 1.00 0.14 C +ATOM 1357 CG LEU A 172 37.552 19.222 27.102 1.00 0.14 C +ATOM 1358 CD1 LEU A 172 37.045 20.367 26.264 1.00 0.14 C +ATOM 1359 CD2 LEU A 172 39.041 19.077 26.993 1.00 0.14 C +ATOM 1360 N VAL A 173 35.746 18.219 31.337 1.00 0.23 N +ATOM 1361 CA VAL A 173 35.089 18.649 32.573 1.00 0.23 C +ATOM 1362 C VAL A 173 34.743 17.517 33.555 1.00 0.23 C +ATOM 1363 O VAL A 173 33.668 17.567 34.176 1.00 0.23 O +ATOM 1364 CB VAL A 173 33.807 19.434 32.211 1.00 0.23 C +ATOM 1365 CG1 VAL A 173 34.182 20.614 31.359 1.00 0.23 C +ATOM 1366 CG2 VAL A 173 32.823 18.536 31.452 1.00 0.23 C +ATOM 1367 N GLY A 174 35.602 16.508 33.693 1.00 0.00 N +ATOM 1368 CA GLY A 174 35.317 15.464 34.661 1.00 0.00 C +ATOM 1369 C GLY A 174 34.663 14.163 34.257 1.00 0.00 C +ATOM 1370 O GLY A 174 34.508 13.280 35.113 1.00 0.00 O +ATOM 1371 N TRP A 175 34.237 14.023 33.008 1.00 0.00 N +ATOM 1372 CA TRP A 175 33.659 12.754 32.604 1.00 0.00 C +ATOM 1373 C TRP A 175 34.600 12.145 31.618 1.00 0.00 C +ATOM 1374 O TRP A 175 34.651 12.595 30.477 1.00 0.00 O +ATOM 1375 CB TRP A 175 32.287 12.910 31.975 1.00 0.00 C +ATOM 1376 CG TRP A 175 31.582 11.586 31.932 1.00 0.00 C +ATOM 1377 CD1 TRP A 175 31.874 10.486 32.688 1.00 0.00 C +ATOM 1378 CD2 TRP A 175 30.448 11.232 31.132 1.00 0.00 C +ATOM 1379 NE1 TRP A 175 30.993 9.471 32.410 1.00 0.00 N +ATOM 1380 CE2 TRP A 175 30.107 9.902 31.460 1.00 0.00 C +ATOM 1381 CE3 TRP A 175 29.689 11.909 30.171 1.00 0.00 C +ATOM 1382 CZ2 TRP A 175 29.037 9.235 30.862 1.00 0.00 C +ATOM 1383 CZ3 TRP A 175 28.632 11.248 29.577 1.00 0.00 C +ATOM 1384 CH2 TRP A 175 28.313 9.922 29.925 1.00 0.00 C +ATOM 1385 N SER A 176 35.311 11.100 32.053 1.00 0.00 N +ATOM 1386 CA SER A 176 36.347 10.465 31.255 1.00 0.00 C +ATOM 1387 C SER A 176 37.414 11.519 31.147 1.00 0.00 C +ATOM 1388 O SER A 176 37.366 12.483 31.914 1.00 0.00 O +ATOM 1389 CB SER A 176 35.859 10.079 29.863 1.00 0.00 C +ATOM 1390 OG SER A 176 36.951 9.609 29.076 1.00 0.00 O +ATOM 1391 N ARG A 177 38.350 11.384 30.216 1.00 0.00 N +ATOM 1392 CA ARG A 177 39.414 12.381 30.079 1.00 0.00 C +ATOM 1393 C ARG A 177 40.251 12.049 28.864 1.00 0.00 C +ATOM 1394 O ARG A 177 40.140 10.938 28.349 1.00 0.00 O +ATOM 1395 CB ARG A 177 40.310 12.381 31.329 1.00 0.00 C +ATOM 1396 CG ARG A 177 40.951 11.026 31.600 1.00 0.00 C +ATOM 1397 CD ARG A 177 41.836 10.996 32.834 1.00 0.00 C +ATOM 1398 NE ARG A 177 42.356 9.645 33.055 1.00 0.00 N +ATOM 1399 CZ ARG A 177 43.162 9.286 34.057 1.00 0.00 C +ATOM 1400 NH1 ARG A 177 43.560 10.179 34.963 1.00 0.00 N +ATOM 1401 NH2 ARG A 177 43.580 8.022 34.154 1.00 0.00 N +ATOM 1402 N TYR A 178 41.059 13.002 28.393 1.00 0.89 N +ATOM 1403 CA TYR A 178 41.936 12.759 27.251 1.00 0.89 C +ATOM 1404 C TYR A 178 43.287 12.313 27.807 1.00 0.89 C +ATOM 1405 O TYR A 178 43.781 12.855 28.804 1.00 0.89 O +ATOM 1406 CB TYR A 178 42.065 14.015 26.366 1.00 0.89 C +ATOM 1407 CG TYR A 178 40.809 14.338 25.570 1.00 0.89 C +ATOM 1408 CD1 TYR A 178 40.375 13.501 24.541 1.00 0.89 C +ATOM 1409 CD2 TYR A 178 40.020 15.446 25.894 1.00 0.89 C +ATOM 1410 CE1 TYR A 178 39.187 13.751 23.859 1.00 0.89 C +ATOM 1411 CE2 TYR A 178 38.819 15.710 25.215 1.00 0.89 C +ATOM 1412 CZ TYR A 178 38.410 14.855 24.202 1.00 0.89 C +ATOM 1413 OH TYR A 178 37.214 15.094 23.557 1.00 0.89 O +ATOM 1414 N ILE A 179 43.876 11.322 27.155 1.00 0.05 N +ATOM 1415 CA ILE A 179 45.117 10.728 27.610 1.00 0.05 C +ATOM 1416 C ILE A 179 45.941 10.359 26.375 1.00 0.05 C +ATOM 1417 O ILE A 179 45.396 9.942 25.361 1.00 0.05 O +ATOM 1418 CB ILE A 179 44.756 9.481 28.483 1.00 0.05 C +ATOM 1419 CG1 ILE A 179 45.918 9.041 29.356 1.00 0.05 C +ATOM 1420 CG2 ILE A 179 44.303 8.329 27.600 1.00 0.05 C +ATOM 1421 CD1 ILE A 179 45.514 7.891 30.327 1.00 0.05 C +ATOM 1422 N PRO A 180 47.263 10.535 26.433 1.00 0.00 N +ATOM 1423 CA PRO A 180 48.078 10.194 25.260 1.00 0.00 C +ATOM 1424 C PRO A 180 48.011 8.711 24.827 1.00 0.00 C +ATOM 1425 O PRO A 180 47.844 7.862 25.669 1.00 0.00 O +ATOM 1426 CB PRO A 180 49.465 10.674 25.680 1.00 0.00 C +ATOM 1427 CG PRO A 180 49.392 10.686 27.212 1.00 0.00 C +ATOM 1428 CD PRO A 180 48.056 11.187 27.490 1.00 0.00 C +ATOM 1429 N GLU A 181 48.138 8.417 23.528 1.00 2.88 N +ATOM 1430 CA GLU A 181 48.053 7.029 23.009 1.00 2.88 C +ATOM 1431 C GLU A 181 49.204 6.657 22.044 1.00 2.88 C +ATOM 1432 O GLU A 181 49.820 7.538 21.435 1.00 2.88 O +ATOM 1433 CB GLU A 181 46.744 6.806 22.239 1.00 2.88 C +ATOM 1434 CG GLU A 181 45.458 7.265 22.882 1.00 2.88 C +ATOM 1435 CD GLU A 181 44.271 6.967 21.995 1.00 2.88 C +ATOM 1436 OE1 GLU A 181 43.873 5.794 21.903 1.00 2.88 O +ATOM 1437 OE2 GLU A 181 43.746 7.899 21.363 1.00 2.88 O +ATOM 1438 N GLY A 182 49.441 5.350 21.874 1.00 0.00 N +ATOM 1439 CA GLY A 182 50.482 4.889 20.977 1.00 0.00 C +ATOM 1440 C GLY A 182 51.850 5.364 21.407 1.00 0.00 C +ATOM 1441 O GLY A 182 52.271 5.087 22.520 1.00 0.00 O +ATOM 1442 N MET A 183 52.549 6.084 20.533 1.00 0.09 N +ATOM 1443 CA MET A 183 53.877 6.600 20.884 1.00 0.09 C +ATOM 1444 C MET A 183 53.762 7.802 21.808 1.00 0.09 C +ATOM 1445 O MET A 183 54.766 8.469 22.090 1.00 0.09 O +ATOM 1446 CB MET A 183 54.665 6.961 19.625 1.00 0.09 C +ATOM 1447 CG MET A 183 55.354 5.747 19.014 1.00 0.09 C +ATOM 1448 SD MET A 183 55.964 6.014 17.365 1.00 0.09 S +ATOM 1449 CE MET A 183 54.817 5.069 16.464 1.00 0.09 C +ATOM 1450 N GLN A 184 52.531 8.064 22.252 1.00 2.41 N +ATOM 1451 CA GLN A 184 52.197 9.141 23.179 1.00 2.41 C +ATOM 1452 C GLN A 184 52.287 10.527 22.557 1.00 2.41 C +ATOM 1453 O GLN A 184 52.568 11.477 23.273 1.00 2.41 O +ATOM 1454 CB GLN A 184 53.107 9.042 24.407 1.00 2.41 C +ATOM 1455 CG GLN A 184 53.196 7.626 25.021 1.00 2.41 C +ATOM 1456 CD GLN A 184 51.930 7.198 25.732 1.00 2.41 C +ATOM 1457 OE1 GLN A 184 51.589 7.724 26.789 1.00 2.41 O +ATOM 1458 NE2 GLN A 184 51.226 6.239 25.151 1.00 2.41 N +ATOM 1459 N CYS A 185 52.028 10.654 21.256 1.00 0.02 N +ATOM 1460 CA CYS A 185 52.097 11.948 20.595 1.00 0.02 C +ATOM 1461 C CYS A 185 50.740 12.400 20.162 1.00 0.02 C +ATOM 1462 O CYS A 185 50.600 13.481 19.574 1.00 0.02 O +ATOM 1463 CB CYS A 185 53.061 11.874 19.429 1.00 0.02 C +ATOM 1464 SG CYS A 185 54.756 11.764 20.042 1.00 0.02 S +ATOM 1465 N SER A 186 49.739 11.569 20.459 1.00 0.17 N +ATOM 1466 CA SER A 186 48.334 11.856 20.169 1.00 0.17 C +ATOM 1467 C SER A 186 47.545 11.636 21.453 1.00 0.17 C +ATOM 1468 O SER A 186 48.055 11.015 22.393 1.00 0.17 O +ATOM 1469 CB SER A 186 47.786 10.961 19.033 1.00 0.17 C +ATOM 1470 OG SER A 186 47.746 9.581 19.361 1.00 0.17 O +ATOM 1471 N CYS A 187 46.323 12.153 21.511 1.00 0.00 N +ATOM 1472 CA CYS A 187 45.500 11.992 22.704 1.00 0.00 C +ATOM 1473 C CYS A 187 44.072 11.598 22.366 1.00 0.00 C +ATOM 1474 O CYS A 187 43.460 12.189 21.477 1.00 0.00 O +ATOM 1475 CB CYS A 187 45.531 13.284 23.537 1.00 0.00 C +ATOM 1476 SG CYS A 187 46.922 13.230 24.703 1.00 0.00 S +ATOM 1477 N GLY A 188 43.555 10.598 23.075 1.00 0.87 N +ATOM 1478 CA GLY A 188 42.189 10.145 22.862 1.00 0.87 C +ATOM 1479 C GLY A 188 41.430 9.980 24.172 1.00 0.87 C +ATOM 1480 O GLY A 188 41.866 10.475 25.207 1.00 0.87 O +ATOM 1481 N ILE A 189 40.278 9.305 24.135 1.00 0.56 N +ATOM 1482 CA ILE A 189 39.457 9.085 25.338 1.00 0.56 C +ATOM 1483 C ILE A 189 40.150 8.038 26.214 1.00 0.56 C +ATOM 1484 O ILE A 189 41.098 7.422 25.742 1.00 0.56 O +ATOM 1485 CB ILE A 189 38.010 8.626 24.941 1.00 0.56 C +ATOM 1486 CG1 ILE A 189 37.301 9.745 24.155 1.00 0.56 C +ATOM 1487 CG2 ILE A 189 37.210 8.244 26.174 1.00 0.56 C +ATOM 1488 CD1 ILE A 189 37.221 11.092 24.870 1.00 0.56 C +ATOM 1489 N ASP A 190 39.713 7.813 27.454 1.00 0.00 N +ATOM 1490 CA ASP A 190 40.406 6.828 28.296 1.00 0.00 C +ATOM 1491 C ASP A 190 39.777 5.414 28.272 1.00 0.00 C +ATOM 1492 O ASP A 190 38.776 5.170 28.976 1.00 0.00 O +ATOM 1493 CB ASP A 190 40.478 7.325 29.736 1.00 0.00 C +ATOM 1494 CG ASP A 190 41.617 6.687 30.506 1.00 0.00 C +ATOM 1495 OD1 ASP A 190 42.024 5.567 30.122 1.00 0.00 O +ATOM 1496 OD2 ASP A 190 42.098 7.293 31.492 1.00 0.00 O +ATOM 1497 N TYR A 191 40.381 4.502 27.494 1.00 0.00 N +ATOM 1498 CA TYR A 191 39.927 3.104 27.357 1.00 0.00 C +ATOM 1499 C TYR A 191 40.880 2.226 28.105 1.00 0.00 C +ATOM 1500 O TYR A 191 40.668 1.017 28.187 1.00 0.00 O +ATOM 1501 CB TYR A 191 39.995 2.617 25.901 1.00 0.00 C +ATOM 1502 CG TYR A 191 39.814 3.675 24.829 1.00 0.00 C +ATOM 1503 CD1 TYR A 191 38.550 4.220 24.560 1.00 0.00 C +ATOM 1504 CD2 TYR A 191 40.907 4.144 24.094 1.00 0.00 C +ATOM 1505 CE1 TYR A 191 38.378 5.206 23.590 1.00 0.00 C +ATOM 1506 CE2 TYR A 191 40.746 5.132 23.123 1.00 0.00 C +ATOM 1507 CZ TYR A 191 39.478 5.664 22.875 1.00 0.00 C +ATOM 1508 OH TYR A 191 39.306 6.668 21.938 1.00 0.00 O +ATOM 1509 N TYR A 192 41.926 2.845 28.642 1.00 0.00 N +ATOM 1510 CA TYR A 192 43.004 2.137 29.321 1.00 0.00 C +ATOM 1511 C TYR A 192 42.786 1.853 30.794 1.00 0.00 C +ATOM 1512 O TYR A 192 43.030 0.723 31.202 1.00 0.00 O +ATOM 1513 CB TYR A 192 44.321 2.911 29.139 1.00 0.00 C +ATOM 1514 CG TYR A 192 44.643 3.205 27.686 1.00 0.00 C +ATOM 1515 CD1 TYR A 192 44.065 4.297 27.030 1.00 0.00 C +ATOM 1516 CD2 TYR A 192 45.464 2.348 26.940 1.00 0.00 C +ATOM 1517 CE1 TYR A 192 44.290 4.527 25.670 1.00 0.00 C +ATOM 1518 CE2 TYR A 192 45.695 2.569 25.579 1.00 0.00 C +ATOM 1519 CZ TYR A 192 45.102 3.658 24.954 1.00 0.00 C +ATOM 1520 OH TYR A 192 45.287 3.873 23.606 1.00 0.00 O +ATOM 1521 N THR A 193 42.357 2.840 31.585 1.00 0.11 N +ATOM 1522 CA THR A 193 42.177 2.654 33.028 1.00 0.11 C +ATOM 1523 C THR A 193 40.724 2.801 33.439 1.00 0.11 C +ATOM 1524 O THR A 193 39.944 3.474 32.757 1.00 0.11 O +ATOM 1525 CB THR A 193 43.035 3.683 33.807 1.00 0.11 C +ATOM 1526 OG1 THR A 193 42.482 5.000 33.656 1.00 0.11 O +ATOM 1527 CG2 THR A 193 44.460 3.696 33.256 1.00 0.11 C +ATOM 1528 N PRO A 194 40.324 2.158 34.546 1.00 0.20 N +ATOM 1529 CA PRO A 194 38.913 2.344 34.891 1.00 0.20 C +ATOM 1530 C PRO A 194 38.674 3.672 35.645 1.00 0.20 C +ATOM 1531 O PRO A 194 37.515 4.037 35.851 1.00 0.20 O +ATOM 1532 CB PRO A 194 38.588 1.098 35.732 1.00 0.20 C +ATOM 1533 CG PRO A 194 39.611 0.088 35.293 1.00 0.20 C +ATOM 1534 CD PRO A 194 40.857 0.947 35.188 1.00 0.20 C +ATOM 1535 N HIS A 195 39.757 4.372 36.021 1.00 0.16 N +ATOM 1536 CA HIS A 195 39.734 5.670 36.756 1.00 0.16 C +ATOM 1537 C HIS A 195 38.309 6.085 37.150 1.00 0.16 C +ATOM 1538 O HIS A 195 37.689 6.919 36.467 1.00 0.16 O +ATOM 1539 CB HIS A 195 40.390 6.798 35.912 1.00 0.16 C +ATOM 1540 CG HIS A 195 40.839 8.004 36.702 1.00 0.16 C +ATOM 1541 ND1 HIS A 195 40.555 9.297 36.311 1.00 0.16 N +ATOM 1542 CD2 HIS A 195 41.623 8.115 37.801 1.00 0.16 C +ATOM 1543 CE1 HIS A 195 41.146 10.149 37.131 1.00 0.16 C +ATOM 1544 NE2 HIS A 195 41.802 9.457 38.044 1.00 0.16 N +ATOM 1545 N GLU A 196 37.812 5.511 38.246 1.00 0.03 N +ATOM 1546 CA GLU A 196 36.479 5.793 38.761 1.00 0.03 C +ATOM 1547 C GLU A 196 36.321 7.271 39.080 1.00 0.03 C +ATOM 1548 O GLU A 196 35.254 7.826 38.854 1.00 0.03 O +ATOM 1549 CB GLU A 196 36.238 4.967 40.026 1.00 0.03 C +ATOM 1550 CG GLU A 196 36.216 3.464 39.810 1.00 0.03 C +ATOM 1551 CD GLU A 196 36.165 2.672 41.118 1.00 0.03 C +ATOM 1552 OE1 GLU A 196 35.492 3.119 42.088 1.00 0.03 O +ATOM 1553 OE2 GLU A 196 36.794 1.587 41.169 1.00 0.03 O +ATOM 1554 N GLU A 197 37.381 7.892 39.597 1.00 0.49 N +ATOM 1555 CA GLU A 197 37.417 9.309 39.999 1.00 0.49 C +ATOM 1556 C GLU A 197 36.842 10.245 38.938 1.00 0.49 C +ATOM 1557 O GLU A 197 36.362 11.314 39.261 1.00 0.49 O +ATOM 1558 CB GLU A 197 38.874 9.698 40.289 1.00 0.49 C +ATOM 1559 CG GLU A 197 39.094 11.064 40.943 1.00 0.49 C +ATOM 1560 CD GLU A 197 40.575 11.525 40.882 1.00 0.49 C +ATOM 1561 OE1 GLU A 197 41.498 10.688 41.086 1.00 0.49 O +ATOM 1562 OE2 GLU A 197 40.815 12.735 40.636 1.00 0.49 O +ATOM 1563 N THR A 198 36.884 9.833 37.682 1.00 2.59 N +ATOM 1564 CA THR A 198 36.420 10.661 36.590 1.00 2.59 C +ATOM 1565 C THR A 198 35.379 9.904 35.749 1.00 2.59 C +ATOM 1566 O THR A 198 34.978 10.381 34.698 1.00 2.59 O +ATOM 1567 CB THR A 198 37.661 11.113 35.759 1.00 2.59 C +ATOM 1568 OG1 THR A 198 37.384 12.351 35.102 1.00 2.59 O +ATOM 1569 CG2 THR A 198 38.051 10.060 34.745 1.00 2.59 C +ATOM 1570 N ASN A 199 34.960 8.730 36.228 1.00 0.25 N +ATOM 1571 CA ASN A 199 33.922 7.881 35.607 1.00 0.25 C +ATOM 1572 C ASN A 199 34.178 7.517 34.175 1.00 0.25 C +ATOM 1573 O ASN A 199 33.310 7.763 33.342 1.00 0.25 O +ATOM 1574 CB ASN A 199 32.576 8.576 35.684 1.00 0.25 C +ATOM 1575 CG ASN A 199 32.150 8.825 37.098 1.00 0.25 C +ATOM 1576 OD1 ASN A 199 32.522 9.827 37.728 1.00 0.25 O +ATOM 1577 ND2 ASN A 199 31.382 7.898 37.628 1.00 0.25 N +ATOM 1578 N ASN A 200 35.312 6.872 33.904 1.00 0.28 N +ATOM 1579 CA ASN A 200 35.735 6.499 32.548 1.00 0.28 C +ATOM 1580 C ASN A 200 34.948 5.383 31.908 1.00 0.28 C +ATOM 1581 O ASN A 200 34.502 5.540 30.786 1.00 0.28 O +ATOM 1582 CB ASN A 200 37.214 6.098 32.545 1.00 0.28 C +ATOM 1583 CG ASN A 200 38.139 7.276 32.710 1.00 0.28 C +ATOM 1584 OD1 ASN A 200 37.707 8.406 32.911 1.00 0.28 O +ATOM 1585 ND2 ASN A 200 39.432 7.011 32.628 1.00 0.28 N +ATOM 1586 N GLU A 201 34.793 4.254 32.579 1.00 0.65 N +ATOM 1587 CA GLU A 201 34.104 3.142 31.940 1.00 0.65 C +ATOM 1588 C GLU A 201 32.696 3.514 31.392 1.00 0.65 C +ATOM 1589 O GLU A 201 32.325 3.064 30.296 1.00 0.65 O +ATOM 1590 CB GLU A 201 34.053 1.953 32.902 1.00 0.65 C +ATOM 1591 CG GLU A 201 35.426 1.505 33.407 1.00 0.65 C +ATOM 1592 CD GLU A 201 35.955 0.240 32.737 1.00 0.65 C +ATOM 1593 OE1 GLU A 201 35.150 -0.665 32.426 1.00 0.65 O +ATOM 1594 OE2 GLU A 201 37.189 0.141 32.553 1.00 0.65 O +ATOM 1595 N SER A 202 31.932 4.336 32.107 1.00 0.06 N +ATOM 1596 CA SER A 202 30.587 4.706 31.651 1.00 0.06 C +ATOM 1597 C SER A 202 30.618 5.603 30.425 1.00 0.06 C +ATOM 1598 O SER A 202 29.815 5.408 29.523 1.00 0.06 O +ATOM 1599 CB SER A 202 29.827 5.401 32.772 1.00 0.06 C +ATOM 1600 OG SER A 202 30.610 6.442 33.320 1.00 0.06 O +ATOM 1601 N PHE A 203 31.516 6.581 30.390 1.00 0.75 N +ATOM 1602 CA PHE A 203 31.605 7.472 29.244 1.00 0.75 C +ATOM 1603 C PHE A 203 31.922 6.688 27.984 1.00 0.75 C +ATOM 1604 O PHE A 203 31.333 6.952 26.947 1.00 0.75 O +ATOM 1605 CB PHE A 203 32.691 8.525 29.459 1.00 0.75 C +ATOM 1606 CG PHE A 203 32.809 9.496 28.322 1.00 0.75 C +ATOM 1607 CD1 PHE A 203 32.065 10.670 28.314 1.00 0.75 C +ATOM 1608 CD2 PHE A 203 33.616 9.207 27.230 1.00 0.75 C +ATOM 1609 CE1 PHE A 203 32.117 11.545 27.234 1.00 0.75 C +ATOM 1610 CE2 PHE A 203 33.676 10.073 26.148 1.00 0.75 C +ATOM 1611 CZ PHE A 203 32.924 11.246 26.149 1.00 0.75 C +ATOM 1612 N VAL A 204 32.848 5.732 28.071 1.00 0.00 N +ATOM 1613 CA VAL A 204 33.254 4.917 26.914 1.00 0.00 C +ATOM 1614 C VAL A 204 32.061 4.168 26.311 1.00 0.00 C +ATOM 1615 O VAL A 204 31.962 4.031 25.093 1.00 0.00 O +ATOM 1616 CB VAL A 204 34.389 3.900 27.301 1.00 0.00 C +ATOM 1617 CG1 VAL A 204 34.646 2.931 26.162 1.00 0.00 C +ATOM 1618 CG2 VAL A 204 35.685 4.648 27.632 1.00 0.00 C +ATOM 1619 N ILE A 205 31.156 3.683 27.146 1.00 0.04 N +ATOM 1620 CA ILE A 205 29.992 2.978 26.634 1.00 0.04 C +ATOM 1621 C ILE A 205 29.020 4.003 26.098 1.00 0.04 C +ATOM 1622 O ILE A 205 28.325 3.739 25.116 1.00 0.04 O +ATOM 1623 CB ILE A 205 29.350 2.132 27.751 1.00 0.04 C +ATOM 1624 CG1 ILE A 205 30.329 1.029 28.156 1.00 0.04 C +ATOM 1625 CG2 ILE A 205 28.041 1.533 27.279 1.00 0.04 C +ATOM 1626 CD1 ILE A 205 30.070 0.434 29.498 1.00 0.04 C +ATOM 1627 N TYR A 206 29.002 5.178 26.728 1.00 0.69 N +ATOM 1628 CA TYR A 206 28.121 6.259 26.308 1.00 0.69 C +ATOM 1629 C TYR A 206 28.539 6.743 24.926 1.00 0.69 C +ATOM 1630 O TYR A 206 27.691 7.131 24.123 1.00 0.69 O +ATOM 1631 CB TYR A 206 28.197 7.423 27.305 1.00 0.69 C +ATOM 1632 CG TYR A 206 27.952 8.798 26.694 1.00 0.69 C +ATOM 1633 CD1 TYR A 206 26.670 9.201 26.287 1.00 0.69 C +ATOM 1634 CD2 TYR A 206 29.009 9.702 26.529 1.00 0.69 C +ATOM 1635 CE1 TYR A 206 26.455 10.465 25.742 1.00 0.69 C +ATOM 1636 CE2 TYR A 206 28.806 10.963 25.985 1.00 0.69 C +ATOM 1637 CZ TYR A 206 27.531 11.333 25.598 1.00 0.69 C +ATOM 1638 OH TYR A 206 27.342 12.582 25.071 1.00 0.69 O +ATOM 1639 N MET A 207 29.834 6.706 24.642 1.00 0.77 N +ATOM 1640 CA MET A 207 30.335 7.171 23.358 1.00 0.77 C +ATOM 1641 C MET A 207 30.164 6.136 22.239 1.00 0.77 C +ATOM 1642 O MET A 207 29.827 6.500 21.107 1.00 0.77 O +ATOM 1643 CB MET A 207 31.802 7.544 23.502 1.00 0.77 C +ATOM 1644 CG MET A 207 32.461 7.907 22.190 1.00 0.77 C +ATOM 1645 SD MET A 207 34.246 8.086 22.339 1.00 0.77 S +ATOM 1646 CE MET A 207 34.757 6.330 22.437 1.00 0.77 C +ATOM 1647 N PHE A 208 30.401 4.866 22.540 1.00 8.70 N +ATOM 1648 CA PHE A 208 30.286 3.817 21.540 1.00 8.70 C +ATOM 1649 C PHE A 208 28.861 3.534 21.193 1.00 8.70 C +ATOM 1650 O PHE A 208 28.625 2.954 20.158 1.00 8.70 O +ATOM 1651 CB PHE A 208 30.932 2.539 22.038 1.00 8.70 C +ATOM 1652 CG PHE A 208 32.398 2.446 21.752 1.00 8.70 C +ATOM 1653 CD1 PHE A 208 32.857 2.349 20.446 1.00 8.70 C +ATOM 1654 CD2 PHE A 208 33.329 2.430 22.789 1.00 8.70 C +ATOM 1655 CE1 PHE A 208 34.221 2.237 20.174 1.00 8.70 C +ATOM 1656 CE2 PHE A 208 34.696 2.317 22.526 1.00 8.70 C +ATOM 1657 CZ PHE A 208 35.141 2.221 21.218 1.00 8.70 C +ATOM 1658 N VAL A 209 27.908 3.920 22.039 1.00 0.08 N +ATOM 1659 CA VAL A 209 26.496 3.653 21.733 1.00 0.08 C +ATOM 1660 C VAL A 209 25.829 4.883 21.156 1.00 0.08 C +ATOM 1661 O VAL A 209 25.279 4.812 20.052 1.00 0.08 O +ATOM 1662 CB VAL A 209 25.684 3.184 22.990 1.00 0.08 C +ATOM 1663 CG1 VAL A 209 24.236 2.891 22.584 1.00 0.08 C +ATOM 1664 CG2 VAL A 209 26.323 1.917 23.615 1.00 0.08 C +ATOM 1665 N VAL A 210 25.881 5.997 21.880 1.00 0.05 N +ATOM 1666 CA VAL A 210 25.269 7.244 21.430 1.00 0.05 C +ATOM 1667 C VAL A 210 26.011 7.849 20.265 1.00 0.05 C +ATOM 1668 O VAL A 210 25.382 8.391 19.354 1.00 0.05 O +ATOM 1669 CB VAL A 210 25.247 8.311 22.546 1.00 0.05 C +ATOM 1670 CG1 VAL A 210 24.818 9.674 21.980 1.00 0.05 C +ATOM 1671 CG2 VAL A 210 24.322 7.864 23.662 1.00 0.05 C +ATOM 1672 N HIS A 211 27.333 7.767 20.277 1.00 4.08 N +ATOM 1673 CA HIS A 211 28.098 8.383 19.214 1.00 4.08 C +ATOM 1674 C HIS A 211 28.841 7.391 18.373 1.00 4.08 C +ATOM 1675 O HIS A 211 30.042 7.532 18.186 1.00 4.08 O +ATOM 1676 CB HIS A 211 29.045 9.388 19.831 1.00 4.08 C +ATOM 1677 CG HIS A 211 28.353 10.363 20.719 1.00 4.08 C +ATOM 1678 ND1 HIS A 211 27.520 11.341 20.231 1.00 4.08 N +ATOM 1679 CD2 HIS A 211 28.311 10.467 22.067 1.00 4.08 C +ATOM 1680 CE1 HIS A 211 26.990 12.009 21.239 1.00 4.08 C +ATOM 1681 NE2 HIS A 211 27.454 11.497 22.366 1.00 4.08 N +ATOM 1682 N PHE A 212 28.134 6.391 17.856 1.00 0.00 N +ATOM 1683 CA PHE A 212 28.755 5.393 16.992 1.00 0.00 C +ATOM 1684 C PHE A 212 27.747 4.343 16.527 1.00 0.00 C +ATOM 1685 O PHE A 212 27.249 4.425 15.416 1.00 0.00 O +ATOM 1686 CB PHE A 212 29.939 4.721 17.700 1.00 0.00 C +ATOM 1687 CG PHE A 212 30.666 3.724 16.843 1.00 0.00 C +ATOM 1688 CD1 PHE A 212 31.090 4.064 15.572 1.00 0.00 C +ATOM 1689 CD2 PHE A 212 30.948 2.454 17.316 1.00 0.00 C +ATOM 1690 CE1 PHE A 212 31.791 3.149 14.786 1.00 0.00 C +ATOM 1691 CE2 PHE A 212 31.646 1.533 16.537 1.00 0.00 C +ATOM 1692 CZ PHE A 212 32.069 1.881 15.273 1.00 0.00 C +ATOM 1693 N ILE A 213 27.498 3.337 17.355 1.00 0.88 N +ATOM 1694 CA ILE A 213 26.576 2.285 16.971 1.00 0.88 C +ATOM 1695 C ILE A 213 25.302 2.886 16.458 1.00 0.88 C +ATOM 1696 O ILE A 213 24.852 2.532 15.378 1.00 0.88 O +ATOM 1697 CB ILE A 213 26.225 1.369 18.149 1.00 0.88 C +ATOM 1698 CG1 ILE A 213 27.460 0.619 18.620 1.00 0.88 C +ATOM 1699 CG2 ILE A 213 25.183 0.368 17.716 1.00 0.88 C +ATOM 1700 CD1 ILE A 213 27.193 -0.213 19.838 1.00 0.88 C +ATOM 1701 N ILE A 214 24.742 3.811 17.219 1.00 0.46 N +ATOM 1702 CA ILE A 214 23.486 4.432 16.852 1.00 0.46 C +ATOM 1703 C ILE A 214 23.522 5.226 15.559 1.00 0.46 C +ATOM 1704 O ILE A 214 22.766 4.904 14.644 1.00 0.46 O +ATOM 1705 CB ILE A 214 22.982 5.295 18.004 1.00 0.46 C +ATOM 1706 CG1 ILE A 214 22.393 4.372 19.069 1.00 0.46 C +ATOM 1707 CG2 ILE A 214 21.979 6.324 17.506 1.00 0.46 C +ATOM 1708 CD1 ILE A 214 21.787 5.096 20.218 1.00 0.46 C +ATOM 1709 N PRO A 215 24.361 6.269 15.454 1.00 0.00 N +ATOM 1710 CA PRO A 215 24.366 7.013 14.188 1.00 0.00 C +ATOM 1711 C PRO A 215 24.608 6.115 12.980 1.00 0.00 C +ATOM 1712 O PRO A 215 24.114 6.410 11.897 1.00 0.00 O +ATOM 1713 CB PRO A 215 25.479 8.031 14.391 1.00 0.00 C +ATOM 1714 CG PRO A 215 25.452 8.260 15.857 1.00 0.00 C +ATOM 1715 CD PRO A 215 25.292 6.873 16.418 1.00 0.00 C +ATOM 1716 N LEU A 216 25.365 5.034 13.171 1.00 0.01 N +ATOM 1717 CA LEU A 216 25.657 4.072 12.102 1.00 0.01 C +ATOM 1718 C LEU A 216 24.375 3.383 11.650 1.00 0.01 C +ATOM 1719 O LEU A 216 24.111 3.259 10.452 1.00 0.01 O +ATOM 1720 CB LEU A 216 26.641 2.992 12.584 1.00 0.01 C +ATOM 1721 CG LEU A 216 28.120 3.210 12.310 1.00 0.01 C +ATOM 1722 CD1 LEU A 216 28.291 3.808 10.949 1.00 0.01 C +ATOM 1723 CD2 LEU A 216 28.680 4.136 13.305 1.00 0.01 C +ATOM 1724 N ILE A 217 23.588 2.919 12.612 1.00 0.46 N +ATOM 1725 CA ILE A 217 22.334 2.239 12.332 1.00 0.46 C +ATOM 1726 C ILE A 217 21.417 3.107 11.472 1.00 0.46 C +ATOM 1727 O ILE A 217 20.907 2.632 10.453 1.00 0.46 O +ATOM 1728 CB ILE A 217 21.643 1.910 13.636 1.00 0.46 C +ATOM 1729 CG1 ILE A 217 22.513 0.945 14.431 1.00 0.46 C +ATOM 1730 CG2 ILE A 217 20.279 1.337 13.357 1.00 0.46 C +ATOM 1731 CD1 ILE A 217 22.163 0.908 15.880 1.00 0.46 C +ATOM 1732 N VAL A 218 21.202 4.352 11.902 1.00 0.01 N +ATOM 1733 CA VAL A 218 20.373 5.329 11.190 1.00 0.01 C +ATOM 1734 C VAL A 218 20.819 5.400 9.760 1.00 0.01 C +ATOM 1735 O VAL A 218 20.052 5.147 8.832 1.00 0.01 O +ATOM 1736 CB VAL A 218 20.552 6.742 11.776 1.00 0.01 C +ATOM 1737 CG1 VAL A 218 19.976 7.781 10.828 1.00 0.01 C +ATOM 1738 CG2 VAL A 218 19.912 6.820 13.136 1.00 0.01 C +ATOM 1739 N ILE A 219 22.081 5.761 9.601 1.00 0.23 N +ATOM 1740 CA ILE A 219 22.713 5.911 8.306 1.00 0.23 C +ATOM 1741 C ILE A 219 22.573 4.662 7.457 1.00 0.23 C +ATOM 1742 O ILE A 219 22.239 4.764 6.281 1.00 0.23 O +ATOM 1743 CB ILE A 219 24.188 6.249 8.495 1.00 0.23 C +ATOM 1744 CG1 ILE A 219 24.304 7.614 9.173 1.00 0.23 C +ATOM 1745 CG2 ILE A 219 24.888 6.237 7.174 1.00 0.23 C +ATOM 1746 CD1 ILE A 219 25.712 8.055 9.465 1.00 0.23 C +ATOM 1747 N PHE A 220 22.827 3.494 8.033 1.00 0.13 N +ATOM 1748 CA PHE A 220 22.726 2.251 7.288 1.00 0.13 C +ATOM 1749 C PHE A 220 21.321 1.915 6.957 1.00 0.13 C +ATOM 1750 O PHE A 220 21.013 1.600 5.807 1.00 0.13 O +ATOM 1751 CB PHE A 220 23.336 1.126 8.082 1.00 0.13 C +ATOM 1752 CG PHE A 220 24.786 1.071 7.942 1.00 0.13 C +ATOM 1753 CD1 PHE A 220 25.340 0.905 6.686 1.00 0.13 C +ATOM 1754 CD2 PHE A 220 25.609 1.262 9.029 1.00 0.13 C +ATOM 1755 CE1 PHE A 220 26.692 0.938 6.509 1.00 0.13 C +ATOM 1756 CE2 PHE A 220 26.970 1.299 8.867 1.00 0.13 C +ATOM 1757 CZ PHE A 220 27.516 1.136 7.603 1.00 0.13 C +ATOM 1758 N PHE A 221 20.459 1.945 7.958 1.00 0.00 N +ATOM 1759 CA PHE A 221 19.082 1.649 7.692 1.00 0.00 C +ATOM 1760 C PHE A 221 18.609 2.559 6.591 1.00 0.00 C +ATOM 1761 O PHE A 221 18.157 2.082 5.559 1.00 0.00 O +ATOM 1762 CB PHE A 221 18.241 1.866 8.926 1.00 0.00 C +ATOM 1763 CG PHE A 221 16.798 1.634 8.679 1.00 0.00 C +ATOM 1764 CD1 PHE A 221 15.909 2.706 8.614 1.00 0.00 C +ATOM 1765 CD2 PHE A 221 16.328 0.341 8.431 1.00 0.00 C +ATOM 1766 CE1 PHE A 221 14.565 2.499 8.301 1.00 0.00 C +ATOM 1767 CE2 PHE A 221 14.990 0.118 8.118 1.00 0.00 C +ATOM 1768 CZ PHE A 221 14.104 1.203 8.052 1.00 0.00 C +ATOM 1769 N CYS A 222 18.733 3.864 6.797 1.00 0.60 N +ATOM 1770 CA CYS A 222 18.316 4.839 5.802 1.00 0.60 C +ATOM 1771 C CYS A 222 18.779 4.437 4.409 1.00 0.60 C +ATOM 1772 O CYS A 222 18.085 4.699 3.442 1.00 0.60 O +ATOM 1773 CB CYS A 222 18.876 6.211 6.145 1.00 0.60 C +ATOM 1774 SG CYS A 222 18.607 7.402 4.833 1.00 0.60 S +ATOM 1775 N TYR A 223 19.944 3.811 4.304 1.00 0.00 N +ATOM 1776 CA TYR A 223 20.467 3.393 3.010 1.00 0.00 C +ATOM 1777 C TYR A 223 19.632 2.278 2.478 1.00 0.00 C +ATOM 1778 O TYR A 223 19.282 2.269 1.304 1.00 0.00 O +ATOM 1779 CB TYR A 223 21.897 2.913 3.162 1.00 0.00 C +ATOM 1780 CG TYR A 223 22.459 2.230 1.938 1.00 0.00 C +ATOM 1781 CD1 TYR A 223 22.733 2.943 0.778 1.00 0.00 C +ATOM 1782 CD2 TYR A 223 22.779 0.875 1.962 1.00 0.00 C +ATOM 1783 CE1 TYR A 223 23.330 2.319 -0.332 1.00 0.00 C +ATOM 1784 CE2 TYR A 223 23.375 0.244 0.860 1.00 0.00 C +ATOM 1785 CZ TYR A 223 23.652 0.970 -0.281 1.00 0.00 C +ATOM 1786 OH TYR A 223 24.284 0.358 -1.345 1.00 0.00 O +ATOM 1787 N GLY A 224 19.328 1.322 3.344 1.00100.00 N +ATOM 1788 CA GLY A 224 18.512 0.200 2.939 1.00100.00 C +ATOM 1789 C GLY A 224 17.194 0.687 2.378 1.00100.00 C +ATOM 1790 O GLY A 224 16.397 -0.112 1.913 1.00100.00 O +ATOM 1791 N GLN A 225 16.965 2.000 2.441 1.00 0.03 N +ATOM 1792 CA GLN A 225 15.742 2.622 1.918 1.00 0.03 C +ATOM 1793 C GLN A 225 16.018 3.072 0.515 1.00 0.03 C +ATOM 1794 O GLN A 225 15.278 2.743 -0.412 1.00 0.03 O +ATOM 1795 CB GLN A 225 15.341 3.838 2.764 1.00 0.03 C +ATOM 1796 CG GLN A 225 15.199 3.504 4.219 1.00 0.03 C +ATOM 1797 CD GLN A 225 14.365 2.257 4.417 1.00 0.03 C +ATOM 1798 OE1 GLN A 225 13.145 2.325 4.513 1.00 0.03 O +ATOM 1799 NE2 GLN A 225 15.026 1.099 4.453 1.00 0.03 N +ATOM 1800 N LEU A 226 17.090 3.838 0.370 1.00 0.00 N +ATOM 1801 CA LEU A 226 17.502 4.320 -0.927 1.00 0.00 C +ATOM 1802 C LEU A 226 18.210 3.184 -1.638 1.00 0.00 C +ATOM 1803 O LEU A 226 19.252 3.358 -2.269 1.00 0.00 O +ATOM 1804 CB LEU A 226 18.406 5.547 -0.770 1.00 0.00 C +ATOM 1805 CG LEU A 226 17.656 6.856 -0.476 1.00 0.00 C +ATOM 1806 CD1 LEU A 226 16.820 6.726 0.789 1.00 0.00 C +ATOM 1807 CD2 LEU A 226 18.656 7.990 -0.354 1.00 0.00 C +ATOM 1808 N VAL A 227 17.633 1.999 -1.491 1.00 0.15 N +ATOM 1809 CA VAL A 227 18.137 0.800 -2.138 1.00 0.15 C +ATOM 1810 C VAL A 227 17.169 0.493 -3.276 1.00 0.15 C +ATOM 1811 O VAL A 227 17.599 0.392 -4.434 1.00 0.15 O +ATOM 1812 CB VAL A 227 18.217 -0.412 -1.138 1.00 0.15 C +ATOM 1813 CG1 VAL A 227 16.816 -0.865 -0.708 1.00 0.15 C +ATOM 1814 CG2 VAL A 227 18.975 -1.568 -1.781 1.00 0.15 C +ATOM 1815 N PHE A 228 15.874 0.384 -2.947 1.00 0.28 N +ATOM 1816 CA PHE A 228 14.825 0.113 -3.937 1.00 0.28 C +ATOM 1817 C PHE A 228 14.583 1.378 -4.744 1.00 0.28 C +ATOM 1818 O PHE A 228 14.289 1.309 -5.943 1.00 0.28 O +ATOM 1819 CB PHE A 228 13.515 -0.332 -3.257 1.00 0.28 C +ATOM 1820 CG PHE A 228 12.424 -0.726 -4.236 1.00 0.28 C +ATOM 1821 CD1 PHE A 228 12.637 -1.745 -5.169 1.00 0.28 C +ATOM 1822 CD2 PHE A 228 11.188 -0.078 -4.227 1.00 0.28 C +ATOM 1823 CE1 PHE A 228 11.636 -2.114 -6.080 1.00 0.28 C +ATOM 1824 CE2 PHE A 228 10.181 -0.438 -5.133 1.00 0.28 C +ATOM 1825 CZ PHE A 228 10.407 -1.459 -6.060 1.00 0.28 C +ATOM 1826 N THR A 229 14.704 2.528 -4.088 1.00 1.27 N +ATOM 1827 CA THR A 229 14.520 3.802 -4.769 1.00 1.27 C +ATOM 1828 C THR A 229 15.838 4.142 -5.498 1.00 1.27 C +ATOM 1829 O THR A 229 16.423 3.238 -6.118 1.00 1.27 O +ATOM 1830 CB THR A 229 14.116 4.927 -3.757 1.00 1.27 C +ATOM 1831 OG1 THR A 229 13.153 4.416 -2.819 1.00 1.27 O +ATOM 1832 CG2 THR A 229 13.482 6.103 -4.500 1.00 1.27 C +ATOM 1833 N VAL A 230 16.305 5.395 -5.422 1.00 1.04 N +ATOM 1834 CA VAL A 230 17.543 5.824 -6.102 1.00 1.04 C +ATOM 1835 C VAL A 230 18.678 4.810 -5.868 1.00 1.04 C +ATOM 1836 O VAL A 230 18.959 4.437 -4.723 1.00 1.04 O +ATOM 1837 CB VAL A 230 17.976 7.273 -5.636 1.00 1.04 C +ATOM 1838 CG1 VAL A 230 18.647 7.223 -4.275 1.00 1.04 C +ATOM 1839 CG2 VAL A 230 18.891 7.919 -6.667 1.00 1.04 C +ATOM 1840 N LYS A 231 19.304 4.354 -6.954 1.00 0.03 N +ATOM 1841 CA LYS A 231 20.392 3.378 -6.865 1.00 0.03 C +ATOM 1842 C LYS A 231 21.684 3.954 -7.409 1.00 0.03 C +ATOM 1843 O LYS A 231 21.674 4.990 -8.075 1.00 0.03 O +ATOM 1844 CB LYS A 231 20.054 2.103 -7.644 1.00 0.03 C +ATOM 1845 CG LYS A 231 18.844 1.346 -7.136 1.00 0.03 C +ATOM 1846 CD LYS A 231 18.660 0.029 -7.886 1.00 0.03 C +ATOM 1847 CE LYS A 231 18.519 0.227 -9.399 1.00 0.03 C +ATOM 1848 NZ LYS A 231 19.793 0.623 -10.064 1.00 0.03 N +ATOM 1849 N GLU A 232 22.788 3.264 -7.122 1.00 0.00 N +ATOM 1850 CA GLU A 232 24.122 3.667 -7.567 1.00 0.00 C +ATOM 1851 C GLU A 232 24.144 3.698 -9.076 1.00 0.00 C +ATOM 1852 O GLU A 232 24.943 4.438 -9.672 1.00 0.00 O +ATOM 1853 CB GLU A 232 25.165 2.675 -7.051 1.00 0.00 C +ATOM 1854 CG GLU A 232 25.017 2.370 -5.578 1.00 0.00 C +ATOM 1855 CD GLU A 232 26.004 1.335 -5.103 1.00 0.00 C +ATOM 1856 OE1 GLU A 232 26.041 0.228 -5.688 1.00 0.00 O +ATOM 1857 OE2 GLU A 232 26.738 1.632 -4.141 1.00 0.00 O +ATOM 1858 N ALA A 233 23.281 2.886 -9.688 1.00 0.00 N +ATOM 1859 CA ALA A 233 23.167 2.836 -11.140 1.00 0.00 C +ATOM 1860 C ALA A 233 22.716 4.213 -11.601 1.00 0.00 C +ATOM 1861 O ALA A 233 21.512 4.505 -11.600 1.00 0.00 O +ATOM 1862 CB ALA A 233 22.146 1.762 -11.559 1.00 0.00 C +ATOM 1863 N ALA A 234 23.683 5.057 -11.964 1.00 0.00 N +ATOM 1864 CA ALA A 234 23.414 6.424 -12.417 1.00 0.00 C +ATOM 1865 C ALA A 234 23.704 6.536 -13.907 1.00 0.00 C +ATOM 1866 O ALA A 234 24.844 6.275 -14.324 1.00 0.00 O +ATOM 1867 CB ALA A 234 24.283 7.416 -11.629 1.00 0.00 C +ATOM 1868 N ALA A 235 22.690 6.925 -14.691 1.00 0.01 N +ATOM 1869 CA ALA A 235 22.820 7.067 -16.150 1.00 0.01 C +ATOM 1870 C ALA A 235 23.172 8.503 -16.548 1.00 0.01 C +ATOM 1871 O ALA A 235 23.796 9.232 -15.763 1.00 0.01 O +ATOM 1872 CB ALA A 235 21.518 6.613 -16.865 1.00 0.01 C +ATOM 1873 N GLN A 236 22.746 8.899 -17.748 1.00 0.00 N +ATOM 1874 CA GLN A 236 23.044 10.219 -18.330 1.00 0.00 C +ATOM 1875 C GLN A 236 21.950 11.300 -18.100 1.00 0.00 C +ATOM 1876 O GLN A 236 21.074 11.139 -17.240 1.00 0.00 O +ATOM 1877 CB GLN A 236 23.315 10.018 -19.833 1.00 0.00 C +ATOM 1878 CG GLN A 236 22.308 9.070 -20.511 1.00 0.00 C +ATOM 1879 CD GLN A 236 22.922 8.229 -21.625 1.00 0.00 C +ATOM 1880 OE1 GLN A 236 23.418 8.760 -22.619 1.00 0.00 O +ATOM 1881 NE2 GLN A 236 22.885 6.908 -21.458 1.00 0.00 N +ATOM 1882 N GLN A 237 22.033 12.392 -18.872 1.00 0.00 N +ATOM 1883 CA GLN A 237 21.107 13.538 -18.799 1.00 0.00 C +ATOM 1884 C GLN A 237 19.673 13.062 -18.704 1.00 0.00 C +ATOM 1885 O GLN A 237 19.188 12.335 -19.586 1.00 0.00 O +ATOM 1886 CB GLN A 237 21.268 14.453 -20.030 1.00 0.00 C +ATOM 1887 CG GLN A 237 22.711 14.624 -20.507 1.00 0.00 C +ATOM 1888 CD GLN A 237 23.219 13.405 -21.278 1.00 0.00 C +ATOM 1889 OE1 GLN A 237 24.423 13.152 -21.341 1.00 0.00 O +ATOM 1890 NE2 GLN A 237 22.294 12.652 -21.878 1.00 0.00 N +ATOM 1891 N GLN A 238 18.996 13.499 -17.647 1.00 0.00 N +ATOM 1892 CA GLN A 238 17.625 13.095 -17.384 1.00 0.00 C +ATOM 1893 C GLN A 238 17.631 11.635 -17.008 1.00 0.00 C +ATOM 1894 O GLN A 238 18.169 10.798 -17.749 1.00 0.00 O +ATOM 1895 CB GLN A 238 16.723 13.272 -18.610 1.00 0.00 C +ATOM 1896 CG GLN A 238 15.318 12.696 -18.393 1.00 0.00 C +ATOM 1897 CD GLN A 238 14.597 12.340 -19.683 1.00 0.00 C +ATOM 1898 OE1 GLN A 238 14.406 13.185 -20.553 1.00 0.00 O +ATOM 1899 NE2 GLN A 238 14.186 11.077 -19.804 1.00 0.00 N +ATOM 1900 N GLU A 239 17.045 11.328 -15.859 1.00 0.04 N +ATOM 1901 CA GLU A 239 16.951 9.956 -15.383 1.00 0.04 C +ATOM 1902 C GLU A 239 15.468 9.658 -15.287 1.00 0.04 C +ATOM 1903 O GLU A 239 15.045 8.506 -15.148 1.00 0.04 O +ATOM 1904 CB GLU A 239 17.608 9.856 -14.014 1.00 0.04 C +ATOM 1905 CG GLU A 239 18.041 8.467 -13.621 1.00 0.04 C +ATOM 1906 CD GLU A 239 19.420 8.142 -14.141 1.00 0.04 C +ATOM 1907 OE1 GLU A 239 19.642 8.305 -15.362 1.00 0.04 O +ATOM 1908 OE2 GLU A 239 20.278 7.729 -13.329 1.00 0.04 O +ATOM 1909 N SER A 240 14.710 10.750 -15.388 1.00 0.03 N +ATOM 1910 CA SER A 240 13.243 10.859 -15.343 1.00 0.03 C +ATOM 1911 C SER A 240 13.026 12.351 -15.193 1.00 0.03 C +ATOM 1912 O SER A 240 11.962 12.834 -14.810 1.00 0.03 O +ATOM 1913 CB SER A 240 12.644 10.112 -14.133 1.00 0.03 C +ATOM 1914 OG SER A 240 12.506 8.710 -14.367 1.00 0.03 O +ATOM 1915 N ALA A 241 14.107 13.051 -15.512 1.00 0.10 N +ATOM 1916 CA ALA A 241 14.248 14.490 -15.447 1.00 0.10 C +ATOM 1917 C ALA A 241 15.715 14.702 -15.127 1.00 0.10 C +ATOM 1918 O ALA A 241 16.228 14.011 -14.246 1.00 0.10 O +ATOM 1919 CB ALA A 241 13.368 15.069 -14.327 1.00 0.10 C +ATOM 1920 N THR A 242 16.409 15.587 -15.839 1.00 0.04 N +ATOM 1921 CA THR A 242 17.814 15.827 -15.518 1.00 0.04 C +ATOM 1922 C THR A 242 17.878 16.199 -14.050 1.00 0.04 C +ATOM 1923 O THR A 242 18.935 16.136 -13.434 1.00 0.04 O +ATOM 1924 CB THR A 242 18.420 16.959 -16.383 1.00 0.04 C +ATOM 1925 OG1 THR A 242 18.558 16.498 -17.733 1.00 0.04 O +ATOM 1926 CG2 THR A 242 19.796 17.375 -15.857 1.00 0.04 C +ATOM 1927 N THR A 243 16.727 16.590 -13.510 1.00 0.70 N +ATOM 1928 CA THR A 243 16.588 16.931 -12.100 1.00 0.70 C +ATOM 1929 C THR A 243 16.856 15.666 -11.342 1.00 0.70 C +ATOM 1930 O THR A 243 17.847 15.567 -10.627 1.00 0.70 O +ATOM 1931 CB THR A 243 15.146 17.396 -11.774 1.00 0.70 C +ATOM 1932 OG1 THR A 243 14.954 18.728 -12.260 1.00 0.70 O +ATOM 1933 CG2 THR A 243 14.882 17.354 -10.272 1.00 0.70 C +ATOM 1934 N GLN A 244 15.963 14.698 -11.521 1.00 0.04 N +ATOM 1935 CA GLN A 244 16.076 13.396 -10.883 1.00 0.04 C +ATOM 1936 C GLN A 244 17.473 12.833 -11.134 1.00 0.04 C +ATOM 1937 O GLN A 244 18.087 12.270 -10.228 1.00 0.04 O +ATOM 1938 CB GLN A 244 14.993 12.474 -11.450 1.00 0.04 C +ATOM 1939 CG GLN A 244 15.002 11.063 -10.906 1.00 0.04 C +ATOM 1940 CD GLN A 244 16.045 10.177 -11.571 1.00 0.04 C +ATOM 1941 OE1 GLN A 244 17.241 10.445 -11.507 1.00 0.04 O +ATOM 1942 NE2 GLN A 244 15.586 9.110 -12.215 1.00 0.04 N +ATOM 1943 N LYS A 245 17.968 12.981 -12.357 1.00 0.00 N +ATOM 1944 CA LYS A 245 19.294 12.496 -12.714 1.00 0.00 C +ATOM 1945 C LYS A 245 20.333 12.971 -11.715 1.00 0.00 C +ATOM 1946 O LYS A 245 20.908 12.167 -11.005 1.00 0.00 O +ATOM 1947 CB LYS A 245 19.665 12.985 -14.113 1.00 0.00 C +ATOM 1948 CG LYS A 245 21.148 12.952 -14.430 1.00 0.00 C +ATOM 1949 CD LYS A 245 21.696 11.536 -14.591 1.00 0.00 C +ATOM 1950 CE LYS A 245 22.051 10.854 -13.273 1.00 0.00 C +ATOM 1951 NZ LYS A 245 20.868 10.310 -12.547 1.00 0.00 N +ATOM 1952 N ALA A 246 20.566 14.274 -11.663 1.00 0.00 N +ATOM 1953 CA ALA A 246 21.553 14.857 -10.764 1.00 0.00 C +ATOM 1954 C ALA A 246 21.252 14.574 -9.299 1.00 0.00 C +ATOM 1955 O ALA A 246 22.036 14.957 -8.433 1.00 0.00 O +ATOM 1956 CB ALA A 246 21.619 16.340 -10.993 1.00 0.00 C +ATOM 1957 N GLU A 247 20.133 13.921 -9.013 1.00 0.00 N +ATOM 1958 CA GLU A 247 19.770 13.603 -7.634 1.00 0.00 C +ATOM 1959 C GLU A 247 20.489 12.357 -7.241 1.00 0.00 C +ATOM 1960 O GLU A 247 20.845 12.136 -6.082 1.00 0.00 O +ATOM 1961 CB GLU A 247 18.269 13.361 -7.526 1.00 0.00 C +ATOM 1962 CG GLU A 247 17.768 13.590 -6.144 1.00 0.00 C +ATOM 1963 CD GLU A 247 18.501 14.749 -5.515 1.00 0.00 C +ATOM 1964 OE1 GLU A 247 19.624 14.529 -5.002 1.00 0.00 O +ATOM 1965 OE2 GLU A 247 17.975 15.884 -5.560 1.00 0.00 O +ATOM 1966 N LYS A 248 20.673 11.531 -8.254 1.00 0.05 N +ATOM 1967 CA LYS A 248 21.349 10.265 -8.142 1.00 0.05 C +ATOM 1968 C LYS A 248 22.811 10.537 -7.836 1.00 0.05 C +ATOM 1969 O LYS A 248 23.459 9.717 -7.189 1.00 0.05 O +ATOM 1970 CB LYS A 248 21.197 9.528 -9.477 1.00 0.05 C +ATOM 1971 CG LYS A 248 21.346 8.018 -9.426 1.00 0.05 C +ATOM 1972 CD LYS A 248 20.378 7.363 -10.420 1.00 0.05 C +ATOM 1973 CE LYS A 248 18.921 7.787 -10.134 1.00 0.05 C +ATOM 1974 NZ LYS A 248 17.912 7.168 -11.051 1.00 0.05 N +ATOM 1975 N GLU A 249 23.322 11.689 -8.277 1.00 0.00 N +ATOM 1976 CA GLU A 249 24.726 12.027 -8.064 1.00 0.00 C +ATOM 1977 C GLU A 249 25.015 12.366 -6.624 1.00 0.00 C +ATOM 1978 O GLU A 249 25.952 11.825 -6.045 1.00 0.00 O +ATOM 1979 CB GLU A 249 25.152 13.200 -8.945 1.00 0.00 C +ATOM 1980 CG GLU A 249 26.585 13.654 -8.644 1.00 0.00 C +ATOM 1981 CD GLU A 249 26.919 15.029 -9.221 1.00 0.00 C +ATOM 1982 OE1 GLU A 249 26.012 15.899 -9.232 1.00 0.00 O +ATOM 1983 OE2 GLU A 249 28.085 15.246 -9.646 1.00 0.00 O +ATOM 1984 N VAL A 250 24.241 13.266 -6.042 1.00 0.00 N +ATOM 1985 CA VAL A 250 24.485 13.631 -4.664 1.00 0.00 C +ATOM 1986 C VAL A 250 24.453 12.405 -3.781 1.00 0.00 C +ATOM 1987 O VAL A 250 25.286 12.280 -2.891 1.00 0.00 O +ATOM 1988 CB VAL A 250 23.448 14.631 -4.162 1.00 0.00 C +ATOM 1989 CG1 VAL A 250 23.550 14.763 -2.658 1.00 0.00 C +ATOM 1990 CG2 VAL A 250 23.673 15.977 -4.810 1.00 0.00 C +ATOM 1991 N THR A 251 23.500 11.506 -4.021 1.00 0.00 N +ATOM 1992 CA THR A 251 23.377 10.288 -3.221 1.00 0.00 C +ATOM 1993 C THR A 251 24.639 9.411 -3.402 1.00 0.00 C +ATOM 1994 O THR A 251 25.140 8.882 -2.409 1.00 0.00 O +ATOM 1995 CB THR A 251 22.069 9.485 -3.599 1.00 0.00 C +ATOM 1996 OG1 THR A 251 20.951 10.382 -3.683 1.00 0.00 O +ATOM 1997 CG2 THR A 251 21.747 8.434 -2.537 1.00 0.00 C +ATOM 1998 N ARG A 252 25.155 9.282 -4.632 1.00 0.00 N +ATOM 1999 CA ARG A 252 26.351 8.470 -4.901 1.00 0.00 C +ATOM 2000 C ARG A 252 27.477 8.991 -4.057 1.00 0.00 C +ATOM 2001 O ARG A 252 28.271 8.228 -3.538 1.00 0.00 O +ATOM 2002 CB ARG A 252 26.774 8.573 -6.372 1.00 0.00 C +ATOM 2003 CG ARG A 252 27.077 7.244 -7.130 1.00 0.00 C +ATOM 2004 CD ARG A 252 27.960 6.228 -6.350 1.00 0.00 C +ATOM 2005 NE ARG A 252 28.824 5.410 -7.225 1.00 0.00 N +ATOM 2006 CZ ARG A 252 29.215 4.159 -6.959 1.00 0.00 C +ATOM 2007 NH1 ARG A 252 28.804 3.566 -5.841 1.00 0.00 N +ATOM 2008 NH2 ARG A 252 30.040 3.513 -7.790 1.00 0.00 N +ATOM 2009 N MET A 253 27.546 10.303 -3.918 1.00 0.05 N +ATOM 2010 CA MET A 253 28.601 10.916 -3.136 1.00 0.05 C +ATOM 2011 C MET A 253 28.377 10.739 -1.645 1.00 0.05 C +ATOM 2012 O MET A 253 29.317 10.385 -0.927 1.00 0.05 O +ATOM 2013 CB MET A 253 28.690 12.395 -3.457 1.00 0.05 C +ATOM 2014 CG MET A 253 29.587 13.135 -2.518 1.00 0.05 C +ATOM 2015 SD MET A 253 29.852 14.776 -3.131 1.00 0.05 S +ATOM 2016 CE MET A 253 29.009 15.766 -1.952 1.00 0.05 C +ATOM 2017 N VAL A 254 27.160 11.004 -1.175 1.00 0.00 N +ATOM 2018 CA VAL A 254 26.858 10.859 0.240 1.00 0.00 C +ATOM 2019 C VAL A 254 27.175 9.449 0.655 1.00 0.00 C +ATOM 2020 O VAL A 254 27.499 9.203 1.815 1.00 0.00 O +ATOM 2021 CB VAL A 254 25.382 11.180 0.535 1.00 0.00 C +ATOM 2022 CG1 VAL A 254 25.018 10.767 1.930 1.00 0.00 C +ATOM 2023 CG2 VAL A 254 25.162 12.662 0.410 1.00 0.00 C +ATOM 2024 N ILE A 255 27.109 8.524 -0.294 1.00 0.10 N +ATOM 2025 CA ILE A 255 27.405 7.130 -0.006 1.00 0.10 C +ATOM 2026 C ILE A 255 28.926 6.932 0.025 1.00 0.10 C +ATOM 2027 O ILE A 255 29.426 6.217 0.888 1.00 0.10 O +ATOM 2028 CB ILE A 255 26.727 6.193 -1.058 1.00 0.10 C +ATOM 2029 CG1 ILE A 255 25.199 6.362 -1.004 1.00 0.10 C +ATOM 2030 CG2 ILE A 255 27.072 4.731 -0.785 1.00 0.10 C +ATOM 2031 CD1 ILE A 255 24.448 5.578 -2.093 1.00 0.10 C +ATOM 2032 N ILE A 256 29.661 7.565 -0.888 1.00 0.01 N +ATOM 2033 CA ILE A 256 31.115 7.444 -0.880 1.00 0.01 C +ATOM 2034 C ILE A 256 31.652 8.047 0.398 1.00 0.01 C +ATOM 2035 O ILE A 256 32.559 7.495 0.996 1.00 0.01 O +ATOM 2036 CB ILE A 256 31.740 8.179 -2.066 1.00 0.01 C +ATOM 2037 CG1 ILE A 256 31.471 7.388 -3.335 1.00 0.01 C +ATOM 2038 CG2 ILE A 256 33.246 8.358 -1.844 1.00 0.01 C +ATOM 2039 CD1 ILE A 256 32.159 6.070 -3.337 1.00 0.01 C +ATOM 2040 N MET A 257 31.075 9.174 0.804 1.00 0.28 N +ATOM 2041 CA MET A 257 31.468 9.884 2.018 1.00 0.28 C +ATOM 2042 C MET A 257 31.347 8.999 3.227 1.00 0.28 C +ATOM 2043 O MET A 257 32.082 9.187 4.207 1.00 0.28 O +ATOM 2044 CB MET A 257 30.577 11.102 2.235 1.00 0.28 C +ATOM 2045 CG MET A 257 30.908 12.306 1.401 1.00 0.28 C +ATOM 2046 SD MET A 257 29.728 13.579 1.841 1.00 0.28 S +ATOM 2047 CE MET A 257 30.372 14.233 3.378 1.00 0.28 C +ATOM 2048 N VAL A 258 30.409 8.061 3.179 1.00 0.00 N +ATOM 2049 CA VAL A 258 30.193 7.135 4.286 1.00 0.00 C +ATOM 2050 C VAL A 258 31.281 6.062 4.293 1.00 0.00 C +ATOM 2051 O VAL A 258 31.797 5.710 5.354 1.00 0.00 O +ATOM 2052 CB VAL A 258 28.814 6.467 4.174 1.00 0.00 C +ATOM 2053 CG1 VAL A 258 28.648 5.449 5.281 1.00 0.00 C +ATOM 2054 CG2 VAL A 258 27.718 7.529 4.235 1.00 0.00 C +ATOM 2055 N ILE A 259 31.630 5.546 3.119 1.00 0.03 N +ATOM 2056 CA ILE A 259 32.672 4.529 3.016 1.00 0.03 C +ATOM 2057 C ILE A 259 33.989 5.115 3.486 1.00 0.03 C +ATOM 2058 O ILE A 259 34.750 4.442 4.181 1.00 0.03 O +ATOM 2059 CB ILE A 259 32.835 4.056 1.541 1.00 0.03 C +ATOM 2060 CG1 ILE A 259 31.572 3.331 1.086 1.00 0.03 C +ATOM 2061 CG2 ILE A 259 34.010 3.123 1.399 1.00 0.03 C +ATOM 2062 CD1 ILE A 259 31.193 2.204 2.003 1.00 0.03 C +ATOM 2063 N ALA A 260 34.255 6.365 3.108 1.00 0.02 N +ATOM 2064 CA ALA A 260 35.497 7.036 3.476 1.00 0.02 C +ATOM 2065 C ALA A 260 35.573 7.196 4.972 1.00 0.02 C +ATOM 2066 O ALA A 260 36.650 7.069 5.539 1.00 0.02 O +ATOM 2067 CB ALA A 260 35.600 8.407 2.781 1.00 0.02 C +ATOM 2068 N PHE A 261 34.443 7.463 5.615 1.00 1.64 N +ATOM 2069 CA PHE A 261 34.422 7.635 7.063 1.00 1.64 C +ATOM 2070 C PHE A 261 34.803 6.338 7.774 1.00 1.64 C +ATOM 2071 O PHE A 261 35.666 6.346 8.654 1.00 1.64 O +ATOM 2072 CB PHE A 261 33.028 8.069 7.530 1.00 1.64 C +ATOM 2073 CG PHE A 261 32.941 8.332 9.012 1.00 1.64 C +ATOM 2074 CD1 PHE A 261 33.192 9.604 9.520 1.00 1.64 C +ATOM 2075 CD2 PHE A 261 32.651 7.297 9.905 1.00 1.64 C +ATOM 2076 CE1 PHE A 261 33.157 9.840 10.898 1.00 1.64 C +ATOM 2077 CE2 PHE A 261 32.615 7.518 11.284 1.00 1.64 C +ATOM 2078 CZ PHE A 261 32.867 8.786 11.784 1.00 1.64 C +ATOM 2079 N LEU A 262 34.158 5.240 7.401 1.00 15.63 N +ATOM 2080 CA LEU A 262 34.404 3.942 8.027 1.00 15.63 C +ATOM 2081 C LEU A 262 35.836 3.495 7.867 1.00 15.63 C +ATOM 2082 O LEU A 262 36.436 3.010 8.836 1.00 15.63 O +ATOM 2083 CB LEU A 262 33.462 2.923 7.424 1.00 15.63 C +ATOM 2084 CG LEU A 262 32.027 3.393 7.628 1.00 15.63 C +ATOM 2085 CD1 LEU A 262 31.158 2.787 6.571 1.00 15.63 C +ATOM 2086 CD2 LEU A 262 31.553 3.040 9.022 1.00 15.63 C +ATOM 2087 N ILE A 263 36.375 3.633 6.656 1.00 0.02 N +ATOM 2088 CA ILE A 263 37.760 3.269 6.375 1.00 0.02 C +ATOM 2089 C ILE A 263 38.659 4.009 7.361 1.00 0.02 C +ATOM 2090 O ILE A 263 39.573 3.448 7.963 1.00 0.02 O +ATOM 2091 CB ILE A 263 38.136 3.701 4.956 1.00 0.02 C +ATOM 2092 CG1 ILE A 263 37.361 2.877 3.952 1.00 0.02 C +ATOM 2093 CG2 ILE A 263 39.611 3.555 4.734 1.00 0.02 C +ATOM 2094 CD1 ILE A 263 37.689 3.236 2.544 1.00 0.02 C +ATOM 2095 N CYS A 264 38.345 5.279 7.535 1.00 0.68 N +ATOM 2096 CA CYS A 264 39.088 6.173 8.382 1.00 0.68 C +ATOM 2097 C CYS A 264 38.882 5.909 9.844 1.00 0.68 C +ATOM 2098 O CYS A 264 39.824 6.081 10.595 1.00 0.68 O +ATOM 2099 CB CYS A 264 38.651 7.590 8.067 1.00 0.68 C +ATOM 2100 SG CYS A 264 39.838 8.849 8.435 1.00 0.68 S +ATOM 2101 N TRP A 265 37.697 5.480 10.272 1.00 2.28 N +ATOM 2102 CA TRP A 265 37.491 5.322 11.714 1.00 2.28 C +ATOM 2103 C TRP A 265 37.334 3.916 12.252 1.00 2.28 C +ATOM 2104 O TRP A 265 37.499 3.734 13.472 1.00 2.28 O +ATOM 2105 CB TRP A 265 36.302 6.178 12.158 1.00 2.28 C +ATOM 2106 CG TRP A 265 36.600 7.618 12.005 1.00 2.28 C +ATOM 2107 CD1 TRP A 265 36.220 8.441 10.980 1.00 2.28 C +ATOM 2108 CD2 TRP A 265 37.411 8.406 12.875 1.00 2.28 C +ATOM 2109 NE1 TRP A 265 36.745 9.701 11.159 1.00 2.28 N +ATOM 2110 CE2 TRP A 265 37.480 9.709 12.314 1.00 2.28 C +ATOM 2111 CE3 TRP A 265 38.093 8.142 14.074 1.00 2.28 C +ATOM 2112 CZ2 TRP A 265 38.201 10.743 12.920 1.00 2.28 C +ATOM 2113 CZ3 TRP A 265 38.805 9.159 14.664 1.00 2.28 C +ATOM 2114 CH2 TRP A 265 38.855 10.449 14.089 1.00 2.28 C +ATOM 2115 N LEU A 266 37.030 2.935 11.413 1.00 0.23 N +ATOM 2116 CA LEU A 266 36.858 1.588 11.929 1.00 0.23 C +ATOM 2117 C LEU A 266 38.126 1.071 12.571 1.00 0.23 C +ATOM 2118 O LEU A 266 38.090 0.541 13.670 1.00 0.23 O +ATOM 2119 CB LEU A 266 36.379 0.655 10.820 1.00 0.23 C +ATOM 2120 CG LEU A 266 34.875 0.324 10.837 1.00 0.23 C +ATOM 2121 CD1 LEU A 266 34.118 1.234 11.783 1.00 0.23 C +ATOM 2122 CD2 LEU A 266 34.332 0.443 9.443 1.00 0.23 C +ATOM 2123 N PRO A 267 39.272 1.228 11.912 1.00 0.00 N +ATOM 2124 CA PRO A 267 40.477 0.716 12.563 1.00 0.00 C +ATOM 2125 C PRO A 267 40.749 1.331 13.940 1.00 0.00 C +ATOM 2126 O PRO A 267 41.090 0.617 14.901 1.00 0.00 O +ATOM 2127 CB PRO A 267 41.570 0.993 11.530 1.00 0.00 C +ATOM 2128 CG PRO A 267 40.977 2.066 10.639 1.00 0.00 C +ATOM 2129 CD PRO A 267 39.549 1.698 10.546 1.00 0.00 C +ATOM 2130 N TYR A 268 40.593 2.642 14.050 1.00 0.00 N +ATOM 2131 CA TYR A 268 40.812 3.318 15.320 1.00 0.00 C +ATOM 2132 C TYR A 268 39.838 2.784 16.331 1.00 0.00 C +ATOM 2133 O TYR A 268 40.241 2.234 17.354 1.00 0.00 O +ATOM 2134 CB TYR A 268 40.571 4.818 15.178 1.00 0.00 C +ATOM 2135 CG TYR A 268 40.671 5.531 16.501 1.00 0.00 C +ATOM 2136 CD1 TYR A 268 41.894 5.629 17.154 1.00 0.00 C +ATOM 2137 CD2 TYR A 268 39.533 6.045 17.137 1.00 0.00 C +ATOM 2138 CE1 TYR A 268 41.990 6.206 18.388 1.00 0.00 C +ATOM 2139 CE2 TYR A 268 39.622 6.621 18.376 1.00 0.00 C +ATOM 2140 CZ TYR A 268 40.858 6.698 18.994 1.00 0.00 C +ATOM 2141 OH TYR A 268 40.988 7.267 20.233 1.00 0.00 O +ATOM 2142 N ALA A 269 38.554 2.972 16.040 1.00 0.83 N +ATOM 2143 CA ALA A 269 37.483 2.528 16.911 1.00 0.83 C +ATOM 2144 C ALA A 269 37.695 1.078 17.281 1.00 0.83 C +ATOM 2145 O ALA A 269 37.456 0.697 18.424 1.00 0.83 O +ATOM 2146 CB ALA A 269 36.140 2.712 16.214 1.00 0.83 C +ATOM 2147 N GLY A 270 38.147 0.274 16.327 1.00 0.34 N +ATOM 2148 CA GLY A 270 38.382 -1.136 16.605 1.00 0.34 C +ATOM 2149 C GLY A 270 39.465 -1.386 17.648 1.00 0.34 C +ATOM 2150 O GLY A 270 39.268 -2.126 18.610 1.00 0.34 O +ATOM 2151 N VAL A 271 40.623 -0.760 17.453 1.00 1.21 N +ATOM 2152 CA VAL A 271 41.699 -0.911 18.404 1.00 1.21 C +ATOM 2153 C VAL A 271 41.219 -0.377 19.725 1.00 1.21 C +ATOM 2154 O VAL A 271 41.452 -1.011 20.730 1.00 1.21 O +ATOM 2155 CB VAL A 271 42.942 -0.139 17.974 1.00 1.21 C +ATOM 2156 CG1 VAL A 271 43.997 -0.177 19.079 1.00 1.21 C +ATOM 2157 CG2 VAL A 271 43.483 -0.744 16.705 1.00 1.21 C +ATOM 2158 N ALA A 272 40.524 0.760 19.710 1.00 0.00 N +ATOM 2159 CA ALA A 272 40.018 1.405 20.924 1.00 0.00 C +ATOM 2160 C ALA A 272 39.068 0.497 21.697 1.00 0.00 C +ATOM 2161 O ALA A 272 39.143 0.418 22.933 1.00 0.00 O +ATOM 2162 CB ALA A 272 39.322 2.699 20.564 1.00 0.00 C +ATOM 2163 N PHE A 273 38.176 -0.189 21.000 1.00 1.14 N +ATOM 2164 CA PHE A 273 37.256 -1.052 21.710 1.00 1.14 C +ATOM 2165 C PHE A 273 38.005 -2.212 22.323 1.00 1.14 C +ATOM 2166 O PHE A 273 37.740 -2.602 23.468 1.00 1.14 O +ATOM 2167 CB PHE A 273 36.190 -1.596 20.778 1.00 1.14 C +ATOM 2168 CG PHE A 273 35.111 -2.324 21.500 1.00 1.14 C +ATOM 2169 CD1 PHE A 273 34.190 -1.621 22.280 1.00 1.14 C +ATOM 2170 CD2 PHE A 273 35.062 -3.712 21.478 1.00 1.14 C +ATOM 2171 CE1 PHE A 273 33.236 -2.288 23.034 1.00 1.14 C +ATOM 2172 CE2 PHE A 273 34.116 -4.394 22.224 1.00 1.14 C +ATOM 2173 CZ PHE A 273 33.199 -3.680 23.009 1.00 1.14 C +ATOM 2174 N TYR A 274 38.932 -2.769 21.553 1.00 4.81 N +ATOM 2175 CA TYR A 274 39.743 -3.895 22.002 1.00 4.81 C +ATOM 2176 C TYR A 274 40.352 -3.572 23.340 1.00 4.81 C +ATOM 2177 O TYR A 274 40.076 -4.232 24.333 1.00 4.81 O +ATOM 2178 CB TYR A 274 40.861 -4.156 21.005 1.00 4.81 C +ATOM 2179 CG TYR A 274 41.764 -5.270 21.434 1.00 4.81 C +ATOM 2180 CD1 TYR A 274 41.470 -6.583 21.111 1.00 4.81 C +ATOM 2181 CD2 TYR A 274 42.898 -5.018 22.195 1.00 4.81 C +ATOM 2182 CE1 TYR A 274 42.285 -7.634 21.534 1.00 4.81 C +ATOM 2183 CE2 TYR A 274 43.725 -6.057 22.626 1.00 4.81 C +ATOM 2184 CZ TYR A 274 43.412 -7.368 22.290 1.00 4.81 C +ATOM 2185 OH TYR A 274 44.231 -8.412 22.690 1.00 4.81 O +ATOM 2186 N ILE A 275 41.194 -2.548 23.342 1.00 2.88 N +ATOM 2187 CA ILE A 275 41.889 -2.074 24.528 1.00 2.88 C +ATOM 2188 C ILE A 275 40.926 -1.914 25.670 1.00 2.88 C +ATOM 2189 O ILE A 275 41.246 -2.288 26.793 1.00 2.88 O +ATOM 2190 CB ILE A 275 42.585 -0.709 24.245 1.00 2.88 C +ATOM 2191 CG1 ILE A 275 43.772 -0.925 23.301 1.00 2.88 C +ATOM 2192 CG2 ILE A 275 43.014 -0.048 25.556 1.00 2.88 C +ATOM 2193 CD1 ILE A 275 44.196 0.310 22.557 1.00 2.88 C +ATOM 2194 N PHE A 276 39.752 -1.356 25.396 1.00 0.02 N +ATOM 2195 CA PHE A 276 38.779 -1.147 26.457 1.00 0.02 C +ATOM 2196 C PHE A 276 38.413 -2.486 27.029 1.00 0.02 C +ATOM 2197 O PHE A 276 38.315 -2.659 28.247 1.00 0.02 O +ATOM 2198 CB PHE A 276 37.529 -0.446 25.914 1.00 0.02 C +ATOM 2199 CG PHE A 276 36.482 -0.186 26.962 1.00 0.02 C +ATOM 2200 CD1 PHE A 276 36.734 0.687 28.015 1.00 0.02 C +ATOM 2201 CD2 PHE A 276 35.245 -0.818 26.902 1.00 0.02 C +ATOM 2202 CE1 PHE A 276 35.765 0.927 28.989 1.00 0.02 C +ATOM 2203 CE2 PHE A 276 34.282 -0.577 27.873 1.00 0.02 C +ATOM 2204 CZ PHE A 276 34.544 0.296 28.915 1.00 0.02 C +ATOM 2205 N THR A 277 38.251 -3.448 26.142 1.00 0.31 N +ATOM 2206 CA THR A 277 37.876 -4.775 26.556 1.00 0.31 C +ATOM 2207 C THR A 277 39.092 -5.609 26.926 1.00 0.31 C +ATOM 2208 O THR A 277 38.947 -6.764 27.273 1.00 0.31 O +ATOM 2209 CB THR A 277 37.071 -5.447 25.451 1.00 0.31 C +ATOM 2210 OG1 THR A 277 37.854 -5.508 24.255 1.00 0.31 O +ATOM 2211 CG2 THR A 277 35.812 -4.641 25.181 1.00 0.31 C +ATOM 2212 N HIS A 278 40.289 -5.044 26.861 1.00 0.08 N +ATOM 2213 CA HIS A 278 41.483 -5.804 27.235 1.00 0.08 C +ATOM 2214 C HIS A 278 42.454 -4.871 27.939 1.00 0.08 C +ATOM 2215 O HIS A 278 43.643 -4.848 27.626 1.00 0.08 O +ATOM 2216 CB HIS A 278 42.148 -6.413 25.998 1.00 0.08 C +ATOM 2217 CG HIS A 278 41.332 -7.472 25.326 1.00 0.08 C +ATOM 2218 ND1 HIS A 278 40.135 -7.206 24.696 1.00 0.08 N +ATOM 2219 CD2 HIS A 278 41.537 -8.806 25.193 1.00 0.08 C +ATOM 2220 CE1 HIS A 278 39.639 -8.330 24.205 1.00 0.08 C +ATOM 2221 NE2 HIS A 278 40.470 -9.316 24.493 1.00 0.08 N +ATOM 2222 N GLN A 279 41.941 -4.105 28.890 1.00 0.96 N +ATOM 2223 CA GLN A 279 42.743 -3.146 29.618 1.00 0.96 C +ATOM 2224 C GLN A 279 43.864 -3.871 30.345 1.00 0.96 C +ATOM 2225 O GLN A 279 43.640 -4.936 30.873 1.00 0.96 O +ATOM 2226 CB GLN A 279 41.822 -2.400 30.587 1.00 0.96 C +ATOM 2227 CG GLN A 279 40.492 -2.055 29.930 1.00 0.96 C +ATOM 2228 CD GLN A 279 39.481 -1.432 30.868 1.00 0.96 C +ATOM 2229 OE1 GLN A 279 39.399 -0.207 30.997 1.00 0.96 O +ATOM 2230 NE2 GLN A 279 38.701 -2.275 31.531 1.00 0.96 N +ATOM 2231 N GLY A 280 45.075 -3.323 30.338 1.00 0.08 N +ATOM 2232 CA GLY A 280 46.174 -3.959 31.053 1.00 0.08 C +ATOM 2233 C GLY A 280 46.905 -5.103 30.371 1.00 0.08 C +ATOM 2234 O GLY A 280 47.923 -5.588 30.880 1.00 0.08 O +ATOM 2235 N SER A 281 46.386 -5.540 29.229 1.00 0.13 N +ATOM 2236 CA SER A 281 47.003 -6.617 28.476 1.00 0.13 C +ATOM 2237 C SER A 281 48.261 -6.115 27.827 1.00 0.13 C +ATOM 2238 O SER A 281 48.593 -4.935 27.948 1.00 0.13 O +ATOM 2239 CB SER A 281 46.048 -7.154 27.418 1.00 0.13 C +ATOM 2240 OG SER A 281 45.542 -6.112 26.606 1.00 0.13 O +ATOM 2241 N ASP A 282 48.934 -6.994 27.097 1.00 0.22 N +ATOM 2242 CA ASP A 282 50.206 -6.643 26.508 1.00 0.22 C +ATOM 2243 C ASP A 282 50.185 -6.109 25.075 1.00 0.22 C +ATOM 2244 O ASP A 282 50.551 -6.832 24.154 1.00 0.22 O +ATOM 2245 CB ASP A 282 51.134 -7.851 26.592 1.00 0.22 C +ATOM 2246 CG ASP A 282 52.594 -7.489 26.337 1.00 0.22 C +ATOM 2247 OD1 ASP A 282 52.899 -6.273 26.283 1.00 0.22 O +ATOM 2248 OD2 ASP A 282 53.436 -8.419 26.208 1.00 0.22 O +ATOM 2249 N PHE A 283 49.777 -4.861 24.871 1.00 0.02 N +ATOM 2250 CA PHE A 283 49.839 -4.277 23.535 1.00 0.02 C +ATOM 2251 C PHE A 283 50.973 -3.270 23.555 1.00 0.02 C +ATOM 2252 O PHE A 283 51.353 -2.827 24.633 1.00 0.02 O +ATOM 2253 CB PHE A 283 48.512 -3.604 23.130 1.00 0.02 C +ATOM 2254 CG PHE A 283 47.867 -2.805 24.211 1.00 0.02 C +ATOM 2255 CD1 PHE A 283 46.885 -3.368 25.008 1.00 0.02 C +ATOM 2256 CD2 PHE A 283 48.247 -1.489 24.442 1.00 0.02 C +ATOM 2257 CE1 PHE A 283 46.285 -2.635 26.028 1.00 0.02 C +ATOM 2258 CE2 PHE A 283 47.656 -0.743 25.459 1.00 0.02 C +ATOM 2259 CZ PHE A 283 46.671 -1.319 26.257 1.00 0.02 C +ATOM 2260 N GLY A 284 51.525 -2.911 22.398 1.00 0.30 N +ATOM 2261 CA GLY A 284 52.632 -1.960 22.386 1.00 0.30 C +ATOM 2262 C GLY A 284 52.278 -0.583 21.869 1.00 0.30 C +ATOM 2263 O GLY A 284 51.132 -0.349 21.492 1.00 0.30 O +ATOM 2264 N PRO A 285 53.249 0.348 21.821 1.00 0.00 N +ATOM 2265 CA PRO A 285 53.005 1.717 21.338 1.00 0.00 C +ATOM 2266 C PRO A 285 52.540 1.859 19.889 1.00 0.00 C +ATOM 2267 O PRO A 285 51.765 2.756 19.576 1.00 0.00 O +ATOM 2268 CB PRO A 285 54.348 2.423 21.593 1.00 0.00 C +ATOM 2269 CG PRO A 285 55.334 1.332 21.465 1.00 0.00 C +ATOM 2270 CD PRO A 285 54.661 0.177 22.201 1.00 0.00 C +ATOM 2271 N ILE A 286 52.996 0.976 19.010 1.00 4.36 N +ATOM 2272 CA ILE A 286 52.630 1.068 17.598 1.00 4.36 C +ATOM 2273 C ILE A 286 51.182 0.675 17.402 1.00 4.36 C +ATOM 2274 O ILE A 286 50.502 1.235 16.543 1.00 4.36 O +ATOM 2275 CB ILE A 286 53.541 0.156 16.725 1.00 4.36 C +ATOM 2276 CG1 ILE A 286 55.026 0.364 17.092 1.00 4.36 C +ATOM 2277 CG2 ILE A 286 53.308 0.454 15.256 1.00 4.36 C +ATOM 2278 CD1 ILE A 286 55.574 1.772 16.896 1.00 4.36 C +ATOM 2279 N PHE A 287 50.723 -0.275 18.208 1.00 0.23 N +ATOM 2280 CA PHE A 287 49.361 -0.774 18.140 1.00 0.23 C +ATOM 2281 C PHE A 287 48.375 0.329 17.787 1.00 0.23 C +ATOM 2282 O PHE A 287 47.716 0.250 16.741 1.00 0.23 O +ATOM 2283 CB PHE A 287 48.985 -1.418 19.481 1.00 0.23 C +ATOM 2284 CG PHE A 287 47.660 -2.146 19.470 1.00 0.23 C +ATOM 2285 CD1 PHE A 287 47.263 -2.900 18.367 1.00 0.23 C +ATOM 2286 CD2 PHE A 287 46.846 -2.148 20.600 1.00 0.23 C +ATOM 2287 CE1 PHE A 287 46.081 -3.647 18.397 1.00 0.23 C +ATOM 2288 CE2 PHE A 287 45.665 -2.891 20.644 1.00 0.23 C +ATOM 2289 CZ PHE A 287 45.286 -3.638 19.544 1.00 0.23 C +ATOM 2290 N MET A 288 48.287 1.369 18.611 1.00 0.00 N +ATOM 2291 CA MET A 288 47.308 2.441 18.378 1.00 0.00 C +ATOM 2292 C MET A 288 47.852 3.639 17.604 1.00 0.00 C +ATOM 2293 O MET A 288 47.081 4.466 17.122 1.00 0.00 O +ATOM 2294 CB MET A 288 46.718 2.892 19.721 1.00 0.00 C +ATOM 2295 CG MET A 288 45.702 4.014 19.623 1.00 0.00 C +ATOM 2296 SD MET A 288 44.301 3.691 18.533 1.00 0.00 S +ATOM 2297 CE MET A 288 42.959 3.521 19.732 1.00 0.00 C +ATOM 2298 N THR A 289 49.156 3.747 17.456 1.00 0.11 N +ATOM 2299 CA THR A 289 49.665 4.885 16.726 1.00 0.11 C +ATOM 2300 C THR A 289 49.176 4.855 15.280 1.00 0.11 C +ATOM 2301 O THR A 289 48.738 5.880 14.749 1.00 0.11 O +ATOM 2302 CB THR A 289 51.198 4.906 16.759 1.00 0.11 C +ATOM 2303 OG1 THR A 289 51.637 5.052 18.113 1.00 0.11 O +ATOM 2304 CG2 THR A 289 51.732 6.051 15.941 1.00 0.11 C +ATOM 2305 N ILE A 290 49.220 3.689 14.650 1.00 0.12 N +ATOM 2306 CA ILE A 290 48.832 3.593 13.252 1.00 0.12 C +ATOM 2307 C ILE A 290 47.394 4.019 12.952 1.00 0.12 C +ATOM 2308 O ILE A 290 47.197 4.883 12.112 1.00 0.12 O +ATOM 2309 CB ILE A 290 49.043 2.176 12.703 1.00 0.12 C +ATOM 2310 CG1 ILE A 290 50.435 1.656 13.076 1.00 0.12 C +ATOM 2311 CG2 ILE A 290 48.853 2.206 11.187 1.00 0.12 C +ATOM 2312 CD1 ILE A 290 51.532 2.352 12.374 1.00 0.12 C +ATOM 2313 N PRO A 291 46.379 3.430 13.607 1.00 0.00 N +ATOM 2314 CA PRO A 291 45.019 3.869 13.270 1.00 0.00 C +ATOM 2315 C PRO A 291 44.718 5.255 13.787 1.00 0.00 C +ATOM 2316 O PRO A 291 43.953 5.975 13.170 1.00 0.00 O +ATOM 2317 CB PRO A 291 44.139 2.802 13.915 1.00 0.00 C +ATOM 2318 CG PRO A 291 44.890 2.438 15.107 1.00 0.00 C +ATOM 2319 CD PRO A 291 46.334 2.348 14.606 1.00 0.00 C +ATOM 2320 N ALA A 292 45.324 5.625 14.912 1.00 1.31 N +ATOM 2321 CA ALA A 292 45.124 6.937 15.514 1.00 1.31 C +ATOM 2322 C ALA A 292 45.592 8.020 14.564 1.00 1.31 C +ATOM 2323 O ALA A 292 44.862 8.992 14.332 1.00 1.31 O +ATOM 2324 CB ALA A 292 45.887 7.029 16.820 1.00 1.31 C +ATOM 2325 N PHE A 293 46.797 7.870 14.013 1.00 0.11 N +ATOM 2326 CA PHE A 293 47.332 8.878 13.092 1.00 0.11 C +ATOM 2327 C PHE A 293 46.714 8.764 11.696 1.00 0.11 C +ATOM 2328 O PHE A 293 46.587 9.786 11.031 1.00 0.11 O +ATOM 2329 CB PHE A 293 48.881 8.812 13.022 1.00 0.11 C +ATOM 2330 CG PHE A 293 49.585 9.672 14.071 1.00 0.11 C +ATOM 2331 CD1 PHE A 293 49.547 9.322 15.428 1.00 0.11 C +ATOM 2332 CD2 PHE A 293 50.225 10.870 13.706 1.00 0.11 C +ATOM 2333 CE1 PHE A 293 50.126 10.153 16.400 1.00 0.11 C +ATOM 2334 CE2 PHE A 293 50.804 11.707 14.669 1.00 0.11 C +ATOM 2335 CZ PHE A 293 50.754 11.352 16.014 1.00 0.11 C +ATOM 2336 N PHE A 294 46.326 7.561 11.263 1.00 0.21 N +ATOM 2337 CA PHE A 294 45.732 7.396 9.940 1.00 0.21 C +ATOM 2338 C PHE A 294 44.389 8.078 9.893 1.00 0.21 C +ATOM 2339 O PHE A 294 44.026 8.649 8.875 1.00 0.21 O +ATOM 2340 CB PHE A 294 45.538 5.922 9.598 1.00 0.21 C +ATOM 2341 CG PHE A 294 44.619 5.700 8.433 1.00 0.21 C +ATOM 2342 CD1 PHE A 294 44.939 6.185 7.178 1.00 0.21 C +ATOM 2343 CD2 PHE A 294 43.411 5.053 8.598 1.00 0.21 C +ATOM 2344 CE1 PHE A 294 44.069 6.030 6.101 1.00 0.21 C +ATOM 2345 CE2 PHE A 294 42.530 4.893 7.519 1.00 0.21 C +ATOM 2346 CZ PHE A 294 42.865 5.383 6.275 1.00 0.21 C +ATOM 2347 N ALA A 295 43.659 8.005 11.001 1.00 10.16 N +ATOM 2348 CA ALA A 295 42.330 8.596 11.118 1.00 10.16 C +ATOM 2349 C ALA A 295 42.377 10.104 10.979 1.00 10.16 C +ATOM 2350 O ALA A 295 41.348 10.698 10.651 1.00 10.16 O +ATOM 2351 CB ALA A 295 41.707 8.218 12.446 1.00 10.16 C +ATOM 2352 N LYS A 296 43.538 10.727 11.209 1.00 0.00 N +ATOM 2353 CA LYS A 296 43.652 12.188 11.096 1.00 0.00 C +ATOM 2354 C LYS A 296 43.513 12.639 9.657 1.00 0.00 C +ATOM 2355 O LYS A 296 43.510 13.830 9.428 1.00 0.00 O +ATOM 2356 CB LYS A 296 44.959 12.672 11.641 1.00 0.00 C +ATOM 2357 CG LYS A 296 45.045 12.291 13.101 1.00 0.00 C +ATOM 2358 CD LYS A 296 46.393 12.695 13.669 1.00 0.00 C +ATOM 2359 CE LYS A 296 46.627 12.709 15.174 1.00 0.00 C +ATOM 2360 NZ LYS A 296 45.589 12.484 16.204 1.00 0.00 N +ATOM 2361 N THR A 297 43.430 11.724 8.693 1.00 0.05 N +ATOM 2362 CA THR A 297 43.258 12.147 7.309 1.00 0.05 C +ATOM 2363 C THR A 297 41.806 12.562 7.125 1.00 0.05 C +ATOM 2364 O THR A 297 41.417 13.080 6.070 1.00 0.05 O +ATOM 2365 CB THR A 297 43.636 11.025 6.313 1.00 0.05 C +ATOM 2366 OG1 THR A 297 42.953 9.810 6.657 1.00 0.05 O +ATOM 2367 CG2 THR A 297 45.127 10.805 6.321 1.00 0.05 C +ATOM 2368 N SER A 298 41.021 12.359 8.183 1.00 0.08 N +ATOM 2369 CA SER A 298 39.600 12.706 8.205 1.00 0.08 C +ATOM 2370 C SER A 298 39.404 14.208 8.059 1.00 0.08 C +ATOM 2371 O SER A 298 38.282 14.663 7.779 1.00 0.08 O +ATOM 2372 CB SER A 298 38.982 12.264 9.525 1.00 0.08 C +ATOM 2373 OG SER A 298 39.522 13.012 10.599 1.00 0.08 O +ATOM 2374 N ALA A 299 40.474 14.971 8.263 1.00 0.54 N +ATOM 2375 CA ALA A 299 40.401 16.420 8.162 1.00 0.54 C +ATOM 2376 C ALA A 299 40.595 16.845 6.742 1.00 0.54 C +ATOM 2377 O ALA A 299 40.545 18.049 6.462 1.00 0.54 O +ATOM 2378 CB ALA A 299 41.460 17.078 9.050 1.00 0.54 C +ATOM 2379 N VAL A 300 40.796 15.896 5.823 1.00 0.01 N +ATOM 2380 CA VAL A 300 41.029 16.278 4.428 1.00 0.01 C +ATOM 2381 C VAL A 300 40.230 15.502 3.380 1.00 0.01 C +ATOM 2382 O VAL A 300 39.856 16.088 2.371 1.00 0.01 O +ATOM 2383 CB VAL A 300 42.515 16.138 4.073 1.00 0.01 C +ATOM 2384 CG1 VAL A 300 43.356 16.903 5.048 1.00 0.01 C +ATOM 2385 CG2 VAL A 300 42.916 14.687 4.112 1.00 0.01 C +ATOM 2386 N TYR A 301 39.946 14.224 3.587 1.00 0.00 N +ATOM 2387 CA TYR A 301 39.275 13.498 2.521 1.00 0.00 C +ATOM 2388 C TYR A 301 37.918 14.034 2.166 1.00 0.00 C +ATOM 2389 O TYR A 301 37.562 13.923 1.014 1.00 0.00 O +ATOM 2390 CB TYR A 301 39.196 11.999 2.823 1.00 0.00 C +ATOM 2391 CG TYR A 301 38.142 11.606 3.813 1.00 0.00 C +ATOM 2392 CD1 TYR A 301 36.794 11.573 3.459 1.00 0.00 C +ATOM 2393 CD2 TYR A 301 38.488 11.311 5.121 1.00 0.00 C +ATOM 2394 CE1 TYR A 301 35.813 11.265 4.402 1.00 0.00 C +ATOM 2395 CE2 TYR A 301 37.529 10.998 6.066 1.00 0.00 C +ATOM 2396 CZ TYR A 301 36.192 10.982 5.713 1.00 0.00 C +ATOM 2397 OH TYR A 301 35.260 10.744 6.702 1.00 0.00 O +ATOM 2398 N ASN A 302 37.167 14.622 3.093 1.00 0.00 N +ATOM 2399 CA ASN A 302 35.820 15.105 2.745 1.00 0.00 C +ATOM 2400 C ASN A 302 35.813 16.060 1.561 1.00 0.00 C +ATOM 2401 O ASN A 302 35.075 15.817 0.600 1.00 0.00 O +ATOM 2402 CB ASN A 302 35.138 15.748 3.944 1.00 0.00 C +ATOM 2403 CG ASN A 302 34.535 14.720 4.876 1.00 0.00 C +ATOM 2404 OD1 ASN A 302 34.880 14.645 6.080 1.00 0.00 O +ATOM 2405 ND2 ASN A 302 33.630 13.905 4.332 1.00 0.00 N +ATOM 2406 N PRO A 303 36.606 17.153 1.604 1.00 0.00 N +ATOM 2407 CA PRO A 303 36.655 18.118 0.491 1.00 0.00 C +ATOM 2408 C PRO A 303 37.106 17.498 -0.826 1.00 0.00 C +ATOM 2409 O PRO A 303 36.653 17.916 -1.893 1.00 0.00 O +ATOM 2410 CB PRO A 303 37.646 19.170 0.987 1.00 0.00 C +ATOM 2411 CG PRO A 303 37.463 19.133 2.449 1.00 0.00 C +ATOM 2412 CD PRO A 303 37.382 17.657 2.751 1.00 0.00 C +ATOM 2413 N VAL A 304 37.990 16.509 -0.757 1.00 0.68 N +ATOM 2414 CA VAL A 304 38.475 15.873 -1.970 1.00 0.68 C +ATOM 2415 C VAL A 304 37.340 15.141 -2.654 1.00 0.68 C +ATOM 2416 O VAL A 304 37.148 15.275 -3.856 1.00 0.68 O +ATOM 2417 CB VAL A 304 39.641 14.893 -1.659 1.00 0.68 C +ATOM 2418 CG1 VAL A 304 40.173 14.273 -2.937 1.00 0.68 C +ATOM 2419 CG2 VAL A 304 40.755 15.640 -0.966 1.00 0.68 C +ATOM 2420 N ILE A 305 36.580 14.379 -1.884 1.00 0.00 N +ATOM 2421 CA ILE A 305 35.472 13.616 -2.432 1.00 0.00 C +ATOM 2422 C ILE A 305 34.473 14.568 -3.045 1.00 0.00 C +ATOM 2423 O ILE A 305 33.898 14.300 -4.097 1.00 0.00 O +ATOM 2424 CB ILE A 305 34.794 12.781 -1.323 1.00 0.00 C +ATOM 2425 CG1 ILE A 305 35.799 11.781 -0.742 1.00 0.00 C +ATOM 2426 CG2 ILE A 305 33.610 12.040 -1.884 1.00 0.00 C +ATOM 2427 CD1 ILE A 305 35.222 10.899 0.311 1.00 0.00 C +ATOM 2428 N TYR A 306 34.301 15.701 -2.387 1.00 0.00 N +ATOM 2429 CA TYR A 306 33.358 16.733 -2.786 1.00 0.00 C +ATOM 2430 C TYR A 306 33.724 17.343 -4.130 1.00 0.00 C +ATOM 2431 O TYR A 306 32.904 17.387 -5.036 1.00 0.00 O +ATOM 2432 CB TYR A 306 33.357 17.786 -1.682 1.00 0.00 C +ATOM 2433 CG TYR A 306 32.378 18.934 -1.810 1.00 0.00 C +ATOM 2434 CD1 TYR A 306 31.069 18.738 -2.257 1.00 0.00 C +ATOM 2435 CD2 TYR A 306 32.743 20.210 -1.380 1.00 0.00 C +ATOM 2436 CE1 TYR A 306 30.150 19.800 -2.264 1.00 0.00 C +ATOM 2437 CE2 TYR A 306 31.848 21.265 -1.373 1.00 0.00 C +ATOM 2438 CZ TYR A 306 30.557 21.065 -1.812 1.00 0.00 C +ATOM 2439 OH TYR A 306 29.689 22.139 -1.767 1.00 0.00 O +ATOM 2440 N ILE A 307 34.954 17.811 -4.257 1.00 0.12 N +ATOM 2441 CA ILE A 307 35.397 18.432 -5.484 1.00 0.12 C +ATOM 2442 C ILE A 307 35.446 17.432 -6.633 1.00 0.12 C +ATOM 2443 O ILE A 307 35.173 17.803 -7.781 1.00 0.12 O +ATOM 2444 CB ILE A 307 36.752 19.050 -5.253 1.00 0.12 C +ATOM 2445 CG1 ILE A 307 36.637 19.996 -4.068 1.00 0.12 C +ATOM 2446 CG2 ILE A 307 37.219 19.781 -6.488 1.00 0.12 C +ATOM 2447 CD1 ILE A 307 37.939 20.413 -3.501 1.00 0.12 C +ATOM 2448 N MET A 308 35.767 16.175 -6.348 1.00 0.07 N +ATOM 2449 CA MET A 308 35.831 15.174 -7.407 1.00 0.07 C +ATOM 2450 C MET A 308 34.445 14.653 -7.776 1.00 0.07 C +ATOM 2451 O MET A 308 34.238 14.200 -8.919 1.00 0.07 O +ATOM 2452 CB MET A 308 36.707 13.990 -6.980 1.00 0.07 C +ATOM 2453 CG MET A 308 38.065 14.374 -6.431 1.00 0.07 C +ATOM 2454 SD MET A 308 38.902 15.651 -7.396 1.00 0.07 S +ATOM 2455 CE MET A 308 38.880 14.902 -8.936 1.00 0.07 C +ATOM 2456 N MET A 309 33.499 14.708 -6.838 1.00 0.52 N +ATOM 2457 CA MET A 309 32.157 14.172 -7.101 1.00 0.52 C +ATOM 2458 C MET A 309 31.077 15.249 -7.203 1.00 0.52 C +ATOM 2459 O MET A 309 29.900 14.959 -6.986 1.00 0.52 O +ATOM 2460 CB MET A 309 31.773 13.147 -6.024 1.00 0.52 C +ATOM 2461 CG MET A 309 32.688 11.931 -5.963 1.00 0.52 C +ATOM 2462 SD MET A 309 32.050 10.663 -4.856 1.00 0.52 S +ATOM 2463 CE MET A 309 30.866 9.882 -5.921 1.00 0.52 C +ATOM 2464 N ASN A 310 31.455 16.474 -7.539 1.00 0.00 N +ATOM 2465 CA ASN A 310 30.458 17.511 -7.660 1.00 0.00 C +ATOM 2466 C ASN A 310 30.859 18.472 -8.729 1.00 0.00 C +ATOM 2467 O ASN A 310 31.595 19.425 -8.455 1.00 0.00 O +ATOM 2468 CB ASN A 310 30.307 18.224 -6.348 1.00 0.00 C +ATOM 2469 CG ASN A 310 28.915 18.685 -6.128 1.00 0.00 C +ATOM 2470 OD1 ASN A 310 28.577 19.849 -6.372 1.00 0.00 O +ATOM 2471 ND2 ASN A 310 28.067 17.764 -5.680 1.00 0.00 N +ATOM 2472 N LYS A 311 30.371 18.224 -9.944 1.00 0.15 N +ATOM 2473 CA LYS A 311 30.693 19.042 -11.105 1.00 0.15 C +ATOM 2474 C LYS A 311 30.421 20.504 -10.825 1.00 0.15 C +ATOM 2475 O LYS A 311 31.208 21.347 -11.255 1.00 0.15 O +ATOM 2476 CB LYS A 311 29.879 18.577 -12.320 1.00 0.15 C +ATOM 2477 CG LYS A 311 30.543 18.809 -13.696 1.00 0.15 C +ATOM 2478 CD LYS A 311 31.240 17.531 -14.257 1.00 0.15 C +ATOM 2479 CE LYS A 311 31.672 17.659 -15.744 1.00 0.15 C +ATOM 2480 NZ LYS A 311 32.651 18.760 -15.986 1.00 0.15 N +ATOM 2481 N GLN A 312 29.345 20.815 -10.099 1.00 0.00 N +ATOM 2482 CA GLN A 312 29.012 22.211 -9.821 1.00 0.00 C +ATOM 2483 C GLN A 312 29.961 22.877 -8.862 1.00 0.00 C +ATOM 2484 O GLN A 312 30.321 24.020 -9.094 1.00 0.00 O +ATOM 2485 CB GLN A 312 27.604 22.366 -9.265 1.00 0.00 C +ATOM 2486 CG GLN A 312 27.317 23.836 -8.887 1.00 0.00 C +ATOM 2487 CD GLN A 312 25.913 24.089 -8.310 1.00 0.00 C +ATOM 2488 OE1 GLN A 312 25.533 23.541 -7.262 1.00 0.00 O +ATOM 2489 NE2 GLN A 312 25.143 24.935 -8.991 1.00 0.00 N +ATOM 2490 N PHE A 313 30.348 22.213 -7.777 1.00 0.00 N +ATOM 2491 CA PHE A 313 31.258 22.840 -6.832 1.00 0.00 C +ATOM 2492 C PHE A 313 32.636 22.944 -7.431 1.00 0.00 C +ATOM 2493 O PHE A 313 33.309 23.938 -7.231 1.00 0.00 O +ATOM 2494 CB PHE A 313 31.322 22.043 -5.549 1.00 0.00 C +ATOM 2495 CG PHE A 313 32.146 22.694 -4.503 1.00 0.00 C +ATOM 2496 CD1 PHE A 313 31.658 23.793 -3.810 1.00 0.00 C +ATOM 2497 CD2 PHE A 313 33.438 22.242 -4.239 1.00 0.00 C +ATOM 2498 CE1 PHE A 313 32.444 24.440 -2.866 1.00 0.00 C +ATOM 2499 CE2 PHE A 313 34.238 22.878 -3.296 1.00 0.00 C +ATOM 2500 CZ PHE A 313 33.742 23.980 -2.607 1.00 0.00 C +ATOM 2501 N ARG A 314 33.049 21.912 -8.159 1.00 0.04 N +ATOM 2502 CA ARG A 314 34.356 21.887 -8.811 1.00 0.04 C +ATOM 2503 C ARG A 314 34.483 23.074 -9.754 1.00 0.04 C +ATOM 2504 O ARG A 314 35.515 23.731 -9.806 1.00 0.04 O +ATOM 2505 CB ARG A 314 34.513 20.582 -9.589 1.00 0.04 C +ATOM 2506 CG ARG A 314 35.866 20.396 -10.220 1.00 0.04 C +ATOM 2507 CD ARG A 314 36.034 18.952 -10.647 1.00 0.04 C +ATOM 2508 NE ARG A 314 35.141 18.526 -11.725 1.00 0.04 N +ATOM 2509 CZ ARG A 314 34.273 17.521 -11.623 1.00 0.04 C +ATOM 2510 NH1 ARG A 314 34.155 16.845 -10.487 1.00 0.04 N +ATOM 2511 NH2 ARG A 314 33.564 17.142 -12.676 1.00 0.04 N +ATOM 2512 N ASN A 315 33.414 23.330 -10.493 1.00 0.01 N +ATOM 2513 CA ASN A 315 33.347 24.426 -11.444 1.00 0.01 C +ATOM 2514 C ASN A 315 33.394 25.754 -10.746 1.00 0.01 C +ATOM 2515 O ASN A 315 34.075 26.657 -11.213 1.00 0.01 O +ATOM 2516 CB ASN A 315 32.060 24.327 -12.233 1.00 0.01 C +ATOM 2517 CG ASN A 315 32.256 23.663 -13.544 1.00 0.01 C +ATOM 2518 OD1 ASN A 315 32.756 24.282 -14.477 1.00 0.01 O +ATOM 2519 ND2 ASN A 315 31.890 22.386 -13.633 1.00 0.01 N +ATOM 2520 N CYS A 316 32.653 25.887 -9.650 1.00 0.00 N +ATOM 2521 CA CYS A 316 32.641 27.139 -8.890 1.00 0.00 C +ATOM 2522 C CYS A 316 34.029 27.388 -8.336 1.00 0.00 C +ATOM 2523 O CYS A 316 34.420 28.542 -8.148 1.00 0.00 O +ATOM 2524 CB CYS A 316 31.617 27.089 -7.737 1.00 0.00 C +ATOM 2525 SG CYS A 316 29.919 27.553 -8.199 1.00 0.00 S +ATOM 2526 N MET A 317 34.768 26.311 -8.084 1.00 5.82 N +ATOM 2527 CA MET A 317 36.122 26.409 -7.562 1.00 5.82 C +ATOM 2528 C MET A 317 37.060 26.823 -8.689 1.00 5.82 C +ATOM 2529 O MET A 317 37.882 27.718 -8.503 1.00 5.82 O +ATOM 2530 CB MET A 317 36.547 25.062 -6.994 1.00 5.82 C +ATOM 2531 CG MET A 317 37.944 25.065 -6.417 1.00 5.82 C +ATOM 2532 SD MET A 317 38.527 23.397 -6.188 1.00 5.82 S +ATOM 2533 CE MET A 317 38.980 22.924 -8.005 1.00 5.82 C +ATOM 2534 N VAL A 318 36.941 26.167 -9.844 1.00 0.14 N +ATOM 2535 CA VAL A 318 37.772 26.504 -10.988 1.00 0.14 C +ATOM 2536 C VAL A 318 37.479 27.929 -11.342 1.00 0.14 C +ATOM 2537 O VAL A 318 38.385 28.688 -11.614 1.00 0.14 O +ATOM 2538 CB VAL A 318 37.460 25.640 -12.195 1.00 0.14 C +ATOM 2539 CG1 VAL A 318 38.290 26.080 -13.355 1.00 0.14 C +ATOM 2540 CG2 VAL A 318 37.745 24.206 -11.875 1.00 0.14 C +ATOM 2541 N THR A 319 36.205 28.299 -11.330 1.00 0.06 N +ATOM 2542 CA THR A 319 35.818 29.670 -11.632 1.00 0.06 C +ATOM 2543 C THR A 319 36.507 30.611 -10.667 1.00 0.06 C +ATOM 2544 O THR A 319 37.049 31.616 -11.091 1.00 0.06 O +ATOM 2545 CB THR A 319 34.302 29.857 -11.513 1.00 0.06 C +ATOM 2546 OG1 THR A 319 33.664 29.357 -12.693 1.00 0.06 O +ATOM 2547 CG2 THR A 319 33.965 31.311 -11.330 1.00 0.06 C +ATOM 2548 N THR A 320 36.486 30.280 -9.377 1.00 0.67 N +ATOM 2549 CA THR A 320 37.111 31.102 -8.340 1.00 0.67 C +ATOM 2550 C THR A 320 38.619 31.138 -8.531 1.00 0.67 C +ATOM 2551 O THR A 320 39.179 32.218 -8.667 1.00 0.67 O +ATOM 2552 CB THR A 320 36.794 30.550 -6.928 1.00 0.67 C +ATOM 2553 OG1 THR A 320 35.377 30.532 -6.729 1.00 0.67 O +ATOM 2554 CG2 THR A 320 37.410 31.422 -5.855 1.00 0.67 C +ATOM 2555 N LEU A 321 39.267 29.971 -8.535 1.00 0.02 N +ATOM 2556 CA LEU A 321 40.718 29.891 -8.713 1.00 0.02 C +ATOM 2557 C LEU A 321 41.160 30.667 -9.938 1.00 0.02 C +ATOM 2558 O LEU A 321 42.120 31.424 -9.832 1.00 0.02 O +ATOM 2559 CB LEU A 321 41.178 28.435 -8.847 1.00 0.02 C +ATOM 2560 CG LEU A 321 41.314 27.582 -7.588 1.00 0.02 C +ATOM 2561 CD1 LEU A 321 41.736 26.185 -7.974 1.00 0.02 C +ATOM 2562 CD2 LEU A 321 42.334 28.181 -6.669 1.00 0.02 C +ATOM 2563 N CYS A 322 40.482 30.487 -11.078 1.00 0.04 N +ATOM 2564 CA CYS A 322 40.835 31.190 -12.319 1.00 0.04 C +ATOM 2565 C CYS A 322 40.571 32.661 -12.178 1.00 0.04 C +ATOM 2566 O CYS A 322 40.216 33.310 -13.153 1.00 0.04 O +ATOM 2567 CB CYS A 322 40.095 30.680 -13.558 1.00 0.04 C +ATOM 2568 SG CYS A 322 40.200 28.891 -13.832 1.00 0.04 S +ATOM 2569 N CYS A 323 40.733 33.157 -10.951 1.00 9.17 N +ATOM 2570 CA CYS A 323 40.564 34.565 -10.579 1.00 9.17 C +ATOM 2571 C CYS A 323 39.303 35.137 -11.195 1.00 9.17 C +ATOM 2572 O CYS A 323 38.373 35.452 -10.462 1.00 9.17 O +ATOM 2573 CB CYS A 323 41.787 35.378 -11.000 1.00 9.17 C +ATOM 2574 SG CYS A 323 43.328 34.809 -10.190 1.00 9.17 S +ATOM 2575 N GLY A 324 39.267 35.286 -12.512 1.00 0.12 N +ATOM 2576 CA GLY A 324 38.075 35.806 -13.153 1.00 0.12 C +ATOM 2577 C GLY A 324 36.999 34.739 -13.174 1.00 0.12 C +ATOM 2578 O GLY A 324 36.445 34.393 -12.142 1.00 0.12 O +ATOM 2579 N LYS A 325 36.701 34.215 -14.354 1.00 0.68 N +ATOM 2580 CA LYS A 325 35.694 33.172 -14.481 1.00 0.68 C +ATOM 2581 C LYS A 325 36.211 32.128 -15.437 1.00 0.68 C +ATOM 2582 O LYS A 325 37.259 31.515 -15.173 1.00 0.68 O +ATOM 2583 CB LYS A 325 34.364 33.744 -15.013 1.00 0.68 C +ATOM 2584 CG LYS A 325 33.211 32.729 -15.015 1.00 0.68 C +ATOM 2585 CD LYS A 325 32.142 33.025 -16.055 1.00 0.68 C +ATOM 2586 CE LYS A 325 31.171 31.867 -16.090 1.00 0.68 C +ATOM 2587 NZ LYS A 325 30.294 31.896 -17.263 1.00 0.68 N +ATOM 2588 N ASN A 326 35.494 31.948 -16.548 1.00 3.64 N +ATOM 2589 CA ASN A 326 35.859 30.966 -17.554 1.00 3.64 C +ATOM 2590 C ASN A 326 35.984 29.629 -16.849 1.00 3.64 C +ATOM 2591 O ASN A 326 37.095 29.134 -16.639 1.00 3.64 O +ATOM 2592 CB ASN A 326 37.176 31.381 -18.223 1.00 3.64 C +ATOM 2593 CG ASN A 326 37.681 30.359 -19.216 1.00 3.64 C +ATOM 2594 OD1 ASN A 326 36.927 29.836 -20.045 1.00 3.64 O +ATOM 2595 ND2 ASN A 326 38.974 30.079 -19.150 1.00 3.64 N +ATOM 2596 N PRO A 327 34.836 29.040 -16.446 1.00 0.00 N +ATOM 2597 CA PRO A 327 34.801 27.751 -15.748 1.00 0.00 C +ATOM 2598 C PRO A 327 35.182 26.585 -16.647 1.00 0.00 C +ATOM 2599 O PRO A 327 34.724 25.464 -16.401 1.00 0.00 O +ATOM 2600 CB PRO A 327 33.354 27.667 -15.257 1.00 0.00 C +ATOM 2601 CG PRO A 327 32.602 28.328 -16.363 1.00 0.00 C +ATOM 2602 CD PRO A 327 33.467 29.546 -16.671 1.00 0.00 C +ATOM 2603 N LEU A 328 36.009 26.854 -17.664 1.00 0.00 N +ATOM 2604 CA LEU A 328 36.481 25.848 -18.630 1.00 0.00 C +ATOM 2605 C LEU A 328 35.712 24.543 -18.524 1.00 0.00 C +ATOM 2606 O LEU A 328 34.593 24.452 -19.045 1.00 0.00 O +ATOM 2607 CB LEU A 328 37.974 25.556 -18.431 1.00 0.00 C +ATOM 2608 CG LEU A 328 38.959 26.683 -18.722 1.00 0.00 C +ATOM 2609 CD1 LEU A 328 38.513 27.398 -19.998 1.00 0.00 C +ATOM 2610 CD2 LEU A 328 39.028 27.639 -17.543 1.00 0.00 C +ATOM 2611 N GLY A 329 36.325 23.554 -17.860 1.00 0.02 N +ATOM 2612 CA GLY A 329 35.736 22.234 -17.668 1.00 0.02 C +ATOM 2613 C GLY A 329 34.661 21.866 -18.668 1.00 0.02 C +ATOM 2614 O GLY A 329 34.807 22.040 -19.884 1.00 0.02 O +ATOM 2615 N ASP A 330 33.580 21.314 -18.140 1.00 0.04 N +ATOM 2616 CA ASP A 330 32.422 20.972 -18.943 1.00 0.04 C +ATOM 2617 C ASP A 330 31.262 21.713 -18.301 1.00 0.04 C +ATOM 2618 O ASP A 330 30.115 21.537 -18.711 1.00 0.04 O +ATOM 2619 CB ASP A 330 32.160 19.458 -18.910 1.00 0.04 C +ATOM 2620 CG ASP A 330 33.254 18.660 -19.582 1.00 0.04 C +ATOM 2621 OD1 ASP A 330 33.060 17.443 -19.786 1.00 0.04 O +ATOM 2622 OD2 ASP A 330 34.308 19.246 -19.902 1.00 0.04 O +ATOM 2623 N ASP A 331 31.589 22.571 -17.325 1.00 0.09 N +ATOM 2624 CA ASP A 331 30.606 23.326 -16.527 1.00 0.09 C +ATOM 2625 C ASP A 331 29.782 22.244 -15.803 1.00 0.09 C +ATOM 2626 O ASP A 331 30.336 21.164 -15.521 1.00 0.09 O +ATOM 2627 CB ASP A 331 29.707 24.230 -17.425 1.00 0.09 C +ATOM 2628 CG ASP A 331 29.906 25.761 -17.167 1.00 0.09 C +ATOM 2629 OD1 ASP A 331 29.532 26.273 -16.079 1.00 0.09 O +ATOM 2630 OD2 ASP A 331 30.429 26.459 -18.072 1.00 0.09 O +ATOM 2631 N GLU A 332 28.512 22.508 -15.489 1.00 0.00 N +ATOM 2632 CA GLU A 332 27.659 21.497 -14.849 1.00 0.00 C +ATOM 2633 C GLU A 332 26.561 21.132 -15.857 1.00 0.00 C +ATOM 2634 O GLU A 332 25.743 20.238 -15.597 1.00 0.00 O +ATOM 2635 CB GLU A 332 27.029 22.051 -13.555 1.00 0.00 C +ATOM 2636 CG GLU A 332 26.759 21.014 -12.430 1.00 0.00 C +ATOM 2637 CD GLU A 332 25.518 20.120 -12.639 1.00 0.00 C +ATOM 2638 OE1 GLU A 332 25.547 19.212 -13.496 1.00 0.00 O +ATOM 2639 OE2 GLU A 332 24.507 20.320 -11.931 1.00 0.00 O +ATOM 2640 N ALA A 333 26.571 21.813 -17.011 1.00 0.23 N +ATOM 2641 CA ALA A 333 25.571 21.617 -18.070 1.00 0.23 C +ATOM 2642 C ALA A 333 24.268 22.148 -17.532 1.00 0.23 C +ATOM 2643 O ALA A 333 23.406 22.622 -18.286 1.00 0.23 O +ATOM 2644 CB ALA A 333 25.433 20.131 -18.426 1.00 0.23 C +ATOM 2645 N SER A 334 24.155 22.058 -16.208 1.00 0.08 N +ATOM 2646 CA SER A 334 23.014 22.531 -15.448 1.00 0.08 C +ATOM 2647 C SER A 334 23.439 23.807 -14.700 1.00 0.08 C +ATOM 2648 O SER A 334 24.455 24.425 -15.055 1.00 0.08 O +ATOM 2649 CB SER A 334 22.542 21.437 -14.469 1.00 0.08 C +ATOM 2650 OG SER A 334 22.085 20.277 -15.158 1.00 0.08 O +ATOM 2651 N THR A 335 22.676 24.184 -13.678 1.00 0.40 N +ATOM 2652 CA THR A 335 22.926 25.397 -12.897 1.00 0.40 C +ATOM 2653 C THR A 335 24.411 25.674 -12.639 1.00 0.40 C +ATOM 2654 O THR A 335 25.266 24.788 -12.743 1.00 0.40 O +ATOM 2655 CB THR A 335 22.144 25.360 -11.526 1.00 0.40 C +ATOM 2656 OG1 THR A 335 22.424 24.137 -10.830 1.00 0.40 O +ATOM 2657 CG2 THR A 335 20.631 25.458 -11.757 1.00 0.40 C +ATOM 2658 N THR A 336 24.694 26.932 -12.321 1.00 0.06 N +ATOM 2659 CA THR A 336 26.035 27.407 -12.008 1.00 0.06 C +ATOM 2660 C THR A 336 25.882 28.333 -10.798 1.00 0.06 C +ATOM 2661 O THR A 336 24.785 28.379 -10.245 1.00 0.06 O +ATOM 2662 CB THR A 336 26.639 28.160 -13.227 1.00 0.06 C +ATOM 2663 OG1 THR A 336 25.574 28.650 -14.057 1.00 0.06 O +ATOM 2664 CG2 THR A 336 27.548 27.224 -14.052 1.00 0.06 C +ATOM 2665 N VAL A 337 26.935 29.031 -10.364 1.00 2.06 N +ATOM 2666 CA VAL A 337 26.817 29.941 -9.218 1.00 2.06 C +ATOM 2667 C VAL A 337 28.100 30.654 -8.913 1.00 2.06 C +ATOM 2668 O VAL A 337 29.163 30.150 -9.169 1.00 2.06 O +ATOM 2669 CB VAL A 337 26.356 29.219 -7.942 1.00 2.06 C +ATOM 2670 CG1 VAL A 337 26.965 27.842 -7.856 1.00 2.06 C +ATOM 2671 CG2 VAL A 337 26.749 30.034 -6.732 1.00 2.06 C +ATOM 2672 N SER A 338 27.975 31.842 -8.358 1.00 0.00 N +ATOM 2673 CA SER A 338 29.121 32.627 -8.015 1.00 0.00 C +ATOM 2674 C SER A 338 28.666 33.879 -7.334 1.00 0.00 C +ATOM 2675 O SER A 338 27.669 33.861 -6.603 1.00 0.00 O +ATOM 2676 CB SER A 338 29.886 32.983 -9.260 1.00 0.00 C +ATOM 2677 OG SER A 338 29.890 31.886 -10.125 1.00 0.00 O +ATOM 2678 N LYS A 339 29.378 34.974 -7.594 1.00 0.01 N +ATOM 2679 CA LYS A 339 29.087 36.275 -6.979 1.00 0.01 C +ATOM 2680 C LYS A 339 28.468 37.316 -7.975 1.00 0.01 C +ATOM 2681 O LYS A 339 27.272 37.616 -7.842 1.00 0.01 O +ATOM 2682 CB LYS A 339 30.382 36.821 -6.353 1.00 0.01 C +ATOM 2683 CG LYS A 339 30.197 37.906 -5.284 1.00 0.01 C +ATOM 2684 CD LYS A 339 31.536 38.579 -4.950 1.00 0.01 C +ATOM 2685 CE LYS A 339 32.136 39.250 -6.189 1.00 0.01 C +ATOM 2686 NZ LYS A 339 33.504 39.758 -5.943 1.00 0.01 N +ATOM 2687 N THR A 340 29.242 37.855 -8.933 1.00 0.10 N +ATOM 2688 CA THR A 340 28.720 38.859 -9.890 1.00 0.10 C +ATOM 2689 C THR A 340 28.493 38.294 -11.308 1.00 0.10 C +ATOM 2690 O THR A 340 27.836 38.967 -12.141 1.00 0.10 O +ATOM 2691 CB THR A 340 29.668 40.091 -10.015 1.00 0.10 C +ATOM 2692 OG1 THR A 340 29.128 41.025 -10.969 1.00 0.10 O +ATOM 2693 CG2 THR A 340 31.065 39.649 -10.468 1.00 0.10 C +ATOM 2694 N GLU A 341 29.021 37.095 -11.584 1.00 0.06 N +ATOM 2695 CA GLU A 341 28.869 36.459 -12.904 1.00 0.06 C +ATOM 2696 C GLU A 341 27.427 36.009 -13.134 1.00 0.06 C +ATOM 2697 O GLU A 341 26.484 36.834 -13.076 1.00 0.06 O +ATOM 2698 CB GLU A 341 29.816 35.239 -13.065 1.00 0.06 C +ATOM 2699 CG GLU A 341 29.454 33.984 -12.239 1.00 0.06 C +ATOM 2700 CD GLU A 341 29.787 32.683 -12.959 1.00 0.06 C +ATOM 2701 OE1 GLU A 341 29.342 32.502 -14.109 1.00 0.06 O +ATOM 2702 OE2 GLU A 341 30.488 31.836 -12.380 1.00 0.06 O +ATOM 2703 N THR A 342 27.261 34.708 -13.381 1.00 0.04 N +ATOM 2704 CA THR A 342 25.959 34.127 -13.647 1.00 0.04 C +ATOM 2705 C THR A 342 25.361 33.508 -12.405 1.00 0.04 C +ATOM 2706 O THR A 342 24.849 32.398 -12.462 1.00 0.04 O +ATOM 2707 CB THR A 342 26.054 33.075 -14.756 1.00 0.04 C +ATOM 2708 OG1 THR A 342 24.733 32.751 -15.205 1.00 0.04 O +ATOM 2709 CG2 THR A 342 26.773 31.818 -14.253 1.00 0.04 C +ATOM 2710 N SER A 343 25.429 34.223 -11.285 1.00 0.00 N +ATOM 2711 CA SER A 343 24.839 33.761 -10.030 1.00 0.00 C +ATOM 2712 C SER A 343 23.386 34.238 -10.067 1.00 0.00 C +ATOM 2713 O SER A 343 22.671 34.251 -9.054 1.00 0.00 O +ATOM 2714 CB SER A 343 25.590 34.366 -8.837 1.00 0.00 C +ATOM 2715 OG SER A 343 25.673 33.450 -7.759 1.00 0.00 O +ATOM 2716 N GLN A 344 22.995 34.628 -11.283 1.00 0.00 N +ATOM 2717 CA GLN A 344 21.674 35.126 -11.680 1.00 0.00 C +ATOM 2718 C GLN A 344 20.561 34.171 -11.212 1.00 0.00 C +ATOM 2719 O GLN A 344 20.414 33.099 -11.771 1.00 0.00 O +ATOM 2720 CB GLN A 344 21.679 35.317 -13.235 1.00 0.00 C +ATOM 2721 CG GLN A 344 22.243 34.098 -14.123 1.00 0.00 C +ATOM 2722 CD GLN A 344 22.818 34.489 -15.523 1.00 0.00 C +ATOM 2723 OE1 GLN A 344 23.904 35.031 -15.620 1.00 0.00 O +ATOM 2724 NE2 GLN A 344 22.083 34.199 -16.577 1.00 0.00 N +ATOM 2725 N VAL A 345 19.792 34.554 -10.192 1.00 0.00 N +ATOM 2726 CA VAL A 345 18.710 33.707 -9.658 1.00 0.00 C +ATOM 2727 C VAL A 345 17.825 33.182 -10.774 1.00 0.00 C +ATOM 2728 O VAL A 345 17.412 33.949 -11.632 1.00 0.00 O +ATOM 2729 CB VAL A 345 17.825 34.479 -8.643 1.00 0.00 C +ATOM 2730 CG1 VAL A 345 16.766 33.556 -8.052 1.00 0.00 C +ATOM 2731 CG2 VAL A 345 18.698 35.069 -7.534 1.00 0.00 C +ATOM 2732 N ALA A 346 17.514 31.888 -10.754 1.00 0.01 N +ATOM 2733 CA ALA A 346 16.702 31.296 -11.813 1.00 0.01 C +ATOM 2734 C ALA A 346 15.798 30.182 -11.306 1.00 0.01 C +ATOM 2735 O ALA A 346 15.931 29.045 -11.776 1.00 0.01 O +ATOM 2736 CB ALA A 346 17.613 30.754 -12.905 1.00 0.01 C +ATOM 2737 N PRO A 347 14.880 30.470 -10.353 1.00 0.02 N +ATOM 2738 CA PRO A 347 13.990 29.406 -9.855 1.00 0.02 C +ATOM 2739 C PRO A 347 12.822 29.263 -10.812 1.00 0.02 C +ATOM 2740 O PRO A 347 12.970 28.774 -11.939 1.00 0.02 O +ATOM 2741 CB PRO A 347 13.525 29.932 -8.482 1.00 0.02 C +ATOM 2742 CG PRO A 347 14.470 31.080 -8.159 1.00 0.02 C +ATOM 2743 CD PRO A 347 14.749 31.675 -9.518 1.00 0.02 C +ATOM 2744 N ALA A 348 11.664 29.716 -10.347 1.00 0.00 N +ATOM 2745 CA ALA A 348 10.436 29.683 -11.129 1.00 0.00 C +ATOM 2746 C ALA A 348 9.879 31.115 -11.234 1.00 0.00 C +ATOM 2747 O ALA A 348 10.409 32.002 -10.511 1.00 0.00 O +ATOM 2748 CB ALA A 348 9.412 28.746 -10.453 1.00 0.00 C +ATOM 2749 OXT ALA A 348 8.926 31.344 -12.029 1.00 0.00 O +TER 2750 ALA A 348 +HETATM 2751 C ACE B 0 44.730 -8.996 -33.269 1.00 0.00 C +HETATM 2752 O ACE B 0 45.505 -9.527 -32.467 1.00 0.00 O +HETATM 2753 CH3 ACE B 0 43.647 -9.830 -33.937 1.00 0.00 C +ATOM 2754 N MET B 1 44.765 -7.685 -33.605 1.00 0.01 N +ATOM 2755 CA MET B 1 45.712 -6.713 -33.052 1.00 0.01 C +ATOM 2756 C MET B 1 45.459 -6.536 -31.566 1.00 0.01 C +ATOM 2757 O MET B 1 44.313 -6.384 -31.155 1.00 0.01 O +ATOM 2758 CB MET B 1 45.546 -5.379 -33.774 1.00 0.01 C +ATOM 2759 CG MET B 1 45.831 -5.455 -35.273 1.00 0.01 C +ATOM 2760 SD MET B 1 47.511 -6.037 -35.632 1.00 0.01 S +ATOM 2761 CE MET B 1 48.501 -4.605 -35.222 1.00 0.01 C +ATOM 2762 N ASN B 2 46.518 -6.540 -30.763 1.00 0.34 N +ATOM 2763 CA ASN B 2 46.351 -6.416 -29.319 1.00 0.34 C +ATOM 2764 C ASN B 2 45.939 -5.027 -28.889 1.00 0.34 C +ATOM 2765 O ASN B 2 45.072 -4.911 -28.036 1.00 0.34 O +ATOM 2766 CB ASN B 2 47.615 -6.856 -28.604 1.00 0.34 C +ATOM 2767 CG ASN B 2 47.876 -8.311 -28.797 1.00 0.34 C +ATOM 2768 OD1 ASN B 2 47.003 -9.136 -28.565 1.00 0.34 O +ATOM 2769 ND2 ASN B 2 49.080 -8.633 -29.242 1.00 0.34 N +ATOM 2770 N GLY B 3 46.545 -3.985 -29.442 1.00 0.84 N +ATOM 2771 CA GLY B 3 46.143 -2.649 -29.052 1.00 0.84 C +ATOM 2772 C GLY B 3 45.369 -2.044 -30.200 1.00 0.84 C +ATOM 2773 O GLY B 3 45.068 -2.736 -31.161 1.00 0.84 O +ATOM 2774 N THR B 4 45.034 -0.763 -30.101 1.00 0.22 N +ATOM 2775 CA THR B 4 44.330 -0.069 -31.174 1.00 0.22 C +ATOM 2776 C THR B 4 45.116 1.187 -31.482 1.00 0.22 C +ATOM 2777 O THR B 4 45.115 2.112 -30.704 1.00 0.22 O +ATOM 2778 CB THR B 4 42.887 0.322 -30.775 1.00 0.22 C +ATOM 2779 OG1 THR B 4 42.145 -0.845 -30.412 1.00 0.22 O +ATOM 2780 CG2 THR B 4 42.179 0.982 -31.932 1.00 0.22 C +ATOM 2781 N GLU B 5 45.800 1.218 -32.609 1.00 0.19 N +ATOM 2782 CA GLU B 5 46.589 2.384 -32.970 1.00 0.19 C +ATOM 2783 C GLU B 5 45.788 3.381 -33.791 1.00 0.19 C +ATOM 2784 O GLU B 5 44.992 3.009 -34.623 1.00 0.19 O +ATOM 2785 CB GLU B 5 47.825 1.935 -33.749 1.00 0.19 C +ATOM 2786 CG GLU B 5 48.441 2.996 -34.633 1.00 0.19 C +ATOM 2787 CD GLU B 5 49.674 2.487 -35.357 1.00 0.19 C +ATOM 2788 OE1 GLU B 5 49.723 1.264 -35.658 1.00 0.19 O +ATOM 2789 OE2 GLU B 5 50.578 3.314 -35.635 1.00 0.19 O +ATOM 2790 N GLY B 6 46.001 4.657 -33.526 1.00 2.22 N +ATOM 2791 CA GLY B 6 45.329 5.699 -34.272 1.00 2.22 C +ATOM 2792 C GLY B 6 46.483 6.460 -34.871 1.00 2.22 C +ATOM 2793 O GLY B 6 47.630 6.129 -34.609 1.00 2.22 O +ATOM 2794 N PRO B 7 46.234 7.477 -35.686 1.00 0.82 N +ATOM 2795 CA PRO B 7 47.377 8.208 -36.259 1.00 0.82 C +ATOM 2796 C PRO B 7 47.968 9.120 -35.213 1.00 0.82 C +ATOM 2797 O PRO B 7 49.061 9.684 -35.371 1.00 0.82 O +ATOM 2798 CB PRO B 7 46.732 9.003 -37.387 1.00 0.82 C +ATOM 2799 CG PRO B 7 45.359 9.316 -36.811 1.00 0.82 C +ATOM 2800 CD PRO B 7 44.950 7.991 -36.193 1.00 0.82 C +ATOM 2801 N ASN B 8 47.234 9.202 -34.116 1.00 0.19 N +ATOM 2802 CA ASN B 8 47.531 10.092 -33.024 1.00 0.19 C +ATOM 2803 C ASN B 8 47.774 9.399 -31.690 1.00 0.19 C +ATOM 2804 O ASN B 8 48.218 10.070 -30.749 1.00 0.19 O +ATOM 2805 CB ASN B 8 46.319 10.981 -32.870 1.00 0.19 C +ATOM 2806 CG ASN B 8 46.692 12.350 -32.579 1.00 0.19 C +ATOM 2807 OD1 ASN B 8 45.848 13.197 -32.284 1.00 0.19 O +ATOM 2808 ND2 ASN B 8 47.995 12.613 -32.664 1.00 0.19 N +ATOM 2809 N PHE B 9 47.496 8.097 -31.587 1.00 2.62 N +ATOM 2810 CA PHE B 9 47.592 7.407 -30.298 1.00 2.62 C +ATOM 2811 C PHE B 9 47.815 5.921 -30.442 1.00 2.62 C +ATOM 2812 O PHE B 9 48.139 5.424 -31.516 1.00 2.62 O +ATOM 2813 CB PHE B 9 46.269 7.595 -29.544 1.00 2.62 C +ATOM 2814 CG PHE B 9 45.049 7.307 -30.395 1.00 2.62 C +ATOM 2815 CD1 PHE B 9 44.483 8.304 -31.191 1.00 2.62 C +ATOM 2816 CD2 PHE B 9 44.523 6.019 -30.473 1.00 2.62 C +ATOM 2817 CE1 PHE B 9 43.427 8.023 -32.049 1.00 2.62 C +ATOM 2818 CE2 PHE B 9 43.461 5.726 -31.334 1.00 2.62 C +ATOM 2819 CZ PHE B 9 42.916 6.734 -32.124 1.00 2.62 C +ATOM 2820 N TYR B 10 47.628 5.225 -29.323 1.00 0.43 N +ATOM 2821 CA TYR B 10 47.722 3.780 -29.251 1.00 0.43 C +ATOM 2822 C TYR B 10 47.003 3.349 -27.979 1.00 0.43 C +ATOM 2823 O TYR B 10 47.563 3.431 -26.900 1.00 0.43 O +ATOM 2824 CB TYR B 10 49.185 3.308 -29.237 1.00 0.43 C +ATOM 2825 CG TYR B 10 49.331 1.791 -29.282 1.00 0.43 C +ATOM 2826 CD1 TYR B 10 49.329 1.101 -30.487 1.00 0.43 C +ATOM 2827 CD2 TYR B 10 49.408 1.045 -28.109 1.00 0.43 C +ATOM 2828 CE1 TYR B 10 49.395 -0.307 -30.517 1.00 0.43 C +ATOM 2829 CE2 TYR B 10 49.471 -0.350 -28.133 1.00 0.43 C +ATOM 2830 CZ TYR B 10 49.463 -1.027 -29.337 1.00 0.43 C +ATOM 2831 OH TYR B 10 49.512 -2.413 -29.345 1.00 0.43 O +ATOM 2832 N VAL B 11 45.748 2.931 -28.106 1.00 0.04 N +ATOM 2833 CA VAL B 11 44.980 2.475 -26.954 1.00 0.04 C +ATOM 2834 C VAL B 11 45.362 1.013 -26.663 1.00 0.04 C +ATOM 2835 O VAL B 11 45.189 0.159 -27.525 1.00 0.04 O +ATOM 2836 CB VAL B 11 43.434 2.590 -27.216 1.00 0.04 C +ATOM 2837 CG1 VAL B 11 42.649 2.247 -25.955 1.00 0.04 C +ATOM 2838 CG2 VAL B 11 43.082 3.998 -27.653 1.00 0.04 C +ATOM 2839 N PRO B 12 45.909 0.722 -25.458 1.00 0.00 N +ATOM 2840 CA PRO B 12 46.301 -0.640 -25.090 1.00 0.00 C +ATOM 2841 C PRO B 12 45.042 -1.424 -24.825 1.00 0.00 C +ATOM 2842 O PRO B 12 44.899 -2.021 -23.767 1.00 0.00 O +ATOM 2843 CB PRO B 12 47.120 -0.426 -23.831 1.00 0.00 C +ATOM 2844 CG PRO B 12 46.359 0.663 -23.162 1.00 0.00 C +ATOM 2845 CD PRO B 12 46.094 1.629 -24.309 1.00 0.00 C +ATOM 2846 N PHE B 13 44.130 -1.385 -25.797 1.00 0.43 N +ATOM 2847 CA PHE B 13 42.852 -2.084 -25.739 1.00 0.43 C +ATOM 2848 C PHE B 13 42.453 -2.512 -27.159 1.00 0.43 C +ATOM 2849 O PHE B 13 42.614 -1.733 -28.095 1.00 0.43 O +ATOM 2850 CB PHE B 13 41.787 -1.165 -25.153 1.00 0.43 C +ATOM 2851 CG PHE B 13 40.599 -1.896 -24.639 1.00 0.43 C +ATOM 2852 CD1 PHE B 13 40.638 -2.513 -23.395 1.00 0.43 C +ATOM 2853 CD2 PHE B 13 39.448 -2.001 -25.408 1.00 0.43 C +ATOM 2854 CE1 PHE B 13 39.546 -3.226 -22.921 1.00 0.43 C +ATOM 2855 CE2 PHE B 13 38.349 -2.711 -24.945 1.00 0.43 C +ATOM 2856 CZ PHE B 13 38.399 -3.325 -23.695 1.00 0.43 C +ATOM 2857 N SER B 14 41.937 -3.732 -27.318 1.00 0.01 N +ATOM 2858 CA SER B 14 41.551 -4.239 -28.637 1.00 0.01 C +ATOM 2859 C SER B 14 40.238 -3.677 -29.083 1.00 0.01 C +ATOM 2860 O SER B 14 39.319 -3.513 -28.271 1.00 0.01 O +ATOM 2861 CB SER B 14 41.440 -5.755 -28.623 1.00 0.01 C +ATOM 2862 OG SER B 14 40.789 -6.211 -29.791 1.00 0.01 O +ATOM 2863 N ASN B 15 40.134 -3.397 -30.378 1.00 0.00 N +ATOM 2864 CA ASN B 15 38.901 -2.862 -30.902 1.00 0.00 C +ATOM 2865 C ASN B 15 38.100 -3.949 -31.551 1.00 0.00 C +ATOM 2866 O ASN B 15 37.330 -3.679 -32.483 1.00 0.00 O +ATOM 2867 CB ASN B 15 39.156 -1.744 -31.899 1.00 0.00 C +ATOM 2868 CG ASN B 15 37.972 -0.808 -32.004 1.00 0.00 C +ATOM 2869 OD1 ASN B 15 37.195 -0.682 -31.063 1.00 0.00 O +ATOM 2870 ND2 ASN B 15 37.818 -0.129 -33.126 1.00 0.00 N +ATOM 2871 N LYS B 16 38.273 -5.176 -31.057 1.00 0.29 N +ATOM 2872 CA LYS B 16 37.541 -6.331 -31.572 1.00 0.29 C +ATOM 2873 C LYS B 16 36.061 -6.057 -31.447 1.00 0.29 C +ATOM 2874 O LYS B 16 35.282 -6.370 -32.359 1.00 0.29 O +ATOM 2875 CB LYS B 16 37.886 -7.602 -30.773 1.00 0.29 C +ATOM 2876 CG LYS B 16 37.163 -8.852 -31.303 1.00 0.29 C +ATOM 2877 CD LYS B 16 37.707 -10.170 -30.744 1.00 0.29 C +ATOM 2878 CE LYS B 16 37.041 -11.376 -31.447 1.00 0.29 C +ATOM 2879 NZ LYS B 16 37.572 -12.709 -30.998 1.00 0.29 N +ATOM 2880 N THR B 17 35.684 -5.461 -30.318 1.00 0.33 N +ATOM 2881 CA THR B 17 34.295 -5.135 -30.025 1.00 0.33 C +ATOM 2882 C THR B 17 33.904 -3.772 -30.580 1.00 0.33 C +ATOM 2883 O THR B 17 32.765 -3.383 -30.414 1.00 0.33 O +ATOM 2884 CB THR B 17 34.058 -5.160 -28.500 1.00 0.33 C +ATOM 2885 OG1 THR B 17 34.778 -4.091 -27.881 1.00 0.33 O +ATOM 2886 CG2 THR B 17 34.589 -6.455 -27.913 1.00 0.33 C +ATOM 2887 N GLY B 18 34.832 -3.061 -31.227 1.00 0.01 N +ATOM 2888 CA GLY B 18 34.538 -1.742 -31.787 1.00 0.01 C +ATOM 2889 C GLY B 18 34.239 -0.624 -30.783 1.00 0.01 C +ATOM 2890 O GLY B 18 33.796 0.467 -31.146 1.00 0.01 O +ATOM 2891 N VAL B 19 34.534 -0.886 -29.518 1.00 0.07 N +ATOM 2892 CA VAL B 19 34.265 0.047 -28.435 1.00 0.07 C +ATOM 2893 C VAL B 19 35.420 1.062 -28.185 1.00 0.07 C +ATOM 2894 O VAL B 19 35.251 1.986 -27.390 1.00 0.07 O +ATOM 2895 CB VAL B 19 33.946 -0.774 -27.143 1.00 0.07 C +ATOM 2896 CG1 VAL B 19 35.242 -1.232 -26.453 1.00 0.07 C +ATOM 2897 CG2 VAL B 19 33.070 0.022 -26.227 1.00 0.07 C +ATOM 2898 N VAL B 20 36.558 0.915 -28.848 1.00 0.00 N +ATOM 2899 CA VAL B 20 37.665 1.835 -28.618 1.00 0.00 C +ATOM 2900 C VAL B 20 37.430 3.148 -29.351 1.00 0.00 C +ATOM 2901 O VAL B 20 36.876 3.135 -30.450 1.00 0.00 O +ATOM 2902 CB VAL B 20 39.007 1.205 -29.084 1.00 0.00 C +ATOM 2903 CG1 VAL B 20 40.168 2.149 -28.822 1.00 0.00 C +ATOM 2904 CG2 VAL B 20 39.235 -0.095 -28.353 1.00 0.00 C +ATOM 2905 N ARG B 21 37.832 4.272 -28.747 1.00 1.98 N +ATOM 2906 CA ARG B 21 37.682 5.593 -29.369 1.00 1.98 C +ATOM 2907 C ARG B 21 38.786 6.529 -28.928 1.00 1.98 C +ATOM 2908 O ARG B 21 39.209 6.456 -27.796 1.00 1.98 O +ATOM 2909 CB ARG B 21 36.301 6.148 -29.062 1.00 1.98 C +ATOM 2910 CG ARG B 21 35.247 5.331 -29.803 1.00 1.98 C +ATOM 2911 CD ARG B 21 33.868 5.829 -29.576 1.00 1.98 C +ATOM 2912 NE ARG B 21 33.655 7.124 -30.219 1.00 1.98 N +ATOM 2913 CZ ARG B 21 32.672 7.965 -29.885 1.00 1.98 C +ATOM 2914 NH1 ARG B 21 31.819 7.642 -28.910 1.00 1.98 N +ATOM 2915 NH2 ARG B 21 32.525 9.126 -30.524 1.00 1.98 N +ATOM 2916 N SER B 22 39.247 7.401 -29.822 1.00 1.41 N +ATOM 2917 CA SER B 22 40.367 8.330 -29.565 1.00 1.41 C +ATOM 2918 C SER B 22 40.396 8.912 -28.156 1.00 1.41 C +ATOM 2919 O SER B 22 39.376 9.418 -27.683 1.00 1.41 O +ATOM 2920 CB SER B 22 40.347 9.482 -30.576 1.00 1.41 C +ATOM 2921 OG SER B 22 41.476 10.327 -30.428 1.00 1.41 O +ATOM 2922 N PRO B 23 41.561 8.859 -27.466 1.00 0.01 N +ATOM 2923 CA PRO B 23 41.617 9.424 -26.107 1.00 0.01 C +ATOM 2924 C PRO B 23 41.545 10.940 -26.210 1.00 0.01 C +ATOM 2925 O PRO B 23 41.570 11.652 -25.196 1.00 0.01 O +ATOM 2926 CB PRO B 23 42.954 8.921 -25.572 1.00 0.01 C +ATOM 2927 CG PRO B 23 43.785 8.827 -26.811 1.00 0.01 C +ATOM 2928 CD PRO B 23 42.846 8.233 -27.831 1.00 0.01 C +ATOM 2929 N PHE B 24 41.442 11.418 -27.449 1.00 0.25 N +ATOM 2930 CA PHE B 24 41.347 12.836 -27.752 1.00 0.25 C +ATOM 2931 C PHE B 24 39.917 13.220 -28.079 1.00 0.25 C +ATOM 2932 O PHE B 24 39.629 14.392 -28.202 1.00 0.25 O +ATOM 2933 CB PHE B 24 42.232 13.181 -28.952 1.00 0.25 C +ATOM 2934 CG PHE B 24 43.700 13.109 -28.666 1.00 0.25 C +ATOM 2935 CD1 PHE B 24 44.243 13.790 -27.571 1.00 0.25 C +ATOM 2936 CD2 PHE B 24 44.545 12.342 -29.467 1.00 0.25 C +ATOM 2937 CE1 PHE B 24 45.611 13.705 -27.272 1.00 0.25 C +ATOM 2938 CE2 PHE B 24 45.921 12.249 -29.177 1.00 0.25 C +ATOM 2939 CZ PHE B 24 46.450 12.934 -28.074 1.00 0.25 C +ATOM 2940 N GLU B 25 39.016 12.257 -28.195 1.00 0.01 N +ATOM 2941 CA GLU B 25 37.653 12.593 -28.576 1.00 0.01 C +ATOM 2942 C GLU B 25 36.594 12.042 -27.667 1.00 0.01 C +ATOM 2943 O GLU B 25 35.450 12.418 -27.821 1.00 0.01 O +ATOM 2944 CB GLU B 25 37.387 12.086 -29.998 1.00 0.01 C +ATOM 2945 CG GLU B 25 38.188 12.797 -31.089 1.00 0.01 C +ATOM 2946 CD GLU B 25 38.182 12.072 -32.449 1.00 0.01 C +ATOM 2947 OE1 GLU B 25 37.091 11.829 -33.031 1.00 0.01 O +ATOM 2948 OE2 GLU B 25 39.296 11.756 -32.944 1.00 0.01 O +ATOM 2949 N ALA B 26 36.919 11.162 -26.739 1.00 0.00 N +ATOM 2950 CA ALA B 26 35.850 10.640 -25.911 1.00 0.00 C +ATOM 2951 C ALA B 26 36.392 9.820 -24.767 1.00 0.00 C +ATOM 2952 O ALA B 26 37.473 9.250 -24.874 1.00 0.00 O +ATOM 2953 CB ALA B 26 34.919 9.804 -26.770 1.00 0.00 C +ATOM 2954 N PRO B 27 35.642 9.744 -23.653 1.00 0.16 N +ATOM 2955 CA PRO B 27 36.005 8.996 -22.443 1.00 0.16 C +ATOM 2956 C PRO B 27 36.517 7.582 -22.697 1.00 0.16 C +ATOM 2957 O PRO B 27 36.071 6.925 -23.639 1.00 0.16 O +ATOM 2958 CB PRO B 27 34.711 9.014 -21.636 1.00 0.16 C +ATOM 2959 CG PRO B 27 34.145 10.309 -21.987 1.00 0.16 C +ATOM 2960 CD PRO B 27 34.337 10.396 -23.478 1.00 0.16 C +ATOM 2961 N GLN B 28 37.429 7.123 -21.841 1.00 0.05 N +ATOM 2962 CA GLN B 28 38.027 5.797 -21.960 1.00 0.05 C +ATOM 2963 C GLN B 28 37.519 4.909 -20.863 1.00 0.05 C +ATOM 2964 O GLN B 28 38.254 4.034 -20.393 1.00 0.05 O +ATOM 2965 CB GLN B 28 39.535 5.922 -21.845 1.00 0.05 C +ATOM 2966 CG GLN B 28 40.088 6.914 -22.815 1.00 0.05 C +ATOM 2967 CD GLN B 28 39.907 6.453 -24.238 1.00 0.05 C +ATOM 2968 OE1 GLN B 28 40.504 5.464 -24.653 1.00 0.05 O +ATOM 2969 NE2 GLN B 28 39.074 7.158 -24.994 1.00 0.05 N +ATOM 2970 N TYR B 29 36.268 5.127 -20.471 1.00 0.10 N +ATOM 2971 CA TYR B 29 35.651 4.376 -19.384 1.00 0.10 C +ATOM 2972 C TYR B 29 35.536 2.921 -19.710 1.00 0.10 C +ATOM 2973 O TYR B 29 35.347 2.115 -18.811 1.00 0.10 O +ATOM 2974 CB TYR B 29 34.284 4.983 -19.030 1.00 0.10 C +ATOM 2975 CG TYR B 29 34.412 6.394 -18.471 1.00 0.10 C +ATOM 2976 CD1 TYR B 29 35.405 6.700 -17.534 1.00 0.10 C +ATOM 2977 CD2 TYR B 29 33.578 7.430 -18.891 1.00 0.10 C +ATOM 2978 CE1 TYR B 29 35.572 8.012 -17.028 1.00 0.10 C +ATOM 2979 CE2 TYR B 29 33.738 8.750 -18.388 1.00 0.10 C +ATOM 2980 CZ TYR B 29 34.740 9.028 -17.459 1.00 0.10 C +ATOM 2981 OH TYR B 29 34.944 10.309 -16.970 1.00 0.10 O +ATOM 2982 N TYR B 30 35.669 2.577 -20.982 1.00 0.02 N +ATOM 2983 CA TYR B 30 35.598 1.184 -21.394 1.00 0.02 C +ATOM 2984 C TYR B 30 36.966 0.520 -21.186 1.00 0.02 C +ATOM 2985 O TYR B 30 37.133 -0.635 -21.532 1.00 0.02 O +ATOM 2986 CB TYR B 30 35.181 1.119 -22.860 1.00 0.02 C +ATOM 2987 CG TYR B 30 36.173 1.788 -23.767 1.00 0.02 C +ATOM 2988 CD1 TYR B 30 37.324 1.125 -24.160 1.00 0.02 C +ATOM 2989 CD2 TYR B 30 36.011 3.115 -24.150 1.00 0.02 C +ATOM 2990 CE1 TYR B 30 38.282 1.755 -24.893 1.00 0.02 C +ATOM 2991 CE2 TYR B 30 36.971 3.758 -24.889 1.00 0.02 C +ATOM 2992 CZ TYR B 30 38.103 3.070 -25.249 1.00 0.02 C +ATOM 2993 OH TYR B 30 39.102 3.687 -25.943 1.00 0.02 O +ATOM 2994 N LEU B 31 37.927 1.262 -20.635 1.00 0.00 N +ATOM 2995 CA LEU B 31 39.275 0.763 -20.348 1.00 0.00 C +ATOM 2996 C LEU B 31 39.352 0.402 -18.897 1.00 0.00 C +ATOM 2997 O LEU B 31 40.087 -0.496 -18.503 1.00 0.00 O +ATOM 2998 CB LEU B 31 40.314 1.851 -20.564 1.00 0.00 C +ATOM 2999 CG LEU B 31 40.696 2.241 -21.965 1.00 0.00 C +ATOM 3000 CD1 LEU B 31 41.856 3.182 -21.872 1.00 0.00 C +ATOM 3001 CD2 LEU B 31 41.081 1.009 -22.745 1.00 0.00 C +ATOM 3002 N ALA B 32 38.612 1.154 -18.097 1.00 0.07 N +ATOM 3003 CA ALA B 32 38.586 0.965 -16.665 1.00 0.07 C +ATOM 3004 C ALA B 32 37.346 1.629 -16.116 1.00 0.07 C +ATOM 3005 O ALA B 32 36.728 2.477 -16.780 1.00 0.07 O +ATOM 3006 CB ALA B 32 39.837 1.586 -16.034 1.00 0.07 C +ATOM 3007 N GLU B 33 36.994 1.254 -14.895 1.00 0.10 N +ATOM 3008 CA GLU B 33 35.819 1.780 -14.216 1.00 0.10 C +ATOM 3009 C GLU B 33 35.900 3.285 -14.049 1.00 0.10 C +ATOM 3010 O GLU B 33 36.960 3.819 -13.787 1.00 0.10 O +ATOM 3011 CB GLU B 33 35.704 1.149 -12.829 1.00 0.10 C +ATOM 3012 CG GLU B 33 35.954 -0.352 -12.786 1.00 0.10 C +ATOM 3013 CD GLU B 33 35.006 -1.129 -13.684 1.00 0.10 C +ATOM 3014 OE1 GLU B 33 33.775 -1.002 -13.494 1.00 0.10 O +ATOM 3015 OE2 GLU B 33 35.495 -1.865 -14.577 1.00 0.10 O +ATOM 3016 N PRO B 34 34.768 3.984 -14.195 1.00 0.15 N +ATOM 3017 CA PRO B 34 34.717 5.434 -14.043 1.00 0.15 C +ATOM 3018 C PRO B 34 35.178 5.904 -12.664 1.00 0.15 C +ATOM 3019 O PRO B 34 35.717 7.009 -12.526 1.00 0.15 O +ATOM 3020 CB PRO B 34 33.246 5.735 -14.297 1.00 0.15 C +ATOM 3021 CG PRO B 34 32.915 4.767 -15.370 1.00 0.15 C +ATOM 3022 CD PRO B 34 33.540 3.496 -14.846 1.00 0.15 C +ATOM 3023 N TRP B 35 34.970 5.083 -11.643 1.00 0.04 N +ATOM 3024 CA TRP B 35 35.372 5.486 -10.307 1.00 0.04 C +ATOM 3025 C TRP B 35 36.863 5.496 -10.227 1.00 0.04 C +ATOM 3026 O TRP B 35 37.435 6.212 -9.416 1.00 0.04 O +ATOM 3027 CB TRP B 35 34.806 4.536 -9.262 1.00 0.04 C +ATOM 3028 CG TRP B 35 35.382 3.189 -9.311 1.00 0.04 C +ATOM 3029 CD1 TRP B 35 34.865 2.098 -9.941 1.00 0.04 C +ATOM 3030 CD2 TRP B 35 36.604 2.764 -8.702 1.00 0.04 C +ATOM 3031 NE1 TRP B 35 35.690 1.010 -9.763 1.00 0.04 N +ATOM 3032 CE2 TRP B 35 36.766 1.392 -9.005 1.00 0.04 C +ATOM 3033 CE3 TRP B 35 37.581 3.408 -7.930 1.00 0.04 C +ATOM 3034 CZ2 TRP B 35 37.867 0.654 -8.562 1.00 0.04 C +ATOM 3035 CZ3 TRP B 35 38.681 2.671 -7.488 1.00 0.04 C +ATOM 3036 CH2 TRP B 35 38.812 1.310 -7.808 1.00 0.04 C +ATOM 3037 N GLN B 36 37.488 4.698 -11.079 1.00 7.10 N +ATOM 3038 CA GLN B 36 38.938 4.606 -11.111 1.00 7.10 C +ATOM 3039 C GLN B 36 39.529 5.865 -11.693 1.00 7.10 C +ATOM 3040 O GLN B 36 40.677 6.173 -11.425 1.00 7.10 O +ATOM 3041 CB GLN B 36 39.371 3.396 -11.932 1.00 7.10 C +ATOM 3042 CG GLN B 36 38.973 2.086 -11.314 1.00 7.10 C +ATOM 3043 CD GLN B 36 39.405 0.922 -12.148 1.00 7.10 C +ATOM 3044 OE1 GLN B 36 38.914 0.725 -13.258 1.00 7.10 O +ATOM 3045 NE2 GLN B 36 40.345 0.138 -11.626 1.00 7.10 N +ATOM 3046 N PHE B 37 38.764 6.587 -12.505 1.00 2.31 N +ATOM 3047 CA PHE B 37 39.277 7.832 -13.057 1.00 2.31 C +ATOM 3048 C PHE B 37 39.115 8.899 -12.009 1.00 2.31 C +ATOM 3049 O PHE B 37 39.932 9.821 -11.943 1.00 2.31 O +ATOM 3050 CB PHE B 37 38.531 8.228 -14.329 1.00 2.31 C +ATOM 3051 CG PHE B 37 38.842 7.354 -15.497 1.00 2.31 C +ATOM 3052 CD1 PHE B 37 38.246 6.113 -15.629 1.00 2.31 C +ATOM 3053 CD2 PHE B 37 39.747 7.766 -16.455 1.00 2.31 C +ATOM 3054 CE1 PHE B 37 38.548 5.296 -16.704 1.00 2.31 C +ATOM 3055 CE2 PHE B 37 40.058 6.967 -17.530 1.00 2.31 C +ATOM 3056 CZ PHE B 37 39.462 5.732 -17.662 1.00 2.31 C +ATOM 3057 N SER B 38 38.065 8.774 -11.195 1.00 0.36 N +ATOM 3058 CA SER B 38 37.825 9.731 -10.124 1.00 0.36 C +ATOM 3059 C SER B 38 38.928 9.529 -9.108 1.00 0.36 C +ATOM 3060 O SER B 38 39.354 10.457 -8.428 1.00 0.36 O +ATOM 3061 CB SER B 38 36.439 9.500 -9.507 1.00 0.36 C +ATOM 3062 OG SER B 38 35.529 10.487 -9.969 1.00 0.36 O +ATOM 3063 N MET B 39 39.409 8.299 -9.043 1.00 0.10 N +ATOM 3064 CA MET B 39 40.486 7.946 -8.149 1.00 0.10 C +ATOM 3065 C MET B 39 41.765 8.683 -8.587 1.00 0.10 C +ATOM 3066 O MET B 39 42.388 9.371 -7.766 1.00 0.10 O +ATOM 3067 CB MET B 39 40.690 6.444 -8.226 1.00 0.10 C +ATOM 3068 CG MET B 39 41.014 5.814 -6.925 1.00 0.10 C +ATOM 3069 SD MET B 39 39.751 6.262 -5.751 1.00 0.10 S +ATOM 3070 CE MET B 39 40.574 7.645 -4.838 1.00 0.10 C +ATOM 3071 N LEU B 40 42.146 8.541 -9.867 1.00 1.15 N +ATOM 3072 CA LEU B 40 43.350 9.177 -10.445 1.00 1.15 C +ATOM 3073 C LEU B 40 43.265 10.667 -10.282 1.00 1.15 C +ATOM 3074 O LEU B 40 44.268 11.314 -9.974 1.00 1.15 O +ATOM 3075 CB LEU B 40 43.488 8.850 -11.937 1.00 1.15 C +ATOM 3076 CG LEU B 40 43.889 7.431 -12.345 1.00 1.15 C +ATOM 3077 CD1 LEU B 40 43.981 7.341 -13.848 1.00 1.15 C +ATOM 3078 CD2 LEU B 40 45.212 7.061 -11.733 1.00 1.15 C +ATOM 3079 N ALA B 41 42.064 11.195 -10.498 1.00 0.45 N +ATOM 3080 CA ALA B 41 41.783 12.617 -10.367 1.00 0.45 C +ATOM 3081 C ALA B 41 42.011 13.088 -8.902 1.00 0.45 C +ATOM 3082 O ALA B 41 42.570 14.180 -8.696 1.00 0.45 O +ATOM 3083 CB ALA B 41 40.336 12.888 -10.814 1.00 0.45 C +ATOM 3084 N ALA B 42 41.587 12.294 -7.908 1.00 0.81 N +ATOM 3085 CA ALA B 42 41.764 12.651 -6.496 1.00 0.81 C +ATOM 3086 C ALA B 42 43.238 12.744 -6.187 1.00 0.81 C +ATOM 3087 O ALA B 42 43.673 13.675 -5.526 1.00 0.81 O +ATOM 3088 CB ALA B 42 41.125 11.605 -5.601 1.00 0.81 C +ATOM 3089 N TYR B 43 43.994 11.766 -6.672 1.00 15.20 N +ATOM 3090 CA TYR B 43 45.432 11.677 -6.473 1.00 15.20 C +ATOM 3091 C TYR B 43 46.157 12.917 -6.989 1.00 15.20 C +ATOM 3092 O TYR B 43 47.014 13.462 -6.291 1.00 15.20 O +ATOM 3093 CB TYR B 43 45.921 10.445 -7.205 1.00 15.20 C +ATOM 3094 CG TYR B 43 47.406 10.294 -7.288 1.00 15.20 C +ATOM 3095 CD1 TYR B 43 48.155 9.981 -6.164 1.00 15.20 C +ATOM 3096 CD2 TYR B 43 48.056 10.379 -8.513 1.00 15.20 C +ATOM 3097 CE1 TYR B 43 49.516 9.740 -6.261 1.00 15.20 C +ATOM 3098 CE2 TYR B 43 49.415 10.142 -8.626 1.00 15.20 C +ATOM 3099 CZ TYR B 43 50.137 9.816 -7.500 1.00 15.20 C +ATOM 3100 OH TYR B 43 51.469 9.516 -7.614 1.00 15.20 O +ATOM 3101 N MET B 44 45.824 13.346 -8.203 1.00 0.64 N +ATOM 3102 CA MET B 44 46.449 14.517 -8.820 1.00 0.64 C +ATOM 3103 C MET B 44 46.070 15.790 -8.094 1.00 0.64 C +ATOM 3104 O MET B 44 46.892 16.715 -7.994 1.00 0.64 O +ATOM 3105 CB MET B 44 46.048 14.634 -10.289 1.00 0.64 C +ATOM 3106 CG MET B 44 46.535 13.491 -11.151 1.00 0.64 C +ATOM 3107 SD MET B 44 48.292 13.245 -10.978 1.00 0.64 S +ATOM 3108 CE MET B 44 48.931 14.860 -11.464 1.00 0.64 C +ATOM 3109 N PHE B 45 44.833 15.858 -7.618 1.00 0.10 N +ATOM 3110 CA PHE B 45 44.388 17.018 -6.880 1.00 0.10 C +ATOM 3111 C PHE B 45 45.276 17.170 -5.655 1.00 0.10 C +ATOM 3112 O PHE B 45 45.757 18.265 -5.365 1.00 0.10 O +ATOM 3113 CB PHE B 45 42.949 16.828 -6.448 1.00 0.10 C +ATOM 3114 CG PHE B 45 42.478 17.870 -5.500 1.00 0.10 C +ATOM 3115 CD1 PHE B 45 42.369 19.195 -5.909 1.00 0.10 C +ATOM 3116 CD2 PHE B 45 42.130 17.531 -4.194 1.00 0.10 C +ATOM 3117 CE1 PHE B 45 41.914 20.178 -5.029 1.00 0.10 C +ATOM 3118 CE2 PHE B 45 41.671 18.504 -3.304 1.00 0.10 C +ATOM 3119 CZ PHE B 45 41.561 19.835 -3.723 1.00 0.10 C +ATOM 3120 N LEU B 46 45.483 16.065 -4.942 1.00 0.17 N +ATOM 3121 CA LEU B 46 46.333 16.057 -3.756 1.00 0.17 C +ATOM 3122 C LEU B 46 47.732 16.488 -4.151 1.00 0.17 C +ATOM 3123 O LEU B 46 48.341 17.321 -3.460 1.00 0.17 O +ATOM 3124 CB LEU B 46 46.390 14.659 -3.133 1.00 0.17 C +ATOM 3125 CG LEU B 46 45.116 14.202 -2.433 1.00 0.17 C +ATOM 3126 CD1 LEU B 46 45.346 12.847 -1.813 1.00 0.17 C +ATOM 3127 CD2 LEU B 46 44.720 15.201 -1.375 1.00 0.17 C +ATOM 3128 N LEU B 47 48.239 15.937 -5.255 1.00 1.21 N +ATOM 3129 CA LEU B 47 49.576 16.277 -5.724 1.00 1.21 C +ATOM 3130 C LEU B 47 49.696 17.774 -5.983 1.00 1.21 C +ATOM 3131 O LEU B 47 50.726 18.367 -5.657 1.00 1.21 O +ATOM 3132 CB LEU B 47 49.918 15.481 -6.985 1.00 1.21 C +ATOM 3133 CG LEU B 47 50.426 14.060 -6.732 1.00 1.21 C +ATOM 3134 CD1 LEU B 47 50.854 13.418 -8.031 1.00 1.21 C +ATOM 3135 CD2 LEU B 47 51.610 14.101 -5.801 1.00 1.21 C +ATOM 3136 N ILE B 48 48.652 18.380 -6.541 1.00 0.89 N +ATOM 3137 CA ILE B 48 48.662 19.802 -6.817 1.00 0.89 C +ATOM 3138 C ILE B 48 48.563 20.610 -5.538 1.00 0.89 C +ATOM 3139 O ILE B 48 49.254 21.611 -5.426 1.00 0.89 O +ATOM 3140 CB ILE B 48 47.507 20.184 -7.746 1.00 0.89 C +ATOM 3141 CG1 ILE B 48 47.731 19.550 -9.113 1.00 0.89 C +ATOM 3142 CG2 ILE B 48 47.407 21.688 -7.879 1.00 0.89 C +ATOM 3143 CD1 ILE B 48 46.575 19.755 -10.039 1.00 0.89 C +ATOM 3144 N MET B 49 47.739 20.186 -4.578 1.00 2.83 N +ATOM 3145 CA MET B 49 47.563 20.941 -3.326 1.00 2.83 C +ATOM 3146 C MET B 49 48.722 20.775 -2.339 1.00 2.83 C +ATOM 3147 O MET B 49 48.780 21.489 -1.326 1.00 2.83 O +ATOM 3148 CB MET B 49 46.235 20.567 -2.652 1.00 2.83 C +ATOM 3149 CG MET B 49 45.005 21.068 -3.396 1.00 2.83 C +ATOM 3150 SD MET B 49 44.994 22.855 -3.716 1.00 2.83 S +ATOM 3151 CE MET B 49 44.149 23.469 -2.284 1.00 2.83 C +ATOM 3152 N LEU B 50 49.632 19.850 -2.609 1.00 0.37 N +ATOM 3153 CA LEU B 50 50.774 19.678 -1.729 1.00 0.37 C +ATOM 3154 C LEU B 50 51.995 20.199 -2.437 1.00 0.37 C +ATOM 3155 O LEU B 50 52.706 21.047 -1.908 1.00 0.37 O +ATOM 3156 CB LEU B 50 50.982 18.210 -1.384 1.00 0.37 C +ATOM 3157 CG LEU B 50 51.615 17.931 -0.008 1.00 0.37 C +ATOM 3158 CD1 LEU B 50 51.983 16.468 0.039 1.00 0.37 C +ATOM 3159 CD2 LEU B 50 52.859 18.796 0.253 1.00 0.37 C +ATOM 3160 N GLY B 51 52.234 19.693 -3.640 1.00 0.03 N +ATOM 3161 CA GLY B 51 53.382 20.124 -4.409 1.00 0.03 C +ATOM 3162 C GLY B 51 53.490 21.622 -4.616 1.00 0.03 C +ATOM 3163 O GLY B 51 54.579 22.148 -4.838 1.00 0.03 O +ATOM 3164 N PHE B 52 52.369 22.324 -4.549 1.00 1.08 N +ATOM 3165 CA PHE B 52 52.417 23.761 -4.741 1.00 1.08 C +ATOM 3166 C PHE B 52 52.917 24.471 -3.481 1.00 1.08 C +ATOM 3167 O PHE B 52 53.964 25.112 -3.525 1.00 1.08 O +ATOM 3168 CB PHE B 52 51.044 24.288 -5.172 1.00 1.08 C +ATOM 3169 CG PHE B 52 50.901 25.767 -5.029 1.00 1.08 C +ATOM 3170 CD1 PHE B 52 51.949 26.618 -5.393 1.00 1.08 C +ATOM 3171 CD2 PHE B 52 49.732 26.318 -4.502 1.00 1.08 C +ATOM 3172 CE1 PHE B 52 51.841 28.003 -5.227 1.00 1.08 C +ATOM 3173 CE2 PHE B 52 49.603 27.696 -4.330 1.00 1.08 C +ATOM 3174 CZ PHE B 52 50.663 28.544 -4.691 1.00 1.08 C +ATOM 3175 N PRO B 53 52.199 24.368 -2.350 1.00 0.03 N +ATOM 3176 CA PRO B 53 52.738 25.072 -1.190 1.00 0.03 C +ATOM 3177 C PRO B 53 54.140 24.670 -0.838 1.00 0.03 C +ATOM 3178 O PRO B 53 54.945 25.519 -0.485 1.00 0.03 O +ATOM 3179 CB PRO B 53 51.743 24.726 -0.084 1.00 0.03 C +ATOM 3180 CG PRO B 53 51.215 23.414 -0.499 1.00 0.03 C +ATOM 3181 CD PRO B 53 51.007 23.594 -1.974 1.00 0.03 C +ATOM 3182 N ILE B 54 54.448 23.391 -0.987 1.00 0.28 N +ATOM 3183 CA ILE B 54 55.757 22.868 -0.613 1.00 0.28 C +ATOM 3184 C ILE B 54 56.928 23.299 -1.510 1.00 0.28 C +ATOM 3185 O ILE B 54 58.026 23.421 -1.006 1.00 0.28 O +ATOM 3186 CB ILE B 54 55.715 21.325 -0.519 1.00 0.28 C +ATOM 3187 CG1 ILE B 54 56.746 20.835 0.493 1.00 0.28 C +ATOM 3188 CG2 ILE B 54 56.020 20.711 -1.864 1.00 0.28 C +ATOM 3189 CD1 ILE B 54 56.795 19.328 0.629 1.00 0.28 C +ATOM 3190 N ASN B 55 56.734 23.505 -2.808 1.00 0.00 N +ATOM 3191 CA ASN B 55 57.854 23.917 -3.659 1.00 0.00 C +ATOM 3192 C ASN B 55 57.903 25.410 -3.699 1.00 0.00 C +ATOM 3193 O ASN B 55 58.945 26.001 -3.959 1.00 0.00 O +ATOM 3194 CB ASN B 55 57.695 23.367 -5.073 1.00 0.00 C +ATOM 3195 CG ASN B 55 58.004 21.889 -5.150 1.00 0.00 C +ATOM 3196 OD1 ASN B 55 59.137 21.468 -4.919 1.00 0.00 O +ATOM 3197 ND2 ASN B 55 56.992 21.086 -5.462 1.00 0.00 N +ATOM 3198 N PHE B 56 56.762 26.029 -3.444 1.00 0.05 N +ATOM 3199 CA PHE B 56 56.714 27.465 -3.435 1.00 0.05 C +ATOM 3200 C PHE B 56 57.389 27.943 -2.195 1.00 0.05 C +ATOM 3201 O PHE B 56 58.214 28.842 -2.251 1.00 0.05 O +ATOM 3202 CB PHE B 56 55.291 27.974 -3.407 1.00 0.05 C +ATOM 3203 CG PHE B 56 55.225 29.445 -3.285 1.00 0.05 C +ATOM 3204 CD1 PHE B 56 55.487 30.249 -4.391 1.00 0.05 C +ATOM 3205 CD2 PHE B 56 55.018 30.041 -2.051 1.00 0.05 C +ATOM 3206 CE1 PHE B 56 55.550 31.631 -4.276 1.00 0.05 C +ATOM 3207 CE2 PHE B 56 55.080 31.427 -1.923 1.00 0.05 C +ATOM 3208 CZ PHE B 56 55.349 32.223 -3.043 1.00 0.05 C +ATOM 3209 N LEU B 57 57.005 27.353 -1.068 1.00 0.19 N +ATOM 3210 CA LEU B 57 57.573 27.714 0.213 1.00 0.19 C +ATOM 3211 C LEU B 57 59.060 27.494 0.178 1.00 0.19 C +ATOM 3212 O LEU B 57 59.787 28.269 0.765 1.00 0.19 O +ATOM 3213 CB LEU B 57 56.931 26.892 1.331 1.00 0.19 C +ATOM 3214 CG LEU B 57 57.273 27.218 2.798 1.00 0.19 C +ATOM 3215 CD1 LEU B 57 58.627 26.647 3.139 1.00 0.19 C +ATOM 3216 CD2 LEU B 57 57.229 28.733 3.052 1.00 0.19 C +ATOM 3217 N THR B 58 59.516 26.446 -0.497 1.00 0.00 N +ATOM 3218 CA THR B 58 60.958 26.171 -0.617 1.00 0.00 C +ATOM 3219 C THR B 58 61.610 27.353 -1.329 1.00 0.00 C +ATOM 3220 O THR B 58 62.557 27.968 -0.835 1.00 0.00 O +ATOM 3221 CB THR B 58 61.228 24.913 -1.485 1.00 0.00 C +ATOM 3222 OG1 THR B 58 60.665 23.758 -0.856 1.00 0.00 O +ATOM 3223 CG2 THR B 58 62.722 24.709 -1.691 1.00 0.00 C +ATOM 3224 N LEU B 59 61.084 27.638 -2.512 1.00 0.04 N +ATOM 3225 CA LEU B 59 61.533 28.727 -3.351 1.00 0.04 C +ATOM 3226 C LEU B 59 61.613 30.034 -2.550 1.00 0.04 C +ATOM 3227 O LEU B 59 62.641 30.707 -2.573 1.00 0.04 O +ATOM 3228 CB LEU B 59 60.545 28.839 -4.512 1.00 0.04 C +ATOM 3229 CG LEU B 59 60.359 30.158 -5.238 1.00 0.04 C +ATOM 3230 CD1 LEU B 59 61.696 30.667 -5.709 1.00 0.04 C +ATOM 3231 CD2 LEU B 59 59.420 29.939 -6.408 1.00 0.04 C +ATOM 3232 N TYR B 60 60.546 30.353 -1.826 1.00 5.80 N +ATOM 3233 CA TYR B 60 60.436 31.573 -1.037 1.00 5.80 C +ATOM 3234 C TYR B 60 61.444 31.677 0.109 1.00 5.80 C +ATOM 3235 O TYR B 60 61.977 32.759 0.352 1.00 5.80 O +ATOM 3236 CB TYR B 60 59.020 31.670 -0.497 1.00 5.80 C +ATOM 3237 CG TYR B 60 58.740 32.916 0.277 1.00 5.80 C +ATOM 3238 CD1 TYR B 60 59.324 33.129 1.521 1.00 5.80 C +ATOM 3239 CD2 TYR B 60 57.869 33.874 -0.220 1.00 5.80 C +ATOM 3240 CE1 TYR B 60 59.045 34.261 2.257 1.00 5.80 C +ATOM 3241 CE2 TYR B 60 57.574 35.012 0.501 1.00 5.80 C +ATOM 3242 CZ TYR B 60 58.164 35.206 1.747 1.00 5.80 C +ATOM 3243 OH TYR B 60 57.856 36.335 2.493 1.00 5.80 O +ATOM 3244 N VAL B 61 61.699 30.594 0.829 1.00 0.32 N +ATOM 3245 CA VAL B 61 62.654 30.643 1.945 1.00 0.32 C +ATOM 3246 C VAL B 61 64.049 30.949 1.441 1.00 0.32 C +ATOM 3247 O VAL B 61 64.681 31.875 1.943 1.00 0.32 O +ATOM 3248 CB VAL B 61 62.680 29.298 2.727 1.00 0.32 C +ATOM 3249 CG1 VAL B 61 63.892 29.227 3.660 1.00 0.32 C +ATOM 3250 CG2 VAL B 61 61.394 29.157 3.527 1.00 0.32 C +ATOM 3251 N THR B 62 64.508 30.170 0.458 1.00 0.00 N +ATOM 3252 CA THR B 62 65.838 30.302 -0.146 1.00 0.00 C +ATOM 3253 C THR B 62 66.100 31.718 -0.529 1.00 0.00 C +ATOM 3254 O THR B 62 67.067 32.316 -0.103 1.00 0.00 O +ATOM 3255 CB THR B 62 65.957 29.482 -1.433 1.00 0.00 C +ATOM 3256 OG1 THR B 62 65.457 28.162 -1.211 1.00 0.00 O +ATOM 3257 CG2 THR B 62 67.406 29.397 -1.866 1.00 0.00 C +ATOM 3258 N VAL B 63 65.231 32.239 -1.372 1.00 0.31 N +ATOM 3259 CA VAL B 63 65.348 33.600 -1.835 1.00 0.31 C +ATOM 3260 C VAL B 63 65.381 34.534 -0.649 1.00 0.31 C +ATOM 3261 O VAL B 63 66.231 35.426 -0.585 1.00 0.31 O +ATOM 3262 CB VAL B 63 64.153 33.950 -2.733 1.00 0.31 C +ATOM 3263 CG1 VAL B 63 64.179 35.415 -3.095 1.00 0.31 C +ATOM 3264 CG2 VAL B 63 64.178 33.090 -3.981 1.00 0.31 C +ATOM 3265 N GLN B 64 64.469 34.323 0.293 1.00 0.64 N +ATOM 3266 CA GLN B 64 64.380 35.176 1.468 1.00 0.64 C +ATOM 3267 C GLN B 64 65.614 35.102 2.359 1.00 0.64 C +ATOM 3268 O GLN B 64 66.056 36.127 2.835 1.00 0.64 O +ATOM 3269 CB GLN B 64 63.144 34.823 2.281 1.00 0.64 C +ATOM 3270 CG GLN B 64 63.193 35.418 3.650 1.00 0.64 C +ATOM 3271 CD GLN B 64 61.920 35.212 4.407 1.00 0.64 C +ATOM 3272 OE1 GLN B 64 60.897 35.797 4.080 1.00 0.64 O +ATOM 3273 NE2 GLN B 64 61.970 34.370 5.430 1.00 0.64 N +ATOM 3274 N HIS B 65 66.175 33.918 2.575 1.00 0.13 N +ATOM 3275 CA HIS B 65 67.339 33.792 3.451 1.00 0.13 C +ATOM 3276 C HIS B 65 68.667 33.847 2.721 1.00 0.13 C +ATOM 3277 O HIS B 65 69.145 32.851 2.183 1.00 0.13 O +ATOM 3278 CB HIS B 65 67.200 32.528 4.295 1.00 0.13 C +ATOM 3279 CG HIS B 65 66.081 32.619 5.279 1.00 0.13 C +ATOM 3280 ND1 HIS B 65 66.216 32.257 6.602 1.00 0.13 N +ATOM 3281 CD2 HIS B 65 64.838 33.142 5.156 1.00 0.13 C +ATOM 3282 CE1 HIS B 65 65.105 32.558 7.251 1.00 0.13 C +ATOM 3283 NE2 HIS B 65 64.255 33.098 6.398 1.00 0.13 N +ATOM 3284 N LYS B 66 69.267 35.035 2.772 1.00 0.00 N +ATOM 3285 CA LYS B 66 70.527 35.397 2.120 1.00 0.00 C +ATOM 3286 C LYS B 66 71.682 34.395 2.254 1.00 0.00 C +ATOM 3287 O LYS B 66 72.562 34.429 1.410 1.00 0.00 O +ATOM 3288 CB LYS B 66 70.957 36.779 2.624 1.00 0.00 C +ATOM 3289 CG LYS B 66 72.234 37.337 2.002 1.00 0.00 C +ATOM 3290 CD LYS B 66 72.667 38.637 2.715 1.00 0.00 C +ATOM 3291 CE LYS B 66 74.106 39.030 2.384 1.00 0.00 C +ATOM 3292 NZ LYS B 66 74.509 40.284 3.080 1.00 0.00 N +ATOM 3293 N LYS B 67 71.712 33.524 3.256 1.00 1.32 N +ATOM 3294 CA LYS B 67 72.842 32.585 3.349 1.00 1.32 C +ATOM 3295 C LYS B 67 72.596 31.339 2.543 1.00 1.32 C +ATOM 3296 O LYS B 67 73.550 30.684 2.133 1.00 1.32 O +ATOM 3297 CB LYS B 67 73.115 32.131 4.782 1.00 1.32 C +ATOM 3298 CG LYS B 67 72.228 30.979 5.234 1.00 1.32 C +ATOM 3299 CD LYS B 67 72.682 30.326 6.543 1.00 1.32 C +ATOM 3300 CE LYS B 67 71.730 29.166 6.895 1.00 1.32 C +ATOM 3301 NZ LYS B 67 72.010 28.458 8.182 1.00 1.32 N +ATOM 3302 N LEU B 68 71.334 30.976 2.354 1.00 0.00 N +ATOM 3303 CA LEU B 68 71.014 29.775 1.593 1.00 0.00 C +ATOM 3304 C LEU B 68 71.421 30.013 0.142 1.00 0.00 C +ATOM 3305 O LEU B 68 70.606 30.376 -0.705 1.00 0.00 O +ATOM 3306 CB LEU B 68 69.518 29.467 1.756 1.00 0.00 C +ATOM 3307 CG LEU B 68 69.159 29.284 3.235 1.00 0.00 C +ATOM 3308 CD1 LEU B 68 67.678 29.421 3.447 1.00 0.00 C +ATOM 3309 CD2 LEU B 68 69.667 27.940 3.711 1.00 0.00 C +ATOM 3310 N ARG B 69 72.703 29.822 -0.132 1.00 0.03 N +ATOM 3311 CA ARG B 69 73.207 30.055 -1.464 1.00 0.03 C +ATOM 3312 C ARG B 69 74.337 29.118 -1.776 1.00 0.03 C +ATOM 3313 O ARG B 69 75.179 29.470 -2.577 1.00 0.03 O +ATOM 3314 CB ARG B 69 73.694 31.493 -1.583 1.00 0.03 C +ATOM 3315 CG ARG B 69 72.647 32.550 -1.268 1.00 0.03 C +ATOM 3316 CD ARG B 69 71.851 32.893 -2.501 1.00 0.03 C +ATOM 3317 NE ARG B 69 70.828 33.912 -2.270 1.00 0.03 N +ATOM 3318 CZ ARG B 69 69.810 33.778 -1.427 1.00 0.03 C +ATOM 3319 NH1 ARG B 69 69.679 32.665 -0.719 1.00 0.03 N +ATOM 3320 NH2 ARG B 69 68.909 34.747 -1.315 1.00 0.03 N +ATOM 3321 N THR B 70 74.386 27.949 -1.142 1.00 8.86 N +ATOM 3322 CA THR B 70 75.441 26.980 -1.449 1.00 8.86 C +ATOM 3323 C THR B 70 75.014 26.232 -2.716 1.00 8.86 C +ATOM 3324 O THR B 70 73.895 26.444 -3.184 1.00 8.86 O +ATOM 3325 CB THR B 70 75.651 25.978 -0.285 1.00 8.86 C +ATOM 3326 OG1 THR B 70 74.535 25.078 -0.192 1.00 8.86 O +ATOM 3327 CG2 THR B 70 75.786 26.730 1.022 1.00 8.86 C +ATOM 3328 N PRO B 71 75.880 25.368 -3.295 1.00 0.19 N +ATOM 3329 CA PRO B 71 75.413 24.686 -4.508 1.00 0.19 C +ATOM 3330 C PRO B 71 74.108 23.980 -4.248 1.00 0.19 C +ATOM 3331 O PRO B 71 73.126 24.226 -4.948 1.00 0.19 O +ATOM 3332 CB PRO B 71 76.556 23.720 -4.828 1.00 0.19 C +ATOM 3333 CG PRO B 71 77.758 24.452 -4.327 1.00 0.19 C +ATOM 3334 CD PRO B 71 77.262 24.959 -2.978 1.00 0.19 C +ATOM 3335 N LEU B 72 74.096 23.127 -3.230 1.00 0.00 N +ATOM 3336 CA LEU B 72 72.897 22.389 -2.876 1.00 0.00 C +ATOM 3337 C LEU B 72 71.726 23.338 -2.834 1.00 0.00 C +ATOM 3338 O LEU B 72 70.698 23.030 -3.417 1.00 0.00 O +ATOM 3339 CB LEU B 72 73.072 21.709 -1.518 1.00 0.00 C +ATOM 3340 CG LEU B 72 71.959 20.767 -1.068 1.00 0.00 C +ATOM 3341 CD1 LEU B 72 71.819 19.631 -2.075 1.00 0.00 C +ATOM 3342 CD2 LEU B 72 72.287 20.231 0.321 1.00 0.00 C +ATOM 3343 N ASN B 73 71.877 24.488 -2.174 1.00 0.00 N +ATOM 3344 CA ASN B 73 70.774 25.454 -2.082 1.00 0.00 C +ATOM 3345 C ASN B 73 70.333 25.856 -3.473 1.00 0.00 C +ATOM 3346 O ASN B 73 69.160 26.152 -3.684 1.00 0.00 O +ATOM 3347 CB ASN B 73 71.180 26.722 -1.297 1.00 0.00 C +ATOM 3348 CG ASN B 73 71.649 26.423 0.137 1.00 0.00 C +ATOM 3349 OD1 ASN B 73 71.261 25.426 0.751 1.00 0.00 O +ATOM 3350 ND2 ASN B 73 72.478 27.316 0.678 1.00 0.00 N +ATOM 3351 N TYR B 74 71.273 25.854 -4.414 1.00 0.00 N +ATOM 3352 CA TYR B 74 71.008 26.242 -5.793 1.00 0.00 C +ATOM 3353 C TYR B 74 70.244 25.182 -6.527 1.00 0.00 C +ATOM 3354 O TYR B 74 69.306 25.483 -7.252 1.00 0.00 O +ATOM 3355 CB TYR B 74 72.324 26.527 -6.508 1.00 0.00 C +ATOM 3356 CG TYR B 74 72.743 27.964 -6.366 1.00 0.00 C +ATOM 3357 CD1 TYR B 74 72.231 28.936 -7.219 1.00 0.00 C +ATOM 3358 CD2 TYR B 74 73.591 28.371 -5.337 1.00 0.00 C +ATOM 3359 CE1 TYR B 74 72.545 30.274 -7.059 1.00 0.00 C +ATOM 3360 CE2 TYR B 74 73.912 29.713 -5.165 1.00 0.00 C +ATOM 3361 CZ TYR B 74 73.382 30.661 -6.032 1.00 0.00 C +ATOM 3362 OH TYR B 74 73.675 31.999 -5.877 1.00 0.00 O +ATOM 3363 N ILE B 75 70.637 23.936 -6.345 1.00 0.12 N +ATOM 3364 CA ILE B 75 69.967 22.851 -7.025 1.00 0.12 C +ATOM 3365 C ILE B 75 68.519 22.719 -6.539 1.00 0.12 C +ATOM 3366 O ILE B 75 67.599 22.659 -7.364 1.00 0.12 O +ATOM 3367 CB ILE B 75 70.772 21.522 -6.826 1.00 0.12 C +ATOM 3368 CG1 ILE B 75 72.087 21.593 -7.627 1.00 0.12 C +ATOM 3369 CG2 ILE B 75 69.936 20.311 -7.224 1.00 0.12 C +ATOM 3370 CD1 ILE B 75 71.947 21.724 -9.155 1.00 0.12 C +ATOM 3371 N LEU B 76 68.300 22.715 -5.226 1.00 0.01 N +ATOM 3372 CA LEU B 76 66.946 22.544 -4.719 1.00 0.01 C +ATOM 3373 C LEU B 76 66.019 23.713 -5.036 1.00 0.01 C +ATOM 3374 O LEU B 76 64.802 23.527 -4.999 1.00 0.01 O +ATOM 3375 CB LEU B 76 66.956 22.166 -3.229 1.00 0.01 C +ATOM 3376 CG LEU B 76 67.191 20.642 -3.190 1.00 0.01 C +ATOM 3377 CD1 LEU B 76 68.670 20.317 -3.174 1.00 0.01 C +ATOM 3378 CD2 LEU B 76 66.525 20.040 -1.997 1.00 0.01 C +ATOM 3379 N LEU B 77 66.525 24.898 -5.360 1.00 0.78 N +ATOM 3380 CA LEU B 77 65.568 25.936 -5.731 1.00 0.78 C +ATOM 3381 C LEU B 77 65.118 25.555 -7.133 1.00 0.78 C +ATOM 3382 O LEU B 77 63.928 25.654 -7.484 1.00 0.78 O +ATOM 3383 CB LEU B 77 66.204 27.330 -5.740 1.00 0.78 C +ATOM 3384 CG LEU B 77 65.211 28.400 -6.227 1.00 0.78 C +ATOM 3385 CD1 LEU B 77 64.056 28.532 -5.250 1.00 0.78 C +ATOM 3386 CD2 LEU B 77 65.898 29.730 -6.385 1.00 0.78 C +ATOM 3387 N ASN B 78 66.096 25.095 -7.917 1.00 0.00 N +ATOM 3388 CA ASN B 78 65.888 24.648 -9.290 1.00 0.00 C +ATOM 3389 C ASN B 78 64.725 23.702 -9.208 1.00 0.00 C +ATOM 3390 O ASN B 78 63.634 24.022 -9.673 1.00 0.00 O +ATOM 3391 CB ASN B 78 67.158 23.927 -9.788 1.00 0.00 C +ATOM 3392 CG ASN B 78 67.359 24.032 -11.296 1.00 0.00 C +ATOM 3393 OD1 ASN B 78 66.862 24.950 -11.938 1.00 0.00 O +ATOM 3394 ND2 ASN B 78 68.118 23.094 -11.857 1.00 0.00 N +ATOM 3395 N LEU B 79 64.953 22.568 -8.559 1.00 0.00 N +ATOM 3396 CA LEU B 79 63.929 21.564 -8.365 1.00 0.00 C +ATOM 3397 C LEU B 79 62.645 22.202 -7.911 1.00 0.00 C +ATOM 3398 O LEU B 79 61.597 21.867 -8.443 1.00 0.00 O +ATOM 3399 CB LEU B 79 64.399 20.555 -7.333 1.00 0.00 C +ATOM 3400 CG LEU B 79 65.421 19.535 -7.844 1.00 0.00 C +ATOM 3401 CD1 LEU B 79 66.486 20.220 -8.664 1.00 0.00 C +ATOM 3402 CD2 LEU B 79 66.037 18.812 -6.671 1.00 0.00 C +ATOM 3403 N ALA B 80 62.706 23.113 -6.946 1.00 0.01 N +ATOM 3404 CA ALA B 80 61.495 23.769 -6.466 1.00 0.01 C +ATOM 3405 C ALA B 80 60.809 24.436 -7.629 1.00 0.01 C +ATOM 3406 O ALA B 80 59.586 24.398 -7.700 1.00 0.01 O +ATOM 3407 CB ALA B 80 61.828 24.801 -5.392 1.00 0.01 C +ATOM 3408 N VAL B 81 61.584 25.030 -8.536 1.00 3.81 N +ATOM 3409 CA VAL B 81 61.029 25.714 -9.714 1.00 3.81 C +ATOM 3410 C VAL B 81 60.579 24.737 -10.799 1.00 3.81 C +ATOM 3411 O VAL B 81 59.611 24.989 -11.497 1.00 3.81 O +ATOM 3412 CB VAL B 81 62.053 26.676 -10.344 1.00 3.81 C +ATOM 3413 CG1 VAL B 81 61.572 27.134 -11.704 1.00 3.81 C +ATOM 3414 CG2 VAL B 81 62.231 27.867 -9.466 1.00 3.81 C +ATOM 3415 N ALA B 82 61.301 23.646 -10.970 1.00 0.10 N +ATOM 3416 CA ALA B 82 60.922 22.675 -11.968 1.00 0.10 C +ATOM 3417 C ALA B 82 59.637 22.000 -11.486 1.00 0.10 C +ATOM 3418 O ALA B 82 58.757 21.652 -12.293 1.00 0.10 O +ATOM 3419 CB ALA B 82 62.048 21.654 -12.134 1.00 0.10 C +ATOM 3420 N ASP B 83 59.521 21.851 -10.169 1.00 0.00 N +ATOM 3421 CA ASP B 83 58.362 21.202 -9.581 1.00 0.00 C +ATOM 3422 C ASP B 83 57.132 22.061 -9.726 1.00 0.00 C +ATOM 3423 O ASP B 83 56.035 21.537 -9.941 1.00 0.00 O +ATOM 3424 CB ASP B 83 58.611 20.907 -8.109 1.00 0.00 C +ATOM 3425 CG ASP B 83 59.601 19.787 -7.904 1.00 0.00 C +ATOM 3426 OD1 ASP B 83 60.020 19.152 -8.901 1.00 0.00 O +ATOM 3427 OD2 ASP B 83 59.955 19.542 -6.734 1.00 0.00 O +ATOM 3428 N LEU B 84 57.291 23.370 -9.608 1.00 0.00 N +ATOM 3429 CA LEU B 84 56.151 24.258 -9.744 1.00 0.00 C +ATOM 3430 C LEU B 84 55.631 24.226 -11.180 1.00 0.00 C +ATOM 3431 O LEU B 84 54.460 24.508 -11.416 1.00 0.00 O +ATOM 3432 CB LEU B 84 56.544 25.674 -9.327 1.00 0.00 C +ATOM 3433 CG LEU B 84 56.776 25.860 -7.823 1.00 0.00 C +ATOM 3434 CD1 LEU B 84 57.380 27.236 -7.592 1.00 0.00 C +ATOM 3435 CD2 LEU B 84 55.459 25.685 -7.052 1.00 0.00 C +ATOM 3436 N PHE B 85 56.492 23.889 -12.137 1.00 0.02 N +ATOM 3437 CA PHE B 85 56.064 23.789 -13.533 1.00 0.02 C +ATOM 3438 C PHE B 85 55.271 22.522 -13.732 1.00 0.02 C +ATOM 3439 O PHE B 85 54.204 22.558 -14.351 1.00 0.02 O +ATOM 3440 CB PHE B 85 57.256 23.788 -14.480 1.00 0.02 C +ATOM 3441 CG PHE B 85 57.716 25.148 -14.826 1.00 0.02 C +ATOM 3442 CD1 PHE B 85 56.831 26.048 -15.411 1.00 0.02 C +ATOM 3443 CD2 PHE B 85 59.019 25.548 -14.552 1.00 0.02 C +ATOM 3444 CE1 PHE B 85 57.240 27.341 -15.717 1.00 0.02 C +ATOM 3445 CE2 PHE B 85 59.444 26.835 -14.852 1.00 0.02 C +ATOM 3446 CZ PHE B 85 58.554 27.740 -15.438 1.00 0.02 C +ATOM 3447 N MET B 86 55.786 21.405 -13.231 1.00 4.69 N +ATOM 3448 CA MET B 86 55.062 20.154 -13.348 1.00 4.69 C +ATOM 3449 C MET B 86 53.657 20.393 -12.859 1.00 4.69 C +ATOM 3450 O MET B 86 52.716 20.196 -13.606 1.00 4.69 O +ATOM 3451 CB MET B 86 55.708 19.075 -12.481 1.00 4.69 C +ATOM 3452 CG MET B 86 57.158 18.783 -12.808 1.00 4.69 C +ATOM 3453 SD MET B 86 57.787 17.414 -11.823 1.00 4.69 S +ATOM 3454 CE MET B 86 57.243 16.022 -12.752 1.00 4.69 C +ATOM 3455 N VAL B 87 53.539 20.852 -11.615 1.00 0.01 N +ATOM 3456 CA VAL B 87 52.253 21.099 -10.974 1.00 0.01 C +ATOM 3457 C VAL B 87 51.309 21.976 -11.802 1.00 0.01 C +ATOM 3458 O VAL B 87 50.184 21.550 -12.117 1.00 0.01 O +ATOM 3459 CB VAL B 87 52.461 21.733 -9.586 1.00 0.01 C +ATOM 3460 CG1 VAL B 87 51.145 22.208 -9.020 1.00 0.01 C +ATOM 3461 CG2 VAL B 87 53.079 20.719 -8.653 1.00 0.01 C +ATOM 3462 N PHE B 88 51.749 23.181 -12.155 1.00 0.20 N +ATOM 3463 CA PHE B 88 50.905 24.116 -12.907 1.00 0.20 C +ATOM 3464 C PHE B 88 50.934 23.851 -14.380 1.00 0.20 C +ATOM 3465 O PHE B 88 49.897 23.896 -15.008 1.00 0.20 O +ATOM 3466 CB PHE B 88 51.339 25.563 -12.626 1.00 0.20 C +ATOM 3467 CG PHE B 88 51.028 26.028 -11.224 1.00 0.20 C +ATOM 3468 CD1 PHE B 88 49.712 26.259 -10.831 1.00 0.20 C +ATOM 3469 CD2 PHE B 88 52.044 26.193 -10.284 1.00 0.20 C +ATOM 3470 CE1 PHE B 88 49.416 26.640 -9.532 1.00 0.20 C +ATOM 3471 CE2 PHE B 88 51.756 26.573 -8.988 1.00 0.20 C +ATOM 3472 CZ PHE B 88 50.443 26.797 -8.609 1.00 0.20 C +ATOM 3473 N GLY B 89 52.111 23.580 -14.930 1.00 0.47 N +ATOM 3474 CA GLY B 89 52.219 23.316 -16.351 1.00 0.47 C +ATOM 3475 C GLY B 89 51.633 21.995 -16.827 1.00 0.47 C +ATOM 3476 O GLY B 89 51.060 21.932 -17.903 1.00 0.47 O +ATOM 3477 N GLY B 90 51.763 20.939 -16.032 1.00 71.99 N +ATOM 3478 CA GLY B 90 51.249 19.654 -16.469 1.00 71.99 C +ATOM 3479 C GLY B 90 50.197 18.987 -15.617 1.00 71.99 C +ATOM 3480 O GLY B 90 49.222 18.497 -16.143 1.00 71.99 O +ATOM 3481 N PHE B 91 50.393 18.976 -14.305 1.00 13.02 N +ATOM 3482 CA PHE B 91 49.458 18.331 -13.390 1.00 13.02 C +ATOM 3483 C PHE B 91 48.070 18.877 -13.542 1.00 13.02 C +ATOM 3484 O PHE B 91 47.083 18.166 -13.329 1.00 13.02 O +ATOM 3485 CB PHE B 91 49.943 18.457 -11.946 1.00 13.02 C +ATOM 3486 CG PHE B 91 51.128 17.588 -11.643 1.00 13.02 C +ATOM 3487 CD1 PHE B 91 51.667 16.762 -12.627 1.00 13.02 C +ATOM 3488 CD2 PHE B 91 51.702 17.579 -10.379 1.00 13.02 C +ATOM 3489 CE1 PHE B 91 52.752 15.948 -12.359 1.00 13.02 C +ATOM 3490 CE2 PHE B 91 52.798 16.759 -10.103 1.00 13.02 C +ATOM 3491 CZ PHE B 91 53.321 15.944 -11.098 1.00 13.02 C +ATOM 3492 N THR B 92 47.966 20.128 -13.937 1.00 5.97 N +ATOM 3493 CA THR B 92 46.650 20.709 -14.110 1.00 5.97 C +ATOM 3494 C THR B 92 45.896 20.014 -15.248 1.00 5.97 C +ATOM 3495 O THR B 92 44.708 19.767 -15.124 1.00 5.97 O +ATOM 3496 CB THR B 92 46.784 22.205 -14.370 1.00 5.97 C +ATOM 3497 OG1 THR B 92 47.801 22.428 -15.365 1.00 5.97 O +ATOM 3498 CG2 THR B 92 47.163 22.920 -13.069 1.00 5.97 C +ATOM 3499 N THR B 93 46.578 19.694 -16.341 1.00 2.15 N +ATOM 3500 CA THR B 93 45.922 19.029 -17.448 1.00 2.15 C +ATOM 3501 C THR B 93 45.638 17.602 -17.084 1.00 2.15 C +ATOM 3502 O THR B 93 44.605 17.081 -17.467 1.00 2.15 O +ATOM 3503 CB THR B 93 46.798 19.018 -18.711 1.00 2.15 C +ATOM 3504 OG1 THR B 93 46.911 20.339 -19.244 1.00 2.15 O +ATOM 3505 CG2 THR B 93 46.184 18.124 -19.771 1.00 2.15 C +ATOM 3506 N THR B 94 46.536 16.963 -16.343 1.00 5.52 N +ATOM 3507 CA THR B 94 46.335 15.562 -16.003 1.00 5.52 C +ATOM 3508 C THR B 94 45.161 15.368 -15.083 1.00 5.52 C +ATOM 3509 O THR B 94 44.559 14.284 -15.107 1.00 5.52 O +ATOM 3510 CB THR B 94 47.636 14.892 -15.429 1.00 5.52 C +ATOM 3511 OG1 THR B 94 47.295 13.694 -14.713 1.00 5.52 O +ATOM 3512 CG2 THR B 94 48.399 15.831 -14.562 1.00 5.52 C +ATOM 3513 N LEU B 95 44.817 16.417 -14.324 1.00 0.66 N +ATOM 3514 CA LEU B 95 43.667 16.413 -13.401 1.00 0.66 C +ATOM 3515 C LEU B 95 42.374 16.586 -14.195 1.00 0.66 C +ATOM 3516 O LEU B 95 41.427 15.833 -14.041 1.00 0.66 O +ATOM 3517 CB LEU B 95 43.793 17.560 -12.397 1.00 0.66 C +ATOM 3518 CG LEU B 95 42.590 17.701 -11.462 1.00 0.66 C +ATOM 3519 CD1 LEU B 95 42.288 16.376 -10.802 1.00 0.66 C +ATOM 3520 CD2 LEU B 95 42.875 18.733 -10.415 1.00 0.66 C +ATOM 3521 N TYR B 96 42.360 17.599 -15.044 1.00 0.59 N +ATOM 3522 CA TYR B 96 41.229 17.905 -15.887 1.00 0.59 C +ATOM 3523 C TYR B 96 40.889 16.706 -16.755 1.00 0.59 C +ATOM 3524 O TYR B 96 39.722 16.329 -16.870 1.00 0.59 O +ATOM 3525 CB TYR B 96 41.599 19.078 -16.766 1.00 0.59 C +ATOM 3526 CG TYR B 96 40.440 19.614 -17.554 1.00 0.59 C +ATOM 3527 CD1 TYR B 96 39.474 20.423 -16.951 1.00 0.59 C +ATOM 3528 CD2 TYR B 96 40.299 19.311 -18.907 1.00 0.59 C +ATOM 3529 CE1 TYR B 96 38.389 20.918 -17.681 1.00 0.59 C +ATOM 3530 CE2 TYR B 96 39.225 19.804 -19.649 1.00 0.59 C +ATOM 3531 CZ TYR B 96 38.271 20.605 -19.035 1.00 0.59 C +ATOM 3532 OH TYR B 96 37.203 21.061 -19.782 1.00 0.59 O +ATOM 3533 N THR B 97 41.914 16.130 -17.375 1.00 0.29 N +ATOM 3534 CA THR B 97 41.780 14.956 -18.247 1.00 0.29 C +ATOM 3535 C THR B 97 41.136 13.788 -17.492 1.00 0.29 C +ATOM 3536 O THR B 97 40.156 13.210 -17.956 1.00 0.29 O +ATOM 3537 CB THR B 97 43.181 14.528 -18.794 1.00 0.29 C +ATOM 3538 OG1 THR B 97 43.722 15.586 -19.594 1.00 0.29 O +ATOM 3539 CG2 THR B 97 43.089 13.291 -19.646 1.00 0.29 C +ATOM 3540 N SER B 98 41.689 13.441 -16.339 1.00 0.21 N +ATOM 3541 CA SER B 98 41.149 12.353 -15.535 1.00 0.21 C +ATOM 3542 C SER B 98 39.710 12.668 -15.174 1.00 0.21 C +ATOM 3543 O SER B 98 38.865 11.765 -15.132 1.00 0.21 O +ATOM 3544 CB SER B 98 41.959 12.192 -14.240 1.00 0.21 C +ATOM 3545 OG SER B 98 43.346 12.027 -14.487 1.00 0.21 O +ATOM 3546 N LEU B 99 39.435 13.942 -14.895 1.00 0.38 N +ATOM 3547 CA LEU B 99 38.094 14.367 -14.526 1.00 0.38 C +ATOM 3548 C LEU B 99 37.143 14.118 -15.645 1.00 0.38 C +ATOM 3549 O LEU B 99 35.946 14.033 -15.399 1.00 0.38 O +ATOM 3550 CB LEU B 99 38.075 15.845 -14.160 1.00 0.38 C +ATOM 3551 CG LEU B 99 38.606 16.091 -12.752 1.00 0.38 C +ATOM 3552 CD1 LEU B 99 38.696 17.582 -12.476 1.00 0.38 C +ATOM 3553 CD2 LEU B 99 37.702 15.410 -11.758 1.00 0.38 C +ATOM 3554 N HIS B 100 37.658 13.967 -16.862 1.00 2.01 N +ATOM 3555 CA HIS B 100 36.804 13.749 -18.020 1.00 2.01 C +ATOM 3556 C HIS B 100 36.953 12.394 -18.633 1.00 2.01 C +ATOM 3557 O HIS B 100 36.100 11.995 -19.386 1.00 2.01 O +ATOM 3558 CB HIS B 100 37.075 14.837 -19.037 1.00 2.01 C +ATOM 3559 CG HIS B 100 36.742 16.193 -18.521 1.00 2.01 C +ATOM 3560 ND1 HIS B 100 35.469 16.528 -18.114 1.00 2.01 N +ATOM 3561 CD2 HIS B 100 37.521 17.263 -18.249 1.00 2.01 C +ATOM 3562 CE1 HIS B 100 35.479 17.748 -17.610 1.00 2.01 C +ATOM 3563 NE2 HIS B 100 36.712 18.216 -17.679 1.00 2.01 N +ATOM 3564 N GLY B 101 38.018 11.673 -18.334 1.00 0.04 N +ATOM 3565 CA GLY B 101 38.140 10.362 -18.927 1.00 0.04 C +ATOM 3566 C GLY B 101 38.967 10.323 -20.191 1.00 0.04 C +ATOM 3567 O GLY B 101 39.250 9.251 -20.698 1.00 0.04 O +ATOM 3568 N TYR B 102 39.343 11.483 -20.716 1.00 0.01 N +ATOM 3569 CA TYR B 102 40.178 11.542 -21.916 1.00 0.01 C +ATOM 3570 C TYR B 102 40.729 12.915 -22.057 1.00 0.01 C +ATOM 3571 O TYR B 102 40.343 13.810 -21.305 1.00 0.01 O +ATOM 3572 CB TYR B 102 39.403 11.214 -23.187 1.00 0.01 C +ATOM 3573 CG TYR B 102 38.401 12.264 -23.565 1.00 0.01 C +ATOM 3574 CD1 TYR B 102 37.160 12.322 -22.925 1.00 0.01 C +ATOM 3575 CD2 TYR B 102 38.698 13.224 -24.537 1.00 0.01 C +ATOM 3576 CE1 TYR B 102 36.231 13.310 -23.235 1.00 0.01 C +ATOM 3577 CE2 TYR B 102 37.777 14.223 -24.859 1.00 0.01 C +ATOM 3578 CZ TYR B 102 36.546 14.258 -24.198 1.00 0.01 C +ATOM 3579 OH TYR B 102 35.628 15.246 -24.471 1.00 0.01 O +ATOM 3580 N PHE B 103 41.629 13.088 -23.022 1.00 0.02 N +ATOM 3581 CA PHE B 103 42.255 14.383 -23.260 1.00 0.02 C +ATOM 3582 C PHE B 103 41.297 15.280 -23.966 1.00 0.02 C +ATOM 3583 O PHE B 103 41.318 15.360 -25.185 1.00 0.02 O +ATOM 3584 CB PHE B 103 43.541 14.206 -24.064 1.00 0.02 C +ATOM 3585 CG PHE B 103 44.739 13.982 -23.205 1.00 0.02 C +ATOM 3586 CD1 PHE B 103 45.437 15.061 -22.672 1.00 0.02 C +ATOM 3587 CD2 PHE B 103 45.121 12.694 -22.850 1.00 0.02 C +ATOM 3588 CE1 PHE B 103 46.489 14.863 -21.798 1.00 0.02 C +ATOM 3589 CE2 PHE B 103 46.174 12.487 -21.973 1.00 0.02 C +ATOM 3590 CZ PHE B 103 46.860 13.574 -21.446 1.00 0.02 C +ATOM 3591 N VAL B 104 40.443 15.950 -23.201 1.00 0.26 N +ATOM 3592 CA VAL B 104 39.464 16.836 -23.807 1.00 0.26 C +ATOM 3593 C VAL B 104 40.197 17.962 -24.556 1.00 0.26 C +ATOM 3594 O VAL B 104 39.683 18.439 -25.581 1.00 0.26 O +ATOM 3595 CB VAL B 104 38.459 17.411 -22.749 1.00 0.26 C +ATOM 3596 CG1 VAL B 104 38.603 16.680 -21.421 1.00 0.26 C +ATOM 3597 CG2 VAL B 104 38.665 18.893 -22.583 1.00 0.26 C +ATOM 3598 N PHE B 105 41.385 18.360 -24.080 1.00 0.02 N +ATOM 3599 CA PHE B 105 42.171 19.422 -24.739 1.00 0.02 C +ATOM 3600 C PHE B 105 43.006 18.855 -25.874 1.00 0.02 C +ATOM 3601 O PHE B 105 44.030 19.438 -26.197 1.00 0.02 O +ATOM 3602 CB PHE B 105 43.142 20.112 -23.763 1.00 0.02 C +ATOM 3603 CG PHE B 105 42.476 20.773 -22.584 1.00 0.02 C +ATOM 3604 CD1 PHE B 105 41.423 21.689 -22.771 1.00 0.02 C +ATOM 3605 CD2 PHE B 105 42.918 20.499 -21.280 1.00 0.02 C +ATOM 3606 CE1 PHE B 105 40.811 22.329 -21.674 1.00 0.02 C +ATOM 3607 CE2 PHE B 105 42.317 21.130 -20.177 1.00 0.02 C +ATOM 3608 CZ PHE B 105 41.257 22.050 -20.376 1.00 0.02 C +ATOM 3609 N GLY B 106 42.601 17.732 -26.460 1.00 0.00 N +ATOM 3610 CA GLY B 106 43.376 17.161 -27.544 1.00 0.00 C +ATOM 3611 C GLY B 106 44.880 17.065 -27.309 1.00 0.00 C +ATOM 3612 O GLY B 106 45.358 17.100 -26.172 1.00 0.00 O +ATOM 3613 N PRO B 107 45.661 16.940 -28.392 1.00 1.01 N +ATOM 3614 CA PRO B 107 47.122 16.831 -28.327 1.00 1.01 C +ATOM 3615 C PRO B 107 47.890 17.962 -27.677 1.00 1.01 C +ATOM 3616 O PRO B 107 49.022 17.744 -27.265 1.00 1.01 O +ATOM 3617 CB PRO B 107 47.527 16.584 -29.785 1.00 1.01 C +ATOM 3618 CG PRO B 107 46.362 17.071 -30.580 1.00 1.01 C +ATOM 3619 CD PRO B 107 45.180 16.684 -29.761 1.00 1.01 C +ATOM 3620 N THR B 108 47.313 19.155 -27.585 1.00 1.60 N +ATOM 3621 CA THR B 108 48.017 20.241 -26.917 1.00 1.60 C +ATOM 3622 C THR B 108 48.094 19.897 -25.444 1.00 1.60 C +ATOM 3623 O THR B 108 49.162 20.027 -24.853 1.00 1.60 O +ATOM 3624 CB THR B 108 47.286 21.577 -27.090 1.00 1.60 C +ATOM 3625 OG1 THR B 108 47.546 22.078 -28.400 1.00 1.60 O +ATOM 3626 CG2 THR B 108 47.760 22.594 -26.066 1.00 1.60 C +ATOM 3627 N GLY B 109 46.970 19.451 -24.869 1.00 0.54 N +ATOM 3628 CA GLY B 109 46.921 19.076 -23.461 1.00 0.54 C +ATOM 3629 C GLY B 109 47.884 17.937 -23.198 1.00 0.54 C +ATOM 3630 O GLY B 109 48.552 17.907 -22.161 1.00 0.54 O +ATOM 3631 N CYS B 110 47.946 17.011 -24.159 1.00 0.00 N +ATOM 3632 CA CYS B 110 48.819 15.851 -24.107 1.00 0.00 C +ATOM 3633 C CYS B 110 50.260 16.303 -24.101 1.00 0.00 C +ATOM 3634 O CYS B 110 51.107 15.676 -23.430 1.00 0.00 O +ATOM 3635 CB CYS B 110 48.573 14.995 -25.335 1.00 0.00 C +ATOM 3636 SG CYS B 110 49.521 13.449 -25.467 1.00 0.00 S +ATOM 3637 N ASN B 111 50.546 17.360 -24.872 1.00 0.05 N +ATOM 3638 CA ASN B 111 51.894 17.929 -24.942 1.00 0.05 C +ATOM 3639 C ASN B 111 52.190 18.615 -23.621 1.00 0.05 C +ATOM 3640 O ASN B 111 53.293 18.483 -23.093 1.00 0.05 O +ATOM 3641 CB ASN B 111 52.008 18.945 -26.083 1.00 0.05 C +ATOM 3642 CG ASN B 111 51.867 18.306 -27.454 1.00 0.05 C +ATOM 3643 OD1 ASN B 111 52.535 17.319 -27.775 1.00 0.05 O +ATOM 3644 ND2 ASN B 111 51.003 18.882 -28.277 1.00 0.05 N +ATOM 3645 N LEU B 112 51.211 19.336 -23.088 1.00 1.54 N +ATOM 3646 CA LEU B 112 51.393 20.000 -21.816 1.00 1.54 C +ATOM 3647 C LEU B 112 51.698 18.950 -20.781 1.00 1.54 C +ATOM 3648 O LEU B 112 52.733 19.010 -20.111 1.00 1.54 O +ATOM 3649 CB LEU B 112 50.125 20.766 -21.429 1.00 1.54 C +ATOM 3650 CG LEU B 112 49.887 22.087 -22.159 1.00 1.54 C +ATOM 3651 CD1 LEU B 112 48.601 22.714 -21.671 1.00 1.54 C +ATOM 3652 CD2 LEU B 112 51.063 23.009 -21.914 1.00 1.54 C +ATOM 3653 N GLU B 113 50.807 17.975 -20.668 1.00 0.65 N +ATOM 3654 CA GLU B 113 50.958 16.904 -19.696 1.00 0.65 C +ATOM 3655 C GLU B 113 52.341 16.252 -19.816 1.00 0.65 C +ATOM 3656 O GLU B 113 53.090 16.208 -18.824 1.00 0.65 O +ATOM 3657 CB GLU B 113 49.842 15.871 -19.903 1.00 0.65 C +ATOM 3658 CG GLU B 113 49.261 15.297 -18.638 1.00 0.65 C +ATOM 3659 CD GLU B 113 50.249 14.445 -17.865 1.00 0.65 C +ATOM 3660 OE1 GLU B 113 50.825 13.517 -18.464 1.00 0.65 O +ATOM 3661 OE2 GLU B 113 50.441 14.698 -16.651 1.00 0.65 O +ATOM 3662 N GLY B 114 52.692 15.773 -21.009 1.00 1.33 N +ATOM 3663 CA GLY B 114 53.976 15.117 -21.197 1.00 1.33 C +ATOM 3664 C GLY B 114 55.256 15.941 -21.102 1.00 1.33 C +ATOM 3665 O GLY B 114 56.221 15.509 -20.474 1.00 1.33 O +ATOM 3666 N PHE B 115 55.271 17.124 -21.716 1.00 0.30 N +ATOM 3667 CA PHE B 115 56.469 17.976 -21.725 1.00 0.30 C +ATOM 3668 C PHE B 115 56.942 18.317 -20.337 1.00 0.30 C +ATOM 3669 O PHE B 115 58.116 18.084 -20.006 1.00 0.30 O +ATOM 3670 CB PHE B 115 56.219 19.289 -22.471 1.00 0.30 C +ATOM 3671 CG PHE B 115 57.355 20.267 -22.357 1.00 0.30 C +ATOM 3672 CD1 PHE B 115 58.497 20.114 -23.127 1.00 0.30 C +ATOM 3673 CD2 PHE B 115 57.294 21.317 -21.450 1.00 0.30 C +ATOM 3674 CE1 PHE B 115 59.554 20.983 -22.999 1.00 0.30 C +ATOM 3675 CE2 PHE B 115 58.349 22.188 -21.318 1.00 0.30 C +ATOM 3676 CZ PHE B 115 59.483 22.022 -22.094 1.00 0.30 C +ATOM 3677 N PHE B 116 56.047 18.893 -19.542 1.00 8.79 N +ATOM 3678 CA PHE B 116 56.384 19.301 -18.189 1.00 8.79 C +ATOM 3679 C PHE B 116 56.739 18.153 -17.310 1.00 8.79 C +ATOM 3680 O PHE B 116 57.668 18.283 -16.526 1.00 8.79 O +ATOM 3681 CB PHE B 116 55.245 20.113 -17.591 1.00 8.79 C +ATOM 3682 CG PHE B 116 55.170 21.478 -18.152 1.00 8.79 C +ATOM 3683 CD1 PHE B 116 56.263 22.335 -18.033 1.00 8.79 C +ATOM 3684 CD2 PHE B 116 54.055 21.894 -18.864 1.00 8.79 C +ATOM 3685 CE1 PHE B 116 56.248 23.575 -18.612 1.00 8.79 C +ATOM 3686 CE2 PHE B 116 54.025 23.149 -19.459 1.00 8.79 C +ATOM 3687 CZ PHE B 116 55.129 23.992 -19.333 1.00 8.79 C +ATOM 3688 N ALA B 117 56.023 17.042 -17.423 1.00 0.75 N +ATOM 3689 CA ALA B 117 56.337 15.897 -16.602 1.00 0.75 C +ATOM 3690 C ALA B 117 57.717 15.421 -16.992 1.00 0.75 C +ATOM 3691 O ALA B 117 58.470 14.906 -16.157 1.00 0.75 O +ATOM 3692 CB ALA B 117 55.305 14.809 -16.818 1.00 0.75 C +ATOM 3693 N THR B 118 58.062 15.615 -18.260 1.00 3.01 N +ATOM 3694 CA THR B 118 59.361 15.204 -18.751 1.00 3.01 C +ATOM 3695 C THR B 118 60.393 16.268 -18.431 1.00 3.01 C +ATOM 3696 O THR B 118 61.502 15.934 -18.009 1.00 3.01 O +ATOM 3697 CB THR B 118 59.321 14.980 -20.248 1.00 3.01 C +ATOM 3698 OG1 THR B 118 58.354 13.965 -20.545 1.00 3.01 O +ATOM 3699 CG2 THR B 118 60.678 14.531 -20.742 1.00 3.01 C +ATOM 3700 N LEU B 119 60.051 17.535 -18.637 1.00 0.85 N +ATOM 3701 CA LEU B 119 60.975 18.612 -18.321 1.00 0.85 C +ATOM 3702 C LEU B 119 61.363 18.478 -16.845 1.00 0.85 C +ATOM 3703 O LEU B 119 62.543 18.542 -16.492 1.00 0.85 O +ATOM 3704 CB LEU B 119 60.299 19.967 -18.552 1.00 0.85 C +ATOM 3705 CG LEU B 119 61.079 21.149 -19.157 1.00 0.85 C +ATOM 3706 CD1 LEU B 119 60.573 22.429 -18.505 1.00 0.85 C +ATOM 3707 CD2 LEU B 119 62.584 20.997 -18.953 1.00 0.85 C +ATOM 3708 N GLY B 120 60.357 18.269 -15.998 1.00 0.44 N +ATOM 3709 CA GLY B 120 60.571 18.130 -14.567 1.00 0.44 C +ATOM 3710 C GLY B 120 61.428 16.959 -14.112 1.00 0.44 C +ATOM 3711 O GLY B 120 62.316 17.139 -13.272 1.00 0.44 O +ATOM 3712 N GLY B 121 61.161 15.764 -14.636 1.00 0.00 N +ATOM 3713 CA GLY B 121 61.944 14.591 -14.261 1.00 0.00 C +ATOM 3714 C GLY B 121 63.396 14.614 -14.739 1.00 0.00 C +ATOM 3715 O GLY B 121 64.305 14.182 -14.011 1.00 0.00 O +ATOM 3716 N GLU B 122 63.623 15.106 -15.959 1.00 4.56 N +ATOM 3717 CA GLU B 122 64.967 15.182 -16.507 1.00 4.56 C +ATOM 3718 C GLU B 122 65.778 16.275 -15.808 1.00 4.56 C +ATOM 3719 O GLU B 122 66.979 16.098 -15.606 1.00 4.56 O +ATOM 3720 CB GLU B 122 64.909 15.401 -18.013 1.00 4.56 C +ATOM 3721 CG GLU B 122 64.750 14.103 -18.809 1.00 4.56 C +ATOM 3722 CD GLU B 122 65.939 13.130 -18.650 1.00 4.56 C +ATOM 3723 OE1 GLU B 122 67.103 13.589 -18.643 1.00 4.56 O +ATOM 3724 OE2 GLU B 122 65.728 11.898 -18.552 1.00 4.56 O +ATOM 3725 N ILE B 123 65.161 17.401 -15.454 1.00 0.11 N +ATOM 3726 CA ILE B 123 65.904 18.423 -14.731 1.00 0.11 C +ATOM 3727 C ILE B 123 66.383 17.788 -13.452 1.00 0.11 C +ATOM 3728 O ILE B 123 67.468 18.075 -12.975 1.00 0.11 O +ATOM 3729 CB ILE B 123 65.020 19.623 -14.372 1.00 0.11 C +ATOM 3730 CG1 ILE B 123 64.944 20.575 -15.557 1.00 0.11 C +ATOM 3731 CG2 ILE B 123 65.568 20.345 -13.149 1.00 0.11 C +ATOM 3732 CD1 ILE B 123 64.030 21.756 -15.306 1.00 0.11 C +ATOM 3733 N ALA B 124 65.565 16.897 -12.916 1.00 0.27 N +ATOM 3734 CA ALA B 124 65.879 16.211 -11.679 1.00 0.27 C +ATOM 3735 C ALA B 124 67.022 15.264 -11.877 1.00 0.27 C +ATOM 3736 O ALA B 124 67.832 15.113 -10.984 1.00 0.27 O +ATOM 3737 CB ALA B 124 64.654 15.459 -11.174 1.00 0.27 C +ATOM 3738 N LEU B 125 67.104 14.615 -13.028 1.00 0.94 N +ATOM 3739 CA LEU B 125 68.193 13.670 -13.254 1.00 0.94 C +ATOM 3740 C LEU B 125 69.481 14.421 -13.525 1.00 0.94 C +ATOM 3741 O LEU B 125 70.539 14.015 -13.035 1.00 0.94 O +ATOM 3742 CB LEU B 125 67.870 12.735 -14.426 1.00 0.94 C +ATOM 3743 CG LEU B 125 68.936 11.719 -14.850 1.00 0.94 C +ATOM 3744 CD1 LEU B 125 69.277 10.801 -13.697 1.00 0.94 C +ATOM 3745 CD2 LEU B 125 68.434 10.919 -16.049 1.00 0.94 C +ATOM 3746 N TRP B 126 69.411 15.510 -14.287 1.00 0.37 N +ATOM 3747 CA TRP B 126 70.620 16.270 -14.583 1.00 0.37 C +ATOM 3748 C TRP B 126 71.157 16.895 -13.316 1.00 0.37 C +ATOM 3749 O TRP B 126 72.351 16.764 -13.040 1.00 0.37 O +ATOM 3750 CB TRP B 126 70.353 17.314 -15.687 1.00 0.37 C +ATOM 3751 CG TRP B 126 70.219 16.619 -16.996 1.00 0.37 C +ATOM 3752 CD1 TRP B 126 69.069 16.415 -17.714 1.00 0.37 C +ATOM 3753 CD2 TRP B 126 71.226 15.826 -17.629 1.00 0.37 C +ATOM 3754 NE1 TRP B 126 69.301 15.527 -18.740 1.00 0.37 N +ATOM 3755 CE2 TRP B 126 70.617 15.150 -18.707 1.00 0.37 C +ATOM 3756 CE3 TRP B 126 72.586 15.615 -17.379 1.00 0.37 C +ATOM 3757 CZ2 TRP B 126 71.322 14.278 -19.531 1.00 0.37 C +ATOM 3758 CZ3 TRP B 126 73.284 14.751 -18.199 1.00 0.37 C +ATOM 3759 CH2 TRP B 126 72.650 14.092 -19.262 1.00 0.37 C +ATOM 3760 N SER B 127 70.288 17.533 -12.534 1.00 0.00 N +ATOM 3761 CA SER B 127 70.702 18.147 -11.276 1.00 0.00 C +ATOM 3762 C SER B 127 71.329 17.104 -10.351 1.00 0.00 C +ATOM 3763 O SER B 127 72.073 17.467 -9.447 1.00 0.00 O +ATOM 3764 CB SER B 127 69.505 18.803 -10.581 1.00 0.00 C +ATOM 3765 OG SER B 127 68.999 19.881 -11.349 1.00 0.00 O +ATOM 3766 N LEU B 128 71.040 15.822 -10.572 1.00 0.00 N +ATOM 3767 CA LEU B 128 71.595 14.761 -9.730 1.00 0.00 C +ATOM 3768 C LEU B 128 73.024 14.487 -10.132 1.00 0.00 C +ATOM 3769 O LEU B 128 73.793 13.945 -9.344 1.00 0.00 O +ATOM 3770 CB LEU B 128 70.743 13.476 -9.826 1.00 0.00 C +ATOM 3771 CG LEU B 128 69.506 13.334 -8.903 1.00 0.00 C +ATOM 3772 CD1 LEU B 128 68.726 12.057 -9.215 1.00 0.00 C +ATOM 3773 CD2 LEU B 128 69.955 13.297 -7.439 1.00 0.00 C +ATOM 3774 N VAL B 129 73.390 14.851 -11.354 1.00 6.38 N +ATOM 3775 CA VAL B 129 74.763 14.654 -11.800 1.00 6.38 C +ATOM 3776 C VAL B 129 75.576 15.850 -11.308 1.00 6.38 C +ATOM 3777 O VAL B 129 76.688 15.674 -10.781 1.00 6.38 O +ATOM 3778 CB VAL B 129 74.840 14.554 -13.335 1.00 6.38 C +ATOM 3779 CG1 VAL B 129 76.256 14.216 -13.761 1.00 6.38 C +ATOM 3780 CG2 VAL B 129 73.877 13.485 -13.826 1.00 6.38 C +ATOM 3781 N VAL B 130 75.007 17.048 -11.470 1.00 1.63 N +ATOM 3782 CA VAL B 130 75.638 18.284 -11.025 1.00 1.63 C +ATOM 3783 C VAL B 130 76.024 18.113 -9.578 1.00 1.63 C +ATOM 3784 O VAL B 130 77.044 18.630 -9.161 1.00 1.63 O +ATOM 3785 CB VAL B 130 74.668 19.490 -11.156 1.00 1.63 C +ATOM 3786 CG1 VAL B 130 75.221 20.700 -10.438 1.00 1.63 C +ATOM 3787 CG2 VAL B 130 74.453 19.822 -12.617 1.00 1.63 C +ATOM 3788 N LEU B 131 75.214 17.373 -8.825 1.00 0.00 N +ATOM 3789 CA LEU B 131 75.469 17.114 -7.412 1.00 0.00 C +ATOM 3790 C LEU B 131 76.498 16.034 -7.258 1.00 0.00 C +ATOM 3791 O LEU B 131 77.316 16.126 -6.352 1.00 0.00 O +ATOM 3792 CB LEU B 131 74.194 16.663 -6.697 1.00 0.00 C +ATOM 3793 CG LEU B 131 73.292 17.680 -5.999 1.00 0.00 C +ATOM 3794 CD1 LEU B 131 72.904 18.762 -6.954 1.00 0.00 C +ATOM 3795 CD2 LEU B 131 72.058 16.977 -5.476 1.00 0.00 C +ATOM 3796 N ALA B 132 76.440 15.003 -8.103 1.00 0.00 N +ATOM 3797 CA ALA B 132 77.400 13.898 -8.044 1.00 0.00 C +ATOM 3798 C ALA B 132 78.768 14.505 -8.164 1.00 0.00 C +ATOM 3799 O ALA B 132 79.672 14.180 -7.404 1.00 0.00 O +ATOM 3800 CB ALA B 132 77.162 12.914 -9.194 1.00 0.00 C +ATOM 3801 N ILE B 133 78.886 15.425 -9.113 1.00 0.02 N +ATOM 3802 CA ILE B 133 80.127 16.122 -9.379 1.00 0.02 C +ATOM 3803 C ILE B 133 80.533 16.989 -8.212 1.00 0.02 C +ATOM 3804 O ILE B 133 81.528 16.690 -7.562 1.00 0.02 O +ATOM 3805 CB ILE B 133 79.984 16.958 -10.665 1.00 0.02 C +ATOM 3806 CG1 ILE B 133 79.882 15.996 -11.843 1.00 0.02 C +ATOM 3807 CG2 ILE B 133 81.141 17.927 -10.824 1.00 0.02 C +ATOM 3808 CD1 ILE B 133 80.731 14.716 -11.657 1.00 0.02 C +ATOM 3809 N GLU B 134 79.778 18.046 -7.939 1.00 0.00 N +ATOM 3810 CA GLU B 134 80.105 18.931 -6.840 1.00 0.00 C +ATOM 3811 C GLU B 134 80.445 18.126 -5.617 1.00 0.00 C +ATOM 3812 O GLU B 134 81.281 18.542 -4.842 1.00 0.00 O +ATOM 3813 CB GLU B 134 78.936 19.862 -6.543 1.00 0.00 C +ATOM 3814 CG GLU B 134 79.248 20.933 -5.505 1.00 0.00 C +ATOM 3815 CD GLU B 134 78.844 20.542 -4.083 1.00 0.00 C +ATOM 3816 OE1 GLU B 134 79.077 19.374 -3.688 1.00 0.00 O +ATOM 3817 OE2 GLU B 134 78.301 21.413 -3.354 1.00 0.00 O +ATOM 3818 N ARG B 135 79.815 16.970 -5.449 1.00 0.00 N +ATOM 3819 CA ARG B 135 80.064 16.116 -4.285 1.00 0.00 C +ATOM 3820 C ARG B 135 81.461 15.521 -4.352 1.00 0.00 C +ATOM 3821 O ARG B 135 82.149 15.448 -3.343 1.00 0.00 O +ATOM 3822 CB ARG B 135 79.041 14.980 -4.238 1.00 0.00 C +ATOM 3823 CG ARG B 135 78.754 14.461 -2.850 1.00 0.00 C +ATOM 3824 CD ARG B 135 77.658 15.281 -2.221 1.00 0.00 C +ATOM 3825 NE ARG B 135 77.945 16.719 -2.207 1.00 0.00 N +ATOM 3826 CZ ARG B 135 78.592 17.357 -1.230 1.00 0.00 C +ATOM 3827 NH1 ARG B 135 79.040 16.686 -0.172 1.00 0.00 N +ATOM 3828 NH2 ARG B 135 78.761 18.674 -1.291 1.00 0.00 N +ATOM 3829 N TYR B 136 81.857 15.077 -5.541 1.00 0.00 N +ATOM 3830 CA TYR B 136 83.168 14.469 -5.781 1.00 0.00 C +ATOM 3831 C TYR B 136 84.235 15.536 -5.737 1.00 0.00 C +ATOM 3832 O TYR B 136 85.385 15.258 -5.431 1.00 0.00 O +ATOM 3833 CB TYR B 136 83.179 13.807 -7.158 1.00 0.00 C +ATOM 3834 CG TYR B 136 84.545 13.383 -7.631 1.00 0.00 C +ATOM 3835 CD1 TYR B 136 85.087 12.161 -7.242 1.00 0.00 C +ATOM 3836 CD2 TYR B 136 85.303 14.215 -8.456 1.00 0.00 C +ATOM 3837 CE1 TYR B 136 86.358 11.768 -7.666 1.00 0.00 C +ATOM 3838 CE2 TYR B 136 86.575 13.839 -8.887 1.00 0.00 C +ATOM 3839 CZ TYR B 136 87.103 12.610 -8.489 1.00 0.00 C +ATOM 3840 OH TYR B 136 88.369 12.233 -8.907 1.00 0.00 O +ATOM 3841 N VAL B 137 83.839 16.757 -6.061 1.00 1.34 N +ATOM 3842 CA VAL B 137 84.741 17.894 -6.080 1.00 1.34 C +ATOM 3843 C VAL B 137 84.997 18.413 -4.666 1.00 1.34 C +ATOM 3844 O VAL B 137 85.914 19.213 -4.477 1.00 1.34 O +ATOM 3845 CB VAL B 137 84.151 19.032 -6.955 1.00 1.34 C +ATOM 3846 CG1 VAL B 137 85.065 20.253 -6.938 1.00 1.34 C +ATOM 3847 CG2 VAL B 137 83.954 18.527 -8.375 1.00 1.34 C +ATOM 3848 N VAL B 138 84.206 17.983 -3.683 1.00 0.00 N +ATOM 3849 CA VAL B 138 84.423 18.446 -2.313 1.00 0.00 C +ATOM 3850 C VAL B 138 84.890 17.305 -1.457 1.00 0.00 C +ATOM 3851 O VAL B 138 85.557 17.518 -0.469 1.00 0.00 O +ATOM 3852 CB VAL B 138 83.145 19.046 -1.676 1.00 0.00 C +ATOM 3853 CG1 VAL B 138 82.598 20.160 -2.551 1.00 0.00 C +ATOM 3854 CG2 VAL B 138 82.118 17.958 -1.444 1.00 0.00 C +ATOM 3855 N VAL B 139 84.550 16.087 -1.834 1.00 0.00 N +ATOM 3856 CA VAL B 139 84.967 14.949 -1.043 1.00 0.00 C +ATOM 3857 C VAL B 139 86.272 14.398 -1.552 1.00 0.00 C +ATOM 3858 O VAL B 139 87.103 13.999 -0.751 1.00 0.00 O +ATOM 3859 CB VAL B 139 83.911 13.851 -1.067 1.00 0.00 C +ATOM 3860 CG1 VAL B 139 84.461 12.593 -0.420 1.00 0.00 C +ATOM 3861 CG2 VAL B 139 82.663 14.335 -0.350 1.00 0.00 C +ATOM 3862 N CYS B 140 86.454 14.365 -2.870 1.00 0.19 N +ATOM 3863 CA CYS B 140 87.697 13.853 -3.464 1.00 0.19 C +ATOM 3864 C CYS B 140 88.534 15.014 -3.998 1.00 0.19 C +ATOM 3865 O CYS B 140 89.507 14.782 -4.725 1.00 0.19 O +ATOM 3866 CB CYS B 140 87.392 12.874 -4.613 1.00 0.19 C +ATOM 3867 SG CYS B 140 86.499 11.357 -4.144 1.00 0.19 S +ATOM 3868 N LYS B 141 88.144 16.237 -3.632 1.00 0.05 N +ATOM 3869 CA LYS B 141 88.794 17.490 -4.043 1.00 0.05 C +ATOM 3870 C LYS B 141 90.020 17.278 -4.931 1.00 0.05 C +ATOM 3871 O LYS B 141 91.137 17.160 -4.409 1.00 0.05 O +ATOM 3872 CB LYS B 141 89.206 18.314 -2.810 1.00 0.05 C +ATOM 3873 CG LYS B 141 89.751 19.694 -3.170 1.00 0.05 C +ATOM 3874 CD LYS B 141 90.298 20.448 -1.978 1.00 0.05 C +ATOM 3875 CE LYS B 141 90.938 21.749 -2.442 1.00 0.05 C +ATOM 3876 NZ LYS B 141 91.606 22.489 -1.336 1.00 0.05 N +ATOM 3877 N PRO B 142 89.836 17.218 -6.271 1.00 0.00 N +ATOM 3878 CA PRO B 142 90.982 17.023 -7.177 1.00 0.00 C +ATOM 3879 C PRO B 142 91.756 18.332 -7.414 1.00 0.00 C +ATOM 3880 O PRO B 142 92.736 18.348 -8.177 1.00 0.00 O +ATOM 3881 CB PRO B 142 90.330 16.497 -8.465 1.00 0.00 C +ATOM 3882 CG PRO B 142 89.037 15.885 -7.990 1.00 0.00 C +ATOM 3883 CD PRO B 142 88.576 16.906 -6.971 1.00 0.00 C +ATOM 3884 N MET B 143 91.321 19.407 -6.755 1.00 0.22 N +ATOM 3885 CA MET B 143 91.951 20.715 -6.906 1.00 0.22 C +ATOM 3886 C MET B 143 92.843 21.078 -5.741 1.00 0.22 C +ATOM 3887 O MET B 143 93.114 20.246 -4.866 1.00 0.22 O +ATOM 3888 CB MET B 143 90.888 21.800 -7.106 1.00 0.22 C +ATOM 3889 CG MET B 143 90.997 22.459 -8.463 1.00 0.22 C +ATOM 3890 SD MET B 143 91.060 21.202 -9.763 1.00 0.22 S +ATOM 3891 CE MET B 143 92.889 20.868 -9.920 1.00 0.22 C +ATOM 3892 N SER B 144 93.296 22.333 -5.743 1.00 0.00 N +ATOM 3893 CA SER B 144 94.187 22.858 -4.712 1.00 0.00 C +ATOM 3894 C SER B 144 93.452 23.856 -3.823 1.00 0.00 C +ATOM 3895 O SER B 144 93.318 23.621 -2.621 1.00 0.00 O +ATOM 3896 CB SER B 144 95.405 23.515 -5.377 1.00 0.00 C +ATOM 3897 OG SER B 144 96.072 22.595 -6.234 1.00 0.00 O +ATOM 3898 N ASN B 145 92.992 24.963 -4.396 1.00 0.12 N +ATOM 3899 CA ASN B 145 92.256 25.967 -3.624 1.00 0.12 C +ATOM 3900 C ASN B 145 91.039 26.402 -4.417 1.00 0.12 C +ATOM 3901 O ASN B 145 90.620 27.568 -4.333 1.00 0.12 O +ATOM 3902 CB ASN B 145 93.154 27.172 -3.302 1.00 0.12 C +ATOM 3903 CG ASN B 145 93.635 27.897 -4.549 1.00 0.12 C +ATOM 3904 OD1 ASN B 145 93.981 27.267 -5.553 1.00 0.12 O +ATOM 3905 ND2 ASN B 145 93.673 29.227 -4.485 1.00 0.12 N +ATOM 3906 N PHE B 146 90.478 25.454 -5.174 1.00 0.01 N +ATOM 3907 CA PHE B 146 89.294 25.672 -6.013 1.00 0.01 C +ATOM 3908 C PHE B 146 88.010 25.617 -5.180 1.00 0.01 C +ATOM 3909 O PHE B 146 87.764 24.632 -4.468 1.00 0.01 O +ATOM 3910 CB PHE B 146 89.231 24.614 -7.125 1.00 0.01 C +ATOM 3911 CG PHE B 146 87.982 24.684 -7.956 1.00 0.01 C +ATOM 3912 CD1 PHE B 146 87.708 25.809 -8.734 1.00 0.01 C +ATOM 3913 CD2 PHE B 146 87.056 23.645 -7.925 1.00 0.01 C +ATOM 3914 CE1 PHE B 146 86.524 25.899 -9.469 1.00 0.01 C +ATOM 3915 CE2 PHE B 146 85.868 23.728 -8.657 1.00 0.01 C +ATOM 3916 CZ PHE B 146 85.601 24.854 -9.429 1.00 0.01 C +ATOM 3917 N ARG B 147 87.196 26.668 -5.280 1.00 0.25 N +ATOM 3918 CA ARG B 147 85.945 26.737 -4.542 1.00 0.25 C +ATOM 3919 C ARG B 147 84.796 26.794 -5.538 1.00 0.25 C +ATOM 3920 O ARG B 147 84.828 27.598 -6.476 1.00 0.25 O +ATOM 3921 CB ARG B 147 85.938 27.977 -3.640 1.00 0.25 C +ATOM 3922 CG ARG B 147 85.148 27.821 -2.348 1.00 0.25 C +ATOM 3923 CD ARG B 147 84.666 29.175 -1.880 1.00 0.25 C +ATOM 3924 NE ARG B 147 83.647 29.712 -2.779 1.00 0.25 N +ATOM 3925 CZ ARG B 147 83.276 30.987 -2.823 1.00 0.25 C +ATOM 3926 NH1 ARG B 147 83.844 31.874 -2.022 1.00 0.25 N +ATOM 3927 NH2 ARG B 147 82.331 31.377 -3.667 1.00 0.25 N +ATOM 3928 N PHE B 148 83.799 25.935 -5.330 1.00 0.00 N +ATOM 3929 CA PHE B 148 82.617 25.837 -6.184 1.00 0.00 C +ATOM 3930 C PHE B 148 81.685 27.002 -5.902 1.00 0.00 C +ATOM 3931 O PHE B 148 80.598 26.804 -5.371 1.00 0.00 O +ATOM 3932 CB PHE B 148 81.906 24.523 -5.882 1.00 0.00 C +ATOM 3933 CG PHE B 148 81.304 23.860 -7.083 1.00 0.00 C +ATOM 3934 CD1 PHE B 148 80.194 24.410 -7.731 1.00 0.00 C +ATOM 3935 CD2 PHE B 148 81.836 22.660 -7.556 1.00 0.00 C +ATOM 3936 CE1 PHE B 148 79.616 23.767 -8.837 1.00 0.00 C +ATOM 3937 CE2 PHE B 148 81.270 22.006 -8.660 1.00 0.00 C +ATOM 3938 CZ PHE B 148 80.155 22.563 -9.303 1.00 0.00 C +ATOM 3939 N GLY B 149 82.100 28.210 -6.263 1.00 0.22 N +ATOM 3940 CA GLY B 149 81.280 29.378 -6.001 1.00 0.22 C +ATOM 3941 C GLY B 149 79.882 29.345 -6.582 1.00 0.22 C +ATOM 3942 O GLY B 149 79.498 28.407 -7.277 1.00 0.22 O +ATOM 3943 N GLU B 150 79.118 30.390 -6.278 1.00 0.11 N +ATOM 3944 CA GLU B 150 77.757 30.527 -6.775 1.00 0.11 C +ATOM 3945 C GLU B 150 77.791 30.524 -8.289 1.00 0.11 C +ATOM 3946 O GLU B 150 76.829 30.093 -8.923 1.00 0.11 O +ATOM 3947 CB GLU B 150 77.125 31.835 -6.265 1.00 0.11 C +ATOM 3948 CG GLU B 150 76.764 31.817 -4.775 1.00 0.11 C +ATOM 3949 CD GLU B 150 76.220 33.149 -4.250 1.00 0.11 C +ATOM 3950 OE1 GLU B 150 75.201 33.653 -4.780 1.00 0.11 O +ATOM 3951 OE2 GLU B 150 76.812 33.690 -3.288 1.00 0.11 O +ATOM 3952 N ASN B 151 78.898 30.988 -8.868 1.00 0.08 N +ATOM 3953 CA ASN B 151 79.032 31.034 -10.321 1.00 0.08 C +ATOM 3954 C ASN B 151 79.012 29.625 -10.910 1.00 0.08 C +ATOM 3955 O ASN B 151 78.344 29.406 -11.910 1.00 0.08 O +ATOM 3956 CB ASN B 151 80.312 31.793 -10.734 1.00 0.08 C +ATOM 3957 CG ASN B 151 81.602 31.090 -10.301 1.00 0.08 C +ATOM 3958 OD1 ASN B 151 81.931 31.023 -9.110 1.00 0.08 O +ATOM 3959 ND2 ASN B 151 82.342 30.571 -11.280 1.00 0.08 N +ATOM 3960 N HIS B 152 79.716 28.674 -10.308 1.00 0.00 N +ATOM 3961 CA HIS B 152 79.690 27.320 -10.839 1.00 0.00 C +ATOM 3962 C HIS B 152 78.291 26.742 -10.636 1.00 0.00 C +ATOM 3963 O HIS B 152 77.910 25.791 -11.320 1.00 0.00 O +ATOM 3964 CB HIS B 152 80.705 26.434 -10.124 1.00 0.00 C +ATOM 3965 CG HIS B 152 82.118 26.916 -10.219 1.00 0.00 C +ATOM 3966 ND1 HIS B 152 82.583 28.012 -9.519 1.00 0.00 N +ATOM 3967 CD2 HIS B 152 83.176 26.440 -10.918 1.00 0.00 C +ATOM 3968 CE1 HIS B 152 83.866 28.187 -9.783 1.00 0.00 C +ATOM 3969 NE2 HIS B 152 84.251 27.247 -10.629 1.00 0.00 N +ATOM 3970 N ALA B 153 77.533 27.318 -9.702 1.00 6.84 N +ATOM 3971 CA ALA B 153 76.183 26.859 -9.398 1.00 6.84 C +ATOM 3972 C ALA B 153 75.207 27.300 -10.459 1.00 6.84 C +ATOM 3973 O ALA B 153 74.397 26.492 -10.868 1.00 6.84 O +ATOM 3974 CB ALA B 153 75.745 27.374 -8.043 1.00 6.84 C +ATOM 3975 N ILE B 154 75.252 28.555 -10.899 1.00 0.02 N +ATOM 3976 CA ILE B 154 74.319 28.997 -11.936 1.00 0.02 C +ATOM 3977 C ILE B 154 74.639 28.280 -13.232 1.00 0.02 C +ATOM 3978 O ILE B 154 73.786 28.199 -14.116 1.00 0.02 O +ATOM 3979 CB ILE B 154 74.388 30.526 -12.180 1.00 0.02 C +ATOM 3980 CG1 ILE B 154 73.772 31.277 -11.005 1.00 0.02 C +ATOM 3981 CG2 ILE B 154 73.616 30.899 -13.437 1.00 0.02 C +ATOM 3982 CD1 ILE B 154 74.514 31.122 -9.714 1.00 0.02 C +ATOM 3983 N MET B 155 75.860 27.764 -13.345 1.00 0.64 N +ATOM 3984 CA MET B 155 76.281 27.034 -14.536 1.00 0.64 C +ATOM 3985 C MET B 155 75.629 25.679 -14.515 1.00 0.64 C +ATOM 3986 O MET B 155 74.899 25.347 -15.450 1.00 0.64 O +ATOM 3987 CB MET B 155 77.804 26.871 -14.567 1.00 0.64 C +ATOM 3988 CG MET B 155 78.578 28.184 -14.708 1.00 0.64 C +ATOM 3989 SD MET B 155 78.201 29.097 -16.239 1.00 0.64 S +ATOM 3990 CE MET B 155 76.671 30.038 -15.807 1.00 0.64 C +ATOM 3991 N GLY B 156 75.892 24.908 -13.457 1.00 0.00 N +ATOM 3992 CA GLY B 156 75.303 23.583 -13.299 1.00 0.00 C +ATOM 3993 C GLY B 156 73.778 23.596 -13.273 1.00 0.00 C +ATOM 3994 O GLY B 156 73.148 22.550 -13.369 1.00 0.00 O +ATOM 3995 N VAL B 157 73.192 24.782 -13.115 1.00 0.15 N +ATOM 3996 CA VAL B 157 71.747 24.951 -13.116 1.00 0.15 C +ATOM 3997 C VAL B 157 71.305 25.036 -14.557 1.00 0.15 C +ATOM 3998 O VAL B 157 70.538 24.199 -15.029 1.00 0.15 O +ATOM 3999 CB VAL B 157 71.323 26.246 -12.368 1.00 0.15 C +ATOM 4000 CG1 VAL B 157 69.987 26.744 -12.876 1.00 0.15 C +ATOM 4001 CG2 VAL B 157 71.205 25.966 -10.886 1.00 0.15 C +ATOM 4002 N ALA B 158 71.795 26.043 -15.265 1.00 0.60 N +ATOM 4003 CA ALA B 158 71.442 26.219 -16.668 1.00 0.60 C +ATOM 4004 C ALA B 158 71.760 24.950 -17.438 1.00 0.60 C +ATOM 4005 O ALA B 158 71.041 24.601 -18.369 1.00 0.60 O +ATOM 4006 CB ALA B 158 72.209 27.388 -17.245 1.00 0.60 C +ATOM 4007 N PHE B 159 72.828 24.266 -17.042 1.00 4.06 N +ATOM 4008 CA PHE B 159 73.253 23.029 -17.689 1.00 4.06 C +ATOM 4009 C PHE B 159 72.156 21.999 -17.655 1.00 4.06 C +ATOM 4010 O PHE B 159 71.970 21.276 -18.644 1.00 4.06 O +ATOM 4011 CB PHE B 159 74.464 22.464 -16.971 1.00 4.06 C +ATOM 4012 CG PHE B 159 74.670 21.009 -17.205 1.00 4.06 C +ATOM 4013 CD1 PHE B 159 75.151 20.549 -18.421 1.00 4.06 C +ATOM 4014 CD2 PHE B 159 74.398 20.095 -16.202 1.00 4.06 C +ATOM 4015 CE1 PHE B 159 75.364 19.191 -18.633 1.00 4.06 C +ATOM 4016 CE2 PHE B 159 74.606 18.740 -16.401 1.00 4.06 C +ATOM 4017 CZ PHE B 159 75.093 18.283 -17.621 1.00 4.06 C +ATOM 4018 N THR B 160 71.461 21.915 -16.518 1.00 0.00 N +ATOM 4019 CA THR B 160 70.371 20.959 -16.326 1.00 0.00 C +ATOM 4020 C THR B 160 69.185 21.340 -17.207 1.00 0.00 C +ATOM 4021 O THR B 160 68.516 20.445 -17.741 1.00 0.00 O +ATOM 4022 CB THR B 160 69.921 20.860 -14.814 1.00 0.00 C +ATOM 4023 OG1 THR B 160 69.398 22.116 -14.362 1.00 0.00 O +ATOM 4024 CG2 THR B 160 71.080 20.449 -13.932 1.00 0.00 C +ATOM 4025 N TRP B 161 68.929 22.637 -17.375 1.00 0.00 N +ATOM 4026 CA TRP B 161 67.822 23.065 -18.218 1.00 0.00 C +ATOM 4027 C TRP B 161 68.132 22.836 -19.670 1.00 0.00 C +ATOM 4028 O TRP B 161 67.233 22.755 -20.481 1.00 0.00 O +ATOM 4029 CB TRP B 161 67.523 24.538 -18.022 1.00 0.00 C +ATOM 4030 CG TRP B 161 66.728 24.833 -16.807 1.00 0.00 C +ATOM 4031 CD1 TRP B 161 67.203 25.033 -15.541 1.00 0.00 C +ATOM 4032 CD2 TRP B 161 65.298 24.973 -16.731 1.00 0.00 C +ATOM 4033 NE1 TRP B 161 66.157 25.294 -14.682 1.00 0.00 N +ATOM 4034 CE2 TRP B 161 64.977 25.261 -15.385 1.00 0.00 C +ATOM 4035 CE3 TRP B 161 64.256 24.882 -17.670 1.00 0.00 C +ATOM 4036 CZ2 TRP B 161 63.656 25.460 -14.954 1.00 0.00 C +ATOM 4037 CZ3 TRP B 161 62.944 25.081 -17.239 1.00 0.00 C +ATOM 4038 CH2 TRP B 161 62.658 25.367 -15.891 1.00 0.00 C +ATOM 4039 N VAL B 162 69.405 22.746 -20.007 1.00 1.16 N +ATOM 4040 CA VAL B 162 69.777 22.540 -21.391 1.00 1.16 C +ATOM 4041 C VAL B 162 69.592 21.116 -21.745 1.00 1.16 C +ATOM 4042 O VAL B 162 69.190 20.808 -22.848 1.00 1.16 O +ATOM 4043 CB VAL B 162 71.228 22.891 -21.632 1.00 1.16 C +ATOM 4044 CG1 VAL B 162 71.592 22.581 -23.073 1.00 1.16 C +ATOM 4045 CG2 VAL B 162 71.455 24.352 -21.315 1.00 1.16 C +ATOM 4046 N MET B 163 69.915 20.242 -20.809 1.00 0.02 N +ATOM 4047 CA MET B 163 69.770 18.820 -21.030 1.00 0.02 C +ATOM 4048 C MET B 163 68.302 18.475 -21.000 1.00 0.02 C +ATOM 4049 O MET B 163 67.789 17.866 -21.946 1.00 0.02 O +ATOM 4050 CB MET B 163 70.514 18.068 -19.940 1.00 0.02 C +ATOM 4051 CG MET B 163 71.942 18.512 -19.812 1.00 0.02 C +ATOM 4052 SD MET B 163 72.697 18.501 -21.439 1.00 0.02 S +ATOM 4053 CE MET B 163 73.150 16.725 -21.561 1.00 0.02 C +ATOM 4054 N ALA B 164 67.628 18.872 -19.923 1.00 2.03 N +ATOM 4055 CA ALA B 164 66.207 18.614 -19.767 1.00 2.03 C +ATOM 4056 C ALA B 164 65.489 19.000 -21.032 1.00 2.03 C +ATOM 4057 O ALA B 164 64.724 18.207 -21.555 1.00 2.03 O +ATOM 4058 CB ALA B 164 65.668 19.395 -18.599 1.00 2.03 C +ATOM 4059 N LEU B 165 65.736 20.202 -21.538 1.00 0.72 N +ATOM 4060 CA LEU B 165 65.079 20.641 -22.764 1.00 0.72 C +ATOM 4061 C LEU B 165 65.476 19.768 -23.938 1.00 0.72 C +ATOM 4062 O LEU B 165 64.627 19.422 -24.772 1.00 0.72 O +ATOM 4063 CB LEU B 165 65.424 22.095 -23.083 1.00 0.72 C +ATOM 4064 CG LEU B 165 64.533 23.194 -22.498 1.00 0.72 C +ATOM 4065 CD1 LEU B 165 63.089 22.996 -22.930 1.00 0.72 C +ATOM 4066 CD2 LEU B 165 64.629 23.164 -21.005 1.00 0.72 C +ATOM 4067 N ALA B 166 66.756 19.419 -24.009 1.00 0.02 N +ATOM 4068 CA ALA B 166 67.267 18.590 -25.091 1.00 0.02 C +ATOM 4069 C ALA B 166 66.391 17.376 -25.243 1.00 0.02 C +ATOM 4070 O ALA B 166 66.284 16.832 -26.339 1.00 0.02 O +ATOM 4071 CB ALA B 166 68.692 18.170 -24.796 1.00 0.02 C +ATOM 4072 N CYS B 167 65.766 16.947 -24.152 1.00 7.66 N +ATOM 4073 CA CYS B 167 64.891 15.784 -24.193 1.00 7.66 C +ATOM 4074 C CYS B 167 63.429 16.213 -24.247 1.00 7.66 C +ATOM 4075 O CYS B 167 62.704 15.869 -25.162 1.00 7.66 O +ATOM 4076 CB CYS B 167 65.123 14.914 -22.961 1.00 7.66 C +ATOM 4077 SG CYS B 167 65.001 13.151 -23.339 1.00 7.66 S +ATOM 4078 N ALA B 168 63.003 16.997 -23.280 1.00 0.67 N +ATOM 4079 CA ALA B 168 61.620 17.400 -23.229 1.00 0.67 C +ATOM 4080 C ALA B 168 61.176 18.125 -24.453 1.00 0.67 C +ATOM 4081 O ALA B 168 60.011 18.038 -24.793 1.00 0.67 O +ATOM 4082 CB ALA B 168 61.383 18.271 -22.001 1.00 0.67 C +ATOM 4083 N ALA B 169 62.081 18.795 -25.149 1.00 0.14 N +ATOM 4084 CA ALA B 169 61.660 19.637 -26.267 1.00 0.14 C +ATOM 4085 C ALA B 169 61.474 18.980 -27.645 1.00 0.14 C +ATOM 4086 O ALA B 169 60.486 19.285 -28.338 1.00 0.14 O +ATOM 4087 CB ALA B 169 62.599 20.821 -26.366 1.00 0.14 C +ATOM 4088 N PRO B 170 62.391 18.102 -28.074 1.00 1.24 N +ATOM 4089 CA PRO B 170 62.268 17.451 -29.388 1.00 1.24 C +ATOM 4090 C PRO B 170 60.878 16.957 -29.790 1.00 1.24 C +ATOM 4091 O PRO B 170 60.393 17.297 -30.864 1.00 1.24 O +ATOM 4092 CB PRO B 170 63.283 16.316 -29.302 1.00 1.24 C +ATOM 4093 CG PRO B 170 64.355 16.903 -28.444 1.00 1.24 C +ATOM 4094 CD PRO B 170 63.572 17.604 -27.347 1.00 1.24 C +ATOM 4095 N PRO B 171 60.229 16.142 -28.942 1.00 0.00 N +ATOM 4096 CA PRO B 171 58.895 15.605 -29.225 1.00 0.00 C +ATOM 4097 C PRO B 171 57.894 16.647 -29.613 1.00 0.00 C +ATOM 4098 O PRO B 171 56.836 16.323 -30.140 1.00 0.00 O +ATOM 4099 CB PRO B 171 58.520 14.915 -27.918 1.00 0.00 C +ATOM 4100 CG PRO B 171 59.832 14.405 -27.431 1.00 0.00 C +ATOM 4101 CD PRO B 171 60.735 15.605 -27.662 1.00 0.00 C +ATOM 4102 N LEU B 172 58.218 17.903 -29.361 1.00 0.14 N +ATOM 4103 CA LEU B 172 57.288 18.975 -29.685 1.00 0.14 C +ATOM 4104 C LEU B 172 57.602 19.574 -31.040 1.00 0.14 C +ATOM 4105 O LEU B 172 56.775 20.313 -31.593 1.00 0.14 O +ATOM 4106 CB LEU B 172 57.368 20.080 -28.622 1.00 0.14 C +ATOM 4107 CG LEU B 172 56.989 19.764 -27.172 1.00 0.14 C +ATOM 4108 CD1 LEU B 172 57.693 20.731 -26.258 1.00 0.14 C +ATOM 4109 CD2 LEU B 172 55.482 19.827 -26.989 1.00 0.14 C +ATOM 4110 N VAL B 173 58.774 19.256 -31.587 1.00 0.23 N +ATOM 4111 CA VAL B 173 59.189 19.846 -32.858 1.00 0.23 C +ATOM 4112 C VAL B 173 59.458 18.805 -33.925 1.00 0.23 C +ATOM 4113 O VAL B 173 60.314 18.999 -34.788 1.00 0.23 O +ATOM 4114 CB VAL B 173 60.444 20.688 -32.653 1.00 0.23 C +ATOM 4115 CG1 VAL B 173 60.207 21.696 -31.552 1.00 0.23 C +ATOM 4116 CG2 VAL B 173 61.599 19.793 -32.295 1.00 0.23 C +ATOM 4117 N GLY B 174 58.757 17.687 -33.875 1.00 0.00 N +ATOM 4118 CA GLY B 174 58.973 16.722 -34.918 1.00 0.00 C +ATOM 4119 C GLY B 174 59.863 15.551 -34.622 1.00 0.00 C +ATOM 4120 O GLY B 174 59.955 14.662 -35.444 1.00 0.00 O +ATOM 4121 N TRP B 175 60.562 15.531 -33.502 1.00 0.00 N +ATOM 4122 CA TRP B 175 61.346 14.332 -33.246 1.00 0.00 C +ATOM 4123 C TRP B 175 60.661 13.589 -32.129 1.00 0.00 C +ATOM 4124 O TRP B 175 60.674 14.042 -30.975 1.00 0.00 O +ATOM 4125 CB TRP B 175 62.782 14.644 -32.882 1.00 0.00 C +ATOM 4126 CG TRP B 175 63.608 13.396 -32.860 1.00 0.00 C +ATOM 4127 CD1 TRP B 175 63.265 12.169 -33.377 1.00 0.00 C +ATOM 4128 CD2 TRP B 175 64.919 13.246 -32.305 1.00 0.00 C +ATOM 4129 NE1 TRP B 175 64.288 11.265 -33.172 1.00 0.00 N +ATOM 4130 CE2 TRP B 175 65.314 11.899 -32.518 1.00 0.00 C +ATOM 4131 CE3 TRP B 175 65.802 14.116 -31.647 1.00 0.00 C +ATOM 4132 CZ2 TRP B 175 66.554 11.405 -32.094 1.00 0.00 C +ATOM 4133 CZ3 TRP B 175 67.032 13.624 -31.228 1.00 0.00 C +ATOM 4134 CH2 TRP B 175 67.398 12.277 -31.454 1.00 0.00 C +ATOM 4135 N SER B 176 60.069 12.449 -32.485 1.00 0.00 N +ATOM 4136 CA SER B 176 59.282 11.645 -31.567 1.00 0.00 C +ATOM 4137 C SER B 176 58.023 12.447 -31.282 1.00 0.00 C +ATOM 4138 O SER B 176 57.782 13.472 -31.947 1.00 0.00 O +ATOM 4139 CB SER B 176 60.041 11.371 -30.276 1.00 0.00 C +ATOM 4140 OG SER B 176 59.263 10.551 -29.427 1.00 0.00 O +ATOM 4141 N ARG B 177 57.226 12.016 -30.313 1.00 0.00 N +ATOM 4142 CA ARG B 177 55.994 12.736 -29.999 1.00 0.00 C +ATOM 4143 C ARG B 177 55.429 12.262 -28.666 1.00 0.00 C +ATOM 4144 O ARG B 177 55.776 11.160 -28.217 1.00 0.00 O +ATOM 4145 CB ARG B 177 54.965 12.505 -31.119 1.00 0.00 C +ATOM 4146 CG ARG B 177 54.625 11.036 -31.357 1.00 0.00 C +ATOM 4147 CD ARG B 177 53.617 10.852 -32.479 1.00 0.00 C +ATOM 4148 NE ARG B 177 53.148 9.471 -32.582 1.00 0.00 N +ATOM 4149 CZ ARG B 177 52.185 9.074 -33.409 1.00 0.00 C +ATOM 4150 NH1 ARG B 177 51.589 9.953 -34.211 1.00 0.00 N +ATOM 4151 NH2 ARG B 177 51.803 7.804 -33.424 1.00 0.00 N +ATOM 4152 N TYR B 178 54.592 13.085 -28.029 1.00 0.89 N +ATOM 4153 CA TYR B 178 53.963 12.709 -26.756 1.00 0.89 C +ATOM 4154 C TYR B 178 52.640 12.005 -27.093 1.00 0.89 C +ATOM 4155 O TYR B 178 51.908 12.458 -27.988 1.00 0.89 O +ATOM 4156 CB TYR B 178 53.731 13.950 -25.868 1.00 0.89 C +ATOM 4157 CG TYR B 178 55.008 14.542 -25.279 1.00 0.89 C +ATOM 4158 CD1 TYR B 178 55.777 13.822 -24.364 1.00 0.89 C +ATOM 4159 CD2 TYR B 178 55.481 15.800 -25.681 1.00 0.89 C +ATOM 4160 CE1 TYR B 178 56.987 14.336 -23.867 1.00 0.89 C +ATOM 4161 CE2 TYR B 178 56.699 16.316 -25.185 1.00 0.89 C +ATOM 4162 CZ TYR B 178 57.438 15.576 -24.282 1.00 0.89 C +ATOM 4163 OH TYR B 178 58.628 16.058 -23.790 1.00 0.89 O +ATOM 4164 N ILE B 179 52.338 10.903 -26.408 1.00 0.05 N +ATOM 4165 CA ILE B 179 51.114 10.140 -26.704 1.00 0.05 C +ATOM 4166 C ILE B 179 50.484 9.664 -25.399 1.00 0.05 C +ATOM 4167 O ILE B 179 51.201 9.400 -24.445 1.00 0.05 O +ATOM 4168 CB ILE B 179 51.464 8.925 -27.607 1.00 0.05 C +ATOM 4169 CG1 ILE B 179 50.223 8.402 -28.328 1.00 0.05 C +ATOM 4170 CG2 ILE B 179 52.108 7.823 -26.769 1.00 0.05 C +ATOM 4171 CD1 ILE B 179 50.565 7.362 -29.405 1.00 0.05 C +ATOM 4172 N PRO B 180 49.148 9.574 -25.332 1.00 0.00 N +ATOM 4173 CA PRO B 180 48.602 9.115 -24.048 1.00 0.00 C +ATOM 4174 C PRO B 180 48.990 7.710 -23.661 1.00 0.00 C +ATOM 4175 O PRO B 180 49.196 6.891 -24.560 1.00 0.00 O +ATOM 4176 CB PRO B 180 47.085 9.309 -24.210 1.00 0.00 C +ATOM 4177 CG PRO B 180 46.882 9.666 -25.678 1.00 0.00 C +ATOM 4178 CD PRO B 180 48.140 10.303 -26.118 1.00 0.00 C +ATOM 4179 N GLU B 181 49.111 7.440 -22.348 1.00 2.88 N +ATOM 4180 CA GLU B 181 49.481 6.111 -21.850 1.00 2.88 C +ATOM 4181 C GLU B 181 48.480 5.573 -20.839 1.00 2.88 C +ATOM 4182 O GLU B 181 47.718 6.337 -20.239 1.00 2.88 O +ATOM 4183 CB GLU B 181 50.849 6.151 -21.170 1.00 2.88 C +ATOM 4184 CG GLU B 181 51.968 6.837 -21.941 1.00 2.88 C +ATOM 4185 CD GLU B 181 53.348 6.533 -21.352 1.00 2.88 C +ATOM 4186 OE1 GLU B 181 53.803 5.376 -21.490 1.00 2.88 O +ATOM 4187 OE2 GLU B 181 53.973 7.441 -20.749 1.00 2.88 O +ATOM 4188 N GLY B 182 48.511 4.255 -20.651 1.00 0.00 N +ATOM 4189 CA GLY B 182 47.647 3.598 -19.689 1.00 0.00 C +ATOM 4190 C GLY B 182 46.174 3.829 -19.871 1.00 0.00 C +ATOM 4191 O GLY B 182 45.605 3.384 -20.852 1.00 0.00 O +ATOM 4192 N MET B 183 45.545 4.499 -18.913 1.00 0.09 N +ATOM 4193 CA MET B 183 44.121 4.790 -19.014 1.00 0.09 C +ATOM 4194 C MET B 183 43.926 6.007 -19.887 1.00 0.09 C +ATOM 4195 O MET B 183 42.836 6.561 -19.954 1.00 0.09 O +ATOM 4196 CB MET B 183 43.522 5.014 -17.632 1.00 0.09 C +ATOM 4197 CG MET B 183 43.300 3.725 -16.867 1.00 0.09 C +ATOM 4198 SD MET B 183 42.885 3.984 -15.132 1.00 0.09 S +ATOM 4199 CE MET B 183 44.223 3.182 -14.389 1.00 0.09 C +ATOM 4200 N GLN B 184 45.014 6.405 -20.543 1.00 2.41 N +ATOM 4201 CA GLN B 184 45.054 7.522 -21.484 1.00 2.41 C +ATOM 4202 C GLN B 184 44.820 8.846 -20.795 1.00 2.41 C +ATOM 4203 O GLN B 184 44.293 9.778 -21.414 1.00 2.41 O +ATOM 4204 CB GLN B 184 44.018 7.292 -22.588 1.00 2.41 C +ATOM 4205 CG GLN B 184 44.034 5.881 -23.157 1.00 2.41 C +ATOM 4206 CD GLN B 184 45.242 5.604 -24.014 1.00 2.41 C +ATOM 4207 OE1 GLN B 184 45.420 6.221 -25.036 1.00 2.41 O +ATOM 4208 NE2 GLN B 184 46.075 4.666 -23.593 1.00 2.41 N +ATOM 4209 N CYS B 185 45.219 8.946 -19.531 1.00 0.02 N +ATOM 4210 CA CYS B 185 45.032 10.188 -18.788 1.00 0.02 C +ATOM 4211 C CYS B 185 46.327 10.908 -18.578 1.00 0.02 C +ATOM 4212 O CYS B 185 46.322 12.005 -18.055 1.00 0.02 O +ATOM 4213 CB CYS B 185 44.349 9.923 -17.449 1.00 0.02 C +ATOM 4214 SG CYS B 185 42.553 9.633 -17.651 1.00 0.02 S +ATOM 4215 N SER B 186 47.429 10.285 -18.968 1.00 0.17 N +ATOM 4216 CA SER B 186 48.746 10.892 -18.878 1.00 0.17 C +ATOM 4217 C SER B 186 49.349 10.758 -20.253 1.00 0.17 C +ATOM 4218 O SER B 186 48.860 9.942 -21.025 1.00 0.17 O +ATOM 4219 CB SER B 186 49.619 10.175 -17.832 1.00 0.17 C +ATOM 4220 OG SER B 186 49.756 8.782 -18.093 1.00 0.17 O +ATOM 4221 N CYS B 187 50.375 11.545 -20.572 1.00 0.00 N +ATOM 4222 CA CYS B 187 51.040 11.474 -21.880 1.00 0.00 C +ATOM 4223 C CYS B 187 52.535 11.255 -21.716 1.00 0.00 C +ATOM 4224 O CYS B 187 53.141 11.811 -20.802 1.00 0.00 O +ATOM 4225 CB CYS B 187 50.760 12.756 -22.690 1.00 0.00 C +ATOM 4226 SG CYS B 187 49.233 12.555 -23.664 1.00 0.00 S +ATOM 4227 N GLY B 188 53.125 10.441 -22.587 1.00 0.87 N +ATOM 4228 CA GLY B 188 54.560 10.177 -22.512 1.00 0.87 C +ATOM 4229 C GLY B 188 55.218 10.060 -23.882 1.00 0.87 C +ATOM 4230 O GLY B 188 54.560 10.278 -24.904 1.00 0.87 O +ATOM 4231 N ILE B 189 56.526 9.795 -23.906 1.00 0.56 N +ATOM 4232 CA ILE B 189 57.250 9.637 -25.166 1.00 0.56 C +ATOM 4233 C ILE B 189 56.667 8.437 -25.890 1.00 0.56 C +ATOM 4234 O ILE B 189 56.233 7.494 -25.215 1.00 0.56 O +ATOM 4235 CB ILE B 189 58.740 9.432 -24.893 1.00 0.56 C +ATOM 4236 CG1 ILE B 189 59.359 10.765 -24.493 1.00 0.56 C +ATOM 4237 CG2 ILE B 189 59.424 8.841 -26.092 1.00 0.56 C +ATOM 4238 CD1 ILE B 189 59.071 11.894 -25.481 1.00 0.56 C +ATOM 4239 N ASP B 190 56.641 8.455 -27.228 1.00 0.00 N +ATOM 4240 CA ASP B 190 56.043 7.355 -28.019 1.00 0.00 C +ATOM 4241 C ASP B 190 56.890 6.060 -28.028 1.00 0.00 C +ATOM 4242 O ASP B 190 57.765 5.932 -28.888 1.00 0.00 O +ATOM 4243 CB ASP B 190 55.814 7.816 -29.467 1.00 0.00 C +ATOM 4244 CG ASP B 190 54.762 6.988 -30.181 1.00 0.00 C +ATOM 4245 OD1 ASP B 190 54.467 5.876 -29.703 1.00 0.00 O +ATOM 4246 OD2 ASP B 190 54.234 7.443 -31.222 1.00 0.00 O +ATOM 4247 N TYR B 191 56.625 5.119 -27.111 1.00 0.00 N +ATOM 4248 CA TYR B 191 57.359 3.847 -27.049 1.00 0.00 C +ATOM 4249 C TYR B 191 56.576 2.822 -27.828 1.00 0.00 C +ATOM 4250 O TYR B 191 57.096 1.788 -28.248 1.00 0.00 O +ATOM 4251 CB TYR B 191 57.448 3.323 -25.612 1.00 0.00 C +ATOM 4252 CG TYR B 191 57.689 4.372 -24.562 1.00 0.00 C +ATOM 4253 CD1 TYR B 191 58.863 5.132 -24.557 1.00 0.00 C +ATOM 4254 CD2 TYR B 191 56.732 4.637 -23.584 1.00 0.00 C +ATOM 4255 CE1 TYR B 191 59.072 6.140 -23.597 1.00 0.00 C +ATOM 4256 CE2 TYR B 191 56.935 5.645 -22.624 1.00 0.00 C +ATOM 4257 CZ TYR B 191 58.103 6.391 -22.642 1.00 0.00 C +ATOM 4258 OH TYR B 191 58.284 7.407 -21.743 1.00 0.00 O +ATOM 4259 N TYR B 192 55.312 3.142 -28.026 1.00 0.00 N +ATOM 4260 CA TYR B 192 54.363 2.250 -28.662 1.00 0.00 C +ATOM 4261 C TYR B 192 54.575 1.977 -30.144 1.00 0.00 C +ATOM 4262 O TYR B 192 54.751 0.812 -30.506 1.00 0.00 O +ATOM 4263 CB TYR B 192 52.953 2.785 -28.374 1.00 0.00 C +ATOM 4264 CG TYR B 192 52.781 3.013 -26.888 1.00 0.00 C +ATOM 4265 CD1 TYR B 192 53.216 4.199 -26.290 1.00 0.00 C +ATOM 4266 CD2 TYR B 192 52.278 1.998 -26.056 1.00 0.00 C +ATOM 4267 CE1 TYR B 192 53.158 4.368 -24.900 1.00 0.00 C +ATOM 4268 CE2 TYR B 192 52.220 2.160 -24.670 1.00 0.00 C +ATOM 4269 CZ TYR B 192 52.661 3.346 -24.106 1.00 0.00 C +ATOM 4270 OH TYR B 192 52.614 3.510 -22.749 1.00 0.00 O +ATOM 4271 N THR B 193 54.573 3.008 -30.982 1.00 0.11 N +ATOM 4272 CA THR B 193 54.682 2.821 -32.424 1.00 0.11 C +ATOM 4273 C THR B 193 56.014 3.264 -33.014 1.00 0.11 C +ATOM 4274 O THR B 193 56.761 4.037 -32.404 1.00 0.11 O +ATOM 4275 CB THR B 193 53.592 3.620 -33.138 1.00 0.11 C +ATOM 4276 OG1 THR B 193 53.880 5.016 -33.009 1.00 0.11 O +ATOM 4277 CG2 THR B 193 52.245 3.364 -32.509 1.00 0.11 C +ATOM 4278 N PRO B 194 56.336 2.754 -34.217 1.00 0.20 N +ATOM 4279 CA PRO B 194 57.583 3.127 -34.889 1.00 0.20 C +ATOM 4280 C PRO B 194 57.375 4.473 -35.617 1.00 0.20 C +ATOM 4281 O PRO B 194 58.339 5.190 -35.820 1.00 0.20 O +ATOM 4282 CB PRO B 194 57.806 1.973 -35.872 1.00 0.20 C +ATOM 4283 CG PRO B 194 57.042 0.822 -35.263 1.00 0.20 C +ATOM 4284 CD PRO B 194 55.795 1.508 -34.794 1.00 0.20 C +ATOM 4285 N HIS B 195 56.127 4.801 -35.974 1.00 0.16 N +ATOM 4286 CA HIS B 195 55.796 6.039 -36.693 1.00 0.16 C +ATOM 4287 C HIS B 195 57.064 6.620 -37.266 1.00 0.16 C +ATOM 4288 O HIS B 195 57.593 7.575 -36.717 1.00 0.16 O +ATOM 4289 CB HIS B 195 55.119 7.078 -35.768 1.00 0.16 C +ATOM 4290 CG HIS B 195 54.347 8.156 -36.496 1.00 0.16 C +ATOM 4291 ND1 HIS B 195 54.585 9.504 -36.309 1.00 0.16 N +ATOM 4292 CD2 HIS B 195 53.304 8.081 -37.362 1.00 0.16 C +ATOM 4293 CE1 HIS B 195 53.723 10.208 -37.023 1.00 0.16 C +ATOM 4294 NE2 HIS B 195 52.934 9.370 -37.671 1.00 0.16 N +ATOM 4295 N GLU B 196 57.572 6.011 -38.339 1.00 0.03 N +ATOM 4296 CA GLU B 196 58.789 6.491 -39.008 1.00 0.03 C +ATOM 4297 C GLU B 196 58.537 7.934 -39.408 1.00 0.03 C +ATOM 4298 O GLU B 196 59.456 8.746 -39.443 1.00 0.03 O +ATOM 4299 CB GLU B 196 59.095 5.642 -40.262 1.00 0.03 C +ATOM 4300 CG GLU B 196 59.437 4.172 -39.983 1.00 0.03 C +ATOM 4301 CD GLU B 196 59.219 3.267 -41.193 1.00 0.03 C +ATOM 4302 OE1 GLU B 196 59.577 3.679 -42.313 1.00 0.03 O +ATOM 4303 OE2 GLU B 196 58.699 2.139 -41.028 1.00 0.03 O +ATOM 4304 N GLU B 197 57.269 8.232 -39.682 1.00 0.49 N +ATOM 4305 CA GLU B 197 56.813 9.551 -40.086 1.00 0.49 C +ATOM 4306 C GLU B 197 57.378 10.582 -39.133 1.00 0.49 C +ATOM 4307 O GLU B 197 57.353 11.752 -39.450 1.00 0.49 O +ATOM 4308 CB GLU B 197 55.262 9.586 -40.064 1.00 0.49 C +ATOM 4309 CG GLU B 197 54.571 10.885 -40.574 1.00 0.49 C +ATOM 4310 CD GLU B 197 53.068 10.998 -40.157 1.00 0.49 C +ATOM 4311 OE1 GLU B 197 52.292 10.021 -40.347 1.00 0.49 O +ATOM 4312 OE2 GLU B 197 52.660 12.074 -39.642 1.00 0.49 O +ATOM 4313 N THR B 198 57.906 10.155 -37.986 1.00 2.59 N +ATOM 4314 CA THR B 198 58.413 11.103 -36.998 1.00 2.59 C +ATOM 4315 C THR B 198 59.633 10.564 -36.257 1.00 2.59 C +ATOM 4316 O THR B 198 60.024 11.125 -35.237 1.00 2.59 O +ATOM 4317 CB THR B 198 57.294 11.444 -36.001 1.00 2.59 C +ATOM 4318 OG1 THR B 198 57.607 12.668 -35.357 1.00 2.59 O +ATOM 4319 CG2 THR B 198 57.146 10.372 -34.951 1.00 2.59 C +ATOM 4320 N ASN B 199 60.216 9.486 -36.779 1.00 0.25 N +ATOM 4321 CA ASN B 199 61.407 8.848 -36.213 1.00 0.25 C +ATOM 4322 C ASN B 199 61.273 8.587 -34.774 1.00 0.25 C +ATOM 4323 O ASN B 199 62.021 9.174 -34.001 1.00 0.25 O +ATOM 4324 CB ASN B 199 62.635 9.719 -36.384 1.00 0.25 C +ATOM 4325 CG ASN B 199 63.182 9.654 -37.763 1.00 0.25 C +ATOM 4326 OD1 ASN B 199 63.118 10.631 -38.514 1.00 0.25 O +ATOM 4327 ND2 ASN B 199 63.724 8.485 -38.129 1.00 0.25 N +ATOM 4328 N ASN B 200 60.363 7.705 -34.392 1.00 0.28 N +ATOM 4329 CA ASN B 200 60.177 7.403 -32.982 1.00 0.28 C +ATOM 4330 C ASN B 200 61.340 6.577 -32.462 1.00 0.28 C +ATOM 4331 O ASN B 200 62.039 7.001 -31.533 1.00 0.28 O +ATOM 4332 CB ASN B 200 58.855 6.637 -32.749 1.00 0.28 C +ATOM 4333 CG ASN B 200 57.615 7.522 -32.890 1.00 0.28 C +ATOM 4334 OD1 ASN B 200 57.706 8.751 -32.945 1.00 0.28 O +ATOM 4335 ND2 ASN B 200 56.447 6.891 -32.934 1.00 0.28 N +ATOM 4336 N GLU B 201 61.555 5.416 -33.074 1.00 0.65 N +ATOM 4337 CA GLU B 201 62.589 4.473 -32.650 1.00 0.65 C +ATOM 4338 C GLU B 201 63.953 5.129 -32.365 1.00 0.65 C +ATOM 4339 O GLU B 201 64.659 4.708 -31.446 1.00 0.65 O +ATOM 4340 CB GLU B 201 62.691 3.361 -33.696 1.00 0.65 C +ATOM 4341 CG GLU B 201 61.335 2.690 -34.007 1.00 0.65 C +ATOM 4342 CD GLU B 201 61.083 1.386 -33.229 1.00 0.65 C +ATOM 4343 OE1 GLU B 201 62.067 0.681 -32.912 1.00 0.65 O +ATOM 4344 OE2 GLU B 201 59.900 1.051 -32.962 1.00 0.65 O +ATOM 4345 N SER B 202 64.320 6.154 -33.121 1.00 0.06 N +ATOM 4346 CA SER B 202 65.601 6.805 -32.893 1.00 0.06 C +ATOM 4347 C SER B 202 65.572 7.627 -31.622 1.00 0.06 C +ATOM 4348 O SER B 202 66.455 7.462 -30.801 1.00 0.06 O +ATOM 4349 CB SER B 202 65.990 7.697 -34.084 1.00 0.06 C +ATOM 4350 OG SER B 202 65.067 8.755 -34.308 1.00 0.06 O +ATOM 4351 N PHE B 203 64.573 8.487 -31.437 1.00 0.75 N +ATOM 4352 CA PHE B 203 64.529 9.317 -30.240 1.00 0.75 C +ATOM 4353 C PHE B 203 64.525 8.493 -28.976 1.00 0.75 C +ATOM 4354 O PHE B 203 65.101 8.903 -27.976 1.00 0.75 O +ATOM 4355 CB PHE B 203 63.296 10.205 -30.222 1.00 0.75 C +ATOM 4356 CG PHE B 203 63.273 11.150 -29.056 1.00 0.75 C +ATOM 4357 CD1 PHE B 203 63.845 12.418 -29.157 1.00 0.75 C +ATOM 4358 CD2 PHE B 203 62.756 10.751 -27.833 1.00 0.75 C +ATOM 4359 CE1 PHE B 203 63.906 13.269 -28.056 1.00 0.75 C +ATOM 4360 CE2 PHE B 203 62.818 11.593 -26.731 1.00 0.75 C +ATOM 4361 CZ PHE B 203 63.394 12.853 -26.842 1.00 0.75 C +ATOM 4362 N VAL B 204 63.871 7.343 -29.013 1.00 0.00 N +ATOM 4363 CA VAL B 204 63.770 6.486 -27.839 1.00 0.00 C +ATOM 4364 C VAL B 204 65.125 5.942 -27.408 1.00 0.00 C +ATOM 4365 O VAL B 204 65.394 5.864 -26.222 1.00 0.00 O +ATOM 4366 CB VAL B 204 62.773 5.323 -28.103 1.00 0.00 C +ATOM 4367 CG1 VAL B 204 62.866 4.289 -26.994 1.00 0.00 C +ATOM 4368 CG2 VAL B 204 61.351 5.876 -28.219 1.00 0.00 C +ATOM 4369 N ILE B 205 65.974 5.564 -28.354 1.00 0.04 N +ATOM 4370 CA ILE B 205 67.295 5.036 -28.017 1.00 0.04 C +ATOM 4371 C ILE B 205 68.164 6.180 -27.504 1.00 0.04 C +ATOM 4372 O ILE B 205 69.027 6.000 -26.636 1.00 0.04 O +ATOM 4373 CB ILE B 205 67.931 4.399 -29.263 1.00 0.04 C +ATOM 4374 CG1 ILE B 205 66.988 3.323 -29.804 1.00 0.04 C +ATOM 4375 CG2 ILE B 205 69.285 3.803 -28.921 1.00 0.04 C +ATOM 4376 CD1 ILE B 205 67.406 2.733 -31.115 1.00 0.04 C +ATOM 4377 N TYR B 206 67.894 7.361 -28.044 1.00 0.69 N +ATOM 4378 CA TYR B 206 68.591 8.606 -27.711 1.00 0.69 C +ATOM 4379 C TYR B 206 68.330 8.956 -26.283 1.00 0.69 C +ATOM 4380 O TYR B 206 69.239 9.371 -25.570 1.00 0.69 O +ATOM 4381 CB TYR B 206 68.068 9.740 -28.600 1.00 0.69 C +ATOM 4382 CG TYR B 206 68.112 11.131 -27.984 1.00 0.69 C +ATOM 4383 CD1 TYR B 206 69.312 11.836 -27.887 1.00 0.69 C +ATOM 4384 CD2 TYR B 206 66.935 11.769 -27.555 1.00 0.69 C +ATOM 4385 CE1 TYR B 206 69.344 13.145 -27.392 1.00 0.69 C +ATOM 4386 CE2 TYR B 206 66.952 13.073 -27.058 1.00 0.69 C +ATOM 4387 CZ TYR B 206 68.163 13.759 -26.984 1.00 0.69 C +ATOM 4388 OH TYR B 206 68.205 15.060 -26.530 1.00 0.69 O +ATOM 4389 N MET B 207 67.073 8.793 -25.879 1.00 0.77 N +ATOM 4390 CA MET B 207 66.634 9.117 -24.534 1.00 0.77 C +ATOM 4391 C MET B 207 67.063 8.068 -23.519 1.00 0.77 C +ATOM 4392 O MET B 207 67.325 8.434 -22.385 1.00 0.77 O +ATOM 4393 CB MET B 207 65.113 9.286 -24.513 1.00 0.77 C +ATOM 4394 CG MET B 207 64.540 9.597 -23.145 1.00 0.77 C +ATOM 4395 SD MET B 207 62.752 9.390 -23.092 1.00 0.77 S +ATOM 4396 CE MET B 207 62.594 7.582 -22.928 1.00 0.77 C +ATOM 4397 N PHE B 208 67.145 6.792 -23.889 1.00 8.70 N +ATOM 4398 CA PHE B 208 67.554 5.789 -22.912 1.00 8.70 C +ATOM 4399 C PHE B 208 69.054 5.717 -22.773 1.00 8.70 C +ATOM 4400 O PHE B 208 69.533 5.113 -21.825 1.00 8.70 O +ATOM 4401 CB PHE B 208 67.002 4.421 -23.272 1.00 8.70 C +ATOM 4402 CG PHE B 208 65.670 4.137 -22.649 1.00 8.70 C +ATOM 4403 CD1 PHE B 208 65.551 3.973 -21.272 1.00 8.70 C +ATOM 4404 CD2 PHE B 208 64.529 4.029 -23.430 1.00 8.70 C +ATOM 4405 CE1 PHE B 208 64.315 3.704 -20.682 1.00 8.70 C +ATOM 4406 CE2 PHE B 208 63.295 3.762 -22.853 1.00 8.70 C +ATOM 4407 CZ PHE B 208 63.189 3.598 -21.474 1.00 8.70 C +ATOM 4408 N VAL B 209 69.795 6.330 -23.694 1.00 0.08 N +ATOM 4409 CA VAL B 209 71.257 6.321 -23.612 1.00 0.08 C +ATOM 4410 C VAL B 209 71.780 7.658 -23.063 1.00 0.08 C +ATOM 4411 O VAL B 209 72.434 7.673 -22.020 1.00 0.08 O +ATOM 4412 CB VAL B 209 71.893 6.034 -24.989 1.00 0.08 C +ATOM 4413 CG1 VAL B 209 73.389 6.049 -24.858 1.00 0.08 C +ATOM 4414 CG2 VAL B 209 71.433 4.682 -25.516 1.00 0.08 C +ATOM 4415 N VAL B 210 71.478 8.761 -23.744 1.00 0.05 N +ATOM 4416 CA VAL B 210 71.917 10.090 -23.314 1.00 0.05 C +ATOM 4417 C VAL B 210 71.272 10.525 -22.007 1.00 0.05 C +ATOM 4418 O VAL B 210 71.983 10.862 -21.064 1.00 0.05 O +ATOM 4419 CB VAL B 210 71.568 11.179 -24.358 1.00 0.05 C +ATOM 4420 CG1 VAL B 210 71.879 12.556 -23.803 1.00 0.05 C +ATOM 4421 CG2 VAL B 210 72.341 10.947 -25.631 1.00 0.05 C +ATOM 4422 N HIS B 211 69.940 10.509 -21.953 1.00 4.08 N +ATOM 4423 CA HIS B 211 69.188 10.977 -20.788 1.00 4.08 C +ATOM 4424 C HIS B 211 68.738 9.906 -19.806 1.00 4.08 C +ATOM 4425 O HIS B 211 67.683 10.056 -19.197 1.00 4.08 O +ATOM 4426 CB HIS B 211 67.982 11.770 -21.269 1.00 4.08 C +ATOM 4427 CG HIS B 211 68.338 12.915 -22.168 1.00 4.08 C +ATOM 4428 ND1 HIS B 211 69.043 14.015 -21.732 1.00 4.08 N +ATOM 4429 CD2 HIS B 211 68.068 13.138 -23.476 1.00 4.08 C +ATOM 4430 CE1 HIS B 211 69.187 14.870 -22.729 1.00 4.08 C +ATOM 4431 NE2 HIS B 211 68.603 14.363 -23.799 1.00 4.08 N +ATOM 4432 N PHE B 212 69.517 8.850 -19.629 1.00 0.00 N +ATOM 4433 CA PHE B 212 69.162 7.829 -18.658 1.00 0.00 C +ATOM 4434 C PHE B 212 70.365 7.000 -18.328 1.00 0.00 C +ATOM 4435 O PHE B 212 70.907 7.123 -17.236 1.00 0.00 O +ATOM 4436 CB PHE B 212 68.028 6.926 -19.159 1.00 0.00 C +ATOM 4437 CG PHE B 212 67.665 5.806 -18.199 1.00 0.00 C +ATOM 4438 CD1 PHE B 212 67.315 6.079 -16.880 1.00 0.00 C +ATOM 4439 CD2 PHE B 212 67.680 4.476 -18.617 1.00 0.00 C +ATOM 4440 CE1 PHE B 212 66.982 5.051 -15.983 1.00 0.00 C +ATOM 4441 CE2 PHE B 212 67.352 3.431 -17.734 1.00 0.00 C +ATOM 4442 CZ PHE B 212 67.002 3.722 -16.413 1.00 0.00 C +ATOM 4443 N ILE B 213 70.795 6.146 -19.239 1.00 0.88 N +ATOM 4444 CA ILE B 213 71.925 5.297 -18.924 1.00 0.88 C +ATOM 4445 C ILE B 213 73.180 6.089 -18.587 1.00 0.88 C +ATOM 4446 O ILE B 213 73.845 5.749 -17.623 1.00 0.88 O +ATOM 4447 CB ILE B 213 72.209 4.318 -20.065 1.00 0.88 C +ATOM 4448 CG1 ILE B 213 70.969 3.458 -20.342 1.00 0.88 C +ATOM 4449 CG2 ILE B 213 73.322 3.391 -19.649 1.00 0.88 C +ATOM 4450 CD1 ILE B 213 71.043 2.631 -21.620 1.00 0.88 C +ATOM 4451 N ILE B 214 73.499 7.141 -19.331 1.00 0.46 N +ATOM 4452 CA ILE B 214 74.720 7.894 -19.046 1.00 0.46 C +ATOM 4453 C ILE B 214 74.693 8.541 -17.667 1.00 0.46 C +ATOM 4454 O ILE B 214 75.492 8.168 -16.801 1.00 0.46 O +ATOM 4455 CB ILE B 214 74.996 9.014 -20.104 1.00 0.46 C +ATOM 4456 CG1 ILE B 214 75.195 8.412 -21.497 1.00 0.46 C +ATOM 4457 CG2 ILE B 214 76.249 9.796 -19.717 1.00 0.46 C +ATOM 4458 CD1 ILE B 214 75.533 9.432 -22.584 1.00 0.46 C +ATOM 4459 N PRO B 215 73.784 9.511 -17.440 1.00 0.00 N +ATOM 4460 CA PRO B 215 73.733 10.171 -16.135 1.00 0.00 C +ATOM 4461 C PRO B 215 73.789 9.226 -14.972 1.00 0.00 C +ATOM 4462 O PRO B 215 74.440 9.525 -13.979 1.00 0.00 O +ATOM 4463 CB PRO B 215 72.429 10.964 -16.199 1.00 0.00 C +ATOM 4464 CG PRO B 215 72.331 11.328 -17.656 1.00 0.00 C +ATOM 4465 CD PRO B 215 72.699 10.002 -18.313 1.00 0.00 C +ATOM 4466 N LEU B 216 73.123 8.089 -15.082 1.00 0.01 N +ATOM 4467 CA LEU B 216 73.145 7.139 -13.989 1.00 0.01 C +ATOM 4468 C LEU B 216 74.542 6.614 -13.796 1.00 0.01 C +ATOM 4469 O LEU B 216 74.953 6.383 -12.659 1.00 0.01 O +ATOM 4470 CB LEU B 216 72.173 5.987 -14.248 1.00 0.01 C +ATOM 4471 CG LEU B 216 70.810 6.272 -13.629 1.00 0.01 C +ATOM 4472 CD1 LEU B 216 70.977 6.424 -12.132 1.00 0.01 C +ATOM 4473 CD2 LEU B 216 70.232 7.543 -14.209 1.00 0.01 C +ATOM 4474 N ILE B 217 75.273 6.431 -14.892 1.00 0.46 N +ATOM 4475 CA ILE B 217 76.648 5.928 -14.825 1.00 0.46 C +ATOM 4476 C ILE B 217 77.505 6.915 -14.032 1.00 0.46 C +ATOM 4477 O ILE B 217 78.138 6.527 -13.039 1.00 0.46 O +ATOM 4478 CB ILE B 217 77.250 5.737 -16.258 1.00 0.46 C +ATOM 4479 CG1 ILE B 217 76.554 4.584 -16.983 1.00 0.46 C +ATOM 4480 CG2 ILE B 217 78.727 5.421 -16.169 1.00 0.46 C +ATOM 4481 CD1 ILE B 217 77.043 4.392 -18.390 1.00 0.46 C +ATOM 4482 N VAL B 218 77.512 8.174 -14.468 1.00 0.01 N +ATOM 4483 CA VAL B 218 78.264 9.230 -13.804 1.00 0.01 C +ATOM 4484 C VAL B 218 78.000 9.198 -12.331 1.00 0.01 C +ATOM 4485 O VAL B 218 78.889 8.955 -11.534 1.00 0.01 O +ATOM 4486 CB VAL B 218 77.820 10.604 -14.280 1.00 0.01 C +ATOM 4487 CG1 VAL B 218 78.381 11.673 -13.346 1.00 0.01 C +ATOM 4488 CG2 VAL B 218 78.254 10.820 -15.721 1.00 0.01 C +ATOM 4489 N ILE B 219 76.755 9.475 -11.984 1.00 0.23 N +ATOM 4490 CA ILE B 219 76.310 9.505 -10.608 1.00 0.23 C +ATOM 4491 C ILE B 219 76.764 8.263 -9.872 1.00 0.23 C +ATOM 4492 O ILE B 219 77.335 8.366 -8.793 1.00 0.23 O +ATOM 4493 CB ILE B 219 74.781 9.646 -10.583 1.00 0.23 C +ATOM 4494 CG1 ILE B 219 74.403 10.992 -11.220 1.00 0.23 C +ATOM 4495 CG2 ILE B 219 74.266 9.520 -9.169 1.00 0.23 C +ATOM 4496 CD1 ILE B 219 72.954 11.155 -11.551 1.00 0.23 C +ATOM 4497 N PHE B 220 76.525 7.098 -10.454 1.00 0.13 N +ATOM 4498 CA PHE B 220 76.926 5.850 -9.822 1.00 0.13 C +ATOM 4499 C PHE B 220 78.413 5.762 -9.699 1.00 0.13 C +ATOM 4500 O PHE B 220 78.936 5.226 -8.712 1.00 0.13 O +ATOM 4501 CB PHE B 220 76.441 4.681 -10.640 1.00 0.13 C +ATOM 4502 CG PHE B 220 75.114 4.197 -10.227 1.00 0.13 C +ATOM 4503 CD1 PHE B 220 74.964 3.530 -9.020 1.00 0.13 C +ATOM 4504 CD2 PHE B 220 74.005 4.414 -11.034 1.00 0.13 C +ATOM 4505 CE1 PHE B 220 73.728 3.083 -8.620 1.00 0.13 C +ATOM 4506 CE2 PHE B 220 72.761 3.973 -10.649 1.00 0.13 C +ATOM 4507 CZ PHE B 220 72.615 3.303 -9.437 1.00 0.13 C +ATOM 4508 N PHE B 221 79.102 6.261 -10.714 1.00 0.00 N +ATOM 4509 CA PHE B 221 80.549 6.248 -10.718 1.00 0.00 C +ATOM 4510 C PHE B 221 81.059 7.136 -9.602 1.00 0.00 C +ATOM 4511 O PHE B 221 81.713 6.656 -8.686 1.00 0.00 O +ATOM 4512 CB PHE B 221 81.062 6.747 -12.067 1.00 0.00 C +ATOM 4513 CG PHE B 221 82.537 6.977 -12.096 1.00 0.00 C +ATOM 4514 CD1 PHE B 221 83.095 8.090 -11.456 1.00 0.00 C +ATOM 4515 CD2 PHE B 221 83.379 6.056 -12.714 1.00 0.00 C +ATOM 4516 CE1 PHE B 221 84.467 8.282 -11.422 1.00 0.00 C +ATOM 4517 CE2 PHE B 221 84.752 6.232 -12.690 1.00 0.00 C +ATOM 4518 CZ PHE B 221 85.302 7.351 -12.038 1.00 0.00 C +ATOM 4519 N CYS B 222 80.768 8.427 -9.699 1.00 0.60 N +ATOM 4520 CA CYS B 222 81.195 9.391 -8.703 1.00 0.60 C +ATOM 4521 C CYS B 222 80.815 8.895 -7.336 1.00 0.60 C +ATOM 4522 O CYS B 222 81.458 9.243 -6.353 1.00 0.60 O +ATOM 4523 CB CYS B 222 80.539 10.744 -8.977 1.00 0.60 C +ATOM 4524 SG CYS B 222 80.401 11.795 -7.515 1.00 0.60 S +ATOM 4525 N TYR B 223 79.766 8.090 -7.263 1.00 0.00 N +ATOM 4526 CA TYR B 223 79.365 7.560 -5.979 1.00 0.00 C +ATOM 4527 C TYR B 223 80.386 6.557 -5.556 1.00 0.00 C +ATOM 4528 O TYR B 223 80.466 6.219 -4.386 1.00 0.00 O +ATOM 4529 CB TYR B 223 78.019 6.869 -6.058 1.00 0.00 C +ATOM 4530 CG TYR B 223 77.760 6.058 -4.823 1.00 0.00 C +ATOM 4531 CD1 TYR B 223 77.448 6.675 -3.616 1.00 0.00 C +ATOM 4532 CD2 TYR B 223 77.875 4.673 -4.846 1.00 0.00 C +ATOM 4533 CE1 TYR B 223 77.255 5.929 -2.456 1.00 0.00 C +ATOM 4534 CE2 TYR B 223 77.686 3.914 -3.697 1.00 0.00 C +ATOM 4535 CZ TYR B 223 77.373 4.543 -2.503 1.00 0.00 C +ATOM 4536 OH TYR B 223 77.168 3.782 -1.366 1.00 0.00 O +ATOM 4537 N GLY B 224 81.148 6.056 -6.520 1.00100.00 N +ATOM 4538 CA GLY B 224 82.189 5.090 -6.219 1.00100.00 C +ATOM 4539 C GLY B 224 83.431 5.797 -5.701 1.00100.00 C +ATOM 4540 O GLY B 224 84.151 5.276 -4.851 1.00100.00 O +ATOM 4541 N GLN B 225 83.679 6.998 -6.217 1.00 0.03 N +ATOM 4542 CA GLN B 225 84.827 7.803 -5.810 1.00 0.03 C +ATOM 4543 C GLN B 225 84.726 8.139 -4.339 1.00 0.03 C +ATOM 4544 O GLN B 225 85.691 7.941 -3.597 1.00 0.03 O +ATOM 4545 CB GLN B 225 84.886 9.088 -6.635 1.00 0.03 C +ATOM 4546 CG GLN B 225 85.069 8.823 -8.112 1.00 0.03 C +ATOM 4547 CD GLN B 225 86.249 7.900 -8.380 1.00 0.03 C +ATOM 4548 OE1 GLN B 225 87.410 8.302 -8.267 1.00 0.03 O +ATOM 4549 NE2 GLN B 225 85.953 6.648 -8.720 1.00 0.03 N +ATOM 4550 N LEU B 226 83.569 8.639 -3.914 1.00 0.00 N +ATOM 4551 CA LEU B 226 83.362 8.989 -2.512 1.00 0.00 C +ATOM 4552 C LEU B 226 82.942 7.752 -1.706 1.00 0.00 C +ATOM 4553 O LEU B 226 82.111 7.856 -0.793 1.00 0.00 O +ATOM 4554 CB LEU B 226 82.310 10.099 -2.399 1.00 0.00 C +ATOM 4555 CG LEU B 226 82.709 11.451 -3.006 1.00 0.00 C +ATOM 4556 CD1 LEU B 226 83.008 11.316 -4.496 1.00 0.00 C +ATOM 4557 CD2 LEU B 226 81.589 12.442 -2.772 1.00 0.00 C +ATOM 4558 N VAL B 227 83.513 6.594 -2.051 1.00 0.15 N +ATOM 4559 CA VAL B 227 83.221 5.347 -1.341 1.00 0.15 C +ATOM 4560 C VAL B 227 84.296 5.147 -0.295 1.00 0.15 C +ATOM 4561 O VAL B 227 83.980 4.749 0.840 1.00 0.15 O +ATOM 4562 CB VAL B 227 83.200 4.108 -2.282 1.00 0.15 C +ATOM 4563 CG1 VAL B 227 84.621 3.706 -2.678 1.00 0.15 C +ATOM 4564 CG2 VAL B 227 82.480 2.952 -1.590 1.00 0.15 C +ATOM 4565 N PHE B 228 85.553 5.415 -0.670 1.00 0.28 N +ATOM 4566 CA PHE B 228 86.676 5.299 0.265 1.00 0.28 C +ATOM 4567 C PHE B 228 86.672 6.520 1.169 1.00 0.28 C +ATOM 4568 O PHE B 228 86.838 6.383 2.391 1.00 0.28 O +ATOM 4569 CB PHE B 228 88.030 5.217 -0.461 1.00 0.28 C +ATOM 4570 CG PHE B 228 89.231 5.214 0.484 1.00 0.28 C +ATOM 4571 CD1 PHE B 228 89.276 4.341 1.587 1.00 0.28 C +ATOM 4572 CD2 PHE B 228 90.311 6.082 0.276 1.00 0.28 C +ATOM 4573 CE1 PHE B 228 90.383 4.334 2.472 1.00 0.28 C +ATOM 4574 CE2 PHE B 228 91.426 6.083 1.153 1.00 0.28 C +ATOM 4575 CZ PHE B 228 91.457 5.207 2.251 1.00 0.28 C +ATOM 4576 N THR B 229 86.494 7.702 0.578 1.00 1.27 N +ATOM 4577 CA THR B 229 86.442 8.941 1.348 1.00 1.27 C +ATOM 4578 C THR B 229 85.125 8.978 2.176 1.00 1.27 C +ATOM 4579 O THR B 229 84.688 7.917 2.649 1.00 1.27 O +ATOM 4580 CB THR B 229 86.585 10.186 0.411 1.00 1.27 C +ATOM 4581 OG1 THR B 229 86.314 9.816 -0.949 1.00 1.27 O +ATOM 4582 CG2 THR B 229 88.001 10.740 0.490 1.00 1.27 C +ATOM 4583 N VAL B 230 84.500 10.145 2.355 1.00 1.04 N +ATOM 4584 CA VAL B 230 83.270 10.228 3.156 1.00 1.04 C +ATOM 4585 C VAL B 230 82.270 9.141 2.772 1.00 1.04 C +ATOM 4586 O VAL B 230 81.857 9.059 1.604 1.00 1.04 O +ATOM 4587 CB VAL B 230 82.576 11.610 3.018 1.00 1.04 C +ATOM 4588 CG1 VAL B 230 82.222 11.879 1.576 1.00 1.04 C +ATOM 4589 CG2 VAL B 230 81.316 11.635 3.852 1.00 1.04 C +ATOM 4590 N LYS B 231 81.903 8.300 3.741 1.00 0.03 N +ATOM 4591 CA LYS B 231 80.916 7.239 3.517 1.00 0.03 C +ATOM 4592 C LYS B 231 79.690 7.620 4.319 1.00 0.03 C +ATOM 4593 O LYS B 231 79.493 8.810 4.610 1.00 0.03 O +ATOM 4594 CB LYS B 231 81.408 5.872 4.019 1.00 0.03 C +ATOM 4595 CG LYS B 231 82.907 5.672 4.031 1.00 0.03 C +ATOM 4596 CD LYS B 231 83.316 4.956 5.314 1.00 0.03 C +ATOM 4597 CE LYS B 231 82.879 5.747 6.556 1.00 0.03 C +ATOM 4598 NZ LYS B 231 83.131 5.012 7.832 1.00 0.03 N +ATOM 4599 N GLU B 232 78.880 6.629 4.691 1.00 0.00 N +ATOM 4600 CA GLU B 232 77.682 6.901 5.482 1.00 0.00 C +ATOM 4601 C GLU B 232 78.096 7.276 6.900 1.00 0.00 C +ATOM 4602 O GLU B 232 77.593 8.275 7.429 1.00 0.00 O +ATOM 4603 CB GLU B 232 76.735 5.679 5.502 1.00 0.00 C +ATOM 4604 CG GLU B 232 76.012 5.378 4.158 1.00 0.00 C +ATOM 4605 CD GLU B 232 74.508 5.725 4.146 1.00 0.00 C +ATOM 4606 OE1 GLU B 232 73.743 5.130 4.944 1.00 0.00 O +ATOM 4607 OE2 GLU B 232 74.088 6.583 3.329 1.00 0.00 O +ATOM 4608 N ALA B 233 79.019 6.510 7.491 1.00 0.00 N +ATOM 4609 CA ALA B 233 79.501 6.757 8.861 1.00 0.00 C +ATOM 4610 C ALA B 233 79.936 8.229 9.074 1.00 0.00 C +ATOM 4611 O ALA B 233 80.919 8.691 8.472 1.00 0.00 O +ATOM 4612 CB ALA B 233 80.662 5.794 9.193 1.00 0.00 C +ATOM 4613 N ALA B 234 79.195 8.939 9.933 1.00 0.00 N +ATOM 4614 CA ALA B 234 79.443 10.351 10.274 1.00 0.00 C +ATOM 4615 C ALA B 234 79.107 10.583 11.764 1.00 0.00 C +ATOM 4616 O ALA B 234 77.930 10.760 12.097 1.00 0.00 O +ATOM 4617 CB ALA B 234 78.584 11.273 9.373 1.00 0.00 C +ATOM 4618 N ALA B 235 80.130 10.595 12.631 1.00 0.01 N +ATOM 4619 CA ALA B 235 79.977 10.764 14.094 1.00 0.01 C +ATOM 4620 C ALA B 235 79.341 12.097 14.494 1.00 0.01 C +ATOM 4621 O ALA B 235 78.857 12.837 13.628 1.00 0.01 O +ATOM 4622 CB ALA B 235 81.342 10.607 14.795 1.00 0.01 C +ATOM 4623 N GLN B 236 79.341 12.392 15.801 1.00 0.00 N +ATOM 4624 CA GLN B 236 78.753 13.631 16.329 1.00 0.00 C +ATOM 4625 C GLN B 236 79.569 14.844 15.919 1.00 0.00 C +ATOM 4626 O GLN B 236 80.614 14.680 15.278 1.00 0.00 O +ATOM 4627 CB GLN B 236 78.604 13.572 17.865 1.00 0.00 C +ATOM 4628 CG GLN B 236 79.673 12.796 18.623 1.00 0.00 C +ATOM 4629 CD GLN B 236 81.022 13.459 18.589 1.00 0.00 C +ATOM 4630 OE1 GLN B 236 81.953 12.955 17.969 1.00 0.00 O +ATOM 4631 NE2 GLN B 236 81.135 14.600 19.255 1.00 0.00 N +ATOM 4632 N GLN B 237 79.087 16.040 16.275 1.00 0.00 N +ATOM 4633 CA GLN B 237 79.746 17.308 15.932 1.00 0.00 C +ATOM 4634 C GLN B 237 81.214 17.094 15.588 1.00 0.00 C +ATOM 4635 O GLN B 237 82.054 17.148 16.492 1.00 0.00 O +ATOM 4636 CB GLN B 237 79.652 18.323 17.088 1.00 0.00 C +ATOM 4637 CG GLN B 237 78.247 18.802 17.463 1.00 0.00 C +ATOM 4638 CD GLN B 237 77.590 17.961 18.557 1.00 0.00 C +ATOM 4639 OE1 GLN B 237 76.513 18.305 19.048 1.00 0.00 O +ATOM 4640 NE2 GLN B 237 78.235 16.857 18.940 1.00 0.00 N +ATOM 4641 N GLN B 238 81.503 16.834 14.306 1.00 0.00 N +ATOM 4642 CA GLN B 238 82.872 16.637 13.795 1.00 0.00 C +ATOM 4643 C GLN B 238 83.248 15.173 13.589 1.00 0.00 C +ATOM 4644 O GLN B 238 82.668 14.269 14.199 1.00 0.00 O +ATOM 4645 CB GLN B 238 83.894 17.318 14.718 1.00 0.00 C +ATOM 4646 CG GLN B 238 85.346 17.090 14.383 1.00 0.00 C +ATOM 4647 CD GLN B 238 86.249 17.758 15.388 1.00 0.00 C +ATOM 4648 OE1 GLN B 238 86.327 18.982 15.450 1.00 0.00 O +ATOM 4649 NE2 GLN B 238 86.923 16.954 16.199 1.00 0.00 N +ATOM 4650 N GLU B 239 84.220 14.961 12.702 1.00 0.04 N +ATOM 4651 CA GLU B 239 84.750 13.635 12.379 1.00 0.04 C +ATOM 4652 C GLU B 239 86.217 13.801 11.984 1.00 0.04 C +ATOM 4653 O GLU B 239 86.951 12.813 11.812 1.00 0.04 O +ATOM 4654 CB GLU B 239 83.979 13.008 11.211 1.00 0.04 C +ATOM 4655 CG GLU B 239 84.185 11.508 11.070 1.00 0.04 C +ATOM 4656 CD GLU B 239 83.497 10.732 12.179 1.00 0.04 C +ATOM 4657 OE1 GLU B 239 83.598 11.154 13.354 1.00 0.04 O +ATOM 4658 OE2 GLU B 239 82.863 9.700 11.875 1.00 0.04 O +ATOM 4659 N SER B 240 86.617 15.067 11.849 1.00 0.03 N +ATOM 4660 CA SER B 240 87.970 15.495 11.471 1.00 0.03 C +ATOM 4661 C SER B 240 87.880 17.005 11.253 1.00 0.03 C +ATOM 4662 O SER B 240 88.668 17.604 10.509 1.00 0.03 O +ATOM 4663 CB SER B 240 88.409 14.789 10.175 1.00 0.03 C +ATOM 4664 OG SER B 240 89.770 15.052 9.869 1.00 0.03 O +ATOM 4665 N ALA B 241 86.897 17.580 11.945 1.00 0.10 N +ATOM 4666 CA ALA B 241 86.512 18.985 11.920 1.00 0.10 C +ATOM 4667 C ALA B 241 85.036 18.915 11.664 1.00 0.10 C +ATOM 4668 O ALA B 241 84.630 18.177 10.770 1.00 0.10 O +ATOM 4669 CB ALA B 241 87.206 19.739 10.778 1.00 0.10 C +ATOM 4670 N THR B 242 84.220 19.623 12.437 1.00 0.04 N +ATOM 4671 CA THR B 242 82.778 19.556 12.204 1.00 0.04 C +ATOM 4672 C THR B 242 82.480 19.976 10.770 1.00 0.04 C +ATOM 4673 O THR B 242 81.400 19.669 10.257 1.00 0.04 O +ATOM 4674 CB THR B 242 81.975 20.454 13.195 1.00 0.04 C +ATOM 4675 OG1 THR B 242 82.354 20.144 14.543 1.00 0.04 O +ATOM 4676 CG2 THR B 242 80.464 20.208 13.044 1.00 0.04 C +ATOM 4677 N THR B 243 83.432 20.660 10.132 1.00 0.70 N +ATOM 4678 CA THR B 243 83.277 21.110 8.744 1.00 0.70 C +ATOM 4679 C THR B 243 83.286 19.887 7.856 1.00 0.70 C +ATOM 4680 O THR B 243 82.513 19.797 6.907 1.00 0.70 O +ATOM 4681 CB THR B 243 84.440 22.061 8.305 1.00 0.70 C +ATOM 4682 OG1 THR B 243 84.098 22.709 7.067 1.00 0.70 O +ATOM 4683 CG2 THR B 243 85.755 21.269 8.128 1.00 0.70 C +ATOM 4684 N GLN B 244 84.164 18.947 8.182 1.00 0.04 N +ATOM 4685 CA GLN B 244 84.287 17.710 7.436 1.00 0.04 C +ATOM 4686 C GLN B 244 83.144 16.784 7.826 1.00 0.04 C +ATOM 4687 O GLN B 244 82.801 15.884 7.063 1.00 0.04 O +ATOM 4688 CB GLN B 244 85.663 17.093 7.738 1.00 0.04 C +ATOM 4689 CG GLN B 244 85.833 15.607 7.427 1.00 0.04 C +ATOM 4690 CD GLN B 244 85.464 14.711 8.607 1.00 0.04 C +ATOM 4691 OE1 GLN B 244 85.728 13.497 8.595 1.00 0.04 O +ATOM 4692 NE2 GLN B 244 84.850 15.305 9.635 1.00 0.04 N +ATOM 4693 N LYS B 245 82.538 17.035 8.986 1.00 0.00 N +ATOM 4694 CA LYS B 245 81.439 16.217 9.496 1.00 0.00 C +ATOM 4695 C LYS B 245 80.067 16.803 9.161 1.00 0.00 C +ATOM 4696 O LYS B 245 79.044 16.156 9.388 1.00 0.00 O +ATOM 4697 CB LYS B 245 81.567 16.058 11.008 1.00 0.00 C +ATOM 4698 CG LYS B 245 80.563 15.099 11.633 1.00 0.00 C +ATOM 4699 CD LYS B 245 80.916 13.650 11.344 1.00 0.00 C +ATOM 4700 CE LYS B 245 80.929 13.343 9.853 1.00 0.00 C +ATOM 4701 NZ LYS B 245 81.646 12.075 9.557 1.00 0.00 N +ATOM 4702 N ALA B 246 80.037 18.021 8.640 1.00 0.00 N +ATOM 4703 CA ALA B 246 78.774 18.643 8.275 1.00 0.00 C +ATOM 4704 C ALA B 246 78.569 18.463 6.799 1.00 0.00 C +ATOM 4705 O ALA B 246 77.496 18.738 6.285 1.00 0.00 O +ATOM 4706 CB ALA B 246 78.800 20.114 8.615 1.00 0.00 C +ATOM 4707 N GLU B 247 79.612 18.017 6.112 1.00 0.00 N +ATOM 4708 CA GLU B 247 79.515 17.794 4.684 1.00 0.00 C +ATOM 4709 C GLU B 247 79.017 16.414 4.459 1.00 0.00 C +ATOM 4710 O GLU B 247 78.310 16.161 3.491 1.00 0.00 O +ATOM 4711 CB GLU B 247 80.872 17.980 4.010 1.00 0.00 C +ATOM 4712 CG GLU B 247 81.107 19.406 3.535 1.00 0.00 C +ATOM 4713 CD GLU B 247 79.912 19.962 2.766 1.00 0.00 C +ATOM 4714 OE1 GLU B 247 79.479 19.312 1.787 1.00 0.00 O +ATOM 4715 OE2 GLU B 247 79.401 21.046 3.139 1.00 0.00 O +ATOM 4716 N LYS B 248 79.379 15.513 5.358 1.00 0.05 N +ATOM 4717 CA LYS B 248 78.927 14.147 5.232 1.00 0.05 C +ATOM 4718 C LYS B 248 77.417 14.126 5.371 1.00 0.05 C +ATOM 4719 O LYS B 248 76.815 13.110 5.073 1.00 0.05 O +ATOM 4720 CB LYS B 248 79.591 13.258 6.292 1.00 0.05 C +ATOM 4721 CG LYS B 248 81.098 13.481 6.368 1.00 0.05 C +ATOM 4722 CD LYS B 248 81.871 12.253 6.841 1.00 0.05 C +ATOM 4723 CE LYS B 248 83.386 12.511 6.813 1.00 0.05 C +ATOM 4724 NZ LYS B 248 83.894 12.920 5.456 1.00 0.05 N +ATOM 4725 N GLU B 249 76.802 15.231 5.802 1.00 0.00 N +ATOM 4726 CA GLU B 249 75.344 15.264 5.937 1.00 0.00 C +ATOM 4727 C GLU B 249 74.743 15.702 4.625 1.00 0.00 C +ATOM 4728 O GLU B 249 73.620 15.322 4.308 1.00 0.00 O +ATOM 4729 CB GLU B 249 74.881 16.208 7.063 1.00 0.00 C +ATOM 4730 CG GLU B 249 74.880 17.699 6.716 1.00 0.00 C +ATOM 4731 CD GLU B 249 73.641 18.455 7.235 1.00 0.00 C +ATOM 4732 OE1 GLU B 249 73.192 18.173 8.370 1.00 0.00 O +ATOM 4733 OE2 GLU B 249 73.121 19.346 6.514 1.00 0.00 O +ATOM 4734 N VAL B 250 75.479 16.503 3.865 1.00 0.00 N +ATOM 4735 CA VAL B 250 74.989 16.951 2.571 1.00 0.00 C +ATOM 4736 C VAL B 250 75.124 15.807 1.592 1.00 0.00 C +ATOM 4737 O VAL B 250 74.273 15.643 0.727 1.00 0.00 O +ATOM 4738 CB VAL B 250 75.782 18.170 2.054 1.00 0.00 C +ATOM 4739 CG1 VAL B 250 75.373 18.504 0.639 1.00 0.00 C +ATOM 4740 CG2 VAL B 250 75.513 19.366 2.942 1.00 0.00 C +ATOM 4741 N THR B 251 76.174 15.002 1.744 1.00 0.00 N +ATOM 4742 CA THR B 251 76.409 13.864 0.857 1.00 0.00 C +ATOM 4743 C THR B 251 75.287 12.835 0.990 1.00 0.00 C +ATOM 4744 O THR B 251 74.800 12.324 -0.027 1.00 0.00 O +ATOM 4745 CB THR B 251 77.762 13.179 1.179 1.00 0.00 C +ATOM 4746 OG1 THR B 251 78.829 14.113 0.991 1.00 0.00 O +ATOM 4747 CG2 THR B 251 77.994 11.995 0.269 1.00 0.00 C +ATOM 4748 N ARG B 252 74.880 12.548 2.229 1.00 0.00 N +ATOM 4749 CA ARG B 252 73.833 11.568 2.526 1.00 0.00 C +ATOM 4750 C ARG B 252 72.516 12.013 1.970 1.00 0.00 C +ATOM 4751 O ARG B 252 71.722 11.185 1.534 1.00 0.00 O +ATOM 4752 CB ARG B 252 73.757 11.364 4.026 1.00 0.00 C +ATOM 4753 CG ARG B 252 75.110 10.978 4.549 1.00 0.00 C +ATOM 4754 CD ARG B 252 75.223 11.122 6.034 1.00 0.00 C +ATOM 4755 NE ARG B 252 74.390 10.151 6.719 1.00 0.00 N +ATOM 4756 CZ ARG B 252 74.400 9.951 8.034 1.00 0.00 C +ATOM 4757 NH1 ARG B 252 75.213 10.664 8.814 1.00 0.00 N +ATOM 4758 NH2 ARG B 252 73.595 9.035 8.566 1.00 0.00 N +ATOM 4759 N MET B 253 72.263 13.312 1.990 1.00 0.05 N +ATOM 4760 CA MET B 253 71.036 13.798 1.408 1.00 0.05 C +ATOM 4761 C MET B 253 71.128 13.485 -0.067 1.00 0.05 C +ATOM 4762 O MET B 253 70.246 12.840 -0.621 1.00 0.05 O +ATOM 4763 CB MET B 253 70.904 15.294 1.611 1.00 0.05 C +ATOM 4764 CG MET B 253 69.731 15.838 0.903 1.00 0.05 C +ATOM 4765 SD MET B 253 69.388 17.394 1.560 1.00 0.05 S +ATOM 4766 CE MET B 253 68.504 18.102 0.231 1.00 0.05 C +ATOM 4767 N VAL B 254 72.222 13.920 -0.685 1.00 0.00 N +ATOM 4768 CA VAL B 254 72.474 13.693 -2.103 1.00 0.00 C +ATOM 4769 C VAL B 254 72.255 12.225 -2.466 1.00 0.00 C +ATOM 4770 O VAL B 254 71.741 11.933 -3.545 1.00 0.00 O +ATOM 4771 CB VAL B 254 73.918 14.139 -2.470 1.00 0.00 C +ATOM 4772 CG1 VAL B 254 74.363 13.530 -3.794 1.00 0.00 C +ATOM 4773 CG2 VAL B 254 73.954 15.646 -2.571 1.00 0.00 C +ATOM 4774 N ILE B 255 72.625 11.309 -1.578 1.00 0.10 N +ATOM 4775 CA ILE B 255 72.446 9.880 -1.847 1.00 0.10 C +ATOM 4776 C ILE B 255 70.983 9.521 -1.779 1.00 0.10 C +ATOM 4777 O ILE B 255 70.475 8.834 -2.660 1.00 0.10 O +ATOM 4778 CB ILE B 255 73.237 9.006 -0.834 1.00 0.10 C +ATOM 4779 CG1 ILE B 255 74.714 8.996 -1.218 1.00 0.10 C +ATOM 4780 CG2 ILE B 255 72.687 7.593 -0.793 1.00 0.10 C +ATOM 4781 CD1 ILE B 255 75.548 8.111 -0.337 1.00 0.10 C +ATOM 4782 N ILE B 256 70.317 9.980 -0.731 1.00 0.01 N +ATOM 4783 CA ILE B 256 68.903 9.718 -0.551 1.00 0.01 C +ATOM 4784 C ILE B 256 68.112 10.287 -1.708 1.00 0.01 C +ATOM 4785 O ILE B 256 67.132 9.682 -2.125 1.00 0.01 O +ATOM 4786 CB ILE B 256 68.427 10.330 0.757 1.00 0.01 C +ATOM 4787 CG1 ILE B 256 68.846 9.414 1.890 1.00 0.01 C +ATOM 4788 CG2 ILE B 256 66.942 10.585 0.729 1.00 0.01 C +ATOM 4789 CD1 ILE B 256 68.506 7.988 1.626 1.00 0.01 C +ATOM 4790 N MET B 257 68.533 11.440 -2.221 1.00 0.28 N +ATOM 4791 CA MET B 257 67.857 12.072 -3.349 1.00 0.28 C +ATOM 4792 C MET B 257 67.938 11.158 -4.581 1.00 0.28 C +ATOM 4793 O MET B 257 66.985 11.061 -5.363 1.00 0.28 O +ATOM 4794 CB MET B 257 68.503 13.432 -3.639 1.00 0.28 C +ATOM 4795 CG MET B 257 68.188 14.515 -2.598 1.00 0.28 C +ATOM 4796 SD MET B 257 69.052 16.102 -2.894 1.00 0.28 S +ATOM 4797 CE MET B 257 68.312 16.668 -4.422 1.00 0.28 C +ATOM 4798 N VAL B 258 69.072 10.487 -4.742 1.00 0.00 N +ATOM 4799 CA VAL B 258 69.286 9.572 -5.854 1.00 0.00 C +ATOM 4800 C VAL B 258 68.393 8.355 -5.697 1.00 0.00 C +ATOM 4801 O VAL B 258 67.795 7.904 -6.667 1.00 0.00 O +ATOM 4802 CB VAL B 258 70.755 9.142 -5.898 1.00 0.00 C +ATOM 4803 CG1 VAL B 258 70.954 8.043 -6.903 1.00 0.00 C +ATOM 4804 CG2 VAL B 258 71.606 10.332 -6.252 1.00 0.00 C +ATOM 4805 N ILE B 259 68.317 7.827 -4.479 1.00 0.03 N +ATOM 4806 CA ILE B 259 67.482 6.662 -4.184 1.00 0.03 C +ATOM 4807 C ILE B 259 66.048 6.986 -4.556 1.00 0.03 C +ATOM 4808 O ILE B 259 65.439 6.280 -5.358 1.00 0.03 O +ATOM 4809 CB ILE B 259 67.467 6.315 -2.672 1.00 0.03 C +ATOM 4810 CG1 ILE B 259 68.847 6.525 -2.045 1.00 0.03 C +ATOM 4811 CG2 ILE B 259 67.015 4.874 -2.484 1.00 0.03 C +ATOM 4812 CD1 ILE B 259 69.847 5.497 -2.431 1.00 0.03 C +ATOM 4813 N ALA B 260 65.522 8.057 -3.959 1.00 0.02 N +ATOM 4814 CA ALA B 260 64.159 8.505 -4.193 1.00 0.02 C +ATOM 4815 C ALA B 260 63.906 8.599 -5.672 1.00 0.02 C +ATOM 4816 O ALA B 260 62.872 8.166 -6.151 1.00 0.02 O +ATOM 4817 CB ALA B 260 63.937 9.856 -3.531 1.00 0.02 C +ATOM 4818 N PHE B 261 64.857 9.148 -6.406 1.00 1.64 N +ATOM 4819 CA PHE B 261 64.687 9.288 -7.837 1.00 1.64 C +ATOM 4820 C PHE B 261 64.542 7.939 -8.503 1.00 1.64 C +ATOM 4821 O PHE B 261 63.659 7.766 -9.331 1.00 1.64 O +ATOM 4822 CB PHE B 261 65.881 10.020 -8.448 1.00 1.64 C +ATOM 4823 CG PHE B 261 65.787 10.175 -9.937 1.00 1.64 C +ATOM 4824 CD1 PHE B 261 65.138 11.271 -10.496 1.00 1.64 C +ATOM 4825 CD2 PHE B 261 66.291 9.192 -10.786 1.00 1.64 C +ATOM 4826 CE1 PHE B 261 64.988 11.389 -11.885 1.00 1.64 C +ATOM 4827 CE2 PHE B 261 66.146 9.295 -12.179 1.00 1.64 C +ATOM 4828 CZ PHE B 261 65.492 10.398 -12.730 1.00 1.64 C +ATOM 4829 N LEU B 262 65.410 6.995 -8.164 1.00 15.63 N +ATOM 4830 CA LEU B 262 65.382 5.676 -8.788 1.00 15.63 C +ATOM 4831 C LEU B 262 64.088 4.960 -8.486 1.00 15.63 C +ATOM 4832 O LEU B 262 63.518 4.307 -9.358 1.00 15.63 O +ATOM 4833 CB LEU B 262 66.590 4.855 -8.318 1.00 15.63 C +ATOM 4834 CG LEU B 262 67.944 5.449 -8.761 1.00 15.63 C +ATOM 4835 CD1 LEU B 262 69.113 4.622 -8.237 1.00 15.63 C +ATOM 4836 CD2 LEU B 262 67.988 5.509 -10.283 1.00 15.63 C +ATOM 4837 N ILE B 263 63.622 5.089 -7.256 1.00 0.02 N +ATOM 4838 CA ILE B 263 62.376 4.467 -6.836 1.00 0.02 C +ATOM 4839 C ILE B 263 61.233 5.099 -7.601 1.00 0.02 C +ATOM 4840 O ILE B 263 60.181 4.497 -7.785 1.00 0.02 O +ATOM 4841 CB ILE B 263 62.142 4.697 -5.333 1.00 0.02 C +ATOM 4842 CG1 ILE B 263 63.241 4.004 -4.535 1.00 0.02 C +ATOM 4843 CG2 ILE B 263 60.775 4.206 -4.930 1.00 0.02 C +ATOM 4844 CD1 ILE B 263 63.182 4.274 -3.068 1.00 0.02 C +ATOM 4845 N CYS B 264 61.443 6.320 -8.059 1.00 0.68 N +ATOM 4846 CA CYS B 264 60.410 7.027 -8.783 1.00 0.68 C +ATOM 4847 C CYS B 264 60.435 6.699 -10.265 1.00 0.68 C +ATOM 4848 O CYS B 264 59.367 6.610 -10.867 1.00 0.68 O +ATOM 4849 CB CYS B 264 60.616 8.536 -8.607 1.00 0.68 C +ATOM 4850 SG CYS B 264 59.143 9.492 -8.170 1.00 0.68 S +ATOM 4851 N TRP B 265 61.617 6.460 -10.839 1.00 2.28 N +ATOM 4852 CA TRP B 265 61.697 6.297 -12.295 1.00 2.28 C +ATOM 4853 C TRP B 265 62.118 4.956 -12.816 1.00 2.28 C +ATOM 4854 O TRP B 265 61.909 4.705 -14.006 1.00 2.28 O +ATOM 4855 CB TRP B 265 62.610 7.383 -12.889 1.00 2.28 C +ATOM 4856 CG TRP B 265 62.059 8.745 -12.640 1.00 2.28 C +ATOM 4857 CD1 TRP B 265 62.352 9.573 -11.594 1.00 2.28 C +ATOM 4858 CD2 TRP B 265 61.019 9.395 -13.391 1.00 2.28 C +ATOM 4859 NE1 TRP B 265 61.555 10.699 -11.645 1.00 2.28 N +ATOM 4860 CE2 TRP B 265 60.731 10.614 -12.737 1.00 2.28 C +ATOM 4861 CE3 TRP B 265 60.300 9.062 -14.555 1.00 2.28 C +ATOM 4862 CZ2 TRP B 265 59.756 11.501 -13.209 1.00 2.28 C +ATOM 4863 CZ3 TRP B 265 59.333 9.943 -15.020 1.00 2.28 C +ATOM 4864 CH2 TRP B 265 59.071 11.147 -14.347 1.00 2.28 C +ATOM 4865 N LEU B 266 62.726 4.103 -12.015 1.00 0.23 N +ATOM 4866 CA LEU B 266 63.083 2.822 -12.587 1.00 0.23 C +ATOM 4867 C LEU B 266 61.818 2.098 -12.954 1.00 0.23 C +ATOM 4868 O LEU B 266 61.716 1.581 -14.057 1.00 0.23 O +ATOM 4869 CB LEU B 266 63.917 1.991 -11.618 1.00 0.23 C +ATOM 4870 CG LEU B 266 65.423 2.098 -11.831 1.00 0.23 C +ATOM 4871 CD1 LEU B 266 65.790 3.519 -12.218 1.00 0.23 C +ATOM 4872 CD2 LEU B 266 66.137 1.686 -10.574 1.00 0.23 C +ATOM 4873 N PRO B 267 60.824 2.058 -12.054 1.00 0.00 N +ATOM 4874 CA PRO B 267 59.627 1.344 -12.477 1.00 0.00 C +ATOM 4875 C PRO B 267 59.069 1.883 -13.781 1.00 0.00 C +ATOM 4876 O PRO B 267 58.723 1.100 -14.646 1.00 0.00 O +ATOM 4877 CB PRO B 267 58.677 1.514 -11.288 1.00 0.00 C +ATOM 4878 CG PRO B 267 59.175 2.743 -10.597 1.00 0.00 C +ATOM 4879 CD PRO B 267 60.661 2.609 -10.700 1.00 0.00 C +ATOM 4880 N TYR B 268 59.011 3.203 -13.939 1.00 0.00 N +ATOM 4881 CA TYR B 268 58.483 3.789 -15.164 1.00 0.00 C +ATOM 4882 C TYR B 268 59.371 3.465 -16.331 1.00 0.00 C +ATOM 4883 O TYR B 268 58.920 2.919 -17.333 1.00 0.00 O +ATOM 4884 CB TYR B 268 58.409 5.294 -15.051 1.00 0.00 C +ATOM 4885 CG TYR B 268 57.960 5.930 -16.332 1.00 0.00 C +ATOM 4886 CD1 TYR B 268 56.610 6.031 -16.635 1.00 0.00 C +ATOM 4887 CD2 TYR B 268 58.878 6.415 -17.250 1.00 0.00 C +ATOM 4888 CE1 TYR B 268 56.178 6.605 -17.815 1.00 0.00 C +ATOM 4889 CE2 TYR B 268 58.465 6.992 -18.439 1.00 0.00 C +ATOM 4890 CZ TYR B 268 57.106 7.088 -18.717 1.00 0.00 C +ATOM 4891 OH TYR B 268 56.662 7.678 -19.883 1.00 0.00 O +ATOM 4892 N ALA B 269 60.638 3.847 -16.208 1.00 0.83 N +ATOM 4893 CA ALA B 269 61.623 3.617 -17.252 1.00 0.83 C +ATOM 4894 C ALA B 269 61.583 2.174 -17.656 1.00 0.83 C +ATOM 4895 O ALA B 269 61.731 1.866 -18.824 1.00 0.83 O +ATOM 4896 CB ALA B 269 63.004 3.978 -16.749 1.00 0.83 C +ATOM 4897 N GLY B 270 61.369 1.296 -16.686 1.00 0.34 N +ATOM 4898 CA GLY B 270 61.311 -0.125 -16.969 1.00 0.34 C +ATOM 4899 C GLY B 270 60.124 -0.516 -17.834 1.00 0.34 C +ATOM 4900 O GLY B 270 60.290 -1.215 -18.824 1.00 0.34 O +ATOM 4901 N VAL B 271 58.920 -0.081 -17.450 1.00 1.21 N +ATOM 4902 CA VAL B 271 57.704 -0.398 -18.197 1.00 1.21 C +ATOM 4903 C VAL B 271 57.832 0.175 -19.579 1.00 1.21 C +ATOM 4904 O VAL B 271 57.469 -0.470 -20.565 1.00 1.21 O +ATOM 4905 CB VAL B 271 56.478 0.226 -17.541 1.00 1.21 C +ATOM 4906 CG1 VAL B 271 55.276 -0.060 -18.363 1.00 1.21 C +ATOM 4907 CG2 VAL B 271 56.293 -0.320 -16.150 1.00 1.21 C +ATOM 4908 N ALA B 272 58.360 1.397 -19.632 1.00 0.00 N +ATOM 4909 CA ALA B 272 58.583 2.140 -20.878 1.00 0.00 C +ATOM 4910 C ALA B 272 59.491 1.364 -21.791 1.00 0.00 C +ATOM 4911 O ALA B 272 59.229 1.266 -22.977 1.00 0.00 O +ATOM 4912 CB ALA B 272 59.207 3.502 -20.575 1.00 0.00 C +ATOM 4913 N PHE B 273 60.567 0.817 -21.242 1.00 1.14 N +ATOM 4914 CA PHE B 273 61.505 0.063 -22.049 1.00 1.14 C +ATOM 4915 C PHE B 273 60.937 -1.277 -22.398 1.00 1.14 C +ATOM 4916 O PHE B 273 61.244 -1.810 -23.444 1.00 1.14 O +ATOM 4917 CB PHE B 273 62.827 -0.134 -21.325 1.00 1.14 C +ATOM 4918 CG PHE B 273 63.901 -0.665 -22.212 1.00 1.14 C +ATOM 4919 CD1 PHE B 273 64.455 0.142 -23.207 1.00 1.14 C +ATOM 4920 CD2 PHE B 273 64.298 -1.995 -22.124 1.00 1.14 C +ATOM 4921 CE1 PHE B 273 65.388 -0.373 -24.112 1.00 1.14 C +ATOM 4922 CE2 PHE B 273 65.233 -2.526 -23.025 1.00 1.14 C +ATOM 4923 CZ PHE B 273 65.777 -1.712 -24.023 1.00 1.14 C +ATOM 4924 N TYR B 274 60.116 -1.838 -21.532 1.00 4.81 N +ATOM 4925 CA TYR B 274 59.540 -3.126 -21.845 1.00 4.81 C +ATOM 4926 C TYR B 274 58.622 -3.010 -23.061 1.00 4.81 C +ATOM 4927 O TYR B 274 58.704 -3.839 -23.966 1.00 4.81 O +ATOM 4928 CB TYR B 274 58.743 -3.648 -20.674 1.00 4.81 C +ATOM 4929 CG TYR B 274 58.025 -4.901 -21.036 1.00 4.81 C +ATOM 4930 CD1 TYR B 274 58.627 -6.140 -20.866 1.00 4.81 C +ATOM 4931 CD2 TYR B 274 56.747 -4.851 -21.599 1.00 4.81 C +ATOM 4932 CE1 TYR B 274 57.979 -7.315 -21.247 1.00 4.81 C +ATOM 4933 CE2 TYR B 274 56.086 -6.018 -21.987 1.00 4.81 C +ATOM 4934 CZ TYR B 274 56.712 -7.249 -21.804 1.00 4.81 C +ATOM 4935 OH TYR B 274 56.054 -8.405 -22.176 1.00 4.81 O +ATOM 4936 N ILE B 275 57.749 -2.004 -23.066 1.00 2.88 N +ATOM 4937 CA ILE B 275 56.806 -1.753 -24.153 1.00 2.88 C +ATOM 4938 C ILE B 275 57.512 -1.439 -25.469 1.00 2.88 C +ATOM 4939 O ILE B 275 57.000 -1.806 -26.519 1.00 2.88 O +ATOM 4940 CB ILE B 275 55.925 -0.555 -23.820 1.00 2.88 C +ATOM 4941 CG1 ILE B 275 54.959 -0.925 -22.696 1.00 2.88 C +ATOM 4942 CG2 ILE B 275 55.243 -0.039 -25.081 1.00 2.88 C +ATOM 4943 CD1 ILE B 275 54.221 0.282 -22.105 1.00 2.88 C +ATOM 4944 N PHE B 276 58.652 -0.747 -25.421 1.00 0.02 N +ATOM 4945 CA PHE B 276 59.397 -0.374 -26.633 1.00 0.02 C +ATOM 4946 C PHE B 276 59.997 -1.604 -27.311 1.00 0.02 C +ATOM 4947 O PHE B 276 60.102 -1.649 -28.542 1.00 0.02 O +ATOM 4948 CB PHE B 276 60.517 0.609 -26.283 1.00 0.02 C +ATOM 4949 CG PHE B 276 61.334 1.046 -27.470 1.00 0.02 C +ATOM 4950 CD1 PHE B 276 60.795 1.895 -28.432 1.00 0.02 C +ATOM 4951 CD2 PHE B 276 62.656 0.634 -27.615 1.00 0.02 C +ATOM 4952 CE1 PHE B 276 61.562 2.331 -29.512 1.00 0.02 C +ATOM 4953 CE2 PHE B 276 63.428 1.068 -28.697 1.00 0.02 C +ATOM 4954 CZ PHE B 276 62.880 1.918 -29.642 1.00 0.02 C +ATOM 4955 N THR B 277 60.376 -2.599 -26.520 1.00 0.31 N +ATOM 4956 CA THR B 277 60.968 -3.816 -27.055 1.00 0.31 C +ATOM 4957 C THR B 277 59.916 -4.933 -27.191 1.00 0.31 C +ATOM 4958 O THR B 277 60.262 -6.088 -27.439 1.00 0.31 O +ATOM 4959 CB THR B 277 62.142 -4.279 -26.146 1.00 0.31 C +ATOM 4960 OG1 THR B 277 61.643 -4.667 -24.851 1.00 0.31 O +ATOM 4961 CG2 THR B 277 63.159 -3.136 -25.988 1.00 0.31 C +ATOM 4962 N HIS B 278 58.645 -4.586 -27.031 1.00 0.08 N +ATOM 4963 CA HIS B 278 57.546 -5.548 -27.140 1.00 0.08 C +ATOM 4964 C HIS B 278 56.292 -4.796 -27.573 1.00 0.08 C +ATOM 4965 O HIS B 278 55.220 -4.979 -27.003 1.00 0.08 O +ATOM 4966 CB HIS B 278 57.275 -6.228 -25.790 1.00 0.08 C +ATOM 4967 CG HIS B 278 58.368 -7.139 -25.311 1.00 0.08 C +ATOM 4968 ND1 HIS B 278 59.203 -6.812 -24.265 1.00 0.08 N +ATOM 4969 CD2 HIS B 278 58.694 -8.407 -25.667 1.00 0.08 C +ATOM 4970 CE1 HIS B 278 59.988 -7.841 -23.993 1.00 0.08 C +ATOM 4971 NE2 HIS B 278 59.699 -8.824 -24.829 1.00 0.08 N +ATOM 4972 N GLN B 279 56.441 -3.956 -28.588 1.00 0.96 N +ATOM 4973 CA GLN B 279 55.347 -3.128 -29.110 1.00 0.96 C +ATOM 4974 C GLN B 279 54.242 -3.986 -29.761 1.00 0.96 C +ATOM 4975 O GLN B 279 54.558 -4.912 -30.476 1.00 0.96 O +ATOM 4976 CB GLN B 279 55.932 -2.119 -30.125 1.00 0.96 C +ATOM 4977 CG GLN B 279 57.412 -1.794 -29.874 1.00 0.96 C +ATOM 4978 CD GLN B 279 57.937 -0.653 -30.723 1.00 0.96 C +ATOM 4979 OE1 GLN B 279 57.762 0.520 -30.395 1.00 0.96 O +ATOM 4980 NE2 GLN B 279 58.585 -0.996 -31.828 1.00 0.96 N +ATOM 4981 N GLY B 280 52.967 -3.690 -29.509 1.00 0.08 N +ATOM 4982 CA GLY B 280 51.900 -4.466 -30.126 1.00 0.08 C +ATOM 4983 C GLY B 280 51.502 -5.716 -29.359 1.00 0.08 C +ATOM 4984 O GLY B 280 50.473 -6.342 -29.651 1.00 0.08 O +ATOM 4985 N SER B 281 52.326 -6.078 -28.382 1.00 0.13 N +ATOM 4986 CA SER B 281 52.061 -7.240 -27.550 1.00 0.13 C +ATOM 4987 C SER B 281 50.846 -6.945 -26.735 1.00 0.13 C +ATOM 4988 O SER B 281 50.286 -5.835 -26.834 1.00 0.13 O +ATOM 4989 CB SER B 281 53.234 -7.543 -26.622 1.00 0.13 C +ATOM 4990 OG SER B 281 53.418 -6.505 -25.674 1.00 0.13 O +ATOM 4991 N ASP B 282 50.473 -7.889 -25.876 1.00 0.22 N +ATOM 4992 CA ASP B 282 49.246 -7.748 -25.103 1.00 0.22 C +ATOM 4993 C ASP B 282 49.362 -7.239 -23.679 1.00 0.22 C +ATOM 4994 O ASP B 282 49.389 -8.029 -22.744 1.00 0.22 O +ATOM 4995 CB ASP B 282 48.499 -9.072 -25.099 1.00 0.22 C +ATOM 4996 CG ASP B 282 47.029 -8.879 -24.880 1.00 0.22 C +ATOM 4997 OD1 ASP B 282 46.599 -7.698 -24.898 1.00 0.22 O +ATOM 4998 OD2 ASP B 282 46.313 -9.895 -24.701 1.00 0.22 O +ATOM 4999 N PHE B 283 49.378 -5.922 -23.519 1.00 0.02 N +ATOM 5000 CA PHE B 283 49.412 -5.308 -22.201 1.00 0.02 C +ATOM 5001 C PHE B 283 48.206 -4.400 -22.135 1.00 0.02 C +ATOM 5002 O PHE B 283 47.757 -3.923 -23.183 1.00 0.02 O +ATOM 5003 CB PHE B 283 50.696 -4.505 -22.006 1.00 0.02 C +ATOM 5004 CG PHE B 283 50.992 -3.555 -23.123 1.00 0.02 C +ATOM 5005 CD1 PHE B 283 51.752 -3.958 -24.211 1.00 0.02 C +ATOM 5006 CD2 PHE B 283 50.492 -2.261 -23.105 1.00 0.02 C +ATOM 5007 CE1 PHE B 283 52.009 -3.090 -25.261 1.00 0.02 C +ATOM 5008 CE2 PHE B 283 50.746 -1.382 -24.158 1.00 0.02 C +ATOM 5009 CZ PHE B 283 51.503 -1.800 -25.234 1.00 0.02 C +ATOM 5010 N GLY B 284 47.666 -4.170 -20.941 1.00 0.30 N +ATOM 5011 CA GLY B 284 46.492 -3.321 -20.814 1.00 0.30 C +ATOM 5012 C GLY B 284 46.803 -1.932 -20.316 1.00 0.30 C +ATOM 5013 O GLY B 284 47.954 -1.587 -20.156 1.00 0.30 O +ATOM 5014 N PRO B 285 45.781 -1.110 -20.058 1.00 0.00 N +ATOM 5015 CA PRO B 285 45.956 0.260 -19.572 1.00 0.00 C +ATOM 5016 C PRO B 285 46.569 0.406 -18.187 1.00 0.00 C +ATOM 5017 O PRO B 285 47.346 1.326 -17.965 1.00 0.00 O +ATOM 5018 CB PRO B 285 44.541 0.835 -19.651 1.00 0.00 C +ATOM 5019 CG PRO B 285 43.679 -0.360 -19.450 1.00 0.00 C +ATOM 5020 CD PRO B 285 44.358 -1.402 -20.294 1.00 0.00 C +ATOM 5021 N ILE B 286 46.239 -0.492 -17.263 1.00 4.36 N +ATOM 5022 CA ILE B 286 46.767 -0.420 -15.893 1.00 4.36 C +ATOM 5023 C ILE B 286 48.270 -0.585 -15.881 1.00 4.36 C +ATOM 5024 O ILE B 286 48.972 0.006 -15.039 1.00 4.36 O +ATOM 5025 CB ILE B 286 46.161 -1.510 -15.012 1.00 4.36 C +ATOM 5026 CG1 ILE B 286 44.637 -1.404 -15.048 1.00 4.36 C +ATOM 5027 CG2 ILE B 286 46.682 -1.376 -13.601 1.00 4.36 C +ATOM 5028 CD1 ILE B 286 44.098 -0.024 -14.690 1.00 4.36 C +ATOM 5029 N PHE B 287 48.749 -1.408 -16.808 1.00 0.23 N +ATOM 5030 CA PHE B 287 50.163 -1.697 -16.971 1.00 0.23 C +ATOM 5031 C PHE B 287 51.004 -0.422 -16.794 1.00 0.23 C +ATOM 5032 O PHE B 287 51.837 -0.369 -15.885 1.00 0.23 O +ATOM 5033 CB PHE B 287 50.390 -2.322 -18.360 1.00 0.23 C +ATOM 5034 CG PHE B 287 51.790 -2.792 -18.600 1.00 0.23 C +ATOM 5035 CD1 PHE B 287 52.479 -3.505 -17.628 1.00 0.23 C +ATOM 5036 CD2 PHE B 287 52.412 -2.558 -19.813 1.00 0.23 C +ATOM 5037 CE1 PHE B 287 53.770 -3.983 -17.857 1.00 0.23 C +ATOM 5038 CE2 PHE B 287 53.706 -3.031 -20.058 1.00 0.23 C +ATOM 5039 CZ PHE B 287 54.382 -3.746 -19.074 1.00 0.23 C +ATOM 5040 N MET B 288 50.782 0.606 -17.609 1.00 0.00 N +ATOM 5041 CA MET B 288 51.602 1.803 -17.487 1.00 0.00 C +ATOM 5042 C MET B 288 50.972 2.872 -16.608 1.00 0.00 C +ATOM 5043 O MET B 288 51.688 3.805 -16.228 1.00 0.00 O +ATOM 5044 CB MET B 288 51.924 2.379 -18.878 1.00 0.00 C +ATOM 5045 CG MET B 288 52.800 3.642 -18.879 1.00 0.00 C +ATOM 5046 SD MET B 288 54.416 3.432 -18.078 1.00 0.00 S +ATOM 5047 CE MET B 288 55.527 3.771 -19.447 1.00 0.00 C +ATOM 5048 N THR B 289 49.692 2.767 -16.253 1.00 0.11 N +ATOM 5049 CA THR B 289 49.102 3.824 -15.419 1.00 0.11 C +ATOM 5050 C THR B 289 49.757 3.930 -14.039 1.00 0.11 C +ATOM 5051 O THR B 289 50.011 5.031 -13.567 1.00 0.11 O +ATOM 5052 CB THR B 289 47.604 3.627 -15.214 1.00 0.11 C +ATOM 5053 OG1 THR B 289 46.943 3.745 -16.472 1.00 0.11 O +ATOM 5054 CG2 THR B 289 47.059 4.670 -14.263 1.00 0.11 C +ATOM 5055 N ILE B 290 50.051 2.810 -13.398 1.00 0.12 N +ATOM 5056 CA ILE B 290 50.632 2.870 -12.065 1.00 0.12 C +ATOM 5057 C ILE B 290 52.011 3.511 -12.033 1.00 0.12 C +ATOM 5058 O ILE B 290 52.171 4.554 -11.395 1.00 0.12 O +ATOM 5059 CB ILE B 290 50.711 1.497 -11.445 1.00 0.12 C +ATOM 5060 CG1 ILE B 290 49.384 0.750 -11.653 1.00 0.12 C +ATOM 5061 CG2 ILE B 290 51.101 1.653 -9.987 1.00 0.12 C +ATOM 5062 CD1 ILE B 290 48.168 1.468 -11.149 1.00 0.12 C +ATOM 5063 N PRO B 291 53.031 2.891 -12.659 1.00 0.00 N +ATOM 5064 CA PRO B 291 54.341 3.545 -12.611 1.00 0.00 C +ATOM 5065 C PRO B 291 54.347 4.975 -13.166 1.00 0.00 C +ATOM 5066 O PRO B 291 55.236 5.752 -12.799 1.00 0.00 O +ATOM 5067 CB PRO B 291 55.239 2.590 -13.405 1.00 0.00 C +ATOM 5068 CG PRO B 291 54.307 1.999 -14.398 1.00 0.00 C +ATOM 5069 CD PRO B 291 53.081 1.716 -13.547 1.00 0.00 C +ATOM 5070 N ALA B 292 53.372 5.329 -14.016 1.00 1.31 N +ATOM 5071 CA ALA B 292 53.314 6.675 -14.602 1.00 1.31 C +ATOM 5072 C ALA B 292 52.758 7.692 -13.604 1.00 1.31 C +ATOM 5073 O ALA B 292 53.348 8.783 -13.428 1.00 1.31 O +ATOM 5074 CB ALA B 292 52.477 6.669 -15.888 1.00 1.31 C +ATOM 5075 N PHE B 293 51.651 7.360 -12.940 1.00 0.11 N +ATOM 5076 CA PHE B 293 51.077 8.288 -11.983 1.00 0.11 C +ATOM 5077 C PHE B 293 51.862 8.258 -10.706 1.00 0.11 C +ATOM 5078 O PHE B 293 51.844 9.235 -9.974 1.00 0.11 O +ATOM 5079 CB PHE B 293 49.604 7.978 -11.720 1.00 0.11 C +ATOM 5080 CG PHE B 293 48.654 8.642 -12.701 1.00 0.11 C +ATOM 5081 CD1 PHE B 293 48.544 8.200 -14.026 1.00 0.11 C +ATOM 5082 CD2 PHE B 293 47.869 9.726 -12.304 1.00 0.11 C +ATOM 5083 CE1 PHE B 293 47.656 8.836 -14.946 1.00 0.11 C +ATOM 5084 CE2 PHE B 293 46.982 10.369 -13.215 1.00 0.11 C +ATOM 5085 CZ PHE B 293 46.879 9.919 -14.534 1.00 0.11 C +ATOM 5086 N PHE B 294 52.561 7.159 -10.436 1.00 0.21 N +ATOM 5087 CA PHE B 294 53.366 7.079 -9.217 1.00 0.21 C +ATOM 5088 C PHE B 294 54.568 8.002 -9.314 1.00 0.21 C +ATOM 5089 O PHE B 294 54.963 8.594 -8.312 1.00 0.21 O +ATOM 5090 CB PHE B 294 53.866 5.662 -8.970 1.00 0.21 C +ATOM 5091 CG PHE B 294 54.930 5.583 -7.917 1.00 0.21 C +ATOM 5092 CD1 PHE B 294 54.641 5.901 -6.592 1.00 0.21 C +ATOM 5093 CD2 PHE B 294 56.234 5.228 -8.249 1.00 0.21 C +ATOM 5094 CE1 PHE B 294 55.639 5.866 -5.606 1.00 0.21 C +ATOM 5095 CE2 PHE B 294 57.237 5.191 -7.275 1.00 0.21 C +ATOM 5096 CZ PHE B 294 56.935 5.512 -5.948 1.00 0.21 C +ATOM 5097 N ALA B 295 55.145 8.114 -10.511 1.00 10.16 N +ATOM 5098 CA ALA B 295 56.318 8.958 -10.742 1.00 10.16 C +ATOM 5099 C ALA B 295 55.978 10.423 -10.581 1.00 10.16 C +ATOM 5100 O ALA B 295 56.878 11.205 -10.289 1.00 10.16 O +ATOM 5101 CB ALA B 295 56.878 8.707 -12.126 1.00 10.16 C +ATOM 5102 N LYS B 296 54.719 10.813 -10.754 1.00 0.00 N +ATOM 5103 CA LYS B 296 54.375 12.221 -10.602 1.00 0.00 C +ATOM 5104 C LYS B 296 54.634 12.691 -9.198 1.00 0.00 C +ATOM 5105 O LYS B 296 54.470 13.863 -8.947 1.00 0.00 O +ATOM 5106 CB LYS B 296 52.960 12.449 -10.936 1.00 0.00 C +ATOM 5107 CG LYS B 296 52.760 12.039 -12.360 1.00 0.00 C +ATOM 5108 CD LYS B 296 51.286 12.132 -12.720 1.00 0.00 C +ATOM 5109 CE LYS B 296 50.845 12.059 -14.181 1.00 0.00 C +ATOM 5110 NZ LYS B 296 51.767 12.006 -15.339 1.00 0.00 N +ATOM 5111 N THR B 297 54.989 11.801 -8.273 1.00 0.05 N +ATOM 5112 CA THR B 297 55.296 12.245 -6.913 1.00 0.05 C +ATOM 5113 C THR B 297 56.685 12.906 -6.920 1.00 0.05 C +ATOM 5114 O THR B 297 57.151 13.427 -5.895 1.00 0.05 O +ATOM 5115 CB THR B 297 55.287 11.078 -5.865 1.00 0.05 C +ATOM 5116 OG1 THR B 297 56.192 10.039 -6.267 1.00 0.05 O +ATOM 5117 CG2 THR B 297 53.902 10.521 -5.710 1.00 0.05 C +ATOM 5118 N SER B 298 57.341 12.886 -8.076 1.00 0.08 N +ATOM 5119 CA SER B 298 58.655 13.491 -8.218 1.00 0.08 C +ATOM 5120 C SER B 298 58.540 15.000 -8.044 1.00 0.08 C +ATOM 5121 O SER B 298 59.533 15.666 -7.786 1.00 0.08 O +ATOM 5122 CB SER B 298 59.219 13.167 -9.604 1.00 0.08 C +ATOM 5123 OG SER B 298 58.340 13.609 -10.622 1.00 0.08 O +ATOM 5124 N ALA B 299 57.331 15.529 -8.178 1.00 0.54 N +ATOM 5125 CA ALA B 299 57.115 16.957 -8.051 1.00 0.54 C +ATOM 5126 C ALA B 299 57.040 17.378 -6.597 1.00 0.54 C +ATOM 5127 O ALA B 299 56.852 18.568 -6.322 1.00 0.54 O +ATOM 5128 CB ALA B 299 55.844 17.351 -8.775 1.00 0.54 C +ATOM 5129 N VAL B 300 57.244 16.452 -5.652 1.00 0.01 N +ATOM 5130 CA VAL B 300 57.155 16.857 -4.245 1.00 0.01 C +ATOM 5131 C VAL B 300 58.119 16.164 -3.282 1.00 0.01 C +ATOM 5132 O VAL B 300 58.427 16.745 -2.268 1.00 0.01 O +ATOM 5133 CB VAL B 300 55.700 16.672 -3.670 1.00 0.01 C +ATOM 5134 CG1 VAL B 300 54.656 17.301 -4.593 1.00 0.01 C +ATOM 5135 CG2 VAL B 300 55.390 15.204 -3.482 1.00 0.01 C +ATOM 5136 N TYR B 301 58.620 14.975 -3.564 1.00 0.00 N +ATOM 5137 CA TYR B 301 59.458 14.312 -2.561 1.00 0.00 C +ATOM 5138 C TYR B 301 60.766 15.009 -2.288 1.00 0.00 C +ATOM 5139 O TYR B 301 61.314 14.836 -1.207 1.00 0.00 O +ATOM 5140 CB TYR B 301 59.737 12.861 -2.958 1.00 0.00 C +ATOM 5141 CG TYR B 301 60.718 12.707 -4.098 1.00 0.00 C +ATOM 5142 CD1 TYR B 301 62.091 12.841 -3.886 1.00 0.00 C +ATOM 5143 CD2 TYR B 301 60.277 12.440 -5.399 1.00 0.00 C +ATOM 5144 CE1 TYR B 301 63.000 12.715 -4.945 1.00 0.00 C +ATOM 5145 CE2 TYR B 301 61.178 12.312 -6.454 1.00 0.00 C +ATOM 5146 CZ TYR B 301 62.532 12.453 -6.215 1.00 0.00 C +ATOM 5147 OH TYR B 301 63.416 12.341 -7.250 1.00 0.00 O +ATOM 5148 N ASN B 302 61.282 15.778 -3.242 1.00 0.00 N +ATOM 5149 CA ASN B 302 62.566 16.447 -3.043 1.00 0.00 C +ATOM 5150 C ASN B 302 62.522 17.399 -1.884 1.00 0.00 C +ATOM 5151 O ASN B 302 63.348 17.276 -0.977 1.00 0.00 O +ATOM 5152 CB ASN B 302 62.995 17.181 -4.308 1.00 0.00 C +ATOM 5153 CG ASN B 302 63.734 16.293 -5.245 1.00 0.00 C +ATOM 5154 OD1 ASN B 302 63.461 16.257 -6.439 1.00 0.00 O +ATOM 5155 ND2 ASN B 302 64.687 15.557 -4.707 1.00 0.00 N +ATOM 5156 N PRO B 303 61.578 18.366 -1.890 1.00 0.00 N +ATOM 5157 CA PRO B 303 61.505 19.309 -0.783 1.00 0.00 C +ATOM 5158 C PRO B 303 61.397 18.607 0.558 1.00 0.00 C +ATOM 5159 O PRO B 303 61.846 19.136 1.563 1.00 0.00 O +ATOM 5160 CB PRO B 303 60.263 20.132 -1.123 1.00 0.00 C +ATOM 5161 CG PRO B 303 60.271 20.162 -2.593 1.00 0.00 C +ATOM 5162 CD PRO B 303 60.583 18.718 -2.923 1.00 0.00 C +ATOM 5163 N VAL B 304 60.826 17.412 0.585 1.00 0.68 N +ATOM 5164 CA VAL B 304 60.687 16.712 1.853 1.00 0.68 C +ATOM 5165 C VAL B 304 62.027 16.170 2.353 1.00 0.68 C +ATOM 5166 O VAL B 304 62.319 16.256 3.552 1.00 0.68 O +ATOM 5167 CB VAL B 304 59.691 15.562 1.734 1.00 0.68 C +ATOM 5168 CG1 VAL B 304 59.421 14.994 3.119 1.00 0.68 C +ATOM 5169 CG2 VAL B 304 58.404 16.055 1.067 1.00 0.68 C +ATOM 5170 N ILE B 305 62.828 15.603 1.454 1.00 0.00 N +ATOM 5171 CA ILE B 305 64.127 15.072 1.850 1.00 0.00 C +ATOM 5172 C ILE B 305 64.869 16.204 2.508 1.00 0.00 C +ATOM 5173 O ILE B 305 65.346 16.082 3.623 1.00 0.00 O +ATOM 5174 CB ILE B 305 64.968 14.587 0.624 1.00 0.00 C +ATOM 5175 CG1 ILE B 305 64.174 13.594 -0.218 1.00 0.00 C +ATOM 5176 CG2 ILE B 305 66.246 13.901 1.109 1.00 0.00 C +ATOM 5177 CD1 ILE B 305 64.976 12.990 -1.332 1.00 0.00 C +ATOM 5178 N TYR B 306 64.919 17.313 1.788 1.00 0.00 N +ATOM 5179 CA TYR B 306 65.589 18.539 2.176 1.00 0.00 C +ATOM 5180 C TYR B 306 65.266 18.971 3.595 1.00 0.00 C +ATOM 5181 O TYR B 306 66.181 19.157 4.381 1.00 0.00 O +ATOM 5182 CB TYR B 306 65.165 19.613 1.186 1.00 0.00 C +ATOM 5183 CG TYR B 306 66.047 20.831 1.085 1.00 0.00 C +ATOM 5184 CD1 TYR B 306 67.391 20.800 1.468 1.00 0.00 C +ATOM 5185 CD2 TYR B 306 65.559 21.986 0.474 1.00 0.00 C +ATOM 5186 CE1 TYR B 306 68.220 21.891 1.223 1.00 0.00 C +ATOM 5187 CE2 TYR B 306 66.370 23.070 0.226 1.00 0.00 C +ATOM 5188 CZ TYR B 306 67.696 23.024 0.593 1.00 0.00 C +ATOM 5189 OH TYR B 306 68.482 24.108 0.278 1.00 0.00 O +ATOM 5190 N ILE B 307 63.987 19.150 3.914 1.00 0.12 N +ATOM 5191 CA ILE B 307 63.565 19.583 5.251 1.00 0.12 C +ATOM 5192 C ILE B 307 63.977 18.582 6.302 1.00 0.12 C +ATOM 5193 O ILE B 307 64.398 18.955 7.397 1.00 0.12 O +ATOM 5194 CB ILE B 307 62.049 19.713 5.339 1.00 0.12 C +ATOM 5195 CG1 ILE B 307 61.582 20.922 4.538 1.00 0.12 C +ATOM 5196 CG2 ILE B 307 61.626 19.807 6.787 1.00 0.12 C +ATOM 5197 CD1 ILE B 307 60.095 20.954 4.338 1.00 0.12 C +ATOM 5198 N MET B 308 63.831 17.308 5.978 1.00 0.07 N +ATOM 5199 CA MET B 308 64.171 16.253 6.901 1.00 0.07 C +ATOM 5200 C MET B 308 65.672 16.053 6.993 1.00 0.07 C +ATOM 5201 O MET B 308 66.165 15.728 8.072 1.00 0.07 O +ATOM 5202 CB MET B 308 63.507 14.966 6.438 1.00 0.07 C +ATOM 5203 CG MET B 308 62.002 15.035 6.395 1.00 0.07 C +ATOM 5204 SD MET B 308 61.289 13.937 7.630 1.00 0.07 S +ATOM 5205 CE MET B 308 60.806 12.465 6.629 1.00 0.07 C +ATOM 5206 N MET B 309 66.394 16.278 5.892 1.00 0.52 N +ATOM 5207 CA MET B 309 67.840 16.034 5.839 1.00 0.52 C +ATOM 5208 C MET B 309 68.722 17.247 5.813 1.00 0.52 C +ATOM 5209 O MET B 309 69.871 17.095 5.430 1.00 0.52 O +ATOM 5210 CB MET B 309 68.205 15.197 4.615 1.00 0.52 C +ATOM 5211 CG MET B 309 67.666 13.807 4.634 1.00 0.52 C +ATOM 5212 SD MET B 309 68.635 12.723 3.598 1.00 0.52 S +ATOM 5213 CE MET B 309 69.626 11.882 4.804 1.00 0.52 C +ATOM 5214 N ASN B 310 68.263 18.428 6.185 1.00 0.00 N +ATOM 5215 CA ASN B 310 69.196 19.549 6.140 1.00 0.00 C +ATOM 5216 C ASN B 310 68.854 20.583 7.196 1.00 0.00 C +ATOM 5217 O ASN B 310 68.140 21.553 6.933 1.00 0.00 O +ATOM 5218 CB ASN B 310 69.222 20.152 4.736 1.00 0.00 C +ATOM 5219 CG ASN B 310 70.485 20.940 4.470 1.00 0.00 C +ATOM 5220 OD1 ASN B 310 70.506 22.151 4.636 1.00 0.00 O +ATOM 5221 ND2 ASN B 310 71.553 20.249 4.069 1.00 0.00 N +ATOM 5222 N LYS B 311 69.390 20.355 8.394 1.00 0.15 N +ATOM 5223 CA LYS B 311 69.172 21.204 9.564 1.00 0.15 C +ATOM 5224 C LYS B 311 69.198 22.667 9.206 1.00 0.15 C +ATOM 5225 O LYS B 311 68.293 23.408 9.547 1.00 0.15 O +ATOM 5226 CB LYS B 311 70.249 20.902 10.616 1.00 0.15 C +ATOM 5227 CG LYS B 311 70.218 21.773 11.880 1.00 0.15 C +ATOM 5228 CD LYS B 311 69.805 20.976 13.125 1.00 0.15 C +ATOM 5229 CE LYS B 311 70.414 21.556 14.420 1.00 0.15 C +ATOM 5230 NZ LYS B 311 71.895 21.296 14.581 1.00 0.15 N +ATOM 5231 N GLN B 312 70.242 23.081 8.514 1.00 0.00 N +ATOM 5232 CA GLN B 312 70.381 24.472 8.147 1.00 0.00 C +ATOM 5233 C GLN B 312 69.137 24.986 7.494 1.00 0.00 C +ATOM 5234 O GLN B 312 68.585 25.981 7.943 1.00 0.00 O +ATOM 5235 CB GLN B 312 71.581 24.652 7.221 1.00 0.00 C +ATOM 5236 CG GLN B 312 71.709 26.057 6.666 1.00 0.00 C +ATOM 5237 CD GLN B 312 72.992 26.251 5.885 1.00 0.00 C +ATOM 5238 OE1 GLN B 312 73.177 27.267 5.197 1.00 0.00 O +ATOM 5239 NE2 GLN B 312 73.896 25.275 5.988 1.00 0.00 N +ATOM 5240 N PHE B 313 68.698 24.310 6.439 1.00 0.00 N +ATOM 5241 CA PHE B 313 67.509 24.713 5.707 1.00 0.00 C +ATOM 5242 C PHE B 313 66.279 24.628 6.586 1.00 0.00 C +ATOM 5243 O PHE B 313 65.448 25.541 6.586 1.00 0.00 O +ATOM 5244 CB PHE B 313 67.295 23.822 4.489 1.00 0.00 C +ATOM 5245 CG PHE B 313 66.069 24.183 3.703 1.00 0.00 C +ATOM 5246 CD1 PHE B 313 65.991 25.403 3.032 1.00 0.00 C +ATOM 5247 CD2 PHE B 313 64.973 23.333 3.668 1.00 0.00 C +ATOM 5248 CE1 PHE B 313 64.845 25.773 2.339 1.00 0.00 C +ATOM 5249 CE2 PHE B 313 63.819 23.699 2.975 1.00 0.00 C +ATOM 5250 CZ PHE B 313 63.760 24.922 2.311 1.00 0.00 C +ATOM 5251 N ARG B 314 66.158 23.525 7.315 1.00 0.04 N +ATOM 5252 CA ARG B 314 65.025 23.296 8.202 1.00 0.04 C +ATOM 5253 C ARG B 314 64.836 24.489 9.147 1.00 0.04 C +ATOM 5254 O ARG B 314 63.777 25.115 9.129 1.00 0.04 O +ATOM 5255 CB ARG B 314 65.265 22.008 9.006 1.00 0.04 C +ATOM 5256 CG ARG B 314 64.032 21.395 9.683 1.00 0.04 C +ATOM 5257 CD ARG B 314 64.452 20.311 10.675 1.00 0.04 C +ATOM 5258 NE ARG B 314 65.364 19.336 10.086 1.00 0.04 N +ATOM 5259 CZ ARG B 314 66.449 18.869 10.694 1.00 0.04 C +ATOM 5260 NH1 ARG B 314 66.766 19.290 11.909 1.00 0.04 N +ATOM 5261 NH2 ARG B 314 67.211 17.966 10.091 1.00 0.04 N +ATOM 5262 N ASN B 315 65.861 24.803 9.947 1.00 0.01 N +ATOM 5263 CA ASN B 315 65.821 25.894 10.938 1.00 0.01 C +ATOM 5264 C ASN B 315 65.600 27.244 10.296 1.00 0.01 C +ATOM 5265 O ASN B 315 64.863 28.077 10.830 1.00 0.01 O +ATOM 5266 CB ASN B 315 67.129 25.909 11.757 1.00 0.01 C +ATOM 5267 CG ASN B 315 67.194 24.772 12.786 1.00 0.01 C +ATOM 5268 OD1 ASN B 315 68.264 24.398 13.252 1.00 0.01 O +ATOM 5269 ND2 ASN B 315 66.034 24.234 13.150 1.00 0.01 N +ATOM 5270 N CYS B 316 66.226 27.467 9.153 1.00 0.00 N +ATOM 5271 CA CYS B 316 66.100 28.736 8.476 1.00 0.00 C +ATOM 5272 C CYS B 316 64.691 28.888 7.887 1.00 0.00 C +ATOM 5273 O CYS B 316 64.210 29.994 7.724 1.00 0.00 O +ATOM 5274 CB CYS B 316 67.257 28.844 7.465 1.00 0.00 C +ATOM 5275 SG CYS B 316 68.883 28.708 8.393 1.00 0.00 S +ATOM 5276 N MET B 317 64.008 27.773 7.643 1.00 5.82 N +ATOM 5277 CA MET B 317 62.636 27.788 7.110 1.00 5.82 C +ATOM 5278 C MET B 317 61.601 28.123 8.201 1.00 5.82 C +ATOM 5279 O MET B 317 60.690 28.921 7.969 1.00 5.82 O +ATOM 5280 CB MET B 317 62.294 26.426 6.508 1.00 5.82 C +ATOM 5281 CG MET B 317 60.799 26.114 6.517 1.00 5.82 C +ATOM 5282 SD MET B 317 60.402 24.473 5.861 1.00 5.82 S +ATOM 5283 CE MET B 317 60.324 23.427 7.377 1.00 5.82 C +ATOM 5284 N VAL B 318 61.721 27.488 9.365 1.00 0.14 N +ATOM 5285 CA VAL B 318 60.814 27.735 10.479 1.00 0.14 C +ATOM 5286 C VAL B 318 60.974 29.174 10.930 1.00 0.14 C +ATOM 5287 O VAL B 318 60.058 29.749 11.517 1.00 0.14 O +ATOM 5288 CB VAL B 318 61.110 26.786 11.653 1.00 0.14 C +ATOM 5289 CG1 VAL B 318 62.577 26.814 11.980 1.00 0.14 C +ATOM 5290 CG2 VAL B 318 60.292 27.190 12.866 1.00 0.14 C +ATOM 5291 N THR B 319 62.141 29.749 10.663 1.00 0.06 N +ATOM 5292 CA THR B 319 62.377 31.134 11.010 1.00 0.06 C +ATOM 5293 C THR B 319 61.478 31.958 10.110 1.00 0.06 C +ATOM 5294 O THR B 319 60.972 32.993 10.532 1.00 0.06 O +ATOM 5295 CB THR B 319 63.841 31.526 10.763 1.00 0.06 C +ATOM 5296 OG1 THR B 319 64.710 30.614 11.444 1.00 0.06 O +ATOM 5297 CG2 THR B 319 64.100 32.901 11.288 1.00 0.06 C +ATOM 5298 N THR B 320 61.275 31.487 8.880 1.00 0.67 N +ATOM 5299 CA THR B 320 60.416 32.168 7.909 1.00 0.67 C +ATOM 5300 C THR B 320 58.959 31.951 8.271 1.00 0.67 C +ATOM 5301 O THR B 320 58.130 32.823 8.049 1.00 0.67 O +ATOM 5302 CB THR B 320 60.649 31.639 6.477 1.00 0.67 C +ATOM 5303 OG1 THR B 320 61.975 31.963 6.060 1.00 0.67 O +ATOM 5304 CG2 THR B 320 59.670 32.259 5.500 1.00 0.67 C +ATOM 5305 N LEU B 321 58.650 30.793 8.837 1.00 0.02 N +ATOM 5306 CA LEU B 321 57.280 30.480 9.209 1.00 0.02 C +ATOM 5307 C LEU B 321 56.871 31.172 10.493 1.00 0.02 C +ATOM 5308 O LEU B 321 55.675 31.413 10.690 1.00 0.02 O +ATOM 5309 CB LEU B 321 57.097 28.973 9.368 1.00 0.02 C +ATOM 5310 CG LEU B 321 57.230 28.102 8.121 1.00 0.02 C +ATOM 5311 CD1 LEU B 321 57.180 26.666 8.576 1.00 0.02 C +ATOM 5312 CD2 LEU B 321 56.121 28.385 7.107 1.00 0.02 C +ATOM 5313 N CYS B 322 57.819 31.478 11.374 1.00 0.04 N +ATOM 5314 CA CYS B 322 57.446 32.148 12.611 1.00 0.04 C +ATOM 5315 C CYS B 322 57.412 33.597 12.349 1.00 0.04 C +ATOM 5316 O CYS B 322 57.657 34.404 13.244 1.00 0.04 O +ATOM 5317 CB CYS B 322 58.339 31.785 13.775 1.00 0.04 C +ATOM 5318 SG CYS B 322 58.097 30.038 14.099 1.00 0.04 S +ATOM 5319 N CYS B 323 57.050 33.904 11.103 1.00 9.17 N +ATOM 5320 CA CYS B 323 56.937 35.263 10.612 1.00 9.17 C +ATOM 5321 C CYS B 323 58.202 35.981 10.970 1.00 9.17 C +ATOM 5322 O CYS B 323 59.131 36.063 10.150 1.00 9.17 O +ATOM 5323 CB CYS B 323 55.720 35.937 11.230 1.00 9.17 C +ATOM 5324 SG CYS B 323 54.165 35.110 10.801 1.00 9.17 S +ATOM 5325 N GLY B 324 58.254 36.487 12.196 1.00 0.12 N +ATOM 5326 CA GLY B 324 59.443 37.175 12.650 1.00 0.12 C +ATOM 5327 C GLY B 324 60.564 36.174 12.846 1.00 0.12 C +ATOM 5328 O GLY B 324 60.903 35.409 11.935 1.00 0.12 O +ATOM 5329 N LYS B 325 61.133 36.174 14.047 1.00 0.68 N +ATOM 5330 CA LYS B 325 62.228 35.276 14.373 1.00 0.68 C +ATOM 5331 C LYS B 325 61.691 34.058 15.109 1.00 0.68 C +ATOM 5332 O LYS B 325 60.999 33.235 14.500 1.00 0.68 O +ATOM 5333 CB LYS B 325 63.294 36.014 15.217 1.00 0.68 C +ATOM 5334 CG LYS B 325 63.855 37.302 14.565 1.00 0.68 C +ATOM 5335 CD LYS B 325 64.864 38.022 15.466 1.00 0.68 C +ATOM 5336 CE LYS B 325 65.220 39.421 14.944 1.00 0.68 C +ATOM 5337 NZ LYS B 325 64.131 40.434 15.114 1.00 0.68 N +ATOM 5338 N ASN B 326 61.975 33.960 16.408 1.00 3.64 N +ATOM 5339 CA ASN B 326 61.556 32.810 17.208 1.00 3.64 C +ATOM 5340 C ASN B 326 62.295 31.602 16.659 1.00 3.64 C +ATOM 5341 O ASN B 326 61.662 30.633 16.215 1.00 3.64 O +ATOM 5342 CB ASN B 326 60.036 32.585 17.108 1.00 3.64 C +ATOM 5343 CG ASN B 326 59.267 33.185 18.280 1.00 3.64 C +ATOM 5344 OD1 ASN B 326 59.471 32.812 19.444 1.00 3.64 O +ATOM 5345 ND2 ASN B 326 58.370 34.115 17.972 1.00 3.64 N +ATOM 5346 N PRO B 327 63.645 31.640 16.673 1.00 0.00 N +ATOM 5347 CA PRO B 327 64.402 30.500 16.146 1.00 0.00 C +ATOM 5348 C PRO B 327 64.134 29.241 16.943 1.00 0.00 C +ATOM 5349 O PRO B 327 64.235 28.138 16.393 1.00 0.00 O +ATOM 5350 CB PRO B 327 65.854 30.970 16.259 1.00 0.00 C +ATOM 5351 CG PRO B 327 65.829 31.795 17.528 1.00 0.00 C +ATOM 5352 CD PRO B 327 64.541 32.598 17.361 1.00 0.00 C +ATOM 5353 N LEU B 328 63.763 29.423 18.215 1.00 0.00 N +ATOM 5354 CA LEU B 328 63.507 28.330 19.152 1.00 0.00 C +ATOM 5355 C LEU B 328 64.433 27.185 18.826 1.00 0.00 C +ATOM 5356 O LEU B 328 65.599 27.451 18.531 1.00 0.00 O +ATOM 5357 CB LEU B 328 62.034 27.889 19.121 1.00 0.00 C +ATOM 5358 CG LEU B 328 60.989 28.806 19.783 1.00 0.00 C +ATOM 5359 CD1 LEU B 328 61.462 29.272 21.151 1.00 0.00 C +ATOM 5360 CD2 LEU B 328 60.737 30.000 18.898 1.00 0.00 C +ATOM 5361 N GLY B 329 63.948 25.945 18.866 1.00 0.02 N +ATOM 5362 CA GLY B 329 64.814 24.811 18.568 1.00 0.02 C +ATOM 5363 C GLY B 329 66.243 25.039 19.062 1.00 0.02 C +ATOM 5364 O GLY B 329 66.451 25.466 20.209 1.00 0.02 O +ATOM 5365 N ASP B 330 67.229 24.763 18.205 1.00 0.04 N +ATOM 5366 CA ASP B 330 68.635 24.966 18.566 1.00 0.04 C +ATOM 5367 C ASP B 330 69.370 25.610 17.407 1.00 0.04 C +ATOM 5368 O ASP B 330 70.510 25.219 17.096 1.00 0.04 O +ATOM 5369 CB ASP B 330 69.300 23.639 18.942 1.00 0.04 C +ATOM 5370 CG ASP B 330 69.872 23.668 20.337 1.00 0.04 C +ATOM 5371 OD1 ASP B 330 70.649 24.599 20.629 1.00 0.04 O +ATOM 5372 OD2 ASP B 330 69.542 22.773 21.139 1.00 0.04 O +ATOM 5373 N ASP B 331 68.718 26.608 16.801 1.00 0.09 N +ATOM 5374 CA ASP B 331 69.228 27.342 15.643 1.00 0.09 C +ATOM 5375 C ASP B 331 69.917 26.396 14.706 1.00 0.09 C +ATOM 5376 O ASP B 331 69.887 25.175 14.920 1.00 0.09 O +ATOM 5377 CB ASP B 331 70.195 28.462 16.050 1.00 0.09 C +ATOM 5378 CG ASP B 331 69.475 29.725 16.486 1.00 0.09 C +ATOM 5379 OD1 ASP B 331 70.055 30.821 16.323 1.00 0.09 O +ATOM 5380 OD2 ASP B 331 68.339 29.624 16.998 1.00 0.09 O +ATOM 5381 N GLU B 332 70.527 26.935 13.659 1.00 0.00 N +ATOM 5382 CA GLU B 332 71.225 26.086 12.713 1.00 0.00 C +ATOM 5383 C GLU B 332 72.508 25.564 13.389 1.00 0.00 C +ATOM 5384 O GLU B 332 73.102 24.582 12.921 1.00 0.00 O +ATOM 5385 CB GLU B 332 71.538 26.897 11.456 1.00 0.00 C +ATOM 5386 CG GLU B 332 71.788 26.089 10.191 1.00 0.00 C +ATOM 5387 CD GLU B 332 73.021 25.168 10.246 1.00 0.00 C +ATOM 5388 OE1 GLU B 332 72.907 24.016 10.728 1.00 0.00 O +ATOM 5389 OE2 GLU B 332 74.110 25.595 9.798 1.00 0.00 O +ATOM 5390 N ALA B 333 72.890 26.191 14.508 1.00 0.23 N +ATOM 5391 CA ALA B 333 74.108 25.842 15.265 1.00 0.23 C +ATOM 5392 C ALA B 333 75.293 26.536 14.582 1.00 0.23 C +ATOM 5393 O ALA B 333 76.024 27.316 15.226 1.00 0.23 O +ATOM 5394 CB ALA B 333 74.317 24.302 15.307 1.00 0.23 C +ATOM 5395 N SER B 334 75.467 26.243 13.289 1.00 0.08 N +ATOM 5396 CA SER B 334 76.503 26.857 12.449 1.00 0.08 C +ATOM 5397 C SER B 334 75.882 28.160 11.934 1.00 0.08 C +ATOM 5398 O SER B 334 75.355 28.941 12.743 1.00 0.08 O +ATOM 5399 CB SER B 334 76.856 25.945 11.248 1.00 0.08 C +ATOM 5400 OG SER B 334 77.244 24.636 11.644 1.00 0.08 O +ATOM 5401 N THR B 335 75.917 28.384 10.620 1.00 0.40 N +ATOM 5402 CA THR B 335 75.321 29.582 10.017 1.00 0.40 C +ATOM 5403 C THR B 335 73.778 29.496 10.162 1.00 0.40 C +ATOM 5404 O THR B 335 73.266 28.406 10.348 1.00 0.40 O +ATOM 5405 CB THR B 335 75.755 29.695 8.519 1.00 0.40 C +ATOM 5406 OG1 THR B 335 75.520 28.445 7.849 1.00 0.40 O +ATOM 5407 CG2 THR B 335 77.252 30.037 8.418 1.00 0.40 C +ATOM 5408 N THR B 336 73.051 30.615 10.106 1.00 0.06 N +ATOM 5409 CA THR B 336 71.582 30.577 10.254 1.00 0.06 C +ATOM 5410 C THR B 336 70.893 31.513 9.260 1.00 0.06 C +ATOM 5411 O THR B 336 70.058 31.073 8.469 1.00 0.06 O +ATOM 5412 CB THR B 336 71.136 30.982 11.692 1.00 0.06 C +ATOM 5413 OG1 THR B 336 71.872 32.142 12.122 1.00 0.06 O +ATOM 5414 CG2 THR B 336 71.350 29.829 12.672 1.00 0.06 C +ATOM 5415 N VAL B 337 71.252 32.794 9.333 1.00 2.06 N +ATOM 5416 CA VAL B 337 70.749 33.903 8.498 1.00 2.06 C +ATOM 5417 C VAL B 337 69.338 33.796 7.944 1.00 2.06 C +ATOM 5418 O VAL B 337 68.621 32.818 8.130 1.00 2.06 O +ATOM 5419 CB VAL B 337 71.726 34.249 7.318 1.00 2.06 C +ATOM 5420 CG1 VAL B 337 73.066 33.536 7.519 1.00 2.06 C +ATOM 5421 CG2 VAL B 337 71.068 33.959 5.967 1.00 2.06 C +ATOM 5422 N SER B 338 68.961 34.874 7.268 1.00 0.00 N +ATOM 5423 CA SER B 338 67.666 35.014 6.646 1.00 0.00 C +ATOM 5424 C SER B 338 67.726 36.215 5.722 1.00 0.00 C +ATOM 5425 O SER B 338 68.804 36.491 5.176 1.00 0.00 O +ATOM 5426 CB SER B 338 66.604 35.205 7.718 1.00 0.00 C +ATOM 5427 OG SER B 338 66.739 34.205 8.719 1.00 0.00 O +ATOM 5428 N LYS B 339 66.608 36.924 5.541 1.00 0.01 N +ATOM 5429 CA LYS B 339 66.584 38.096 4.654 1.00 0.01 C +ATOM 5430 C LYS B 339 67.296 39.266 5.344 1.00 0.01 C +ATOM 5431 O LYS B 339 68.060 39.996 4.682 1.00 0.01 O +ATOM 5432 CB LYS B 339 65.125 38.472 4.287 1.00 0.01 C +ATOM 5433 CG LYS B 339 64.962 39.388 3.043 1.00 0.01 C +ATOM 5434 CD LYS B 339 64.392 38.663 1.799 1.00 0.01 C +ATOM 5435 CE LYS B 339 62.873 38.420 1.890 1.00 0.01 C +ATOM 5436 NZ LYS B 339 62.293 37.667 0.725 1.00 0.01 N +ATOM 5437 N THR B 340 67.065 39.428 6.653 1.00 0.10 N +ATOM 5438 CA THR B 340 67.685 40.507 7.442 1.00 0.10 C +ATOM 5439 C THR B 340 67.996 40.053 8.884 1.00 0.10 C +ATOM 5440 O THR B 340 69.133 40.231 9.335 1.00 0.10 O +ATOM 5441 CB THR B 340 66.775 41.799 7.490 1.00 0.10 C +ATOM 5442 OG1 THR B 340 67.490 42.879 8.116 1.00 0.10 O +ATOM 5443 CG2 THR B 340 65.476 41.535 8.266 1.00 0.10 C +ATOM 5444 N GLU B 341 67.008 39.479 9.578 1.00 0.06 N +ATOM 5445 CA GLU B 341 67.127 39.009 10.975 1.00 0.06 C +ATOM 5446 C GLU B 341 68.529 38.489 11.344 1.00 0.06 C +ATOM 5447 O GLU B 341 69.280 39.211 12.023 1.00 0.06 O +ATOM 5448 CB GLU B 341 66.090 37.915 11.238 1.00 0.06 C +ATOM 5449 CG GLU B 341 65.981 36.962 10.076 1.00 0.06 C +ATOM 5450 CD GLU B 341 65.442 35.611 10.454 1.00 0.06 C +ATOM 5451 OE1 GLU B 341 66.087 34.908 11.274 1.00 0.06 O +ATOM 5452 OE2 GLU B 341 64.376 35.254 9.906 1.00 0.06 O +ATOM 5453 N THR B 342 68.866 37.258 10.940 1.00 0.04 N +ATOM 5454 CA THR B 342 70.179 36.663 11.242 1.00 0.04 C +ATOM 5455 C THR B 342 71.041 36.525 9.954 1.00 0.04 C +ATOM 5456 O THR B 342 71.994 35.727 9.940 1.00 0.04 O +ATOM 5457 CB THR B 342 70.004 35.264 11.995 1.00 0.04 C +ATOM 5458 OG1 THR B 342 71.284 34.635 12.188 1.00 0.04 O +ATOM 5459 CG2 THR B 342 69.054 34.328 11.229 1.00 0.04 C +ATOM 5460 N SER B 343 70.728 37.335 8.925 1.00 0.00 N +ATOM 5461 CA SER B 343 71.399 37.366 7.597 1.00 0.00 C +ATOM 5462 C SER B 343 72.875 37.834 7.636 1.00 0.00 C +ATOM 5463 O SER B 343 73.587 37.723 6.613 1.00 0.00 O +ATOM 5464 CB SER B 343 70.608 38.273 6.637 1.00 0.00 C +ATOM 5465 OG SER B 343 71.261 38.418 5.383 1.00 0.00 O +ATOM 5466 N GLN B 344 73.312 38.357 8.782 1.00 0.00 N +ATOM 5467 CA GLN B 344 74.681 38.834 8.999 1.00 0.00 C +ATOM 5468 C GLN B 344 75.703 37.781 8.547 1.00 0.00 C +ATOM 5469 O GLN B 344 75.746 36.673 9.103 1.00 0.00 O +ATOM 5470 CB GLN B 344 74.858 39.144 10.492 1.00 0.00 C +ATOM 5471 CG GLN B 344 74.414 37.984 11.396 1.00 0.00 C +ATOM 5472 CD GLN B 344 73.902 38.426 12.769 1.00 0.00 C +ATOM 5473 OE1 GLN B 344 73.117 39.378 12.878 1.00 0.00 O +ATOM 5474 NE2 GLN B 344 74.324 37.715 13.822 1.00 0.00 N +ATOM 5475 N VAL B 345 76.519 38.125 7.549 1.00 0.00 N +ATOM 5476 CA VAL B 345 77.530 37.200 7.038 1.00 0.00 C +ATOM 5477 C VAL B 345 78.789 37.208 7.933 1.00 0.00 C +ATOM 5478 O VAL B 345 79.221 38.257 8.430 1.00 0.00 O +ATOM 5479 CB VAL B 345 77.918 37.526 5.532 1.00 0.00 C +ATOM 5480 CG1 VAL B 345 76.649 37.665 4.683 1.00 0.00 C +ATOM 5481 CG2 VAL B 345 78.771 38.794 5.439 1.00 0.00 C +ATOM 5482 N ALA B 346 79.343 36.023 8.164 1.00 0.01 N +ATOM 5483 CA ALA B 346 80.555 35.865 8.961 1.00 0.01 C +ATOM 5484 C ALA B 346 81.415 34.785 8.288 1.00 0.01 C +ATOM 5485 O ALA B 346 81.740 33.772 8.921 1.00 0.01 O +ATOM 5486 CB ALA B 346 80.190 35.460 10.390 1.00 0.01 C +ATOM 5487 N PRO B 347 81.772 34.983 6.993 1.00 0.02 N +ATOM 5488 CA PRO B 347 82.581 34.109 6.122 1.00 0.02 C +ATOM 5489 C PRO B 347 84.106 33.958 6.347 1.00 0.02 C +ATOM 5490 O PRO B 347 84.549 32.981 6.969 1.00 0.02 O +ATOM 5491 CB PRO B 347 82.291 34.670 4.728 1.00 0.02 C +ATOM 5492 CG PRO B 347 80.942 35.292 4.855 1.00 0.02 C +ATOM 5493 CD PRO B 347 81.111 36.012 6.162 1.00 0.02 C +ATOM 5494 N ALA B 348 84.888 34.907 5.818 1.00 0.00 N +ATOM 5495 CA ALA B 348 86.354 34.868 5.906 1.00 0.00 C +ATOM 5496 C ALA B 348 87.006 36.271 6.000 1.00 0.00 C +ATOM 5497 O ALA B 348 87.560 36.762 4.981 1.00 0.00 O +ATOM 5498 CB ALA B 348 86.912 34.103 4.692 1.00 0.00 C +ATOM 5499 OXT ALA B 348 86.976 36.871 7.100 1.00 0.00 O +TER 5500 ALA B 348 +HETATM 5501 C1 NAG C 1 60.022 3.630 36.341 1.00 0.01 C +HETATM 5502 C2 NAG C 1 59.172 4.836 36.710 1.00 0.01 C +HETATM 5503 C3 NAG C 1 60.075 6.036 37.005 1.00 0.01 C +HETATM 5504 C4 NAG C 1 61.062 5.669 38.115 1.00 0.01 C +HETATM 5505 C5 NAG C 1 61.831 4.387 37.736 1.00 0.01 C +HETATM 5506 C6 NAG C 1 62.629 3.885 38.903 1.00 0.01 C +HETATM 5507 C7 NAG C 1 57.083 5.681 35.853 1.00 0.01 C +HETATM 5508 C8 NAG C 1 56.137 4.966 36.811 1.00 0.01 C +HETATM 5509 N2 NAG C 1 58.269 5.130 35.619 1.00 0.01 N +HETATM 5510 O3 NAG C 1 59.286 7.146 37.406 1.00 0.01 O +HETATM 5511 O4 NAG C 1 61.986 6.756 38.324 1.00 0.01 O +HETATM 5512 O5 NAG C 1 60.918 3.312 37.408 1.00 0.01 O +HETATM 5513 O6 NAG C 1 61.760 3.429 39.935 1.00 0.01 O +HETATM 5514 O7 NAG C 1 56.725 6.716 35.309 1.00 0.01 O +HETATM 5515 C1 NAG C 2 61.664 7.711 39.289 1.00 0.34 C +HETATM 5516 C2 NAG C 2 62.925 8.088 40.054 1.00 0.34 C +HETATM 5517 C3 NAG C 2 62.651 9.208 41.043 1.00 0.34 C +HETATM 5518 C4 NAG C 2 61.993 10.418 40.372 1.00 0.34 C +HETATM 5519 C5 NAG C 2 60.768 9.930 39.556 1.00 0.34 C +HETATM 5520 C6 NAG C 2 60.094 11.021 38.744 1.00 0.34 C +HETATM 5521 C7 NAG C 2 64.424 6.213 40.301 1.00 0.34 C +HETATM 5522 C8 NAG C 2 65.166 6.678 39.045 1.00 0.34 C +HETATM 5523 N2 NAG C 2 63.415 6.937 40.775 1.00 0.34 N +HETATM 5524 O3 NAG C 2 63.872 9.607 41.641 1.00 0.34 O +HETATM 5525 O4 NAG C 2 61.560 11.336 41.415 1.00 0.34 O +HETATM 5526 O5 NAG C 2 61.146 8.882 38.625 1.00 0.34 O +HETATM 5527 O6 NAG C 2 58.932 11.516 39.410 1.00 0.34 O +HETATM 5528 O7 NAG C 2 64.776 5.178 40.850 1.00 0.34 O +HETATM 5529 C1 MAN C 3 62.066 12.640 41.472 1.00 0.84 C +HETATM 5530 C2 MAN C 3 63.047 12.780 42.671 1.00 0.84 C +HETATM 5531 C3 MAN C 3 63.477 14.243 42.879 1.00 0.84 C +HETATM 5532 C4 MAN C 3 62.270 15.209 42.892 1.00 0.84 C +HETATM 5533 C5 MAN C 3 61.275 14.940 41.748 1.00 0.84 C +HETATM 5534 C6 MAN C 3 61.746 15.411 40.385 1.00 0.84 C +HETATM 5535 O2 MAN C 3 64.208 11.980 42.474 1.00 0.84 O +HETATM 5536 O3 MAN C 3 64.413 14.638 41.879 1.00 0.84 O +HETATM 5537 O4 MAN C 3 61.589 15.131 44.140 1.00 0.84 O +HETATM 5538 O5 MAN C 3 60.931 13.525 41.656 1.00 0.84 O +HETATM 5539 O6 MAN C 3 61.115 16.633 40.029 1.00 0.84 O +HETATM 5540 C1 NAG D 1 49.589 -8.913 30.574 1.00 0.01 C +HETATM 5541 C2 NAG D 1 48.429 -9.294 31.508 1.00 0.01 C +HETATM 5542 C3 NAG D 1 48.089 -10.793 31.338 1.00 0.01 C +HETATM 5543 C4 NAG D 1 47.983 -11.195 29.860 1.00 0.01 C +HETATM 5544 C5 NAG D 1 49.187 -10.704 29.065 1.00 0.01 C +HETATM 5545 C6 NAG D 1 49.029 -10.949 27.577 1.00 0.01 C +HETATM 5546 C7 NAG D 1 48.120 -8.104 33.613 1.00 0.01 C +HETATM 5547 C8 NAG D 1 46.809 -8.524 34.267 1.00 0.01 C +HETATM 5548 N2 NAG D 1 48.784 -9.015 32.898 1.00 0.01 N +HETATM 5549 O3 NAG D 1 46.848 -11.065 31.975 1.00 0.01 O +HETATM 5550 O4 NAG D 1 47.876 -12.623 29.739 1.00 0.01 O +HETATM 5551 O5 NAG D 1 49.313 -9.290 29.230 1.00 0.01 O +HETATM 5552 O6 NAG D 1 48.238 -9.935 26.970 1.00 0.01 O +HETATM 5553 O7 NAG D 1 48.532 -6.954 33.778 1.00 0.01 O +HETATM 5554 C1 NAG D 2 46.626 -13.060 29.352 1.00 0.34 C +HETATM 5555 C2 NAG D 2 46.723 -14.421 28.686 1.00 0.34 C +HETATM 5556 C3 NAG D 2 45.318 -14.864 28.251 1.00 0.34 C +HETATM 5557 C4 NAG D 2 44.344 -14.818 29.451 1.00 0.34 C +HETATM 5558 C5 NAG D 2 44.441 -13.452 30.184 1.00 0.34 C +HETATM 5559 C6 NAG D 2 43.653 -13.395 31.483 1.00 0.34 C +HETATM 5560 C7 NAG D 2 48.903 -14.644 27.728 1.00 0.34 C +HETATM 5561 C8 NAG D 2 49.896 -14.063 26.735 1.00 0.34 C +HETATM 5562 N2 NAG D 2 47.617 -14.363 27.551 1.00 0.34 N +HETATM 5563 O3 NAG D 2 45.365 -16.187 27.717 1.00 0.34 O +HETATM 5564 O4 NAG D 2 43.008 -15.042 28.997 1.00 0.34 O +HETATM 5565 O5 NAG D 2 45.813 -13.164 30.518 1.00 0.34 O +HETATM 5566 O6 NAG D 2 43.647 -12.078 32.027 1.00 0.34 O +HETATM 5567 O7 NAG D 2 49.305 -15.337 28.658 1.00 0.34 O +HETATM 5568 C1 NAG E 1 36.614 0.649 -33.271 1.00 0.01 C +HETATM 5569 C2 NAG E 1 36.944 2.015 -33.861 1.00 0.01 C +HETATM 5570 C3 NAG E 1 35.671 2.811 -34.124 1.00 0.01 C +HETATM 5571 C4 NAG E 1 34.682 1.968 -34.937 1.00 0.01 C +HETATM 5572 C5 NAG E 1 34.421 0.658 -34.195 1.00 0.01 C +HETATM 5573 C6 NAG E 1 33.437 -0.264 -34.890 1.00 0.01 C +HETATM 5574 C7 NAG E 1 39.065 2.927 -33.123 1.00 0.01 C +HETATM 5575 C8 NAG E 1 39.736 2.148 -34.250 1.00 0.01 C +HETATM 5576 N2 NAG E 1 37.763 2.748 -32.917 1.00 0.01 N +HETATM 5577 O3 NAG E 1 36.004 3.993 -34.832 1.00 0.01 O +HETATM 5578 O4 NAG E 1 33.448 2.679 -35.122 1.00 0.01 O +HETATM 5579 O5 NAG E 1 35.659 -0.059 -34.068 1.00 0.01 O +HETATM 5580 O6 NAG E 1 34.049 -0.949 -35.971 1.00 0.01 O +HETATM 5581 O7 NAG E 1 39.742 3.690 -32.430 1.00 0.01 O +HETATM 5582 C1 NAG E 2 33.454 3.776 -35.966 1.00 0.34 C +HETATM 5583 C2 NAG E 2 32.060 3.927 -36.570 1.00 0.34 C +HETATM 5584 C3 NAG E 2 31.894 5.246 -37.298 1.00 0.34 C +HETATM 5585 C4 NAG E 2 32.270 6.398 -36.386 1.00 0.34 C +HETATM 5586 C5 NAG E 2 33.691 6.163 -35.858 1.00 0.34 C +HETATM 5587 C6 NAG E 2 34.163 7.214 -34.881 1.00 0.34 C +HETATM 5588 C7 NAG E 2 31.142 1.774 -36.985 1.00 0.34 C +HETATM 5589 C8 NAG E 2 31.372 0.430 -37.654 1.00 0.34 C +HETATM 5590 N2 NAG E 2 31.780 2.830 -37.467 1.00 0.34 N +HETATM 5591 O3 NAG E 2 30.543 5.396 -37.695 1.00 0.34 O +HETATM 5592 O4 NAG E 2 32.214 7.614 -37.149 1.00 0.34 O +HETATM 5593 O5 NAG E 2 33.761 4.910 -35.151 1.00 0.34 O +HETATM 5594 O6 NAG E 2 35.133 6.672 -33.993 1.00 0.34 O +HETATM 5595 O7 NAG E 2 30.398 1.850 -36.009 1.00 0.34 O +HETATM 5596 C1 BMA E 3 31.651 8.727 -36.549 1.00 0.84 C +HETATM 5597 C2 BMA E 3 32.352 9.952 -37.109 1.00 0.84 C +HETATM 5598 C3 BMA E 3 31.758 11.230 -36.534 1.00 0.84 C +HETATM 5599 C4 BMA E 3 30.232 11.242 -36.806 1.00 0.84 C +HETATM 5600 C5 BMA E 3 29.571 9.922 -36.323 1.00 0.84 C +HETATM 5601 C6 BMA E 3 28.097 9.803 -36.697 1.00 0.84 C +HETATM 5602 O2 BMA E 3 32.208 9.964 -38.525 1.00 0.84 O +HETATM 5603 O3 BMA E 3 32.420 12.336 -37.192 1.00 0.84 O +HETATM 5604 O4 BMA E 3 29.623 12.349 -36.149 1.00 0.84 O +HETATM 5605 O5 BMA E 3 30.252 8.772 -36.895 1.00 0.84 O +HETATM 5606 O6 BMA E 3 27.326 9.284 -35.618 1.00 0.84 O +HETATM 5607 C1 BMA E 4 32.139 13.652 -36.798 1.00 0.22 C +HETATM 5608 C2 BMA E 4 32.482 13.847 -35.322 1.00 0.22 C +HETATM 5609 C3 BMA E 4 32.026 15.273 -34.920 1.00 0.22 C +HETATM 5610 C4 BMA E 4 32.747 16.322 -35.781 1.00 0.22 C +HETATM 5611 C5 BMA E 4 32.595 16.001 -37.299 1.00 0.22 C +HETATM 5612 C6 BMA E 4 33.572 16.805 -38.137 1.00 0.22 C +HETATM 5613 O2 BMA E 4 33.890 13.696 -35.176 1.00 0.22 O +HETATM 5614 O3 BMA E 4 32.239 15.537 -33.533 1.00 0.22 O +HETATM 5615 O4 BMA E 4 32.202 17.608 -35.501 1.00 0.22 O +HETATM 5616 O5 BMA E 4 32.879 14.600 -37.581 1.00 0.22 O +HETATM 5617 O6 BMA E 4 34.917 16.472 -37.810 1.00 0.22 O +HETATM 5618 C1 NAG F 1 49.547 -10.003 -29.179 1.00 0.01 C +HETATM 5619 C2 NAG F 1 50.633 -10.197 -30.243 1.00 0.01 C +HETATM 5620 C3 NAG F 1 51.262 -11.592 -30.143 1.00 0.01 C +HETATM 5621 C4 NAG F 1 51.690 -11.898 -28.692 1.00 0.01 C +HETATM 5622 C5 NAG F 1 50.550 -11.612 -27.715 1.00 0.01 C +HETATM 5623 C6 NAG F 1 51.009 -11.726 -26.281 1.00 0.01 C +HETATM 5624 C7 NAG F 1 50.470 -8.917 -32.289 1.00 0.01 C +HETATM 5625 C8 NAG F 1 49.462 -7.793 -32.511 1.00 0.01 C +HETATM 5626 N2 NAG F 1 50.089 -9.978 -31.576 1.00 0.01 N +HETATM 5627 O3 NAG F 1 52.397 -11.642 -31.001 1.00 0.01 O +HETATM 5628 O4 NAG F 1 52.095 -13.277 -28.565 1.00 0.01 O +HETATM 5629 O5 NAG F 1 50.085 -10.262 -27.879 1.00 0.01 O +HETATM 5630 O6 NAG F 1 52.069 -10.817 -26.019 1.00 0.01 O +HETATM 5631 O7 NAG F 1 51.603 -8.812 -32.757 1.00 0.01 O +HETATM 5632 C1 NAG F 2 53.438 -13.485 -28.281 1.00 0.34 C +HETATM 5633 C2 NAG F 2 53.611 -14.795 -27.504 1.00 0.34 C +HETATM 5634 C3 NAG F 2 55.100 -15.193 -27.374 1.00 0.34 C +HETATM 5635 C4 NAG F 2 55.861 -15.083 -28.711 1.00 0.34 C +HETATM 5636 C5 NAG F 2 55.583 -13.711 -29.350 1.00 0.34 C +HETATM 5637 C6 NAG F 2 56.228 -13.545 -30.720 1.00 0.34 C +HETATM 5638 C7 NAG F 2 52.139 -15.466 -25.719 1.00 0.34 C +HETATM 5639 C8 NAG F 2 52.608 -16.562 -24.774 1.00 0.34 C +HETATM 5640 N2 NAG F 2 53.054 -14.619 -26.176 1.00 0.34 N +HETATM 5641 O3 NAG F 2 55.185 -16.525 -26.896 1.00 0.34 O +HETATM 5642 O4 NAG F 2 57.264 -15.258 -28.497 1.00 0.34 O +HETATM 5643 O5 NAG F 2 54.153 -13.534 -29.526 1.00 0.34 O +HETATM 5644 O6 NAG F 2 55.305 -13.828 -31.773 1.00 0.34 O +HETATM 5645 O7 NAG F 2 50.957 -15.399 -26.036 1.00 0.34 O +HETATM 5646 HG HG A 901 40.411 8.354 5.719 0.89 0.00 HG +HETATM 5647 HG HG A 903 20.184 7.350 3.092 0.75 0.00 HG +HETATM 5648 HG HG A 905 29.301 26.708 -10.434 0.58 0.00 HG +HETATM 5649 ZN ZN A 957 37.135 -1.787 32.041 0.66 0.00 ZN +HETATM 5650 ZN ZN A 959 34.185 19.475 -16.677 0.85 0.00 ZN +HETATM 5651 ZN ZN A 962 28.991 12.960 19.179 0.62 0.00 ZN +HETATM 5652 ZN ZN A2011 43.253 10.256 39.493 0.68 0.00 ZN +HETATM 5653 C1 RET A1296 34.693 6.618 17.693 1.00 0.00 C +HETATM 5654 C2 RET A1296 33.949 6.007 16.481 1.00 0.00 C +HETATM 5655 C3 RET A1296 33.295 6.984 15.554 1.00 0.00 C +HETATM 5656 C4 RET A1296 34.250 8.061 15.075 1.00 0.00 C +HETATM 5657 C5 RET A1296 35.073 8.713 16.182 1.00 0.00 C +HETATM 5658 C6 RET A1296 35.369 8.034 17.402 1.00 0.00 C +HETATM 5659 C7 RET A1296 36.337 8.608 18.406 1.00 0.00 C +HETATM 5660 C8 RET A1296 37.438 9.401 18.258 1.00 0.00 C +HETATM 5661 C9 RET A1296 38.431 9.872 19.234 1.00 0.00 C +HETATM 5662 C10 RET A1296 39.519 10.514 18.702 1.00 0.00 C +HETATM 5663 C11 RET A1296 40.671 10.996 19.451 1.00 0.00 C +HETATM 5664 C12 RET A1296 41.798 11.514 18.826 1.00 0.00 C +HETATM 5665 C13 RET A1296 42.539 11.088 17.607 1.00 0.00 C +HETATM 5666 C14 RET A1296 43.680 11.789 17.413 1.00 0.00 C +HETATM 5667 C15 RET A1296 44.708 11.526 16.458 1.00 0.00 C +HETATM 5668 C16 RET A1296 33.641 6.699 18.830 1.00 0.00 C +HETATM 5669 C17 RET A1296 35.742 5.525 18.087 1.00 0.00 C +HETATM 5670 C18 RET A1296 35.454 10.113 15.758 1.00 0.00 C +HETATM 5671 C19 RET A1296 38.163 9.605 20.709 1.00 0.00 C +HETATM 5672 C20 RET A1296 42.077 9.968 16.702 1.00 0.00 C +HETATM 5673 C1 PLM A1322 42.021 28.592 -13.584 1.00 0.00 C +HETATM 5674 O2 PLM A1322 42.869 29.454 -13.411 1.00 0.00 O +HETATM 5675 C2 PLM A1322 42.446 27.124 -13.590 1.00 0.00 C +HETATM 5676 C3 PLM A1322 42.725 26.569 -12.192 1.00 0.00 C +HETATM 5677 C4 PLM A1322 44.184 26.765 -11.815 1.00 0.00 C +HETATM 5678 C5 PLM A1322 44.326 27.121 -10.368 1.00 0.00 C +HETATM 5679 C6 PLM A1322 45.551 26.455 -9.806 1.00 0.00 C +HETATM 5680 C7 PLM A1322 45.206 25.676 -8.557 1.00 0.00 C +HETATM 5681 C8 PLM A1322 46.302 25.797 -7.493 1.00 0.00 C +HETATM 5682 C9 PLM A1322 45.777 25.469 -6.102 1.00 0.00 C +HETATM 5683 CA PLM A1322 46.247 26.471 -5.081 1.00 0.00 C +HETATM 5684 CB PLM A1322 45.072 27.062 -4.346 1.00 0.00 C +HETATM 5685 CC PLM A1322 45.337 27.124 -2.860 1.00 0.00 C +HETATM 5686 CD PLM A1322 44.180 27.782 -2.145 1.00 0.00 C +HETATM 5687 CE PLM A1322 44.688 28.832 -1.188 1.00 0.00 C +HETATM 5688 CF PLM A1322 44.468 28.432 0.262 1.00 0.00 C +HETATM 5689 CG PLM A1322 44.989 29.495 1.230 1.00 0.00 C +HETATM 5690 C1 PLM A1323 44.074 33.720 -11.543 1.00 0.00 C +HETATM 5691 O2 PLM A1323 43.561 33.494 -12.631 1.00 0.00 O +HETATM 5692 C2 PLM A1323 45.440 33.085 -11.232 1.00 0.00 C +HETATM 5693 C3 PLM A1323 45.411 31.562 -11.089 1.00 0.00 C +HETATM 5694 C4 PLM A1323 45.692 31.116 -9.653 1.00 0.00 C +HETATM 5695 C5 PLM A1323 46.548 29.864 -9.606 1.00 0.00 C +HETATM 5696 C6 PLM A1323 48.039 30.184 -9.576 1.00 0.00 C +HETATM 5697 C7 PLM A1323 48.689 29.830 -10.909 1.00 0.00 C +HETATM 5698 C8 PLM A1323 50.198 30.112 -10.937 1.00 0.00 C +HETATM 5699 C9 PLM A1323 50.683 30.461 -12.356 1.00 0.00 C +HETATM 5700 CA PLM A1323 51.759 29.506 -12.869 1.00 0.00 C +HETATM 5701 CB PLM A1323 53.150 29.859 -12.332 1.00 0.00 C +HETATM 5702 CC PLM A1323 54.243 28.973 -12.933 1.00 0.00 C +HETATM 5703 CD PLM A1323 55.278 28.570 -11.888 1.00 0.00 C +HETATM 5704 CE PLM A1323 56.596 29.286 -12.117 1.00 0.00 C +HETATM 5705 CF PLM A1323 57.494 29.254 -10.889 1.00 0.00 C +HETATM 5706 CG PLM A1323 58.792 30.027 -11.120 1.00 0.00 C +HETATM 5707 C1 PLM A1410 51.106 12.159 3.159 1.00 0.00 C +HETATM 5708 C2 PLM A1410 49.803 12.935 3.419 1.00 0.00 C +HETATM 5709 C3 PLM A1410 48.822 12.350 2.365 1.00 0.00 C +HETATM 5710 C4 PLM A1410 47.319 12.515 2.728 1.00 0.00 C +HETATM 5711 C5 PLM A1410 46.133 11.700 2.180 1.00 0.00 C +HETATM 5712 C6 PLM A1410 44.739 12.186 2.581 1.00 0.00 C +HETATM 5713 C7 PLM A1410 43.676 11.281 1.974 1.00 0.00 C +HETATM 5714 C8 PLM A1410 42.944 11.984 0.861 1.00 0.00 C +HETATM 5715 C9 PLM A1410 41.787 11.303 0.015 1.00 0.00 C +HETATM 5716 CA PLM A1410 40.399 11.317 -0.699 1.00 0.00 C +HETATM 5717 CB PLM A1410 40.085 10.164 -1.239 1.00 0.00 C +HETATM 5718 CC PLM A1410 39.096 9.444 -1.082 1.00 0.00 C +HETATM 5719 CD PLM A1410 38.435 8.341 -0.709 1.00 0.00 C +HETATM 5720 CE PLM A1410 36.993 8.099 -0.828 1.00 0.00 C +HETATM 5721 CF PLM A1410 37.109 6.587 -0.903 1.00 0.00 C +HETATM 5722 CG PLM A1410 36.091 5.654 -1.156 1.00 0.00 C +HETATM 5723 C1 HTG A1507 44.758 -7.784 18.868 1.00 0.00 C +HETATM 5724 S1 HTG A1507 43.410 -7.320 17.636 1.00 0.00 S +HETATM 5725 C2 HTG A1507 45.164 -9.331 18.667 1.00 0.00 C +HETATM 5726 O2 HTG A1507 44.010 -10.186 18.834 1.00 0.00 O +HETATM 5727 C3 HTG A1507 46.317 -9.718 19.713 1.00 0.00 C +HETATM 5728 O3 HTG A1507 46.682 -11.106 19.548 1.00 0.00 O +HETATM 5729 C4 HTG A1507 47.580 -8.755 19.478 1.00 0.00 C +HETATM 5730 O4 HTG A1507 48.639 -9.065 20.406 1.00 0.00 O +HETATM 5731 C5 HTG A1507 47.172 -7.225 19.651 1.00 0.00 C +HETATM 5732 O5 HTG A1507 46.052 -6.932 18.681 1.00 0.00 O +HETATM 5733 C6 HTG A1507 48.407 -6.312 19.370 1.00 0.00 C +HETATM 5734 O6 HTG A1507 49.201 -6.064 20.520 1.00 0.00 O +HETATM 5735 C1' HTG A1507 42.737 -5.591 17.651 1.00 0.00 C +HETATM 5736 C2' HTG A1507 42.052 -5.372 16.304 1.00 0.00 C +HETATM 5737 C3' HTG A1507 41.459 -3.990 16.172 1.00 0.00 C +HETATM 5738 C4' HTG A1507 40.404 -3.950 15.084 1.00 0.00 C +HETATM 5739 C5' HTG A1507 40.837 -3.112 13.903 1.00 0.00 C +HETATM 5740 C6' HTG A1507 39.643 -2.716 13.054 1.00 0.00 C +HETATM 5741 C7' HTG A1507 40.015 -2.629 11.598 1.00 0.00 C +HETATM 5742 HG HG B 902 59.441 8.881 -5.577 0.83 0.00 HG +HETATM 5743 HG HG B 904 79.002 11.326 -5.792 0.66 0.00 HG +HETATM 5744 HG HG B 906 68.056 30.907 8.081 0.36 0.00 HG +HETATM 5745 ZN ZN B 956 51.169 9.896 -38.585 0.68 0.00 ZN +HETATM 5746 ZN ZN B 958 60.366 -0.945 -32.311 0.51 0.00 ZN +HETATM 5747 ZN ZN B 963 67.581 15.535 -20.513 0.68 0.00 ZN +HETATM 5748 C1 RET B1296 63.173 7.960 -18.485 1.00 0.00 C +HETATM 5749 C2 RET B1296 64.191 7.475 -17.420 1.00 0.00 C +HETATM 5750 C3 RET B1296 64.851 8.550 -16.590 1.00 0.00 C +HETATM 5751 C4 RET B1296 63.856 9.503 -15.934 1.00 0.00 C +HETATM 5752 C5 RET B1296 62.791 10.041 -16.907 1.00 0.00 C +HETATM 5753 C6 RET B1296 62.383 9.303 -18.071 1.00 0.00 C +HETATM 5754 C7 RET B1296 61.191 9.750 -18.894 1.00 0.00 C +HETATM 5755 C8 RET B1296 60.032 10.383 -18.561 1.00 0.00 C +HETATM 5756 C9 RET B1296 58.877 10.742 -19.380 1.00 0.00 C +HETATM 5757 C10 RET B1296 57.766 11.123 -18.680 1.00 0.00 C +HETATM 5758 C11 RET B1296 56.461 11.458 -19.254 1.00 0.00 C +HETATM 5759 C12 RET B1296 55.339 11.719 -18.478 1.00 0.00 C +HETATM 5760 C13 RET B1296 54.868 11.131 -17.193 1.00 0.00 C +HETATM 5761 C14 RET B1296 53.702 11.705 -16.742 1.00 0.00 C +HETATM 5762 C15 RET B1296 52.861 11.286 -15.639 1.00 0.00 C +HETATM 5763 C16 RET B1296 64.022 8.126 -19.780 1.00 0.00 C +HETATM 5764 C17 RET B1296 62.187 6.753 -18.710 1.00 0.00 C +HETATM 5765 C18 RET B1296 62.311 11.407 -16.440 1.00 0.00 C +HETATM 5766 C19 RET B1296 59.005 10.648 -20.891 1.00 0.00 C +HETATM 5767 C20 RET B1296 55.591 9.993 -16.492 1.00 0.00 C +HETATM 5768 C1 PLM B1322 56.215 30.097 14.240 1.00 0.00 C +HETATM 5769 O2 PLM B1322 55.561 31.134 14.263 1.00 0.00 O +HETATM 5770 C2 PLM B1322 55.462 28.753 14.314 1.00 0.00 C +HETATM 5771 C3 PLM B1322 54.124 28.726 13.538 1.00 0.00 C +HETATM 5772 C4 PLM B1322 54.289 28.254 12.086 1.00 0.00 C +HETATM 5773 C5 PLM B1322 52.966 27.796 11.465 1.00 0.00 C +HETATM 5774 C6 PLM B1322 52.637 26.332 11.795 1.00 0.00 C +HETATM 5775 C7 PLM B1322 53.311 25.349 10.835 1.00 0.00 C +HETATM 5776 C8 PLM B1322 52.306 24.633 9.912 1.00 0.00 C +HETATM 5777 C9 PLM B1322 52.965 24.004 8.663 1.00 0.00 C +HETATM 5778 CA PLM B1322 53.158 24.996 7.504 1.00 0.00 C +HETATM 5779 CB PLM B1322 52.016 24.950 6.484 1.00 0.00 C +HETATM 5780 CC PLM B1322 51.485 26.350 6.138 1.00 0.00 C +HETATM 5781 CD PLM B1322 50.944 26.415 4.710 1.00 0.00 C +HETATM 5782 CE PLM B1322 51.597 27.537 3.913 1.00 0.00 C +HETATM 5783 CF PLM B1322 52.751 27.043 3.032 1.00 0.00 C +HETATM 5784 CG PLM B1322 53.350 28.164 2.171 1.00 0.00 C +HETATM 5785 C1 PLM B1323 53.785 34.215 12.432 1.00 0.00 C +HETATM 5786 O2 PLM B1323 54.498 34.217 13.444 1.00 0.00 O +HETATM 5787 C2 PLM B1323 52.447 33.443 12.467 1.00 0.00 C +HETATM 5788 C3 PLM B1323 52.540 31.943 12.134 1.00 0.00 C +HETATM 5789 C4 PLM B1323 51.168 31.293 11.863 1.00 0.00 C +HETATM 5790 C5 PLM B1323 50.400 30.974 13.148 1.00 0.00 C +HETATM 5791 C6 PLM B1323 50.186 29.474 13.327 1.00 0.00 C +HETATM 5792 C7 PLM B1323 50.436 29.053 14.775 1.00 0.00 C +HETATM 5793 C8 PLM B1323 49.456 27.970 15.262 1.00 0.00 C +HETATM 5794 C9 PLM B1323 48.350 28.555 16.144 1.00 0.00 C +HETATM 5795 CA PLM B1323 47.141 27.636 16.279 1.00 0.00 C +HETATM 5796 CB PLM B1323 45.950 28.132 15.455 1.00 0.00 C +HETATM 5797 CC PLM B1323 44.787 28.644 16.326 1.00 0.00 C +HETATM 5798 CD PLM B1323 43.530 27.752 16.250 1.00 0.00 C +HETATM 5799 CE PLM B1323 42.532 28.272 15.223 1.00 0.00 C +HETATM 5800 CF PLM B1323 41.456 27.247 14.856 1.00 0.00 C +HETATM 5801 CG PLM B1323 40.553 27.755 13.717 1.00 0.00 C +HETATM 5802 C1 HTO B1401 64.478 16.043 13.628 1.00 0.00 C +HETATM 5803 O1 HTO B1401 65.858 16.283 14.086 1.00 0.00 O +HETATM 5804 C2 HTO B1401 64.393 16.317 12.130 1.00 0.00 C +HETATM 5805 O2 HTO B1401 65.335 15.402 11.530 1.00 0.00 O +HETATM 5806 C3 HTO B1401 62.919 16.074 11.475 1.00 0.00 C +HETATM 5807 O3 HTO B1401 63.003 16.371 10.091 1.00 0.00 O +HETATM 5808 C4 HTO B1401 61.768 16.975 11.994 1.00 0.00 C +HETATM 5809 C5 HTO B1401 60.345 16.705 11.322 1.00 0.00 C +HETATM 5810 C6 HTO B1401 60.164 17.181 9.856 1.00 0.00 C +HETATM 5811 C7 HTO B1401 59.086 18.238 9.714 1.00 0.00 C +HETATM 5812 C1 PLM B1407 60.865 10.582 0.427 1.00 0.00 C +HETATM 5813 C2 PLM B1407 59.467 10.709 1.063 1.00 0.00 C +HETATM 5814 C3 PLM B1407 58.636 11.396 -0.051 1.00 0.00 C +HETATM 5815 C4 PLM B1407 57.152 11.631 0.299 1.00 0.00 C +HETATM 5816 C5 PLM B1407 55.979 11.636 -0.679 1.00 0.00 C +HETATM 5817 C6 PLM B1407 54.806 12.560 -0.316 1.00 0.00 C +HETATM 5818 C7 PLM B1407 53.667 12.486 -1.368 1.00 0.00 C +HETATM 5819 C8 PLM B1407 52.303 12.226 -0.714 1.00 0.00 C +HETATM 5820 C9 PLM B1407 50.914 12.085 -1.507 1.00 0.00 C +HETATM 5821 CA PLM B1407 49.853 11.238 -2.314 1.00 0.00 C +HETATM 5822 CB PLM B1407 49.148 10.391 -1.569 1.00 0.00 C +HETATM 5823 CC PLM B1407 47.994 9.924 -1.717 1.00 0.00 C +HETATM 5824 CD PLM B1407 46.785 9.755 -2.321 1.00 0.00 C +HETATM 5825 CE PLM B1407 45.666 8.884 -1.881 1.00 0.00 C +HETATM 5826 CF PLM B1407 44.691 9.274 -2.997 1.00 0.00 C +HETATM 5827 CG PLM B1407 43.293 9.115 -3.030 1.00 0.00 C +HETATM 5828 C1 HTG B1506 55.265 -8.580 -18.671 1.00 0.00 C +HETATM 5829 S1 HTG B1506 56.451 -8.074 -17.310 1.00 0.00 S +HETATM 5830 C2 HTG B1506 54.819 -10.095 -18.440 1.00 0.00 C +HETATM 5831 O2 HTG B1506 55.978 -10.948 -18.407 1.00 0.00 O +HETATM 5832 C3 HTG B1506 53.805 -10.547 -19.601 1.00 0.00 C +HETATM 5833 O3 HTG B1506 53.407 -11.920 -19.412 1.00 0.00 O +HETATM 5834 C4 HTG B1506 52.523 -9.572 -19.598 1.00 0.00 C +HETATM 5835 O4 HTG B1506 51.584 -9.958 -20.635 1.00 0.00 O +HETATM 5836 C5 HTG B1506 52.985 -8.041 -19.812 1.00 0.00 C +HETATM 5837 O5 HTG B1506 53.974 -7.692 -18.711 1.00 0.00 O +HETATM 5838 C6 HTG B1506 51.735 -7.088 -19.789 1.00 0.00 C +HETATM 5839 O6 HTG B1506 51.047 -7.051 -18.537 1.00 0.00 O +HETATM 5840 C1' HTG B1506 57.100 -6.338 -17.406 1.00 0.00 C +HETATM 5841 C2' HTG B1506 58.218 -6.158 -16.381 1.00 0.00 C +HETATM 5842 C3' HTG B1506 58.787 -4.741 -16.420 1.00 0.00 C +HETATM 5843 C4' HTG B1506 58.491 -3.964 -15.145 1.00 0.00 C +HETATM 5844 C5' HTG B1506 59.725 -3.290 -14.597 1.00 0.00 C +HETATM 5845 C6' HTG B1506 59.454 -2.680 -13.235 1.00 0.00 C +HETATM 5846 C7' HTG B1506 60.738 -2.317 -12.539 1.00 0.00 C +HETATM 5847 C1 HTG B1508 32.522 7.786 -9.349 1.00 0.00 C +HETATM 5848 S1 HTG B1508 32.534 6.999 -7.690 1.00 0.00 S +HETATM 5849 C2 HTG B1508 31.413 7.036 -10.199 1.00 0.00 C +HETATM 5850 O2 HTG B1508 31.718 5.626 -10.290 1.00 0.00 O +HETATM 5851 C3 HTG B1508 31.314 7.690 -11.651 1.00 0.00 C +HETATM 5852 O3 HTG B1508 30.300 7.019 -12.418 1.00 0.00 O +HETATM 5853 C4 HTG B1508 30.976 9.238 -11.517 1.00 0.00 C +HETATM 5854 O4 HTG B1508 30.884 9.853 -12.821 1.00 0.00 O +HETATM 5855 C5 HTG B1508 32.104 9.966 -10.642 1.00 0.00 C +HETATM 5856 O5 HTG B1508 32.147 9.265 -9.292 1.00 0.00 O +HETATM 5857 C6 HTG B1508 31.736 11.486 -10.493 1.00 0.00 C +HETATM 5858 O6 HTG B1508 30.391 11.704 -10.047 1.00 0.00 O +HETATM 5859 C1' HTG B1508 33.640 7.605 -6.356 1.00 0.00 C +HETATM 5860 C2' HTG B1508 35.081 7.469 -6.769 1.00 0.00 C +HETATM 5861 C3' HTG B1508 35.973 7.953 -5.637 1.00 0.00 C +HETATM 5862 C4' HTG B1508 36.842 9.123 -6.031 1.00 0.00 C +HETATM 5863 C5' HTG B1508 36.331 10.394 -5.427 1.00 0.00 C +HETATM 5864 C6' HTG B1508 36.816 10.545 -4.021 1.00 0.00 C +HETATM 5865 C7' HTG B1508 37.927 11.527 -3.969 1.00 0.00 C +HETATM 5866 C1 HTG B1509 64.583 20.708 15.180 1.00 0.00 C +HETATM 5867 S1 HTG B1509 63.512 21.350 13.802 1.00 0.00 S +HETATM 5868 C2 HTG B1509 65.980 21.522 15.189 1.00 0.00 C +HETATM 5869 O2 HTG B1509 66.665 21.365 13.932 1.00 0.00 O +HETATM 5870 C3 HTG B1509 66.908 21.016 16.386 1.00 0.00 C +HETATM 5871 O3 HTG B1509 68.153 21.739 16.388 1.00 0.00 O +HETATM 5872 C4 HTG B1509 66.124 21.217 17.771 1.00 0.00 C +HETATM 5873 O4 HTG B1509 66.944 20.779 18.881 1.00 0.00 O +HETATM 5874 C5 HTG B1509 64.705 20.404 17.754 1.00 0.00 C +HETATM 5875 O5 HTG B1509 63.897 20.900 16.554 1.00 0.00 O +HETATM 5876 C6 HTG B1509 63.909 20.630 19.130 1.00 0.00 C +HETATM 5877 O6 HTG B1509 62.720 21.461 19.044 1.00 0.00 O +HETATM 5878 C1' HTG B1509 61.870 20.626 13.532 1.00 0.00 C +HETATM 5879 C2' HTG B1509 61.281 21.428 12.381 1.00 0.00 C +HETATM 5880 C3' HTG B1509 59.895 20.949 12.011 1.00 0.00 C +HETATM 5881 C4' HTG B1509 59.311 21.758 10.876 1.00 0.00 C +HETATM 5882 C5' HTG B1509 58.022 22.388 11.305 1.00 0.00 C +HETATM 5883 C6' HTG B1509 57.964 23.847 10.923 1.00 0.00 C +HETATM 5884 C7' HTG B1509 57.068 24.621 11.859 1.00 0.00 C +HETATM 5885 O HOH A 964 41.824 4.738 11.658 1.00 0.00 O +HETATM 5886 O HOH A2000 49.110 7.658 28.237 1.00 0.00 O +HETATM 5887 O HOH A2002 49.342 -2.814 33.463 1.00 0.00 O +HETATM 5888 O HOH A2004 40.768 15.488 29.883 1.00 0.00 O +HETATM 5889 O HOH A2007 28.580 29.852 -16.188 1.00 0.00 O +HETATM 5890 O HOH A2014 44.912 9.872 19.727 0.94 0.00 O +HETATM 5891 O HOH A2015 35.893 12.241 8.920 1.00 0.00 O +HETATM 5892 O HOH A2017 37.208 16.105 5.882 1.00 0.00 O +HETATM 5893 O HOH A2020 33.214 11.359 5.382 1.00 0.00 O +HETATM 5894 O HOH A2021 44.328 16.987 16.914 1.00 0.00 O +HETATM 5895 O HOH A2024 29.916 23.848 0.458 1.00 0.00 O +HETATM 5896 O HOH A2027 46.968 22.773 19.155 1.00 0.00 O +HETATM 5897 O HOH A2028 52.690 19.627 23.119 1.00 0.00 O +HETATM 5898 O HOH A2030 35.579 15.961 9.298 1.00 0.00 O +HETATM 5899 O HOH A2032 48.193 3.343 23.561 1.00 0.00 O +HETATM 5900 O HOH A2033 44.911 12.701 31.169 1.00 0.00 O +HETATM 5901 O HOH A2035 50.973 8.201 19.008 1.00 0.00 O +HETATM 5902 O HOH A2039 39.965 -11.559 23.863 1.00 0.00 O +HETATM 5903 O HOH A2041 52.533 -2.907 19.218 1.00 0.00 O +HETATM 5904 O HOH A2042 58.414 10.737 35.179 1.00 0.00 O +HETATM 5905 O HOH A2045 44.990 15.499 29.228 1.00 0.00 O +HETATM 5906 O HOH A2047 50.078 -0.478 35.016 1.00 0.00 O +HETATM 5907 O HOH A2048 49.387 1.275 21.525 1.00 0.00 O +HETATM 5908 O HOH A2049 52.069 13.027 34.780 1.00 0.00 O +HETATM 5909 O HOH A2051 55.564 -2.577 25.226 1.00 0.00 O +HETATM 5910 O HOH A2052 44.768 -0.431 29.501 1.00 0.00 O +HETATM 5911 O HOH A2053 27.336 19.021 -9.912 1.00 0.00 O +HETATM 5912 O HOH A2055 61.141 -1.783 31.346 0.98 0.00 O +HETATM 5913 O HOH A2057 38.335 2.452 30.394 1.00 0.00 O +HETATM 5914 O HOH A2058 42.132 18.219 32.056 1.00 0.00 O +HETATM 5915 O HOH A2059 45.613 15.970 34.061 0.99 0.00 O +HETATM 5916 O HOH A2061 30.369 29.006 -11.025 1.00 0.00 O +HETATM 5917 O HOH A2062 42.839 12.670 35.850 1.00 0.00 O +HETATM 5918 O HOH A2063 37.788 14.979 32.972 1.00 0.00 O +HETATM 5919 O HOH A2064 48.953 4.821 25.720 1.00 0.00 O +HETATM 5920 O HOH A2068 34.641 4.694 44.098 1.00 0.00 O +HETATM 5921 O HOH A2070 24.499 16.592 -12.939 1.00 0.00 O +HETATM 5922 O HOH B2005 63.175 6.145 -37.125 1.00 0.00 O +HETATM 5923 O HOH B2008 65.482 13.261 -6.143 1.00 0.00 O +HETATM 5924 O HOH B2009 62.245 17.200 -9.666 0.96 0.00 O +HETATM 5925 O HOH B2012 37.413 -0.051 -36.633 1.00 0.00 O +HETATM 5926 O HOH B2016 60.389 17.198 -5.853 1.00 0.00 O +HETATM 5927 O HOH B2018 52.246 8.805 -18.688 1.00 0.00 O +HETATM 5928 O HOH B2019 57.417 4.579 -11.690 1.00 0.00 O +HETATM 5929 O HOH B2022 52.584 16.809 -16.042 1.00 0.00 O +HETATM 5930 O HOH B2023 47.327 6.545 -26.718 0.99 0.00 O +HETATM 5931 O HOH B2025 67.255 26.384 -1.416 1.00 0.00 O +HETATM 5932 O HOH B2026 48.603 21.953 -18.210 1.00 0.00 O +HETATM 5933 O HOH B2029 42.986 17.310 -21.550 0.95 0.00 O +HETATM 5934 O HOH B2031 49.956 2.198 -22.322 1.00 0.00 O +HETATM 5935 O HOH B2034 50.483 12.089 -30.280 1.00 0.00 O +HETATM 5936 O HOH B2036 61.977 14.597 -9.561 1.00 0.00 O +HETATM 5937 O HOH B2037 47.834 6.801 -17.635 1.00 0.00 O +HETATM 5938 O HOH B2038 60.768 -10.665 -24.153 1.00 0.00 O +HETATM 5939 O HOH B2040 38.374 -1.735 -35.214 1.00 0.00 O +HETATM 5940 O HOH B2043 47.993 -5.229 -18.107 1.00 0.00 O +HETATM 5941 O HOH B2044 59.290 7.983 -29.702 1.00 0.00 O +HETATM 5942 O HOH B2046 48.879 4.064 -24.826 1.00 0.00 O +HETATM 5943 O HOH B2050 49.158 0.599 -20.238 1.00 0.00 O +HETATM 5944 O HOH B2054 46.199 -3.971 -17.556 1.00 0.00 O +HETATM 5945 O HOH B2056 43.940 -7.703 -26.199 1.00 0.00 O +HETATM 5946 O HOH B2060 49.944 14.940 -28.371 1.00 0.00 O +HETATM 5947 O HOH B2065 46.801 -1.635 -34.122 1.00 0.00 O +HETATM 5948 O HOH B2066 53.036 -0.881 -28.890 1.00 0.00 O +HETATM 5949 O HOH B2067 47.971 -3.519 -26.335 1.00 0.00 O +HETATM 5950 O HOH B2069 58.943 3.863 -30.455 1.00 0.00 O +CONECT 1 2 3 4 +CONECT 2 1 +CONECT 3 1 +CONECT 4 1 +CONECT 19 5540 +CONECT 120 5501 +CONECT 886 1476 +CONECT 973 5651 +CONECT 1004 5651 +CONECT 1299 5651 +CONECT 1476 886 +CONECT 1544 5652 +CONECT 1561 5652 +CONECT 1593 5649 +CONECT 1594 5649 +CONECT 1678 5651 +CONECT 1774 5647 +CONECT 2100 5646 +CONECT 2230 5649 +CONECT 2360 5667 +CONECT 2366 5646 +CONECT 2480 5650 +CONECT 2484 5648 +CONECT 2525 5648 +CONECT 2568 5673 +CONECT 2574 5690 +CONECT 2615 5650 +CONECT 2751 2752 2753 2754 +CONECT 2752 2751 +CONECT 2753 2751 +CONECT 2754 2751 +CONECT 2769 5618 +CONECT 2870 5568 +CONECT 3280 5744 +CONECT 3636 4226 +CONECT 3754 5747 +CONECT 4226 3636 +CONECT 4294 5745 +CONECT 4311 5745 +CONECT 4343 5746 +CONECT 4344 5746 +CONECT 4428 5747 +CONECT 4850 5742 +CONECT 4980 5746 +CONECT 5110 5762 +CONECT 5275 5744 +CONECT 5318 5768 +CONECT 5324 5785 +CONECT 5411 5744 +CONECT 5418 5744 +CONECT 5501 120 5502 5512 +CONECT 5502 5501 5503 5509 +CONECT 5503 5502 5504 5510 +CONECT 5504 5503 5505 5511 +CONECT 5505 5504 5506 5512 +CONECT 5506 5505 5513 +CONECT 5507 5508 5509 5514 +CONECT 5508 5507 +CONECT 5509 5502 5507 +CONECT 5510 5503 +CONECT 5511 5504 5515 +CONECT 5512 5501 5505 +CONECT 5513 5506 +CONECT 5514 5507 +CONECT 5515 5511 5516 5526 +CONECT 5516 5515 5517 5523 +CONECT 5517 5516 5518 5524 +CONECT 5518 5517 5519 5525 +CONECT 5519 5518 5520 5526 +CONECT 5520 5519 5527 +CONECT 5521 5522 5523 5528 +CONECT 5522 5521 +CONECT 5523 5516 5521 +CONECT 5524 5517 +CONECT 5525 5518 5529 +CONECT 5526 5515 5519 +CONECT 5527 5520 +CONECT 5528 5521 +CONECT 5529 5525 5530 5538 +CONECT 5530 5529 5531 5535 +CONECT 5531 5530 5532 5536 +CONECT 5532 5531 5533 5537 +CONECT 5533 5532 5534 5538 +CONECT 5534 5533 5539 +CONECT 5535 5530 +CONECT 5536 5531 +CONECT 5537 5532 +CONECT 5538 5529 5533 +CONECT 5539 5534 +CONECT 5540 19 5541 5551 +CONECT 5541 5540 5542 5548 +CONECT 5542 5541 5543 5549 +CONECT 5543 5542 5544 5550 +CONECT 5544 5543 5545 5551 +CONECT 5545 5544 5552 +CONECT 5546 5547 5548 5553 +CONECT 5547 5546 +CONECT 5548 5541 5546 +CONECT 5549 5542 +CONECT 5550 5543 5554 +CONECT 5551 5540 5544 +CONECT 5552 5545 +CONECT 5553 5546 +CONECT 5554 5550 5555 5565 +CONECT 5555 5554 5556 5562 +CONECT 5556 5555 5557 5563 +CONECT 5557 5556 5558 5564 +CONECT 5558 5557 5559 5565 +CONECT 5559 5558 5566 +CONECT 5560 5561 5562 5567 +CONECT 5561 5560 +CONECT 5562 5555 5560 +CONECT 5563 5556 +CONECT 5564 5557 +CONECT 5565 5554 5558 +CONECT 5566 5559 +CONECT 5567 5560 +CONECT 5568 2870 5569 5579 +CONECT 5569 5568 5570 5576 +CONECT 5570 5569 5571 5577 +CONECT 5571 5570 5572 5578 +CONECT 5572 5571 5573 5579 +CONECT 5573 5572 5580 +CONECT 5574 5575 5576 5581 +CONECT 5575 5574 +CONECT 5576 5569 5574 +CONECT 5577 5570 +CONECT 5578 5571 5582 +CONECT 5579 5568 5572 +CONECT 5580 5573 +CONECT 5581 5574 +CONECT 5582 5578 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29 8 0 0 6 5948 2 434 54 +END diff --git a/examples/optics_on_optics_results_2026-01-26_15-46-29/arg_log.txt b/examples/optics_on_optics_results_2026-01-26_15-46-29/arg_log.txt new file mode 100644 index 00000000..6a38227b --- /dev/null +++ b/examples/optics_on_optics_results_2026-01-26_15-46-29/arg_log.txt @@ -0,0 +1,17 @@ +Selected Options... +input_sequence: D:/safra/Github/optics/examples/optics_ex_short.fasta +report_dir: D:/safra/Github/optics/examples/optics_on_optics_results_2026-01-26_15-46-29 +output_file: optics_results +model: whole-dataset-mnm +encoding_method: aa_prop +tolerate_non_standard_aa: True +tolerate_incomplete_seqs: False +blastp: True + blastp_report: blastp_report.txt + refseq: bovine + custom_ref_file: None +bootstrap: True + visualize_bootstrap: True + bootstrap_viz_file: bootstrap_viz + save_as: svg + full_spectrum_xaxis: False diff --git a/examples/optics_on_optics_results_2026-01-26_15-46-29/blastp_report.csv b/examples/optics_on_optics_results_2026-01-26_15-46-29/blastp_report.csv new file mode 100644 index 00000000..2d1f4b28 --- /dev/null +++ b/examples/optics_on_optics_results_2026-01-26_15-46-29/blastp_report.csv @@ -0,0 +1,6 @@ +query_id,status,closest_match_id,match_species,match_opsin_family,match_accession,match_lambda_max,percent_identity,alignment_length,mismatches,gap_opens,e_value,differences_from_match +Bombus_impatiens|347,Success,MNM1655,Bombus_ impatiens,"opsin, ultraviolet-sensitive [Bombus impatiens]",NP_001267052.1,352.0,100.0,371,0,0,0.0,No Differences +Bombus_impatiens|424,Success,S801,Apis_cerana,,AB355817,430.0,87.302,378,47,1,0.0,E3K; H13Y; G23A; I25P; Y30H; W35F; F39L; V52L; P67S; A71P; M100I; A112V; A114S; S125A; F178Y; L183F; E194D; Q196E; M205T; S206C; T217I; V220I; Y221L; Q225R; Q228N; R235K; V246A; L248V; M273L; A276V; F277Y; I286V; L293V; H335S; S337A; A338T; V340A; S347T +Bombus_impatiens|539,Success,MNM1706,Apis_mellifera,,U26026,529.0,88.889,378,40,2,0.0,S3A; A4V; L5S; A14N; H33N; F37Y; L49M; I53V; D83N; T149S; L155I; L158I; G159A; I166G; S193N; D197G; I198L; V199L; V201A; I204L; L205V; L206C; S208G; F214V; W221Y; Y225F; W273F; S277N; Y287F; A328S; P329-; T330S; T334V; V337T +Neogonodactylus_oerstedii|383,Success,MNM1565,Neogonodactylus_oerstedii,SWS/UVS,STO|Neoer|UVS|AIF73508,383.0,100.0,368,0,0,0.0,A348- +Neogonodactylus_oerstedii|334,Success,MNM1700,Neogonodactylus_oerstedii,SWS/UVS,STO|Neoer|UVS|AIF73507,388.0,100.0,349,0,0,0.0,No Differences diff --git a/examples/optics_on_optics_results_2026-01-26_15-46-29/bootstrap_viz_part1.svg b/examples/optics_on_optics_results_2026-01-26_15-46-29/bootstrap_viz_part1.svg new file mode 100644 index 00000000..000dfb1f --- /dev/null +++ b/examples/optics_on_optics_results_2026-01-26_15-46-29/bootstrap_viz_part1.svg @@ -0,0 +1,2161 @@ + + + + + + + + 2026-01-26T15:46:30.628055 + image/svg+xml + + + Matplotlib v3.9.2, https://matplotlib.org/ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 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@@ +TREE_COLORS +SEPARATOR TAB +DATA +Neogonodactylus_oerstedii|334 label_background #700092 +Neogonodactylus_oerstedii|383 label_background #6f0086 +Bombus_impatiens|539 label_background #7dff00 +Bombus_impatiens|424 label_background #0000ff +Bombus_impatiens|347 label_background #610061 diff --git a/examples/optics_on_optics_results_2026-01-26_15-46-29/optics_results_predictions.tsv b/examples/optics_on_optics_results_2026-01-26_15-46-29/optics_results_predictions.tsv new file mode 100644 index 00000000..516c2bbe --- /dev/null +++ b/examples/optics_on_optics_results_2026-01-26_15-46-29/optics_results_predictions.tsv @@ -0,0 +1,6 @@ +Names Single_Prediction Prediction_Means Prediction_Medians Prediction_Lower_Bounds Prediction_Upper_Bounds Std_Deviation %Identity_Nearest_VPOD_Sequence Sequence_Length Lmax_Hex_Color +Neogonodactylus_oerstedii|334 388.6 397.0 388.1 387.2 447.9 17.7 100.0 349 #700092 +Neogonodactylus_oerstedii|383 381.7 392.8 384.1 370.4 435.1 18.6 100.0 405 #6f0086 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#610061 diff --git a/examples/optics_on_testing_2026-01-26_15-25-47/itol_color_annotation.txt b/examples/optics_on_testing_2026-01-26_15-25-47/itol_color_annotation.txt new file mode 100644 index 00000000..e723c7ed --- /dev/null +++ b/examples/optics_on_testing_2026-01-26_15-25-47/itol_color_annotation.txt @@ -0,0 +1,8 @@ +TREE_COLORS +SEPARATOR TAB +DATA +Neogonodactylus_oerstedii|334 label_background #700092 +Neogonodactylus_oerstedii|383 label_background #6f0086 +Bombus_impatiens|539 label_background #7dff00 +Bombus_impatiens|424 label_background #0000ff +Bombus_impatiens|347 label_background #610061 diff --git a/examples/optics_on_testing_2026-01-26_15-25-47/testing_predictions.tsv b/examples/optics_on_testing_2026-01-26_15-25-47/testing_predictions.tsv new file mode 100644 index 00000000..516c2bbe --- /dev/null +++ b/examples/optics_on_testing_2026-01-26_15-25-47/testing_predictions.tsv @@ -0,0 +1,6 @@ +Names Single_Prediction Prediction_Means Prediction_Medians 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a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Bombus_impatiens_424_vs_Bombus_impatiens_347_shap_data.csv b/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Bombus_impatiens_424_vs_Bombus_impatiens_347_shap_data.csv new file mode 100644 index 00000000..784eef30 --- /dev/null +++ b/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Bombus_impatiens_424_vs_Bombus_impatiens_347_shap_data.csv @@ -0,0 +1,501 @@ +feature,Bombus_impatiens|424_states,Bombus_impatiens|347_states,Bombus_impatiens|424_shap,Bombus_impatiens|347_shap,shap_difference,true_position,Bombus_impatiens|424_obs_aa,Bombus_impatiens|347_obs_aa,Bombus_impatiens|424_display,Bombus_impatiens|347_display,abs_shap_diff +p285_H2,-0.5,0.06,7.938232113569975,-11.644557816311718,19.58278992988169,286_H2,I,G,-1.8,0.0,19.58278992988169 +p124_MASS,0.47,0.38,-34.77250591345131,-50.753586557209495,15.981080643758183,125_MASS,S,A,87.0782,71.0788,15.981080643758183 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a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Neogonodactylus_oerstedii_334_vs_Bombus_impatiens_347_shap_data.csv b/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Neogonodactylus_oerstedii_334_vs_Bombus_impatiens_347_shap_data.csv new file mode 100644 index 00000000..1b879e2d --- /dev/null +++ b/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Neogonodactylus_oerstedii_334_vs_Bombus_impatiens_347_shap_data.csv @@ -0,0 +1,488 @@ +feature,Neogonodactylus_oerstedii|334_states,Bombus_impatiens|347_states,Neogonodactylus_oerstedii|334_shap,Bombus_impatiens|347_shap,shap_difference,true_position,Neogonodactylus_oerstedii|334_obs_aa,Bombus_impatiens|347_obs_aa,Neogonodactylus_oerstedii|334_display,Bombus_impatiens|347_display,abs_shap_diff +p285_H2,-0.72,0.06,4.482874379083515,-11.644557816311718,16.127432195395233,286_H2,F,G,-2.5,0.0,16.127432195395233 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+ diff --git a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/shap_script_log.txt b/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/shap_script_log.txt new file mode 100644 index 00000000..3816d4d6 --- /dev/null +++ b/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/shap_script_log.txt @@ -0,0 +1,53 @@ +Command executed: +GUI_Execution + + +SHAP Comparison: Neogonodactylus_oerstedii|334 vs Neogonodactylus_oerstedii|383 + Neogonodactylus_oerstedii|334 Prediction: 388.6nm || Neogonodactylus_oerstedii|383 Prediction: 381.7nm + Actual Pred difference: 6.90nm + Sum of SHAP difference: 6.91nm + +SHAP Comparison: Neogonodactylus_oerstedii|334 vs Bombus_impatiens|539 + Neogonodactylus_oerstedii|334 Prediction: 388.6nm || Bombus_impatiens|539 Prediction: 538.1nm + Actual Pred difference: -149.50nm + Sum of SHAP difference: -149.55nm + +SHAP Comparison: Neogonodactylus_oerstedii|334 vs Bombus_impatiens|424 + Neogonodactylus_oerstedii|334 Prediction: 388.6nm || Bombus_impatiens|424 Prediction: 443.5nm + Actual Pred difference: -54.90nm + Sum of SHAP difference: -54.89nm + +SHAP Comparison: Neogonodactylus_oerstedii|334 vs Bombus_impatiens|347 + Neogonodactylus_oerstedii|334 Prediction: 388.6nm || Bombus_impatiens|347 Prediction: 350.4nm + Actual Pred difference: 38.20nm + Sum of SHAP difference: 38.21nm + +SHAP Comparison: Neogonodactylus_oerstedii|383 vs Bombus_impatiens|539 + Neogonodactylus_oerstedii|383 Prediction: 381.7nm || Bombus_impatiens|539 Prediction: 538.1nm + Actual Pred difference: -156.40nm + Sum of SHAP difference: -156.46nm + +SHAP Comparison: Neogonodactylus_oerstedii|383 vs Bombus_impatiens|424 + Neogonodactylus_oerstedii|383 Prediction: 381.7nm || Bombus_impatiens|424 Prediction: 443.5nm + Actual Pred difference: -61.80nm + Sum of SHAP difference: -61.80nm + +SHAP Comparison: Neogonodactylus_oerstedii|383 vs Bombus_impatiens|347 + Neogonodactylus_oerstedii|383 Prediction: 381.7nm || Bombus_impatiens|347 Prediction: 350.4nm + Actual Pred difference: 31.30nm + Sum of SHAP difference: 31.30nm + +SHAP Comparison: Bombus_impatiens|539 vs Bombus_impatiens|424 + Bombus_impatiens|539 Prediction: 538.1nm || Bombus_impatiens|424 Prediction: 443.5nm + Actual Pred difference: 94.60nm + Sum of SHAP difference: 94.66nm + +SHAP Comparison: Bombus_impatiens|539 vs Bombus_impatiens|347 + Bombus_impatiens|539 Prediction: 538.1nm || Bombus_impatiens|347 Prediction: 350.4nm + Actual Pred difference: 187.70nm + Sum of SHAP difference: 187.76nm + +SHAP Comparison: Bombus_impatiens|424 vs Bombus_impatiens|347 + Bombus_impatiens|424 Prediction: 443.5nm || Bombus_impatiens|347 Prediction: 350.4nm + Actual Pred difference: 93.10nm + Sum of SHAP difference: 93.10nm diff --git a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/testing_gui_v2_prediction_diff_matrix.csv b/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/testing_gui_v2_prediction_diff_matrix.csv new file mode 100644 index 00000000..02202e57 --- 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zGaz9pZQ!j)!5Aht9+YGlj+@2euBuITRgf8}SL1SPDWJiR^u8DNL*Nn3iBC;t`4Z9{65^OK)4Zl8KW-R@A#l=0mP8`agYw zl4HZ|xX9nD_E_h=!``sM>hGtqY$SBIr&!N9j@M9+#Y1%841)8h40llq??IoRe;#x& zhc>9LjM?LZrfYBl*D~!kN@98ypuHyIE1?!!(;T6norz8j#2)@+L3r%qbX5#69(ZPR zTo}`MljL6P_)egZN!<^LBELwZWHId}7B&Uo|7V{t2K{pj!dUn}xv1;t>%`ArSO6dh ztK;A3ziFWB@ay!*Kkzxs=l=^?a$Ugn_V{lBwZZh5hWUTf%zre?*QH$VUjCL6gw=`v zr<8wsnd{K&Df}PkDW(tlS3bQTzXi`s;G8 hhtfZC_%Srze+eud4IqZi0s!zZy9_3o`;q;+`yU=kQ91ws literal 0 HcmV?d00001 diff --git a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/testing_gui_v2_predictions.csv b/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/testing_gui_v2_predictions.csv new file mode 100644 index 00000000..7e5c3156 --- /dev/null +++ b/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/testing_gui_v2_predictions.csv @@ -0,0 +1,6 @@ +Names,Single_Prediction,SHAP_Prediction,Sequence_Length +Neogonodactylus_oerstedii|334,388.6,-83.2066277164279,380 +Neogonodactylus_oerstedii|383,381.7,-90.11247229447588,436 +Bombus_impatiens|539,538.1,66.34461194183444,399 +Bombus_impatiens|424,443.5,-28.311978842762763,401 +Bombus_impatiens|347,350.4,-121.41171750853886,393 diff --git a/examples/visualize_Bombus_impatiens_347.pml b/examples/visualize_Bombus_impatiens_347.pml new file mode 100644 index 00000000..b4567f44 --- /dev/null +++ b/examples/visualize_Bombus_impatiens_347.pml @@ -0,0 +1,7 @@ +load Bombus_impatiens_347_structure_heatmap.pdb +hide everything +show cartoon +spectrum b, blue_white_red, minimum=0, maximum=100 +ramp_new scale, none, [0, 50, 100], [blue, white, red] +bg_color white +# NOTE: B-factors now represent ML Feature Importance (0=Low, 100=High) diff --git a/optics_structure_map.py b/optics_structure_map.py new file mode 100644 index 00000000..6378f683 --- /dev/null +++ b/optics_structure_map.py @@ -0,0 +1,304 @@ +#opsin_structure_map.py + +import os +import sys +import argparse +import pandas as pd +import numpy as np +import re +import warnings +import urllib.request # Added to support online PDB fetching + +# --- Configuration & Reasoning --- +# PDB files are fixed-width text files (Fortran style). +# We target the B-factor column (temperature factor), which occupies columns 61-66. +# By replacing this value with the SHAP importance, visualization tools (PyMOL, Chimera, VMD) +# can color the structure by "Temperature", effectively creating a 3D heatmap of ML importance. + +def fetch_pdb_from_rcsb(pdb_id, save_dir): + """ + Downloads a PDB file from the RCSB database if it is not found locally. + + Args: + pdb_id (str): The 4-character PDB accession code (e.g., '1U19'). + save_dir (str): Directory to save the downloaded file. + + Returns: + str: Path to the downloaded file, or None if failed. + """ + pdb_id = pdb_id.upper() + url = f"https://files.rcsb.org/download/{pdb_id}.pdb" + dest_path = os.path.join(save_dir, f"{pdb_id}.pdb") + + print(f" - '{pdb_id}' identified as potential PDB ID. Attempting download from RCSB...") + print(f" - Source: {url}") + + try: + # User-agent is sometimes required by strict servers, though RCSB is usually lenient. + # using standard urllib.request.urlretrieve is the simplest method for "No Heavy Dependencies" + urllib.request.urlretrieve(url, dest_path) + + # Verify download wasn't an HTML error page (basic check) + if os.path.exists(dest_path) and os.path.getsize(dest_path) > 0: + print(f" - Download successful: {dest_path}") + return dest_path + else: + print(f" - Download failed (empty file).") + return None + + except Exception as e: + print(f" - Download failed: {e}") + return None + +def parse_shap_csv(shap_csv_path, encoding_method='aa_prop'): + """ + Parses the SHAP analysis CSV generated by optics_shap.py. + + Logic: + 1. Reads the CSV containing 'feature' and 'shap_effect' (or 'abs_shap'). + 2. Extracts the residue position from the feature name. + - Expected AA_PROP format: "P123_Hydrophobicity" -> Pos 123 + - Expected ONE_HOT format: "123_A" or "A123_..." -> Pos 123 + 3. Aggregates values: A single residue may have multiple features (mass, charge, etc.). + We sum the ABSOLUTE SHAP values to determine total importance of that site. + + Returns: + dict: {residue_number (int): aggregated_importance_score (float)} + """ + try: + df = pd.read_csv(shap_csv_path) + except FileNotFoundError: + raise FileNotFoundError(f"Could not find SHAP data file: {shap_csv_path}") + + # Validation: Ensure required columns exist + # usage of 'shap_effect' allows us to calculate magnitude ourselves + if 'true_position' in df.columns: + required_cols = {'true_position', 'shap_effect'} + else: + required_cols = {'feature', 'shap_effect'} + + if not required_cols.issubset(df.columns): + # Fallback to abs_shap if shap_effect isn't there, or error out + if 'abs_shap' in df.columns and 'feature' in df.columns: + pass # We are good + else: + raise ValueError(f"CSV must contain columns: {required_cols}") + + importance_map = {} + + for _, row in df.iterrows(): + + if 'true_position' in df.columns: + feature_name = str(row['true_position']) + else: + feature_name = str(row['feature']) + + + # --- Feature Name Parsing Logic --- + # We need to extract the numeric position from strings like "P123_H1" or "123_A". + # We use Regex to find the first sequence of digits. + match = re.search(r'(\d+)', feature_name) + + if match: + residue_pos = int(match.group(1)) + + # Get magnitude of importance (absolute value) + # We care about impact, not direction (red/blue shift) for the structure map + if 'abs_shap' in row: + impact = row['abs_shap'] + else: + impact = abs(row['shap_effect']) + + # Aggregate: Add to existing total for this residue + if residue_pos in importance_map: + importance_map[residue_pos] += impact + else: + importance_map[residue_pos] = impact + else: + # Skip features that don't map to a specific residue (e.g., global descriptors if any) + continue + + return importance_map + +def normalize_importance(importance_map, target_min=0, target_max=100): + """ + Normalizes the aggregated importance scores to a 0-100 range (Standard B-factor range). + This makes visualization in tools like PyMOL much easier (e.g., 'spectrum b'). + """ + if not importance_map: + return {} + + raw_values = list(importance_map.values()) + min_val = min(raw_values) + max_val = max(raw_values) + + # Avoid division by zero if all scores are identical + if max_val - min_val == 0: + return {k: target_max for k in importance_map} + + norm_map = {} + for pos, val in importance_map.items(): + # Min-Max normalization formula + norm_val = ((val - min_val) / (max_val - min_val)) * (target_max - target_min) + target_min + norm_map[pos] = norm_val + + return norm_map + +def map_importance_to_pdb(pdb_input_path, output_path, importance_map, offset=0, default_b=0.00): + """ + Reads a PDB file line-by-line and writes a new file with modified B-factors. + + Args: + pdb_input_path: Path to template PDB. + output_path: Path to save the new PDB. + importance_map: Dict of {residue_id: score}. + offset: Integer to adjust PDB numbering vs Alignment numbering. + (e.g., if PDB starts at 1 but Alignment starts at 20, offset is -19). + default_b: Value to use if a residue is in PDB but not in SHAP data. + """ + + with open(pdb_input_path, 'r') as f_in, open(output_path, 'w') as f_out: + for line in f_in: + # We only modify lines starting with ATOM or HETATM + if line.startswith("ATOM") or line.startswith("HETATM"): + try: + # --- PDB Column Parsing (Standard v3.3) --- + # Columns 23-26: Residue Sequence Number (Integer) + # Columns 61-66: Temperature Factor (Real 6.2) + + res_seq_str = line[22:26].strip() + pdb_res_id = int(res_seq_str) + + # Calculate the corresponding ID in our SHAP map + # Logic: Alignment_ID = PDB_ID + Offset + # (Users might need to tweak offset depending on their specific alignment) + target_id = pdb_res_id + offset + + # Get new B-factor value + new_b_factor = importance_map.get(target_id, default_b) + + # --- Reconstruction --- + # Slice the line to preserve exact formatting (PDBs are strict) + # Pre-B-factor part (Cols 1-60) + line_prefix = line[:60] + # Post-B-factor part (Cols 67-End) + line_suffix = line[66:] + + # Format new B-factor as string (width 6, 2 decimal places) + b_factor_str = f"{new_b_factor:6.2f}" + + f_out.write(f"{line_prefix}{b_factor_str}{line_suffix}") + + except ValueError: + # If parsing fails (e.g. insertion codes), write line unchanged + f_out.write(line) + else: + # Write header/footer lines unchanged + f_out.write(line) + + print(f"Successfully created structural heatmap: {output_path}") + + +def run_structural_mapping(shap_csv, pdb_input, output_dir=None, offset=0): + """ + Main orchestration function. Can be imported by GUI. + + Args: + shap_csv (str): Path to CSV data. + pdb_input (str): Path to local PDB OR a PDB ID (e.g. "1U19"). + output_dir (str): Destination for outputs. + offset (int): alignment offset. + """ + if output_dir is None: + output_dir = os.path.dirname(shap_csv) + + # Ensure output dir exists + if not os.path.isdir(output_dir): + os.makedirs(output_dir, exist_ok=True) + + print(f"\n--- Starting Structural Importance Mapping ---") + + # --- PDB Resolution Logic --- + pdb_file_path = pdb_input + + if os.path.isfile(pdb_input): + print(f"1. Using local PDB file: {pdb_input}") + else: + # Check if input looks like a PDB ID (4 chars, alphanumeric) + # This allows user to just type "1u19" instead of a path + if len(pdb_input) == 4 and pdb_input.isalnum(): + print(f"1. '{pdb_input}' is not a local file. Checking online databases...") + downloaded = fetch_pdb_from_rcsb(pdb_input, output_dir) + if downloaded: + pdb_file_path = downloaded + else: + print(" - FATAL: Could not retrieve PDB file.") + return None + else: + print(f" - FATAL: File '{pdb_input}' not found and does not look like a valid PDB ID.") + return None + + # Generate output filename based on the SHAP csv name + base_name = os.path.splitext(os.path.basename(shap_csv))[0] + base_name = base_name.replace('_shap_analysis', '') + output_pdb = os.path.join(output_dir, f"{base_name}_structure_heatmap.pdb") + + print(f"2. Parsing SHAP data from: {os.path.basename(shap_csv)}") + + # 1. Parse and Aggregate + try: + raw_importance = parse_shap_csv(shap_csv) + print(f" - Found data for {len(raw_importance)} unique residues.") + except Exception as e: + print(f" - Error parsing CSV: {e}") + return None + + # 2. Normalize + print(f"3. Normalizing scores to [0-100] scale...") + norm_importance = normalize_importance(raw_importance) + + # 3. Map to PDB + print(f"4. Mapping to template structure: {os.path.basename(pdb_file_path)}") + print(f" - Applying alignment offset: {offset}") + + try: + map_importance_to_pdb(pdb_file_path, output_pdb, norm_importance, offset=offset) + + # Create a simple PyMOL script + pymol_script = os.path.join(output_dir, f"visualize_{base_name}.pml") + with open(pymol_script, 'w') as pml: + pml.write(f"load {os.path.basename(output_pdb)}\n") + pml.write("hide everything\n") + pml.write("show cartoon\n") + pml.write("spectrum b, blue_white_red, minimum=0, maximum=100\n") + pml.write("ramp_new scale, none, [0, 50, 100], [blue, white, red]\n") + pml.write("bg_color white\n") + pml.write(f"# NOTE: B-factors now represent ML Feature Importance (0=Low, 100=High)\n") + + print(f"5. Bonus: Created PyMOL visualization script at {pymol_script}") + return output_pdb + + except Exception as e: + print(f" - Error writing PDB: {e}") + return None + +if __name__ == '__main__': + parser = argparse.ArgumentParser(description="Map OPTICS SHAP importance values onto a 3D PDB structure.") + + parser.add_argument("-s", "--shap_csv", + help="Path to the SHAP analysis CSV file (generated by optics_shap.py)", + required=True) + parser.add_argument("-p", "--pdb_file", + help="Path to a local PDB file OR a 4-letter PDB ID (e.g., '1U19') to fetch from RCSB.", + required=True) + parser.add_argument("-o", "--output_dir", + help="Directory to save the output PDB. Defaults to SHAP file directory.", + default=None) + parser.add_argument("--offset", + help="Integer offset to align SHAP positions with PDB numbering. (Default: 0)", + type=int, + default=0) + + args = parser.parse_args() + + run_structural_mapping(args.shap_csv, args.pdb_file, args.output_dir, args.offset) \ No newline at end of file diff --git a/run_optics_gui_pyqy.py b/run_optics_gui_pyqy.py new file mode 100644 index 00000000..b9c7f425 --- /dev/null +++ b/run_optics_gui_pyqy.py @@ -0,0 +1,638 @@ +import sys +import os +import math +import random +import traceback +import warnings + +# PyQt6 Imports +from PyQt6.QtWidgets import (QApplication, QMainWindow, QWidget, QVBoxLayout, + QHBoxLayout, QFormLayout, QLabel, QLineEdit, QPushButton, + QComboBox, QCheckBox, QGroupBox, QScrollArea, + QTextEdit, QFileDialog, QMessageBox, QDialog, + QSizePolicy, QFrame) +from PyQt6.QtCore import Qt, QTimer, QThread, pyqtSignal, QObject, QSize, QRectF +from PyQt6.QtGui import QPainter, QColor, QPen, QBrush, QFont, QIcon, QPalette + +warnings.filterwarnings("ignore") + +# --- Backend Imports & Mocking --- +# We keep these safe so the GUI runs even if the backend files are missing +try: + from optics_predictions import run_optics_predictions +except ImportError: + run_optics_predictions = None + +try: + from optics_shap import generate_shap_explanation +except ImportError: + generate_shap_explanation = None + +# --- Custom Logging Stream --- +class StreamRedirector(QObject): + """Redirects stdout/stderr to a PyQt Signal so it can be shown in the GUI safely.""" + text_written = pyqtSignal(str) + + def write(self, text): + self.text_written.emit(str(text)) + + def flush(self): + pass + +# --- Eye Animation Loading Screen --- +class HumanEyeLoadingScreen(QDialog): + """ + A modal loading screen with an animated eye drawn using QPainter. + """ + def __init__(self, parent=None): + super().__init__(parent) + self.setWindowFlags(Qt.WindowType.Dialog | Qt.WindowType.FramelessWindowHint) + self.setModal(True) + self.setFixedSize(400, 300) + self.setStyleSheet("background-color: #1c1c1c; border: 1px solid #333;") + + # Animation State + self.gaze_current_x = 0.0 + self.gaze_target_x = 0.0 + self.gaze_current_y = 0.0 + self.gaze_target_y = 0.0 + + self.gaze_positions = [ + (-40, -25), (45, 20), (0, 0), (30, 25), (-20, -20), (0, 0), + (-45, 0), (45, 0), (0, 30), (0, -30), (0, 0) + ] + self.gaze_position_index = 0 + self.gaze_timer_counter = 100 + self.ellipsis_count = 0 + + # Timers + self.anim_timer = QTimer(self) + self.anim_timer.timeout.connect(self.update_animation) + + self.text_timer = QTimer(self) + self.text_timer.timeout.connect(self.update_text) + + def showEvent(self, event): + super().showEvent(event) + self.start_animation() + + def start_animation(self): + self.anim_timer.start(30) # ~30fps + self.text_timer.start(400) + + def stop_animation(self): + self.anim_timer.stop() + self.text_timer.stop() + self.accept() + + def update_text(self): + self.ellipsis_count = (self.ellipsis_count + 1) % 4 + self.update() # Trigger repaint to draw text + + def update_animation(self): + self.gaze_timer_counter -= 1 + + # Pick new target + if self.gaze_timer_counter <= 0: + self.gaze_position_index = (self.gaze_position_index + 1) % len(self.gaze_positions) + self.gaze_target_x, self.gaze_target_y = self.gaze_positions[self.gaze_position_index] + + if self.gaze_target_x == 0 and self.gaze_target_y == 0: + self.gaze_timer_counter = random.randint(100, 150) + else: + self.gaze_timer_counter = random.randint(40, 80) + + # Smooth easing + self.gaze_current_x += (self.gaze_target_x - self.gaze_current_x) * 0.1 + self.gaze_current_y += (self.gaze_target_y - self.gaze_current_y) * 0.1 + + self.update() # Trigger paintEvent + + def paintEvent(self, event): + painter = QPainter(self) + painter.setRenderHint(QPainter.RenderHint.Antialiasing) + + # Center coordinates + center_x = self.width() / 2 + center_y = self.height() / 2 - 20 # Shift up slightly + + # 1. Draw Eye Sclera (White part) + painter.setBrush(QBrush(QColor("#EAEAEA"))) + painter.setPen(Qt.PenStyle.NoPen) + # Outer dark rim + painter.setBrush(QBrush(QColor("#111111"))) + painter.drawEllipse(QRectF(center_x - 110, center_y - 80, 220, 160)) + # White inner + painter.setBrush(QBrush(QColor("#EAEAEA"))) + painter.drawEllipse(QRectF(center_x - 100, center_y - 70, 200, 140)) + + # 2. Draw Iris + iris_x = center_x + self.gaze_current_x + iris_y = center_y + self.gaze_current_y + iris_radius = 35 + painter.setBrush(QBrush(QColor("#5DADE2"))) + painter.drawEllipse(QRectF(iris_x - iris_radius, iris_y - iris_radius, iris_radius*2, iris_radius*2)) + + # 3. Draw Pupil + pupil_radius = 15 + painter.setBrush(QBrush(QColor("black"))) + painter.drawEllipse(QRectF(iris_x - pupil_radius, iris_y - pupil_radius, pupil_radius*2, pupil_radius*2)) + + # 4. Highlight + highlight_x = iris_x + 10 + highlight_y = iris_y - 10 + painter.setBrush(QBrush(QColor("white"))) + painter.drawEllipse(QRectF(highlight_x - 5, highlight_y - 5, 8, 8)) + + # 5. Draw Text + dots = "." * self.ellipsis_count + text = f"Processing{dots}" + font = QFont("Century Gothic", 14, QFont.Weight.Bold) + painter.setFont(font) + painter.setPen(QColor("white")) + + text_rect = QRectF(0, center_y + 90, self.width(), 40) + painter.drawText(text_rect, Qt.AlignmentFlag.AlignCenter, text) + + +# --- Worker Thread for Long Running Tasks --- +class WorkerThread(QThread): + finished_signal = pyqtSignal(bool, str) # success, message + + def __init__(self, mode, params): + super().__init__() + self.mode = mode + self.params = params + + def run(self): + try: + if self.mode == 'predictions': + if run_optics_predictions is None: + raise ImportError("run_optics_predictions module not found.") + + # Unpack params + pred_df, output_path = run_optics_predictions( + input_sequence=self.params['input_sequence'], + pred_dir=self.params['pred_dir'], + output=self.params['output'], + model=self.params['model'], + encoding_method=self.params['encoding_method'], + blastp=self.params['blastp'], + iden_report=self.params['iden_report'], + refseq=self.params['refseq'], + reffile=self.params['reffile'], + bootstrap=self.params['bootstrap'], + visualize_bootstrap=self.params['visualize_bootstrap'], + bootstrap_viz_file=self.params['bootstrap_viz_file'], + save_as=self.params['save_as'], + full_spectrum_xaxis=self.params['full_spectrum_xaxis'], + model_version=self.params['model_version'], + tolerate_non_standard_aa=self.params['tolerate_non_standard_aa'], + tolerate_incomplete_seqs=self.params['tolerate_incomplete_seqs'] + ) + msg = f"Results are in: {os.path.dirname(output_path)}" if output_path else "Run complete." + self.finished_signal.emit(True, f"OPTICS predictions completed successfully!\n{msg}") + + elif self.mode == 'shap': + if generate_shap_explanation is None: + raise ImportError("generate_shap_explanation module not found.") + + generate_shap_explanation( + input_file=self.params['input_file'], + pred_dir=self.params['pred_dir'], + output=self.params['output'], + save_as=self.params['save_as'], + model=self.params['model'], + encoding_method=self.params['encoding_method'], + model_version=self.params['model_version'], + cmd_line="GUI_Execution", + mode=self.params['shap_mode'], + n_positions=self.params['n_positions'], + use_reference_sites=self.params['use_reference_sites'] + ) + self.finished_signal.emit(True, f"SHAP analysis completed successfully!\nResults are in: {self.params['pred_dir']}") + + except Exception as e: + tb = traceback.format_exc() + print(f"\n--- ERROR ---\n{tb}") # This goes to the GUI log via stdout redirect + self.finished_signal.emit(False, str(e)) + + +# --- Mode Selector Dialog --- +class ModeSelectorDialog(QDialog): + def __init__(self): + super().__init__() + self.setWindowTitle("Select OPTICS Mode") + self.setFixedSize(500, 400) + self.selected_mode = None + + layout = QVBoxLayout(self) + layout.setSpacing(20) + layout.setContentsMargins(40, 40, 40, 40) + + # Logo/Title + title_lbl = QLabel("Welcome to OPTICS") + title_lbl.setStyleSheet("font-family: 'Century Gothic'; font-size: 24px; font-weight: bold;") + title_lbl.setAlignment(Qt.AlignmentFlag.AlignCenter) + layout.addWidget(title_lbl) + + sub_lbl = QLabel("Select your analysis pipeline:") + sub_lbl.setStyleSheet("font-family: 'Century Gothic'; font-size: 14px;") + sub_lbl.setAlignment(Qt.AlignmentFlag.AlignCenter) + layout.addWidget(sub_lbl) + + # Buttons + btn_style = """ + QPushButton { + font-family: 'Century Gothic'; + font-size: 16px; + padding: 15px; + background-color: #3E3E3E; + color: white; + border-radius: 5px; + } + QPushButton:hover { background-color: #505050; } + """ + + pred_btn = QPushButton("Standard Predictions\n(Spectral Tuning)") + pred_btn.setStyleSheet(btn_style) + pred_btn.clicked.connect(lambda: self.select_mode('predictions')) + layout.addWidget(pred_btn) + + shap_btn = QPushButton("SHAP Interpretation\n(Feature Importance)") + shap_btn.setStyleSheet(btn_style) + shap_btn.clicked.connect(lambda: self.select_mode('shap')) + layout.addWidget(shap_btn) + + def select_mode(self, mode): + self.selected_mode = mode + self.accept() + + +# --- Main Window --- +class OpticsMainWindow(QMainWindow): + def __init__(self, mode): + super().__init__() + self.mode = mode + self.init_ui() + self.init_logging() + + def init_ui(self): + title_suffix = "Predictions" if self.mode == 'predictions' else "SHAP Analysis" + self.setWindowTitle(f"OPTICS: {title_suffix}") + self.resize(1000, 950) + + # Central Widget & Layout + central_widget = QWidget() + self.setCentralWidget(central_widget) + main_layout = QVBoxLayout(central_widget) + + # --- Top Bar --- + top_bar = QHBoxLayout() + header_lbl = QLabel(f"OPTICS: {title_suffix}") + header_lbl.setStyleSheet("font-family: 'Century Gothic'; font-size: 20px; font-weight: bold;") + top_bar.addWidget(header_lbl) + + top_bar.addStretch() + + self.theme_btn = QPushButton("Toggle Theme") # Placeholder, logic handled by Palette mostly + self.theme_btn.clicked.connect(self.toggle_theme) + top_bar.addWidget(self.theme_btn) + main_layout.addLayout(top_bar) + + # --- Scroll Area --- + scroll = QScrollArea() + scroll.setWidgetResizable(True) + scroll.setFrameShape(QFrame.Shape.NoFrame) + content_widget = QWidget() + self.form_layout = QVBoxLayout(content_widget) + self.form_layout.setSpacing(15) + scroll.setWidget(content_widget) + main_layout.addWidget(scroll) + + # --- Common Inputs --- + common_group = QGroupBox("General Options") + common_layout = QVBoxLayout() # Use VBox for rows of HBox + common_group.setLayout(common_layout) + + # Helper to create file inputs + def create_file_input(label_text, btn_cmd): + row = QHBoxLayout() + lbl = QLabel(label_text) + lbl.setFixedWidth(180) + entry = QLineEdit() + btn = QPushButton("Browse...") + btn.clicked.connect(btn_cmd) + row.addWidget(lbl) + row.addWidget(entry) + row.addWidget(btn) + common_layout.addLayout(row) + return entry + + # Helper for combos + def create_combo_input(label_text, choices): + row = QHBoxLayout() + lbl = QLabel(label_text) + lbl.setFixedWidth(180) + combo = QComboBox() + combo.addItems(choices) + row.addWidget(lbl) + row.addWidget(combo) + common_layout.addLayout(row) + return combo + + self.input_file_edit = create_file_input("Input Sequence/FASTA:", self.browse_input) + self.output_dir_edit = create_file_input("Output Directory:", self.browse_output) + + # Output Prefix + row_prefix = QHBoxLayout() + lbl_prefix = QLabel("Output Filename Prefix:") + lbl_prefix.setFixedWidth(180) + self.prefix_edit = QLineEdit() + row_prefix.addWidget(lbl_prefix) + row_prefix.addWidget(self.prefix_edit) + common_layout.addLayout(row_prefix) + + # Combos + self.version_choices = ['vpod_1.3'] + self.model_choices = ['whole-dataset', 'wildtype', 'vertebrate', 'invertebrate', + 'wildtype-vert', 'type-one', 'whole-dataset-mnm', + 'wildtype-mnm', 'vertebrate-mnm', 'invertebrate-mnm', + 'wildtype-vert-mnm', 'wildtype-mut'] + self.encoding_choices = ['one_hot', 'aa_prop'] + self.viz_ftyp_choices = ['svg', 'png', 'pdf'] + self.refseq_choices = ['bovine', 'squid', 'microbe', 'custom'] + + self.version_combo = create_combo_input("Model Version:", self.version_choices) + self.model_combo = create_combo_input("Model:", self.model_choices) + self.encoding_combo = create_combo_input("Encoding Method:", self.encoding_choices) + self.encoding_combo.setCurrentIndex(1) # aa_prop default + + self.form_layout.addWidget(common_group) + + # --- Mode Specific Widgets --- + if self.mode == 'predictions': + self.setup_predictions_ui() + else: + self.setup_shap_ui() + + # --- Run Button --- + btn_text = "Run OPTICS Predictions" if self.mode == 'predictions' else "Run SHAP Analysis" + self.run_btn = QPushButton(btn_text) + self.run_btn.setMinimumHeight(50) + self.run_btn.setStyleSheet("font-size: 16px; font-weight: bold; margin-top: 10px;") + self.run_btn.clicked.connect(self.start_process) + self.form_layout.addWidget(self.run_btn) + + # --- Log Output --- + log_group = QGroupBox("Output Log") + log_layout = QVBoxLayout() + self.log_output = QTextEdit() + self.log_output.setReadOnly(True) + self.log_output.setMinimumHeight(200) + self.log_output.setStyleSheet("font-family: Consolas, monospace; font-size: 10pt;") + log_layout.addWidget(self.log_output) + log_group.setLayout(log_layout) + self.form_layout.addWidget(log_group) + + def setup_predictions_ui(self): + # Toggles + self.tol_non_std_cb = QCheckBox("Tolerate non-standard Amino Acids") + self.tol_non_std_cb.setChecked(True) + self.form_layout.addWidget(self.tol_non_std_cb) + + self.tol_incomp_cb = QCheckBox("Tolerate Incomplete Sequences (<250 or >650 AA)") + self.form_layout.addWidget(self.tol_incomp_cb) + + # BLASTp Options + self.blast_group = QGroupBox("BLASTp Options") + self.blast_group.setCheckable(True) + self.blast_group.setChecked(True) + blast_layout = QFormLayout() + + self.blast_report_edit = QLineEdit("blastp_report.txt") + blast_layout.addRow("BLASTp Report Filename:", self.blast_report_edit) + + self.refseq_combo = QComboBox() + self.refseq_combo.addItems(self.refseq_choices) + self.refseq_combo.currentTextChanged.connect(self.toggle_custom_ref) + blast_layout.addRow("Reference Sequence:", self.refseq_combo) + + ref_file_layout = QHBoxLayout() + self.custom_ref_edit = QLineEdit() + self.custom_ref_btn = QPushButton("Browse...") + self.custom_ref_btn.clicked.connect(self.browse_custom_ref) + ref_file_layout.addWidget(self.custom_ref_edit) + ref_file_layout.addWidget(self.custom_ref_btn) + blast_layout.addRow("Custom Reference File:", ref_file_layout) + + self.blast_group.setLayout(blast_layout) + self.form_layout.addWidget(self.blast_group) + + # Trigger initial state + self.toggle_custom_ref(self.refseq_combo.currentText()) + + # Bootstrap Options + self.boot_group = QGroupBox("Bootstrap Options") + self.boot_group.setCheckable(True) + self.boot_group.setChecked(True) + boot_layout = QVBoxLayout() + + self.viz_boot_cb = QCheckBox("Visualize Bootstrap Predictions") + self.viz_boot_cb.setChecked(True) + self.viz_boot_cb.toggled.connect(self.toggle_boot_viz) + boot_layout.addWidget(self.viz_boot_cb) + + # Viz sub-options + self.viz_container = QWidget() + viz_layout = QFormLayout(self.viz_container) + self.boot_viz_edit = QLineEdit("bootstrap_viz") + viz_layout.addRow("Bootstrap Viz Filename:", self.boot_viz_edit) + + self.viz_type_combo = QComboBox() + self.viz_type_combo.addItems(self.viz_ftyp_choices) + viz_layout.addRow("Viz Filetype:", self.viz_type_combo) + + self.full_xaxis_cb = QCheckBox("Enable Full-Spectrum X-axis (300-650nm)") + viz_layout.addRow(self.full_xaxis_cb) + + boot_layout.addWidget(self.viz_container) + self.boot_group.setLayout(boot_layout) + self.form_layout.addWidget(self.boot_group) + + def setup_shap_ui(self): + shap_group = QGroupBox("SHAP Interpretation Options") + shap_layout = QFormLayout() + + self.shap_mode_combo = QComboBox() + self.shap_mode_combo.addItems(['both', 'comparison', 'single']) + shap_layout.addRow("Analysis Mode:", self.shap_mode_combo) + + self.n_pos_edit = QLineEdit("10") + shap_layout.addRow("Top N Features:", self.n_pos_edit) + + self.use_ref_cb = QCheckBox("Use Reference Numbering") + shap_layout.addRow(self.use_ref_cb) + + self.shap_save_combo = QComboBox() + self.shap_save_combo.addItems(self.viz_ftyp_choices) + shap_layout.addRow("Save Visualizations As:", self.shap_save_combo) + + shap_group.setLayout(shap_layout) + self.form_layout.addWidget(shap_group) + + def init_logging(self): + # Redirect stdout/stderr + self.redirector = StreamRedirector() + self.redirector.text_written.connect(self.append_log) + sys.stdout = self.redirector + sys.stderr = self.redirector + + def append_log(self, text): + self.log_output.moveCursor(self.log_output.textCursor().MoveOperation.End) + self.log_output.insertPlainText(text) + self.log_output.ensureCursorVisible() + + # --- Interaction Slots --- + + def toggle_theme(self): + # This is a basic switch. Ideally, use pyqtdarktheme or a full stylesheet. + # We implemented a default Dark Fusion palette below in main(). + # Reverting to light is tricky without storing the original palette, + # but for this snippet we'll just toggle a flag (functionality omitted for brevity + # as standard Qt palettes are global). + QMessageBox.information(self, "Theme", "Theme toggling requires restarting or advanced palette management in PyQt.") + + def browse_input(self): + fname, _ = QFileDialog.getOpenFileName(self, "Select Input FASTA", "", "FASTA (*.fasta *.fa *.fna);;Text (*.txt);;All (*.*)") + if fname: self.input_file_edit.setText(fname) + + def browse_output(self): + dname = QFileDialog.getExistingDirectory(self, "Select Output Directory") + if dname: self.output_dir_edit.setText(dname) + + def browse_custom_ref(self): + fname, _ = QFileDialog.getOpenFileName(self, "Select Custom Reference", "", "FASTA (*.fasta *.fa);;All (*.*)") + if fname: self.custom_ref_edit.setText(fname) + + def toggle_custom_ref(self, text): + enabled = (text == "custom" and self.blast_group.isChecked()) + self.custom_ref_edit.setEnabled(enabled) + self.custom_ref_btn.setEnabled(enabled) + + def toggle_boot_viz(self, checked): + self.viz_container.setEnabled(checked) + + # --- Processing --- + + def start_process(self): + # Validation + if not self.input_file_edit.text(): + QMessageBox.critical(self, "Input Error", "Please specify an input file.") + return + + # Prepare Params + params = { + 'input_file': self.input_file_edit.text(), # For SHAP + 'input_sequence': self.input_file_edit.text(), # For Preds + 'pred_dir': self.output_dir_edit.text() or os.path.join(os.getcwd(), 'prediction_outputs'), + 'output': self.prefix_edit.text() or "optics_results", + 'model_version': self.version_combo.currentText(), + 'model': self.model_combo.currentText(), + 'encoding_method': self.encoding_combo.currentText(), + } + + if self.mode == 'predictions': + params.update({ + 'tolerate_non_standard_aa': self.tol_non_std_cb.isChecked(), + 'tolerate_incomplete_seqs': self.tol_incomp_cb.isChecked(), + 'blastp': self.blast_group.isChecked(), + 'iden_report': self.blast_report_edit.text(), + 'refseq': self.refseq_combo.currentText(), + 'reffile': self.custom_ref_edit.text() if self.refseq_combo.currentText() == "custom" else None, + 'bootstrap': self.boot_group.isChecked(), + 'visualize_bootstrap': self.viz_boot_cb.isChecked(), + 'bootstrap_viz_file': self.boot_viz_edit.text(), + 'save_as': self.viz_type_combo.currentText(), + 'full_spectrum_xaxis': self.full_xaxis_cb.isChecked() + }) + else: + try: + n_pos = int(self.n_pos_edit.text()) + except ValueError: + n_pos = 10 + + params.update({ + 'shap_mode': self.shap_mode_combo.currentText(), + 'n_positions': n_pos, + 'use_reference_sites': self.use_ref_cb.isChecked(), + 'save_as': self.shap_save_combo.currentText() + }) + + # UI State + self.run_btn.setEnabled(False) + self.log_output.clear() + print(f"Starting {self.mode.upper()} analysis...") + + # Loading Screen + self.loading_screen = HumanEyeLoadingScreen(self) + self.loading_screen.show() + + # Thread + self.worker = WorkerThread(self.mode, params) + self.worker.finished_signal.connect(self.on_process_finished) + self.worker.start() + + def on_process_finished(self, success, message): + self.loading_screen.stop_animation() + self.loading_screen.close() + self.run_btn.setEnabled(True) + + if success: + QMessageBox.information(self, "Success", message) + else: + QMessageBox.critical(self, "Error", f"An error occurred:\n{message}") + + +def set_dark_theme(app): + """Manually apply a Fusion Dark Theme.""" + app.setStyle("Fusion") + palette = QPalette() + palette.setColor(QPalette.ColorRole.Window, QColor(53, 53, 53)) + palette.setColor(QPalette.ColorRole.WindowText, Qt.GlobalColor.white) + palette.setColor(QPalette.ColorRole.Base, QColor(25, 25, 25)) + palette.setColor(QPalette.ColorRole.AlternateBase, QColor(53, 53, 53)) + palette.setColor(QPalette.ColorRole.ToolTipBase, Qt.GlobalColor.white) + palette.setColor(QPalette.ColorRole.ToolTipText, Qt.GlobalColor.white) + palette.setColor(QPalette.ColorRole.Text, Qt.GlobalColor.white) + palette.setColor(QPalette.ColorRole.Button, QColor(53, 53, 53)) + palette.setColor(QPalette.ColorRole.ButtonText, Qt.GlobalColor.white) + palette.setColor(QPalette.ColorRole.BrightText, Qt.GlobalColor.red) + palette.setColor(QPalette.ColorRole.Link, QColor(42, 130, 218)) + palette.setColor(QPalette.ColorRole.Highlight, QColor(42, 130, 218)) + palette.setColor(QPalette.ColorRole.HighlightedText, Qt.GlobalColor.black) + app.setPalette(palette) + + +def main(): + app = QApplication(sys.argv) + + # Set global font + font = QFont("Century Gothic", 10) + app.setFont(font) + + set_dark_theme(app) + + # 1. Selector + selector = ModeSelectorDialog() + if selector.exec() == QDialog.DialogCode.Accepted: + # 2. Main Window + mode = selector.selected_mode + window = OpticsMainWindow(mode) + window.show() + sys.exit(app.exec()) + else: + sys.exit(0) + +if __name__ == "__main__": + main() \ No newline at end of file diff --git a/run_optics_gui_v2.py b/run_optics_gui_v2.py new file mode 100644 index 00000000..e190cc4f --- /dev/null +++ b/run_optics_gui_v2.py @@ -0,0 +1,658 @@ +import tkinter as tk +import tkinter.font as tkFont +import sv_ttk +from tkinter import ttk, filedialog, scrolledtext, messagebox +import threading +import sys +import os +import math +import random + +import warnings +warnings.filterwarnings("ignore") +warnings.simplefilter('ignore') + +# Attempt to import the run_optics_predictions function +try: + from optics_predictions import run_optics_predictions +except ImportError: + messagebox.showerror("Import Error", "Could not import 'run_optics_predictions' from 'optics_predictions.py'. Make sure the script is in the same directory.") + sys.exit(1) + +# Attempt to import the generate_shap_explanation function +try: + from optics_shap import generate_shap_explanation +except ImportError: + # We don't exit here strictly, just warn, in case user only wants predictions + print("Warning: Could not import 'generate_shap_explanation' from 'optics_shap.py'. SHAP mode will fail if selected.") + +# --- Eye Animation Class --- +class HumanEyeLoadingScreen(tk.Toplevel): + """ + A modal loading screen with an animated eye that looks around in multiple + directions. The loading text has an animated ellipsis. + """ + def __init__(self, parent): + super().__init__(parent) + self.parent = parent + self.withdraw() # Hide window until it's configured + + # --- Configuration --- + self.title("Processing...") + self.geometry("400x300") + self.resizable(False, False) + self.transient(parent) + self.grab_set() + + # Center the loading screen over the parent window + parent_x = parent.winfo_x() + parent_y = parent.winfo_y() + parent_width = parent.winfo_width() + parent_height = parent.winfo_height() + self.after(10, lambda: self.geometry(f"400x300+{parent_x + (parent_width // 2) - 200}+{parent_y + (parent_height // 2) - 150}")) + + # --- Widgets --- + self.canvas = tk.Canvas(self, bg="#1c1c1c", highlightthickness=0) + self.canvas.pack(fill=tk.BOTH, expand=True) + + self.loading_label = ttk.Label( + self.canvas, + text="Processing", + font=("Century Gothic", 14, "bold"), + background="#1c1c1c", + foreground="white" # Set a static white color + ) + self.canvas.create_window(200, 265, window=self.loading_label) + + # --- Animation State --- + self.animation_running = False + self.animation_id = None + self.ellipsis_count = 0 + + # --- Eye Animation Specifics --- + self.gaze_current_x = 0.0 + self.gaze_target_x = 0.0 + self.gaze_current_y = 0.0 + self.gaze_target_y = 0.0 + + self.gaze_positions = [ + (-40, -25), (45, 20), (0, 0), (30, 25), (-20, -20), (0, 0), + (-45, 0), (45, 0), (0, 30), (0, -30), (0, 0) + ] + self.gaze_position_index = 0 + self.gaze_timer = 100 + + self.lift() + self.deiconify() + + def start_animation(self): + """Starts the eye and text animations.""" + self.animation_running = True + self.animate_eye() + self.animate_text() + + def stop_animation(self): + """Stops the animations and destroys the window.""" + self.animation_running = False + if self.animation_id: + self.after_cancel(self.animation_id) + self.destroy() + + def animate_text(self): + """Animates an ellipsis on the loading text.""" + if not self.animation_running: return + self.ellipsis_count = (self.ellipsis_count + 1) % 4 + dots = "." * self.ellipsis_count + self.loading_label.config(text=f"Processing{dots}") + self.after(400, self.animate_text) + + def animate_eye(self): + """The main animation loop for the eye's movement.""" + if not self.animation_running: return + + self.gaze_timer -= 1 + if self.gaze_timer <= 0: + self.gaze_position_index = (self.gaze_position_index + 1) % len(self.gaze_positions) + self.gaze_target_x, self.gaze_target_y = self.gaze_positions[self.gaze_position_index] + + if self.gaze_target_x == 0 and self.gaze_target_y == 0: + self.gaze_timer = random.randint(100, 150) + else: + self.gaze_timer = random.randint(40, 80) + + self.gaze_current_x += (self.gaze_target_x - self.gaze_current_x) * 0.1 + self.gaze_current_y += (self.gaze_target_y - self.gaze_current_y) * 0.1 + + self.canvas.delete("all") + self.canvas.create_window(200, 265, window=self.loading_label) + center_x, center_y = 200, 130 + + self.canvas.create_oval(center_x - 110, center_y - 80, center_x + 110, center_y + 80, fill="#111111", outline="") + self.canvas.create_oval(center_x - 100, center_y - 70, center_x + 100, center_y + 70, fill="#EAEAEA", outline="") + + iris_x = center_x + self.gaze_current_x + iris_y = center_y + self.gaze_current_y + iris_radius = 35 + pupil_radius = 15 + self.canvas.create_oval(iris_x - iris_radius, iris_y - iris_radius, iris_x + iris_radius, iris_y + iris_radius, fill="#5DADE2", outline="") + self.canvas.create_oval(iris_x - pupil_radius, iris_y - pupil_radius, iris_x + pupil_radius, iris_y + pupil_radius, fill="black", outline="") + + highlight_x = iris_x + 10 + highlight_y = iris_y - 10 + self.canvas.create_oval(highlight_x - 5, highlight_y - 5, highlight_x + 3, highlight_y + 3, fill="white", outline="") + + self.animation_id = self.after(30, self.animate_eye) + + +class ModeSelector(tk.Tk): + """ + Startup dialog to select between Predictions and SHAP analysis. + """ + def __init__(self): + super().__init__() + self.title("Select OPTICS Mode") + self.geometry("500x400") + self.resizable(False, False) + self.selected_mode = None + + sv_ttk.set_theme("dark") + + # Logo + self.logo_icon_display_path = "./data/logo/optics_logo_resized.png" + try: + self.logo_icon_img = tk.PhotoImage(file=self.logo_icon_display_path) + self.iconphoto(True, self.logo_icon_img) + except tk.TclError: + self.logo_icon_img = None + + main_frame = ttk.Frame(self, padding="20") + main_frame.pack(fill=tk.BOTH, expand=True) + + if self.logo_icon_img: + logo_lbl = ttk.Label(main_frame, image=self.logo_icon_img) + logo_lbl.pack(pady=(0, 10)) + + title_lbl = ttk.Label(main_frame, text="Welcome to OPTICS", font=("Century Gothic", 18, "bold")) + title_lbl.pack(pady=10) + + subtitle_lbl = ttk.Label(main_frame, text="Select your analysis pipeline:", font=("Century Gothic", 12)) + subtitle_lbl.pack(pady=(0, 20)) + + # Buttons + style = ttk.Style() + style.configure("Big.TButton", font=("Century Gothic", 12)) + + pred_btn = ttk.Button(main_frame, text="Standard Predictions\n(Spectral Tuning)", style="Big.TButton", command=self.select_predictions) + pred_btn.pack(fill=tk.X, pady=10, ipady=10) + + shap_btn = ttk.Button(main_frame, text="SHAP Interpretation\n(Feature Importance)", style="Big.TButton", command=self.select_shap) + shap_btn.pack(fill=tk.X, pady=10, ipady=10) + + # Centering + self.eval('tk::PlaceWindow . center') + + def select_predictions(self): + self.selected_mode = 'predictions' + self.destroy() + + def select_shap(self): + self.selected_mode = 'shap' + self.destroy() + + +class OpticsGUI(tk.Tk): + def __init__(self, mode='predictions'): + super().__init__() + self.mode = mode + + title_suffix = "Predictions" if mode == 'predictions' else "SHAP Analysis" + self.title(f"OPTICS: {title_suffix}") + self.geometry("1000x950") + + # --- Define a default font --- + default_font_family = "Century Gothic" + default_font_size = 10 + style = ttk.Style(self) + style.configure(".", font=(default_font_family, default_font_size)) + + # --- Logo and Window Icon --- + self.logo_icon_display_path = "./data/logo/optics_logo_resized.png" + try: + self.logo_icon_img = tk.PhotoImage(file=self.logo_icon_display_path) + self.iconphoto(True, self.logo_icon_img) + except tk.TclError: + self.logo_icon_img = None + + sv_ttk.set_theme("dark") + self.dark_mode_enabled = True + + # --- Choices --- + self.version_choices = ['vpod_1.3'] + self.model_choices = ['whole-dataset', 'wildtype', 'vertebrate', 'invertebrate', + 'wildtype-vert', 'type-one', 'whole-dataset-mnm', + 'wildtype-mnm', 'vertebrate-mnm', 'invertebrate-mnm', + 'wildtype-vert-mnm', 'wildtype-mut'] + self.encoding_choices = ['one_hot', 'aa_prop'] + self.refseq_choices = ['bovine', 'squid', 'microbe', 'custom'] + self.viz_ftyp_choices = ['svg', 'png', 'pdf'] + + # SHAP specific choices + self.shap_mode_choices = ['both', 'comparison', 'single'] + + # --- Top Frame --- + top_bar_frame = ttk.Frame(self) + top_bar_frame.pack(fill=tk.X, padx=10, pady=(10,0)) + + header_text = f"OPTICS: {title_suffix}" + if self.logo_icon_img: + gui_logo_label = ttk.Label(top_bar_frame, image=self.logo_icon_img, text=header_text, font=("Century Gothic", 16, "bold"), compound="left") + gui_logo_label.pack(side=tk.LEFT, padx=(0,10)) + gui_logo_label.image = self.logo_icon_img + else: + gui_logo_label = ttk.Label(top_bar_frame, text=header_text, font=("Century Gothic", 16, "bold")) + gui_logo_label.pack(side=tk.LEFT, padx=(0,10)) + + + self.theme_toggle_button = ttk.Button(top_bar_frame, text="Toggle Light Mode", command=self.toggle_theme) + self.theme_toggle_button.pack(side=tk.RIGHT, padx=(0,5)) + + # --- Main Frame --- + main_frame = ttk.Frame(self, padding="10") + main_frame.pack(fill=tk.BOTH, expand=True) + + canvas = tk.Canvas(main_frame) + scrollbar = ttk.Scrollbar(main_frame, orient="vertical", command=canvas.yview) + scrollable_frame = ttk.Frame(canvas) + + scrollable_frame.bind( + "", + lambda e: canvas.configure( + scrollregion=canvas.bbox("all") + ) + ) + + canvas.create_window((0, 0), window=scrollable_frame, anchor="nw") + canvas.configure(yscrollcommand=scrollbar.set) + + canvas.pack(side="left", fill="both", expand=True) + scrollbar.pack(side="right", fill="y") + + # --- COMMON INPUT WIDGETS --- + current_row = 0 + scrollable_frame.columnconfigure(1, weight=1) + + # Input + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Input Sequence/FASTA File:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.input_file_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.input_file_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + ttk.Button(scrollable_frame, text="Browse...", command=self.browse_input_file).grid(row=current_row, column=2, padx=5, pady=5) + current_row += 1 + + # Output + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Directory:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.output_dir_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.output_dir_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + ttk.Button(scrollable_frame, text="Browse...", command=self.browse_output_dir).grid(row=current_row, column=2, padx=5, pady=5) + current_row += 1 + + # Prefix + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Filename Prefix:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.prediction_prefix_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.prediction_prefix_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + # Version + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Model Version:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.version_var = tk.StringVar(value=self.version_choices[0]) + ttk.Combobox(scrollable_frame, textvariable=self.version_var, values=self.version_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + # Model + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Model:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.model_var = tk.StringVar(value=self.model_choices[0]) + ttk.Combobox(scrollable_frame, textvariable=self.model_var, values=self.model_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + # Encoding + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Encoding Method:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.encoding_var = tk.StringVar(value=self.encoding_choices[1]) + ttk.Combobox(scrollable_frame, textvariable=self.encoding_var, values=self.encoding_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + # --- MODE SPECIFIC WIDGETS --- + + if self.mode == 'predictions': + # -- Prediction specific options -- + + # Tolerances + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Tolerate Non-standard AAs:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.non_standard_aa_var = tk.BooleanVar(value=True) + self.non_standard_aa_check = ttk.Checkbutton(scrollable_frame, text="Enable to predict on sequences with non-standard amino-acids", variable=self.non_standard_aa_var) + self.non_standard_aa_check.grid(row=current_row, column=1, columnspan=2, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Tolerate Incomplete Seqs:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.incomp_seqs_var = tk.BooleanVar(value=False) + self.incomp_seqs_check = ttk.Checkbutton(scrollable_frame, text="Enable to predict on sequences outside range of 250-650 amino-acids", variable=self.incomp_seqs_var) + self.incomp_seqs_check.grid(row=current_row, column=1, columnspan=2, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + # BLASTp Frame + blastp_frame = ttk.LabelFrame(scrollable_frame, text="BLASTp Options", padding="10") + blastp_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) + current_row += 1 + + self.blastp_enabled_var = tk.BooleanVar(value=True) + self.blastp_check = ttk.Checkbutton(blastp_frame, text="Enable BLASTp Analysis", variable=self.blastp_enabled_var, command=self.toggle_blastp_options) + self.blastp_check.grid(row=0, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + ttk.Label(blastp_frame, font=("Century Gothic", 12), text="BLASTp Report Filename:").grid(row=1, column=0, padx=5, pady=5, sticky=tk.W) + self.blastp_report_var = tk.StringVar(value="blastp_report.txt") + self.blastp_report_entry = ttk.Entry(blastp_frame, textvariable=self.blastp_report_var, width=50) + self.blastp_report_entry.grid(row=1, column=1, padx=5, pady=5, sticky=tk.EW) + + ttk.Label(blastp_frame, font=("Century Gothic", 12), text="Reference Sequence:").grid(row=2, column=0, padx=5, pady=5, sticky=tk.W) + self.refseq_var = tk.StringVar(value=self.refseq_choices[0]) + self.refseq_combo = ttk.Combobox(blastp_frame, textvariable=self.refseq_var, values=self.refseq_choices, state="readonly", width=47) + self.refseq_combo.grid(row=2, column=1, padx=5, pady=5, sticky=tk.EW) + self.refseq_combo.bind("<>", self.toggle_custom_ref_file) + + ttk.Label(blastp_frame, font=("Century Gothic", 12), text="Custom Reference File:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) + self.custom_ref_file_var = tk.StringVar() + self.custom_ref_file_entry = ttk.Entry(blastp_frame, textvariable=self.custom_ref_file_var, width=50) + self.custom_ref_file_entry.grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) + self.custom_ref_file_button = ttk.Button(blastp_frame, text="Browse...", command=self.browse_custom_ref_file) + self.custom_ref_file_button.grid(row=3, column=2, padx=5, pady=5) + + # Bootstrap Frame + bootstrap_frame = ttk.LabelFrame(scrollable_frame, text="Bootstrap Options", padding="10") + bootstrap_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) + current_row += 1 + + self.bootstrap_enabled_var = tk.BooleanVar(value=True) + self.bootstrap_check = ttk.Checkbutton(bootstrap_frame, text="Enable Bootstrap Predictions", variable=self.bootstrap_enabled_var, command=self.toggle_bootstrap_options) + self.bootstrap_check.grid(row=0, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + self.visualize_bootstrap_var = tk.BooleanVar(value=True) + self.visualize_check = ttk.Checkbutton(bootstrap_frame, text="Visualize Bootstrap Predictions", variable=self.visualize_bootstrap_var, command=self.toggle_bootstrap_options) + self.visualize_check.grid(row=1, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + ttk.Label(bootstrap_frame, font=("Century Gothic", 12), text="Bootstrap Viz Filename:").grid(row=2, column=0, padx=5, pady=5, sticky=tk.W) + self.bootstrap_viz_file_var = tk.StringVar(value="bootstrap_viz") + self.bootstrap_viz_entry = ttk.Entry(bootstrap_frame, textvariable=self.bootstrap_viz_file_var, width=50) + self.bootstrap_viz_entry.grid(row=2, column=1, padx=5, pady=5, sticky=tk.EW) + + ttk.Label(bootstrap_frame, font=("Century Gothic", 12), text="Viz Filetype:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) + self.bootstrap_fytp_var = tk.StringVar(value=self.viz_ftyp_choices[0]) + self.fytp_combo = ttk.Combobox(bootstrap_frame, textvariable=self.bootstrap_fytp_var, values=self.viz_ftyp_choices, state="readonly", width=47) + self.fytp_combo.grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) + + self.viz_xaxis_scale = tk.BooleanVar(value=False) + self.xaxis_check = ttk.Checkbutton(bootstrap_frame, text="Enable Full-Spectrum X-axis (300-650nm)", variable=self.viz_xaxis_scale) + self.xaxis_check.grid(row=4, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + # Init options + self.toggle_blastp_options() + self.toggle_bootstrap_options() + self.toggle_custom_ref_file() + + elif self.mode == 'shap': + # -- SHAP specific options -- + shap_frame = ttk.LabelFrame(scrollable_frame, text="SHAP Interpretation Options", padding="10") + shap_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) + current_row += 1 + + # Analysis Mode + ttk.Label(shap_frame, font=("Century Gothic", 12), text="Analysis Mode:").grid(row=0, column=0, padx=5, pady=5, sticky=tk.W) + self.shap_mode_var = tk.StringVar(value=self.shap_mode_choices[0]) + ttk.Combobox(shap_frame, textvariable=self.shap_mode_var, values=self.shap_mode_choices, state="readonly", width=47).grid(row=0, column=1, padx=5, pady=5, sticky=tk.EW) + + # N Positions + ttk.Label(shap_frame, font=("Century Gothic", 12), text="Top N Features to Show:").grid(row=1, column=0, padx=5, pady=5, sticky=tk.W) + self.n_positions_var = tk.IntVar(value=10) + ttk.Spinbox(shap_frame, from_=1, to=100, textvariable=self.n_positions_var, width=48).grid(row=1, column=1, padx=5, pady=5, sticky=tk.EW) + + # Use Reference Sites + self.use_ref_sites_var = tk.BooleanVar(value=False) + ttk.Checkbutton(shap_frame, text="Use Reference Numbering (e.g., Bovine Rhodopsin positions)", variable=self.use_ref_sites_var).grid(row=2, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + # Filetype + ttk.Label(shap_frame, font=("Century Gothic", 12), text="Save Visualizations As:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) + self.shap_save_as_var = tk.StringVar(value=self.viz_ftyp_choices[0]) + ttk.Combobox(shap_frame, textvariable=self.shap_save_as_var, values=self.viz_ftyp_choices, state="readonly", width=47).grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) + + + # --- Run Button --- + btn_text = "Run OPTICS Predictions" if self.mode == 'predictions' else "Run SHAP Analysis" + self.run_button = ttk.Button(scrollable_frame, text=btn_text, command=self.start_run_thread) + self.run_button.grid(row=current_row, column=0, columnspan=3, padx=5, pady=20) + current_row += 1 + + # --- Status/Output Area --- + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Log:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + current_row += 1 + self.output_text = scrolledtext.ScrolledText(scrollable_frame, wrap=tk.WORD, height=15, width=80, font=(default_font_family, default_font_size)) + self.output_text.grid(row=current_row, column=0, columnspan=3, padx=5, pady=5, sticky=tk.NSEW) + self.output_text.configure(state='disabled') + + scrollable_frame.columnconfigure(1, weight=1) + + # Redirect stdout and stderr + sys.stdout = TextRedirector(self.output_text, "stdout") + sys.stderr = TextRedirector(self.output_text, "stderr") + + # Loading Screen placeholder + self.loading_screen = None + + def toggle_theme(self): + if self.dark_mode_enabled: + sv_ttk.set_theme("light") + self.theme_toggle_button.configure(text="Toggle Dark Mode") + self.dark_mode_enabled = False + else: + sv_ttk.set_theme("dark") + self.theme_toggle_button.configure(text="Toggle Light Mode") + self.dark_mode_enabled = True + + def browse_input_file(self): + filename = filedialog.askopenfilename(title="Select Input FASTA File", + filetypes=(("FASTA files", "*.fasta *.fa *.fna *.faa *.fas"), + ("Text files", "*.txt"), + ("All files", "*.*"))) + if filename: + self.input_file_var.set(filename) + + def browse_output_dir(self): + dirname = filedialog.askdirectory(title="Select Output Directory") + if dirname: + self.output_dir_var.set(dirname) + + def browse_custom_ref_file(self): + filename = filedialog.askopenfilename(title="Select Custom Reference File", + filetypes=(("FASTA files", "*.fasta *.fa *.fna *.faa *.fas"), + ("All files", "*.*"))) + if filename: + self.custom_ref_file_var.set(filename) + + def toggle_blastp_options(self): + state = tk.NORMAL if self.blastp_enabled_var.get() else tk.DISABLED + self.blastp_report_entry.configure(state=state) + self.refseq_combo.configure(state="readonly" if state == tk.NORMAL else tk.DISABLED) + self.toggle_custom_ref_file() + + def toggle_custom_ref_file(self, event=None): + if not hasattr(self, 'blastp_enabled_var'): return + + blastp_on = self.blastp_enabled_var.get() + custom_ref_selected = self.refseq_var.get() == "custom" + + if blastp_on and custom_ref_selected: + self.custom_ref_file_entry.configure(state=tk.NORMAL) + self.custom_ref_file_button.configure(state=tk.NORMAL) + else: + self.custom_ref_file_entry.configure(state=tk.DISABLED) + self.custom_ref_file_button.configure(state=tk.DISABLED) + if not custom_ref_selected: + self.custom_ref_file_var.set("") + + def toggle_bootstrap_options(self): + bootstrap_state = tk.NORMAL if self.bootstrap_enabled_var.get() else tk.DISABLED + self.visualize_check.configure(state=bootstrap_state) + + visualize_state = tk.NORMAL if (self.bootstrap_enabled_var.get() and self.visualize_bootstrap_var.get()) else tk.DISABLED + self.bootstrap_viz_entry.configure(state=visualize_state) + self.xaxis_check.configure(state=visualize_state) + self.fytp_combo.configure(state="readonly" if visualize_state == tk.NORMAL else tk.DISABLED) + + + def log_message(self, message): + self.output_text.configure(state='normal') + self.output_text.insert(tk.END, message + "\n") + self.output_text.see(tk.END) + self.output_text.configure(state='disabled') + self.update_idletasks() + + def start_run_thread(self): + # Basic validation + if not self.input_file_var.get(): + messagebox.showerror("Input Error", "Please specify an input sequence/FASTA file.") + return + # Create default output dir if not specified + if not self.output_dir_var.get(): + self.output_dir_var.set(os.path.join(os.getcwd(), 'prediction_outputs')) + + self.run_button.config(state=tk.DISABLED) + self.output_text.configure(state='normal') + self.output_text.delete(1.0, tk.END) + self.output_text.configure(state='disabled') + + log_txt = "Starting OPTICS Predictions..." if self.mode == 'predictions' else "Starting SHAP Analysis..." + self.log_message(log_txt) + + self.loading_screen = HumanEyeLoadingScreen(self) + self.loading_screen.start_animation() + + thread = threading.Thread(target=self.run_predictions_logic, daemon=True) + thread.start() + + def run_predictions_logic(self): + try: + # Common arguments + input_val = self.input_file_var.get() + pred_dir_val = self.output_dir_var.get() + output_val = self.prediction_prefix_var.get() + if not output_val: output_val = "optics_results" + + version_val = self.version_var.get() + model_val = self.model_var.get() + encoding_val = self.encoding_var.get() + + if self.mode == 'predictions': + tol_non_stan_aa = self.non_standard_aa_var.get() + tol_incomp_seqs = self.incomp_seqs_var.get() + + blastp_val = self.blastp_enabled_var.get() + iden_report_val = self.blastp_report_var.get() if blastp_val else None + refseq_val = self.refseq_var.get() if blastp_val else "bovine" + reffile_val = self.custom_ref_file_var.get() if blastp_val and self.refseq_var.get() == "custom" else None + + bootstrap_val = self.bootstrap_enabled_var.get() + visualize_bootstrap_val = self.visualize_bootstrap_var.get() if bootstrap_val else False + bootstrap_viz_file_val = self.bootstrap_viz_file_var.get() if bootstrap_val and visualize_bootstrap_val else None + viz_ftyp_val = self.bootstrap_fytp_var.get() if bootstrap_val and visualize_bootstrap_val else None + xaxis_val = self.viz_xaxis_scale.get() if bootstrap_val and visualize_bootstrap_val else None + + pred_df, output_file_path = run_optics_predictions( + input_sequence=input_val, + pred_dir=pred_dir_val, + output=output_val, + model=model_val, + encoding_method=encoding_val, + blastp=blastp_val, + iden_report=iden_report_val, + refseq=refseq_val, + reffile=reffile_val, + bootstrap=bootstrap_val, + visualize_bootstrap=visualize_bootstrap_val, + bootstrap_viz_file=bootstrap_viz_file_val, + save_as=viz_ftyp_val, + full_spectrum_xaxis=xaxis_val, + model_version=version_val, + tolerate_non_standard_aa=tol_non_stan_aa, + tolerate_incomplete_seqs=tol_incomp_seqs + ) + + self.log_message(f"\n--- Predictions Complete ---") + if output_file_path: + messagebox.showinfo("Success", f"OPTICS predictions completed successfully!\nResults are in: {os.path.dirname(output_file_path)}") + + elif self.mode == 'shap': + # SHAP args + shap_mode = self.shap_mode_var.get() + n_pos = self.n_positions_var.get() + use_ref = self.use_ref_sites_var.get() + save_as = self.shap_save_as_var.get() + + generate_shap_explanation( + input_file=input_val, + pred_dir=pred_dir_val, + output=output_val, + save_as=save_as, + model=model_val, + encoding_method=encoding_val, + model_version=version_val, + cmd_line="GUI_Execution", + mode=shap_mode, + n_positions=n_pos, + use_reference_sites=use_ref + ) + self.log_message(f"\n--- SHAP Analysis Complete ---") + messagebox.showinfo("Success", f"SHAP analysis completed successfully!\nResults are in: {pred_dir_val}") + + except Exception as e: + self.log_message(f"\n--- ERROR ---") + self.log_message(f"An error occurred: {str(e)}") + import traceback + self.log_message(f"Traceback:\n{traceback.format_exc()}") + messagebox.showerror("Error", f"An error occurred: {e}") + finally: + self.run_button.config(state=tk.NORMAL) + if self.loading_screen: + self.after(0, self.loading_screen.stop_animation) + + +class TextRedirector(object): + def __init__(self, widget, tag="stdout"): + self.widget = widget + self.tag = tag + + def write(self, str_): + self.widget.configure(state='normal') + self.widget.insert(tk.END, str_, (self.tag,)) + self.widget.see(tk.END) + self.widget.configure(state='disabled') + self.widget.update_idletasks() + + def flush(self): + pass + + +def main(): + # 1. Run Selector + selector = ModeSelector() + selector.mainloop() + + # 2. Get Selection + mode = selector.selected_mode + + # 3. Launch Main App if selection was made + if mode: + app = OpticsGUI(mode=mode) + app.mainloop() + +if __name__ == "__main__": + script_dir = os.path.dirname(os.path.abspath(__file__)) + if script_dir not in sys.path: + sys.path.insert(0, script_dir) + + main() \ No newline at end of file diff --git a/run_optics_gui_v3.py b/run_optics_gui_v3.py new file mode 100644 index 00000000..c26154ca --- /dev/null +++ b/run_optics_gui_v3.py @@ -0,0 +1,758 @@ +import tkinter as tk +import tkinter.font as tkFont +import sv_ttk +from tkinter import ttk, filedialog, scrolledtext, messagebox +import threading +import sys +import os +import math +import random + +import warnings +warnings.filterwarnings("ignore") +warnings.simplefilter('ignore') + +# Attempt to import the run_optics_predictions function +try: + from optics_predictions import run_optics_predictions +except ImportError: + messagebox.showerror("Import Error", "Could not import 'run_optics_predictions' from 'optics_predictions.py'. Make sure the script is in the same directory.") + sys.exit(1) + +# Attempt to import the generate_shap_explanation function +try: + from optics_shap import generate_shap_explanation +except ImportError: + print("Warning: Could not import 'generate_shap_explanation' from 'optics_shap.py'. SHAP mode will fail if selected.") + +# Attempt to import the run_structural_mapping function +try: + from optics_structure_map import run_structural_mapping +except ImportError: + print("Warning: Could not import 'run_structural_mapping' from 'optics_structure_map.py'. Structure Mapping mode will fail if selected.") + + +# --- Eye Animation Class --- +class HumanEyeLoadingScreen(tk.Toplevel): + """ + A modal loading screen with an animated eye that looks around in multiple + directions. The loading text has an animated ellipsis. + """ + def __init__(self, parent): + super().__init__(parent) + self.parent = parent + self.withdraw() # Hide window until it's configured + + # --- Configuration --- + self.title("Processing...") + self.geometry("400x300") + self.resizable(False, False) + self.transient(parent) + self.grab_set() + + # Center the loading screen over the parent window + parent_x = parent.winfo_x() + parent_y = parent.winfo_y() + parent_width = parent.winfo_width() + parent_height = parent.winfo_height() + self.after(10, lambda: self.geometry(f"400x300+{parent_x + (parent_width // 2) - 200}+{parent_y + (parent_height // 2) - 150}")) + + # --- Widgets --- + self.canvas = tk.Canvas(self, bg="#1c1c1c", highlightthickness=0) + self.canvas.pack(fill=tk.BOTH, expand=True) + + self.loading_label = ttk.Label( + self.canvas, + text="Processing", + font=("Century Gothic", 14, "bold"), + background="#1c1c1c", + foreground="white" # Set a static white color + ) + self.canvas.create_window(200, 265, window=self.loading_label) + + # --- Animation State --- + self.animation_running = False + self.animation_id = None + self.ellipsis_count = 0 + + # --- Eye Animation Specifics --- + self.gaze_current_x = 0.0 + self.gaze_target_x = 0.0 + self.gaze_current_y = 0.0 + self.gaze_target_y = 0.0 + + self.gaze_positions = [ + (-40, -25), (45, 20), (0, 0), (30, 25), (-20, -20), (0, 0), + (-45, 0), (45, 0), (0, 30), (0, -30), (0, 0) + ] + self.gaze_position_index = 0 + self.gaze_timer = 100 + + self.lift() + self.deiconify() + + def start_animation(self): + """Starts the eye and text animations.""" + self.animation_running = True + self.animate_eye() + self.animate_text() + + def stop_animation(self): + """Stops the animations and destroys the window.""" + self.animation_running = False + if self.animation_id: + self.after_cancel(self.animation_id) + self.destroy() + + def animate_text(self): + """Animates an ellipsis on the loading text.""" + if not self.animation_running: return + self.ellipsis_count = (self.ellipsis_count + 1) % 4 + dots = "." * self.ellipsis_count + self.loading_label.config(text=f"Processing{dots}") + self.after(400, self.animate_text) + + def animate_eye(self): + """The main animation loop for the eye's movement.""" + if not self.animation_running: return + + self.gaze_timer -= 1 + if self.gaze_timer <= 0: + self.gaze_position_index = (self.gaze_position_index + 1) % len(self.gaze_positions) + self.gaze_target_x, self.gaze_target_y = self.gaze_positions[self.gaze_position_index] + + if self.gaze_target_x == 0 and self.gaze_target_y == 0: + self.gaze_timer = random.randint(100, 150) + else: + self.gaze_timer = random.randint(40, 80) + + self.gaze_current_x += (self.gaze_target_x - self.gaze_current_x) * 0.1 + self.gaze_current_y += (self.gaze_target_y - self.gaze_current_y) * 0.1 + + self.canvas.delete("all") + self.canvas.create_window(200, 265, window=self.loading_label) + center_x, center_y = 200, 130 + + self.canvas.create_oval(center_x - 110, center_y - 80, center_x + 110, center_y + 80, fill="#111111", outline="") + self.canvas.create_oval(center_x - 100, center_y - 70, center_x + 100, center_y + 70, fill="#EAEAEA", outline="") + + iris_x = center_x + self.gaze_current_x + iris_y = center_y + self.gaze_current_y + iris_radius = 35 + pupil_radius = 15 + self.canvas.create_oval(iris_x - iris_radius, iris_y - iris_radius, iris_x + iris_radius, iris_y + iris_radius, fill="#5DADE2", outline="") + self.canvas.create_oval(iris_x - pupil_radius, iris_y - pupil_radius, iris_x + pupil_radius, iris_y + pupil_radius, fill="black", outline="") + + highlight_x = iris_x + 10 + highlight_y = iris_y - 10 + self.canvas.create_oval(highlight_x - 5, highlight_y - 5, highlight_x + 3, highlight_y + 3, fill="white", outline="") + + self.animation_id = self.after(30, self.animate_eye) + + +class ModeSelector(tk.Tk): + """ + Startup dialog to select between Predictions, SHAP analysis, and Structure Mapping. + """ + def __init__(self): + super().__init__() + self.title("Select OPTICS Mode") + self.geometry("500x500") + self.resizable(False, False) + self.selected_mode = None + + sv_ttk.set_theme("dark") + + # Logo + self.logo_icon_display_path = "./data/logo/optics_logo_resized.png" + try: + self.logo_icon_img = tk.PhotoImage(file=self.logo_icon_display_path) + self.iconphoto(True, self.logo_icon_img) + except tk.TclError: + self.logo_icon_img = None + + main_frame = ttk.Frame(self, padding="20") + main_frame.pack(fill=tk.BOTH, expand=True) + + if self.logo_icon_img: + logo_lbl = ttk.Label(main_frame, image=self.logo_icon_img) + logo_lbl.pack(pady=(0, 10)) + + title_lbl = ttk.Label(main_frame, text="Welcome to OPTICS", font=("Century Gothic", 18, "bold")) + title_lbl.pack(pady=10) + + subtitle_lbl = ttk.Label(main_frame, text="Select your analysis pipeline:", font=("Century Gothic", 12)) + subtitle_lbl.pack(pady=(0, 20)) + + # Buttons + style = ttk.Style() + style.configure("Big.TButton", font=("Century Gothic", 12)) + + pred_btn = ttk.Button(main_frame, text="Standard Predictions\n(Spectral Tuning)", style="Big.TButton", command=self.select_predictions) + pred_btn.pack(fill=tk.X, pady=10, ipady=10) + + shap_btn = ttk.Button(main_frame, text="SHAP Interpretation\n(Feature Importance)", style="Big.TButton", command=self.select_shap) + shap_btn.pack(fill=tk.X, pady=10, ipady=10) + + struct_btn = ttk.Button(main_frame, text="Structure Mapping\n(3D Visualization)", style="Big.TButton", command=self.select_structure) + struct_btn.pack(fill=tk.X, pady=10, ipady=10) + + # Centering + self.eval('tk::PlaceWindow . center') + + def select_predictions(self): + self.selected_mode = 'predictions' + self.destroy() + + def select_shap(self): + self.selected_mode = 'shap' + self.destroy() + + def select_structure(self): + self.selected_mode = 'structure' + self.destroy() + + +class OpticsGUI(tk.Tk): + def __init__(self, mode='predictions'): + super().__init__() + self.mode = mode + + if self.mode == 'predictions': + title_suffix = "Predictions" + elif self.mode == 'shap': + title_suffix = "SHAP Analysis" + else: + title_suffix = "Structure Mapping" + + self.title(f"OPTICS: {title_suffix}") + self.geometry("1000x950") + + # --- Define a default font --- + default_font_family = "Century Gothic" + default_font_size = 10 + style = ttk.Style(self) + style.configure(".", font=(default_font_family, default_font_size)) + + # --- Logo and Window Icon --- + self.logo_icon_display_path = "./data/logo/optics_logo_resized.png" + try: + self.logo_icon_img = tk.PhotoImage(file=self.logo_icon_display_path) + self.iconphoto(True, self.logo_icon_img) + except tk.TclError: + self.logo_icon_img = None + + sv_ttk.set_theme("dark") + self.dark_mode_enabled = True + + # --- Choices --- + self.version_choices = ['vpod_1.3'] + self.model_choices = ['whole-dataset', 'wildtype', 'vertebrate', 'invertebrate', + 'wildtype-vert', 'type-one', 'whole-dataset-mnm', + 'wildtype-mnm', 'vertebrate-mnm', 'invertebrate-mnm', + 'wildtype-vert-mnm', 'wildtype-mut'] + self.encoding_choices = ['one_hot', 'aa_prop'] + self.refseq_choices = ['bovine', 'squid', 'microbe', 'custom'] + self.viz_ftyp_choices = ['svg', 'png', 'pdf'] + + # SHAP specific choices + self.shap_mode_choices = ['both', 'comparison', 'single'] + + # --- Top Frame --- + top_bar_frame = ttk.Frame(self) + top_bar_frame.pack(fill=tk.X, padx=10, pady=(10,0)) + + header_text = f"OPTICS: {title_suffix}" + if self.logo_icon_img: + gui_logo_label = ttk.Label(top_bar_frame, image=self.logo_icon_img, text=header_text, font=("Century Gothic", 16, "bold"), compound="left") + gui_logo_label.pack(side=tk.LEFT, padx=(0,10)) + gui_logo_label.image = self.logo_icon_img + else: + gui_logo_label = ttk.Label(top_bar_frame, text=header_text, font=("Century Gothic", 16, "bold")) + gui_logo_label.pack(side=tk.LEFT, padx=(0,10)) + + + self.theme_toggle_button = ttk.Button(top_bar_frame, text="Toggle Light Mode", command=self.toggle_theme) + self.theme_toggle_button.pack(side=tk.RIGHT, padx=(0,5)) + + # --- Main Frame --- + main_frame = ttk.Frame(self, padding="10") + main_frame.pack(fill=tk.BOTH, expand=True) + + canvas = tk.Canvas(main_frame) + scrollbar = ttk.Scrollbar(main_frame, orient="vertical", command=canvas.yview) + scrollable_frame = ttk.Frame(canvas) + + scrollable_frame.bind( + "", + lambda e: canvas.configure( + scrollregion=canvas.bbox("all") + ) + ) + + canvas.create_window((0, 0), window=scrollable_frame, anchor="nw") + canvas.configure(yscrollcommand=scrollbar.set) + + canvas.pack(side="left", fill="both", expand=True) + scrollbar.pack(side="right", fill="y") + + # --- INPUT WIDGETS --- + current_row = 0 + scrollable_frame.columnconfigure(1, weight=1) + + # 1. Output Directory (Common to all modes) + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Directory:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.output_dir_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.output_dir_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + ttk.Button(scrollable_frame, text="Browse...", command=self.browse_output_dir).grid(row=current_row, column=2, padx=5, pady=5) + current_row += 1 + + if self.mode in ['predictions', 'shap']: + # -- ML Workflow Inputs -- + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Input Sequence/FASTA File:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.input_file_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.input_file_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + ttk.Button(scrollable_frame, text="Browse...", command=self.browse_input_file).grid(row=current_row, column=2, padx=5, pady=5) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Filename Prefix:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.prediction_prefix_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.prediction_prefix_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Model Version:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.version_var = tk.StringVar(value=self.version_choices[0]) + ttk.Combobox(scrollable_frame, textvariable=self.version_var, values=self.version_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Model:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.model_var = tk.StringVar(value=self.model_choices[0]) + ttk.Combobox(scrollable_frame, textvariable=self.model_var, values=self.model_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Encoding Method:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.encoding_var = tk.StringVar(value=self.encoding_choices[1]) + ttk.Combobox(scrollable_frame, textvariable=self.encoding_var, values=self.encoding_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + elif self.mode == 'structure': + # -- Structure Mapping Inputs -- + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="SHAP Analysis CSV File:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.shap_csv_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.shap_csv_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + ttk.Button(scrollable_frame, text="Browse...", command=self.browse_shap_csv).grid(row=current_row, column=2, padx=5, pady=5) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="PDB File or ID (e.g. 1U19):").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.pdb_input_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.pdb_input_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + ttk.Button(scrollable_frame, text="Browse File...", command=self.browse_pdb_file).grid(row=current_row, column=2, padx=5, pady=5) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Alignment Offset (Integer):").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.offset_var = tk.IntVar(value=0) + ttk.Spinbox(scrollable_frame, from_=-1000, to=1000, textvariable=self.offset_var, width=58).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + ttk.Label(scrollable_frame, text="(Adjusts residue numbering to match PDB. Default 0)", font=("Century Gothic", 9)).grid(row=current_row, column=1, padx=5, pady=0, sticky=tk.W) + current_row += 1 + + + # --- MODE SPECIFIC OPTIONS --- + + if self.mode == 'predictions': + # -- Prediction specific options -- + + # Tolerances + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Tolerate Non-standard AAs:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.non_standard_aa_var = tk.BooleanVar(value=True) + self.non_standard_aa_check = ttk.Checkbutton(scrollable_frame, text="Enable to predict on sequences with non-standard amino-acids", variable=self.non_standard_aa_var) + self.non_standard_aa_check.grid(row=current_row, column=1, columnspan=2, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Tolerate Incomplete Seqs:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.incomp_seqs_var = tk.BooleanVar(value=False) + self.incomp_seqs_check = ttk.Checkbutton(scrollable_frame, text="Enable to predict on sequences outside range of 250-650 amino-acids", variable=self.incomp_seqs_var) + self.incomp_seqs_check.grid(row=current_row, column=1, columnspan=2, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + # BLASTp Frame + blastp_frame = ttk.LabelFrame(scrollable_frame, text="BLASTp Options", padding="10") + blastp_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) + current_row += 1 + + self.blastp_enabled_var = tk.BooleanVar(value=True) + self.blastp_check = ttk.Checkbutton(blastp_frame, text="Enable BLASTp Analysis", variable=self.blastp_enabled_var, command=self.toggle_blastp_options) + self.blastp_check.grid(row=0, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + ttk.Label(blastp_frame, font=("Century Gothic", 12), text="BLASTp Report Filename:").grid(row=1, column=0, padx=5, pady=5, sticky=tk.W) + self.blastp_report_var = tk.StringVar(value="blastp_report.txt") + self.blastp_report_entry = ttk.Entry(blastp_frame, textvariable=self.blastp_report_var, width=50) + self.blastp_report_entry.grid(row=1, column=1, padx=5, pady=5, sticky=tk.EW) + + ttk.Label(blastp_frame, font=("Century Gothic", 12), text="Reference Sequence:").grid(row=2, column=0, padx=5, pady=5, sticky=tk.W) + self.refseq_var = tk.StringVar(value=self.refseq_choices[0]) + self.refseq_combo = ttk.Combobox(blastp_frame, textvariable=self.refseq_var, values=self.refseq_choices, state="readonly", width=47) + self.refseq_combo.grid(row=2, column=1, padx=5, pady=5, sticky=tk.EW) + self.refseq_combo.bind("<>", self.toggle_custom_ref_file) + + ttk.Label(blastp_frame, font=("Century Gothic", 12), text="Custom Reference File:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) + self.custom_ref_file_var = tk.StringVar() + self.custom_ref_file_entry = ttk.Entry(blastp_frame, textvariable=self.custom_ref_file_var, width=50) + self.custom_ref_file_entry.grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) + self.custom_ref_file_button = ttk.Button(blastp_frame, text="Browse...", command=self.browse_custom_ref_file) + self.custom_ref_file_button.grid(row=3, column=2, padx=5, pady=5) + + # Bootstrap Frame + bootstrap_frame = ttk.LabelFrame(scrollable_frame, text="Bootstrap Options", padding="10") + bootstrap_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) + current_row += 1 + + self.bootstrap_enabled_var = tk.BooleanVar(value=True) + self.bootstrap_check = ttk.Checkbutton(bootstrap_frame, text="Enable Bootstrap Predictions", variable=self.bootstrap_enabled_var, command=self.toggle_bootstrap_options) + self.bootstrap_check.grid(row=0, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + self.visualize_bootstrap_var = tk.BooleanVar(value=True) + self.visualize_check = ttk.Checkbutton(bootstrap_frame, text="Visualize Bootstrap Predictions", variable=self.visualize_bootstrap_var, command=self.toggle_bootstrap_options) + self.visualize_check.grid(row=1, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + ttk.Label(bootstrap_frame, font=("Century Gothic", 12), text="Bootstrap Viz Filename:").grid(row=2, column=0, padx=5, pady=5, sticky=tk.W) + self.bootstrap_viz_file_var = tk.StringVar(value="bootstrap_viz") + self.bootstrap_viz_entry = ttk.Entry(bootstrap_frame, textvariable=self.bootstrap_viz_file_var, width=50) + self.bootstrap_viz_entry.grid(row=2, column=1, padx=5, pady=5, sticky=tk.EW) + + ttk.Label(bootstrap_frame, font=("Century Gothic", 12), text="Viz Filetype:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) + self.bootstrap_fytp_var = tk.StringVar(value=self.viz_ftyp_choices[0]) + self.fytp_combo = ttk.Combobox(bootstrap_frame, textvariable=self.bootstrap_fytp_var, values=self.viz_ftyp_choices, state="readonly", width=47) + self.fytp_combo.grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) + + self.viz_xaxis_scale = tk.BooleanVar(value=False) + self.xaxis_check = ttk.Checkbutton(bootstrap_frame, text="Enable Full-Spectrum X-axis (300-650nm)", variable=self.viz_xaxis_scale) + self.xaxis_check.grid(row=4, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + # Init options + self.toggle_blastp_options() + self.toggle_bootstrap_options() + self.toggle_custom_ref_file() + + elif self.mode == 'shap': + # -- SHAP specific options -- + shap_frame = ttk.LabelFrame(scrollable_frame, text="SHAP Interpretation Options", padding="10") + shap_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) + current_row += 1 + + # Analysis Mode + ttk.Label(shap_frame, font=("Century Gothic", 12), text="Analysis Mode:").grid(row=0, column=0, padx=5, pady=5, sticky=tk.W) + self.shap_mode_var = tk.StringVar(value=self.shap_mode_choices[0]) + ttk.Combobox(shap_frame, textvariable=self.shap_mode_var, values=self.shap_mode_choices, state="readonly", width=47).grid(row=0, column=1, padx=5, pady=5, sticky=tk.EW) + + # N Positions + ttk.Label(shap_frame, font=("Century Gothic", 12), text="Top N Features to Show:").grid(row=1, column=0, padx=5, pady=5, sticky=tk.W) + self.n_positions_var = tk.IntVar(value=10) + ttk.Spinbox(shap_frame, from_=1, to=100, textvariable=self.n_positions_var, width=48).grid(row=1, column=1, padx=5, pady=5, sticky=tk.EW) + + # Use Reference Sites + self.use_ref_sites_var = tk.BooleanVar(value=False) + ttk.Checkbutton(shap_frame, text="Use Reference Numbering (e.g., Bovine Rhodopsin positions)", variable=self.use_ref_sites_var).grid(row=2, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + # Filetype + ttk.Label(shap_frame, font=("Century Gothic", 12), text="Save Visualizations As:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) + self.shap_save_as_var = tk.StringVar(value=self.viz_ftyp_choices[0]) + ttk.Combobox(shap_frame, textvariable=self.shap_save_as_var, values=self.viz_ftyp_choices, state="readonly", width=47).grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) + + + # --- Run Button --- + if self.mode == 'predictions': + btn_text = "Run OPTICS Predictions" + elif self.mode == 'shap': + btn_text = "Run SHAP Analysis" + else: + btn_text = "Run Structure Mapping" + + self.run_button = ttk.Button(scrollable_frame, text=btn_text, command=self.start_run_thread) + self.run_button.grid(row=current_row, column=0, columnspan=3, padx=5, pady=20) + current_row += 1 + + # --- Status/Output Area --- + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Log:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + current_row += 1 + self.output_text = scrolledtext.ScrolledText(scrollable_frame, wrap=tk.WORD, height=15, width=80, font=(default_font_family, default_font_size)) + self.output_text.grid(row=current_row, column=0, columnspan=3, padx=5, pady=5, sticky=tk.NSEW) + self.output_text.configure(state='disabled') + + scrollable_frame.columnconfigure(1, weight=1) + + # Redirect stdout and stderr + sys.stdout = TextRedirector(self.output_text, "stdout") + sys.stderr = TextRedirector(self.output_text, "stderr") + + # Loading Screen placeholder + self.loading_screen = None + + def toggle_theme(self): + if self.dark_mode_enabled: + sv_ttk.set_theme("light") + self.theme_toggle_button.configure(text="Toggle Dark Mode") + self.dark_mode_enabled = False + else: + sv_ttk.set_theme("dark") + self.theme_toggle_button.configure(text="Toggle Light Mode") + self.dark_mode_enabled = True + + def browse_input_file(self): + filename = filedialog.askopenfilename(title="Select Input FASTA File", + filetypes=(("FASTA files", "*.fasta *.fa *.fna *.faa *.fas"), + ("Text files", "*.txt"), + ("All files", "*.*"))) + if filename: + self.input_file_var.set(filename) + + def browse_output_dir(self): + dirname = filedialog.askdirectory(title="Select Output Directory") + if dirname: + self.output_dir_var.set(dirname) + + def browse_custom_ref_file(self): + filename = filedialog.askopenfilename(title="Select Custom Reference File", + filetypes=(("FASTA files", "*.fasta *.fa *.fna *.faa *.fas"), + ("All files", "*.*"))) + if filename: + self.custom_ref_file_var.set(filename) + + # --- New Browsers for Structure Mode --- + def browse_shap_csv(self): + filename = filedialog.askopenfilename(title="Select SHAP Analysis CSV", + filetypes=(("CSV files", "*.csv"), + ("All files", "*.*"))) + if filename: + self.shap_csv_var.set(filename) + + def browse_pdb_file(self): + filename = filedialog.askopenfilename(title="Select PDB File", + filetypes=(("PDB files", "*.pdb"), + ("All files", "*.*"))) + if filename: + self.pdb_input_var.set(filename) + + + def toggle_blastp_options(self): + state = tk.NORMAL if self.blastp_enabled_var.get() else tk.DISABLED + self.blastp_report_entry.configure(state=state) + self.refseq_combo.configure(state="readonly" if state == tk.NORMAL else tk.DISABLED) + self.toggle_custom_ref_file() + + def toggle_custom_ref_file(self, event=None): + if not hasattr(self, 'blastp_enabled_var'): return + + blastp_on = self.blastp_enabled_var.get() + custom_ref_selected = self.refseq_var.get() == "custom" + + if blastp_on and custom_ref_selected: + self.custom_ref_file_entry.configure(state=tk.NORMAL) + self.custom_ref_file_button.configure(state=tk.NORMAL) + else: + self.custom_ref_file_entry.configure(state=tk.DISABLED) + self.custom_ref_file_button.configure(state=tk.DISABLED) + if not custom_ref_selected: + self.custom_ref_file_var.set("") + + def toggle_bootstrap_options(self): + bootstrap_state = tk.NORMAL if self.bootstrap_enabled_var.get() else tk.DISABLED + self.visualize_check.configure(state=bootstrap_state) + + visualize_state = tk.NORMAL if (self.bootstrap_enabled_var.get() and self.visualize_bootstrap_var.get()) else tk.DISABLED + self.bootstrap_viz_entry.configure(state=visualize_state) + self.xaxis_check.configure(state=visualize_state) + self.fytp_combo.configure(state="readonly" if visualize_state == tk.NORMAL else tk.DISABLED) + + + def log_message(self, message): + self.output_text.configure(state='normal') + self.output_text.insert(tk.END, message + "\n") + self.output_text.see(tk.END) + self.output_text.configure(state='disabled') + self.update_idletasks() + + def start_run_thread(self): + # Validation based on mode + if self.mode in ['predictions', 'shap']: + if not self.input_file_var.get(): + messagebox.showerror("Input Error", "Please specify an input sequence/FASTA file.") + return + elif self.mode == 'structure': + if not self.shap_csv_var.get(): + messagebox.showerror("Input Error", "Please specify the SHAP Analysis CSV file.") + return + if not self.pdb_input_var.get(): + messagebox.showerror("Input Error", "Please specify a PDB file path or ID.") + return + + # Create default output dir if not specified + if not self.output_dir_var.get(): + self.output_dir_var.set(os.path.join(os.getcwd(), 'prediction_outputs')) + + self.run_button.config(state=tk.DISABLED) + self.output_text.configure(state='normal') + self.output_text.delete(1.0, tk.END) + self.output_text.configure(state='disabled') + + if self.mode == 'predictions': + log_txt = "Starting OPTICS Predictions..." + elif self.mode == 'shap': + log_txt = "Starting SHAP Analysis..." + else: + log_txt = "Starting Structure Mapping..." + + self.log_message(log_txt) + + self.loading_screen = HumanEyeLoadingScreen(self) + self.loading_screen.start_animation() + + thread = threading.Thread(target=self.run_predictions_logic, daemon=True) + thread.start() + + def run_predictions_logic(self): + try: + # Common arguments + pred_dir_val = self.output_dir_var.get() + + if self.mode == 'predictions': + input_val = self.input_file_var.get() + output_val = self.prediction_prefix_var.get() + if not output_val: output_val = "optics_results" + version_val = self.version_var.get() + model_val = self.model_var.get() + encoding_val = self.encoding_var.get() + tol_non_stan_aa = self.non_standard_aa_var.get() + tol_incomp_seqs = self.incomp_seqs_var.get() + + blastp_val = self.blastp_enabled_var.get() + iden_report_val = self.blastp_report_var.get() if blastp_val else None + refseq_val = self.refseq_var.get() if blastp_val else "bovine" + reffile_val = self.custom_ref_file_var.get() if blastp_val and self.refseq_var.get() == "custom" else None + + bootstrap_val = self.bootstrap_enabled_var.get() + visualize_bootstrap_val = self.visualize_bootstrap_var.get() if bootstrap_val else False + bootstrap_viz_file_val = self.bootstrap_viz_file_var.get() if bootstrap_val and visualize_bootstrap_val else None + viz_ftyp_val = self.bootstrap_fytp_var.get() if bootstrap_val and visualize_bootstrap_val else None + xaxis_val = self.viz_xaxis_scale.get() if bootstrap_val and visualize_bootstrap_val else None + + pred_df, output_file_path = run_optics_predictions( + input_sequence=input_val, + pred_dir=pred_dir_val, + output=output_val, + model=model_val, + encoding_method=encoding_val, + blastp=blastp_val, + iden_report=iden_report_val, + refseq=refseq_val, + reffile=reffile_val, + bootstrap=bootstrap_val, + visualize_bootstrap=visualize_bootstrap_val, + bootstrap_viz_file=bootstrap_viz_file_val, + save_as=viz_ftyp_val, + full_spectrum_xaxis=xaxis_val, + model_version=version_val, + tolerate_non_standard_aa=tol_non_stan_aa, + tolerate_incomplete_seqs=tol_incomp_seqs + ) + + self.log_message(f"\n--- Predictions Complete ---") + if output_file_path: + messagebox.showinfo("Success", f"OPTICS predictions completed successfully!\nResults are in: {os.path.dirname(output_file_path)}") + + elif self.mode == 'shap': + input_val = self.input_file_var.get() + output_val = self.prediction_prefix_var.get() + if not output_val: output_val = "optics_results" + version_val = self.version_var.get() + model_val = self.model_var.get() + encoding_val = self.encoding_var.get() + shap_mode = self.shap_mode_var.get() + n_pos = self.n_positions_var.get() + use_ref = self.use_ref_sites_var.get() + save_as = self.shap_save_as_var.get() + + generate_shap_explanation( + input_file=input_val, + pred_dir=pred_dir_val, + output=output_val, + save_as=save_as, + model=model_val, + encoding_method=encoding_val, + model_version=version_val, + cmd_line="GUI_Execution", + mode=shap_mode, + n_positions=n_pos, + use_reference_sites=use_ref + ) + self.log_message(f"\n--- SHAP Analysis Complete ---") + messagebox.showinfo("Success", f"SHAP analysis completed successfully!\nResults are in: {pred_dir_val}") + + elif self.mode == 'structure': + csv_path = self.shap_csv_var.get() + pdb_input = self.pdb_input_var.get() + offset = self.offset_var.get() + + pdb_out = run_structural_mapping( + shap_csv=csv_path, + pdb_input=pdb_input, + output_dir=pred_dir_val, + offset=offset + ) + + self.log_message(f"\n--- Structure Mapping Complete ---") + if pdb_out: + self.log_message(f"PDB Saved to: {pdb_out}") + messagebox.showinfo("Success", f"Mapping completed successfully!\nSaved PDB to: {pdb_out}") + else: + messagebox.showerror("Error", "Structure mapping failed. Check log for details.") + + + except Exception as e: + self.log_message(f"\n--- ERROR ---") + self.log_message(f"An error occurred: {str(e)}") + import traceback + self.log_message(f"Traceback:\n{traceback.format_exc()}") + messagebox.showerror("Error", f"An error occurred: {e}") + finally: + self.run_button.config(state=tk.NORMAL) + if self.loading_screen: + self.after(0, self.loading_screen.stop_animation) + + +class TextRedirector(object): + def __init__(self, widget, tag="stdout"): + self.widget = widget + self.tag = tag + + def write(self, str_): + self.widget.configure(state='normal') + self.widget.insert(tk.END, str_, (self.tag,)) + self.widget.see(tk.END) + self.widget.configure(state='disabled') + self.widget.update_idletasks() + + def flush(self): + pass + + +def main(): + # 1. Run Selector + selector = ModeSelector() + selector.mainloop() + + # 2. Get Selection + mode = selector.selected_mode + + # 3. Launch Main App if selection was made + if mode: + app = OpticsGUI(mode=mode) + app.mainloop() + +if __name__ == "__main__": + script_dir = os.path.dirname(os.path.abspath(__file__)) + if script_dir not in sys.path: + sys.path.insert(0, script_dir) + + main() \ No newline at end of file diff --git a/run_optics_gui_v4.py b/run_optics_gui_v4.py new file mode 100644 index 00000000..53ef7b17 --- /dev/null +++ b/run_optics_gui_v4.py @@ -0,0 +1,776 @@ +import tkinter as tk +import tkinter.font as tkFont +import sv_ttk +from tkinter import ttk, filedialog, scrolledtext, messagebox +import threading +import sys +import os +import math +import random + +import warnings +warnings.filterwarnings("ignore") +warnings.simplefilter('ignore') + +# Attempt to import the run_optics_predictions function +try: + from optics_predictions import run_optics_predictions +except ImportError: + messagebox.showerror("Import Error", "Could not import 'run_optics_predictions' from 'optics_predictions.py'. Make sure the script is in the same directory.") + sys.exit(1) + +# Attempt to import the generate_shap_explanation function +try: + from optics_shap import generate_shap_explanation +except ImportError: + print("Warning: Could not import 'generate_shap_explanation' from 'optics_shap.py'. SHAP mode will fail if selected.") + +# Attempt to import the run_structural_mapping function +try: + from optics_structure_map import run_structural_mapping +except ImportError: + print("Warning: Could not import 'run_structural_mapping' from 'optics_structure_map.py'. Structure Mapping mode will fail if selected.") + + +# --- Eye Animation Class --- +class HumanEyeLoadingScreen(tk.Toplevel): + """ + A modal loading screen with an animated eye that looks around in multiple + directions. The loading text has an animated ellipsis. + """ + def __init__(self, parent): + super().__init__(parent) + self.parent = parent + self.withdraw() # Hide window until it's configured + + # --- Configuration --- + self.title("Processing...") + self.geometry("400x300") + self.resizable(False, False) + self.transient(parent) + self.grab_set() + + # Center the loading screen over the parent window + parent_x = parent.winfo_x() + parent_y = parent.winfo_y() + parent_width = parent.winfo_width() + parent_height = parent.winfo_height() + self.after(10, lambda: self.geometry(f"400x300+{parent_x + (parent_width // 2) - 200}+{parent_y + (parent_height // 2) - 150}")) + + # --- Widgets --- + self.canvas = tk.Canvas(self, bg="#1c1c1c", highlightthickness=0) + self.canvas.pack(fill=tk.BOTH, expand=True) + + self.loading_label = ttk.Label( + self.canvas, + text="Processing", + font=("Century Gothic", 14, "bold"), + background="#1c1c1c", + foreground="white" # Set a static white color + ) + self.canvas.create_window(200, 265, window=self.loading_label) + + # --- Animation State --- + self.animation_running = False + self.animation_id = None + self.ellipsis_count = 0 + + # --- Eye Animation Specifics --- + self.gaze_current_x = 0.0 + self.gaze_target_x = 0.0 + self.gaze_current_y = 0.0 + self.gaze_target_y = 0.0 + + self.gaze_positions = [ + (-40, -25), (45, 20), (0, 0), (30, 25), (-20, -20), (0, 0), + (-45, 0), (45, 0), (0, 30), (0, -30), (0, 0) + ] + self.gaze_position_index = 0 + self.gaze_timer = 100 + + self.lift() + self.deiconify() + + def start_animation(self): + """Starts the eye and text animations.""" + self.animation_running = True + self.animate_eye() + self.animate_text() + + def stop_animation(self): + """Stops the animations and destroys the window.""" + self.animation_running = False + if self.animation_id: + self.after_cancel(self.animation_id) + self.destroy() + + def animate_text(self): + """Animates an ellipsis on the loading text.""" + if not self.animation_running: return + self.ellipsis_count = (self.ellipsis_count + 1) % 4 + dots = "." * self.ellipsis_count + self.loading_label.config(text=f"Processing{dots}") + self.after(400, self.animate_text) + + def animate_eye(self): + """The main animation loop for the eye's movement.""" + if not self.animation_running: return + + self.gaze_timer -= 1 + if self.gaze_timer <= 0: + self.gaze_position_index = (self.gaze_position_index + 1) % len(self.gaze_positions) + self.gaze_target_x, self.gaze_target_y = self.gaze_positions[self.gaze_position_index] + + if self.gaze_target_x == 0 and self.gaze_target_y == 0: + self.gaze_timer = random.randint(100, 150) + else: + self.gaze_timer = random.randint(40, 80) + + self.gaze_current_x += (self.gaze_target_x - self.gaze_current_x) * 0.1 + self.gaze_current_y += (self.gaze_target_y - self.gaze_current_y) * 0.1 + + self.canvas.delete("all") + self.canvas.create_window(200, 265, window=self.loading_label) + center_x, center_y = 200, 130 + + self.canvas.create_oval(center_x - 110, center_y - 80, center_x + 110, center_y + 80, fill="#111111", outline="") + self.canvas.create_oval(center_x - 100, center_y - 70, center_x + 100, center_y + 70, fill="#EAEAEA", outline="") + + iris_x = center_x + self.gaze_current_x + iris_y = center_y + self.gaze_current_y + iris_radius = 35 + pupil_radius = 15 + self.canvas.create_oval(iris_x - iris_radius, iris_y - iris_radius, iris_x + iris_radius, iris_y + iris_radius, fill="#5DADE2", outline="") + self.canvas.create_oval(iris_x - pupil_radius, iris_y - pupil_radius, iris_x + pupil_radius, iris_y + pupil_radius, fill="black", outline="") + + highlight_x = iris_x + 10 + highlight_y = iris_y - 10 + self.canvas.create_oval(highlight_x - 5, highlight_y - 5, highlight_x + 3, highlight_y + 3, fill="white", outline="") + + self.animation_id = self.after(30, self.animate_eye) + + +class ModeSelector(tk.Tk): + """ + Startup dialog to select between Predictions, SHAP analysis, and Structure Mapping. + """ + def __init__(self): + super().__init__() + self.title("Select OPTICS Mode") + self.geometry("500x500") + self.resizable(False, False) + self.selected_mode = None + + sv_ttk.set_theme("dark") + + # Logo + self.logo_icon_display_path = "./data/logo/optics_logo_resized.png" + try: + self.logo_icon_img = tk.PhotoImage(file=self.logo_icon_display_path) + self.iconphoto(True, self.logo_icon_img) + except tk.TclError: + self.logo_icon_img = None + + main_frame = ttk.Frame(self, padding="20") + main_frame.pack(fill=tk.BOTH, expand=True) + + if self.logo_icon_img: + logo_lbl = ttk.Label(main_frame, image=self.logo_icon_img) + logo_lbl.pack(pady=(0, 10)) + + title_lbl = ttk.Label(main_frame, text="Welcome to OPTICS", font=("Century Gothic", 18, "bold")) + title_lbl.pack(pady=10) + + subtitle_lbl = ttk.Label(main_frame, text="Select your analysis pipeline:", font=("Century Gothic", 12)) + subtitle_lbl.pack(pady=(0, 20)) + + # Buttons + style = ttk.Style() + style.configure("Big.TButton", font=("Century Gothic", 12)) + + pred_btn = ttk.Button(main_frame, text="Standard Predictions\n(λmax & Spectral Tuning)", style="Big.TButton", command=self.select_predictions) + pred_btn.pack(fill=tk.X, pady=10, ipady=10) + + shap_btn = ttk.Button(main_frame, text="SHAP Interpretation\n(Amino-Acid Importance)", style="Big.TButton", command=self.select_shap) + shap_btn.pack(fill=tk.X, pady=10, ipady=10) + + struct_btn = ttk.Button(main_frame, text="Structure Mapping\n(3D Visualization of SHAP)", style="Big.TButton", command=self.select_structure) + struct_btn.pack(fill=tk.X, pady=10, ipady=10) + + # Centering + self.eval('tk::PlaceWindow . center') + + def select_predictions(self): + self.selected_mode = 'predictions' + self.destroy() + + def select_shap(self): + self.selected_mode = 'shap' + self.destroy() + + def select_structure(self): + self.selected_mode = 'structure' + self.destroy() + + +class OpticsGUI(tk.Tk): + def __init__(self, mode='predictions'): + super().__init__() + self.mode = mode + self.wants_to_go_back = False # Flag to track navigation + + if self.mode == 'predictions': + title_suffix = "Predictions" + elif self.mode == 'shap': + title_suffix = "SHAP Analysis" + else: + title_suffix = "Structure Mapping" + + self.title(f"OPTICS: {title_suffix}") + self.geometry("1000x950") + + # --- Define a default font --- + default_font_family = "Century Gothic" + default_font_size = 10 + style = ttk.Style(self) + style.configure(".", font=(default_font_family, default_font_size)) + + # --- Logo and Window Icon --- + self.logo_icon_display_path = "./data/logo/optics_logo_resized.png" + try: + self.logo_icon_img = tk.PhotoImage(file=self.logo_icon_display_path) + self.iconphoto(True, self.logo_icon_img) + except tk.TclError: + self.logo_icon_img = None + + sv_ttk.set_theme("dark") + self.dark_mode_enabled = True + + # --- Choices --- + self.version_choices = ['vpod_1.3'] + self.model_choices = ['whole-dataset', 'wildtype', 'vertebrate', 'invertebrate', + 'wildtype-vert', 'type-one', 'whole-dataset-mnm', + 'wildtype-mnm', 'vertebrate-mnm', 'invertebrate-mnm', + 'wildtype-vert-mnm', 'wildtype-mut'] + self.encoding_choices = ['one_hot', 'aa_prop'] + self.refseq_choices = ['bovine', 'squid', 'microbe', 'custom'] + self.viz_ftyp_choices = ['svg', 'png', 'pdf'] + + # SHAP specific choices + self.shap_mode_choices = ['both', 'comparison', 'single'] + + # --- Top Frame --- + top_bar_frame = ttk.Frame(self) + top_bar_frame.pack(fill=tk.X, padx=10, pady=(10,0)) + + header_text = f"OPTICS: {title_suffix}" + if self.logo_icon_img: + gui_logo_label = ttk.Label(top_bar_frame, image=self.logo_icon_img, text=header_text, font=("Century Gothic", 16, "bold"), compound="left") + gui_logo_label.pack(side=tk.LEFT, padx=(0,10)) + gui_logo_label.image = self.logo_icon_img + else: + gui_logo_label = ttk.Label(top_bar_frame, text=header_text, font=("Century Gothic", 16, "bold")) + gui_logo_label.pack(side=tk.LEFT, padx=(0,10)) + + + self.theme_toggle_button = ttk.Button(top_bar_frame, text="Toggle Light Mode", command=self.toggle_theme) + self.theme_toggle_button.pack(side=tk.RIGHT, padx=(0,5)) + + self.back_button = ttk.Button(top_bar_frame, text="← Back", command=self.go_back) + self.back_button.pack(side=tk.RIGHT, padx=(0,5)) + + # --- Main Frame --- + main_frame = ttk.Frame(self, padding="10") + main_frame.pack(fill=tk.BOTH, expand=True) + + canvas = tk.Canvas(main_frame) + scrollbar = ttk.Scrollbar(main_frame, orient="vertical", command=canvas.yview) + scrollable_frame = ttk.Frame(canvas) + + scrollable_frame.bind( + "", + lambda e: canvas.configure( + scrollregion=canvas.bbox("all") + ) + ) + + canvas.create_window((0, 0), window=scrollable_frame, anchor="nw") + canvas.configure(yscrollcommand=scrollbar.set) + + canvas.pack(side="left", fill="both", expand=True) + scrollbar.pack(side="right", fill="y") + + # --- INPUT WIDGETS --- + current_row = 0 + scrollable_frame.columnconfigure(1, weight=1) + + # 1. Output Directory (Common to all modes) + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Directory:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.output_dir_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.output_dir_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + ttk.Button(scrollable_frame, text="Browse...", command=self.browse_output_dir).grid(row=current_row, column=2, padx=5, pady=5) + current_row += 1 + + if self.mode in ['predictions', 'shap']: + # -- ML Workflow Inputs -- + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Input Sequence/FASTA File:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.input_file_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.input_file_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + ttk.Button(scrollable_frame, text="Browse...", command=self.browse_input_file).grid(row=current_row, column=2, padx=5, pady=5) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Filename Prefix:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.prediction_prefix_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.prediction_prefix_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Model Version:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.version_var = tk.StringVar(value=self.version_choices[0]) + ttk.Combobox(scrollable_frame, textvariable=self.version_var, values=self.version_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Model:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.model_var = tk.StringVar(value=self.model_choices[0]) + ttk.Combobox(scrollable_frame, textvariable=self.model_var, values=self.model_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Encoding Method:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.encoding_var = tk.StringVar(value=self.encoding_choices[1]) + ttk.Combobox(scrollable_frame, textvariable=self.encoding_var, values=self.encoding_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + elif self.mode == 'structure': + # -- Structure Mapping Inputs -- + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="SHAP Analysis CSV File:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.shap_csv_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.shap_csv_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + ttk.Button(scrollable_frame, text="Browse...", command=self.browse_shap_csv).grid(row=current_row, column=2, padx=5, pady=5) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="PDB File or ID (e.g. 1U19):").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.pdb_input_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.pdb_input_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + ttk.Button(scrollable_frame, text="Browse File...", command=self.browse_pdb_file).grid(row=current_row, column=2, padx=5, pady=5) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Alignment Offset (Integer):").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.offset_var = tk.IntVar(value=0) + ttk.Spinbox(scrollable_frame, from_=-1000, to=1000, textvariable=self.offset_var, width=58).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + ttk.Label(scrollable_frame, text="(Adjusts residue numbering to match PDB. Default 0)", font=("Century Gothic", 9)).grid(row=current_row, column=1, padx=5, pady=0, sticky=tk.W) + current_row += 1 + + + # --- MODE SPECIFIC OPTIONS --- + + if self.mode == 'predictions': + # -- Prediction specific options -- + + # Tolerances + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Tolerate Non-standard AAs:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.non_standard_aa_var = tk.BooleanVar(value=True) + self.non_standard_aa_check = ttk.Checkbutton(scrollable_frame, text="Enable to predict on sequences with non-standard amino-acids", variable=self.non_standard_aa_var) + self.non_standard_aa_check.grid(row=current_row, column=1, columnspan=2, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Tolerate Incomplete Seqs:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.incomp_seqs_var = tk.BooleanVar(value=False) + self.incomp_seqs_check = ttk.Checkbutton(scrollable_frame, text="Enable to predict on sequences outside range of 250-650 amino-acids", variable=self.incomp_seqs_var) + self.incomp_seqs_check.grid(row=current_row, column=1, columnspan=2, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + # BLASTp Frame + blastp_frame = ttk.LabelFrame(scrollable_frame, text="BLASTp Options", padding="10") + blastp_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) + current_row += 1 + + self.blastp_enabled_var = tk.BooleanVar(value=True) + self.blastp_check = ttk.Checkbutton(blastp_frame, text="Enable BLASTp Analysis", variable=self.blastp_enabled_var, command=self.toggle_blastp_options) + self.blastp_check.grid(row=0, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + ttk.Label(blastp_frame, font=("Century Gothic", 12), text="BLASTp Report Filename:").grid(row=1, column=0, padx=5, pady=5, sticky=tk.W) + self.blastp_report_var = tk.StringVar(value="blastp_report.txt") + self.blastp_report_entry = ttk.Entry(blastp_frame, textvariable=self.blastp_report_var, width=50) + self.blastp_report_entry.grid(row=1, column=1, padx=5, pady=5, sticky=tk.EW) + + ttk.Label(blastp_frame, font=("Century Gothic", 12), text="Reference Sequence:").grid(row=2, column=0, padx=5, pady=5, sticky=tk.W) + self.refseq_var = tk.StringVar(value=self.refseq_choices[0]) + self.refseq_combo = ttk.Combobox(blastp_frame, textvariable=self.refseq_var, values=self.refseq_choices, state="readonly", width=47) + self.refseq_combo.grid(row=2, column=1, padx=5, pady=5, sticky=tk.EW) + self.refseq_combo.bind("<>", self.toggle_custom_ref_file) + + ttk.Label(blastp_frame, font=("Century Gothic", 12), text="Custom Reference File:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) + self.custom_ref_file_var = tk.StringVar() + self.custom_ref_file_entry = ttk.Entry(blastp_frame, textvariable=self.custom_ref_file_var, width=50) + self.custom_ref_file_entry.grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) + self.custom_ref_file_button = ttk.Button(blastp_frame, text="Browse...", command=self.browse_custom_ref_file) + self.custom_ref_file_button.grid(row=3, column=2, padx=5, pady=5) + + # Bootstrap Frame + bootstrap_frame = ttk.LabelFrame(scrollable_frame, text="Bootstrap Options", padding="10") + bootstrap_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) + current_row += 1 + + self.bootstrap_enabled_var = tk.BooleanVar(value=True) + self.bootstrap_check = ttk.Checkbutton(bootstrap_frame, text="Enable Bootstrap Predictions", variable=self.bootstrap_enabled_var, command=self.toggle_bootstrap_options) + self.bootstrap_check.grid(row=0, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + self.visualize_bootstrap_var = tk.BooleanVar(value=True) + self.visualize_check = ttk.Checkbutton(bootstrap_frame, text="Visualize Bootstrap Predictions", variable=self.visualize_bootstrap_var, command=self.toggle_bootstrap_options) + self.visualize_check.grid(row=1, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + ttk.Label(bootstrap_frame, font=("Century Gothic", 12), text="Bootstrap Viz Filename:").grid(row=2, column=0, padx=5, pady=5, sticky=tk.W) + self.bootstrap_viz_file_var = tk.StringVar(value="bootstrap_viz") + self.bootstrap_viz_entry = ttk.Entry(bootstrap_frame, textvariable=self.bootstrap_viz_file_var, width=50) + self.bootstrap_viz_entry.grid(row=2, column=1, padx=5, pady=5, sticky=tk.EW) + + ttk.Label(bootstrap_frame, font=("Century Gothic", 12), text="Viz Filetype:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) + self.bootstrap_fytp_var = tk.StringVar(value=self.viz_ftyp_choices[0]) + self.fytp_combo = ttk.Combobox(bootstrap_frame, textvariable=self.bootstrap_fytp_var, values=self.viz_ftyp_choices, state="readonly", width=47) + self.fytp_combo.grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) + + self.viz_xaxis_scale = tk.BooleanVar(value=False) + self.xaxis_check = ttk.Checkbutton(bootstrap_frame, text="Enable Full-Spectrum X-axis (300-650nm)", variable=self.viz_xaxis_scale) + self.xaxis_check.grid(row=4, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + # Init options + self.toggle_blastp_options() + self.toggle_bootstrap_options() + self.toggle_custom_ref_file() + + elif self.mode == 'shap': + # -- SHAP specific options -- + shap_frame = ttk.LabelFrame(scrollable_frame, text="SHAP Interpretation Options", padding="10") + shap_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) + current_row += 1 + + # Analysis Mode + ttk.Label(shap_frame, font=("Century Gothic", 12), text="Analysis Mode:").grid(row=0, column=0, padx=5, pady=5, sticky=tk.W) + self.shap_mode_var = tk.StringVar(value=self.shap_mode_choices[0]) + ttk.Combobox(shap_frame, textvariable=self.shap_mode_var, values=self.shap_mode_choices, state="readonly", width=47).grid(row=0, column=1, padx=5, pady=5, sticky=tk.EW) + + # N Positions + ttk.Label(shap_frame, font=("Century Gothic", 12), text="Top N Features to Show:").grid(row=1, column=0, padx=5, pady=5, sticky=tk.W) + self.n_positions_var = tk.IntVar(value=10) + ttk.Spinbox(shap_frame, from_=1, to=100, textvariable=self.n_positions_var, width=48).grid(row=1, column=1, padx=5, pady=5, sticky=tk.EW) + + # Use Reference Sites + self.use_ref_sites_var = tk.BooleanVar(value=False) + ttk.Checkbutton(shap_frame, text="Use Reference Numbering (e.g., Bovine Rhodopsin positions)", variable=self.use_ref_sites_var).grid(row=2, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + # Filetype + ttk.Label(shap_frame, font=("Century Gothic", 12), text="Save Visualizations As:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) + self.shap_save_as_var = tk.StringVar(value=self.viz_ftyp_choices[0]) + ttk.Combobox(shap_frame, textvariable=self.shap_save_as_var, values=self.viz_ftyp_choices, state="readonly", width=47).grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) + + + # --- Run Button --- + if self.mode == 'predictions': + btn_text = "Run OPTICS Predictions" + elif self.mode == 'shap': + btn_text = "Run SHAP Analysis" + else: + btn_text = "Run Structure Mapping" + + self.run_button = ttk.Button(scrollable_frame, text=btn_text, command=self.start_run_thread) + self.run_button.grid(row=current_row, column=0, columnspan=3, padx=5, pady=20) + current_row += 1 + + # --- Status/Output Area --- + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Log:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + current_row += 1 + self.output_text = scrolledtext.ScrolledText(scrollable_frame, wrap=tk.WORD, height=15, width=80, font=(default_font_family, default_font_size)) + self.output_text.grid(row=current_row, column=0, columnspan=3, padx=5, pady=5, sticky=tk.NSEW) + self.output_text.configure(state='disabled') + + scrollable_frame.columnconfigure(1, weight=1) + + # Redirect stdout and stderr + sys.stdout = TextRedirector(self.output_text, "stdout") + sys.stderr = TextRedirector(self.output_text, "stderr") + + # Loading Screen placeholder + self.loading_screen = None + + def go_back(self): + """Signals that the user wants to return to the mode selector.""" + self.wants_to_go_back = True + self.destroy() + + def toggle_theme(self): + if self.dark_mode_enabled: + sv_ttk.set_theme("light") + self.theme_toggle_button.configure(text="Toggle Dark Mode") + self.dark_mode_enabled = False + else: + sv_ttk.set_theme("dark") + self.theme_toggle_button.configure(text="Toggle Light Mode") + self.dark_mode_enabled = True + + def browse_input_file(self): + filename = filedialog.askopenfilename(title="Select Input FASTA File", + filetypes=(("FASTA files", "*.fasta *.fa *.fna *.faa *.fas"), + ("Text files", "*.txt"), + ("All files", "*.*"))) + if filename: + self.input_file_var.set(filename) + + def browse_output_dir(self): + dirname = filedialog.askdirectory(title="Select Output Directory") + if dirname: + self.output_dir_var.set(dirname) + + def browse_custom_ref_file(self): + filename = filedialog.askopenfilename(title="Select Custom Reference File", + filetypes=(("FASTA files", "*.fasta *.fa *.fna *.faa *.fas"), + ("All files", "*.*"))) + if filename: + self.custom_ref_file_var.set(filename) + + # --- New Browsers for Structure Mode --- + def browse_shap_csv(self): + filename = filedialog.askopenfilename(title="Select SHAP Analysis CSV", + filetypes=(("CSV files", "*.csv"), + ("All files", "*.*"))) + if filename: + self.shap_csv_var.set(filename) + + def browse_pdb_file(self): + filename = filedialog.askopenfilename(title="Select PDB File", + filetypes=(("PDB files", "*.pdb"), + ("All files", "*.*"))) + if filename: + self.pdb_input_var.set(filename) + + + def toggle_blastp_options(self): + state = tk.NORMAL if self.blastp_enabled_var.get() else tk.DISABLED + self.blastp_report_entry.configure(state=state) + self.refseq_combo.configure(state="readonly" if state == tk.NORMAL else tk.DISABLED) + self.toggle_custom_ref_file() + + def toggle_custom_ref_file(self, event=None): + if not hasattr(self, 'blastp_enabled_var'): return + + blastp_on = self.blastp_enabled_var.get() + custom_ref_selected = self.refseq_var.get() == "custom" + + if blastp_on and custom_ref_selected: + self.custom_ref_file_entry.configure(state=tk.NORMAL) + self.custom_ref_file_button.configure(state=tk.NORMAL) + else: + self.custom_ref_file_entry.configure(state=tk.DISABLED) + self.custom_ref_file_button.configure(state=tk.DISABLED) + if not custom_ref_selected: + self.custom_ref_file_var.set("") + + def toggle_bootstrap_options(self): + bootstrap_state = tk.NORMAL if self.bootstrap_enabled_var.get() else tk.DISABLED + self.visualize_check.configure(state=bootstrap_state) + + visualize_state = tk.NORMAL if (self.bootstrap_enabled_var.get() and self.visualize_bootstrap_var.get()) else tk.DISABLED + self.bootstrap_viz_entry.configure(state=visualize_state) + self.xaxis_check.configure(state=visualize_state) + self.fytp_combo.configure(state="readonly" if visualize_state == tk.NORMAL else tk.DISABLED) + + + def log_message(self, message): + self.output_text.configure(state='normal') + self.output_text.insert(tk.END, message + "\n") + self.output_text.see(tk.END) + self.output_text.configure(state='disabled') + self.update_idletasks() + + def start_run_thread(self): + # Validation based on mode + if self.mode in ['predictions', 'shap']: + if not self.input_file_var.get(): + messagebox.showerror("Input Error", "Please specify an input sequence/FASTA file.") + return + elif self.mode == 'structure': + if not self.shap_csv_var.get(): + messagebox.showerror("Input Error", "Please specify the SHAP Analysis CSV file.") + return + if not self.pdb_input_var.get(): + messagebox.showerror("Input Error", "Please specify a PDB file path or ID.") + return + + # Create default output dir if not specified + if not self.output_dir_var.get(): + self.output_dir_var.set(os.path.join(os.getcwd(), 'prediction_outputs')) + + self.run_button.config(state=tk.DISABLED) + self.output_text.configure(state='normal') + self.output_text.delete(1.0, tk.END) + self.output_text.configure(state='disabled') + + if self.mode == 'predictions': + log_txt = "Starting OPTICS Predictions..." + elif self.mode == 'shap': + log_txt = "Starting SHAP Analysis..." + else: + log_txt = "Starting Structure Mapping..." + + self.log_message(log_txt) + + self.loading_screen = HumanEyeLoadingScreen(self) + self.loading_screen.start_animation() + + thread = threading.Thread(target=self.run_predictions_logic, daemon=True) + thread.start() + + def run_predictions_logic(self): + try: + # Common arguments + pred_dir_val = self.output_dir_var.get() + + if self.mode == 'predictions': + input_val = self.input_file_var.get() + output_val = self.prediction_prefix_var.get() + if not output_val: output_val = "optics_results" + version_val = self.version_var.get() + model_val = self.model_var.get() + encoding_val = self.encoding_var.get() + tol_non_stan_aa = self.non_standard_aa_var.get() + tol_incomp_seqs = self.incomp_seqs_var.get() + + blastp_val = self.blastp_enabled_var.get() + iden_report_val = self.blastp_report_var.get() if blastp_val else None + refseq_val = self.refseq_var.get() if blastp_val else "bovine" + reffile_val = self.custom_ref_file_var.get() if blastp_val and self.refseq_var.get() == "custom" else None + + bootstrap_val = self.bootstrap_enabled_var.get() + visualize_bootstrap_val = self.visualize_bootstrap_var.get() if bootstrap_val else False + bootstrap_viz_file_val = self.bootstrap_viz_file_var.get() if bootstrap_val and visualize_bootstrap_val else None + viz_ftyp_val = self.bootstrap_fytp_var.get() if bootstrap_val and visualize_bootstrap_val else None + xaxis_val = self.viz_xaxis_scale.get() if bootstrap_val and visualize_bootstrap_val else None + + pred_df, output_file_path = run_optics_predictions( + input_sequence=input_val, + pred_dir=pred_dir_val, + output=output_val, + model=model_val, + encoding_method=encoding_val, + blastp=blastp_val, + iden_report=iden_report_val, + refseq=refseq_val, + reffile=reffile_val, + bootstrap=bootstrap_val, + visualize_bootstrap=visualize_bootstrap_val, + bootstrap_viz_file=bootstrap_viz_file_val, + save_as=viz_ftyp_val, + full_spectrum_xaxis=xaxis_val, + model_version=version_val, + tolerate_non_standard_aa=tol_non_stan_aa, + tolerate_incomplete_seqs=tol_incomp_seqs + ) + + self.log_message(f"\n--- Predictions Complete ---") + if output_file_path: + messagebox.showinfo("Success", f"OPTICS predictions completed successfully!\nResults are in: {os.path.dirname(output_file_path)}") + + elif self.mode == 'shap': + input_val = self.input_file_var.get() + output_val = self.prediction_prefix_var.get() + if not output_val: output_val = "optics_results" + version_val = self.version_var.get() + model_val = self.model_var.get() + encoding_val = self.encoding_var.get() + shap_mode = self.shap_mode_var.get() + n_pos = self.n_positions_var.get() + use_ref = self.use_ref_sites_var.get() + save_as = self.shap_save_as_var.get() + + generate_shap_explanation( + input_file=input_val, + pred_dir=pred_dir_val, + output=output_val, + save_as=save_as, + model=model_val, + encoding_method=encoding_val, + model_version=version_val, + cmd_line="GUI_Execution", + mode=shap_mode, + n_positions=n_pos, + use_reference_sites=use_ref + ) + self.log_message(f"\n--- SHAP Analysis Complete ---") + messagebox.showinfo("Success", f"SHAP analysis completed successfully!\nResults are in: {pred_dir_val}") + + elif self.mode == 'structure': + csv_path = self.shap_csv_var.get() + pdb_input = self.pdb_input_var.get() + offset = self.offset_var.get() + + pdb_out = run_structural_mapping( + shap_csv=csv_path, + pdb_input=pdb_input, + output_dir=pred_dir_val, + offset=offset + ) + + self.log_message(f"\n--- Structure Mapping Complete ---") + if pdb_out: + self.log_message(f"PDB Saved to: {pdb_out}") + messagebox.showinfo("Success", f"Mapping completed successfully!\nSaved PDB to: {pdb_out}") + else: + messagebox.showerror("Error", "Structure mapping failed. Check log for details.") + + + except Exception as e: + self.log_message(f"\n--- ERROR ---") + self.log_message(f"An error occurred: {str(e)}") + import traceback + self.log_message(f"Traceback:\n{traceback.format_exc()}") + messagebox.showerror("Error", f"An error occurred: {e}") + finally: + self.run_button.config(state=tk.NORMAL) + if self.loading_screen: + self.after(0, self.loading_screen.stop_animation) + + +class TextRedirector(object): + def __init__(self, widget, tag="stdout"): + self.widget = widget + self.tag = tag + + def write(self, str_): + self.widget.configure(state='normal') + self.widget.insert(tk.END, str_, (self.tag,)) + self.widget.see(tk.END) + self.widget.configure(state='disabled') + self.widget.update_idletasks() + + def flush(self): + pass + + +def main(): + while True: + # 1. Run Selector + selector = ModeSelector() + selector.mainloop() + + # 2. Get Selection + mode = selector.selected_mode + + # If the selector was closed without a choice (e.g. X button), break the loop + if not mode: + break + + # 3. Launch Main App if selection was made + app = OpticsGUI(mode=mode) + app.mainloop() + + # 4. Check navigation flag + # If the user didn't click "Back" (e.g. they clicked X), break the loop + if not getattr(app, 'wants_to_go_back', False): + break + +if __name__ == "__main__": + script_dir = os.path.dirname(os.path.abspath(__file__)) + if script_dir not in sys.path: + sys.path.insert(0, script_dir) + + main() \ No newline at end of file From 0dd25ce346de0e6b84b3694d23add61f9210dcb9 Mon Sep 17 00:00:00 2001 From: k-wavy <105947657+k-wavy@users.noreply.github.com> Date: Tue, 3 Feb 2026 15:47:26 +0100 Subject: [PATCH 02/16] working version of gui implimenting optics structure-mapping script --- {examples => data/cached_structures}/1U19.pdb | 0 ...Bombus_impatiens_347_structure_heatmap.pdb | 7062 ----------------- examples/U57536_ex_struct.pdb | 2770 +++++++ .../arg_log.txt | 17 - .../blastp_report.csv | 6 - .../bootstrap_viz_part1.svg | 2161 ----- .../fig_tree_color_annotation.txt | 6 - .../itol_color_annotation.txt | 8 - .../testing_predictions.tsv | 6 - .../testing_predictions_for_excel.xlsx | Bin 5467 -> 0 bytes .../U57536_individual_shap.svg} | 1494 ++-- .../U57536_shap_analysis.csv | 1127 +++ .../U57536_structure_heatmap.pdb | 2770 +++++++ .../ex_structure_viz_in_chimeraX.png | Bin 0 -> 102111 bytes .../optics_structure_map_ex_predictions.csv | 2 + .../shap_script_log.txt | 3 + .../visualize_U57536.pml} | 2 +- .../Bombus_impatiens_347_individual_shap.svg | 2198 ----- .../Bombus_impatiens_347_shap_analysis.csv | 1127 --- .../Bombus_impatiens_424_individual_shap.svg | 2221 ------ .../Bombus_impatiens_424_shap_analysis.csv | 1127 --- ..._424_vs_Bombus_impatiens_347_shap_data.csv | 501 -- ...atiens_424_vs_Bombus_impatiens_347_viz.svg | 2425 ------ .../Bombus_impatiens_539_shap_analysis.csv | 1127 --- ..._539_vs_Bombus_impatiens_347_shap_data.csv | 673 -- ...atiens_539_vs_Bombus_impatiens_347_viz.svg | 2467 ------ ..._539_vs_Bombus_impatiens_424_shap_data.csv | 671 -- ...atiens_539_vs_Bombus_impatiens_424_viz.svg | 2477 ------ ...dactylus_oerstedii_334_individual_shap.svg | 2305 ------ ...nodactylus_oerstedii_334_shap_analysis.csv | 1127 --- ..._334_vs_Bombus_impatiens_347_shap_data.csv | 488 -- ...stedii_334_vs_Bombus_impatiens_347_viz.svg | 2602 ------ ..._334_vs_Bombus_impatiens_424_shap_data.csv | 572 -- ...stedii_334_vs_Bombus_impatiens_424_viz.svg | 2630 ------ ..._334_vs_Bombus_impatiens_539_shap_data.csv | 698 -- ...stedii_334_vs_Bombus_impatiens_539_viz.svg | 2570 ------ ...eogonodactylus_oerstedii_383_shap_data.csv | 474 -- ...4_vs_Neogonodactylus_oerstedii_383_viz.svg | 2528 ------ ...dactylus_oerstedii_383_individual_shap.svg | 2227 ------ ...nodactylus_oerstedii_383_shap_analysis.csv | 1127 --- ..._383_vs_Bombus_impatiens_347_shap_data.csv | 422 - ...stedii_383_vs_Bombus_impatiens_347_viz.svg | 2579 ------ ..._383_vs_Bombus_impatiens_424_shap_data.csv | 480 -- ...stedii_383_vs_Bombus_impatiens_424_viz.svg | 2551 ------ ..._383_vs_Bombus_impatiens_539_shap_data.csv | 666 -- ...stedii_383_vs_Bombus_impatiens_539_viz.svg | 2521 ------ .../shap_script_log.txt | 53 - .../testing_gui_v2_prediction_diff_matrix.csv | 6 - ...i_v2_prediction_diff_matrix_for_excel.xlsx | Bin 5328 -> 0 bytes .../testing_gui_v2_predictions.csv | 6 - examples/optics_struct_ex.txt | 2 + optics_shap.py | 353 +- optics_structure_map.py | 227 +- run_optics_gui.py | 813 +- run_optics_gui_pyqy.py | 638 -- run_optics_gui_v2.py | 658 -- run_optics_gui_v3.py | 758 -- run_optics_gui_v4.py | 776 -- 58 files changed, 8217 insertions(+), 59088 deletions(-) rename {examples => data/cached_structures}/1U19.pdb (100%) delete mode 100644 examples/Bombus_impatiens_347_structure_heatmap.pdb create mode 100644 examples/U57536_ex_struct.pdb delete mode 100644 examples/optics_on_testing_2026-01-26_15-25-47/arg_log.txt delete mode 100644 examples/optics_on_testing_2026-01-26_15-25-47/blastp_report.csv delete mode 100644 examples/optics_on_testing_2026-01-26_15-25-47/bootstrap_viz_part1.svg delete mode 100644 examples/optics_on_testing_2026-01-26_15-25-47/fig_tree_color_annotation.txt delete mode 100644 examples/optics_on_testing_2026-01-26_15-25-47/itol_color_annotation.txt delete mode 100644 examples/optics_on_testing_2026-01-26_15-25-47/testing_predictions.tsv delete mode 100644 examples/optics_on_testing_2026-01-26_15-25-47/testing_predictions_for_excel.xlsx rename examples/{optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Bombus_impatiens_539_individual_shap.svg => optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/U57536_individual_shap.svg} (79%) create mode 100644 examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/U57536_shap_analysis.csv create mode 100644 examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/U57536_structure_heatmap.pdb create mode 100644 examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/ex_structure_viz_in_chimeraX.png create mode 100644 examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/optics_structure_map_ex_predictions.csv create mode 100644 examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/shap_script_log.txt rename examples/{visualize_Bombus_impatiens_347.pml => optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/visualize_U57536.pml} (82%) delete mode 100644 examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Bombus_impatiens_347_individual_shap.svg delete mode 100644 examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Bombus_impatiens_347_shap_analysis.csv delete mode 100644 examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Bombus_impatiens_424_individual_shap.svg delete mode 100644 examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Bombus_impatiens_424_shap_analysis.csv delete mode 100644 examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Bombus_impatiens_424_vs_Bombus_impatiens_347_shap_data.csv delete mode 100644 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delete mode 100644 run_optics_gui_v3.py delete mode 100644 run_optics_gui_v4.py diff --git a/examples/1U19.pdb b/data/cached_structures/1U19.pdb similarity index 100% rename from examples/1U19.pdb rename to data/cached_structures/1U19.pdb diff --git a/examples/Bombus_impatiens_347_structure_heatmap.pdb b/examples/Bombus_impatiens_347_structure_heatmap.pdb deleted file mode 100644 index db7cb083..00000000 --- a/examples/Bombus_impatiens_347_structure_heatmap.pdb +++ /dev/null @@ -1,7062 +0,0 @@ -HEADER SIGNALING PROTEIN 15-JUL-04 1U19 -TITLE CRYSTAL STRUCTURE OF BOVINE RHODOPSIN AT 2.2 ANGSTROMS RESOLUTION -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: RHODOPSIN; -COMPND 3 CHAIN: A, B -SOURCE MOL_ID: 1; -SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; -SOURCE 3 ORGANISM_COMMON: CATTLE; -SOURCE 4 ORGANISM_TAXID: 9913 -KEYWDS G PROTEIN-COUPLED RECEPTOR, MEMBRANE PROTEIN, RETINAL PROTEIN, -KEYWDS 2 PHOTORECEPTOR, SIGNALING PROTEIN -EXPDTA X-RAY DIFFRACTION -AUTHOR T.OKADA,M.SUGIHARA,A.N.BONDAR,M.ELSTNER,P.ENTEL,V.BUSS -REVDAT 7 09-OCT-24 1U19 1 REMARK -REVDAT 6 25-OCT-23 1U19 1 HETSYN -REVDAT 5 29-JUL-20 1U19 1 COMPND REMARK HETNAM LINK -REVDAT 5 2 1 SITE ATOM -REVDAT 4 25-MAR-15 1U19 1 REMARK -REVDAT 3 13-JUL-11 1U19 1 VERSN -REVDAT 2 24-FEB-09 1U19 1 VERSN -REVDAT 1 12-OCT-04 1U19 0 -JRNL AUTH T.OKADA,M.SUGIHARA,A.N.BONDAR,M.ELSTNER,P.ENTEL,V.BUSS -JRNL TITL THE RETINAL CONFORMATION AND ITS ENVIRONMENT IN RHODOPSIN IN -JRNL TITL 2 LIGHT OF A NEW 2.2 A CRYSTAL STRUCTURE -JRNL REF J.MOL.BIOL. V. 342 571 2004 -JRNL REFN ISSN 0022-2836 -JRNL PMID 15327956 -JRNL DOI 10.1016/J.JMB.2004.07.044 -REMARK 2 -REMARK 2 RESOLUTION. 2.20 ANGSTROMS. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : CNS -REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- -REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, -REMARK 3 : READ,RICE,SIMONSON,WARREN -REMARK 3 -REMARK 3 REFINEMENT TARGET : ENGH & HUBER -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 50.00 -REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 -REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL -REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL -REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 85.4 -REMARK 3 NUMBER OF REFLECTIONS : 59552 -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT. -REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT -REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM -REMARK 3 R VALUE (WORKING SET) : 0.200 -REMARK 3 FREE R VALUE : 0.222 -REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL -REMARK 3 FREE R VALUE TEST SET COUNT : 2839 -REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL -REMARK 3 -REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. -REMARK 3 TOTAL NUMBER OF BINS USED : NULL -REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL -REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL -REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL -REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL -REMARK 3 BIN R VALUE (WORKING SET) : NULL -REMARK 3 BIN FREE R VALUE : NULL -REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL -REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL -REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL -REMARK 3 -REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. -REMARK 3 PROTEIN ATOMS : 5498 -REMARK 3 NUCLEIC ACID ATOMS : 0 -REMARK 3 HETEROGEN ATOMS : 384 -REMARK 3 SOLVENT ATOMS : 66 -REMARK 3 -REMARK 3 B VALUES. -REMARK 3 FROM WILSON PLOT (A**2) : 42.10 -REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL -REMARK 3 OVERALL ANISOTROPIC B VALUE. -REMARK 3 B11 (A**2) : NULL -REMARK 3 B22 (A**2) : NULL -REMARK 3 B33 (A**2) : NULL -REMARK 3 B12 (A**2) : NULL -REMARK 3 B13 (A**2) : NULL -REMARK 3 B23 (A**2) : NULL -REMARK 3 -REMARK 3 ESTIMATED COORDINATE ERROR. -REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.32 -REMARK 3 ESD FROM SIGMAA (A) : 0.53 -REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 -REMARK 3 -REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. -REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.34 -REMARK 3 ESD FROM C-V SIGMAA (A) : 0.49 -REMARK 3 -REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. -REMARK 3 BOND LENGTHS (A) : 0.012 -REMARK 3 BOND ANGLES (DEGREES) : 1.400 -REMARK 3 DIHEDRAL ANGLES (DEGREES) : 20.60 -REMARK 3 IMPROPER ANGLES (DEGREES) : 0.970 -REMARK 3 -REMARK 3 ISOTROPIC THERMAL MODEL : NULL -REMARK 3 -REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA -REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL -REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL -REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL -REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL -REMARK 3 -REMARK 3 BULK SOLVENT MODELING. -REMARK 3 METHOD USED : NULL -REMARK 3 KSOL : NULL -REMARK 3 BSOL : NULL -REMARK 3 -REMARK 3 NCS MODEL : NULL -REMARK 3 -REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT -REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL -REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL -REMARK 3 -REMARK 3 PARAMETER FILE 1 : NULL -REMARK 3 TOPOLOGY FILE 1 : NULL -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: NULL -REMARK 4 -REMARK 4 1U19 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 -REMARK 100 -REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 21-JUL-04. -REMARK 100 THE DEPOSITION ID IS D_1000023119. -REMARK 200 -REMARK 200 EXPERIMENTAL DETAILS -REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION -REMARK 200 DATE OF DATA COLLECTION : 10-MAR-03 -REMARK 200 TEMPERATURE (KELVIN) : 100 -REMARK 200 PH : 6.0 -REMARK 200 NUMBER OF CRYSTALS USED : 1 -REMARK 200 -REMARK 200 SYNCHROTRON (Y/N) : Y -REMARK 200 RADIATION SOURCE : SPRING-8 -REMARK 200 BEAMLINE : BL41XU -REMARK 200 X-RAY GENERATOR MODEL : NULL -REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M -REMARK 200 WAVELENGTH OR RANGE (A) : 1.0000 -REMARK 200 MONOCHROMATOR : NULL -REMARK 200 OPTICS : NULL -REMARK 200 -REMARK 200 DETECTOR TYPE : CCD -REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 -REMARK 200 DATA SCALING SOFTWARE : SCALEPACK -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 61728 -REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200 -REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : 88.4 -REMARK 200 DATA REDUNDANCY : 3.200 -REMARK 200 R MERGE (I) : 0.09300 -REMARK 200 R SYM (I) : NULL -REMARK 200 FOR THE DATA SET : 11.9000 -REMARK 200 -REMARK 200 IN THE HIGHEST RESOLUTION SHELL. -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20 -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.28 -REMARK 200 COMPLETENESS FOR SHELL (%) : 46.2 -REMARK 200 DATA REDUNDANCY IN SHELL : NULL -REMARK 200 R MERGE FOR SHELL (I) : 0.66700 -REMARK 200 R SYM FOR SHELL (I) : NULL -REMARK 200 FOR SHELL : 1.200 -REMARK 200 -REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH -REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT -REMARK 200 SOFTWARE USED: AMORE -REMARK 200 STARTING MODEL: PDB ENTRY 1L9H -REMARK 200 -REMARK 200 REMARK: NULL -REMARK 280 -REMARK 280 CRYSTAL -REMARK 280 SOLVENT CONTENT, VS (%): 71.00 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.20 -REMARK 280 -REMARK 280 CRYSTALLIZATION CONDITIONS: AMMONIUM SULFATE, PH 6.0, VAPOR -REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 283K -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY -REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 -REMARK 290 -REMARK 290 SYMOP SYMMETRY -REMARK 290 NNNMMM OPERATOR -REMARK 290 1555 X,Y,Z -REMARK 290 2555 -X,-Y,Z+1/2 -REMARK 290 3555 -Y,X,Z+1/4 -REMARK 290 4555 Y,-X,Z+3/4 -REMARK 290 -REMARK 290 WHERE NNN -> OPERATOR NUMBER -REMARK 290 MMM -> TRANSLATION VECTOR -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS -REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM -REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY -REMARK 290 RELATED MOLECULES. -REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 75.10000 -REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 37.55000 -REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 112.65000 -REMARK 290 -REMARK 290 REMARK: NULL -REMARK 300 -REMARK 300 BIOMOLECULE: 1, 2 -REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM -REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN -REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON -REMARK 300 BURIED SURFACE AREA. -REMARK 350 -REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN -REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE -REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS -REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND -REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. -REMARK 350 -REMARK 350 BIOMOLECULE: 1 -REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC -REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, C, D -REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 350 -REMARK 350 BIOMOLECULE: 2 -REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC -REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, E, F -REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT -REMARK 500 -REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. -REMARK 500 -REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE -REMARK 500 ND1 HIS A 65 O VAL A 337 2.18 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: CLOSE CONTACTS -REMARK 500 -REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC -REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 -REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A -REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 -REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE -REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. -REMARK 500 -REMARK 500 DISTANCE CUTOFF: -REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS -REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS -REMARK 500 -REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE -REMARK 500 NE2 GLN A 344 O6 HTG B 1509 4564 2.04 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: COVALENT BOND ANGLES -REMARK 500 -REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES -REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE -REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) -REMARK 500 -REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 -REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 -REMARK 500 -REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 -REMARK 500 PRO B 347 C - N - CA ANGL. DEV. = 9.1 DEGREES -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: TORSION ANGLES -REMARK 500 -REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) -REMARK 500 -REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- -REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 -REMARK 500 -REMARK 500 M RES CSSEQI PSI PHI -REMARK 500 TYR A 10 94.72 -164.52 -REMARK 500 GLU A 25 -25.20 -145.41 -REMARK 500 VAL A 139 -73.95 -68.59 -REMARK 500 LYS A 141 91.59 16.27 -REMARK 500 ASN A 145 36.50 -177.92 -REMARK 500 SER A 176 -163.64 66.65 -REMARK 500 GLN A 184 30.66 71.64 -REMARK 500 HIS A 195 81.05 4.65 -REMARK 500 HIS A 211 53.00 -114.92 -REMARK 500 PHE A 212 -83.13 179.74 -REMARK 500 LEU A 226 41.59 -78.43 -REMARK 500 THR A 229 -136.01 -81.41 -REMARK 500 ALA A 233 94.22 -62.40 -REMARK 500 ALA A 235 -151.04 -93.74 -REMARK 500 GLN A 238 125.99 69.04 -REMARK 500 SER A 240 17.04 167.58 -REMARK 500 ALA A 241 132.21 148.69 -REMARK 500 HIS A 278 47.56 -143.13 -REMARK 500 VAL A 300 -33.74 -133.39 -REMARK 500 CYS A 322 31.86 -67.16 -REMARK 500 CYS A 323 -68.14 45.04 -REMARK 500 LYS A 325 -118.21 -137.50 -REMARK 500 ASN A 326 72.32 54.51 -REMARK 500 PRO A 327 27.99 -69.90 -REMARK 500 LEU A 328 -101.09 11.79 -REMARK 500 ASP A 331 -151.01 61.85 -REMARK 500 ALA A 333 -29.31 68.77 -REMARK 500 SER A 334 -161.99 -107.01 -REMARK 500 THR A 335 159.81 -38.78 -REMARK 500 SER A 338 -144.27 -176.70 -REMARK 500 LYS A 339 -71.43 -108.32 -REMARK 500 GLU A 341 -121.86 -70.18 -REMARK 500 THR A 342 45.44 -97.23 -REMARK 500 GLN A 344 107.02 -51.12 -REMARK 500 ALA A 346 59.91 -146.16 -REMARK 500 PRO A 347 -107.93 -83.03 -REMARK 500 TYR B 10 97.71 -161.29 -REMARK 500 SER B 22 130.39 -37.97 -REMARK 500 LEU B 68 81.99 -67.11 -REMARK 500 ARG B 69 26.17 -147.78 -REMARK 500 LYS B 141 89.33 -1.40 -REMARK 500 SER B 144 -62.88 -109.26 -REMARK 500 SER B 176 -170.27 69.39 -REMARK 500 HIS B 195 74.83 15.58 -REMARK 500 GLU B 197 -14.18 -48.88 -REMARK 500 THR B 198 13.44 -145.39 -REMARK 500 HIS B 211 33.43 -96.96 -REMARK 500 PHE B 212 -72.86 -161.98 -REMARK 500 LEU B 226 36.71 -84.32 -REMARK 500 THR B 229 -144.12 -70.00 -REMARK 500 -REMARK 500 THIS ENTRY HAS 75 RAMACHANDRAN OUTLIERS. -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 610 -REMARK 610 MISSING HETEROATOM -REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; -REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; -REMARK 610 I=INSERTION CODE): -REMARK 610 M RES C SSEQI -REMARK 610 PLM A 1410 -REMARK 610 PLM B 1407 -REMARK 620 -REMARK 620 METAL COORDINATION -REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 ZN A 962 ZN -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 GLU A 122 OE1 -REMARK 620 2 TRP A 126 NE1 70.8 -REMARK 620 3 MET A 163 O 154.9 93.8 -REMARK 620 4 HIS A 211 ND1 101.7 83.0 95.7 -REMARK 620 N 1 2 3 -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 ZN A2011 ZN -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 HIS A 195 NE2 -REMARK 620 2 GLU A 197 OE1 91.2 -REMARK 620 N 1 -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 ZN A 957 ZN -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 GLU A 201 OE1 -REMARK 620 2 GLU A 201 OE2 60.8 -REMARK 620 3 GLN A 279 NE2 165.9 109.0 -REMARK 620 N 1 2 -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 HG A 901 HG -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 CYS A 264 SG -REMARK 620 2 THR A 297 OG1 77.9 -REMARK 620 N 1 -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 ZN A 959 ZN -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 LYS A 311 NZ -REMARK 620 2 ASP A 330 N 108.4 -REMARK 620 N 1 -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 HG A 905 HG -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 GLN A 312 O -REMARK 620 2 CYS A 316 SG 80.0 -REMARK 620 3 HOH A2061 O 135.4 78.5 -REMARK 620 N 1 2 -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 HG B 906 HG -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 HIS B 65 ND1 -REMARK 620 2 CYS B 316 SG 140.2 -REMARK 620 3 THR B 336 O 136.5 73.1 -REMARK 620 4 VAL B 337 O 74.3 141.9 68.9 -REMARK 620 N 1 2 3 -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 ZN B 963 ZN -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 TRP B 126 NE1 -REMARK 620 2 HIS B 211 ND1 86.5 -REMARK 620 N 1 -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 ZN B 956 ZN -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 HIS B 195 NE2 -REMARK 620 2 GLU B 197 OE1 85.9 -REMARK 620 N 1 -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 ZN B 958 ZN -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 GLU B 201 OE2 -REMARK 620 2 GLU B 201 OE1 57.0 -REMARK 620 3 GLN B 279 NE2 84.0 139.4 -REMARK 620 N 1 2 -REMARK 900 -REMARK 900 RELATED ENTRIES -REMARK 900 RELATED ID: 1F88 RELATED DB: PDB -REMARK 900 RELATED ID: 1HZX RELATED DB: PDB -REMARK 900 RELATED ID: 1L9H RELATED DB: PDB -DBREF 1U19 A 1 348 UNP P02699 OPSD_BOVIN 1 348 -DBREF 1U19 B 1 348 UNP P02699 OPSD_BOVIN 1 348 -SEQRES 1 A 349 ACE MET ASN GLY THR GLU GLY PRO ASN PHE TYR VAL PRO -SEQRES 2 A 349 PHE SER ASN LYS THR GLY VAL VAL ARG SER PRO PHE GLU -SEQRES 3 A 349 ALA PRO GLN TYR TYR LEU ALA GLU PRO TRP GLN PHE SER -SEQRES 4 A 349 MET LEU ALA ALA TYR MET PHE LEU LEU ILE MET LEU GLY -SEQRES 5 A 349 PHE PRO ILE ASN PHE LEU THR LEU TYR VAL THR VAL GLN -SEQRES 6 A 349 HIS LYS LYS LEU ARG THR PRO LEU ASN TYR ILE LEU LEU -SEQRES 7 A 349 ASN LEU ALA VAL ALA ASP LEU PHE MET VAL PHE GLY GLY -SEQRES 8 A 349 PHE THR THR THR LEU TYR THR SER LEU HIS GLY TYR PHE -SEQRES 9 A 349 VAL PHE GLY PRO THR GLY CYS ASN LEU GLU GLY PHE PHE -SEQRES 10 A 349 ALA THR LEU GLY GLY GLU ILE ALA LEU TRP SER LEU VAL -SEQRES 11 A 349 VAL LEU ALA ILE GLU ARG TYR VAL VAL VAL CYS LYS PRO -SEQRES 12 A 349 MET SER ASN PHE ARG PHE GLY GLU ASN HIS ALA ILE MET -SEQRES 13 A 349 GLY VAL ALA PHE THR TRP VAL MET ALA LEU ALA CYS ALA -SEQRES 14 A 349 ALA PRO PRO LEU VAL GLY TRP SER ARG TYR ILE PRO GLU -SEQRES 15 A 349 GLY MET GLN CYS SER CYS GLY ILE ASP TYR TYR THR PRO -SEQRES 16 A 349 HIS GLU GLU THR ASN ASN GLU SER PHE VAL ILE TYR MET -SEQRES 17 A 349 PHE VAL VAL HIS PHE ILE ILE PRO LEU ILE VAL ILE PHE -SEQRES 18 A 349 PHE CYS TYR GLY GLN LEU VAL PHE THR VAL LYS GLU ALA -SEQRES 19 A 349 ALA ALA GLN GLN GLN GLU SER ALA THR THR GLN LYS ALA -SEQRES 20 A 349 GLU LYS GLU VAL THR ARG MET VAL ILE ILE MET VAL ILE -SEQRES 21 A 349 ALA PHE LEU ILE CYS TRP LEU PRO TYR ALA GLY VAL ALA -SEQRES 22 A 349 PHE TYR ILE PHE THR HIS GLN GLY SER ASP PHE GLY PRO -SEQRES 23 A 349 ILE PHE MET THR ILE PRO ALA PHE PHE ALA LYS THR SER -SEQRES 24 A 349 ALA VAL TYR ASN PRO VAL ILE TYR ILE MET MET ASN LYS -SEQRES 25 A 349 GLN PHE ARG ASN CYS MET VAL THR THR LEU CYS CYS GLY -SEQRES 26 A 349 LYS ASN PRO LEU GLY ASP ASP GLU ALA SER THR THR VAL -SEQRES 27 A 349 SER LYS THR GLU THR SER GLN VAL ALA PRO ALA -SEQRES 1 B 349 ACE MET ASN GLY THR GLU GLY PRO ASN PHE TYR VAL PRO -SEQRES 2 B 349 PHE SER ASN LYS THR GLY VAL VAL ARG SER PRO PHE GLU -SEQRES 3 B 349 ALA PRO GLN TYR TYR LEU ALA GLU PRO TRP GLN PHE SER -SEQRES 4 B 349 MET LEU ALA ALA TYR MET PHE LEU LEU ILE MET LEU GLY -SEQRES 5 B 349 PHE PRO ILE ASN PHE LEU THR LEU TYR VAL THR VAL GLN -SEQRES 6 B 349 HIS LYS LYS LEU ARG THR PRO LEU ASN TYR ILE LEU LEU -SEQRES 7 B 349 ASN LEU ALA VAL ALA ASP LEU PHE MET VAL PHE GLY GLY -SEQRES 8 B 349 PHE THR THR THR LEU TYR THR SER LEU HIS GLY TYR PHE -SEQRES 9 B 349 VAL PHE GLY PRO THR GLY CYS ASN LEU GLU GLY PHE PHE -SEQRES 10 B 349 ALA THR LEU GLY GLY GLU ILE ALA LEU TRP SER LEU VAL -SEQRES 11 B 349 VAL LEU ALA ILE GLU ARG TYR VAL VAL VAL CYS LYS PRO -SEQRES 12 B 349 MET SER ASN PHE ARG PHE GLY GLU ASN HIS ALA ILE MET -SEQRES 13 B 349 GLY VAL ALA PHE THR TRP VAL MET ALA LEU ALA CYS ALA -SEQRES 14 B 349 ALA PRO PRO LEU VAL GLY TRP SER ARG TYR ILE PRO GLU -SEQRES 15 B 349 GLY MET GLN CYS SER CYS GLY ILE ASP TYR TYR THR PRO -SEQRES 16 B 349 HIS GLU GLU THR ASN ASN GLU SER PHE VAL ILE TYR MET -SEQRES 17 B 349 PHE VAL VAL HIS PHE ILE ILE PRO LEU ILE VAL ILE PHE -SEQRES 18 B 349 PHE CYS TYR GLY GLN LEU VAL PHE THR VAL LYS GLU ALA -SEQRES 19 B 349 ALA ALA GLN GLN GLN GLU SER ALA THR THR GLN LYS ALA -SEQRES 20 B 349 GLU LYS GLU VAL THR ARG MET VAL ILE ILE MET VAL ILE -SEQRES 21 B 349 ALA PHE LEU ILE CYS TRP LEU PRO TYR ALA GLY VAL ALA -SEQRES 22 B 349 PHE TYR ILE PHE THR HIS GLN GLY SER ASP PHE GLY PRO -SEQRES 23 B 349 ILE PHE MET THR ILE PRO ALA PHE PHE ALA LYS THR SER -SEQRES 24 B 349 ALA VAL TYR ASN PRO VAL ILE TYR ILE MET MET ASN LYS -SEQRES 25 B 349 GLN PHE ARG ASN CYS MET VAL THR THR LEU CYS CYS GLY -SEQRES 26 B 349 LYS ASN PRO LEU GLY ASP ASP GLU ALA SER THR THR VAL -SEQRES 27 B 349 SER LYS THR GLU THR SER GLN VAL ALA PRO ALA -MODRES 1U19 ASN A 2 ASN GLYCOSYLATION SITE -MODRES 1U19 ASN A 15 ASN GLYCOSYLATION SITE -MODRES 1U19 ASN B 2 ASN GLYCOSYLATION SITE -MODRES 1U19 ASN B 15 ASN GLYCOSYLATION SITE -HET ACE A 0 3 -HET ACE B 0 3 -HET NAG C 1 14 -HET NAG C 2 14 -HET MAN C 3 11 -HET NAG D 1 14 -HET NAG D 2 14 -HET NAG E 1 14 -HET NAG E 2 14 -HET BMA E 3 11 -HET BMA E 4 11 -HET NAG F 1 14 -HET NAG F 2 14 -HET HG A 901 1 -HET HG A 903 1 -HET HG A 905 1 -HET ZN A 957 1 -HET ZN A 959 1 -HET ZN A 962 1 -HET ZN A2011 1 -HET RET A1296 20 -HET PLM A1322 17 -HET PLM A1323 17 -HET PLM A1410 16 -HET HTG A1507 19 -HET HG B 902 1 -HET HG B 904 1 -HET HG B 906 1 -HET ZN B 956 1 -HET ZN B 958 1 -HET ZN B 963 1 -HET RET B1296 20 -HET PLM B1322 17 -HET PLM B1323 17 -HET HTO B1401 10 -HET PLM B1407 16 -HET HTG B1506 19 -HET HTG B1508 19 -HET HTG B1509 19 -HETNAM ACE ACETYL GROUP -HETNAM NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE -HETNAM MAN ALPHA-D-MANNOPYRANOSE -HETNAM BMA BETA-D-MANNOPYRANOSE -HETNAM HG MERCURY (II) ION -HETNAM ZN ZINC ION -HETNAM RET RETINAL -HETNAM PLM PALMITIC ACID -HETNAM HTG HEPTYL 1-THIO-BETA-D-GLUCOPYRANOSIDE -HETNAM HTO HEPTANE-1,2,3-TRIOL -HETSYN NAG N-ACETYL-BETA-D-GLUCOSAMINE; 2-ACETAMIDO-2-DEOXY-BETA- -HETSYN 2 NAG D-GLUCOSE; 2-ACETAMIDO-2-DEOXY-D-GLUCOSE; 2-ACETAMIDO- -HETSYN 3 NAG 2-DEOXY-GLUCOSE; N-ACETYL-D-GLUCOSAMINE -HETSYN MAN ALPHA-D-MANNOSE; D-MANNOSE; MANNOSE -HETSYN BMA BETA-D-MANNOSE; D-MANNOSE; MANNOSE -HETSYN HTG HEPTYL 1-THIOHEXOPYRANOSIDE; HEPTYL 1-THIO-BETA-D- -HETSYN 2 HTG GLUCOSIDE; HEPTYL 1-THIO-D-GLUCOSIDE; HEPTYL 1-THIO- -HETSYN 3 HTG GLUCOSIDE -FORMUL 1 ACE 2(C2 H4 O) -FORMUL 3 NAG 8(C8 H15 N O6) -FORMUL 3 MAN C6 H12 O6 -FORMUL 5 BMA 2(C6 H12 O6) -FORMUL 7 HG 6(HG 2+) -FORMUL 10 ZN 7(ZN 2+) -FORMUL 14 RET 2(C20 H28 O) -FORMUL 15 PLM 6(C16 H32 O2) -FORMUL 18 HTG 4(C13 H26 O5 S) -FORMUL 28 HTO C7 H16 O3 -FORMUL 33 HOH *66(H2 O) -HELIX 1 1 GLU A 33 HIS A 65 1 33 -HELIX 2 2 THR A 70 GLY A 90 1 21 -HELIX 3 3 GLY A 90 GLY A 101 1 12 -HELIX 4 4 PHE A 105 CYS A 140 1 36 -HELIX 5 5 GLY A 149 ALA A 169 1 21 -HELIX 6 6 PRO A 170 VAL A 173 5 4 -HELIX 7 7 HIS A 195 THR A 198 5 4 -HELIX 8 8 ASN A 199 HIS A 211 1 13 -HELIX 9 9 PHE A 212 GLY A 224 1 13 -HELIX 10 10 ALA A 241 HIS A 278 1 38 -HELIX 11 11 GLY A 284 ALA A 295 1 12 -HELIX 12 12 LYS A 296 ALA A 299 5 4 -HELIX 13 13 VAL A 300 MET A 309 1 10 -HELIX 14 14 ASN A 310 CYS A 322 1 13 -HELIX 15 15 GLU B 33 HIS B 65 1 33 -HELIX 16 16 THR B 70 GLY B 90 1 21 -HELIX 17 17 GLY B 90 GLY B 101 1 12 -HELIX 18 18 PHE B 105 CYS B 140 1 36 -HELIX 19 19 GLY B 149 ALA B 169 1 21 -HELIX 20 20 PRO B 170 VAL B 173 5 4 -HELIX 21 21 HIS B 195 THR B 198 5 4 -HELIX 22 22 ASN B 199 VAL B 210 1 12 -HELIX 23 23 PHE B 212 LEU B 226 1 15 -HELIX 24 24 ALA B 241 ALA B 246 1 6 -HELIX 25 25 GLU B 247 THR B 277 1 31 -HELIX 26 26 GLY B 284 LYS B 296 1 13 -HELIX 27 27 THR B 297 ALA B 299 5 3 -HELIX 28 28 VAL B 300 ASN B 310 1 11 -HELIX 29 29 ASN B 310 CYS B 322 1 13 -SHEET 1 A 2 THR A 4 GLU A 5 0 -SHEET 2 A 2 TYR A 10 VAL A 11 -1 O VAL A 11 N THR A 4 -SHEET 1 B 2 ILE A 179 GLU A 181 0 -SHEET 2 B 2 SER A 186 GLY A 188 -1 O GLY A 188 N ILE A 179 -SHEET 1 C 2 THR B 4 GLU B 5 0 -SHEET 2 C 2 TYR B 10 VAL B 11 -1 O VAL B 11 N THR B 4 -SHEET 1 D 2 TYR B 178 GLU B 181 0 -SHEET 2 D 2 SER B 186 ILE B 189 -1 O GLY B 188 N ILE B 179 -SSBOND 1 CYS A 110 CYS A 187 1555 1555 2.02 -SSBOND 2 CYS B 110 CYS B 187 1555 1555 2.03 -LINK C ACE A 0 N MET A 1 1555 1555 1.35 -LINK ND2 ASN A 2 C1 NAG D 1 1555 1555 1.44 -LINK ND2 ASN A 15 C1 NAG C 1 1555 1555 1.45 -LINK NZ LYS A 296 C15 RET A1296 1555 1555 1.33 -LINK SG CYS A 322 C1 PLM A1322 1555 1555 1.86 -LINK SG CYS A 323 C1 PLM A1323 1555 1555 1.89 -LINK C ACE B 0 N MET B 1 1555 1555 1.35 -LINK ND2 ASN B 2 C1 NAG F 1 1555 1555 1.45 -LINK ND2 ASN B 15 C1 NAG E 1 1555 1555 1.44 -LINK NZ LYS B 296 C15 RET B1296 1555 1555 1.34 -LINK SG CYS B 322 C1 PLM B1322 1555 1555 1.89 -LINK SG CYS B 323 C1 PLM B1323 1555 1555 1.90 -LINK O4 NAG C 1 C1 NAG C 2 1555 1555 1.40 -LINK O4 NAG C 2 C1 MAN C 3 1555 1555 1.40 -LINK O4 NAG D 1 C1 NAG D 2 1555 1555 1.38 -LINK O4 NAG E 1 C1 NAG E 2 1555 1555 1.38 -LINK O4 NAG E 2 C1 BMA E 3 1555 1555 1.38 -LINK O3 BMA E 3 C1 BMA E 4 1555 1555 1.40 -LINK O4 NAG F 1 C1 NAG F 2 1555 1555 1.39 -LINK OE1 GLU A 122 ZN ZN A 962 1555 1555 2.61 -LINK NE1 TRP A 126 ZN ZN A 962 1555 1555 2.67 -LINK O MET A 163 ZN ZN A 962 1555 1555 2.67 -LINK NE2 HIS A 195 ZN ZN A2011 1555 1555 2.20 -LINK OE1 GLU A 197 ZN ZN A2011 1555 1555 2.41 -LINK OE1 GLU A 201 ZN ZN A 957 1555 1555 2.31 -LINK OE2 GLU A 201 ZN ZN A 957 1555 1555 2.00 -LINK ND1 HIS A 211 ZN ZN A 962 1555 1555 2.43 -LINK SG CYS A 222 HG HG A 903 1555 1555 2.35 -LINK SG CYS A 264 HG HG A 901 1555 1555 2.82 -LINK NE2 GLN A 279 ZN ZN A 957 1555 1555 1.72 -LINK OG1 THR A 297 HG HG A 901 1555 1555 3.08 -LINK NZ LYS A 311 ZN ZN A 959 1555 1555 1.83 -LINK O GLN A 312 HG HG A 905 1555 1555 3.17 -LINK SG CYS A 316 HG HG A 905 1555 1555 2.47 -LINK N ASP A 330 ZN ZN A 959 1555 1555 2.43 -LINK HG HG A 905 O HOH A2061 1555 1555 2.60 -LINK ND1 HIS B 65 HG HG B 906 1555 1555 2.72 -LINK NE1 TRP B 126 ZN ZN B 963 1555 1555 2.47 -LINK NE2 HIS B 195 ZN ZN B 956 1555 1555 2.06 -LINK OE1 GLU B 197 ZN ZN B 956 1555 1555 2.09 -LINK OE2 GLU B 201 ZN ZN B 958 1555 1555 2.15 -LINK OE1 GLU B 201 ZN ZN B 958 1555 1555 2.43 -LINK ND1 HIS B 211 ZN ZN B 963 1555 1555 2.44 -LINK SG CYS B 264 HG HG B 902 1555 1555 2.68 -LINK NE2 GLN B 279 ZN ZN B 958 1555 1555 1.85 -LINK SG CYS B 316 HG HG B 906 1555 1555 2.37 -LINK O THR B 336 HG HG B 906 1555 1555 2.05 -LINK O VAL B 337 HG HG B 906 1555 1555 1.99 -CRYST1 96.680 96.680 150.200 90.00 90.00 90.00 P 41 8 -ORIGX1 1.000000 0.000000 0.000000 0.00000 -ORIGX2 0.000000 1.000000 0.000000 0.00000 -ORIGX3 0.000000 0.000000 1.000000 0.00000 -SCALE1 0.010343 0.000000 0.000000 0.00000 -SCALE2 0.000000 0.010343 0.000000 0.00000 -SCALE3 0.000000 0.000000 0.006658 0.00000 -HETATM 1 C ACE A 0 53.553 -7.050 35.606 1.00 0.00 C -HETATM 2 O ACE A 0 52.916 -7.860 34.934 1.00 0.00 O -HETATM 3 CH3 ACE A 0 54.727 -7.523 36.434 1.00 0.00 C -ATOM 4 N MET A 1 53.284 -5.731 35.670 1.00 0.01 N -ATOM 5 CA MET A 1 52.214 -5.077 34.913 1.00 0.01 C -ATOM 6 C MET A 1 52.674 -4.891 33.485 1.00 0.01 C -ATOM 7 O MET A 1 53.849 -4.563 33.283 1.00 0.01 O -ATOM 8 CB MET A 1 51.887 -3.719 35.536 1.00 0.01 C -ATOM 9 CG MET A 1 51.426 -3.792 36.982 1.00 0.01 C -ATOM 10 SD MET A 1 49.945 -4.797 37.183 1.00 0.01 S -ATOM 11 CE MET A 1 48.647 -3.745 36.534 1.00 0.01 C -ATOM 12 N ASN A 2 51.781 -5.083 32.508 1.00 0.34 N -ATOM 13 CA ASN A 2 52.150 -4.950 31.087 1.00 0.34 C -ATOM 14 C ASN A 2 52.395 -3.519 30.683 1.00 0.34 C -ATOM 15 O ASN A 2 53.065 -3.284 29.678 1.00 0.34 O -ATOM 16 CB ASN A 2 51.073 -5.523 30.174 1.00 0.34 C -ATOM 17 CG ASN A 2 50.985 -7.005 30.265 1.00 0.34 C -ATOM 18 OD1 ASN A 2 51.963 -7.709 30.034 1.00 0.34 O -ATOM 19 ND2 ASN A 2 49.803 -7.490 30.614 1.00 0.34 N -ATOM 20 N GLY A 3 51.852 -2.565 31.430 1.00 0.84 N -ATOM 21 CA GLY A 3 52.066 -1.173 31.079 1.00 0.84 C -ATOM 22 C GLY A 3 52.411 -0.330 32.284 1.00 0.84 C -ATOM 23 O GLY A 3 52.493 -0.830 33.401 1.00 0.84 O -ATOM 24 N THR A 4 52.612 0.959 32.058 1.00 0.22 N -ATOM 25 CA THR A 4 52.934 1.847 33.150 1.00 0.22 C -ATOM 26 C THR A 4 51.822 2.840 33.331 1.00 0.22 C -ATOM 27 O THR A 4 51.792 3.855 32.649 1.00 0.22 O -ATOM 28 CB THR A 4 54.234 2.605 32.893 1.00 0.22 C -ATOM 29 OG1 THR A 4 55.307 1.673 32.708 1.00 0.22 O -ATOM 30 CG2 THR A 4 54.550 3.501 34.066 1.00 0.22 C -ATOM 31 N GLU A 5 50.892 2.538 34.230 1.00 0.19 N -ATOM 32 CA GLU A 5 49.806 3.456 34.501 1.00 0.19 C -ATOM 33 C GLU A 5 50.366 4.630 35.284 1.00 0.19 C -ATOM 34 O GLU A 5 51.260 4.459 36.117 1.00 0.19 O -ATOM 35 CB GLU A 5 48.692 2.777 35.311 1.00 0.19 C -ATOM 36 CG GLU A 5 47.593 3.735 35.718 1.00 0.19 C -ATOM 37 CD GLU A 5 46.549 3.105 36.608 1.00 0.19 C -ATOM 38 OE1 GLU A 5 46.928 2.306 37.491 1.00 0.19 O -ATOM 39 OE2 GLU A 5 45.349 3.422 36.446 1.00 0.19 O -ATOM 40 N GLY A 6 49.862 5.825 34.990 1.00 2.22 N -ATOM 41 CA GLY A 6 50.272 7.030 35.685 1.00 2.22 C -ATOM 42 C GLY A 6 48.999 7.650 36.225 1.00 2.22 C -ATOM 43 O GLY A 6 47.890 7.161 35.969 1.00 2.22 O -ATOM 44 N PRO A 7 49.108 8.730 36.986 1.00 0.82 N -ATOM 45 CA PRO A 7 47.863 9.320 37.505 1.00 0.82 C -ATOM 46 C PRO A 7 47.119 10.088 36.431 1.00 0.82 C -ATOM 47 O PRO A 7 45.931 10.411 36.548 1.00 0.82 O -ATOM 48 CB PRO A 7 48.370 10.237 38.618 1.00 0.82 C -ATOM 49 CG PRO A 7 49.761 10.634 38.120 1.00 0.82 C -ATOM 50 CD PRO A 7 50.312 9.369 37.548 1.00 0.82 C -ATOM 51 N ASN A 8 47.841 10.286 35.344 1.00 0.19 N -ATOM 52 CA ASN A 8 47.426 11.107 34.234 1.00 0.19 C -ATOM 53 C ASN A 8 47.567 10.424 32.892 1.00 0.19 C -ATOM 54 O ASN A 8 47.100 10.977 31.880 1.00 0.19 O -ATOM 55 CB ASN A 8 48.379 12.268 34.238 1.00 0.19 C -ATOM 56 CG ASN A 8 47.731 13.509 33.908 1.00 0.19 C -ATOM 57 OD1 ASN A 8 48.398 14.520 33.753 1.00 0.19 O -ATOM 58 ND2 ASN A 8 46.399 13.482 33.800 1.00 0.19 N -ATOM 59 N PHE A 9 48.231 9.266 32.874 1.00 2.62 N -ATOM 60 CA PHE A 9 48.540 8.536 31.639 1.00 2.62 C -ATOM 61 C PHE A 9 48.580 7.025 31.835 1.00 2.62 C -ATOM 62 O PHE A 9 48.221 6.505 32.882 1.00 2.62 O -ATOM 63 CB PHE A 9 49.918 8.966 31.158 1.00 2.62 C -ATOM 64 CG PHE A 9 51.008 8.757 32.190 1.00 2.62 C -ATOM 65 CD1 PHE A 9 51.316 9.755 33.112 1.00 2.62 C -ATOM 66 CD2 PHE A 9 51.703 7.551 32.256 1.00 2.62 C -ATOM 67 CE1 PHE A 9 52.306 9.555 34.090 1.00 2.62 C -ATOM 68 CE2 PHE A 9 52.692 7.343 33.228 1.00 2.62 C -ATOM 69 CZ PHE A 9 52.993 8.348 34.146 1.00 2.62 C -ATOM 70 N TYR A 10 49.050 6.338 30.797 1.00 0.43 N -ATOM 71 CA TYR A 10 49.199 4.888 30.789 1.00 0.43 C -ATOM 72 C TYR A 10 50.099 4.537 29.625 1.00 0.43 C -ATOM 73 O TYR A 10 49.626 4.418 28.500 1.00 0.43 O -ATOM 74 CB TYR A 10 47.841 4.184 30.619 1.00 0.43 C -ATOM 75 CG TYR A 10 47.953 2.680 30.679 1.00 0.43 C -ATOM 76 CD1 TYR A 10 48.026 2.018 31.909 1.00 0.43 C -ATOM 77 CD2 TYR A 10 48.070 1.917 29.510 1.00 0.43 C -ATOM 78 CE1 TYR A 10 48.216 0.634 31.976 1.00 0.43 C -ATOM 79 CE2 TYR A 10 48.259 0.537 29.568 1.00 0.43 C -ATOM 80 CZ TYR A 10 48.330 -0.093 30.806 1.00 0.43 C -ATOM 81 OH TYR A 10 48.496 -1.451 30.889 1.00 0.43 O -ATOM 82 N VAL A 11 51.395 4.393 29.871 1.00 0.04 N -ATOM 83 CA VAL A 11 52.287 4.053 28.779 1.00 0.04 C -ATOM 84 C VAL A 11 52.197 2.565 28.521 1.00 0.04 C -ATOM 85 O VAL A 11 52.307 1.777 29.448 1.00 0.04 O -ATOM 86 CB VAL A 11 53.758 4.442 29.079 1.00 0.04 C -ATOM 87 CG1 VAL A 11 54.618 4.187 27.848 1.00 0.04 C -ATOM 88 CG2 VAL A 11 53.847 5.904 29.466 1.00 0.04 C -ATOM 89 N PRO A 12 51.963 2.171 27.257 1.00 0.00 N -ATOM 90 CA PRO A 12 51.848 0.771 26.838 1.00 0.00 C -ATOM 91 C PRO A 12 53.239 0.155 26.770 1.00 0.00 C -ATOM 92 O PRO A 12 53.647 -0.401 25.736 1.00 0.00 O -ATOM 93 CB PRO A 12 51.162 0.889 25.474 1.00 0.00 C -ATOM 94 CG PRO A 12 51.713 2.158 24.938 1.00 0.00 C -ATOM 95 CD PRO A 12 51.725 3.083 26.118 1.00 0.00 C -ATOM 96 N PHE A 13 53.950 0.261 27.891 1.00 0.43 N -ATOM 97 CA PHE A 13 55.333 -0.212 28.016 1.00 0.43 C -ATOM 98 C PHE A 13 55.626 -0.516 29.474 1.00 0.43 C -ATOM 99 O PHE A 13 55.219 0.232 30.362 1.00 0.43 O -ATOM 100 CB PHE A 13 56.288 0.887 27.537 1.00 0.43 C -ATOM 101 CG PHE A 13 57.681 0.418 27.230 1.00 0.43 C -ATOM 102 CD1 PHE A 13 57.982 -0.149 25.984 1.00 0.43 C -ATOM 103 CD2 PHE A 13 58.708 0.603 28.151 1.00 0.43 C -ATOM 104 CE1 PHE A 13 59.290 -0.516 25.652 1.00 0.43 C -ATOM 105 CE2 PHE A 13 60.016 0.241 27.835 1.00 0.43 C -ATOM 106 CZ PHE A 13 60.311 -0.319 26.581 1.00 0.43 C -ATOM 107 N SER A 14 56.354 -1.599 29.707 1.00 0.01 N -ATOM 108 CA SER A 14 56.692 -2.019 31.054 1.00 0.01 C -ATOM 109 C SER A 14 57.785 -1.128 31.617 1.00 0.01 C -ATOM 110 O SER A 14 58.592 -0.602 30.850 1.00 0.01 O -ATOM 111 CB SER A 14 57.167 -3.471 31.024 1.00 0.01 C -ATOM 112 OG SER A 14 57.246 -4.016 32.331 1.00 0.01 O -ATOM 113 N ASN A 15 57.810 -0.956 32.939 1.00 0.00 N -ATOM 114 CA ASN A 15 58.832 -0.135 33.587 1.00 0.00 C -ATOM 115 C ASN A 15 59.731 -1.029 34.442 1.00 0.00 C -ATOM 116 O ASN A 15 60.247 -0.577 35.471 1.00 0.00 O -ATOM 117 CB ASN A 15 58.179 0.945 34.454 1.00 0.00 C -ATOM 118 CG ASN A 15 59.129 2.060 34.782 1.00 0.00 C -ATOM 119 OD1 ASN A 15 59.832 2.525 33.907 1.00 0.00 O -ATOM 120 ND2 ASN A 15 59.162 2.507 36.028 1.00 0.00 N -ATOM 121 N LYS A 16 59.905 -2.287 34.011 1.00 0.29 N -ATOM 122 CA LYS A 16 60.736 -3.271 34.718 1.00 0.29 C -ATOM 123 C LYS A 16 62.155 -2.805 34.704 1.00 0.29 C -ATOM 124 O LYS A 16 62.926 -3.142 35.605 1.00 0.29 O -ATOM 125 CB LYS A 16 60.673 -4.654 34.057 1.00 0.29 C -ATOM 126 CG LYS A 16 61.525 -5.686 34.800 1.00 0.29 C -ATOM 127 CD LYS A 16 61.731 -7.015 34.055 1.00 0.29 C -ATOM 128 CE LYS A 16 62.625 -7.964 34.882 1.00 0.29 C -ATOM 129 NZ LYS A 16 62.719 -9.361 34.344 1.00 0.29 N -ATOM 130 N THR A 17 62.505 -2.039 33.681 1.00 0.33 N -ATOM 131 CA THR A 17 63.848 -1.499 33.561 1.00 0.33 C -ATOM 132 C THR A 17 63.832 -0.043 33.975 1.00 0.33 C -ATOM 133 O THR A 17 64.803 0.688 33.740 1.00 0.33 O -ATOM 134 CB THR A 17 64.328 -1.586 32.141 1.00 0.33 C -ATOM 135 OG1 THR A 17 63.554 -0.691 31.322 1.00 0.33 O -ATOM 136 CG2 THR A 17 64.176 -3.017 31.650 1.00 0.33 C -ATOM 137 N GLY A 18 62.723 0.374 34.580 1.00 0.01 N -ATOM 138 CA GLY A 18 62.572 1.744 35.044 1.00 0.01 C -ATOM 139 C GLY A 18 62.947 2.804 34.031 1.00 0.01 C -ATOM 140 O GLY A 18 63.367 3.885 34.408 1.00 0.01 O -ATOM 141 N VAL A 19 62.776 2.495 32.750 1.00 0.07 N -ATOM 142 CA VAL A 19 63.112 3.416 31.681 1.00 0.07 C -ATOM 143 C VAL A 19 61.884 4.252 31.278 1.00 0.07 C -ATOM 144 O VAL A 19 62.037 5.215 30.556 1.00 0.07 O -ATOM 145 CB VAL A 19 63.685 2.624 30.456 1.00 0.07 C -ATOM 146 CG1 VAL A 19 62.599 1.837 29.786 1.00 0.07 C -ATOM 147 CG2 VAL A 19 64.329 3.553 29.470 1.00 0.07 C -ATOM 148 N VAL A 20 60.694 3.915 31.768 1.00 0.00 N -ATOM 149 CA VAL A 20 59.478 4.646 31.398 1.00 0.00 C -ATOM 150 C VAL A 20 59.423 6.007 32.066 1.00 0.00 C -ATOM 151 O VAL A 20 59.819 6.127 33.209 1.00 0.00 O -ATOM 152 CB VAL A 20 58.205 3.833 31.756 1.00 0.00 C -ATOM 153 CG1 VAL A 20 56.961 4.658 31.467 1.00 0.00 C -ATOM 154 CG2 VAL A 20 58.164 2.530 30.955 1.00 0.00 C -ATOM 155 N ARG A 21 58.911 7.015 31.352 1.00 1.98 N -ATOM 156 CA ARG A 21 58.828 8.402 31.848 1.00 1.98 C -ATOM 157 C ARG A 21 57.547 9.106 31.407 1.00 1.98 C -ATOM 158 O ARG A 21 57.187 8.988 30.241 1.00 1.98 O -ATOM 159 CB ARG A 21 60.010 9.191 31.307 1.00 1.98 C -ATOM 160 CG ARG A 21 61.353 8.607 31.683 1.00 1.98 C -ATOM 161 CD ARG A 21 62.197 9.698 32.291 1.00 1.98 C -ATOM 162 NE ARG A 21 61.432 10.420 33.309 1.00 1.98 N -ATOM 163 CZ ARG A 21 61.717 11.653 33.734 1.00 1.98 C -ATOM 164 NH1 ARG A 21 62.763 12.312 33.223 1.00 1.98 N -ATOM 165 NH2 ARG A 21 60.949 12.233 34.666 1.00 1.98 N -ATOM 166 N SER A 22 56.903 9.862 32.305 1.00 1.41 N -ATOM 167 CA SER A 22 55.651 10.597 32.008 1.00 1.41 C -ATOM 168 C SER A 22 55.704 11.282 30.658 1.00 1.41 C -ATOM 169 O SER A 22 56.594 12.087 30.430 1.00 1.41 O -ATOM 170 CB SER A 22 55.389 11.662 33.072 1.00 1.41 C -ATOM 171 OG SER A 22 54.229 12.418 32.757 1.00 1.41 O -ATOM 172 N PRO A 23 54.732 11.009 29.760 1.00 0.01 N -ATOM 173 CA PRO A 23 54.726 11.630 28.430 1.00 0.01 C -ATOM 174 C PRO A 23 54.341 13.082 28.483 1.00 0.01 C -ATOM 175 O PRO A 23 54.016 13.667 27.469 1.00 0.01 O -ATOM 176 CB PRO A 23 53.735 10.777 27.663 1.00 0.01 C -ATOM 177 CG PRO A 23 52.723 10.464 28.702 1.00 0.01 C -ATOM 178 CD PRO A 23 53.532 10.174 29.948 1.00 0.01 C -ATOM 179 N PHE A 24 54.360 13.647 29.686 1.00 0.25 N -ATOM 180 CA PHE A 24 54.078 15.063 29.913 1.00 0.25 C -ATOM 181 C PHE A 24 55.315 15.645 30.541 1.00 0.25 C -ATOM 182 O PHE A 24 55.250 16.738 31.071 1.00 0.25 O -ATOM 183 CB PHE A 24 52.938 15.260 30.909 1.00 0.25 C -ATOM 184 CG PHE A 24 51.590 14.858 30.397 1.00 0.25 C -ATOM 185 CD1 PHE A 24 51.072 15.428 29.239 1.00 0.25 C -ATOM 186 CD2 PHE A 24 50.818 13.943 31.102 1.00 0.25 C -ATOM 187 CE1 PHE A 24 49.808 15.099 28.794 1.00 0.25 C -ATOM 188 CE2 PHE A 24 49.552 13.605 30.665 1.00 0.25 C -ATOM 189 CZ PHE A 24 49.046 14.186 29.508 1.00 0.25 C -ATOM 190 N GLU A 25 56.429 14.918 30.486 1.00 0.01 N -ATOM 191 CA GLU A 25 57.647 15.378 31.113 1.00 0.01 C -ATOM 192 C GLU A 25 58.918 14.995 30.361 1.00 0.01 C -ATOM 193 O GLU A 25 59.924 15.683 30.529 1.00 0.01 O -ATOM 194 CB GLU A 25 57.708 14.825 32.526 1.00 0.01 C -ATOM 195 CG GLU A 25 56.917 15.584 33.548 1.00 0.01 C -ATOM 196 CD GLU A 25 56.531 14.693 34.719 1.00 0.01 C -ATOM 197 OE1 GLU A 25 57.301 13.750 35.062 1.00 0.01 O -ATOM 198 OE2 GLU A 25 55.446 14.935 35.303 1.00 0.01 O -ATOM 199 N ALA A 26 58.924 13.930 29.564 1.00 0.00 N -ATOM 200 CA ALA A 26 60.165 13.571 28.858 1.00 0.00 C -ATOM 201 C ALA A 26 59.896 12.837 27.550 1.00 0.00 C -ATOM 202 O ALA A 26 58.817 12.291 27.380 1.00 0.00 O -ATOM 203 CB ALA A 26 61.046 12.712 29.765 1.00 0.00 C -ATOM 204 N PRO A 27 60.866 12.836 26.606 1.00 0.16 N -ATOM 205 CA PRO A 27 60.715 12.152 25.320 1.00 0.16 C -ATOM 206 C PRO A 27 60.406 10.708 25.576 1.00 0.16 C -ATOM 207 O PRO A 27 60.808 10.194 26.609 1.00 0.16 O -ATOM 208 CB PRO A 27 62.080 12.331 24.674 1.00 0.16 C -ATOM 209 CG PRO A 27 62.468 13.651 25.137 1.00 0.16 C -ATOM 210 CD PRO A 27 62.109 13.619 26.604 1.00 0.16 C -ATOM 211 N GLN A 28 59.715 10.059 24.641 1.00 0.05 N -ATOM 212 CA GLN A 28 59.331 8.658 24.776 1.00 0.05 C -ATOM 213 C GLN A 28 60.120 7.781 23.799 1.00 0.05 C -ATOM 214 O GLN A 28 59.625 6.738 23.392 1.00 0.05 O -ATOM 215 CB GLN A 28 57.828 8.535 24.505 1.00 0.05 C -ATOM 216 CG GLN A 28 56.966 9.492 25.319 1.00 0.05 C -ATOM 217 CD GLN A 28 56.926 9.146 26.804 1.00 0.05 C -ATOM 218 OE1 GLN A 28 56.602 8.027 27.172 1.00 0.05 O -ATOM 219 NE2 GLN A 28 57.247 10.108 27.660 1.00 0.05 N -ATOM 220 N TYR A 29 61.344 8.173 23.459 1.00 0.10 N -ATOM 221 CA TYR A 29 62.138 7.425 22.485 1.00 0.10 C -ATOM 222 C TYR A 29 62.484 6.064 22.939 1.00 0.10 C -ATOM 223 O TYR A 29 63.082 5.310 22.189 1.00 0.10 O -ATOM 224 CB TYR A 29 63.405 8.189 22.124 1.00 0.10 C -ATOM 225 CG TYR A 29 63.067 9.537 21.556 1.00 0.10 C -ATOM 226 CD1 TYR A 29 61.981 9.687 20.703 1.00 0.10 C -ATOM 227 CD2 TYR A 29 63.785 10.669 21.913 1.00 0.10 C -ATOM 228 CE1 TYR A 29 61.609 10.919 20.227 1.00 0.10 C -ATOM 229 CE2 TYR A 29 63.422 11.917 21.435 1.00 0.10 C -ATOM 230 CZ TYR A 29 62.330 12.036 20.592 1.00 0.10 C -ATOM 231 OH TYR A 29 61.960 13.271 20.101 1.00 0.10 O -ATOM 232 N TYR A 30 62.125 5.725 24.159 1.00 0.02 N -ATOM 233 CA TYR A 30 62.433 4.402 24.617 1.00 0.02 C -ATOM 234 C TYR A 30 61.305 3.496 24.187 1.00 0.02 C -ATOM 235 O TYR A 30 61.389 2.304 24.393 1.00 0.02 O -ATOM 236 CB TYR A 30 62.600 4.419 26.136 1.00 0.02 C -ATOM 237 CG TYR A 30 61.363 4.854 26.851 1.00 0.02 C -ATOM 238 CD1 TYR A 30 60.302 3.979 27.005 1.00 0.02 C -ATOM 239 CD2 TYR A 30 61.223 6.153 27.324 1.00 0.02 C -ATOM 240 CE1 TYR A 30 59.129 4.378 27.603 1.00 0.02 C -ATOM 241 CE2 TYR A 30 60.041 6.569 27.936 1.00 0.02 C -ATOM 242 CZ TYR A 30 58.999 5.666 28.066 1.00 0.02 C -ATOM 243 OH TYR A 30 57.805 6.014 28.647 1.00 0.02 O -ATOM 244 N LEU A 31 60.262 4.072 23.589 1.00 0.00 N -ATOM 245 CA LEU A 31 59.087 3.329 23.116 1.00 0.00 C -ATOM 246 C LEU A 31 59.256 2.971 21.676 1.00 0.00 C -ATOM 247 O LEU A 31 58.658 2.005 21.199 1.00 0.00 O -ATOM 248 CB LEU A 31 57.832 4.188 23.165 1.00 0.00 C -ATOM 249 CG LEU A 31 57.191 4.654 24.449 1.00 0.00 C -ATOM 250 CD1 LEU A 31 55.960 5.418 24.083 1.00 0.00 C -ATOM 251 CD2 LEU A 31 56.826 3.480 25.315 1.00 0.00 C -ATOM 252 N ALA A 32 60.037 3.786 20.978 1.00 0.07 N -ATOM 253 CA ALA A 32 60.261 3.617 19.558 1.00 0.07 C -ATOM 254 C ALA A 32 61.471 4.419 19.137 1.00 0.07 C -ATOM 255 O ALA A 32 61.936 5.278 19.885 1.00 0.07 O -ATOM 256 CB ALA A 32 59.030 4.098 18.803 1.00 0.07 C -ATOM 257 N GLU A 33 61.964 4.152 17.932 1.00 0.10 N -ATOM 258 CA GLU A 33 63.119 4.851 17.385 1.00 0.10 C -ATOM 259 C GLU A 33 62.800 6.314 17.187 1.00 0.10 C -ATOM 260 O GLU A 33 61.661 6.665 16.872 1.00 0.10 O -ATOM 261 CB GLU A 33 63.494 4.241 16.045 1.00 0.10 C -ATOM 262 CG GLU A 33 63.499 2.755 16.104 1.00 0.10 C -ATOM 263 CD GLU A 33 64.373 2.274 17.232 1.00 0.10 C -ATOM 264 OE1 GLU A 33 65.610 2.358 17.067 1.00 0.10 O -ATOM 265 OE2 GLU A 33 63.833 1.838 18.285 1.00 0.10 O -ATOM 266 N PRO A 34 63.793 7.197 17.374 1.00 0.15 N -ATOM 267 CA PRO A 34 63.543 8.626 17.189 1.00 0.15 C -ATOM 268 C PRO A 34 63.112 9.007 15.777 1.00 0.15 C -ATOM 269 O PRO A 34 62.327 9.949 15.614 1.00 0.15 O -ATOM 270 CB PRO A 34 64.869 9.251 17.599 1.00 0.15 C -ATOM 271 CG PRO A 34 65.290 8.358 18.716 1.00 0.15 C -ATOM 272 CD PRO A 34 65.045 6.987 18.127 1.00 0.15 C -ATOM 273 N TRP A 35 63.589 8.287 14.765 1.00 0.04 N -ATOM 274 CA TRP A 35 63.213 8.603 13.389 1.00 0.04 C -ATOM 275 C TRP A 35 61.724 8.407 13.166 1.00 0.04 C -ATOM 276 O TRP A 35 61.135 9.090 12.330 1.00 0.04 O -ATOM 277 CB TRP A 35 63.991 7.742 12.390 1.00 0.04 C -ATOM 278 CG TRP A 35 63.684 6.279 12.420 1.00 0.04 C -ATOM 279 CD1 TRP A 35 64.343 5.317 13.124 1.00 0.04 C -ATOM 280 CD2 TRP A 35 62.660 5.605 11.681 1.00 0.04 C -ATOM 281 NE1 TRP A 35 63.798 4.078 12.866 1.00 0.04 N -ATOM 282 CE2 TRP A 35 62.763 4.229 11.983 1.00 0.04 C -ATOM 283 CE3 TRP A 35 61.668 6.030 10.792 1.00 0.04 C -ATOM 284 CZ2 TRP A 35 61.914 3.277 11.428 1.00 0.04 C -ATOM 285 CZ3 TRP A 35 60.822 5.082 10.240 1.00 0.04 C -ATOM 286 CH2 TRP A 35 60.951 3.721 10.560 1.00 0.04 C -ATOM 287 N GLN A 36 61.123 7.482 13.904 1.00 7.10 N -ATOM 288 CA GLN A 36 59.707 7.207 13.778 1.00 7.10 C -ATOM 289 C GLN A 36 58.915 8.385 14.301 1.00 7.10 C -ATOM 290 O GLN A 36 57.848 8.663 13.803 1.00 7.10 O -ATOM 291 CB GLN A 36 59.390 5.919 14.526 1.00 7.10 C -ATOM 292 CG GLN A 36 60.213 4.738 13.997 1.00 7.10 C -ATOM 293 CD GLN A 36 59.927 3.422 14.708 1.00 7.10 C -ATOM 294 OE1 GLN A 36 60.240 3.254 15.883 1.00 7.10 O -ATOM 295 NE2 GLN A 36 59.327 2.480 13.985 1.00 7.10 N -ATOM 296 N PHE A 37 59.426 9.088 15.296 1.00 2.31 N -ATOM 297 CA PHE A 37 58.703 10.249 15.755 1.00 2.31 C -ATOM 298 C PHE A 37 58.813 11.294 14.690 1.00 2.31 C -ATOM 299 O PHE A 37 57.878 12.051 14.491 1.00 2.31 O -ATOM 300 CB PHE A 37 59.285 10.795 17.038 1.00 2.31 C -ATOM 301 CG PHE A 37 58.918 10.006 18.239 1.00 2.31 C -ATOM 302 CD1 PHE A 37 59.589 8.841 18.553 1.00 2.31 C -ATOM 303 CD2 PHE A 37 57.881 10.413 19.053 1.00 2.31 C -ATOM 304 CE1 PHE A 37 59.228 8.093 19.664 1.00 2.31 C -ATOM 305 CE2 PHE A 37 57.515 9.676 20.159 1.00 2.31 C -ATOM 306 CZ PHE A 37 58.186 8.519 20.466 1.00 2.31 C -ATOM 307 N SER A 38 59.958 11.336 14.007 1.00 0.36 N -ATOM 308 CA SER A 38 60.202 12.297 12.924 1.00 0.36 C -ATOM 309 C SER A 38 59.207 12.064 11.819 1.00 0.36 C -ATOM 310 O SER A 38 58.798 12.997 11.127 1.00 0.36 O -ATOM 311 CB SER A 38 61.613 12.116 12.372 1.00 0.36 C -ATOM 312 OG SER A 38 62.578 12.342 13.381 1.00 0.36 O -ATOM 313 N MET A 39 58.852 10.797 11.652 1.00 0.10 N -ATOM 314 CA MET A 39 57.880 10.365 10.672 1.00 0.10 C -ATOM 315 C MET A 39 56.569 11.008 11.016 1.00 0.10 C -ATOM 316 O MET A 39 55.965 11.657 10.169 1.00 0.10 O -ATOM 317 CB MET A 39 57.726 8.857 10.749 1.00 0.10 C -ATOM 318 CG MET A 39 58.821 8.082 10.078 1.00 0.10 C -ATOM 319 SD MET A 39 58.428 7.998 8.334 1.00 0.10 S -ATOM 320 CE MET A 39 59.203 9.645 7.679 1.00 0.10 C -ATOM 321 N LEU A 40 56.126 10.812 12.256 1.00 1.15 N -ATOM 322 CA LEU A 40 54.883 11.397 12.726 1.00 1.15 C -ATOM 323 C LEU A 40 54.941 12.869 12.486 1.00 1.15 C -ATOM 324 O LEU A 40 53.994 13.427 11.947 1.00 1.15 O -ATOM 325 CB LEU A 40 54.710 11.156 14.218 1.00 1.15 C -ATOM 326 CG LEU A 40 54.629 9.703 14.663 1.00 1.15 C -ATOM 327 CD1 LEU A 40 54.509 9.621 16.174 1.00 1.15 C -ATOM 328 CD2 LEU A 40 53.443 9.071 13.996 1.00 1.15 C -ATOM 329 N ALA A 41 56.058 13.490 12.869 1.00 0.45 N -ATOM 330 CA ALA A 41 56.248 14.930 12.709 1.00 0.45 C -ATOM 331 C ALA A 41 56.185 15.316 11.245 1.00 0.45 C -ATOM 332 O ALA A 41 55.431 16.217 10.886 1.00 0.45 O -ATOM 333 CB ALA A 41 57.568 15.358 13.316 1.00 0.45 C -ATOM 334 N ALA A 42 56.970 14.655 10.401 1.00 0.81 N -ATOM 335 CA ALA A 42 56.963 14.953 8.971 1.00 0.81 C -ATOM 336 C ALA A 42 55.532 14.826 8.451 1.00 0.81 C -ATOM 337 O ALA A 42 55.035 15.692 7.747 1.00 0.81 O -ATOM 338 CB ALA A 42 57.867 13.978 8.243 1.00 0.81 C -ATOM 339 N TYR A 43 54.882 13.732 8.821 1.00 15.20 N -ATOM 340 CA TYR A 43 53.511 13.441 8.435 1.00 15.20 C -ATOM 341 C TYR A 43 52.536 14.547 8.875 1.00 15.20 C -ATOM 342 O TYR A 43 51.799 15.103 8.040 1.00 15.20 O -ATOM 343 CB TYR A 43 53.117 12.121 9.067 1.00 15.20 C -ATOM 344 CG TYR A 43 51.668 11.756 8.935 1.00 15.20 C -ATOM 345 CD1 TYR A 43 51.130 11.391 7.712 1.00 15.20 C -ATOM 346 CD2 TYR A 43 50.857 11.683 10.058 1.00 15.20 C -ATOM 347 CE1 TYR A 43 49.820 10.941 7.616 1.00 15.20 C -ATOM 348 CE2 TYR A 43 49.551 11.243 9.982 1.00 15.20 C -ATOM 349 CZ TYR A 43 49.039 10.862 8.762 1.00 15.20 C -ATOM 350 OH TYR A 43 47.766 10.328 8.707 1.00 15.20 O -ATOM 351 N MET A 44 52.507 14.863 10.169 1.00 0.64 N -ATOM 352 CA MET A 44 51.590 15.896 10.653 1.00 0.64 C -ATOM 353 C MET A 44 51.838 17.168 9.921 1.00 0.64 C -ATOM 354 O MET A 44 50.926 17.948 9.709 1.00 0.64 O -ATOM 355 CB MET A 44 51.761 16.131 12.150 1.00 0.64 C -ATOM 356 CG MET A 44 51.219 15.010 13.012 1.00 0.64 C -ATOM 357 SD MET A 44 49.615 14.319 12.414 1.00 0.64 S -ATOM 358 CE MET A 44 48.565 15.793 12.245 1.00 0.64 C -ATOM 359 N PHE A 45 53.083 17.379 9.532 1.00 0.10 N -ATOM 360 CA PHE A 45 53.430 18.575 8.820 1.00 0.10 C -ATOM 361 C PHE A 45 52.747 18.605 7.457 1.00 0.10 C -ATOM 362 O PHE A 45 52.119 19.616 7.119 1.00 0.10 O -ATOM 363 CB PHE A 45 54.938 18.646 8.638 1.00 0.10 C -ATOM 364 CG PHE A 45 55.374 19.750 7.720 1.00 0.10 C -ATOM 365 CD1 PHE A 45 55.552 21.035 8.197 1.00 0.10 C -ATOM 366 CD2 PHE A 45 55.553 19.511 6.357 1.00 0.10 C -ATOM 367 CE1 PHE A 45 55.899 22.066 7.334 1.00 0.10 C -ATOM 368 CE2 PHE A 45 55.900 20.538 5.485 1.00 0.10 C -ATOM 369 CZ PHE A 45 56.073 21.815 5.970 1.00 0.10 C -ATOM 370 N LEU A 46 52.872 17.524 6.679 1.00 0.17 N -ATOM 371 CA LEU A 46 52.277 17.452 5.333 1.00 0.17 C -ATOM 372 C LEU A 46 50.786 17.547 5.395 1.00 0.17 C -ATOM 373 O LEU A 46 50.198 18.142 4.495 1.00 0.17 O -ATOM 374 CB LEU A 46 52.652 16.157 4.628 1.00 0.17 C -ATOM 375 CG LEU A 46 54.142 15.948 4.372 1.00 0.17 C -ATOM 376 CD1 LEU A 46 54.372 14.584 3.706 1.00 0.17 C -ATOM 377 CD2 LEU A 46 54.659 17.091 3.513 1.00 0.17 C -ATOM 378 N LEU A 47 50.172 16.953 6.425 1.00 1.21 N -ATOM 379 CA LEU A 47 48.713 17.013 6.612 1.00 1.21 C -ATOM 380 C LEU A 47 48.253 18.466 6.861 1.00 1.21 C -ATOM 381 O LEU A 47 47.184 18.866 6.406 1.00 1.21 O -ATOM 382 CB LEU A 47 48.273 16.162 7.815 1.00 1.21 C -ATOM 383 CG LEU A 47 47.751 14.736 7.677 1.00 1.21 C -ATOM 384 CD1 LEU A 47 47.138 14.306 9.018 1.00 1.21 C -ATOM 385 CD2 LEU A 47 46.702 14.664 6.591 1.00 1.21 C -ATOM 386 N ILE A 48 49.035 19.242 7.603 1.00 0.89 N -ATOM 387 CA ILE A 48 48.662 20.616 7.875 1.00 0.89 C -ATOM 388 C ILE A 48 48.820 21.416 6.613 1.00 0.89 C -ATOM 389 O ILE A 48 48.043 22.320 6.372 1.00 0.89 O -ATOM 390 CB ILE A 48 49.530 21.215 8.998 1.00 0.89 C -ATOM 391 CG1 ILE A 48 49.202 20.514 10.317 1.00 0.89 C -ATOM 392 CG2 ILE A 48 49.287 22.706 9.109 1.00 0.89 C -ATOM 393 CD1 ILE A 48 50.081 20.897 11.472 1.00 0.89 C -ATOM 394 N MET A 49 49.799 21.064 5.791 1.00 2.83 N -ATOM 395 CA MET A 49 50.048 21.782 4.544 1.00 2.83 C -ATOM 396 C MET A 49 48.975 21.500 3.491 1.00 2.83 C -ATOM 397 O MET A 49 48.766 22.319 2.593 1.00 2.83 O -ATOM 398 CB MET A 49 51.426 21.407 4.012 1.00 2.83 C -ATOM 399 CG MET A 49 51.777 22.105 2.744 1.00 2.83 C -ATOM 400 SD MET A 49 53.529 22.137 2.566 1.00 2.83 S -ATOM 401 CE MET A 49 53.893 23.393 3.818 1.00 2.83 C -ATOM 402 N LEU A 50 48.315 20.351 3.595 1.00 0.37 N -ATOM 403 CA LEU A 50 47.246 19.952 2.673 1.00 0.37 C -ATOM 404 C LEU A 50 45.904 20.379 3.223 1.00 0.37 C -ATOM 405 O LEU A 50 45.088 20.933 2.507 1.00 0.37 O -ATOM 406 CB LEU A 50 47.220 18.436 2.515 1.00 0.37 C -ATOM 407 CG LEU A 50 47.988 17.804 1.370 1.00 0.37 C -ATOM 408 CD1 LEU A 50 48.027 16.299 1.554 1.00 0.37 C -ATOM 409 CD2 LEU A 50 47.311 18.196 0.064 1.00 0.37 C -ATOM 410 N GLY A 51 45.691 20.102 4.505 1.00 0.03 N -ATOM 411 CA GLY A 51 44.435 20.420 5.156 1.00 0.03 C -ATOM 412 C GLY A 51 44.049 21.871 5.256 1.00 0.03 C -ATOM 413 O GLY A 51 42.870 22.199 5.207 1.00 0.03 O -ATOM 414 N PHE A 52 45.032 22.746 5.412 1.00 1.08 N -ATOM 415 CA PHE A 52 44.713 24.152 5.517 1.00 1.08 C -ATOM 416 C PHE A 52 44.201 24.678 4.186 1.00 1.08 C -ATOM 417 O PHE A 52 43.029 25.083 4.107 1.00 1.08 O -ATOM 418 CB PHE A 52 45.916 24.974 5.976 1.00 1.08 C -ATOM 419 CG PHE A 52 45.694 26.449 5.846 1.00 1.08 C -ATOM 420 CD1 PHE A 52 44.473 27.017 6.255 1.00 1.08 C -ATOM 421 CD2 PHE A 52 46.650 27.264 5.240 1.00 1.08 C -ATOM 422 CE1 PHE A 52 44.200 28.375 6.053 1.00 1.08 C -ATOM 423 CE2 PHE A 52 46.388 28.628 5.031 1.00 1.08 C -ATOM 424 CZ PHE A 52 45.155 29.182 5.438 1.00 1.08 C -ATOM 425 N PRO A 53 45.045 24.669 3.123 1.00 0.03 N -ATOM 426 CA PRO A 53 44.569 25.176 1.829 1.00 0.03 C -ATOM 427 C PRO A 53 43.280 24.546 1.317 1.00 0.03 C -ATOM 428 O PRO A 53 42.361 25.270 0.954 1.00 0.03 O -ATOM 429 CB PRO A 53 45.765 24.937 0.894 1.00 0.03 C -ATOM 430 CG PRO A 53 46.507 23.808 1.528 1.00 0.03 C -ATOM 431 CD PRO A 53 46.424 24.155 3.000 1.00 0.03 C -ATOM 432 N ILE A 54 43.195 23.220 1.313 1.00 0.28 N -ATOM 433 CA ILE A 54 42.011 22.517 0.810 1.00 0.28 C -ATOM 434 C ILE A 54 40.750 22.872 1.563 1.00 0.28 C -ATOM 435 O ILE A 54 39.717 23.037 0.949 1.00 0.28 O -ATOM 436 CB ILE A 54 42.215 20.968 0.850 1.00 0.28 C -ATOM 437 CG1 ILE A 54 43.234 20.555 -0.226 1.00 0.28 C -ATOM 438 CG2 ILE A 54 40.887 20.264 0.639 1.00 0.28 C -ATOM 439 CD1 ILE A 54 43.793 19.149 -0.115 1.00 0.28 C -ATOM 440 N ASN A 55 40.829 22.991 2.881 1.00 0.00 N -ATOM 441 CA ASN A 55 39.651 23.294 3.669 1.00 0.00 C -ATOM 442 C ASN A 55 39.294 24.752 3.612 1.00 0.00 C -ATOM 443 O ASN A 55 38.102 25.083 3.615 1.00 0.00 O -ATOM 444 CB ASN A 55 39.861 22.838 5.108 1.00 0.00 C -ATOM 445 CG ASN A 55 39.597 21.357 5.282 1.00 0.00 C -ATOM 446 OD1 ASN A 55 38.467 20.899 5.108 1.00 0.00 O -ATOM 447 ND2 ASN A 55 40.635 20.597 5.613 1.00 0.00 N -ATOM 448 N PHE A 56 40.295 25.627 3.561 1.00 0.05 N -ATOM 449 CA PHE A 56 40.019 27.058 3.489 1.00 0.05 C -ATOM 450 C PHE A 56 39.431 27.412 2.119 1.00 0.05 C -ATOM 451 O PHE A 56 38.491 28.211 2.036 1.00 0.05 O -ATOM 452 CB PHE A 56 41.286 27.886 3.718 1.00 0.05 C -ATOM 453 CG PHE A 56 41.034 29.359 3.661 1.00 0.05 C -ATOM 454 CD1 PHE A 56 40.389 30.008 4.713 1.00 0.05 C -ATOM 455 CD2 PHE A 56 41.328 30.088 2.507 1.00 0.05 C -ATOM 456 CE1 PHE A 56 40.034 31.362 4.610 1.00 0.05 C -ATOM 457 CE2 PHE A 56 40.972 31.447 2.395 1.00 0.05 C -ATOM 458 CZ PHE A 56 40.327 32.079 3.441 1.00 0.05 C -ATOM 459 N LEU A 57 39.993 26.829 1.062 1.00 0.19 N -ATOM 460 CA LEU A 57 39.537 27.053 -0.310 1.00 0.19 C -ATOM 461 C LEU A 57 38.080 26.645 -0.409 1.00 0.19 C -ATOM 462 O LEU A 57 37.267 27.389 -0.923 1.00 0.19 O -ATOM 463 CB LEU A 57 40.369 26.204 -1.265 1.00 0.19 C -ATOM 464 CG LEU A 57 40.606 26.676 -2.686 1.00 0.19 C -ATOM 465 CD1 LEU A 57 40.678 25.449 -3.565 1.00 0.19 C -ATOM 466 CD2 LEU A 57 39.489 27.589 -3.143 1.00 0.19 C -ATOM 467 N THR A 58 37.766 25.453 0.087 1.00 0.00 N -ATOM 468 CA THR A 58 36.406 24.912 0.098 1.00 0.00 C -ATOM 469 C THR A 58 35.471 25.905 0.742 1.00 0.00 C -ATOM 470 O THR A 58 34.384 26.186 0.245 1.00 0.00 O -ATOM 471 CB THR A 58 36.339 23.643 0.937 1.00 0.00 C -ATOM 472 OG1 THR A 58 37.081 22.602 0.300 1.00 0.00 O -ATOM 473 CG2 THR A 58 34.902 23.217 1.130 1.00 0.00 C -ATOM 474 N LEU A 59 35.908 26.411 1.881 1.00 0.04 N -ATOM 475 CA LEU A 59 35.161 27.379 2.658 1.00 0.04 C -ATOM 476 C LEU A 59 34.949 28.671 1.868 1.00 0.04 C -ATOM 477 O LEU A 59 33.832 29.172 1.789 1.00 0.04 O -ATOM 478 CB LEU A 59 35.945 27.650 3.935 1.00 0.04 C -ATOM 479 CG LEU A 59 35.625 28.919 4.703 1.00 0.04 C -ATOM 480 CD1 LEU A 59 34.196 28.872 5.209 1.00 0.04 C -ATOM 481 CD2 LEU A 59 36.621 29.034 5.848 1.00 0.04 C -ATOM 482 N TYR A 60 36.022 29.192 1.282 1.00 5.80 N -ATOM 483 CA TYR A 60 35.964 30.433 0.521 1.00 5.80 C -ATOM 484 C TYR A 60 35.049 30.292 -0.682 1.00 5.80 C -ATOM 485 O TYR A 60 34.232 31.165 -0.936 1.00 5.80 O -ATOM 486 CB TYR A 60 37.379 30.824 0.086 1.00 5.80 C -ATOM 487 CG TYR A 60 37.521 32.209 -0.511 1.00 5.80 C -ATOM 488 CD1 TYR A 60 37.026 32.502 -1.783 1.00 5.80 C -ATOM 489 CD2 TYR A 60 38.157 33.233 0.198 1.00 5.80 C -ATOM 490 CE1 TYR A 60 37.162 33.793 -2.339 1.00 5.80 C -ATOM 491 CE2 TYR A 60 38.302 34.527 -0.345 1.00 5.80 C -ATOM 492 CZ TYR A 60 37.799 34.802 -1.611 1.00 5.80 C -ATOM 493 OH TYR A 60 37.912 36.077 -2.139 1.00 5.80 O -ATOM 494 N VAL A 61 35.159 29.204 -1.421 1.00 0.32 N -ATOM 495 CA VAL A 61 34.306 29.048 -2.582 1.00 0.32 C -ATOM 496 C VAL A 61 32.830 29.017 -2.179 1.00 0.32 C -ATOM 497 O VAL A 61 32.022 29.742 -2.754 1.00 0.32 O -ATOM 498 CB VAL A 61 34.676 27.773 -3.369 1.00 0.32 C -ATOM 499 CG1 VAL A 61 33.586 27.446 -4.395 1.00 0.32 C -ATOM 500 CG2 VAL A 61 36.018 27.984 -4.073 1.00 0.32 C -ATOM 501 N THR A 62 32.484 28.212 -1.182 1.00 0.00 N -ATOM 502 CA THR A 62 31.093 28.080 -0.754 1.00 0.00 C -ATOM 503 C THR A 62 30.473 29.420 -0.465 1.00 0.00 C -ATOM 504 O THR A 62 29.366 29.709 -0.905 1.00 0.00 O -ATOM 505 CB THR A 62 30.982 27.219 0.516 1.00 0.00 C -ATOM 506 OG1 THR A 62 31.647 25.972 0.299 1.00 0.00 O -ATOM 507 CG2 THR A 62 29.523 26.945 0.855 1.00 0.00 C -ATOM 508 N VAL A 63 31.186 30.248 0.272 1.00 0.31 N -ATOM 509 CA VAL A 63 30.656 31.536 0.650 1.00 0.31 C -ATOM 510 C VAL A 63 30.508 32.461 -0.526 1.00 0.31 C -ATOM 511 O VAL A 63 29.432 33.020 -0.741 1.00 0.31 O -ATOM 512 CB VAL A 63 31.554 32.180 1.694 1.00 0.31 C -ATOM 513 CG1 VAL A 63 31.172 33.621 1.888 1.00 0.31 C -ATOM 514 CG2 VAL A 63 31.428 31.425 2.995 1.00 0.31 C -ATOM 515 N GLN A 64 31.581 32.622 -1.284 1.00 0.64 N -ATOM 516 CA GLN A 64 31.587 33.520 -2.429 1.00 0.64 C -ATOM 517 C GLN A 64 30.488 33.246 -3.438 1.00 0.64 C -ATOM 518 O GLN A 64 29.975 34.196 -4.018 1.00 0.64 O -ATOM 519 CB GLN A 64 32.938 33.447 -3.108 1.00 0.64 C -ATOM 520 CG GLN A 64 32.952 33.957 -4.514 1.00 0.64 C -ATOM 521 CD GLN A 64 34.357 33.970 -5.066 1.00 0.64 C -ATOM 522 OE1 GLN A 64 35.168 34.839 -4.711 1.00 0.64 O -ATOM 523 NE2 GLN A 64 34.671 32.992 -5.922 1.00 0.64 N -ATOM 524 N HIS A 65 30.127 31.987 -3.663 1.00 0.13 N -ATOM 525 CA HIS A 65 29.089 31.684 -4.637 1.00 0.13 C -ATOM 526 C HIS A 65 27.749 31.633 -3.981 1.00 0.13 C -ATOM 527 O HIS A 65 27.326 30.612 -3.466 1.00 0.13 O -ATOM 528 CB HIS A 65 29.435 30.395 -5.351 1.00 0.13 C -ATOM 529 CG HIS A 65 30.654 30.519 -6.198 1.00 0.13 C -ATOM 530 ND1 HIS A 65 30.625 30.396 -7.570 1.00 0.13 N -ATOM 531 CD2 HIS A 65 31.930 30.826 -5.874 1.00 0.13 C -ATOM 532 CE1 HIS A 65 31.833 30.618 -8.054 1.00 0.13 C -ATOM 533 NE2 HIS A 65 32.643 30.882 -7.045 1.00 0.13 N -ATOM 534 N LYS A 66 27.079 32.773 -4.042 1.00 0.00 N -ATOM 535 CA LYS A 66 25.783 32.997 -3.422 1.00 0.00 C -ATOM 536 C LYS A 66 24.726 31.956 -3.707 1.00 0.00 C -ATOM 537 O LYS A 66 23.707 31.954 -3.023 1.00 0.00 O -ATOM 538 CB LYS A 66 25.277 34.394 -3.798 1.00 0.00 C -ATOM 539 CG LYS A 66 25.815 35.500 -2.884 1.00 0.00 C -ATOM 540 CD LYS A 66 27.345 35.509 -2.815 1.00 0.00 C -ATOM 541 CE LYS A 66 27.867 36.339 -1.624 1.00 0.00 C -ATOM 542 NZ LYS A 66 29.376 36.392 -1.524 1.00 0.00 N -ATOM 543 N LYS A 67 24.933 31.065 -4.663 1.00 1.32 N -ATOM 544 CA LYS A 67 23.881 30.092 -4.935 1.00 1.32 C -ATOM 545 C LYS A 67 24.197 28.736 -4.347 1.00 1.32 C -ATOM 546 O LYS A 67 23.323 27.886 -4.311 1.00 1.32 O -ATOM 547 CB LYS A 67 23.617 29.973 -6.444 1.00 1.32 C -ATOM 548 CG LYS A 67 23.480 31.325 -7.194 1.00 1.32 C -ATOM 549 CD LYS A 67 22.312 32.210 -6.702 1.00 1.32 C -ATOM 550 CE LYS A 67 20.954 31.525 -6.895 1.00 1.32 C -ATOM 551 NZ LYS A 67 20.772 30.980 -8.287 1.00 1.32 N -ATOM 552 N LEU A 68 25.424 28.517 -3.894 1.00 0.00 N -ATOM 553 CA LEU A 68 25.761 27.234 -3.288 1.00 0.00 C -ATOM 554 C LEU A 68 25.120 27.216 -1.894 1.00 0.00 C -ATOM 555 O LEU A 68 25.815 27.355 -0.886 1.00 0.00 O -ATOM 556 CB LEU A 68 27.285 27.099 -3.198 1.00 0.00 C -ATOM 557 CG LEU A 68 28.065 27.034 -4.514 1.00 0.00 C -ATOM 558 CD1 LEU A 68 29.549 27.218 -4.235 1.00 0.00 C -ATOM 559 CD2 LEU A 68 27.804 25.715 -5.202 1.00 0.00 C -ATOM 560 N ARG A 69 23.800 27.037 -1.840 1.00 0.03 N -ATOM 561 CA ARG A 69 23.087 27.072 -0.561 1.00 0.03 C -ATOM 562 C ARG A 69 22.188 25.868 -0.298 1.00 0.03 C -ATOM 563 O ARG A 69 21.192 26.011 0.419 1.00 0.03 O -ATOM 564 CB ARG A 69 22.255 28.345 -0.497 1.00 0.03 C -ATOM 565 CG ARG A 69 23.087 29.577 -0.650 1.00 0.03 C -ATOM 566 CD ARG A 69 23.937 29.726 0.560 1.00 0.03 C -ATOM 567 NE ARG A 69 24.826 30.874 0.479 1.00 0.03 N -ATOM 568 CZ ARG A 69 26.014 30.867 -0.118 1.00 0.03 C -ATOM 569 NH1 ARG A 69 26.463 29.761 -0.699 1.00 0.03 N -ATOM 570 NH2 ARG A 69 26.768 31.961 -0.110 1.00 0.03 N -ATOM 571 N THR A 70 22.528 24.699 -0.832 1.00 8.86 N -ATOM 572 CA THR A 70 21.717 23.500 -0.609 1.00 8.86 C -ATOM 573 C THR A 70 22.059 22.902 0.737 1.00 8.86 C -ATOM 574 O THR A 70 23.028 23.330 1.369 1.00 8.86 O -ATOM 575 CB THR A 70 21.994 22.429 -1.684 1.00 8.86 C -ATOM 576 OG1 THR A 70 23.349 21.989 -1.600 1.00 8.86 O -ATOM 577 CG2 THR A 70 21.793 23.003 -3.048 1.00 8.86 C -ATOM 578 N PRO A 71 21.272 21.919 1.209 1.00 0.19 N -ATOM 579 CA PRO A 71 21.602 21.327 2.502 1.00 0.19 C -ATOM 580 C PRO A 71 23.014 20.754 2.436 1.00 0.19 C -ATOM 581 O PRO A 71 23.737 20.788 3.426 1.00 0.19 O -ATOM 582 CB PRO A 71 20.535 20.251 2.657 1.00 0.19 C -ATOM 583 CG PRO A 71 19.354 20.888 2.020 1.00 0.19 C -ATOM 584 CD PRO A 71 19.966 21.425 0.739 1.00 0.19 C -ATOM 585 N LEU A 72 23.402 20.254 1.262 1.00 0.00 N -ATOM 586 CA LEU A 72 24.734 19.683 1.060 1.00 0.00 C -ATOM 587 C LEU A 72 25.827 20.753 1.072 1.00 0.00 C -ATOM 588 O LEU A 72 26.909 20.518 1.613 1.00 0.00 O -ATOM 589 CB LEU A 72 24.799 18.931 -0.263 1.00 0.00 C -ATOM 590 CG LEU A 72 26.192 18.367 -0.560 1.00 0.00 C -ATOM 591 CD1 LEU A 72 26.503 17.258 0.421 1.00 0.00 C -ATOM 592 CD2 LEU A 72 26.268 17.832 -1.964 1.00 0.00 C -ATOM 593 N ASN A 73 25.566 21.904 0.462 1.00 0.00 N -ATOM 594 CA ASN A 73 26.550 22.977 0.444 1.00 0.00 C -ATOM 595 C ASN A 73 26.784 23.438 1.867 1.00 0.00 C -ATOM 596 O ASN A 73 27.880 23.910 2.173 1.00 0.00 O -ATOM 597 CB ASN A 73 26.076 24.165 -0.412 1.00 0.00 C -ATOM 598 CG ASN A 73 26.010 23.836 -1.898 1.00 0.00 C -ATOM 599 OD1 ASN A 73 26.941 23.264 -2.463 1.00 0.00 O -ATOM 600 ND2 ASN A 73 24.910 24.214 -2.539 1.00 0.00 N -ATOM 601 N TYR A 74 25.773 23.317 2.727 1.00 0.00 N -ATOM 602 CA TYR A 74 25.919 23.718 4.123 1.00 0.00 C -ATOM 603 C TYR A 74 26.755 22.703 4.866 1.00 0.00 C -ATOM 604 O TYR A 74 27.777 23.065 5.436 1.00 0.00 O -ATOM 605 CB TYR A 74 24.562 23.830 4.804 1.00 0.00 C -ATOM 606 CG TYR A 74 23.913 25.152 4.575 1.00 0.00 C -ATOM 607 CD1 TYR A 74 24.028 26.176 5.508 1.00 0.00 C -ATOM 608 CD2 TYR A 74 23.232 25.411 3.386 1.00 0.00 C -ATOM 609 CE1 TYR A 74 23.481 27.435 5.253 1.00 0.00 C -ATOM 610 CE2 TYR A 74 22.682 26.661 3.122 1.00 0.00 C -ATOM 611 CZ TYR A 74 22.814 27.662 4.055 1.00 0.00 C -ATOM 612 OH TYR A 74 22.297 28.892 3.764 1.00 0.00 O -ATOM 613 N ILE A 75 26.326 21.443 4.854 1.00 0.12 N -ATOM 614 CA ILE A 75 27.014 20.369 5.557 1.00 0.12 C -ATOM 615 C ILE A 75 28.470 20.308 5.201 1.00 0.12 C -ATOM 616 O ILE A 75 29.293 20.035 6.070 1.00 0.12 O -ATOM 617 CB ILE A 75 26.334 19.005 5.277 1.00 0.12 C -ATOM 618 CG1 ILE A 75 25.084 18.887 6.152 1.00 0.12 C -ATOM 619 CG2 ILE A 75 27.307 17.856 5.515 1.00 0.12 C -ATOM 620 CD1 ILE A 75 25.318 19.308 7.620 1.00 0.12 C -ATOM 621 N LEU A 76 28.813 20.560 3.946 1.00 0.01 N -ATOM 622 CA LEU A 76 30.214 20.505 3.589 1.00 0.01 C -ATOM 623 C LEU A 76 30.938 21.758 3.994 1.00 0.01 C -ATOM 624 O LEU A 76 32.143 21.717 4.153 1.00 0.01 O -ATOM 625 CB LEU A 76 30.399 20.177 2.112 1.00 0.01 C -ATOM 626 CG LEU A 76 30.610 18.652 2.095 1.00 0.01 C -ATOM 627 CD1 LEU A 76 29.364 17.952 1.609 1.00 0.01 C -ATOM 628 CD2 LEU A 76 31.798 18.297 1.253 1.00 0.01 C -ATOM 629 N LEU A 77 30.237 22.868 4.172 1.00 0.78 N -ATOM 630 CA LEU A 77 30.916 24.075 4.641 1.00 0.78 C -ATOM 631 C LEU A 77 31.237 23.819 6.100 1.00 0.78 C -ATOM 632 O LEU A 77 32.309 24.161 6.588 1.00 0.78 O -ATOM 633 CB LEU A 77 30.006 25.307 4.521 1.00 0.78 C -ATOM 634 CG LEU A 77 30.605 26.607 5.071 1.00 0.78 C -ATOM 635 CD1 LEU A 77 32.001 26.853 4.527 1.00 0.78 C -ATOM 636 CD2 LEU A 77 29.692 27.736 4.703 1.00 0.78 C -ATOM 637 N ASN A 78 30.280 23.202 6.781 1.00 0.00 N -ATOM 638 CA ASN A 78 30.388 22.834 8.182 1.00 0.00 C -ATOM 639 C ASN A 78 31.632 21.957 8.328 1.00 0.00 C -ATOM 640 O ASN A 78 32.489 22.238 9.157 1.00 0.00 O -ATOM 641 CB ASN A 78 29.095 22.086 8.571 1.00 0.00 C -ATOM 642 CG ASN A 78 29.113 21.514 9.981 1.00 0.00 C -ATOM 643 OD1 ASN A 78 29.474 22.196 10.948 1.00 0.00 O -ATOM 644 ND2 ASN A 78 28.688 20.250 10.103 1.00 0.00 N -ATOM 645 N LEU A 79 31.746 20.925 7.498 1.00 0.00 N -ATOM 646 CA LEU A 79 32.885 20.029 7.558 1.00 0.00 C -ATOM 647 C LEU A 79 34.202 20.756 7.342 1.00 0.00 C -ATOM 648 O LEU A 79 35.183 20.421 8.006 1.00 0.00 O -ATOM 649 CB LEU A 79 32.722 18.928 6.527 1.00 0.00 C -ATOM 650 CG LEU A 79 32.017 17.658 6.999 1.00 0.00 C -ATOM 651 CD1 LEU A 79 31.441 17.820 8.410 1.00 0.00 C -ATOM 652 CD2 LEU A 79 30.956 17.315 5.969 1.00 0.00 C -ATOM 653 N ALA A 80 34.241 21.733 6.437 1.00 0.01 N -ATOM 654 CA ALA A 80 35.476 22.472 6.163 1.00 0.01 C -ATOM 655 C ALA A 80 35.868 23.269 7.392 1.00 0.01 C -ATOM 656 O ALA A 80 37.042 23.387 7.712 1.00 0.01 O -ATOM 657 CB ALA A 80 35.290 23.409 4.946 1.00 0.01 C -ATOM 658 N VAL A 81 34.890 23.811 8.094 1.00 3.81 N -ATOM 659 CA VAL A 81 35.185 24.585 9.287 1.00 3.81 C -ATOM 660 C VAL A 81 35.723 23.669 10.382 1.00 3.81 C -ATOM 661 O VAL A 81 36.739 23.963 11.003 1.00 3.81 O -ATOM 662 CB VAL A 81 33.919 25.300 9.751 1.00 3.81 C -ATOM 663 CG1 VAL A 81 34.185 26.097 11.001 1.00 3.81 C -ATOM 664 CG2 VAL A 81 33.436 26.197 8.641 1.00 3.81 C -ATOM 665 N ALA A 82 35.037 22.556 10.600 1.00 0.10 N -ATOM 666 CA ALA A 82 35.434 21.596 11.604 1.00 0.10 C -ATOM 667 C ALA A 82 36.826 21.046 11.284 1.00 0.10 C -ATOM 668 O ALA A 82 37.581 20.750 12.204 1.00 0.10 O -ATOM 669 CB ALA A 82 34.407 20.471 11.666 1.00 0.10 C -ATOM 670 N ASP A 83 37.169 20.930 9.998 1.00 0.00 N -ATOM 671 CA ASP A 83 38.472 20.407 9.549 1.00 0.00 C -ATOM 672 C ASP A 83 39.557 21.458 9.781 1.00 0.00 C -ATOM 673 O ASP A 83 40.721 21.094 9.991 1.00 0.00 O -ATOM 674 CB ASP A 83 38.462 20.026 8.056 1.00 0.00 C -ATOM 675 CG ASP A 83 37.573 18.838 7.742 1.00 0.00 C -ATOM 676 OD1 ASP A 83 37.126 18.132 8.660 1.00 0.00 O -ATOM 677 OD2 ASP A 83 37.323 18.602 6.550 1.00 0.00 O -ATOM 678 N LEU A 84 39.197 22.740 9.724 1.00 0.00 N -ATOM 679 CA LEU A 84 40.169 23.806 9.967 1.00 0.00 C -ATOM 680 C LEU A 84 40.443 23.885 11.462 1.00 0.00 C -ATOM 681 O LEU A 84 41.531 24.298 11.855 1.00 0.00 O -ATOM 682 CB LEU A 84 39.659 25.154 9.430 1.00 0.00 C -ATOM 683 CG LEU A 84 39.790 25.391 7.912 1.00 0.00 C -ATOM 684 CD1 LEU A 84 38.895 26.542 7.491 1.00 0.00 C -ATOM 685 CD2 LEU A 84 41.233 25.674 7.539 1.00 0.00 C -ATOM 686 N PHE A 85 39.467 23.499 12.288 1.00 0.02 N -ATOM 687 CA PHE A 85 39.668 23.473 13.736 1.00 0.02 C -ATOM 688 C PHE A 85 40.601 22.326 14.051 1.00 0.02 C -ATOM 689 O PHE A 85 41.421 22.412 14.947 1.00 0.02 O -ATOM 690 CB PHE A 85 38.345 23.280 14.469 1.00 0.02 C -ATOM 691 CG PHE A 85 37.628 24.559 14.749 1.00 0.02 C -ATOM 692 CD1 PHE A 85 38.246 25.565 15.488 1.00 0.02 C -ATOM 693 CD2 PHE A 85 36.339 24.769 14.271 1.00 0.02 C -ATOM 694 CE1 PHE A 85 37.582 26.780 15.753 1.00 0.02 C -ATOM 695 CE2 PHE A 85 35.667 25.967 14.522 1.00 0.02 C -ATOM 696 CZ PHE A 85 36.288 26.979 15.266 1.00 0.02 C -ATOM 697 N MET A 86 40.461 21.245 13.306 1.00 4.69 N -ATOM 698 CA MET A 86 41.331 20.103 13.474 1.00 4.69 C -ATOM 699 C MET A 86 42.761 20.534 13.195 1.00 4.69 C -ATOM 700 O MET A 86 43.621 20.361 14.041 1.00 4.69 O -ATOM 701 CB MET A 86 40.935 18.984 12.504 1.00 4.69 C -ATOM 702 CG MET A 86 39.535 18.452 12.733 1.00 4.69 C -ATOM 703 SD MET A 86 39.137 16.991 11.762 1.00 4.69 S -ATOM 704 CE MET A 86 39.972 15.752 12.693 1.00 4.69 C -ATOM 705 N VAL A 87 42.996 21.107 12.017 1.00 0.01 N -ATOM 706 CA VAL A 87 44.326 21.540 11.591 1.00 0.01 C -ATOM 707 C VAL A 87 44.966 22.489 12.573 1.00 0.01 C -ATOM 708 O VAL A 87 46.048 22.226 13.080 1.00 0.01 O -ATOM 709 CB VAL A 87 44.267 22.237 10.220 1.00 0.01 C -ATOM 710 CG1 VAL A 87 45.640 22.673 9.806 1.00 0.01 C -ATOM 711 CG2 VAL A 87 43.674 21.315 9.190 1.00 0.01 C -ATOM 712 N PHE A 88 44.304 23.600 12.845 1.00 0.20 N -ATOM 713 CA PHE A 88 44.868 24.598 13.749 1.00 0.20 C -ATOM 714 C PHE A 88 44.629 24.247 15.203 1.00 0.20 C -ATOM 715 O PHE A 88 45.496 24.502 16.040 1.00 0.20 O -ATOM 716 CB PHE A 88 44.292 25.979 13.425 1.00 0.20 C -ATOM 717 CG PHE A 88 44.708 26.508 12.079 1.00 0.20 C -ATOM 718 CD1 PHE A 88 46.048 26.756 11.801 1.00 0.20 C -ATOM 719 CD2 PHE A 88 43.766 26.706 11.065 1.00 0.20 C -ATOM 720 CE1 PHE A 88 46.450 27.192 10.523 1.00 0.20 C -ATOM 721 CE2 PHE A 88 44.158 27.141 9.787 1.00 0.20 C -ATOM 722 CZ PHE A 88 45.498 27.381 9.515 1.00 0.20 C -ATOM 723 N GLY A 89 43.480 23.654 15.502 1.00 0.47 N -ATOM 724 CA GLY A 89 43.179 23.294 16.874 1.00 0.47 C -ATOM 725 C GLY A 89 44.055 22.222 17.508 1.00 0.47 C -ATOM 726 O GLY A 89 44.655 22.447 18.546 1.00 0.47 O -ATOM 727 N GLY A 90 44.141 21.051 16.896 1.00 71.99 N -ATOM 728 CA GLY A 90 44.943 20.013 17.504 1.00 71.99 C -ATOM 729 C GLY A 90 46.161 19.576 16.740 1.00 71.99 C -ATOM 730 O GLY A 90 47.115 19.165 17.353 1.00 71.99 O -ATOM 731 N PHE A 91 46.133 19.669 15.415 1.00 13.02 N -ATOM 732 CA PHE A 91 47.253 19.227 14.577 1.00 13.02 C -ATOM 733 C PHE A 91 48.484 20.004 14.841 1.00 13.02 C -ATOM 734 O PHE A 91 49.584 19.512 14.631 1.00 13.02 O -ATOM 735 CB PHE A 91 46.893 19.315 13.105 1.00 13.02 C -ATOM 736 CG PHE A 91 45.960 18.236 12.664 1.00 13.02 C -ATOM 737 CD1 PHE A 91 45.235 17.507 13.600 1.00 13.02 C -ATOM 738 CD2 PHE A 91 45.808 17.938 11.314 1.00 13.02 C -ATOM 739 CE1 PHE A 91 44.380 16.501 13.200 1.00 13.02 C -ATOM 740 CE2 PHE A 91 44.952 16.927 10.903 1.00 13.02 C -ATOM 741 CZ PHE A 91 44.236 16.204 11.844 1.00 13.02 C -ATOM 742 N THR A 92 48.312 21.225 15.303 1.00 5.97 N -ATOM 743 CA THR A 92 49.444 22.058 15.624 1.00 5.97 C -ATOM 744 C THR A 92 50.146 21.465 16.853 1.00 5.97 C -ATOM 745 O THR A 92 51.373 21.421 16.935 1.00 5.97 O -ATOM 746 CB THR A 92 48.933 23.469 15.883 1.00 5.97 C -ATOM 747 OG1 THR A 92 47.778 23.401 16.729 1.00 5.97 O -ATOM 748 CG2 THR A 92 48.518 24.120 14.569 1.00 5.97 C -ATOM 749 N THR A 93 49.360 20.981 17.802 1.00 2.15 N -ATOM 750 CA THR A 93 49.926 20.388 18.993 1.00 2.15 C -ATOM 751 C THR A 93 50.468 19.009 18.679 1.00 2.15 C -ATOM 752 O THR A 93 51.507 18.646 19.215 1.00 2.15 O -ATOM 753 CB THR A 93 48.881 20.254 20.117 1.00 2.15 C -ATOM 754 OG1 THR A 93 48.595 21.546 20.658 1.00 2.15 O -ATOM 755 CG2 THR A 93 49.401 19.349 21.233 1.00 2.15 C -ATOM 756 N THR A 94 49.794 18.235 17.832 1.00 5.52 N -ATOM 757 CA THR A 94 50.294 16.897 17.540 1.00 5.52 C -ATOM 758 C THR A 94 51.595 16.932 16.752 1.00 5.52 C -ATOM 759 O THR A 94 52.394 16.019 16.857 1.00 5.52 O -ATOM 760 CB THR A 94 49.245 16.034 16.813 1.00 5.52 C -ATOM 761 OG1 THR A 94 49.913 15.010 16.063 1.00 5.52 O -ATOM 762 CG2 THR A 94 48.389 16.862 15.923 1.00 5.52 C -ATOM 763 N LEU A 95 51.816 17.984 15.982 1.00 0.66 N -ATOM 764 CA LEU A 95 53.072 18.091 15.261 1.00 0.66 C -ATOM 765 C LEU A 95 54.101 18.583 16.238 1.00 0.66 C -ATOM 766 O LEU A 95 55.233 18.137 16.215 1.00 0.66 O -ATOM 767 CB LEU A 95 52.975 19.085 14.110 1.00 0.66 C -ATOM 768 CG LEU A 95 54.327 19.491 13.512 1.00 0.66 C -ATOM 769 CD1 LEU A 95 55.087 18.277 13.016 1.00 0.66 C -ATOM 770 CD2 LEU A 95 54.083 20.446 12.376 1.00 0.66 C -ATOM 771 N TYR A 96 53.704 19.506 17.102 1.00 0.59 N -ATOM 772 CA TYR A 96 54.617 20.049 18.086 1.00 0.59 C -ATOM 773 C TYR A 96 55.055 18.965 19.038 1.00 0.59 C -ATOM 774 O TYR A 96 56.213 18.940 19.449 1.00 0.59 O -ATOM 775 CB TYR A 96 53.940 21.140 18.889 1.00 0.59 C -ATOM 776 CG TYR A 96 54.903 21.858 19.787 1.00 0.59 C -ATOM 777 CD1 TYR A 96 55.786 22.799 19.267 1.00 0.59 C -ATOM 778 CD2 TYR A 96 54.961 21.584 21.151 1.00 0.59 C -ATOM 779 CE1 TYR A 96 56.711 23.461 20.073 1.00 0.59 C -ATOM 780 CE2 TYR A 96 55.885 22.241 21.977 1.00 0.59 C -ATOM 781 CZ TYR A 96 56.763 23.184 21.427 1.00 0.59 C -ATOM 782 OH TYR A 96 57.698 23.847 22.210 1.00 0.59 O -ATOM 783 N THR A 97 54.122 18.092 19.406 1.00 0.29 N -ATOM 784 CA THR A 97 54.373 16.991 20.321 1.00 0.29 C -ATOM 785 C THR A 97 55.240 15.922 19.668 1.00 0.29 C -ATOM 786 O THR A 97 56.152 15.406 20.303 1.00 0.29 O -ATOM 787 CB THR A 97 53.053 16.383 20.741 1.00 0.29 C -ATOM 788 OG1 THR A 97 52.332 17.344 21.522 1.00 0.29 O -ATOM 789 CG2 THR A 97 53.273 15.111 21.521 1.00 0.29 C -ATOM 790 N SER A 98 54.949 15.574 18.417 1.00 0.21 N -ATOM 791 CA SER A 98 55.732 14.573 17.711 1.00 0.21 C -ATOM 792 C SER A 98 57.153 15.036 17.638 1.00 0.21 C -ATOM 793 O SER A 98 58.057 14.224 17.802 1.00 0.21 O -ATOM 794 CB SER A 98 55.207 14.373 16.297 1.00 0.21 C -ATOM 795 OG SER A 98 53.973 13.717 16.329 1.00 0.21 O -ATOM 796 N LEU A 99 57.352 16.338 17.403 1.00 0.38 N -ATOM 797 CA LEU A 99 58.700 16.944 17.275 1.00 0.38 C -ATOM 798 C LEU A 99 59.522 16.848 18.536 1.00 0.38 C -ATOM 799 O LEU A 99 60.732 16.907 18.448 1.00 0.38 O -ATOM 800 CB LEU A 99 58.612 18.422 16.865 1.00 0.38 C -ATOM 801 CG LEU A 99 58.346 18.689 15.382 1.00 0.38 C -ATOM 802 CD1 LEU A 99 58.062 20.146 15.174 1.00 0.38 C -ATOM 803 CD2 LEU A 99 59.532 18.223 14.548 1.00 0.38 C -ATOM 804 N HIS A 100 58.891 16.708 19.693 1.00 2.01 N -ATOM 805 CA HIS A 100 59.630 16.621 20.941 1.00 2.01 C -ATOM 806 C HIS A 100 59.559 15.233 21.537 1.00 2.01 C -ATOM 807 O HIS A 100 60.275 14.955 22.493 1.00 2.01 O -ATOM 808 CB HIS A 100 59.091 17.667 21.910 1.00 2.01 C -ATOM 809 CG HIS A 100 59.284 19.071 21.424 1.00 2.01 C -ATOM 810 ND1 HIS A 100 60.531 19.655 21.300 1.00 2.01 N -ATOM 811 CD2 HIS A 100 58.395 20.005 21.014 1.00 2.01 C -ATOM 812 CE1 HIS A 100 60.401 20.886 20.840 1.00 2.01 C -ATOM 813 NE2 HIS A 100 59.114 21.125 20.659 1.00 2.01 N -ATOM 814 N GLY A 101 58.719 14.365 20.972 1.00 0.04 N -ATOM 815 CA GLY A 101 58.589 13.016 21.489 1.00 0.04 C -ATOM 816 C GLY A 101 57.705 12.924 22.722 1.00 0.04 C -ATOM 817 O GLY A 101 57.713 11.913 23.402 1.00 0.04 O -ATOM 818 N TYR A 102 56.949 13.980 23.019 1.00 0.01 N -ATOM 819 CA TYR A 102 56.048 13.997 24.179 1.00 0.01 C -ATOM 820 C TYR A 102 55.266 15.307 24.238 1.00 0.01 C -ATOM 821 O TYR A 102 55.601 16.273 23.545 1.00 0.01 O -ATOM 822 CB TYR A 102 56.830 13.797 25.500 1.00 0.01 C -ATOM 823 CG TYR A 102 57.514 15.044 26.063 1.00 0.01 C -ATOM 824 CD1 TYR A 102 58.713 15.527 25.524 1.00 0.01 C -ATOM 825 CD2 TYR A 102 56.947 15.742 27.128 1.00 0.01 C -ATOM 826 CE1 TYR A 102 59.329 16.674 26.032 1.00 0.01 C -ATOM 827 CE2 TYR A 102 57.546 16.886 27.645 1.00 0.01 C -ATOM 828 CZ TYR A 102 58.737 17.353 27.095 1.00 0.01 C -ATOM 829 OH TYR A 102 59.308 18.501 27.616 1.00 0.01 O -ATOM 830 N PHE A 103 54.242 15.326 25.087 1.00 0.02 N -ATOM 831 CA PHE A 103 53.371 16.477 25.263 1.00 0.02 C -ATOM 832 C PHE A 103 53.998 17.531 26.149 1.00 0.02 C -ATOM 833 O PHE A 103 53.657 17.627 27.330 1.00 0.02 O -ATOM 834 CB PHE A 103 52.026 16.024 25.842 1.00 0.02 C -ATOM 835 CG PHE A 103 51.060 15.533 24.802 1.00 0.02 C -ATOM 836 CD1 PHE A 103 50.374 16.442 23.993 1.00 0.02 C -ATOM 837 CD2 PHE A 103 50.857 14.173 24.605 1.00 0.02 C -ATOM 838 CE1 PHE A 103 49.503 16.006 23.004 1.00 0.02 C -ATOM 839 CE2 PHE A 103 49.986 13.727 23.615 1.00 0.02 C -ATOM 840 CZ PHE A 103 49.306 14.647 22.811 1.00 0.02 C -ATOM 841 N VAL A 104 54.902 18.327 25.574 1.00 0.26 N -ATOM 842 CA VAL A 104 55.553 19.389 26.327 1.00 0.26 C -ATOM 843 C VAL A 104 54.480 20.264 26.988 1.00 0.26 C -ATOM 844 O VAL A 104 54.658 20.670 28.133 1.00 0.26 O -ATOM 845 CB VAL A 104 56.470 20.304 25.432 1.00 0.26 C -ATOM 846 CG1 VAL A 104 57.146 19.494 24.361 1.00 0.26 C -ATOM 847 CG2 VAL A 104 55.665 21.437 24.836 1.00 0.26 C -ATOM 848 N PHE A 105 53.376 20.545 26.305 1.00 0.02 N -ATOM 849 CA PHE A 105 52.344 21.374 26.921 1.00 0.02 C -ATOM 850 C PHE A 105 51.540 20.607 27.942 1.00 0.02 C -ATOM 851 O PHE A 105 50.456 21.071 28.353 1.00 0.02 O -ATOM 852 CB PHE A 105 51.406 21.926 25.864 1.00 0.02 C -ATOM 853 CG PHE A 105 52.092 22.773 24.862 1.00 0.02 C -ATOM 854 CD1 PHE A 105 52.948 23.801 25.278 1.00 0.02 C -ATOM 855 CD2 PHE A 105 51.902 22.548 23.499 1.00 0.02 C -ATOM 856 CE1 PHE A 105 53.617 24.598 24.357 1.00 0.02 C -ATOM 857 CE2 PHE A 105 52.563 23.338 22.560 1.00 0.02 C -ATOM 858 CZ PHE A 105 53.428 24.371 22.992 1.00 0.02 C -ATOM 859 N GLY A 106 52.032 19.446 28.352 1.00 0.00 N -ATOM 860 CA GLY A 106 51.300 18.677 29.336 1.00 0.00 C -ATOM 861 C GLY A 106 49.846 18.389 28.984 1.00 0.00 C -ATOM 862 O GLY A 106 49.443 18.460 27.829 1.00 0.00 O -ATOM 863 N PRO A 107 49.031 18.045 29.982 1.00 1.01 N -ATOM 864 CA PRO A 107 47.624 17.746 29.726 1.00 1.01 C -ATOM 865 C PRO A 107 46.874 18.753 28.901 1.00 1.01 C -ATOM 866 O PRO A 107 45.934 18.369 28.208 1.00 1.01 O -ATOM 867 CB PRO A 107 47.040 17.563 31.135 1.00 1.01 C -ATOM 868 CG PRO A 107 48.051 18.183 32.042 1.00 1.01 C -ATOM 869 CD PRO A 107 49.349 17.841 31.401 1.00 1.01 C -ATOM 870 N THR A 108 47.268 20.020 28.942 1.00 1.60 N -ATOM 871 CA THR A 108 46.554 21.010 28.143 1.00 1.60 C -ATOM 872 C THR A 108 46.731 20.679 26.672 1.00 1.60 C -ATOM 873 O THR A 108 45.743 20.634 25.929 1.00 1.60 O -ATOM 874 CB THR A 108 47.053 22.434 28.418 1.00 1.60 C -ATOM 875 OG1 THR A 108 46.988 22.695 29.824 1.00 1.60 O -ATOM 876 CG2 THR A 108 46.168 23.443 27.709 1.00 1.60 C -ATOM 877 N GLY A 109 47.972 20.435 26.255 1.00 0.54 N -ATOM 878 CA GLY A 109 48.221 20.085 24.871 1.00 0.54 C -ATOM 879 C GLY A 109 47.509 18.805 24.476 1.00 0.54 C -ATOM 880 O GLY A 109 47.106 18.649 23.342 1.00 0.54 O -ATOM 881 N CYS A 110 47.342 17.902 25.436 1.00 0.00 N -ATOM 882 CA CYS A 110 46.710 16.607 25.237 1.00 0.00 C -ATOM 883 C CYS A 110 45.250 16.801 25.048 1.00 0.00 C -ATOM 884 O CYS A 110 44.613 16.051 24.304 1.00 0.00 O -ATOM 885 CB CYS A 110 46.947 15.741 26.454 1.00 0.00 C -ATOM 886 SG CYS A 110 46.245 14.064 26.418 1.00 0.00 S -ATOM 887 N ASN A 111 44.706 17.802 25.730 1.00 0.05 N -ATOM 888 CA ASN A 111 43.285 18.090 25.621 1.00 0.05 C -ATOM 889 C ASN A 111 42.993 18.725 24.281 1.00 0.05 C -ATOM 890 O ASN A 111 41.990 18.393 23.666 1.00 0.05 O -ATOM 891 CB ASN A 111 42.832 19.007 26.756 1.00 0.05 C -ATOM 892 CG ASN A 111 42.793 18.299 28.096 1.00 0.05 C -ATOM 893 OD1 ASN A 111 42.142 17.268 28.263 1.00 0.05 O -ATOM 894 ND2 ASN A 111 43.488 18.859 29.058 1.00 0.05 N -ATOM 895 N LEU A 112 43.860 19.625 23.823 1.00 1.54 N -ATOM 896 CA LEU A 112 43.666 20.273 22.525 1.00 1.54 C -ATOM 897 C LEU A 112 43.704 19.217 21.470 1.00 1.54 C -ATOM 898 O LEU A 112 42.803 19.126 20.645 1.00 1.54 O -ATOM 899 CB LEU A 112 44.782 21.287 22.260 1.00 1.54 C -ATOM 900 CG LEU A 112 44.800 22.515 23.176 1.00 1.54 C -ATOM 901 CD1 LEU A 112 46.073 23.298 22.920 1.00 1.54 C -ATOM 902 CD2 LEU A 112 43.538 23.372 22.953 1.00 1.54 C -ATOM 903 N GLU A 113 44.770 18.424 21.521 1.00 0.65 N -ATOM 904 CA GLU A 113 45.010 17.316 20.608 1.00 0.65 C -ATOM 905 C GLU A 113 43.772 16.389 20.579 1.00 0.65 C -ATOM 906 O GLU A 113 43.213 16.160 19.505 1.00 0.65 O -ATOM 907 CB GLU A 113 46.260 16.552 21.076 1.00 0.65 C -ATOM 908 CG GLU A 113 47.174 16.079 19.972 1.00 0.65 C -ATOM 909 CD GLU A 113 46.474 15.165 19.002 1.00 0.65 C -ATOM 910 OE1 GLU A 113 45.823 14.211 19.480 1.00 0.65 O -ATOM 911 OE2 GLU A 113 46.574 15.394 17.771 1.00 0.65 O -ATOM 912 N GLY A 114 43.335 15.890 21.739 1.00 1.33 N -ATOM 913 CA GLY A 114 42.184 15.004 21.789 1.00 1.33 C -ATOM 914 C GLY A 114 40.857 15.626 21.392 1.00 1.33 C -ATOM 915 O GLY A 114 40.156 15.093 20.544 1.00 1.33 O -ATOM 916 N PHE A 115 40.525 16.764 21.996 1.00 0.30 N -ATOM 917 CA PHE A 115 39.258 17.466 21.746 1.00 0.30 C -ATOM 918 C PHE A 115 39.011 17.775 20.281 1.00 0.30 C -ATOM 919 O PHE A 115 37.971 17.416 19.743 1.00 0.30 O -ATOM 920 CB PHE A 115 39.188 18.784 22.546 1.00 0.30 C -ATOM 921 CG PHE A 115 37.928 19.574 22.305 1.00 0.30 C -ATOM 922 CD1 PHE A 115 36.707 19.137 22.816 1.00 0.30 C -ATOM 923 CD2 PHE A 115 37.950 20.726 21.523 1.00 0.30 C -ATOM 924 CE1 PHE A 115 35.521 19.832 22.551 1.00 0.30 C -ATOM 925 CE2 PHE A 115 36.768 21.431 21.248 1.00 0.30 C -ATOM 926 CZ PHE A 115 35.553 20.978 21.765 1.00 0.30 C -ATOM 927 N PHE A 116 39.945 18.432 19.625 1.00 8.79 N -ATOM 928 CA PHE A 116 39.698 18.795 18.247 1.00 8.79 C -ATOM 929 C PHE A 116 39.623 17.645 17.300 1.00 8.79 C -ATOM 930 O PHE A 116 38.901 17.749 16.318 1.00 8.79 O -ATOM 931 CB PHE A 116 40.714 19.825 17.796 1.00 8.79 C -ATOM 932 CG PHE A 116 40.407 21.179 18.311 1.00 8.79 C -ATOM 933 CD1 PHE A 116 39.189 21.785 17.992 1.00 8.79 C -ATOM 934 CD2 PHE A 116 41.287 21.828 19.171 1.00 8.79 C -ATOM 935 CE1 PHE A 116 38.850 23.025 18.529 1.00 8.79 C -ATOM 936 CE2 PHE A 116 40.955 23.067 19.711 1.00 8.79 C -ATOM 937 CZ PHE A 116 39.734 23.668 19.392 1.00 8.79 C -ATOM 938 N ALA A 117 40.340 16.560 17.555 1.00 0.75 N -ATOM 939 CA ALA A 117 40.268 15.418 16.653 1.00 0.75 C -ATOM 940 C ALA A 117 38.926 14.719 16.852 1.00 0.75 C -ATOM 941 O ALA A 117 38.318 14.207 15.906 1.00 0.75 O -ATOM 942 CB ALA A 117 41.385 14.475 16.941 1.00 0.75 C -ATOM 943 N THR A 118 38.467 14.714 18.098 1.00 3.01 N -ATOM 944 CA THR A 118 37.192 14.105 18.457 1.00 3.01 C -ATOM 945 C THR A 118 36.070 14.962 17.890 1.00 3.01 C -ATOM 946 O THR A 118 35.169 14.443 17.193 1.00 3.01 O -ATOM 947 CB THR A 118 37.059 14.017 19.990 1.00 3.01 C -ATOM 948 OG1 THR A 118 38.126 13.214 20.508 1.00 3.01 O -ATOM 949 CG2 THR A 118 35.741 13.391 20.385 1.00 3.01 C -ATOM 950 N LEU A 119 36.125 16.260 18.183 1.00 0.85 N -ATOM 951 CA LEU A 119 35.141 17.216 17.691 1.00 0.85 C -ATOM 952 C LEU A 119 35.006 17.043 16.174 1.00 0.85 C -ATOM 953 O LEU A 119 33.899 16.961 15.643 1.00 0.85 O -ATOM 954 CB LEU A 119 35.613 18.639 18.016 1.00 0.85 C -ATOM 955 CG LEU A 119 34.595 19.613 18.594 1.00 0.85 C -ATOM 956 CD1 LEU A 119 35.031 21.034 18.280 1.00 0.85 C -ATOM 957 CD2 LEU A 119 33.234 19.327 17.985 1.00 0.85 C -ATOM 958 N GLY A 120 36.149 16.965 15.499 1.00 0.44 N -ATOM 959 CA GLY A 120 36.167 16.817 14.053 1.00 0.44 C -ATOM 960 C GLY A 120 35.584 15.526 13.515 1.00 0.44 C -ATOM 961 O GLY A 120 34.774 15.540 12.590 1.00 0.44 O -ATOM 962 N GLY A 121 36.000 14.401 14.074 1.00 0.00 N -ATOM 963 CA GLY A 121 35.471 13.138 13.606 1.00 0.00 C -ATOM 964 C GLY A 121 33.979 13.019 13.880 1.00 0.00 C -ATOM 965 O GLY A 121 33.221 12.536 13.017 1.00 0.00 O -ATOM 966 N GLU A 122 33.560 13.469 15.072 1.00 4.56 N -ATOM 967 CA GLU A 122 32.159 13.396 15.494 1.00 4.56 C -ATOM 968 C GLU A 122 31.259 14.366 14.732 1.00 4.56 C -ATOM 969 O GLU A 122 30.062 14.091 14.566 1.00 4.56 O -ATOM 970 CB GLU A 122 32.039 13.619 17.007 1.00 4.56 C -ATOM 971 CG GLU A 122 32.225 12.355 17.839 1.00 4.56 C -ATOM 972 CD GLU A 122 31.240 11.244 17.481 1.00 4.56 C -ATOM 973 OE1 GLU A 122 30.049 11.544 17.254 1.00 4.56 O -ATOM 974 OE2 GLU A 122 31.649 10.062 17.443 1.00 4.56 O -ATOM 975 N ILE A 123 31.784 15.502 14.272 1.00 0.11 N -ATOM 976 CA ILE A 123 30.955 16.425 13.494 1.00 0.11 C -ATOM 977 C ILE A 123 30.746 15.817 12.111 1.00 0.11 C -ATOM 978 O ILE A 123 29.715 16.048 11.460 1.00 0.11 O -ATOM 979 CB ILE A 123 31.607 17.816 13.370 1.00 0.11 C -ATOM 980 CG1 ILE A 123 31.367 18.607 14.655 1.00 0.11 C -ATOM 981 CG2 ILE A 123 31.021 18.569 12.173 1.00 0.11 C -ATOM 982 CD1 ILE A 123 32.145 19.891 14.721 1.00 0.11 C -ATOM 983 N ALA A 124 31.730 15.039 11.666 1.00 0.27 N -ATOM 984 CA ALA A 124 31.636 14.352 10.391 1.00 0.27 C -ATOM 985 C ALA A 124 30.582 13.267 10.528 1.00 0.27 C -ATOM 986 O ALA A 124 29.701 13.171 9.693 1.00 0.27 O -ATOM 987 CB ALA A 124 32.968 13.739 10.031 1.00 0.27 C -ATOM 988 N LEU A 125 30.665 12.463 11.589 1.00 0.94 N -ATOM 989 CA LEU A 125 29.704 11.375 11.834 1.00 0.94 C -ATOM 990 C LEU A 125 28.282 11.895 11.884 1.00 0.94 C -ATOM 991 O LEU A 125 27.410 11.354 11.224 1.00 0.94 O -ATOM 992 CB LEU A 125 30.019 10.654 13.155 1.00 0.94 C -ATOM 993 CG LEU A 125 29.030 9.604 13.678 1.00 0.94 C -ATOM 994 CD1 LEU A 125 28.914 8.466 12.670 1.00 0.94 C -ATOM 995 CD2 LEU A 125 29.477 9.092 15.057 1.00 0.94 C -ATOM 996 N TRP A 126 28.041 12.940 12.660 1.00 0.37 N -ATOM 997 CA TRP A 126 26.703 13.453 12.753 1.00 0.37 C -ATOM 998 C TRP A 126 26.290 14.130 11.481 1.00 0.37 C -ATOM 999 O TRP A 126 25.110 14.088 11.143 1.00 0.37 O -ATOM 1000 CB TRP A 126 26.592 14.387 13.941 1.00 0.37 C -ATOM 1001 CG TRP A 126 26.599 13.630 15.210 1.00 0.37 C -ATOM 1002 CD1 TRP A 126 27.573 13.622 16.159 1.00 0.37 C -ATOM 1003 CD2 TRP A 126 25.596 12.721 15.658 1.00 0.37 C -ATOM 1004 NE1 TRP A 126 27.244 12.762 17.176 1.00 0.37 N -ATOM 1005 CE2 TRP A 126 26.032 12.194 16.892 1.00 0.37 C -ATOM 1006 CE3 TRP A 126 24.370 12.297 15.135 1.00 0.37 C -ATOM 1007 CZ2 TRP A 126 25.285 11.263 17.613 1.00 0.37 C -ATOM 1008 CZ3 TRP A 126 23.628 11.375 15.850 1.00 0.37 C -ATOM 1009 CH2 TRP A 126 24.089 10.867 17.078 1.00 0.37 C -ATOM 1010 N SER A 127 27.223 14.749 10.767 1.00 0.00 N -ATOM 1011 CA SER A 127 26.855 15.402 9.517 1.00 0.00 C -ATOM 1012 C SER A 127 26.419 14.344 8.515 1.00 0.00 C -ATOM 1013 O SER A 127 25.696 14.666 7.577 1.00 0.00 O -ATOM 1014 CB SER A 127 28.020 16.218 8.954 1.00 0.00 C -ATOM 1015 OG SER A 127 28.178 17.438 9.655 1.00 0.00 O -ATOM 1016 N LEU A 128 26.842 13.095 8.717 1.00 0.00 N -ATOM 1017 CA LEU A 128 26.466 11.988 7.825 1.00 0.00 C -ATOM 1018 C LEU A 128 25.049 11.524 8.102 1.00 0.00 C -ATOM 1019 O LEU A 128 24.365 11.079 7.187 1.00 0.00 O -ATOM 1020 CB LEU A 128 27.412 10.803 7.991 1.00 0.00 C -ATOM 1021 CG LEU A 128 28.738 10.996 7.270 1.00 0.00 C -ATOM 1022 CD1 LEU A 128 29.651 9.812 7.537 1.00 0.00 C -ATOM 1023 CD2 LEU A 128 28.465 11.159 5.775 1.00 0.00 C -ATOM 1024 N VAL A 129 24.618 11.600 9.359 1.00 6.38 N -ATOM 1025 CA VAL A 129 23.264 11.197 9.709 1.00 6.38 C -ATOM 1026 C VAL A 129 22.305 12.220 9.100 1.00 6.38 C -ATOM 1027 O VAL A 129 21.247 11.831 8.564 1.00 6.38 O -ATOM 1028 CB VAL A 129 23.074 11.126 11.249 1.00 6.38 C -ATOM 1029 CG1 VAL A 129 21.662 10.683 11.568 1.00 6.38 C -ATOM 1030 CG2 VAL A 129 24.064 10.153 11.860 1.00 6.38 C -ATOM 1031 N VAL A 130 22.679 13.504 9.166 1.00 1.63 N -ATOM 1032 CA VAL A 130 21.869 14.585 8.602 1.00 1.63 C -ATOM 1033 C VAL A 130 21.708 14.342 7.099 1.00 1.63 C -ATOM 1034 O VAL A 130 20.589 14.379 6.573 1.00 1.63 O -ATOM 1035 CB VAL A 130 22.531 15.967 8.850 1.00 1.63 C -ATOM 1036 CG1 VAL A 130 21.680 17.080 8.282 1.00 1.63 C -ATOM 1037 CG2 VAL A 130 22.725 16.172 10.335 1.00 1.63 C -ATOM 1038 N LEU A 131 22.815 14.076 6.413 1.00 0.00 N -ATOM 1039 CA LEU A 131 22.770 13.806 4.983 1.00 0.00 C -ATOM 1040 C LEU A 131 21.883 12.582 4.723 1.00 0.00 C -ATOM 1041 O LEU A 131 21.042 12.617 3.826 1.00 0.00 O -ATOM 1042 CB LEU A 131 24.200 13.588 4.455 1.00 0.00 C -ATOM 1043 CG LEU A 131 25.024 14.818 4.033 1.00 0.00 C -ATOM 1044 CD1 LEU A 131 24.694 16.021 4.877 1.00 0.00 C -ATOM 1045 CD2 LEU A 131 26.496 14.493 4.142 1.00 0.00 C -ATOM 1046 N ALA A 132 22.059 11.518 5.505 1.00 0.00 N -ATOM 1047 CA ALA A 132 21.253 10.309 5.345 1.00 0.00 C -ATOM 1048 C ALA A 132 19.795 10.701 5.339 1.00 0.00 C -ATOM 1049 O ALA A 132 19.041 10.240 4.499 1.00 0.00 O -ATOM 1050 CB ALA A 132 21.530 9.334 6.487 1.00 0.00 C -ATOM 1051 N ILE A 133 19.405 11.555 6.274 1.00 0.02 N -ATOM 1052 CA ILE A 133 18.033 12.012 6.355 1.00 0.02 C -ATOM 1053 C ILE A 133 17.693 12.818 5.133 1.00 0.02 C -ATOM 1054 O ILE A 133 16.884 12.388 4.324 1.00 0.02 O -ATOM 1055 CB ILE A 133 17.824 12.883 7.585 1.00 0.02 C -ATOM 1056 CG1 ILE A 133 18.160 12.072 8.835 1.00 0.02 C -ATOM 1057 CG2 ILE A 133 16.412 13.426 7.609 1.00 0.02 C -ATOM 1058 CD1 ILE A 133 17.660 10.630 8.792 1.00 0.02 C -ATOM 1059 N GLU A 134 18.304 13.987 4.999 1.00 0.00 N -ATOM 1060 CA GLU A 134 18.049 14.837 3.853 1.00 0.00 C -ATOM 1061 C GLU A 134 18.027 13.981 2.618 1.00 0.00 C -ATOM 1062 O GLU A 134 17.140 14.106 1.787 1.00 0.00 O -ATOM 1063 CB GLU A 134 19.144 15.895 3.730 1.00 0.00 C -ATOM 1064 CG GLU A 134 18.834 16.994 2.714 1.00 0.00 C -ATOM 1065 CD GLU A 134 19.454 16.766 1.331 1.00 0.00 C -ATOM 1066 OE1 GLU A 134 19.438 15.613 0.837 1.00 0.00 O -ATOM 1067 OE2 GLU A 134 19.943 17.762 0.736 1.00 0.00 O -ATOM 1068 N ARG A 135 18.999 13.092 2.504 1.00 0.00 N -ATOM 1069 CA ARG A 135 19.080 12.224 1.347 1.00 0.00 C -ATOM 1070 C ARG A 135 17.793 11.452 1.208 1.00 0.00 C -ATOM 1071 O ARG A 135 17.230 11.334 0.125 1.00 0.00 O -ATOM 1072 CB ARG A 135 20.240 11.255 1.501 1.00 0.00 C -ATOM 1073 CG ARG A 135 20.580 10.566 0.220 1.00 0.00 C -ATOM 1074 CD ARG A 135 21.352 11.498 -0.715 1.00 0.00 C -ATOM 1075 NE ARG A 135 20.828 12.865 -0.770 1.00 0.00 N -ATOM 1076 CZ ARG A 135 20.351 13.447 -1.869 1.00 0.00 C -ATOM 1077 NH1 ARG A 135 20.314 12.786 -3.023 1.00 0.00 N -ATOM 1078 NH2 ARG A 135 19.929 14.701 -1.819 1.00 0.00 N -ATOM 1079 N TYR A 136 17.327 10.926 2.326 1.00 0.00 N -ATOM 1080 CA TYR A 136 16.115 10.147 2.359 1.00 0.00 C -ATOM 1081 C TYR A 136 14.938 11.005 1.993 1.00 0.00 C -ATOM 1082 O TYR A 136 14.220 10.699 1.059 1.00 0.00 O -ATOM 1083 CB TYR A 136 15.909 9.599 3.752 1.00 0.00 C -ATOM 1084 CG TYR A 136 14.685 8.763 3.837 1.00 0.00 C -ATOM 1085 CD1 TYR A 136 14.676 7.473 3.309 1.00 0.00 C -ATOM 1086 CD2 TYR A 136 13.512 9.268 4.393 1.00 0.00 C -ATOM 1087 CE1 TYR A 136 13.532 6.702 3.327 1.00 0.00 C -ATOM 1088 CE2 TYR A 136 12.357 8.512 4.415 1.00 0.00 C -ATOM 1089 CZ TYR A 136 12.377 7.225 3.878 1.00 0.00 C -ATOM 1090 OH TYR A 136 11.250 6.447 3.875 1.00 0.00 O -ATOM 1091 N VAL A 137 14.740 12.083 2.737 1.00 1.34 N -ATOM 1092 CA VAL A 137 13.622 12.979 2.503 1.00 1.34 C -ATOM 1093 C VAL A 137 13.493 13.369 1.049 1.00 1.34 C -ATOM 1094 O VAL A 137 12.384 13.562 0.586 1.00 1.34 O -ATOM 1095 CB VAL A 137 13.742 14.250 3.363 1.00 1.34 C -ATOM 1096 CG1 VAL A 137 12.711 15.271 2.956 1.00 1.34 C -ATOM 1097 CG2 VAL A 137 13.538 13.896 4.799 1.00 1.34 C -ATOM 1098 N VAL A 138 14.588 13.490 0.312 1.00 0.00 N -ATOM 1099 CA VAL A 138 14.447 13.889 -1.083 1.00 0.00 C -ATOM 1100 C VAL A 138 14.168 12.695 -1.956 1.00 0.00 C -ATOM 1101 O VAL A 138 13.284 12.769 -2.800 1.00 0.00 O -ATOM 1102 CB VAL A 138 15.698 14.610 -1.604 1.00 0.00 C -ATOM 1103 CG1 VAL A 138 15.964 15.854 -0.772 1.00 0.00 C -ATOM 1104 CG2 VAL A 138 16.888 13.673 -1.561 1.00 0.00 C -ATOM 1105 N VAL A 139 14.898 11.600 -1.757 1.00 0.00 N -ATOM 1106 CA VAL A 139 14.707 10.400 -2.568 1.00 0.00 C -ATOM 1107 C VAL A 139 13.369 9.757 -2.271 1.00 0.00 C -ATOM 1108 O VAL A 139 12.459 9.863 -3.085 1.00 0.00 O -ATOM 1109 CB VAL A 139 15.839 9.378 -2.339 1.00 0.00 C -ATOM 1110 CG1 VAL A 139 15.461 8.036 -2.925 1.00 0.00 C -ATOM 1111 CG2 VAL A 139 17.112 9.882 -2.990 1.00 0.00 C -ATOM 1112 N CYS A 140 13.233 9.102 -1.123 1.00 0.19 N -ATOM 1113 CA CYS A 140 11.970 8.459 -0.776 1.00 0.19 C -ATOM 1114 C CYS A 140 10.884 9.504 -0.448 1.00 0.19 C -ATOM 1115 O CYS A 140 9.773 9.141 -0.060 1.00 0.19 O -ATOM 1116 CB CYS A 140 12.198 7.492 0.391 1.00 0.19 C -ATOM 1117 SG CYS A 140 13.338 6.132 -0.026 1.00 0.19 S -ATOM 1118 N LYS A 141 11.217 10.783 -0.639 1.00 0.05 N -ATOM 1119 CA LYS A 141 10.338 11.948 -0.408 1.00 0.05 C -ATOM 1120 C LYS A 141 9.090 11.656 0.453 1.00 0.05 C -ATOM 1121 O LYS A 141 8.046 11.291 -0.096 1.00 0.05 O -ATOM 1122 CB LYS A 141 9.917 12.551 -1.760 1.00 0.05 C -ATOM 1123 CG LYS A 141 9.454 13.998 -1.680 1.00 0.05 C -ATOM 1124 CD LYS A 141 9.399 14.627 -3.055 1.00 0.05 C -ATOM 1125 CE LYS A 141 9.160 16.122 -2.961 1.00 0.05 C -ATOM 1126 NZ LYS A 141 9.227 16.777 -4.300 1.00 0.05 N -ATOM 1127 N PRO A 142 9.183 11.838 1.798 1.00 0.00 N -ATOM 1128 CA PRO A 142 8.106 11.619 2.785 1.00 0.00 C -ATOM 1129 C PRO A 142 6.910 12.563 2.672 1.00 0.00 C -ATOM 1130 O PRO A 142 5.779 12.140 2.923 1.00 0.00 O -ATOM 1131 CB PRO A 142 8.826 11.778 4.127 1.00 0.00 C -ATOM 1132 CG PRO A 142 10.216 11.326 3.823 1.00 0.00 C -ATOM 1133 CD PRO A 142 10.473 12.010 2.495 1.00 0.00 C -ATOM 1134 N MET A 143 7.156 13.827 2.331 1.00 0.22 N -ATOM 1135 CA MET A 143 6.079 14.805 2.170 1.00 0.22 C -ATOM 1136 C MET A 143 5.697 14.887 0.718 1.00 0.22 C -ATOM 1137 O MET A 143 6.450 14.442 -0.150 1.00 0.22 O -ATOM 1138 CB MET A 143 6.510 16.196 2.636 1.00 0.22 C -ATOM 1139 CG MET A 143 6.479 16.399 4.132 1.00 0.22 C -ATOM 1140 SD MET A 143 7.517 15.222 4.983 1.00 0.22 S -ATOM 1141 CE MET A 143 6.259 14.100 5.656 1.00 0.22 C -ATOM 1142 N SER A 144 4.534 15.462 0.447 1.00 0.00 N -ATOM 1143 CA SER A 144 4.069 15.587 -0.922 1.00 0.00 C -ATOM 1144 C SER A 144 4.270 17.008 -1.397 1.00 0.00 C -ATOM 1145 O SER A 144 3.679 17.408 -2.405 1.00 0.00 O -ATOM 1146 CB SER A 144 2.591 15.190 -1.013 1.00 0.00 C -ATOM 1147 OG SER A 144 2.413 13.816 -0.689 1.00 0.00 O -ATOM 1148 N ASN A 145 5.112 17.761 -0.693 1.00 0.12 N -ATOM 1149 CA ASN A 145 5.369 19.151 -1.060 1.00 0.12 C -ATOM 1150 C ASN A 145 6.400 19.775 -0.136 1.00 0.12 C -ATOM 1151 O ASN A 145 6.288 20.967 0.175 1.00 0.12 O -ATOM 1152 CB ASN A 145 4.062 19.954 -0.981 1.00 0.12 C -ATOM 1153 CG ASN A 145 3.403 19.856 0.390 1.00 0.12 C -ATOM 1154 OD1 ASN A 145 3.073 18.758 0.861 1.00 0.12 O -ATOM 1155 ND2 ASN A 145 3.213 21.003 1.040 1.00 0.12 N -ATOM 1156 N PHE A 146 7.404 19.004 0.288 1.00 0.01 N -ATOM 1157 CA PHE A 146 8.420 19.536 1.197 1.00 0.01 C -ATOM 1158 C PHE A 146 9.783 19.747 0.532 1.00 0.01 C -ATOM 1159 O PHE A 146 10.156 19.021 -0.401 1.00 0.01 O -ATOM 1160 CB PHE A 146 8.599 18.618 2.404 1.00 0.01 C -ATOM 1161 CG PHE A 146 9.640 19.102 3.374 1.00 0.01 C -ATOM 1162 CD1 PHE A 146 9.388 20.199 4.197 1.00 0.01 C -ATOM 1163 CD2 PHE A 146 10.892 18.488 3.437 1.00 0.01 C -ATOM 1164 CE1 PHE A 146 10.369 20.676 5.069 1.00 0.01 C -ATOM 1165 CE2 PHE A 146 11.879 18.958 4.302 1.00 0.01 C -ATOM 1166 CZ PHE A 146 11.616 20.053 5.120 1.00 0.01 C -ATOM 1167 N ARG A 147 10.523 20.733 1.054 1.00 0.25 N -ATOM 1168 CA ARG A 147 11.858 21.103 0.570 1.00 0.25 C -ATOM 1169 C ARG A 147 12.668 21.744 1.705 1.00 0.25 C -ATOM 1170 O ARG A 147 12.159 22.633 2.415 1.00 0.25 O -ATOM 1171 CB ARG A 147 11.741 22.102 -0.585 1.00 0.25 C -ATOM 1172 CG ARG A 147 13.067 22.497 -1.224 1.00 0.25 C -ATOM 1173 CD ARG A 147 12.894 23.730 -2.112 1.00 0.25 C -ATOM 1174 NE ARG A 147 12.633 24.944 -1.335 1.00 0.25 N -ATOM 1175 CZ ARG A 147 12.365 26.144 -1.858 1.00 0.25 C -ATOM 1176 NH1 ARG A 147 12.314 26.312 -3.177 1.00 0.25 N -ATOM 1177 NH2 ARG A 147 12.157 27.188 -1.059 1.00 0.25 N -ATOM 1178 N PHE A 148 13.918 21.305 1.859 1.00 0.00 N -ATOM 1179 CA PHE A 148 14.805 21.820 2.896 1.00 0.00 C -ATOM 1180 C PHE A 148 15.227 23.241 2.602 1.00 0.00 C -ATOM 1181 O PHE A 148 15.880 23.485 1.595 1.00 0.00 O -ATOM 1182 CB PHE A 148 16.050 20.945 3.000 1.00 0.00 C -ATOM 1183 CG PHE A 148 15.789 19.603 3.589 1.00 0.00 C -ATOM 1184 CD1 PHE A 148 15.522 19.472 4.941 1.00 0.00 C -ATOM 1185 CD2 PHE A 148 15.786 18.468 2.793 1.00 0.00 C -ATOM 1186 CE1 PHE A 148 15.252 18.229 5.491 1.00 0.00 C -ATOM 1187 CE2 PHE A 148 15.517 17.218 3.338 1.00 0.00 C -ATOM 1188 CZ PHE A 148 15.249 17.100 4.686 1.00 0.00 C -ATOM 1189 N GLY A 149 14.850 24.177 3.466 1.00 0.22 N -ATOM 1190 CA GLY A 149 15.264 25.550 3.266 1.00 0.22 C -ATOM 1191 C GLY A 149 16.660 25.675 3.851 1.00 0.22 C -ATOM 1192 O GLY A 149 17.214 24.699 4.361 1.00 0.22 O -ATOM 1193 N GLU A 150 17.245 26.863 3.777 1.00 0.11 N -ATOM 1194 CA GLU A 150 18.574 27.074 4.328 1.00 0.11 C -ATOM 1195 C GLU A 150 18.506 26.996 5.828 1.00 0.11 C -ATOM 1196 O GLU A 150 19.483 26.681 6.503 1.00 0.11 O -ATOM 1197 CB GLU A 150 19.101 28.426 3.878 1.00 0.11 C -ATOM 1198 CG GLU A 150 19.810 28.329 2.553 1.00 0.11 C -ATOM 1199 CD GLU A 150 19.896 29.647 1.844 1.00 0.11 C -ATOM 1200 OE1 GLU A 150 20.184 30.670 2.500 1.00 0.11 O -ATOM 1201 OE2 GLU A 150 19.680 29.652 0.616 1.00 0.11 O -ATOM 1202 N ASN A 151 17.328 27.283 6.347 1.00 0.08 N -ATOM 1203 CA ASN A 151 17.094 27.227 7.770 1.00 0.08 C -ATOM 1204 C ASN A 151 17.369 25.808 8.240 1.00 0.08 C -ATOM 1205 O ASN A 151 18.169 25.611 9.156 1.00 0.08 O -ATOM 1206 CB ASN A 151 15.647 27.658 8.050 1.00 0.08 C -ATOM 1207 CG ASN A 151 14.642 27.002 7.103 1.00 0.08 C -ATOM 1208 OD1 ASN A 151 14.849 26.943 5.886 1.00 0.08 O -ATOM 1209 ND2 ASN A 151 13.535 26.521 7.663 1.00 0.08 N -ATOM 1210 N HIS A 152 16.736 24.831 7.595 1.00 0.00 N -ATOM 1211 CA HIS A 152 16.915 23.420 7.940 1.00 0.00 C -ATOM 1212 C HIS A 152 18.384 23.089 7.922 1.00 0.00 C -ATOM 1213 O HIS A 152 18.886 22.516 8.875 1.00 0.00 O -ATOM 1214 CB HIS A 152 16.183 22.521 6.936 1.00 0.00 C -ATOM 1215 CG HIS A 152 14.735 22.867 6.753 1.00 0.00 C -ATOM 1216 ND1 HIS A 152 13.981 22.392 5.699 1.00 0.00 N -ATOM 1217 CD2 HIS A 152 13.908 23.661 7.477 1.00 0.00 C -ATOM 1218 CE1 HIS A 152 12.755 22.883 5.779 1.00 0.00 C -ATOM 1219 NE2 HIS A 152 12.685 23.656 6.849 1.00 0.00 N -ATOM 1220 N ALA A 153 19.069 23.452 6.843 1.00 6.84 N -ATOM 1221 CA ALA A 153 20.493 23.187 6.718 1.00 6.84 C -ATOM 1222 C ALA A 153 21.223 23.716 7.934 1.00 6.84 C -ATOM 1223 O ALA A 153 22.113 23.061 8.474 1.00 6.84 O -ATOM 1224 CB ALA A 153 21.022 23.839 5.462 1.00 6.84 C -ATOM 1225 N ILE A 154 20.842 24.902 8.368 1.00 0.02 N -ATOM 1226 CA ILE A 154 21.464 25.505 9.521 1.00 0.02 C -ATOM 1227 C ILE A 154 21.033 24.755 10.761 1.00 0.02 C -ATOM 1228 O ILE A 154 21.677 24.812 11.791 1.00 0.02 O -ATOM 1229 CB ILE A 154 21.075 26.969 9.586 1.00 0.02 C -ATOM 1230 CG1 ILE A 154 21.396 27.614 8.242 1.00 0.02 C -ATOM 1231 CG2 ILE A 154 21.847 27.661 10.670 1.00 0.02 C -ATOM 1232 CD1 ILE A 154 20.961 29.022 8.114 1.00 0.02 C -ATOM 1233 N MET A 155 19.935 24.032 10.652 1.00 0.64 N -ATOM 1234 CA MET A 155 19.456 23.248 11.771 1.00 0.64 C -ATOM 1235 C MET A 155 20.309 22.042 11.889 1.00 0.64 C -ATOM 1236 O MET A 155 20.801 21.744 12.961 1.00 0.64 O -ATOM 1237 CB MET A 155 18.011 22.818 11.546 1.00 0.64 C -ATOM 1238 CG MET A 155 17.064 23.980 11.540 1.00 0.64 C -ATOM 1239 SD MET A 155 17.322 24.921 13.062 1.00 0.64 S -ATOM 1240 CE MET A 155 18.672 26.152 12.569 1.00 0.64 C -ATOM 1241 N GLY A 156 20.474 21.343 10.776 1.00 0.00 N -ATOM 1242 CA GLY A 156 21.287 20.154 10.771 1.00 0.00 C -ATOM 1243 C GLY A 156 22.675 20.530 11.221 1.00 0.00 C -ATOM 1244 O GLY A 156 23.258 19.860 12.065 1.00 0.00 O -ATOM 1245 N VAL A 157 23.202 21.621 10.682 1.00 0.15 N -ATOM 1246 CA VAL A 157 24.540 22.029 11.061 1.00 0.15 C -ATOM 1247 C VAL A 157 24.626 22.297 12.537 1.00 0.15 C -ATOM 1248 O VAL A 157 25.591 21.899 13.165 1.00 0.15 O -ATOM 1249 CB VAL A 157 24.988 23.262 10.291 1.00 0.15 C -ATOM 1250 CG1 VAL A 157 26.203 23.881 10.962 1.00 0.15 C -ATOM 1251 CG2 VAL A 157 25.320 22.861 8.867 1.00 0.15 C -ATOM 1252 N ALA A 158 23.628 22.962 13.096 1.00 0.60 N -ATOM 1253 CA ALA A 158 23.628 23.267 14.526 1.00 0.60 C -ATOM 1254 C ALA A 158 23.559 21.974 15.325 1.00 0.60 C -ATOM 1255 O ALA A 158 24.129 21.864 16.406 1.00 0.60 O -ATOM 1256 CB ALA A 158 22.431 24.150 14.858 1.00 0.60 C -ATOM 1257 N PHE A 159 22.855 21.000 14.772 1.00 4.06 N -ATOM 1258 CA PHE A 159 22.656 19.711 15.406 1.00 4.06 C -ATOM 1259 C PHE A 159 23.954 18.937 15.488 1.00 4.06 C -ATOM 1260 O PHE A 159 24.227 18.290 16.505 1.00 4.06 O -ATOM 1261 CB PHE A 159 21.611 18.930 14.602 1.00 4.06 C -ATOM 1262 CG PHE A 159 21.635 17.445 14.832 1.00 4.06 C -ATOM 1263 CD1 PHE A 159 21.179 16.898 16.018 1.00 4.06 C -ATOM 1264 CD2 PHE A 159 22.106 16.588 13.846 1.00 4.06 C -ATOM 1265 CE1 PHE A 159 21.189 15.515 16.218 1.00 4.06 C -ATOM 1266 CE2 PHE A 159 22.119 15.206 14.038 1.00 4.06 C -ATOM 1267 CZ PHE A 159 21.659 14.672 15.226 1.00 4.06 C -ATOM 1268 N THR A 160 24.752 18.990 14.430 1.00 0.00 N -ATOM 1269 CA THR A 160 26.001 18.252 14.420 1.00 0.00 C -ATOM 1270 C THR A 160 26.926 18.764 15.504 1.00 0.00 C -ATOM 1271 O THR A 160 27.655 17.963 16.086 1.00 0.00 O -ATOM 1272 CB THR A 160 26.708 18.343 13.052 1.00 0.00 C -ATOM 1273 OG1 THR A 160 27.057 19.704 12.777 1.00 0.00 O -ATOM 1274 CG2 THR A 160 25.810 17.821 11.955 1.00 0.00 C -ATOM 1275 N TRP A 161 26.898 20.068 15.790 1.00 0.00 N -ATOM 1276 CA TRP A 161 27.763 20.645 16.824 1.00 0.00 C -ATOM 1277 C TRP A 161 27.278 20.353 18.221 1.00 0.00 C -ATOM 1278 O TRP A 161 28.080 20.335 19.149 1.00 0.00 O -ATOM 1279 CB TRP A 161 27.866 22.144 16.679 1.00 0.00 C -ATOM 1280 CG TRP A 161 28.771 22.538 15.627 1.00 0.00 C -ATOM 1281 CD1 TRP A 161 28.479 22.671 14.301 1.00 0.00 C -ATOM 1282 CD2 TRP A 161 30.154 22.860 15.778 1.00 0.00 C -ATOM 1283 NE1 TRP A 161 29.602 23.066 13.613 1.00 0.00 N -ATOM 1284 CE2 TRP A 161 30.647 23.189 14.495 1.00 0.00 C -ATOM 1285 CE3 TRP A 161 31.029 22.902 16.872 1.00 0.00 C -ATOM 1286 CZ2 TRP A 161 31.988 23.563 14.274 1.00 0.00 C -ATOM 1287 CZ3 TRP A 161 32.364 23.275 16.654 1.00 0.00 C -ATOM 1288 CH2 TRP A 161 32.827 23.601 15.360 1.00 0.00 C -ATOM 1289 N VAL A 162 25.979 20.166 18.402 1.00 1.16 N -ATOM 1290 CA VAL A 162 25.492 19.853 19.726 1.00 1.16 C -ATOM 1291 C VAL A 162 25.884 18.429 20.015 1.00 1.16 C -ATOM 1292 O VAL A 162 26.432 18.137 21.073 1.00 1.16 O -ATOM 1293 CB VAL A 162 23.982 19.988 19.786 1.00 1.16 C -ATOM 1294 CG1 VAL A 162 23.489 19.628 21.155 1.00 1.16 C -ATOM 1295 CG2 VAL A 162 23.592 21.404 19.422 1.00 1.16 C -ATOM 1296 N MET A 163 25.637 17.551 19.049 1.00 0.02 N -ATOM 1297 CA MET A 163 25.950 16.138 19.205 1.00 0.02 C -ATOM 1298 C MET A 163 27.428 15.904 19.382 1.00 0.02 C -ATOM 1299 O MET A 163 27.811 15.115 20.232 1.00 0.02 O -ATOM 1300 CB MET A 163 25.460 15.351 17.995 1.00 0.02 C -ATOM 1301 CG MET A 163 23.969 15.433 17.789 1.00 0.02 C -ATOM 1302 SD MET A 163 23.114 15.106 19.346 1.00 0.02 S -ATOM 1303 CE MET A 163 23.521 13.367 19.596 1.00 0.02 C -ATOM 1304 N ALA A 164 28.248 16.583 18.587 1.00 2.03 N -ATOM 1305 CA ALA A 164 29.692 16.415 18.646 1.00 2.03 C -ATOM 1306 C ALA A 164 30.241 16.946 19.940 1.00 2.03 C -ATOM 1307 O ALA A 164 31.168 16.350 20.496 1.00 2.03 O -ATOM 1308 CB ALA A 164 30.339 17.122 17.478 1.00 2.03 C -ATOM 1309 N LEU A 165 29.694 18.064 20.412 1.00 0.72 N -ATOM 1310 CA LEU A 165 30.136 18.676 21.668 1.00 0.72 C -ATOM 1311 C LEU A 165 29.749 17.765 22.823 1.00 0.72 C -ATOM 1312 O LEU A 165 30.493 17.645 23.806 1.00 0.72 O -ATOM 1313 CB LEU A 165 29.475 20.054 21.867 1.00 0.72 C -ATOM 1314 CG LEU A 165 30.150 21.363 21.437 1.00 0.72 C -ATOM 1315 CD1 LEU A 165 31.448 21.542 22.180 1.00 0.72 C -ATOM 1316 CD2 LEU A 165 30.410 21.358 19.975 1.00 0.72 C -ATOM 1317 N ALA A 166 28.587 17.131 22.696 1.00 0.02 N -ATOM 1318 CA ALA A 166 28.072 16.231 23.716 1.00 0.02 C -ATOM 1319 C ALA A 166 29.048 15.103 23.951 1.00 0.02 C -ATOM 1320 O ALA A 166 29.078 14.491 25.009 1.00 0.02 O -ATOM 1321 CB ALA A 166 26.734 15.670 23.267 1.00 0.02 C -ATOM 1322 N CYS A 167 29.869 14.832 22.961 1.00 7.66 N -ATOM 1323 CA CYS A 167 30.798 13.745 23.079 1.00 7.66 C -ATOM 1324 C CYS A 167 32.197 14.249 23.365 1.00 7.66 C -ATOM 1325 O CYS A 167 32.901 13.674 24.187 1.00 7.66 O -ATOM 1326 CB CYS A 167 30.758 12.958 21.773 1.00 7.66 C -ATOM 1327 SG CYS A 167 31.891 11.577 21.692 1.00 7.66 S -ATOM 1328 N ALA A 168 32.589 15.341 22.728 1.00 0.67 N -ATOM 1329 CA ALA A 168 33.949 15.838 22.878 1.00 0.67 C -ATOM 1330 C ALA A 168 34.193 16.692 24.106 1.00 0.67 C -ATOM 1331 O ALA A 168 35.280 16.618 24.685 1.00 0.67 O -ATOM 1332 CB ALA A 168 34.348 16.603 21.612 1.00 0.67 C -ATOM 1333 N ALA A 169 33.218 17.488 24.515 1.00 0.14 N -ATOM 1334 CA ALA A 169 33.419 18.382 25.646 1.00 0.14 C -ATOM 1335 C ALA A 169 33.424 17.693 27.039 1.00 0.14 C -ATOM 1336 O ALA A 169 34.183 18.121 27.931 1.00 0.14 O -ATOM 1337 CB ALA A 169 32.379 19.490 25.591 1.00 0.14 C -ATOM 1338 N PRO A 170 32.608 16.640 27.251 1.00 1.24 N -ATOM 1339 CA PRO A 170 32.605 15.991 28.569 1.00 1.24 C -ATOM 1340 C PRO A 170 33.964 15.691 29.159 1.00 1.24 C -ATOM 1341 O PRO A 170 34.200 15.999 30.303 1.00 1.24 O -ATOM 1342 CB PRO A 170 31.797 14.721 28.336 1.00 1.24 C -ATOM 1343 CG PRO A 170 30.870 15.102 27.234 1.00 1.24 C -ATOM 1344 CD PRO A 170 31.735 15.921 26.307 1.00 1.24 C -ATOM 1345 N PRO A 171 34.875 15.077 28.393 1.00 0.00 N -ATOM 1346 CA PRO A 171 36.227 14.744 28.884 1.00 0.00 C -ATOM 1347 C PRO A 171 37.085 15.909 29.411 1.00 0.00 C -ATOM 1348 O PRO A 171 38.118 15.684 30.074 1.00 0.00 O -ATOM 1349 CB PRO A 171 36.868 14.056 27.676 1.00 0.00 C -ATOM 1350 CG PRO A 171 35.684 13.389 26.997 1.00 0.00 C -ATOM 1351 CD PRO A 171 34.636 14.475 27.065 1.00 0.00 C -ATOM 1352 N LEU A 172 36.662 17.136 29.119 1.00 0.14 N -ATOM 1353 CA LEU A 172 37.382 18.342 29.549 1.00 0.14 C -ATOM 1354 C LEU A 172 36.850 18.819 30.889 1.00 0.14 C -ATOM 1355 O LEU A 172 37.453 19.715 31.512 1.00 0.14 O -ATOM 1356 CB LEU A 172 37.164 19.470 28.543 1.00 0.14 C -ATOM 1357 CG LEU A 172 37.552 19.222 27.102 1.00 0.14 C -ATOM 1358 CD1 LEU A 172 37.045 20.367 26.264 1.00 0.14 C -ATOM 1359 CD2 LEU A 172 39.041 19.077 26.993 1.00 0.14 C -ATOM 1360 N VAL A 173 35.746 18.219 31.337 1.00 0.23 N -ATOM 1361 CA VAL A 173 35.089 18.649 32.573 1.00 0.23 C -ATOM 1362 C VAL A 173 34.743 17.517 33.555 1.00 0.23 C -ATOM 1363 O VAL A 173 33.668 17.567 34.176 1.00 0.23 O -ATOM 1364 CB VAL A 173 33.807 19.434 32.211 1.00 0.23 C -ATOM 1365 CG1 VAL A 173 34.182 20.614 31.359 1.00 0.23 C -ATOM 1366 CG2 VAL A 173 32.823 18.536 31.452 1.00 0.23 C -ATOM 1367 N GLY A 174 35.602 16.508 33.693 1.00 0.00 N -ATOM 1368 CA GLY A 174 35.317 15.464 34.661 1.00 0.00 C -ATOM 1369 C GLY A 174 34.663 14.163 34.257 1.00 0.00 C -ATOM 1370 O GLY A 174 34.508 13.280 35.113 1.00 0.00 O -ATOM 1371 N TRP A 175 34.237 14.023 33.008 1.00 0.00 N -ATOM 1372 CA TRP A 175 33.659 12.754 32.604 1.00 0.00 C -ATOM 1373 C TRP A 175 34.600 12.145 31.618 1.00 0.00 C -ATOM 1374 O TRP A 175 34.651 12.595 30.477 1.00 0.00 O -ATOM 1375 CB TRP A 175 32.287 12.910 31.975 1.00 0.00 C -ATOM 1376 CG TRP A 175 31.582 11.586 31.932 1.00 0.00 C -ATOM 1377 CD1 TRP A 175 31.874 10.486 32.688 1.00 0.00 C -ATOM 1378 CD2 TRP A 175 30.448 11.232 31.132 1.00 0.00 C -ATOM 1379 NE1 TRP A 175 30.993 9.471 32.410 1.00 0.00 N -ATOM 1380 CE2 TRP A 175 30.107 9.902 31.460 1.00 0.00 C -ATOM 1381 CE3 TRP A 175 29.689 11.909 30.171 1.00 0.00 C -ATOM 1382 CZ2 TRP A 175 29.037 9.235 30.862 1.00 0.00 C -ATOM 1383 CZ3 TRP A 175 28.632 11.248 29.577 1.00 0.00 C -ATOM 1384 CH2 TRP A 175 28.313 9.922 29.925 1.00 0.00 C -ATOM 1385 N SER A 176 35.311 11.100 32.053 1.00 0.00 N -ATOM 1386 CA SER A 176 36.347 10.465 31.255 1.00 0.00 C -ATOM 1387 C SER A 176 37.414 11.519 31.147 1.00 0.00 C -ATOM 1388 O SER A 176 37.366 12.483 31.914 1.00 0.00 O -ATOM 1389 CB SER A 176 35.859 10.079 29.863 1.00 0.00 C -ATOM 1390 OG SER A 176 36.951 9.609 29.076 1.00 0.00 O -ATOM 1391 N ARG A 177 38.350 11.384 30.216 1.00 0.00 N -ATOM 1392 CA ARG A 177 39.414 12.381 30.079 1.00 0.00 C -ATOM 1393 C ARG A 177 40.251 12.049 28.864 1.00 0.00 C -ATOM 1394 O ARG A 177 40.140 10.938 28.349 1.00 0.00 O -ATOM 1395 CB ARG A 177 40.310 12.381 31.329 1.00 0.00 C -ATOM 1396 CG ARG A 177 40.951 11.026 31.600 1.00 0.00 C -ATOM 1397 CD ARG A 177 41.836 10.996 32.834 1.00 0.00 C -ATOM 1398 NE ARG A 177 42.356 9.645 33.055 1.00 0.00 N -ATOM 1399 CZ ARG A 177 43.162 9.286 34.057 1.00 0.00 C -ATOM 1400 NH1 ARG A 177 43.560 10.179 34.963 1.00 0.00 N -ATOM 1401 NH2 ARG A 177 43.580 8.022 34.154 1.00 0.00 N -ATOM 1402 N TYR A 178 41.059 13.002 28.393 1.00 0.89 N -ATOM 1403 CA TYR A 178 41.936 12.759 27.251 1.00 0.89 C -ATOM 1404 C TYR A 178 43.287 12.313 27.807 1.00 0.89 C -ATOM 1405 O TYR A 178 43.781 12.855 28.804 1.00 0.89 O -ATOM 1406 CB TYR A 178 42.065 14.015 26.366 1.00 0.89 C -ATOM 1407 CG TYR A 178 40.809 14.338 25.570 1.00 0.89 C -ATOM 1408 CD1 TYR A 178 40.375 13.501 24.541 1.00 0.89 C -ATOM 1409 CD2 TYR A 178 40.020 15.446 25.894 1.00 0.89 C -ATOM 1410 CE1 TYR A 178 39.187 13.751 23.859 1.00 0.89 C -ATOM 1411 CE2 TYR A 178 38.819 15.710 25.215 1.00 0.89 C -ATOM 1412 CZ TYR A 178 38.410 14.855 24.202 1.00 0.89 C -ATOM 1413 OH TYR A 178 37.214 15.094 23.557 1.00 0.89 O -ATOM 1414 N ILE A 179 43.876 11.322 27.155 1.00 0.05 N -ATOM 1415 CA ILE A 179 45.117 10.728 27.610 1.00 0.05 C -ATOM 1416 C ILE A 179 45.941 10.359 26.375 1.00 0.05 C -ATOM 1417 O ILE A 179 45.396 9.942 25.361 1.00 0.05 O -ATOM 1418 CB ILE A 179 44.756 9.481 28.483 1.00 0.05 C -ATOM 1419 CG1 ILE A 179 45.918 9.041 29.356 1.00 0.05 C -ATOM 1420 CG2 ILE A 179 44.303 8.329 27.600 1.00 0.05 C -ATOM 1421 CD1 ILE A 179 45.514 7.891 30.327 1.00 0.05 C -ATOM 1422 N PRO A 180 47.263 10.535 26.433 1.00 0.00 N -ATOM 1423 CA PRO A 180 48.078 10.194 25.260 1.00 0.00 C -ATOM 1424 C PRO A 180 48.011 8.711 24.827 1.00 0.00 C -ATOM 1425 O PRO A 180 47.844 7.862 25.669 1.00 0.00 O -ATOM 1426 CB PRO A 180 49.465 10.674 25.680 1.00 0.00 C -ATOM 1427 CG PRO A 180 49.392 10.686 27.212 1.00 0.00 C -ATOM 1428 CD PRO A 180 48.056 11.187 27.490 1.00 0.00 C -ATOM 1429 N GLU A 181 48.138 8.417 23.528 1.00 2.88 N -ATOM 1430 CA GLU A 181 48.053 7.029 23.009 1.00 2.88 C -ATOM 1431 C GLU A 181 49.204 6.657 22.044 1.00 2.88 C -ATOM 1432 O GLU A 181 49.820 7.538 21.435 1.00 2.88 O -ATOM 1433 CB GLU A 181 46.744 6.806 22.239 1.00 2.88 C -ATOM 1434 CG GLU A 181 45.458 7.265 22.882 1.00 2.88 C -ATOM 1435 CD GLU A 181 44.271 6.967 21.995 1.00 2.88 C -ATOM 1436 OE1 GLU A 181 43.873 5.794 21.903 1.00 2.88 O -ATOM 1437 OE2 GLU A 181 43.746 7.899 21.363 1.00 2.88 O -ATOM 1438 N GLY A 182 49.441 5.350 21.874 1.00 0.00 N -ATOM 1439 CA GLY A 182 50.482 4.889 20.977 1.00 0.00 C -ATOM 1440 C GLY A 182 51.850 5.364 21.407 1.00 0.00 C -ATOM 1441 O GLY A 182 52.271 5.087 22.520 1.00 0.00 O -ATOM 1442 N MET A 183 52.549 6.084 20.533 1.00 0.09 N -ATOM 1443 CA MET A 183 53.877 6.600 20.884 1.00 0.09 C -ATOM 1444 C MET A 183 53.762 7.802 21.808 1.00 0.09 C -ATOM 1445 O MET A 183 54.766 8.469 22.090 1.00 0.09 O -ATOM 1446 CB MET A 183 54.665 6.961 19.625 1.00 0.09 C -ATOM 1447 CG MET A 183 55.354 5.747 19.014 1.00 0.09 C -ATOM 1448 SD MET A 183 55.964 6.014 17.365 1.00 0.09 S -ATOM 1449 CE MET A 183 54.817 5.069 16.464 1.00 0.09 C -ATOM 1450 N GLN A 184 52.531 8.064 22.252 1.00 2.41 N -ATOM 1451 CA GLN A 184 52.197 9.141 23.179 1.00 2.41 C -ATOM 1452 C GLN A 184 52.287 10.527 22.557 1.00 2.41 C -ATOM 1453 O GLN A 184 52.568 11.477 23.273 1.00 2.41 O -ATOM 1454 CB GLN A 184 53.107 9.042 24.407 1.00 2.41 C -ATOM 1455 CG GLN A 184 53.196 7.626 25.021 1.00 2.41 C -ATOM 1456 CD GLN A 184 51.930 7.198 25.732 1.00 2.41 C -ATOM 1457 OE1 GLN A 184 51.589 7.724 26.789 1.00 2.41 O -ATOM 1458 NE2 GLN A 184 51.226 6.239 25.151 1.00 2.41 N -ATOM 1459 N CYS A 185 52.028 10.654 21.256 1.00 0.02 N -ATOM 1460 CA CYS A 185 52.097 11.948 20.595 1.00 0.02 C -ATOM 1461 C CYS A 185 50.740 12.400 20.162 1.00 0.02 C -ATOM 1462 O CYS A 185 50.600 13.481 19.574 1.00 0.02 O -ATOM 1463 CB CYS A 185 53.061 11.874 19.429 1.00 0.02 C -ATOM 1464 SG CYS A 185 54.756 11.764 20.042 1.00 0.02 S -ATOM 1465 N SER A 186 49.739 11.569 20.459 1.00 0.17 N -ATOM 1466 CA SER A 186 48.334 11.856 20.169 1.00 0.17 C -ATOM 1467 C SER A 186 47.545 11.636 21.453 1.00 0.17 C -ATOM 1468 O SER A 186 48.055 11.015 22.393 1.00 0.17 O -ATOM 1469 CB SER A 186 47.786 10.961 19.033 1.00 0.17 C -ATOM 1470 OG SER A 186 47.746 9.581 19.361 1.00 0.17 O -ATOM 1471 N CYS A 187 46.323 12.153 21.511 1.00 0.00 N -ATOM 1472 CA CYS A 187 45.500 11.992 22.704 1.00 0.00 C -ATOM 1473 C CYS A 187 44.072 11.598 22.366 1.00 0.00 C -ATOM 1474 O CYS A 187 43.460 12.189 21.477 1.00 0.00 O -ATOM 1475 CB CYS A 187 45.531 13.284 23.537 1.00 0.00 C -ATOM 1476 SG CYS A 187 46.922 13.230 24.703 1.00 0.00 S -ATOM 1477 N GLY A 188 43.555 10.598 23.075 1.00 0.87 N -ATOM 1478 CA GLY A 188 42.189 10.145 22.862 1.00 0.87 C -ATOM 1479 C GLY A 188 41.430 9.980 24.172 1.00 0.87 C -ATOM 1480 O GLY A 188 41.866 10.475 25.207 1.00 0.87 O -ATOM 1481 N ILE A 189 40.278 9.305 24.135 1.00 0.56 N -ATOM 1482 CA ILE A 189 39.457 9.085 25.338 1.00 0.56 C -ATOM 1483 C ILE A 189 40.150 8.038 26.214 1.00 0.56 C -ATOM 1484 O ILE A 189 41.098 7.422 25.742 1.00 0.56 O -ATOM 1485 CB ILE A 189 38.010 8.626 24.941 1.00 0.56 C -ATOM 1486 CG1 ILE A 189 37.301 9.745 24.155 1.00 0.56 C -ATOM 1487 CG2 ILE A 189 37.210 8.244 26.174 1.00 0.56 C -ATOM 1488 CD1 ILE A 189 37.221 11.092 24.870 1.00 0.56 C -ATOM 1489 N ASP A 190 39.713 7.813 27.454 1.00 0.00 N -ATOM 1490 CA ASP A 190 40.406 6.828 28.296 1.00 0.00 C -ATOM 1491 C ASP A 190 39.777 5.414 28.272 1.00 0.00 C -ATOM 1492 O ASP A 190 38.776 5.170 28.976 1.00 0.00 O -ATOM 1493 CB ASP A 190 40.478 7.325 29.736 1.00 0.00 C -ATOM 1494 CG ASP A 190 41.617 6.687 30.506 1.00 0.00 C -ATOM 1495 OD1 ASP A 190 42.024 5.567 30.122 1.00 0.00 O -ATOM 1496 OD2 ASP A 190 42.098 7.293 31.492 1.00 0.00 O -ATOM 1497 N TYR A 191 40.381 4.502 27.494 1.00 0.00 N -ATOM 1498 CA TYR A 191 39.927 3.104 27.357 1.00 0.00 C -ATOM 1499 C TYR A 191 40.880 2.226 28.105 1.00 0.00 C -ATOM 1500 O TYR A 191 40.668 1.017 28.187 1.00 0.00 O -ATOM 1501 CB TYR A 191 39.995 2.617 25.901 1.00 0.00 C -ATOM 1502 CG TYR A 191 39.814 3.675 24.829 1.00 0.00 C -ATOM 1503 CD1 TYR A 191 38.550 4.220 24.560 1.00 0.00 C -ATOM 1504 CD2 TYR A 191 40.907 4.144 24.094 1.00 0.00 C -ATOM 1505 CE1 TYR A 191 38.378 5.206 23.590 1.00 0.00 C -ATOM 1506 CE2 TYR A 191 40.746 5.132 23.123 1.00 0.00 C -ATOM 1507 CZ TYR A 191 39.478 5.664 22.875 1.00 0.00 C -ATOM 1508 OH TYR A 191 39.306 6.668 21.938 1.00 0.00 O -ATOM 1509 N TYR A 192 41.926 2.845 28.642 1.00 0.00 N -ATOM 1510 CA TYR A 192 43.004 2.137 29.321 1.00 0.00 C -ATOM 1511 C TYR A 192 42.786 1.853 30.794 1.00 0.00 C -ATOM 1512 O TYR A 192 43.030 0.723 31.202 1.00 0.00 O -ATOM 1513 CB TYR A 192 44.321 2.911 29.139 1.00 0.00 C -ATOM 1514 CG TYR A 192 44.643 3.205 27.686 1.00 0.00 C -ATOM 1515 CD1 TYR A 192 44.065 4.297 27.030 1.00 0.00 C -ATOM 1516 CD2 TYR A 192 45.464 2.348 26.940 1.00 0.00 C -ATOM 1517 CE1 TYR A 192 44.290 4.527 25.670 1.00 0.00 C -ATOM 1518 CE2 TYR A 192 45.695 2.569 25.579 1.00 0.00 C -ATOM 1519 CZ TYR A 192 45.102 3.658 24.954 1.00 0.00 C -ATOM 1520 OH TYR A 192 45.287 3.873 23.606 1.00 0.00 O -ATOM 1521 N THR A 193 42.357 2.840 31.585 1.00 0.11 N -ATOM 1522 CA THR A 193 42.177 2.654 33.028 1.00 0.11 C -ATOM 1523 C THR A 193 40.724 2.801 33.439 1.00 0.11 C -ATOM 1524 O THR A 193 39.944 3.474 32.757 1.00 0.11 O -ATOM 1525 CB THR A 193 43.035 3.683 33.807 1.00 0.11 C -ATOM 1526 OG1 THR A 193 42.482 5.000 33.656 1.00 0.11 O -ATOM 1527 CG2 THR A 193 44.460 3.696 33.256 1.00 0.11 C -ATOM 1528 N PRO A 194 40.324 2.158 34.546 1.00 0.20 N -ATOM 1529 CA PRO A 194 38.913 2.344 34.891 1.00 0.20 C -ATOM 1530 C PRO A 194 38.674 3.672 35.645 1.00 0.20 C -ATOM 1531 O PRO A 194 37.515 4.037 35.851 1.00 0.20 O -ATOM 1532 CB PRO A 194 38.588 1.098 35.732 1.00 0.20 C -ATOM 1533 CG PRO A 194 39.611 0.088 35.293 1.00 0.20 C -ATOM 1534 CD PRO A 194 40.857 0.947 35.188 1.00 0.20 C -ATOM 1535 N HIS A 195 39.757 4.372 36.021 1.00 0.16 N -ATOM 1536 CA HIS A 195 39.734 5.670 36.756 1.00 0.16 C -ATOM 1537 C HIS A 195 38.309 6.085 37.150 1.00 0.16 C -ATOM 1538 O HIS A 195 37.689 6.919 36.467 1.00 0.16 O -ATOM 1539 CB HIS A 195 40.390 6.798 35.912 1.00 0.16 C -ATOM 1540 CG HIS A 195 40.839 8.004 36.702 1.00 0.16 C -ATOM 1541 ND1 HIS A 195 40.555 9.297 36.311 1.00 0.16 N -ATOM 1542 CD2 HIS A 195 41.623 8.115 37.801 1.00 0.16 C -ATOM 1543 CE1 HIS A 195 41.146 10.149 37.131 1.00 0.16 C -ATOM 1544 NE2 HIS A 195 41.802 9.457 38.044 1.00 0.16 N -ATOM 1545 N GLU A 196 37.812 5.511 38.246 1.00 0.03 N -ATOM 1546 CA GLU A 196 36.479 5.793 38.761 1.00 0.03 C -ATOM 1547 C GLU A 196 36.321 7.271 39.080 1.00 0.03 C -ATOM 1548 O GLU A 196 35.254 7.826 38.854 1.00 0.03 O -ATOM 1549 CB GLU A 196 36.238 4.967 40.026 1.00 0.03 C -ATOM 1550 CG GLU A 196 36.216 3.464 39.810 1.00 0.03 C -ATOM 1551 CD GLU A 196 36.165 2.672 41.118 1.00 0.03 C -ATOM 1552 OE1 GLU A 196 35.492 3.119 42.088 1.00 0.03 O -ATOM 1553 OE2 GLU A 196 36.794 1.587 41.169 1.00 0.03 O -ATOM 1554 N GLU A 197 37.381 7.892 39.597 1.00 0.49 N -ATOM 1555 CA GLU A 197 37.417 9.309 39.999 1.00 0.49 C -ATOM 1556 C GLU A 197 36.842 10.245 38.938 1.00 0.49 C -ATOM 1557 O GLU A 197 36.362 11.314 39.261 1.00 0.49 O -ATOM 1558 CB GLU A 197 38.874 9.698 40.289 1.00 0.49 C -ATOM 1559 CG GLU A 197 39.094 11.064 40.943 1.00 0.49 C -ATOM 1560 CD GLU A 197 40.575 11.525 40.882 1.00 0.49 C -ATOM 1561 OE1 GLU A 197 41.498 10.688 41.086 1.00 0.49 O -ATOM 1562 OE2 GLU A 197 40.815 12.735 40.636 1.00 0.49 O -ATOM 1563 N THR A 198 36.884 9.833 37.682 1.00 2.59 N -ATOM 1564 CA THR A 198 36.420 10.661 36.590 1.00 2.59 C -ATOM 1565 C THR A 198 35.379 9.904 35.749 1.00 2.59 C -ATOM 1566 O THR A 198 34.978 10.381 34.698 1.00 2.59 O -ATOM 1567 CB THR A 198 37.661 11.113 35.759 1.00 2.59 C -ATOM 1568 OG1 THR A 198 37.384 12.351 35.102 1.00 2.59 O -ATOM 1569 CG2 THR A 198 38.051 10.060 34.745 1.00 2.59 C -ATOM 1570 N ASN A 199 34.960 8.730 36.228 1.00 0.25 N -ATOM 1571 CA ASN A 199 33.922 7.881 35.607 1.00 0.25 C -ATOM 1572 C ASN A 199 34.178 7.517 34.175 1.00 0.25 C -ATOM 1573 O ASN A 199 33.310 7.763 33.342 1.00 0.25 O -ATOM 1574 CB ASN A 199 32.576 8.576 35.684 1.00 0.25 C -ATOM 1575 CG ASN A 199 32.150 8.825 37.098 1.00 0.25 C -ATOM 1576 OD1 ASN A 199 32.522 9.827 37.728 1.00 0.25 O -ATOM 1577 ND2 ASN A 199 31.382 7.898 37.628 1.00 0.25 N -ATOM 1578 N ASN A 200 35.312 6.872 33.904 1.00 0.28 N -ATOM 1579 CA ASN A 200 35.735 6.499 32.548 1.00 0.28 C -ATOM 1580 C ASN A 200 34.948 5.383 31.908 1.00 0.28 C -ATOM 1581 O ASN A 200 34.502 5.540 30.786 1.00 0.28 O -ATOM 1582 CB ASN A 200 37.214 6.098 32.545 1.00 0.28 C -ATOM 1583 CG ASN A 200 38.139 7.276 32.710 1.00 0.28 C -ATOM 1584 OD1 ASN A 200 37.707 8.406 32.911 1.00 0.28 O -ATOM 1585 ND2 ASN A 200 39.432 7.011 32.628 1.00 0.28 N -ATOM 1586 N GLU A 201 34.793 4.254 32.579 1.00 0.65 N -ATOM 1587 CA GLU A 201 34.104 3.142 31.940 1.00 0.65 C -ATOM 1588 C GLU A 201 32.696 3.514 31.392 1.00 0.65 C -ATOM 1589 O GLU A 201 32.325 3.064 30.296 1.00 0.65 O -ATOM 1590 CB GLU A 201 34.053 1.953 32.902 1.00 0.65 C -ATOM 1591 CG GLU A 201 35.426 1.505 33.407 1.00 0.65 C -ATOM 1592 CD GLU A 201 35.955 0.240 32.737 1.00 0.65 C -ATOM 1593 OE1 GLU A 201 35.150 -0.665 32.426 1.00 0.65 O -ATOM 1594 OE2 GLU A 201 37.189 0.141 32.553 1.00 0.65 O -ATOM 1595 N SER A 202 31.932 4.336 32.107 1.00 0.06 N -ATOM 1596 CA SER A 202 30.587 4.706 31.651 1.00 0.06 C -ATOM 1597 C SER A 202 30.618 5.603 30.425 1.00 0.06 C -ATOM 1598 O SER A 202 29.815 5.408 29.523 1.00 0.06 O -ATOM 1599 CB SER A 202 29.827 5.401 32.772 1.00 0.06 C -ATOM 1600 OG SER A 202 30.610 6.442 33.320 1.00 0.06 O -ATOM 1601 N PHE A 203 31.516 6.581 30.390 1.00 0.75 N -ATOM 1602 CA PHE A 203 31.605 7.472 29.244 1.00 0.75 C -ATOM 1603 C PHE A 203 31.922 6.688 27.984 1.00 0.75 C -ATOM 1604 O PHE A 203 31.333 6.952 26.947 1.00 0.75 O -ATOM 1605 CB PHE A 203 32.691 8.525 29.459 1.00 0.75 C -ATOM 1606 CG PHE A 203 32.809 9.496 28.322 1.00 0.75 C -ATOM 1607 CD1 PHE A 203 32.065 10.670 28.314 1.00 0.75 C -ATOM 1608 CD2 PHE A 203 33.616 9.207 27.230 1.00 0.75 C -ATOM 1609 CE1 PHE A 203 32.117 11.545 27.234 1.00 0.75 C -ATOM 1610 CE2 PHE A 203 33.676 10.073 26.148 1.00 0.75 C -ATOM 1611 CZ PHE A 203 32.924 11.246 26.149 1.00 0.75 C -ATOM 1612 N VAL A 204 32.848 5.732 28.071 1.00 0.00 N -ATOM 1613 CA VAL A 204 33.254 4.917 26.914 1.00 0.00 C -ATOM 1614 C VAL A 204 32.061 4.168 26.311 1.00 0.00 C -ATOM 1615 O VAL A 204 31.962 4.031 25.093 1.00 0.00 O -ATOM 1616 CB VAL A 204 34.389 3.900 27.301 1.00 0.00 C -ATOM 1617 CG1 VAL A 204 34.646 2.931 26.162 1.00 0.00 C -ATOM 1618 CG2 VAL A 204 35.685 4.648 27.632 1.00 0.00 C -ATOM 1619 N ILE A 205 31.156 3.683 27.146 1.00 0.04 N -ATOM 1620 CA ILE A 205 29.992 2.978 26.634 1.00 0.04 C -ATOM 1621 C ILE A 205 29.020 4.003 26.098 1.00 0.04 C -ATOM 1622 O ILE A 205 28.325 3.739 25.116 1.00 0.04 O -ATOM 1623 CB ILE A 205 29.350 2.132 27.751 1.00 0.04 C -ATOM 1624 CG1 ILE A 205 30.329 1.029 28.156 1.00 0.04 C -ATOM 1625 CG2 ILE A 205 28.041 1.533 27.279 1.00 0.04 C -ATOM 1626 CD1 ILE A 205 30.070 0.434 29.498 1.00 0.04 C -ATOM 1627 N TYR A 206 29.002 5.178 26.728 1.00 0.69 N -ATOM 1628 CA TYR A 206 28.121 6.259 26.308 1.00 0.69 C -ATOM 1629 C TYR A 206 28.539 6.743 24.926 1.00 0.69 C -ATOM 1630 O TYR A 206 27.691 7.131 24.123 1.00 0.69 O -ATOM 1631 CB TYR A 206 28.197 7.423 27.305 1.00 0.69 C -ATOM 1632 CG TYR A 206 27.952 8.798 26.694 1.00 0.69 C -ATOM 1633 CD1 TYR A 206 26.670 9.201 26.287 1.00 0.69 C -ATOM 1634 CD2 TYR A 206 29.009 9.702 26.529 1.00 0.69 C -ATOM 1635 CE1 TYR A 206 26.455 10.465 25.742 1.00 0.69 C -ATOM 1636 CE2 TYR A 206 28.806 10.963 25.985 1.00 0.69 C -ATOM 1637 CZ TYR A 206 27.531 11.333 25.598 1.00 0.69 C -ATOM 1638 OH TYR A 206 27.342 12.582 25.071 1.00 0.69 O -ATOM 1639 N MET A 207 29.834 6.706 24.642 1.00 0.77 N -ATOM 1640 CA MET A 207 30.335 7.171 23.358 1.00 0.77 C -ATOM 1641 C MET A 207 30.164 6.136 22.239 1.00 0.77 C -ATOM 1642 O MET A 207 29.827 6.500 21.107 1.00 0.77 O -ATOM 1643 CB MET A 207 31.802 7.544 23.502 1.00 0.77 C -ATOM 1644 CG MET A 207 32.461 7.907 22.190 1.00 0.77 C -ATOM 1645 SD MET A 207 34.246 8.086 22.339 1.00 0.77 S -ATOM 1646 CE MET A 207 34.757 6.330 22.437 1.00 0.77 C -ATOM 1647 N PHE A 208 30.401 4.866 22.540 1.00 8.70 N -ATOM 1648 CA PHE A 208 30.286 3.817 21.540 1.00 8.70 C -ATOM 1649 C PHE A 208 28.861 3.534 21.193 1.00 8.70 C -ATOM 1650 O PHE A 208 28.625 2.954 20.158 1.00 8.70 O -ATOM 1651 CB PHE A 208 30.932 2.539 22.038 1.00 8.70 C -ATOM 1652 CG PHE A 208 32.398 2.446 21.752 1.00 8.70 C -ATOM 1653 CD1 PHE A 208 32.857 2.349 20.446 1.00 8.70 C -ATOM 1654 CD2 PHE A 208 33.329 2.430 22.789 1.00 8.70 C -ATOM 1655 CE1 PHE A 208 34.221 2.237 20.174 1.00 8.70 C -ATOM 1656 CE2 PHE A 208 34.696 2.317 22.526 1.00 8.70 C -ATOM 1657 CZ PHE A 208 35.141 2.221 21.218 1.00 8.70 C -ATOM 1658 N VAL A 209 27.908 3.920 22.039 1.00 0.08 N -ATOM 1659 CA VAL A 209 26.496 3.653 21.733 1.00 0.08 C -ATOM 1660 C VAL A 209 25.829 4.883 21.156 1.00 0.08 C -ATOM 1661 O VAL A 209 25.279 4.812 20.052 1.00 0.08 O -ATOM 1662 CB VAL A 209 25.684 3.184 22.990 1.00 0.08 C -ATOM 1663 CG1 VAL A 209 24.236 2.891 22.584 1.00 0.08 C -ATOM 1664 CG2 VAL A 209 26.323 1.917 23.615 1.00 0.08 C -ATOM 1665 N VAL A 210 25.881 5.997 21.880 1.00 0.05 N -ATOM 1666 CA VAL A 210 25.269 7.244 21.430 1.00 0.05 C -ATOM 1667 C VAL A 210 26.011 7.849 20.265 1.00 0.05 C -ATOM 1668 O VAL A 210 25.382 8.391 19.354 1.00 0.05 O -ATOM 1669 CB VAL A 210 25.247 8.311 22.546 1.00 0.05 C -ATOM 1670 CG1 VAL A 210 24.818 9.674 21.980 1.00 0.05 C -ATOM 1671 CG2 VAL A 210 24.322 7.864 23.662 1.00 0.05 C -ATOM 1672 N HIS A 211 27.333 7.767 20.277 1.00 4.08 N -ATOM 1673 CA HIS A 211 28.098 8.383 19.214 1.00 4.08 C -ATOM 1674 C HIS A 211 28.841 7.391 18.373 1.00 4.08 C -ATOM 1675 O HIS A 211 30.042 7.532 18.186 1.00 4.08 O -ATOM 1676 CB HIS A 211 29.045 9.388 19.831 1.00 4.08 C -ATOM 1677 CG HIS A 211 28.353 10.363 20.719 1.00 4.08 C -ATOM 1678 ND1 HIS A 211 27.520 11.341 20.231 1.00 4.08 N -ATOM 1679 CD2 HIS A 211 28.311 10.467 22.067 1.00 4.08 C -ATOM 1680 CE1 HIS A 211 26.990 12.009 21.239 1.00 4.08 C -ATOM 1681 NE2 HIS A 211 27.454 11.497 22.366 1.00 4.08 N -ATOM 1682 N PHE A 212 28.134 6.391 17.856 1.00 0.00 N -ATOM 1683 CA PHE A 212 28.755 5.393 16.992 1.00 0.00 C -ATOM 1684 C PHE A 212 27.747 4.343 16.527 1.00 0.00 C -ATOM 1685 O PHE A 212 27.249 4.425 15.416 1.00 0.00 O -ATOM 1686 CB PHE A 212 29.939 4.721 17.700 1.00 0.00 C -ATOM 1687 CG PHE A 212 30.666 3.724 16.843 1.00 0.00 C -ATOM 1688 CD1 PHE A 212 31.090 4.064 15.572 1.00 0.00 C -ATOM 1689 CD2 PHE A 212 30.948 2.454 17.316 1.00 0.00 C -ATOM 1690 CE1 PHE A 212 31.791 3.149 14.786 1.00 0.00 C -ATOM 1691 CE2 PHE A 212 31.646 1.533 16.537 1.00 0.00 C -ATOM 1692 CZ PHE A 212 32.069 1.881 15.273 1.00 0.00 C -ATOM 1693 N ILE A 213 27.498 3.337 17.355 1.00 0.88 N -ATOM 1694 CA ILE A 213 26.576 2.285 16.971 1.00 0.88 C -ATOM 1695 C ILE A 213 25.302 2.886 16.458 1.00 0.88 C -ATOM 1696 O ILE A 213 24.852 2.532 15.378 1.00 0.88 O -ATOM 1697 CB ILE A 213 26.225 1.369 18.149 1.00 0.88 C -ATOM 1698 CG1 ILE A 213 27.460 0.619 18.620 1.00 0.88 C -ATOM 1699 CG2 ILE A 213 25.183 0.368 17.716 1.00 0.88 C -ATOM 1700 CD1 ILE A 213 27.193 -0.213 19.838 1.00 0.88 C -ATOM 1701 N ILE A 214 24.742 3.811 17.219 1.00 0.46 N -ATOM 1702 CA ILE A 214 23.486 4.432 16.852 1.00 0.46 C -ATOM 1703 C ILE A 214 23.522 5.226 15.559 1.00 0.46 C -ATOM 1704 O ILE A 214 22.766 4.904 14.644 1.00 0.46 O -ATOM 1705 CB ILE A 214 22.982 5.295 18.004 1.00 0.46 C -ATOM 1706 CG1 ILE A 214 22.393 4.372 19.069 1.00 0.46 C -ATOM 1707 CG2 ILE A 214 21.979 6.324 17.506 1.00 0.46 C -ATOM 1708 CD1 ILE A 214 21.787 5.096 20.218 1.00 0.46 C -ATOM 1709 N PRO A 215 24.361 6.269 15.454 1.00 0.00 N -ATOM 1710 CA PRO A 215 24.366 7.013 14.188 1.00 0.00 C -ATOM 1711 C PRO A 215 24.608 6.115 12.980 1.00 0.00 C -ATOM 1712 O PRO A 215 24.114 6.410 11.897 1.00 0.00 O -ATOM 1713 CB PRO A 215 25.479 8.031 14.391 1.00 0.00 C -ATOM 1714 CG PRO A 215 25.452 8.260 15.857 1.00 0.00 C -ATOM 1715 CD PRO A 215 25.292 6.873 16.418 1.00 0.00 C -ATOM 1716 N LEU A 216 25.365 5.034 13.171 1.00 0.01 N -ATOM 1717 CA LEU A 216 25.657 4.072 12.102 1.00 0.01 C -ATOM 1718 C LEU A 216 24.375 3.383 11.650 1.00 0.01 C -ATOM 1719 O LEU A 216 24.111 3.259 10.452 1.00 0.01 O -ATOM 1720 CB LEU A 216 26.641 2.992 12.584 1.00 0.01 C -ATOM 1721 CG LEU A 216 28.120 3.210 12.310 1.00 0.01 C -ATOM 1722 CD1 LEU A 216 28.291 3.808 10.949 1.00 0.01 C -ATOM 1723 CD2 LEU A 216 28.680 4.136 13.305 1.00 0.01 C -ATOM 1724 N ILE A 217 23.588 2.919 12.612 1.00 0.46 N -ATOM 1725 CA ILE A 217 22.334 2.239 12.332 1.00 0.46 C -ATOM 1726 C ILE A 217 21.417 3.107 11.472 1.00 0.46 C -ATOM 1727 O ILE A 217 20.907 2.632 10.453 1.00 0.46 O -ATOM 1728 CB ILE A 217 21.643 1.910 13.636 1.00 0.46 C -ATOM 1729 CG1 ILE A 217 22.513 0.945 14.431 1.00 0.46 C -ATOM 1730 CG2 ILE A 217 20.279 1.337 13.357 1.00 0.46 C -ATOM 1731 CD1 ILE A 217 22.163 0.908 15.880 1.00 0.46 C -ATOM 1732 N VAL A 218 21.202 4.352 11.902 1.00 0.01 N -ATOM 1733 CA VAL A 218 20.373 5.329 11.190 1.00 0.01 C -ATOM 1734 C VAL A 218 20.819 5.400 9.760 1.00 0.01 C -ATOM 1735 O VAL A 218 20.052 5.147 8.832 1.00 0.01 O -ATOM 1736 CB VAL A 218 20.552 6.742 11.776 1.00 0.01 C -ATOM 1737 CG1 VAL A 218 19.976 7.781 10.828 1.00 0.01 C -ATOM 1738 CG2 VAL A 218 19.912 6.820 13.136 1.00 0.01 C -ATOM 1739 N ILE A 219 22.081 5.761 9.601 1.00 0.23 N -ATOM 1740 CA ILE A 219 22.713 5.911 8.306 1.00 0.23 C -ATOM 1741 C ILE A 219 22.573 4.662 7.457 1.00 0.23 C -ATOM 1742 O ILE A 219 22.239 4.764 6.281 1.00 0.23 O -ATOM 1743 CB ILE A 219 24.188 6.249 8.495 1.00 0.23 C -ATOM 1744 CG1 ILE A 219 24.304 7.614 9.173 1.00 0.23 C -ATOM 1745 CG2 ILE A 219 24.888 6.237 7.174 1.00 0.23 C -ATOM 1746 CD1 ILE A 219 25.712 8.055 9.465 1.00 0.23 C -ATOM 1747 N PHE A 220 22.827 3.494 8.033 1.00 0.13 N -ATOM 1748 CA PHE A 220 22.726 2.251 7.288 1.00 0.13 C -ATOM 1749 C PHE A 220 21.321 1.915 6.957 1.00 0.13 C -ATOM 1750 O PHE A 220 21.013 1.600 5.807 1.00 0.13 O -ATOM 1751 CB PHE A 220 23.336 1.126 8.082 1.00 0.13 C -ATOM 1752 CG PHE A 220 24.786 1.071 7.942 1.00 0.13 C -ATOM 1753 CD1 PHE A 220 25.340 0.905 6.686 1.00 0.13 C -ATOM 1754 CD2 PHE A 220 25.609 1.262 9.029 1.00 0.13 C -ATOM 1755 CE1 PHE A 220 26.692 0.938 6.509 1.00 0.13 C -ATOM 1756 CE2 PHE A 220 26.970 1.299 8.867 1.00 0.13 C -ATOM 1757 CZ PHE A 220 27.516 1.136 7.603 1.00 0.13 C -ATOM 1758 N PHE A 221 20.459 1.945 7.958 1.00 0.00 N -ATOM 1759 CA PHE A 221 19.082 1.649 7.692 1.00 0.00 C -ATOM 1760 C PHE A 221 18.609 2.559 6.591 1.00 0.00 C -ATOM 1761 O PHE A 221 18.157 2.082 5.559 1.00 0.00 O -ATOM 1762 CB PHE A 221 18.241 1.866 8.926 1.00 0.00 C -ATOM 1763 CG PHE A 221 16.798 1.634 8.679 1.00 0.00 C -ATOM 1764 CD1 PHE A 221 15.909 2.706 8.614 1.00 0.00 C -ATOM 1765 CD2 PHE A 221 16.328 0.341 8.431 1.00 0.00 C -ATOM 1766 CE1 PHE A 221 14.565 2.499 8.301 1.00 0.00 C -ATOM 1767 CE2 PHE A 221 14.990 0.118 8.118 1.00 0.00 C -ATOM 1768 CZ PHE A 221 14.104 1.203 8.052 1.00 0.00 C -ATOM 1769 N CYS A 222 18.733 3.864 6.797 1.00 0.60 N -ATOM 1770 CA CYS A 222 18.316 4.839 5.802 1.00 0.60 C -ATOM 1771 C CYS A 222 18.779 4.437 4.409 1.00 0.60 C -ATOM 1772 O CYS A 222 18.085 4.699 3.442 1.00 0.60 O -ATOM 1773 CB CYS A 222 18.876 6.211 6.145 1.00 0.60 C -ATOM 1774 SG CYS A 222 18.607 7.402 4.833 1.00 0.60 S -ATOM 1775 N TYR A 223 19.944 3.811 4.304 1.00 0.00 N -ATOM 1776 CA TYR A 223 20.467 3.393 3.010 1.00 0.00 C -ATOM 1777 C TYR A 223 19.632 2.278 2.478 1.00 0.00 C -ATOM 1778 O TYR A 223 19.282 2.269 1.304 1.00 0.00 O -ATOM 1779 CB TYR A 223 21.897 2.913 3.162 1.00 0.00 C -ATOM 1780 CG TYR A 223 22.459 2.230 1.938 1.00 0.00 C -ATOM 1781 CD1 TYR A 223 22.733 2.943 0.778 1.00 0.00 C -ATOM 1782 CD2 TYR A 223 22.779 0.875 1.962 1.00 0.00 C -ATOM 1783 CE1 TYR A 223 23.330 2.319 -0.332 1.00 0.00 C -ATOM 1784 CE2 TYR A 223 23.375 0.244 0.860 1.00 0.00 C -ATOM 1785 CZ TYR A 223 23.652 0.970 -0.281 1.00 0.00 C -ATOM 1786 OH TYR A 223 24.284 0.358 -1.345 1.00 0.00 O -ATOM 1787 N GLY A 224 19.328 1.322 3.344 1.00100.00 N -ATOM 1788 CA GLY A 224 18.512 0.200 2.939 1.00100.00 C -ATOM 1789 C GLY A 224 17.194 0.687 2.378 1.00100.00 C -ATOM 1790 O GLY A 224 16.397 -0.112 1.913 1.00100.00 O -ATOM 1791 N GLN A 225 16.965 2.000 2.441 1.00 0.03 N -ATOM 1792 CA GLN A 225 15.742 2.622 1.918 1.00 0.03 C -ATOM 1793 C GLN A 225 16.018 3.072 0.515 1.00 0.03 C -ATOM 1794 O GLN A 225 15.278 2.743 -0.412 1.00 0.03 O -ATOM 1795 CB GLN A 225 15.341 3.838 2.764 1.00 0.03 C -ATOM 1796 CG GLN A 225 15.199 3.504 4.219 1.00 0.03 C -ATOM 1797 CD GLN A 225 14.365 2.257 4.417 1.00 0.03 C -ATOM 1798 OE1 GLN A 225 13.145 2.325 4.513 1.00 0.03 O -ATOM 1799 NE2 GLN A 225 15.026 1.099 4.453 1.00 0.03 N -ATOM 1800 N LEU A 226 17.090 3.838 0.370 1.00 0.00 N -ATOM 1801 CA LEU A 226 17.502 4.320 -0.927 1.00 0.00 C -ATOM 1802 C LEU A 226 18.210 3.184 -1.638 1.00 0.00 C -ATOM 1803 O LEU A 226 19.252 3.358 -2.269 1.00 0.00 O -ATOM 1804 CB LEU A 226 18.406 5.547 -0.770 1.00 0.00 C -ATOM 1805 CG LEU A 226 17.656 6.856 -0.476 1.00 0.00 C -ATOM 1806 CD1 LEU A 226 16.820 6.726 0.789 1.00 0.00 C -ATOM 1807 CD2 LEU A 226 18.656 7.990 -0.354 1.00 0.00 C -ATOM 1808 N VAL A 227 17.633 1.999 -1.491 1.00 0.15 N -ATOM 1809 CA VAL A 227 18.137 0.800 -2.138 1.00 0.15 C -ATOM 1810 C VAL A 227 17.169 0.493 -3.276 1.00 0.15 C -ATOM 1811 O VAL A 227 17.599 0.392 -4.434 1.00 0.15 O -ATOM 1812 CB VAL A 227 18.217 -0.412 -1.138 1.00 0.15 C -ATOM 1813 CG1 VAL A 227 16.816 -0.865 -0.708 1.00 0.15 C -ATOM 1814 CG2 VAL A 227 18.975 -1.568 -1.781 1.00 0.15 C -ATOM 1815 N PHE A 228 15.874 0.384 -2.947 1.00 0.28 N -ATOM 1816 CA PHE A 228 14.825 0.113 -3.937 1.00 0.28 C -ATOM 1817 C PHE A 228 14.583 1.378 -4.744 1.00 0.28 C -ATOM 1818 O PHE A 228 14.289 1.309 -5.943 1.00 0.28 O -ATOM 1819 CB PHE A 228 13.515 -0.332 -3.257 1.00 0.28 C -ATOM 1820 CG PHE A 228 12.424 -0.726 -4.236 1.00 0.28 C -ATOM 1821 CD1 PHE A 228 12.637 -1.745 -5.169 1.00 0.28 C -ATOM 1822 CD2 PHE A 228 11.188 -0.078 -4.227 1.00 0.28 C -ATOM 1823 CE1 PHE A 228 11.636 -2.114 -6.080 1.00 0.28 C -ATOM 1824 CE2 PHE A 228 10.181 -0.438 -5.133 1.00 0.28 C -ATOM 1825 CZ PHE A 228 10.407 -1.459 -6.060 1.00 0.28 C -ATOM 1826 N THR A 229 14.704 2.528 -4.088 1.00 1.27 N -ATOM 1827 CA THR A 229 14.520 3.802 -4.769 1.00 1.27 C -ATOM 1828 C THR A 229 15.838 4.142 -5.498 1.00 1.27 C -ATOM 1829 O THR A 229 16.423 3.238 -6.118 1.00 1.27 O -ATOM 1830 CB THR A 229 14.116 4.927 -3.757 1.00 1.27 C -ATOM 1831 OG1 THR A 229 13.153 4.416 -2.819 1.00 1.27 O -ATOM 1832 CG2 THR A 229 13.482 6.103 -4.500 1.00 1.27 C -ATOM 1833 N VAL A 230 16.305 5.395 -5.422 1.00 1.04 N -ATOM 1834 CA VAL A 230 17.543 5.824 -6.102 1.00 1.04 C -ATOM 1835 C VAL A 230 18.678 4.810 -5.868 1.00 1.04 C -ATOM 1836 O VAL A 230 18.959 4.437 -4.723 1.00 1.04 O -ATOM 1837 CB VAL A 230 17.976 7.273 -5.636 1.00 1.04 C -ATOM 1838 CG1 VAL A 230 18.647 7.223 -4.275 1.00 1.04 C -ATOM 1839 CG2 VAL A 230 18.891 7.919 -6.667 1.00 1.04 C -ATOM 1840 N LYS A 231 19.304 4.354 -6.954 1.00 0.03 N -ATOM 1841 CA LYS A 231 20.392 3.378 -6.865 1.00 0.03 C -ATOM 1842 C LYS A 231 21.684 3.954 -7.409 1.00 0.03 C -ATOM 1843 O LYS A 231 21.674 4.990 -8.075 1.00 0.03 O -ATOM 1844 CB LYS A 231 20.054 2.103 -7.644 1.00 0.03 C -ATOM 1845 CG LYS A 231 18.844 1.346 -7.136 1.00 0.03 C -ATOM 1846 CD LYS A 231 18.660 0.029 -7.886 1.00 0.03 C -ATOM 1847 CE LYS A 231 18.519 0.227 -9.399 1.00 0.03 C -ATOM 1848 NZ LYS A 231 19.793 0.623 -10.064 1.00 0.03 N -ATOM 1849 N GLU A 232 22.788 3.264 -7.122 1.00 0.00 N -ATOM 1850 CA GLU A 232 24.122 3.667 -7.567 1.00 0.00 C -ATOM 1851 C GLU A 232 24.144 3.698 -9.076 1.00 0.00 C -ATOM 1852 O GLU A 232 24.943 4.438 -9.672 1.00 0.00 O -ATOM 1853 CB GLU A 232 25.165 2.675 -7.051 1.00 0.00 C -ATOM 1854 CG GLU A 232 25.017 2.370 -5.578 1.00 0.00 C -ATOM 1855 CD GLU A 232 26.004 1.335 -5.103 1.00 0.00 C -ATOM 1856 OE1 GLU A 232 26.041 0.228 -5.688 1.00 0.00 O -ATOM 1857 OE2 GLU A 232 26.738 1.632 -4.141 1.00 0.00 O -ATOM 1858 N ALA A 233 23.281 2.886 -9.688 1.00 0.00 N -ATOM 1859 CA ALA A 233 23.167 2.836 -11.140 1.00 0.00 C -ATOM 1860 C ALA A 233 22.716 4.213 -11.601 1.00 0.00 C -ATOM 1861 O ALA A 233 21.512 4.505 -11.600 1.00 0.00 O -ATOM 1862 CB ALA A 233 22.146 1.762 -11.559 1.00 0.00 C -ATOM 1863 N ALA A 234 23.683 5.057 -11.964 1.00 0.00 N -ATOM 1864 CA ALA A 234 23.414 6.424 -12.417 1.00 0.00 C -ATOM 1865 C ALA A 234 23.704 6.536 -13.907 1.00 0.00 C -ATOM 1866 O ALA A 234 24.844 6.275 -14.324 1.00 0.00 O -ATOM 1867 CB ALA A 234 24.283 7.416 -11.629 1.00 0.00 C -ATOM 1868 N ALA A 235 22.690 6.925 -14.691 1.00 0.01 N -ATOM 1869 CA ALA A 235 22.820 7.067 -16.150 1.00 0.01 C -ATOM 1870 C ALA A 235 23.172 8.503 -16.548 1.00 0.01 C -ATOM 1871 O ALA A 235 23.796 9.232 -15.763 1.00 0.01 O -ATOM 1872 CB ALA A 235 21.518 6.613 -16.865 1.00 0.01 C -ATOM 1873 N GLN A 236 22.746 8.899 -17.748 1.00 0.00 N -ATOM 1874 CA GLN A 236 23.044 10.219 -18.330 1.00 0.00 C -ATOM 1875 C GLN A 236 21.950 11.300 -18.100 1.00 0.00 C -ATOM 1876 O GLN A 236 21.074 11.139 -17.240 1.00 0.00 O -ATOM 1877 CB GLN A 236 23.315 10.018 -19.833 1.00 0.00 C -ATOM 1878 CG GLN A 236 22.308 9.070 -20.511 1.00 0.00 C -ATOM 1879 CD GLN A 236 22.922 8.229 -21.625 1.00 0.00 C -ATOM 1880 OE1 GLN A 236 23.418 8.760 -22.619 1.00 0.00 O -ATOM 1881 NE2 GLN A 236 22.885 6.908 -21.458 1.00 0.00 N -ATOM 1882 N GLN A 237 22.033 12.392 -18.872 1.00 0.00 N -ATOM 1883 CA GLN A 237 21.107 13.538 -18.799 1.00 0.00 C -ATOM 1884 C GLN A 237 19.673 13.062 -18.704 1.00 0.00 C -ATOM 1885 O GLN A 237 19.188 12.335 -19.586 1.00 0.00 O -ATOM 1886 CB GLN A 237 21.268 14.453 -20.030 1.00 0.00 C -ATOM 1887 CG GLN A 237 22.711 14.624 -20.507 1.00 0.00 C -ATOM 1888 CD GLN A 237 23.219 13.405 -21.278 1.00 0.00 C -ATOM 1889 OE1 GLN A 237 24.423 13.152 -21.341 1.00 0.00 O -ATOM 1890 NE2 GLN A 237 22.294 12.652 -21.878 1.00 0.00 N -ATOM 1891 N GLN A 238 18.996 13.499 -17.647 1.00 0.00 N -ATOM 1892 CA GLN A 238 17.625 13.095 -17.384 1.00 0.00 C -ATOM 1893 C GLN A 238 17.631 11.635 -17.008 1.00 0.00 C -ATOM 1894 O GLN A 238 18.169 10.798 -17.749 1.00 0.00 O -ATOM 1895 CB GLN A 238 16.723 13.272 -18.610 1.00 0.00 C -ATOM 1896 CG GLN A 238 15.318 12.696 -18.393 1.00 0.00 C -ATOM 1897 CD GLN A 238 14.597 12.340 -19.683 1.00 0.00 C -ATOM 1898 OE1 GLN A 238 14.406 13.185 -20.553 1.00 0.00 O -ATOM 1899 NE2 GLN A 238 14.186 11.077 -19.804 1.00 0.00 N -ATOM 1900 N GLU A 239 17.045 11.328 -15.859 1.00 0.04 N -ATOM 1901 CA GLU A 239 16.951 9.956 -15.383 1.00 0.04 C -ATOM 1902 C GLU A 239 15.468 9.658 -15.287 1.00 0.04 C -ATOM 1903 O GLU A 239 15.045 8.506 -15.148 1.00 0.04 O -ATOM 1904 CB GLU A 239 17.608 9.856 -14.014 1.00 0.04 C -ATOM 1905 CG GLU A 239 18.041 8.467 -13.621 1.00 0.04 C -ATOM 1906 CD GLU A 239 19.420 8.142 -14.141 1.00 0.04 C -ATOM 1907 OE1 GLU A 239 19.642 8.305 -15.362 1.00 0.04 O -ATOM 1908 OE2 GLU A 239 20.278 7.729 -13.329 1.00 0.04 O -ATOM 1909 N SER A 240 14.710 10.750 -15.388 1.00 0.03 N -ATOM 1910 CA SER A 240 13.243 10.859 -15.343 1.00 0.03 C -ATOM 1911 C SER A 240 13.026 12.351 -15.193 1.00 0.03 C -ATOM 1912 O SER A 240 11.962 12.834 -14.810 1.00 0.03 O -ATOM 1913 CB SER A 240 12.644 10.112 -14.133 1.00 0.03 C -ATOM 1914 OG SER A 240 12.506 8.710 -14.367 1.00 0.03 O -ATOM 1915 N ALA A 241 14.107 13.051 -15.512 1.00 0.10 N -ATOM 1916 CA ALA A 241 14.248 14.490 -15.447 1.00 0.10 C -ATOM 1917 C ALA A 241 15.715 14.702 -15.127 1.00 0.10 C -ATOM 1918 O ALA A 241 16.228 14.011 -14.246 1.00 0.10 O -ATOM 1919 CB ALA A 241 13.368 15.069 -14.327 1.00 0.10 C -ATOM 1920 N THR A 242 16.409 15.587 -15.839 1.00 0.04 N -ATOM 1921 CA THR A 242 17.814 15.827 -15.518 1.00 0.04 C -ATOM 1922 C THR A 242 17.878 16.199 -14.050 1.00 0.04 C -ATOM 1923 O THR A 242 18.935 16.136 -13.434 1.00 0.04 O -ATOM 1924 CB THR A 242 18.420 16.959 -16.383 1.00 0.04 C -ATOM 1925 OG1 THR A 242 18.558 16.498 -17.733 1.00 0.04 O -ATOM 1926 CG2 THR A 242 19.796 17.375 -15.857 1.00 0.04 C -ATOM 1927 N THR A 243 16.727 16.590 -13.510 1.00 0.70 N -ATOM 1928 CA THR A 243 16.588 16.931 -12.100 1.00 0.70 C -ATOM 1929 C THR A 243 16.856 15.666 -11.342 1.00 0.70 C -ATOM 1930 O THR A 243 17.847 15.567 -10.627 1.00 0.70 O -ATOM 1931 CB THR A 243 15.146 17.396 -11.774 1.00 0.70 C -ATOM 1932 OG1 THR A 243 14.954 18.728 -12.260 1.00 0.70 O -ATOM 1933 CG2 THR A 243 14.882 17.354 -10.272 1.00 0.70 C -ATOM 1934 N GLN A 244 15.963 14.698 -11.521 1.00 0.04 N -ATOM 1935 CA GLN A 244 16.076 13.396 -10.883 1.00 0.04 C -ATOM 1936 C GLN A 244 17.473 12.833 -11.134 1.00 0.04 C -ATOM 1937 O GLN A 244 18.087 12.270 -10.228 1.00 0.04 O -ATOM 1938 CB GLN A 244 14.993 12.474 -11.450 1.00 0.04 C -ATOM 1939 CG GLN A 244 15.002 11.063 -10.906 1.00 0.04 C -ATOM 1940 CD GLN A 244 16.045 10.177 -11.571 1.00 0.04 C -ATOM 1941 OE1 GLN A 244 17.241 10.445 -11.507 1.00 0.04 O -ATOM 1942 NE2 GLN A 244 15.586 9.110 -12.215 1.00 0.04 N -ATOM 1943 N LYS A 245 17.968 12.981 -12.357 1.00 0.00 N -ATOM 1944 CA LYS A 245 19.294 12.496 -12.714 1.00 0.00 C -ATOM 1945 C LYS A 245 20.333 12.971 -11.715 1.00 0.00 C -ATOM 1946 O LYS A 245 20.908 12.167 -11.005 1.00 0.00 O -ATOM 1947 CB LYS A 245 19.665 12.985 -14.113 1.00 0.00 C -ATOM 1948 CG LYS A 245 21.148 12.952 -14.430 1.00 0.00 C -ATOM 1949 CD LYS A 245 21.696 11.536 -14.591 1.00 0.00 C -ATOM 1950 CE LYS A 245 22.051 10.854 -13.273 1.00 0.00 C -ATOM 1951 NZ LYS A 245 20.868 10.310 -12.547 1.00 0.00 N -ATOM 1952 N ALA A 246 20.566 14.274 -11.663 1.00 0.00 N -ATOM 1953 CA ALA A 246 21.553 14.857 -10.764 1.00 0.00 C -ATOM 1954 C ALA A 246 21.252 14.574 -9.299 1.00 0.00 C -ATOM 1955 O ALA A 246 22.036 14.957 -8.433 1.00 0.00 O -ATOM 1956 CB ALA A 246 21.619 16.340 -10.993 1.00 0.00 C -ATOM 1957 N GLU A 247 20.133 13.921 -9.013 1.00 0.00 N -ATOM 1958 CA GLU A 247 19.770 13.603 -7.634 1.00 0.00 C -ATOM 1959 C GLU A 247 20.489 12.357 -7.241 1.00 0.00 C -ATOM 1960 O GLU A 247 20.845 12.136 -6.082 1.00 0.00 O -ATOM 1961 CB GLU A 247 18.269 13.361 -7.526 1.00 0.00 C -ATOM 1962 CG GLU A 247 17.768 13.590 -6.144 1.00 0.00 C -ATOM 1963 CD GLU A 247 18.501 14.749 -5.515 1.00 0.00 C -ATOM 1964 OE1 GLU A 247 19.624 14.529 -5.002 1.00 0.00 O -ATOM 1965 OE2 GLU A 247 17.975 15.884 -5.560 1.00 0.00 O -ATOM 1966 N LYS A 248 20.673 11.531 -8.254 1.00 0.05 N -ATOM 1967 CA LYS A 248 21.349 10.265 -8.142 1.00 0.05 C -ATOM 1968 C LYS A 248 22.811 10.537 -7.836 1.00 0.05 C -ATOM 1969 O LYS A 248 23.459 9.717 -7.189 1.00 0.05 O -ATOM 1970 CB LYS A 248 21.197 9.528 -9.477 1.00 0.05 C -ATOM 1971 CG LYS A 248 21.346 8.018 -9.426 1.00 0.05 C -ATOM 1972 CD LYS A 248 20.378 7.363 -10.420 1.00 0.05 C -ATOM 1973 CE LYS A 248 18.921 7.787 -10.134 1.00 0.05 C -ATOM 1974 NZ LYS A 248 17.912 7.168 -11.051 1.00 0.05 N -ATOM 1975 N GLU A 249 23.322 11.689 -8.277 1.00 0.00 N -ATOM 1976 CA GLU A 249 24.726 12.027 -8.064 1.00 0.00 C -ATOM 1977 C GLU A 249 25.015 12.366 -6.624 1.00 0.00 C -ATOM 1978 O GLU A 249 25.952 11.825 -6.045 1.00 0.00 O -ATOM 1979 CB GLU A 249 25.152 13.200 -8.945 1.00 0.00 C -ATOM 1980 CG GLU A 249 26.585 13.654 -8.644 1.00 0.00 C -ATOM 1981 CD GLU A 249 26.919 15.029 -9.221 1.00 0.00 C -ATOM 1982 OE1 GLU A 249 26.012 15.899 -9.232 1.00 0.00 O -ATOM 1983 OE2 GLU A 249 28.085 15.246 -9.646 1.00 0.00 O -ATOM 1984 N VAL A 250 24.241 13.266 -6.042 1.00 0.00 N -ATOM 1985 CA VAL A 250 24.485 13.631 -4.664 1.00 0.00 C -ATOM 1986 C VAL A 250 24.453 12.405 -3.781 1.00 0.00 C -ATOM 1987 O VAL A 250 25.286 12.280 -2.891 1.00 0.00 O -ATOM 1988 CB VAL A 250 23.448 14.631 -4.162 1.00 0.00 C -ATOM 1989 CG1 VAL A 250 23.550 14.763 -2.658 1.00 0.00 C -ATOM 1990 CG2 VAL A 250 23.673 15.977 -4.810 1.00 0.00 C -ATOM 1991 N THR A 251 23.500 11.506 -4.021 1.00 0.00 N -ATOM 1992 CA THR A 251 23.377 10.288 -3.221 1.00 0.00 C -ATOM 1993 C THR A 251 24.639 9.411 -3.402 1.00 0.00 C -ATOM 1994 O THR A 251 25.140 8.882 -2.409 1.00 0.00 O -ATOM 1995 CB THR A 251 22.069 9.485 -3.599 1.00 0.00 C -ATOM 1996 OG1 THR A 251 20.951 10.382 -3.683 1.00 0.00 O -ATOM 1997 CG2 THR A 251 21.747 8.434 -2.537 1.00 0.00 C -ATOM 1998 N ARG A 252 25.155 9.282 -4.632 1.00 0.00 N -ATOM 1999 CA ARG A 252 26.351 8.470 -4.901 1.00 0.00 C -ATOM 2000 C ARG A 252 27.477 8.991 -4.057 1.00 0.00 C -ATOM 2001 O ARG A 252 28.271 8.228 -3.538 1.00 0.00 O -ATOM 2002 CB ARG A 252 26.774 8.573 -6.372 1.00 0.00 C -ATOM 2003 CG ARG A 252 27.077 7.244 -7.130 1.00 0.00 C -ATOM 2004 CD ARG A 252 27.960 6.228 -6.350 1.00 0.00 C -ATOM 2005 NE ARG A 252 28.824 5.410 -7.225 1.00 0.00 N -ATOM 2006 CZ ARG A 252 29.215 4.159 -6.959 1.00 0.00 C -ATOM 2007 NH1 ARG A 252 28.804 3.566 -5.841 1.00 0.00 N -ATOM 2008 NH2 ARG A 252 30.040 3.513 -7.790 1.00 0.00 N -ATOM 2009 N MET A 253 27.546 10.303 -3.918 1.00 0.05 N -ATOM 2010 CA MET A 253 28.601 10.916 -3.136 1.00 0.05 C -ATOM 2011 C MET A 253 28.377 10.739 -1.645 1.00 0.05 C -ATOM 2012 O MET A 253 29.317 10.385 -0.927 1.00 0.05 O -ATOM 2013 CB MET A 253 28.690 12.395 -3.457 1.00 0.05 C -ATOM 2014 CG MET A 253 29.587 13.135 -2.518 1.00 0.05 C -ATOM 2015 SD MET A 253 29.852 14.776 -3.131 1.00 0.05 S -ATOM 2016 CE MET A 253 29.009 15.766 -1.952 1.00 0.05 C -ATOM 2017 N VAL A 254 27.160 11.004 -1.175 1.00 0.00 N -ATOM 2018 CA VAL A 254 26.858 10.859 0.240 1.00 0.00 C -ATOM 2019 C VAL A 254 27.175 9.449 0.655 1.00 0.00 C -ATOM 2020 O VAL A 254 27.499 9.203 1.815 1.00 0.00 O -ATOM 2021 CB VAL A 254 25.382 11.180 0.535 1.00 0.00 C -ATOM 2022 CG1 VAL A 254 25.018 10.767 1.930 1.00 0.00 C -ATOM 2023 CG2 VAL A 254 25.162 12.662 0.410 1.00 0.00 C -ATOM 2024 N ILE A 255 27.109 8.524 -0.294 1.00 0.10 N -ATOM 2025 CA ILE A 255 27.405 7.130 -0.006 1.00 0.10 C -ATOM 2026 C ILE A 255 28.926 6.932 0.025 1.00 0.10 C -ATOM 2027 O ILE A 255 29.426 6.217 0.888 1.00 0.10 O -ATOM 2028 CB ILE A 255 26.727 6.193 -1.058 1.00 0.10 C -ATOM 2029 CG1 ILE A 255 25.199 6.362 -1.004 1.00 0.10 C -ATOM 2030 CG2 ILE A 255 27.072 4.731 -0.785 1.00 0.10 C -ATOM 2031 CD1 ILE A 255 24.448 5.578 -2.093 1.00 0.10 C -ATOM 2032 N ILE A 256 29.661 7.565 -0.888 1.00 0.01 N -ATOM 2033 CA ILE A 256 31.115 7.444 -0.880 1.00 0.01 C -ATOM 2034 C ILE A 256 31.652 8.047 0.398 1.00 0.01 C -ATOM 2035 O ILE A 256 32.559 7.495 0.996 1.00 0.01 O -ATOM 2036 CB ILE A 256 31.740 8.179 -2.066 1.00 0.01 C -ATOM 2037 CG1 ILE A 256 31.471 7.388 -3.335 1.00 0.01 C -ATOM 2038 CG2 ILE A 256 33.246 8.358 -1.844 1.00 0.01 C -ATOM 2039 CD1 ILE A 256 32.159 6.070 -3.337 1.00 0.01 C -ATOM 2040 N MET A 257 31.075 9.174 0.804 1.00 0.28 N -ATOM 2041 CA MET A 257 31.468 9.884 2.018 1.00 0.28 C -ATOM 2042 C MET A 257 31.347 8.999 3.227 1.00 0.28 C -ATOM 2043 O MET A 257 32.082 9.187 4.207 1.00 0.28 O -ATOM 2044 CB MET A 257 30.577 11.102 2.235 1.00 0.28 C -ATOM 2045 CG MET A 257 30.908 12.306 1.401 1.00 0.28 C -ATOM 2046 SD MET A 257 29.728 13.579 1.841 1.00 0.28 S -ATOM 2047 CE MET A 257 30.372 14.233 3.378 1.00 0.28 C -ATOM 2048 N VAL A 258 30.409 8.061 3.179 1.00 0.00 N -ATOM 2049 CA VAL A 258 30.193 7.135 4.286 1.00 0.00 C -ATOM 2050 C VAL A 258 31.281 6.062 4.293 1.00 0.00 C -ATOM 2051 O VAL A 258 31.797 5.710 5.354 1.00 0.00 O -ATOM 2052 CB VAL A 258 28.814 6.467 4.174 1.00 0.00 C -ATOM 2053 CG1 VAL A 258 28.648 5.449 5.281 1.00 0.00 C -ATOM 2054 CG2 VAL A 258 27.718 7.529 4.235 1.00 0.00 C -ATOM 2055 N ILE A 259 31.630 5.546 3.119 1.00 0.03 N -ATOM 2056 CA ILE A 259 32.672 4.529 3.016 1.00 0.03 C -ATOM 2057 C ILE A 259 33.989 5.115 3.486 1.00 0.03 C -ATOM 2058 O ILE A 259 34.750 4.442 4.181 1.00 0.03 O -ATOM 2059 CB ILE A 259 32.835 4.056 1.541 1.00 0.03 C -ATOM 2060 CG1 ILE A 259 31.572 3.331 1.086 1.00 0.03 C -ATOM 2061 CG2 ILE A 259 34.010 3.123 1.399 1.00 0.03 C -ATOM 2062 CD1 ILE A 259 31.193 2.204 2.003 1.00 0.03 C -ATOM 2063 N ALA A 260 34.255 6.365 3.108 1.00 0.02 N -ATOM 2064 CA ALA A 260 35.497 7.036 3.476 1.00 0.02 C -ATOM 2065 C ALA A 260 35.573 7.196 4.972 1.00 0.02 C -ATOM 2066 O ALA A 260 36.650 7.069 5.539 1.00 0.02 O -ATOM 2067 CB ALA A 260 35.600 8.407 2.781 1.00 0.02 C -ATOM 2068 N PHE A 261 34.443 7.463 5.615 1.00 1.64 N -ATOM 2069 CA PHE A 261 34.422 7.635 7.063 1.00 1.64 C -ATOM 2070 C PHE A 261 34.803 6.338 7.774 1.00 1.64 C -ATOM 2071 O PHE A 261 35.666 6.346 8.654 1.00 1.64 O -ATOM 2072 CB PHE A 261 33.028 8.069 7.530 1.00 1.64 C -ATOM 2073 CG PHE A 261 32.941 8.332 9.012 1.00 1.64 C -ATOM 2074 CD1 PHE A 261 33.192 9.604 9.520 1.00 1.64 C -ATOM 2075 CD2 PHE A 261 32.651 7.297 9.905 1.00 1.64 C -ATOM 2076 CE1 PHE A 261 33.157 9.840 10.898 1.00 1.64 C -ATOM 2077 CE2 PHE A 261 32.615 7.518 11.284 1.00 1.64 C -ATOM 2078 CZ PHE A 261 32.867 8.786 11.784 1.00 1.64 C -ATOM 2079 N LEU A 262 34.158 5.240 7.401 1.00 15.63 N -ATOM 2080 CA LEU A 262 34.404 3.942 8.027 1.00 15.63 C -ATOM 2081 C LEU A 262 35.836 3.495 7.867 1.00 15.63 C -ATOM 2082 O LEU A 262 36.436 3.010 8.836 1.00 15.63 O -ATOM 2083 CB LEU A 262 33.462 2.923 7.424 1.00 15.63 C -ATOM 2084 CG LEU A 262 32.027 3.393 7.628 1.00 15.63 C -ATOM 2085 CD1 LEU A 262 31.158 2.787 6.571 1.00 15.63 C -ATOM 2086 CD2 LEU A 262 31.553 3.040 9.022 1.00 15.63 C -ATOM 2087 N ILE A 263 36.375 3.633 6.656 1.00 0.02 N -ATOM 2088 CA ILE A 263 37.760 3.269 6.375 1.00 0.02 C -ATOM 2089 C ILE A 263 38.659 4.009 7.361 1.00 0.02 C -ATOM 2090 O ILE A 263 39.573 3.448 7.963 1.00 0.02 O -ATOM 2091 CB ILE A 263 38.136 3.701 4.956 1.00 0.02 C -ATOM 2092 CG1 ILE A 263 37.361 2.877 3.952 1.00 0.02 C -ATOM 2093 CG2 ILE A 263 39.611 3.555 4.734 1.00 0.02 C -ATOM 2094 CD1 ILE A 263 37.689 3.236 2.544 1.00 0.02 C -ATOM 2095 N CYS A 264 38.345 5.279 7.535 1.00 0.68 N -ATOM 2096 CA CYS A 264 39.088 6.173 8.382 1.00 0.68 C -ATOM 2097 C CYS A 264 38.882 5.909 9.844 1.00 0.68 C -ATOM 2098 O CYS A 264 39.824 6.081 10.595 1.00 0.68 O -ATOM 2099 CB CYS A 264 38.651 7.590 8.067 1.00 0.68 C -ATOM 2100 SG CYS A 264 39.838 8.849 8.435 1.00 0.68 S -ATOM 2101 N TRP A 265 37.697 5.480 10.272 1.00 2.28 N -ATOM 2102 CA TRP A 265 37.491 5.322 11.714 1.00 2.28 C -ATOM 2103 C TRP A 265 37.334 3.916 12.252 1.00 2.28 C -ATOM 2104 O TRP A 265 37.499 3.734 13.472 1.00 2.28 O -ATOM 2105 CB TRP A 265 36.302 6.178 12.158 1.00 2.28 C -ATOM 2106 CG TRP A 265 36.600 7.618 12.005 1.00 2.28 C -ATOM 2107 CD1 TRP A 265 36.220 8.441 10.980 1.00 2.28 C -ATOM 2108 CD2 TRP A 265 37.411 8.406 12.875 1.00 2.28 C -ATOM 2109 NE1 TRP A 265 36.745 9.701 11.159 1.00 2.28 N -ATOM 2110 CE2 TRP A 265 37.480 9.709 12.314 1.00 2.28 C -ATOM 2111 CE3 TRP A 265 38.093 8.142 14.074 1.00 2.28 C -ATOM 2112 CZ2 TRP A 265 38.201 10.743 12.920 1.00 2.28 C -ATOM 2113 CZ3 TRP A 265 38.805 9.159 14.664 1.00 2.28 C -ATOM 2114 CH2 TRP A 265 38.855 10.449 14.089 1.00 2.28 C -ATOM 2115 N LEU A 266 37.030 2.935 11.413 1.00 0.23 N -ATOM 2116 CA LEU A 266 36.858 1.588 11.929 1.00 0.23 C -ATOM 2117 C LEU A 266 38.126 1.071 12.571 1.00 0.23 C -ATOM 2118 O LEU A 266 38.090 0.541 13.670 1.00 0.23 O -ATOM 2119 CB LEU A 266 36.379 0.655 10.820 1.00 0.23 C -ATOM 2120 CG LEU A 266 34.875 0.324 10.837 1.00 0.23 C -ATOM 2121 CD1 LEU A 266 34.118 1.234 11.783 1.00 0.23 C -ATOM 2122 CD2 LEU A 266 34.332 0.443 9.443 1.00 0.23 C -ATOM 2123 N PRO A 267 39.272 1.228 11.912 1.00 0.00 N -ATOM 2124 CA PRO A 267 40.477 0.716 12.563 1.00 0.00 C -ATOM 2125 C PRO A 267 40.749 1.331 13.940 1.00 0.00 C -ATOM 2126 O PRO A 267 41.090 0.617 14.901 1.00 0.00 O -ATOM 2127 CB PRO A 267 41.570 0.993 11.530 1.00 0.00 C -ATOM 2128 CG PRO A 267 40.977 2.066 10.639 1.00 0.00 C -ATOM 2129 CD PRO A 267 39.549 1.698 10.546 1.00 0.00 C -ATOM 2130 N TYR A 268 40.593 2.642 14.050 1.00 0.00 N -ATOM 2131 CA TYR A 268 40.812 3.318 15.320 1.00 0.00 C -ATOM 2132 C TYR A 268 39.838 2.784 16.331 1.00 0.00 C -ATOM 2133 O TYR A 268 40.241 2.234 17.354 1.00 0.00 O -ATOM 2134 CB TYR A 268 40.571 4.818 15.178 1.00 0.00 C -ATOM 2135 CG TYR A 268 40.671 5.531 16.501 1.00 0.00 C -ATOM 2136 CD1 TYR A 268 41.894 5.629 17.154 1.00 0.00 C -ATOM 2137 CD2 TYR A 268 39.533 6.045 17.137 1.00 0.00 C -ATOM 2138 CE1 TYR A 268 41.990 6.206 18.388 1.00 0.00 C -ATOM 2139 CE2 TYR A 268 39.622 6.621 18.376 1.00 0.00 C -ATOM 2140 CZ TYR A 268 40.858 6.698 18.994 1.00 0.00 C -ATOM 2141 OH TYR A 268 40.988 7.267 20.233 1.00 0.00 O -ATOM 2142 N ALA A 269 38.554 2.972 16.040 1.00 0.83 N -ATOM 2143 CA ALA A 269 37.483 2.528 16.911 1.00 0.83 C -ATOM 2144 C ALA A 269 37.695 1.078 17.281 1.00 0.83 C -ATOM 2145 O ALA A 269 37.456 0.697 18.424 1.00 0.83 O -ATOM 2146 CB ALA A 269 36.140 2.712 16.214 1.00 0.83 C -ATOM 2147 N GLY A 270 38.147 0.274 16.327 1.00 0.34 N -ATOM 2148 CA GLY A 270 38.382 -1.136 16.605 1.00 0.34 C -ATOM 2149 C GLY A 270 39.465 -1.386 17.648 1.00 0.34 C -ATOM 2150 O GLY A 270 39.268 -2.126 18.610 1.00 0.34 O -ATOM 2151 N VAL A 271 40.623 -0.760 17.453 1.00 1.21 N -ATOM 2152 CA VAL A 271 41.699 -0.911 18.404 1.00 1.21 C -ATOM 2153 C VAL A 271 41.219 -0.377 19.725 1.00 1.21 C -ATOM 2154 O VAL A 271 41.452 -1.011 20.730 1.00 1.21 O -ATOM 2155 CB VAL A 271 42.942 -0.139 17.974 1.00 1.21 C -ATOM 2156 CG1 VAL A 271 43.997 -0.177 19.079 1.00 1.21 C -ATOM 2157 CG2 VAL A 271 43.483 -0.744 16.705 1.00 1.21 C -ATOM 2158 N ALA A 272 40.524 0.760 19.710 1.00 0.00 N -ATOM 2159 CA ALA A 272 40.018 1.405 20.924 1.00 0.00 C -ATOM 2160 C ALA A 272 39.068 0.497 21.697 1.00 0.00 C -ATOM 2161 O ALA A 272 39.143 0.418 22.933 1.00 0.00 O -ATOM 2162 CB ALA A 272 39.322 2.699 20.564 1.00 0.00 C -ATOM 2163 N PHE A 273 38.176 -0.189 21.000 1.00 1.14 N -ATOM 2164 CA PHE A 273 37.256 -1.052 21.710 1.00 1.14 C -ATOM 2165 C PHE A 273 38.005 -2.212 22.323 1.00 1.14 C -ATOM 2166 O PHE A 273 37.740 -2.602 23.468 1.00 1.14 O -ATOM 2167 CB PHE A 273 36.190 -1.596 20.778 1.00 1.14 C -ATOM 2168 CG PHE A 273 35.111 -2.324 21.500 1.00 1.14 C -ATOM 2169 CD1 PHE A 273 34.190 -1.621 22.280 1.00 1.14 C -ATOM 2170 CD2 PHE A 273 35.062 -3.712 21.478 1.00 1.14 C -ATOM 2171 CE1 PHE A 273 33.236 -2.288 23.034 1.00 1.14 C -ATOM 2172 CE2 PHE A 273 34.116 -4.394 22.224 1.00 1.14 C -ATOM 2173 CZ PHE A 273 33.199 -3.680 23.009 1.00 1.14 C -ATOM 2174 N TYR A 274 38.932 -2.769 21.553 1.00 4.81 N -ATOM 2175 CA TYR A 274 39.743 -3.895 22.002 1.00 4.81 C -ATOM 2176 C TYR A 274 40.352 -3.572 23.340 1.00 4.81 C -ATOM 2177 O TYR A 274 40.076 -4.232 24.333 1.00 4.81 O -ATOM 2178 CB TYR A 274 40.861 -4.156 21.005 1.00 4.81 C -ATOM 2179 CG TYR A 274 41.764 -5.270 21.434 1.00 4.81 C -ATOM 2180 CD1 TYR A 274 41.470 -6.583 21.111 1.00 4.81 C -ATOM 2181 CD2 TYR A 274 42.898 -5.018 22.195 1.00 4.81 C -ATOM 2182 CE1 TYR A 274 42.285 -7.634 21.534 1.00 4.81 C -ATOM 2183 CE2 TYR A 274 43.725 -6.057 22.626 1.00 4.81 C -ATOM 2184 CZ TYR A 274 43.412 -7.368 22.290 1.00 4.81 C -ATOM 2185 OH TYR A 274 44.231 -8.412 22.690 1.00 4.81 O -ATOM 2186 N ILE A 275 41.194 -2.548 23.342 1.00 2.88 N -ATOM 2187 CA ILE A 275 41.889 -2.074 24.528 1.00 2.88 C -ATOM 2188 C ILE A 275 40.926 -1.914 25.670 1.00 2.88 C -ATOM 2189 O ILE A 275 41.246 -2.288 26.793 1.00 2.88 O -ATOM 2190 CB ILE A 275 42.585 -0.709 24.245 1.00 2.88 C -ATOM 2191 CG1 ILE A 275 43.772 -0.925 23.301 1.00 2.88 C -ATOM 2192 CG2 ILE A 275 43.014 -0.048 25.556 1.00 2.88 C -ATOM 2193 CD1 ILE A 275 44.196 0.310 22.557 1.00 2.88 C -ATOM 2194 N PHE A 276 39.752 -1.356 25.396 1.00 0.02 N -ATOM 2195 CA PHE A 276 38.779 -1.147 26.457 1.00 0.02 C -ATOM 2196 C PHE A 276 38.413 -2.486 27.029 1.00 0.02 C -ATOM 2197 O PHE A 276 38.315 -2.659 28.247 1.00 0.02 O -ATOM 2198 CB PHE A 276 37.529 -0.446 25.914 1.00 0.02 C -ATOM 2199 CG PHE A 276 36.482 -0.186 26.962 1.00 0.02 C -ATOM 2200 CD1 PHE A 276 36.734 0.687 28.015 1.00 0.02 C -ATOM 2201 CD2 PHE A 276 35.245 -0.818 26.902 1.00 0.02 C -ATOM 2202 CE1 PHE A 276 35.765 0.927 28.989 1.00 0.02 C -ATOM 2203 CE2 PHE A 276 34.282 -0.577 27.873 1.00 0.02 C -ATOM 2204 CZ PHE A 276 34.544 0.296 28.915 1.00 0.02 C -ATOM 2205 N THR A 277 38.251 -3.448 26.142 1.00 0.31 N -ATOM 2206 CA THR A 277 37.876 -4.775 26.556 1.00 0.31 C -ATOM 2207 C THR A 277 39.092 -5.609 26.926 1.00 0.31 C -ATOM 2208 O THR A 277 38.947 -6.764 27.273 1.00 0.31 O -ATOM 2209 CB THR A 277 37.071 -5.447 25.451 1.00 0.31 C -ATOM 2210 OG1 THR A 277 37.854 -5.508 24.255 1.00 0.31 O -ATOM 2211 CG2 THR A 277 35.812 -4.641 25.181 1.00 0.31 C -ATOM 2212 N HIS A 278 40.289 -5.044 26.861 1.00 0.08 N -ATOM 2213 CA HIS A 278 41.483 -5.804 27.235 1.00 0.08 C -ATOM 2214 C HIS A 278 42.454 -4.871 27.939 1.00 0.08 C -ATOM 2215 O HIS A 278 43.643 -4.848 27.626 1.00 0.08 O -ATOM 2216 CB HIS A 278 42.148 -6.413 25.998 1.00 0.08 C -ATOM 2217 CG HIS A 278 41.332 -7.472 25.326 1.00 0.08 C -ATOM 2218 ND1 HIS A 278 40.135 -7.206 24.696 1.00 0.08 N -ATOM 2219 CD2 HIS A 278 41.537 -8.806 25.193 1.00 0.08 C -ATOM 2220 CE1 HIS A 278 39.639 -8.330 24.205 1.00 0.08 C -ATOM 2221 NE2 HIS A 278 40.470 -9.316 24.493 1.00 0.08 N -ATOM 2222 N GLN A 279 41.941 -4.105 28.890 1.00 0.96 N -ATOM 2223 CA GLN A 279 42.743 -3.146 29.618 1.00 0.96 C -ATOM 2224 C GLN A 279 43.864 -3.871 30.345 1.00 0.96 C -ATOM 2225 O GLN A 279 43.640 -4.936 30.873 1.00 0.96 O -ATOM 2226 CB GLN A 279 41.822 -2.400 30.587 1.00 0.96 C -ATOM 2227 CG GLN A 279 40.492 -2.055 29.930 1.00 0.96 C -ATOM 2228 CD GLN A 279 39.481 -1.432 30.868 1.00 0.96 C -ATOM 2229 OE1 GLN A 279 39.399 -0.207 30.997 1.00 0.96 O -ATOM 2230 NE2 GLN A 279 38.701 -2.275 31.531 1.00 0.96 N -ATOM 2231 N GLY A 280 45.075 -3.323 30.338 1.00 0.08 N -ATOM 2232 CA GLY A 280 46.174 -3.959 31.053 1.00 0.08 C -ATOM 2233 C GLY A 280 46.905 -5.103 30.371 1.00 0.08 C -ATOM 2234 O GLY A 280 47.923 -5.588 30.880 1.00 0.08 O -ATOM 2235 N SER A 281 46.386 -5.540 29.229 1.00 0.13 N -ATOM 2236 CA SER A 281 47.003 -6.617 28.476 1.00 0.13 C -ATOM 2237 C SER A 281 48.261 -6.115 27.827 1.00 0.13 C -ATOM 2238 O SER A 281 48.593 -4.935 27.948 1.00 0.13 O -ATOM 2239 CB SER A 281 46.048 -7.154 27.418 1.00 0.13 C -ATOM 2240 OG SER A 281 45.542 -6.112 26.606 1.00 0.13 O -ATOM 2241 N ASP A 282 48.934 -6.994 27.097 1.00 0.22 N -ATOM 2242 CA ASP A 282 50.206 -6.643 26.508 1.00 0.22 C -ATOM 2243 C ASP A 282 50.185 -6.109 25.075 1.00 0.22 C -ATOM 2244 O ASP A 282 50.551 -6.832 24.154 1.00 0.22 O -ATOM 2245 CB ASP A 282 51.134 -7.851 26.592 1.00 0.22 C -ATOM 2246 CG ASP A 282 52.594 -7.489 26.337 1.00 0.22 C -ATOM 2247 OD1 ASP A 282 52.899 -6.273 26.283 1.00 0.22 O -ATOM 2248 OD2 ASP A 282 53.436 -8.419 26.208 1.00 0.22 O -ATOM 2249 N PHE A 283 49.777 -4.861 24.871 1.00 0.02 N -ATOM 2250 CA PHE A 283 49.839 -4.277 23.535 1.00 0.02 C -ATOM 2251 C PHE A 283 50.973 -3.270 23.555 1.00 0.02 C -ATOM 2252 O PHE A 283 51.353 -2.827 24.633 1.00 0.02 O -ATOM 2253 CB PHE A 283 48.512 -3.604 23.130 1.00 0.02 C -ATOM 2254 CG PHE A 283 47.867 -2.805 24.211 1.00 0.02 C -ATOM 2255 CD1 PHE A 283 46.885 -3.368 25.008 1.00 0.02 C -ATOM 2256 CD2 PHE A 283 48.247 -1.489 24.442 1.00 0.02 C -ATOM 2257 CE1 PHE A 283 46.285 -2.635 26.028 1.00 0.02 C -ATOM 2258 CE2 PHE A 283 47.656 -0.743 25.459 1.00 0.02 C -ATOM 2259 CZ PHE A 283 46.671 -1.319 26.257 1.00 0.02 C -ATOM 2260 N GLY A 284 51.525 -2.911 22.398 1.00 0.30 N -ATOM 2261 CA GLY A 284 52.632 -1.960 22.386 1.00 0.30 C -ATOM 2262 C GLY A 284 52.278 -0.583 21.869 1.00 0.30 C -ATOM 2263 O GLY A 284 51.132 -0.349 21.492 1.00 0.30 O -ATOM 2264 N PRO A 285 53.249 0.348 21.821 1.00 0.00 N -ATOM 2265 CA PRO A 285 53.005 1.717 21.338 1.00 0.00 C -ATOM 2266 C PRO A 285 52.540 1.859 19.889 1.00 0.00 C -ATOM 2267 O PRO A 285 51.765 2.756 19.576 1.00 0.00 O -ATOM 2268 CB PRO A 285 54.348 2.423 21.593 1.00 0.00 C -ATOM 2269 CG PRO A 285 55.334 1.332 21.465 1.00 0.00 C -ATOM 2270 CD PRO A 285 54.661 0.177 22.201 1.00 0.00 C -ATOM 2271 N ILE A 286 52.996 0.976 19.010 1.00 4.36 N -ATOM 2272 CA ILE A 286 52.630 1.068 17.598 1.00 4.36 C -ATOM 2273 C ILE A 286 51.182 0.675 17.402 1.00 4.36 C -ATOM 2274 O ILE A 286 50.502 1.235 16.543 1.00 4.36 O -ATOM 2275 CB ILE A 286 53.541 0.156 16.725 1.00 4.36 C -ATOM 2276 CG1 ILE A 286 55.026 0.364 17.092 1.00 4.36 C -ATOM 2277 CG2 ILE A 286 53.308 0.454 15.256 1.00 4.36 C -ATOM 2278 CD1 ILE A 286 55.574 1.772 16.896 1.00 4.36 C -ATOM 2279 N PHE A 287 50.723 -0.275 18.208 1.00 0.23 N -ATOM 2280 CA PHE A 287 49.361 -0.774 18.140 1.00 0.23 C -ATOM 2281 C PHE A 287 48.375 0.329 17.787 1.00 0.23 C -ATOM 2282 O PHE A 287 47.716 0.250 16.741 1.00 0.23 O -ATOM 2283 CB PHE A 287 48.985 -1.418 19.481 1.00 0.23 C -ATOM 2284 CG PHE A 287 47.660 -2.146 19.470 1.00 0.23 C -ATOM 2285 CD1 PHE A 287 47.263 -2.900 18.367 1.00 0.23 C -ATOM 2286 CD2 PHE A 287 46.846 -2.148 20.600 1.00 0.23 C -ATOM 2287 CE1 PHE A 287 46.081 -3.647 18.397 1.00 0.23 C -ATOM 2288 CE2 PHE A 287 45.665 -2.891 20.644 1.00 0.23 C -ATOM 2289 CZ PHE A 287 45.286 -3.638 19.544 1.00 0.23 C -ATOM 2290 N MET A 288 48.287 1.369 18.611 1.00 0.00 N -ATOM 2291 CA MET A 288 47.308 2.441 18.378 1.00 0.00 C -ATOM 2292 C MET A 288 47.852 3.639 17.604 1.00 0.00 C -ATOM 2293 O MET A 288 47.081 4.466 17.122 1.00 0.00 O -ATOM 2294 CB MET A 288 46.718 2.892 19.721 1.00 0.00 C -ATOM 2295 CG MET A 288 45.702 4.014 19.623 1.00 0.00 C -ATOM 2296 SD MET A 288 44.301 3.691 18.533 1.00 0.00 S -ATOM 2297 CE MET A 288 42.959 3.521 19.732 1.00 0.00 C -ATOM 2298 N THR A 289 49.156 3.747 17.456 1.00 0.11 N -ATOM 2299 CA THR A 289 49.665 4.885 16.726 1.00 0.11 C -ATOM 2300 C THR A 289 49.176 4.855 15.280 1.00 0.11 C -ATOM 2301 O THR A 289 48.738 5.880 14.749 1.00 0.11 O -ATOM 2302 CB THR A 289 51.198 4.906 16.759 1.00 0.11 C -ATOM 2303 OG1 THR A 289 51.637 5.052 18.113 1.00 0.11 O -ATOM 2304 CG2 THR A 289 51.732 6.051 15.941 1.00 0.11 C -ATOM 2305 N ILE A 290 49.220 3.689 14.650 1.00 0.12 N -ATOM 2306 CA ILE A 290 48.832 3.593 13.252 1.00 0.12 C -ATOM 2307 C ILE A 290 47.394 4.019 12.952 1.00 0.12 C -ATOM 2308 O ILE A 290 47.197 4.883 12.112 1.00 0.12 O -ATOM 2309 CB ILE A 290 49.043 2.176 12.703 1.00 0.12 C -ATOM 2310 CG1 ILE A 290 50.435 1.656 13.076 1.00 0.12 C -ATOM 2311 CG2 ILE A 290 48.853 2.206 11.187 1.00 0.12 C -ATOM 2312 CD1 ILE A 290 51.532 2.352 12.374 1.00 0.12 C -ATOM 2313 N PRO A 291 46.379 3.430 13.607 1.00 0.00 N -ATOM 2314 CA PRO A 291 45.019 3.869 13.270 1.00 0.00 C -ATOM 2315 C PRO A 291 44.718 5.255 13.787 1.00 0.00 C -ATOM 2316 O PRO A 291 43.953 5.975 13.170 1.00 0.00 O -ATOM 2317 CB PRO A 291 44.139 2.802 13.915 1.00 0.00 C -ATOM 2318 CG PRO A 291 44.890 2.438 15.107 1.00 0.00 C -ATOM 2319 CD PRO A 291 46.334 2.348 14.606 1.00 0.00 C -ATOM 2320 N ALA A 292 45.324 5.625 14.912 1.00 1.31 N -ATOM 2321 CA ALA A 292 45.124 6.937 15.514 1.00 1.31 C -ATOM 2322 C ALA A 292 45.592 8.020 14.564 1.00 1.31 C -ATOM 2323 O ALA A 292 44.862 8.992 14.332 1.00 1.31 O -ATOM 2324 CB ALA A 292 45.887 7.029 16.820 1.00 1.31 C -ATOM 2325 N PHE A 293 46.797 7.870 14.013 1.00 0.11 N -ATOM 2326 CA PHE A 293 47.332 8.878 13.092 1.00 0.11 C -ATOM 2327 C PHE A 293 46.714 8.764 11.696 1.00 0.11 C -ATOM 2328 O PHE A 293 46.587 9.786 11.031 1.00 0.11 O -ATOM 2329 CB PHE A 293 48.881 8.812 13.022 1.00 0.11 C -ATOM 2330 CG PHE A 293 49.585 9.672 14.071 1.00 0.11 C -ATOM 2331 CD1 PHE A 293 49.547 9.322 15.428 1.00 0.11 C -ATOM 2332 CD2 PHE A 293 50.225 10.870 13.706 1.00 0.11 C -ATOM 2333 CE1 PHE A 293 50.126 10.153 16.400 1.00 0.11 C -ATOM 2334 CE2 PHE A 293 50.804 11.707 14.669 1.00 0.11 C -ATOM 2335 CZ PHE A 293 50.754 11.352 16.014 1.00 0.11 C -ATOM 2336 N PHE A 294 46.326 7.561 11.263 1.00 0.21 N -ATOM 2337 CA PHE A 294 45.732 7.396 9.940 1.00 0.21 C -ATOM 2338 C PHE A 294 44.389 8.078 9.893 1.00 0.21 C -ATOM 2339 O PHE A 294 44.026 8.649 8.875 1.00 0.21 O -ATOM 2340 CB PHE A 294 45.538 5.922 9.598 1.00 0.21 C -ATOM 2341 CG PHE A 294 44.619 5.700 8.433 1.00 0.21 C -ATOM 2342 CD1 PHE A 294 44.939 6.185 7.178 1.00 0.21 C -ATOM 2343 CD2 PHE A 294 43.411 5.053 8.598 1.00 0.21 C -ATOM 2344 CE1 PHE A 294 44.069 6.030 6.101 1.00 0.21 C -ATOM 2345 CE2 PHE A 294 42.530 4.893 7.519 1.00 0.21 C -ATOM 2346 CZ PHE A 294 42.865 5.383 6.275 1.00 0.21 C -ATOM 2347 N ALA A 295 43.659 8.005 11.001 1.00 10.16 N -ATOM 2348 CA ALA A 295 42.330 8.596 11.118 1.00 10.16 C -ATOM 2349 C ALA A 295 42.377 10.104 10.979 1.00 10.16 C -ATOM 2350 O ALA A 295 41.348 10.698 10.651 1.00 10.16 O -ATOM 2351 CB ALA A 295 41.707 8.218 12.446 1.00 10.16 C -ATOM 2352 N LYS A 296 43.538 10.727 11.209 1.00 0.00 N -ATOM 2353 CA LYS A 296 43.652 12.188 11.096 1.00 0.00 C -ATOM 2354 C LYS A 296 43.513 12.639 9.657 1.00 0.00 C -ATOM 2355 O LYS A 296 43.510 13.830 9.428 1.00 0.00 O -ATOM 2356 CB LYS A 296 44.959 12.672 11.641 1.00 0.00 C -ATOM 2357 CG LYS A 296 45.045 12.291 13.101 1.00 0.00 C -ATOM 2358 CD LYS A 296 46.393 12.695 13.669 1.00 0.00 C -ATOM 2359 CE LYS A 296 46.627 12.709 15.174 1.00 0.00 C -ATOM 2360 NZ LYS A 296 45.589 12.484 16.204 1.00 0.00 N -ATOM 2361 N THR A 297 43.430 11.724 8.693 1.00 0.05 N -ATOM 2362 CA THR A 297 43.258 12.147 7.309 1.00 0.05 C -ATOM 2363 C THR A 297 41.806 12.562 7.125 1.00 0.05 C -ATOM 2364 O THR A 297 41.417 13.080 6.070 1.00 0.05 O -ATOM 2365 CB THR A 297 43.636 11.025 6.313 1.00 0.05 C -ATOM 2366 OG1 THR A 297 42.953 9.810 6.657 1.00 0.05 O -ATOM 2367 CG2 THR A 297 45.127 10.805 6.321 1.00 0.05 C -ATOM 2368 N SER A 298 41.021 12.359 8.183 1.00 0.08 N -ATOM 2369 CA SER A 298 39.600 12.706 8.205 1.00 0.08 C -ATOM 2370 C SER A 298 39.404 14.208 8.059 1.00 0.08 C -ATOM 2371 O SER A 298 38.282 14.663 7.779 1.00 0.08 O -ATOM 2372 CB SER A 298 38.982 12.264 9.525 1.00 0.08 C -ATOM 2373 OG SER A 298 39.522 13.012 10.599 1.00 0.08 O -ATOM 2374 N ALA A 299 40.474 14.971 8.263 1.00 0.54 N -ATOM 2375 CA ALA A 299 40.401 16.420 8.162 1.00 0.54 C -ATOM 2376 C ALA A 299 40.595 16.845 6.742 1.00 0.54 C -ATOM 2377 O ALA A 299 40.545 18.049 6.462 1.00 0.54 O -ATOM 2378 CB ALA A 299 41.460 17.078 9.050 1.00 0.54 C -ATOM 2379 N VAL A 300 40.796 15.896 5.823 1.00 0.01 N -ATOM 2380 CA VAL A 300 41.029 16.278 4.428 1.00 0.01 C -ATOM 2381 C VAL A 300 40.230 15.502 3.380 1.00 0.01 C -ATOM 2382 O VAL A 300 39.856 16.088 2.371 1.00 0.01 O -ATOM 2383 CB VAL A 300 42.515 16.138 4.073 1.00 0.01 C -ATOM 2384 CG1 VAL A 300 43.356 16.903 5.048 1.00 0.01 C -ATOM 2385 CG2 VAL A 300 42.916 14.687 4.112 1.00 0.01 C -ATOM 2386 N TYR A 301 39.946 14.224 3.587 1.00 0.00 N -ATOM 2387 CA TYR A 301 39.275 13.498 2.521 1.00 0.00 C -ATOM 2388 C TYR A 301 37.918 14.034 2.166 1.00 0.00 C -ATOM 2389 O TYR A 301 37.562 13.923 1.014 1.00 0.00 O -ATOM 2390 CB TYR A 301 39.196 11.999 2.823 1.00 0.00 C -ATOM 2391 CG TYR A 301 38.142 11.606 3.813 1.00 0.00 C -ATOM 2392 CD1 TYR A 301 36.794 11.573 3.459 1.00 0.00 C -ATOM 2393 CD2 TYR A 301 38.488 11.311 5.121 1.00 0.00 C -ATOM 2394 CE1 TYR A 301 35.813 11.265 4.402 1.00 0.00 C -ATOM 2395 CE2 TYR A 301 37.529 10.998 6.066 1.00 0.00 C -ATOM 2396 CZ TYR A 301 36.192 10.982 5.713 1.00 0.00 C -ATOM 2397 OH TYR A 301 35.260 10.744 6.702 1.00 0.00 O -ATOM 2398 N ASN A 302 37.167 14.622 3.093 1.00 0.00 N -ATOM 2399 CA ASN A 302 35.820 15.105 2.745 1.00 0.00 C -ATOM 2400 C ASN A 302 35.813 16.060 1.561 1.00 0.00 C -ATOM 2401 O ASN A 302 35.075 15.817 0.600 1.00 0.00 O -ATOM 2402 CB ASN A 302 35.138 15.748 3.944 1.00 0.00 C -ATOM 2403 CG ASN A 302 34.535 14.720 4.876 1.00 0.00 C -ATOM 2404 OD1 ASN A 302 34.880 14.645 6.080 1.00 0.00 O -ATOM 2405 ND2 ASN A 302 33.630 13.905 4.332 1.00 0.00 N -ATOM 2406 N PRO A 303 36.606 17.153 1.604 1.00 0.00 N -ATOM 2407 CA PRO A 303 36.655 18.118 0.491 1.00 0.00 C -ATOM 2408 C PRO A 303 37.106 17.498 -0.826 1.00 0.00 C -ATOM 2409 O PRO A 303 36.653 17.916 -1.893 1.00 0.00 O -ATOM 2410 CB PRO A 303 37.646 19.170 0.987 1.00 0.00 C -ATOM 2411 CG PRO A 303 37.463 19.133 2.449 1.00 0.00 C -ATOM 2412 CD PRO A 303 37.382 17.657 2.751 1.00 0.00 C -ATOM 2413 N VAL A 304 37.990 16.509 -0.757 1.00 0.68 N -ATOM 2414 CA VAL A 304 38.475 15.873 -1.970 1.00 0.68 C -ATOM 2415 C VAL A 304 37.340 15.141 -2.654 1.00 0.68 C -ATOM 2416 O VAL A 304 37.148 15.275 -3.856 1.00 0.68 O -ATOM 2417 CB VAL A 304 39.641 14.893 -1.659 1.00 0.68 C -ATOM 2418 CG1 VAL A 304 40.173 14.273 -2.937 1.00 0.68 C -ATOM 2419 CG2 VAL A 304 40.755 15.640 -0.966 1.00 0.68 C -ATOM 2420 N ILE A 305 36.580 14.379 -1.884 1.00 0.00 N -ATOM 2421 CA ILE A 305 35.472 13.616 -2.432 1.00 0.00 C -ATOM 2422 C ILE A 305 34.473 14.568 -3.045 1.00 0.00 C -ATOM 2423 O ILE A 305 33.898 14.300 -4.097 1.00 0.00 O -ATOM 2424 CB ILE A 305 34.794 12.781 -1.323 1.00 0.00 C -ATOM 2425 CG1 ILE A 305 35.799 11.781 -0.742 1.00 0.00 C -ATOM 2426 CG2 ILE A 305 33.610 12.040 -1.884 1.00 0.00 C -ATOM 2427 CD1 ILE A 305 35.222 10.899 0.311 1.00 0.00 C -ATOM 2428 N TYR A 306 34.301 15.701 -2.387 1.00 0.00 N -ATOM 2429 CA TYR A 306 33.358 16.733 -2.786 1.00 0.00 C -ATOM 2430 C TYR A 306 33.724 17.343 -4.130 1.00 0.00 C -ATOM 2431 O TYR A 306 32.904 17.387 -5.036 1.00 0.00 O -ATOM 2432 CB TYR A 306 33.357 17.786 -1.682 1.00 0.00 C -ATOM 2433 CG TYR A 306 32.378 18.934 -1.810 1.00 0.00 C -ATOM 2434 CD1 TYR A 306 31.069 18.738 -2.257 1.00 0.00 C -ATOM 2435 CD2 TYR A 306 32.743 20.210 -1.380 1.00 0.00 C -ATOM 2436 CE1 TYR A 306 30.150 19.800 -2.264 1.00 0.00 C -ATOM 2437 CE2 TYR A 306 31.848 21.265 -1.373 1.00 0.00 C -ATOM 2438 CZ TYR A 306 30.557 21.065 -1.812 1.00 0.00 C -ATOM 2439 OH TYR A 306 29.689 22.139 -1.767 1.00 0.00 O -ATOM 2440 N ILE A 307 34.954 17.811 -4.257 1.00 0.12 N -ATOM 2441 CA ILE A 307 35.397 18.432 -5.484 1.00 0.12 C -ATOM 2442 C ILE A 307 35.446 17.432 -6.633 1.00 0.12 C -ATOM 2443 O ILE A 307 35.173 17.803 -7.781 1.00 0.12 O -ATOM 2444 CB ILE A 307 36.752 19.050 -5.253 1.00 0.12 C -ATOM 2445 CG1 ILE A 307 36.637 19.996 -4.068 1.00 0.12 C -ATOM 2446 CG2 ILE A 307 37.219 19.781 -6.488 1.00 0.12 C -ATOM 2447 CD1 ILE A 307 37.939 20.413 -3.501 1.00 0.12 C -ATOM 2448 N MET A 308 35.767 16.175 -6.348 1.00 0.07 N -ATOM 2449 CA MET A 308 35.831 15.174 -7.407 1.00 0.07 C -ATOM 2450 C MET A 308 34.445 14.653 -7.776 1.00 0.07 C -ATOM 2451 O MET A 308 34.238 14.200 -8.919 1.00 0.07 O -ATOM 2452 CB MET A 308 36.707 13.990 -6.980 1.00 0.07 C -ATOM 2453 CG MET A 308 38.065 14.374 -6.431 1.00 0.07 C -ATOM 2454 SD MET A 308 38.902 15.651 -7.396 1.00 0.07 S -ATOM 2455 CE MET A 308 38.880 14.902 -8.936 1.00 0.07 C -ATOM 2456 N MET A 309 33.499 14.708 -6.838 1.00 0.52 N -ATOM 2457 CA MET A 309 32.157 14.172 -7.101 1.00 0.52 C -ATOM 2458 C MET A 309 31.077 15.249 -7.203 1.00 0.52 C -ATOM 2459 O MET A 309 29.900 14.959 -6.986 1.00 0.52 O -ATOM 2460 CB MET A 309 31.773 13.147 -6.024 1.00 0.52 C -ATOM 2461 CG MET A 309 32.688 11.931 -5.963 1.00 0.52 C -ATOM 2462 SD MET A 309 32.050 10.663 -4.856 1.00 0.52 S -ATOM 2463 CE MET A 309 30.866 9.882 -5.921 1.00 0.52 C -ATOM 2464 N ASN A 310 31.455 16.474 -7.539 1.00 0.00 N -ATOM 2465 CA ASN A 310 30.458 17.511 -7.660 1.00 0.00 C -ATOM 2466 C ASN A 310 30.859 18.472 -8.729 1.00 0.00 C -ATOM 2467 O ASN A 310 31.595 19.425 -8.455 1.00 0.00 O -ATOM 2468 CB ASN A 310 30.307 18.224 -6.348 1.00 0.00 C -ATOM 2469 CG ASN A 310 28.915 18.685 -6.128 1.00 0.00 C -ATOM 2470 OD1 ASN A 310 28.577 19.849 -6.372 1.00 0.00 O -ATOM 2471 ND2 ASN A 310 28.067 17.764 -5.680 1.00 0.00 N -ATOM 2472 N LYS A 311 30.371 18.224 -9.944 1.00 0.15 N -ATOM 2473 CA LYS A 311 30.693 19.042 -11.105 1.00 0.15 C -ATOM 2474 C LYS A 311 30.421 20.504 -10.825 1.00 0.15 C -ATOM 2475 O LYS A 311 31.208 21.347 -11.255 1.00 0.15 O -ATOM 2476 CB LYS A 311 29.879 18.577 -12.320 1.00 0.15 C -ATOM 2477 CG LYS A 311 30.543 18.809 -13.696 1.00 0.15 C -ATOM 2478 CD LYS A 311 31.240 17.531 -14.257 1.00 0.15 C -ATOM 2479 CE LYS A 311 31.672 17.659 -15.744 1.00 0.15 C -ATOM 2480 NZ LYS A 311 32.651 18.760 -15.986 1.00 0.15 N -ATOM 2481 N GLN A 312 29.345 20.815 -10.099 1.00 0.00 N -ATOM 2482 CA GLN A 312 29.012 22.211 -9.821 1.00 0.00 C -ATOM 2483 C GLN A 312 29.961 22.877 -8.862 1.00 0.00 C -ATOM 2484 O GLN A 312 30.321 24.020 -9.094 1.00 0.00 O -ATOM 2485 CB GLN A 312 27.604 22.366 -9.265 1.00 0.00 C -ATOM 2486 CG GLN A 312 27.317 23.836 -8.887 1.00 0.00 C -ATOM 2487 CD GLN A 312 25.913 24.089 -8.310 1.00 0.00 C -ATOM 2488 OE1 GLN A 312 25.533 23.541 -7.262 1.00 0.00 O -ATOM 2489 NE2 GLN A 312 25.143 24.935 -8.991 1.00 0.00 N -ATOM 2490 N PHE A 313 30.348 22.213 -7.777 1.00 0.00 N -ATOM 2491 CA PHE A 313 31.258 22.840 -6.832 1.00 0.00 C -ATOM 2492 C PHE A 313 32.636 22.944 -7.431 1.00 0.00 C -ATOM 2493 O PHE A 313 33.309 23.938 -7.231 1.00 0.00 O -ATOM 2494 CB PHE A 313 31.322 22.043 -5.549 1.00 0.00 C -ATOM 2495 CG PHE A 313 32.146 22.694 -4.503 1.00 0.00 C -ATOM 2496 CD1 PHE A 313 31.658 23.793 -3.810 1.00 0.00 C -ATOM 2497 CD2 PHE A 313 33.438 22.242 -4.239 1.00 0.00 C -ATOM 2498 CE1 PHE A 313 32.444 24.440 -2.866 1.00 0.00 C -ATOM 2499 CE2 PHE A 313 34.238 22.878 -3.296 1.00 0.00 C -ATOM 2500 CZ PHE A 313 33.742 23.980 -2.607 1.00 0.00 C -ATOM 2501 N ARG A 314 33.049 21.912 -8.159 1.00 0.04 N -ATOM 2502 CA ARG A 314 34.356 21.887 -8.811 1.00 0.04 C -ATOM 2503 C ARG A 314 34.483 23.074 -9.754 1.00 0.04 C -ATOM 2504 O ARG A 314 35.515 23.731 -9.806 1.00 0.04 O -ATOM 2505 CB ARG A 314 34.513 20.582 -9.589 1.00 0.04 C -ATOM 2506 CG ARG A 314 35.866 20.396 -10.220 1.00 0.04 C -ATOM 2507 CD ARG A 314 36.034 18.952 -10.647 1.00 0.04 C -ATOM 2508 NE ARG A 314 35.141 18.526 -11.725 1.00 0.04 N -ATOM 2509 CZ ARG A 314 34.273 17.521 -11.623 1.00 0.04 C -ATOM 2510 NH1 ARG A 314 34.155 16.845 -10.487 1.00 0.04 N -ATOM 2511 NH2 ARG A 314 33.564 17.142 -12.676 1.00 0.04 N -ATOM 2512 N ASN A 315 33.414 23.330 -10.493 1.00 0.01 N -ATOM 2513 CA ASN A 315 33.347 24.426 -11.444 1.00 0.01 C -ATOM 2514 C ASN A 315 33.394 25.754 -10.746 1.00 0.01 C -ATOM 2515 O ASN A 315 34.075 26.657 -11.213 1.00 0.01 O -ATOM 2516 CB ASN A 315 32.060 24.327 -12.233 1.00 0.01 C -ATOM 2517 CG ASN A 315 32.256 23.663 -13.544 1.00 0.01 C -ATOM 2518 OD1 ASN A 315 32.756 24.282 -14.477 1.00 0.01 O -ATOM 2519 ND2 ASN A 315 31.890 22.386 -13.633 1.00 0.01 N -ATOM 2520 N CYS A 316 32.653 25.887 -9.650 1.00 0.00 N -ATOM 2521 CA CYS A 316 32.641 27.139 -8.890 1.00 0.00 C -ATOM 2522 C CYS A 316 34.029 27.388 -8.336 1.00 0.00 C -ATOM 2523 O CYS A 316 34.420 28.542 -8.148 1.00 0.00 O -ATOM 2524 CB CYS A 316 31.617 27.089 -7.737 1.00 0.00 C -ATOM 2525 SG CYS A 316 29.919 27.553 -8.199 1.00 0.00 S -ATOM 2526 N MET A 317 34.768 26.311 -8.084 1.00 5.82 N -ATOM 2527 CA MET A 317 36.122 26.409 -7.562 1.00 5.82 C -ATOM 2528 C MET A 317 37.060 26.823 -8.689 1.00 5.82 C -ATOM 2529 O MET A 317 37.882 27.718 -8.503 1.00 5.82 O -ATOM 2530 CB MET A 317 36.547 25.062 -6.994 1.00 5.82 C -ATOM 2531 CG MET A 317 37.944 25.065 -6.417 1.00 5.82 C -ATOM 2532 SD MET A 317 38.527 23.397 -6.188 1.00 5.82 S -ATOM 2533 CE MET A 317 38.980 22.924 -8.005 1.00 5.82 C -ATOM 2534 N VAL A 318 36.941 26.167 -9.844 1.00 0.14 N -ATOM 2535 CA VAL A 318 37.772 26.504 -10.988 1.00 0.14 C -ATOM 2536 C VAL A 318 37.479 27.929 -11.342 1.00 0.14 C -ATOM 2537 O VAL A 318 38.385 28.688 -11.614 1.00 0.14 O -ATOM 2538 CB VAL A 318 37.460 25.640 -12.195 1.00 0.14 C -ATOM 2539 CG1 VAL A 318 38.290 26.080 -13.355 1.00 0.14 C -ATOM 2540 CG2 VAL A 318 37.745 24.206 -11.875 1.00 0.14 C -ATOM 2541 N THR A 319 36.205 28.299 -11.330 1.00 0.06 N -ATOM 2542 CA THR A 319 35.818 29.670 -11.632 1.00 0.06 C -ATOM 2543 C THR A 319 36.507 30.611 -10.667 1.00 0.06 C -ATOM 2544 O THR A 319 37.049 31.616 -11.091 1.00 0.06 O -ATOM 2545 CB THR A 319 34.302 29.857 -11.513 1.00 0.06 C -ATOM 2546 OG1 THR A 319 33.664 29.357 -12.693 1.00 0.06 O -ATOM 2547 CG2 THR A 319 33.965 31.311 -11.330 1.00 0.06 C -ATOM 2548 N THR A 320 36.486 30.280 -9.377 1.00 0.67 N -ATOM 2549 CA THR A 320 37.111 31.102 -8.340 1.00 0.67 C -ATOM 2550 C THR A 320 38.619 31.138 -8.531 1.00 0.67 C -ATOM 2551 O THR A 320 39.179 32.218 -8.667 1.00 0.67 O -ATOM 2552 CB THR A 320 36.794 30.550 -6.928 1.00 0.67 C -ATOM 2553 OG1 THR A 320 35.377 30.532 -6.729 1.00 0.67 O -ATOM 2554 CG2 THR A 320 37.410 31.422 -5.855 1.00 0.67 C -ATOM 2555 N LEU A 321 39.267 29.971 -8.535 1.00 0.02 N -ATOM 2556 CA LEU A 321 40.718 29.891 -8.713 1.00 0.02 C -ATOM 2557 C LEU A 321 41.160 30.667 -9.938 1.00 0.02 C -ATOM 2558 O LEU A 321 42.120 31.424 -9.832 1.00 0.02 O -ATOM 2559 CB LEU A 321 41.178 28.435 -8.847 1.00 0.02 C -ATOM 2560 CG LEU A 321 41.314 27.582 -7.588 1.00 0.02 C -ATOM 2561 CD1 LEU A 321 41.736 26.185 -7.974 1.00 0.02 C -ATOM 2562 CD2 LEU A 321 42.334 28.181 -6.669 1.00 0.02 C -ATOM 2563 N CYS A 322 40.482 30.487 -11.078 1.00 0.04 N -ATOM 2564 CA CYS A 322 40.835 31.190 -12.319 1.00 0.04 C -ATOM 2565 C CYS A 322 40.571 32.661 -12.178 1.00 0.04 C -ATOM 2566 O CYS A 322 40.216 33.310 -13.153 1.00 0.04 O -ATOM 2567 CB CYS A 322 40.095 30.680 -13.558 1.00 0.04 C -ATOM 2568 SG CYS A 322 40.200 28.891 -13.832 1.00 0.04 S -ATOM 2569 N CYS A 323 40.733 33.157 -10.951 1.00 9.17 N -ATOM 2570 CA CYS A 323 40.564 34.565 -10.579 1.00 9.17 C -ATOM 2571 C CYS A 323 39.303 35.137 -11.195 1.00 9.17 C -ATOM 2572 O CYS A 323 38.373 35.452 -10.462 1.00 9.17 O -ATOM 2573 CB CYS A 323 41.787 35.378 -11.000 1.00 9.17 C -ATOM 2574 SG CYS A 323 43.328 34.809 -10.190 1.00 9.17 S -ATOM 2575 N GLY A 324 39.267 35.286 -12.512 1.00 0.12 N -ATOM 2576 CA GLY A 324 38.075 35.806 -13.153 1.00 0.12 C -ATOM 2577 C GLY A 324 36.999 34.739 -13.174 1.00 0.12 C -ATOM 2578 O GLY A 324 36.445 34.393 -12.142 1.00 0.12 O -ATOM 2579 N LYS A 325 36.701 34.215 -14.354 1.00 0.68 N -ATOM 2580 CA LYS A 325 35.694 33.172 -14.481 1.00 0.68 C -ATOM 2581 C LYS A 325 36.211 32.128 -15.437 1.00 0.68 C -ATOM 2582 O LYS A 325 37.259 31.515 -15.173 1.00 0.68 O -ATOM 2583 CB LYS A 325 34.364 33.744 -15.013 1.00 0.68 C -ATOM 2584 CG LYS A 325 33.211 32.729 -15.015 1.00 0.68 C -ATOM 2585 CD LYS A 325 32.142 33.025 -16.055 1.00 0.68 C -ATOM 2586 CE LYS A 325 31.171 31.867 -16.090 1.00 0.68 C -ATOM 2587 NZ LYS A 325 30.294 31.896 -17.263 1.00 0.68 N -ATOM 2588 N ASN A 326 35.494 31.948 -16.548 1.00 3.64 N -ATOM 2589 CA ASN A 326 35.859 30.966 -17.554 1.00 3.64 C -ATOM 2590 C ASN A 326 35.984 29.629 -16.849 1.00 3.64 C -ATOM 2591 O ASN A 326 37.095 29.134 -16.639 1.00 3.64 O -ATOM 2592 CB ASN A 326 37.176 31.381 -18.223 1.00 3.64 C -ATOM 2593 CG ASN A 326 37.681 30.359 -19.216 1.00 3.64 C -ATOM 2594 OD1 ASN A 326 36.927 29.836 -20.045 1.00 3.64 O -ATOM 2595 ND2 ASN A 326 38.974 30.079 -19.150 1.00 3.64 N -ATOM 2596 N PRO A 327 34.836 29.040 -16.446 1.00 0.00 N -ATOM 2597 CA PRO A 327 34.801 27.751 -15.748 1.00 0.00 C -ATOM 2598 C PRO A 327 35.182 26.585 -16.647 1.00 0.00 C -ATOM 2599 O PRO A 327 34.724 25.464 -16.401 1.00 0.00 O -ATOM 2600 CB PRO A 327 33.354 27.667 -15.257 1.00 0.00 C -ATOM 2601 CG PRO A 327 32.602 28.328 -16.363 1.00 0.00 C -ATOM 2602 CD PRO A 327 33.467 29.546 -16.671 1.00 0.00 C -ATOM 2603 N LEU A 328 36.009 26.854 -17.664 1.00 0.00 N -ATOM 2604 CA LEU A 328 36.481 25.848 -18.630 1.00 0.00 C -ATOM 2605 C LEU A 328 35.712 24.543 -18.524 1.00 0.00 C -ATOM 2606 O LEU A 328 34.593 24.452 -19.045 1.00 0.00 O -ATOM 2607 CB LEU A 328 37.974 25.556 -18.431 1.00 0.00 C -ATOM 2608 CG LEU A 328 38.959 26.683 -18.722 1.00 0.00 C -ATOM 2609 CD1 LEU A 328 38.513 27.398 -19.998 1.00 0.00 C -ATOM 2610 CD2 LEU A 328 39.028 27.639 -17.543 1.00 0.00 C -ATOM 2611 N GLY A 329 36.325 23.554 -17.860 1.00 0.02 N -ATOM 2612 CA GLY A 329 35.736 22.234 -17.668 1.00 0.02 C -ATOM 2613 C GLY A 329 34.661 21.866 -18.668 1.00 0.02 C -ATOM 2614 O GLY A 329 34.807 22.040 -19.884 1.00 0.02 O -ATOM 2615 N ASP A 330 33.580 21.314 -18.140 1.00 0.04 N -ATOM 2616 CA ASP A 330 32.422 20.972 -18.943 1.00 0.04 C -ATOM 2617 C ASP A 330 31.262 21.713 -18.301 1.00 0.04 C -ATOM 2618 O ASP A 330 30.115 21.537 -18.711 1.00 0.04 O -ATOM 2619 CB ASP A 330 32.160 19.458 -18.910 1.00 0.04 C -ATOM 2620 CG ASP A 330 33.254 18.660 -19.582 1.00 0.04 C -ATOM 2621 OD1 ASP A 330 33.060 17.443 -19.786 1.00 0.04 O -ATOM 2622 OD2 ASP A 330 34.308 19.246 -19.902 1.00 0.04 O -ATOM 2623 N ASP A 331 31.589 22.571 -17.325 1.00 0.09 N -ATOM 2624 CA ASP A 331 30.606 23.326 -16.527 1.00 0.09 C -ATOM 2625 C ASP A 331 29.782 22.244 -15.803 1.00 0.09 C -ATOM 2626 O ASP A 331 30.336 21.164 -15.521 1.00 0.09 O -ATOM 2627 CB ASP A 331 29.707 24.230 -17.425 1.00 0.09 C -ATOM 2628 CG ASP A 331 29.906 25.761 -17.167 1.00 0.09 C -ATOM 2629 OD1 ASP A 331 29.532 26.273 -16.079 1.00 0.09 O -ATOM 2630 OD2 ASP A 331 30.429 26.459 -18.072 1.00 0.09 O -ATOM 2631 N GLU A 332 28.512 22.508 -15.489 1.00 0.00 N -ATOM 2632 CA GLU A 332 27.659 21.497 -14.849 1.00 0.00 C -ATOM 2633 C GLU A 332 26.561 21.132 -15.857 1.00 0.00 C -ATOM 2634 O GLU A 332 25.743 20.238 -15.597 1.00 0.00 O -ATOM 2635 CB GLU A 332 27.029 22.051 -13.555 1.00 0.00 C -ATOM 2636 CG GLU A 332 26.759 21.014 -12.430 1.00 0.00 C -ATOM 2637 CD GLU A 332 25.518 20.120 -12.639 1.00 0.00 C -ATOM 2638 OE1 GLU A 332 25.547 19.212 -13.496 1.00 0.00 O -ATOM 2639 OE2 GLU A 332 24.507 20.320 -11.931 1.00 0.00 O -ATOM 2640 N ALA A 333 26.571 21.813 -17.011 1.00 0.23 N -ATOM 2641 CA ALA A 333 25.571 21.617 -18.070 1.00 0.23 C -ATOM 2642 C ALA A 333 24.268 22.148 -17.532 1.00 0.23 C -ATOM 2643 O ALA A 333 23.406 22.622 -18.286 1.00 0.23 O -ATOM 2644 CB ALA A 333 25.433 20.131 -18.426 1.00 0.23 C -ATOM 2645 N SER A 334 24.155 22.058 -16.208 1.00 0.08 N -ATOM 2646 CA SER A 334 23.014 22.531 -15.448 1.00 0.08 C -ATOM 2647 C SER A 334 23.439 23.807 -14.700 1.00 0.08 C -ATOM 2648 O SER A 334 24.455 24.425 -15.055 1.00 0.08 O -ATOM 2649 CB SER A 334 22.542 21.437 -14.469 1.00 0.08 C -ATOM 2650 OG SER A 334 22.085 20.277 -15.158 1.00 0.08 O -ATOM 2651 N THR A 335 22.676 24.184 -13.678 1.00 0.40 N -ATOM 2652 CA THR A 335 22.926 25.397 -12.897 1.00 0.40 C -ATOM 2653 C THR A 335 24.411 25.674 -12.639 1.00 0.40 C -ATOM 2654 O THR A 335 25.266 24.788 -12.743 1.00 0.40 O -ATOM 2655 CB THR A 335 22.144 25.360 -11.526 1.00 0.40 C -ATOM 2656 OG1 THR A 335 22.424 24.137 -10.830 1.00 0.40 O -ATOM 2657 CG2 THR A 335 20.631 25.458 -11.757 1.00 0.40 C -ATOM 2658 N THR A 336 24.694 26.932 -12.321 1.00 0.06 N -ATOM 2659 CA THR A 336 26.035 27.407 -12.008 1.00 0.06 C -ATOM 2660 C THR A 336 25.882 28.333 -10.798 1.00 0.06 C -ATOM 2661 O THR A 336 24.785 28.379 -10.245 1.00 0.06 O -ATOM 2662 CB THR A 336 26.639 28.160 -13.227 1.00 0.06 C -ATOM 2663 OG1 THR A 336 25.574 28.650 -14.057 1.00 0.06 O -ATOM 2664 CG2 THR A 336 27.548 27.224 -14.052 1.00 0.06 C -ATOM 2665 N VAL A 337 26.935 29.031 -10.364 1.00 2.06 N -ATOM 2666 CA VAL A 337 26.817 29.941 -9.218 1.00 2.06 C -ATOM 2667 C VAL A 337 28.100 30.654 -8.913 1.00 2.06 C -ATOM 2668 O VAL A 337 29.163 30.150 -9.169 1.00 2.06 O -ATOM 2669 CB VAL A 337 26.356 29.219 -7.942 1.00 2.06 C -ATOM 2670 CG1 VAL A 337 26.965 27.842 -7.856 1.00 2.06 C -ATOM 2671 CG2 VAL A 337 26.749 30.034 -6.732 1.00 2.06 C -ATOM 2672 N SER A 338 27.975 31.842 -8.358 1.00 0.00 N -ATOM 2673 CA SER A 338 29.121 32.627 -8.015 1.00 0.00 C -ATOM 2674 C SER A 338 28.666 33.879 -7.334 1.00 0.00 C -ATOM 2675 O SER A 338 27.669 33.861 -6.603 1.00 0.00 O -ATOM 2676 CB SER A 338 29.886 32.983 -9.260 1.00 0.00 C -ATOM 2677 OG SER A 338 29.890 31.886 -10.125 1.00 0.00 O -ATOM 2678 N LYS A 339 29.378 34.974 -7.594 1.00 0.01 N -ATOM 2679 CA LYS A 339 29.087 36.275 -6.979 1.00 0.01 C -ATOM 2680 C LYS A 339 28.468 37.316 -7.975 1.00 0.01 C -ATOM 2681 O LYS A 339 27.272 37.616 -7.842 1.00 0.01 O -ATOM 2682 CB LYS A 339 30.382 36.821 -6.353 1.00 0.01 C -ATOM 2683 CG LYS A 339 30.197 37.906 -5.284 1.00 0.01 C -ATOM 2684 CD LYS A 339 31.536 38.579 -4.950 1.00 0.01 C -ATOM 2685 CE LYS A 339 32.136 39.250 -6.189 1.00 0.01 C -ATOM 2686 NZ LYS A 339 33.504 39.758 -5.943 1.00 0.01 N -ATOM 2687 N THR A 340 29.242 37.855 -8.933 1.00 0.10 N -ATOM 2688 CA THR A 340 28.720 38.859 -9.890 1.00 0.10 C -ATOM 2689 C THR A 340 28.493 38.294 -11.308 1.00 0.10 C -ATOM 2690 O THR A 340 27.836 38.967 -12.141 1.00 0.10 O -ATOM 2691 CB THR A 340 29.668 40.091 -10.015 1.00 0.10 C -ATOM 2692 OG1 THR A 340 29.128 41.025 -10.969 1.00 0.10 O -ATOM 2693 CG2 THR A 340 31.065 39.649 -10.468 1.00 0.10 C -ATOM 2694 N GLU A 341 29.021 37.095 -11.584 1.00 0.06 N -ATOM 2695 CA GLU A 341 28.869 36.459 -12.904 1.00 0.06 C -ATOM 2696 C GLU A 341 27.427 36.009 -13.134 1.00 0.06 C -ATOM 2697 O GLU A 341 26.484 36.834 -13.076 1.00 0.06 O -ATOM 2698 CB GLU A 341 29.816 35.239 -13.065 1.00 0.06 C -ATOM 2699 CG GLU A 341 29.454 33.984 -12.239 1.00 0.06 C -ATOM 2700 CD GLU A 341 29.787 32.683 -12.959 1.00 0.06 C -ATOM 2701 OE1 GLU A 341 29.342 32.502 -14.109 1.00 0.06 O -ATOM 2702 OE2 GLU A 341 30.488 31.836 -12.380 1.00 0.06 O -ATOM 2703 N THR A 342 27.261 34.708 -13.381 1.00 0.04 N -ATOM 2704 CA THR A 342 25.959 34.127 -13.647 1.00 0.04 C -ATOM 2705 C THR A 342 25.361 33.508 -12.405 1.00 0.04 C -ATOM 2706 O THR A 342 24.849 32.398 -12.462 1.00 0.04 O -ATOM 2707 CB THR A 342 26.054 33.075 -14.756 1.00 0.04 C -ATOM 2708 OG1 THR A 342 24.733 32.751 -15.205 1.00 0.04 O -ATOM 2709 CG2 THR A 342 26.773 31.818 -14.253 1.00 0.04 C -ATOM 2710 N SER A 343 25.429 34.223 -11.285 1.00 0.00 N -ATOM 2711 CA SER A 343 24.839 33.761 -10.030 1.00 0.00 C -ATOM 2712 C SER A 343 23.386 34.238 -10.067 1.00 0.00 C -ATOM 2713 O SER A 343 22.671 34.251 -9.054 1.00 0.00 O -ATOM 2714 CB SER A 343 25.590 34.366 -8.837 1.00 0.00 C -ATOM 2715 OG SER A 343 25.673 33.450 -7.759 1.00 0.00 O -ATOM 2716 N GLN A 344 22.995 34.628 -11.283 1.00 0.00 N -ATOM 2717 CA GLN A 344 21.674 35.126 -11.680 1.00 0.00 C -ATOM 2718 C GLN A 344 20.561 34.171 -11.212 1.00 0.00 C -ATOM 2719 O GLN A 344 20.414 33.099 -11.771 1.00 0.00 O -ATOM 2720 CB GLN A 344 21.679 35.317 -13.235 1.00 0.00 C -ATOM 2721 CG GLN A 344 22.243 34.098 -14.123 1.00 0.00 C -ATOM 2722 CD GLN A 344 22.818 34.489 -15.523 1.00 0.00 C -ATOM 2723 OE1 GLN A 344 23.904 35.031 -15.620 1.00 0.00 O -ATOM 2724 NE2 GLN A 344 22.083 34.199 -16.577 1.00 0.00 N -ATOM 2725 N VAL A 345 19.792 34.554 -10.192 1.00 0.00 N -ATOM 2726 CA VAL A 345 18.710 33.707 -9.658 1.00 0.00 C -ATOM 2727 C VAL A 345 17.825 33.182 -10.774 1.00 0.00 C -ATOM 2728 O VAL A 345 17.412 33.949 -11.632 1.00 0.00 O -ATOM 2729 CB VAL A 345 17.825 34.479 -8.643 1.00 0.00 C -ATOM 2730 CG1 VAL A 345 16.766 33.556 -8.052 1.00 0.00 C -ATOM 2731 CG2 VAL A 345 18.698 35.069 -7.534 1.00 0.00 C -ATOM 2732 N ALA A 346 17.514 31.888 -10.754 1.00 0.01 N -ATOM 2733 CA ALA A 346 16.702 31.296 -11.813 1.00 0.01 C -ATOM 2734 C ALA A 346 15.798 30.182 -11.306 1.00 0.01 C -ATOM 2735 O ALA A 346 15.931 29.045 -11.776 1.00 0.01 O -ATOM 2736 CB ALA A 346 17.613 30.754 -12.905 1.00 0.01 C -ATOM 2737 N PRO A 347 14.880 30.470 -10.353 1.00 0.02 N -ATOM 2738 CA PRO A 347 13.990 29.406 -9.855 1.00 0.02 C -ATOM 2739 C PRO A 347 12.822 29.263 -10.812 1.00 0.02 C -ATOM 2740 O PRO A 347 12.970 28.774 -11.939 1.00 0.02 O -ATOM 2741 CB PRO A 347 13.525 29.932 -8.482 1.00 0.02 C -ATOM 2742 CG PRO A 347 14.470 31.080 -8.159 1.00 0.02 C -ATOM 2743 CD PRO A 347 14.749 31.675 -9.518 1.00 0.02 C -ATOM 2744 N ALA A 348 11.664 29.716 -10.347 1.00 0.00 N -ATOM 2745 CA ALA A 348 10.436 29.683 -11.129 1.00 0.00 C -ATOM 2746 C ALA A 348 9.879 31.115 -11.234 1.00 0.00 C -ATOM 2747 O ALA A 348 10.409 32.002 -10.511 1.00 0.00 O -ATOM 2748 CB ALA A 348 9.412 28.746 -10.453 1.00 0.00 C -ATOM 2749 OXT ALA A 348 8.926 31.344 -12.029 1.00 0.00 O -TER 2750 ALA A 348 -HETATM 2751 C ACE B 0 44.730 -8.996 -33.269 1.00 0.00 C -HETATM 2752 O ACE B 0 45.505 -9.527 -32.467 1.00 0.00 O -HETATM 2753 CH3 ACE B 0 43.647 -9.830 -33.937 1.00 0.00 C -ATOM 2754 N MET B 1 44.765 -7.685 -33.605 1.00 0.01 N -ATOM 2755 CA MET B 1 45.712 -6.713 -33.052 1.00 0.01 C -ATOM 2756 C MET B 1 45.459 -6.536 -31.566 1.00 0.01 C -ATOM 2757 O MET B 1 44.313 -6.384 -31.155 1.00 0.01 O -ATOM 2758 CB MET B 1 45.546 -5.379 -33.774 1.00 0.01 C -ATOM 2759 CG MET B 1 45.831 -5.455 -35.273 1.00 0.01 C -ATOM 2760 SD MET B 1 47.511 -6.037 -35.632 1.00 0.01 S -ATOM 2761 CE MET B 1 48.501 -4.605 -35.222 1.00 0.01 C -ATOM 2762 N ASN B 2 46.518 -6.540 -30.763 1.00 0.34 N -ATOM 2763 CA ASN B 2 46.351 -6.416 -29.319 1.00 0.34 C -ATOM 2764 C ASN B 2 45.939 -5.027 -28.889 1.00 0.34 C -ATOM 2765 O ASN B 2 45.072 -4.911 -28.036 1.00 0.34 O -ATOM 2766 CB ASN B 2 47.615 -6.856 -28.604 1.00 0.34 C -ATOM 2767 CG ASN B 2 47.876 -8.311 -28.797 1.00 0.34 C -ATOM 2768 OD1 ASN B 2 47.003 -9.136 -28.565 1.00 0.34 O -ATOM 2769 ND2 ASN B 2 49.080 -8.633 -29.242 1.00 0.34 N -ATOM 2770 N GLY B 3 46.545 -3.985 -29.442 1.00 0.84 N -ATOM 2771 CA GLY B 3 46.143 -2.649 -29.052 1.00 0.84 C -ATOM 2772 C GLY B 3 45.369 -2.044 -30.200 1.00 0.84 C -ATOM 2773 O GLY B 3 45.068 -2.736 -31.161 1.00 0.84 O -ATOM 2774 N THR B 4 45.034 -0.763 -30.101 1.00 0.22 N -ATOM 2775 CA THR B 4 44.330 -0.069 -31.174 1.00 0.22 C -ATOM 2776 C THR B 4 45.116 1.187 -31.482 1.00 0.22 C -ATOM 2777 O THR B 4 45.115 2.112 -30.704 1.00 0.22 O -ATOM 2778 CB THR B 4 42.887 0.322 -30.775 1.00 0.22 C -ATOM 2779 OG1 THR B 4 42.145 -0.845 -30.412 1.00 0.22 O -ATOM 2780 CG2 THR B 4 42.179 0.982 -31.932 1.00 0.22 C -ATOM 2781 N GLU B 5 45.800 1.218 -32.609 1.00 0.19 N -ATOM 2782 CA GLU B 5 46.589 2.384 -32.970 1.00 0.19 C -ATOM 2783 C GLU B 5 45.788 3.381 -33.791 1.00 0.19 C -ATOM 2784 O GLU B 5 44.992 3.009 -34.623 1.00 0.19 O -ATOM 2785 CB GLU B 5 47.825 1.935 -33.749 1.00 0.19 C -ATOM 2786 CG GLU B 5 48.441 2.996 -34.633 1.00 0.19 C -ATOM 2787 CD GLU B 5 49.674 2.487 -35.357 1.00 0.19 C -ATOM 2788 OE1 GLU B 5 49.723 1.264 -35.658 1.00 0.19 O -ATOM 2789 OE2 GLU B 5 50.578 3.314 -35.635 1.00 0.19 O -ATOM 2790 N GLY B 6 46.001 4.657 -33.526 1.00 2.22 N -ATOM 2791 CA GLY B 6 45.329 5.699 -34.272 1.00 2.22 C -ATOM 2792 C GLY B 6 46.483 6.460 -34.871 1.00 2.22 C -ATOM 2793 O GLY B 6 47.630 6.129 -34.609 1.00 2.22 O -ATOM 2794 N PRO B 7 46.234 7.477 -35.686 1.00 0.82 N -ATOM 2795 CA PRO B 7 47.377 8.208 -36.259 1.00 0.82 C -ATOM 2796 C PRO B 7 47.968 9.120 -35.213 1.00 0.82 C -ATOM 2797 O PRO B 7 49.061 9.684 -35.371 1.00 0.82 O -ATOM 2798 CB PRO B 7 46.732 9.003 -37.387 1.00 0.82 C -ATOM 2799 CG PRO B 7 45.359 9.316 -36.811 1.00 0.82 C -ATOM 2800 CD PRO B 7 44.950 7.991 -36.193 1.00 0.82 C -ATOM 2801 N ASN B 8 47.234 9.202 -34.116 1.00 0.19 N -ATOM 2802 CA ASN B 8 47.531 10.092 -33.024 1.00 0.19 C -ATOM 2803 C ASN B 8 47.774 9.399 -31.690 1.00 0.19 C -ATOM 2804 O ASN B 8 48.218 10.070 -30.749 1.00 0.19 O -ATOM 2805 CB ASN B 8 46.319 10.981 -32.870 1.00 0.19 C -ATOM 2806 CG ASN B 8 46.692 12.350 -32.579 1.00 0.19 C -ATOM 2807 OD1 ASN B 8 45.848 13.197 -32.284 1.00 0.19 O -ATOM 2808 ND2 ASN B 8 47.995 12.613 -32.664 1.00 0.19 N -ATOM 2809 N PHE B 9 47.496 8.097 -31.587 1.00 2.62 N -ATOM 2810 CA PHE B 9 47.592 7.407 -30.298 1.00 2.62 C -ATOM 2811 C PHE B 9 47.815 5.921 -30.442 1.00 2.62 C -ATOM 2812 O PHE B 9 48.139 5.424 -31.516 1.00 2.62 O -ATOM 2813 CB PHE B 9 46.269 7.595 -29.544 1.00 2.62 C -ATOM 2814 CG PHE B 9 45.049 7.307 -30.395 1.00 2.62 C -ATOM 2815 CD1 PHE B 9 44.483 8.304 -31.191 1.00 2.62 C -ATOM 2816 CD2 PHE B 9 44.523 6.019 -30.473 1.00 2.62 C -ATOM 2817 CE1 PHE B 9 43.427 8.023 -32.049 1.00 2.62 C -ATOM 2818 CE2 PHE B 9 43.461 5.726 -31.334 1.00 2.62 C -ATOM 2819 CZ PHE B 9 42.916 6.734 -32.124 1.00 2.62 C -ATOM 2820 N TYR B 10 47.628 5.225 -29.323 1.00 0.43 N -ATOM 2821 CA TYR B 10 47.722 3.780 -29.251 1.00 0.43 C -ATOM 2822 C TYR B 10 47.003 3.349 -27.979 1.00 0.43 C -ATOM 2823 O TYR B 10 47.563 3.431 -26.900 1.00 0.43 O -ATOM 2824 CB TYR B 10 49.185 3.308 -29.237 1.00 0.43 C -ATOM 2825 CG TYR B 10 49.331 1.791 -29.282 1.00 0.43 C -ATOM 2826 CD1 TYR B 10 49.329 1.101 -30.487 1.00 0.43 C -ATOM 2827 CD2 TYR B 10 49.408 1.045 -28.109 1.00 0.43 C -ATOM 2828 CE1 TYR B 10 49.395 -0.307 -30.517 1.00 0.43 C -ATOM 2829 CE2 TYR B 10 49.471 -0.350 -28.133 1.00 0.43 C -ATOM 2830 CZ TYR B 10 49.463 -1.027 -29.337 1.00 0.43 C -ATOM 2831 OH TYR B 10 49.512 -2.413 -29.345 1.00 0.43 O -ATOM 2832 N VAL B 11 45.748 2.931 -28.106 1.00 0.04 N -ATOM 2833 CA VAL B 11 44.980 2.475 -26.954 1.00 0.04 C -ATOM 2834 C VAL B 11 45.362 1.013 -26.663 1.00 0.04 C -ATOM 2835 O VAL B 11 45.189 0.159 -27.525 1.00 0.04 O -ATOM 2836 CB VAL B 11 43.434 2.590 -27.216 1.00 0.04 C -ATOM 2837 CG1 VAL B 11 42.649 2.247 -25.955 1.00 0.04 C -ATOM 2838 CG2 VAL B 11 43.082 3.998 -27.653 1.00 0.04 C -ATOM 2839 N PRO B 12 45.909 0.722 -25.458 1.00 0.00 N -ATOM 2840 CA PRO B 12 46.301 -0.640 -25.090 1.00 0.00 C -ATOM 2841 C PRO B 12 45.042 -1.424 -24.825 1.00 0.00 C -ATOM 2842 O PRO B 12 44.899 -2.021 -23.767 1.00 0.00 O -ATOM 2843 CB PRO B 12 47.120 -0.426 -23.831 1.00 0.00 C -ATOM 2844 CG PRO B 12 46.359 0.663 -23.162 1.00 0.00 C -ATOM 2845 CD PRO B 12 46.094 1.629 -24.309 1.00 0.00 C -ATOM 2846 N PHE B 13 44.130 -1.385 -25.797 1.00 0.43 N -ATOM 2847 CA PHE B 13 42.852 -2.084 -25.739 1.00 0.43 C -ATOM 2848 C PHE B 13 42.453 -2.512 -27.159 1.00 0.43 C -ATOM 2849 O PHE B 13 42.614 -1.733 -28.095 1.00 0.43 O -ATOM 2850 CB PHE B 13 41.787 -1.165 -25.153 1.00 0.43 C -ATOM 2851 CG PHE B 13 40.599 -1.896 -24.639 1.00 0.43 C -ATOM 2852 CD1 PHE B 13 40.638 -2.513 -23.395 1.00 0.43 C -ATOM 2853 CD2 PHE B 13 39.448 -2.001 -25.408 1.00 0.43 C -ATOM 2854 CE1 PHE B 13 39.546 -3.226 -22.921 1.00 0.43 C -ATOM 2855 CE2 PHE B 13 38.349 -2.711 -24.945 1.00 0.43 C -ATOM 2856 CZ PHE B 13 38.399 -3.325 -23.695 1.00 0.43 C -ATOM 2857 N SER B 14 41.937 -3.732 -27.318 1.00 0.01 N -ATOM 2858 CA SER B 14 41.551 -4.239 -28.637 1.00 0.01 C -ATOM 2859 C SER B 14 40.238 -3.677 -29.083 1.00 0.01 C -ATOM 2860 O SER B 14 39.319 -3.513 -28.271 1.00 0.01 O -ATOM 2861 CB SER B 14 41.440 -5.755 -28.623 1.00 0.01 C -ATOM 2862 OG SER B 14 40.789 -6.211 -29.791 1.00 0.01 O -ATOM 2863 N ASN B 15 40.134 -3.397 -30.378 1.00 0.00 N -ATOM 2864 CA ASN B 15 38.901 -2.862 -30.902 1.00 0.00 C -ATOM 2865 C ASN B 15 38.100 -3.949 -31.551 1.00 0.00 C -ATOM 2866 O ASN B 15 37.330 -3.679 -32.483 1.00 0.00 O -ATOM 2867 CB ASN B 15 39.156 -1.744 -31.899 1.00 0.00 C -ATOM 2868 CG ASN B 15 37.972 -0.808 -32.004 1.00 0.00 C -ATOM 2869 OD1 ASN B 15 37.195 -0.682 -31.063 1.00 0.00 O -ATOM 2870 ND2 ASN B 15 37.818 -0.129 -33.126 1.00 0.00 N -ATOM 2871 N LYS B 16 38.273 -5.176 -31.057 1.00 0.29 N -ATOM 2872 CA LYS B 16 37.541 -6.331 -31.572 1.00 0.29 C -ATOM 2873 C LYS B 16 36.061 -6.057 -31.447 1.00 0.29 C -ATOM 2874 O LYS B 16 35.282 -6.370 -32.359 1.00 0.29 O -ATOM 2875 CB LYS B 16 37.886 -7.602 -30.773 1.00 0.29 C -ATOM 2876 CG LYS B 16 37.163 -8.852 -31.303 1.00 0.29 C -ATOM 2877 CD LYS B 16 37.707 -10.170 -30.744 1.00 0.29 C -ATOM 2878 CE LYS B 16 37.041 -11.376 -31.447 1.00 0.29 C -ATOM 2879 NZ LYS B 16 37.572 -12.709 -30.998 1.00 0.29 N -ATOM 2880 N THR B 17 35.684 -5.461 -30.318 1.00 0.33 N -ATOM 2881 CA THR B 17 34.295 -5.135 -30.025 1.00 0.33 C -ATOM 2882 C THR B 17 33.904 -3.772 -30.580 1.00 0.33 C -ATOM 2883 O THR B 17 32.765 -3.383 -30.414 1.00 0.33 O -ATOM 2884 CB THR B 17 34.058 -5.160 -28.500 1.00 0.33 C -ATOM 2885 OG1 THR B 17 34.778 -4.091 -27.881 1.00 0.33 O -ATOM 2886 CG2 THR B 17 34.589 -6.455 -27.913 1.00 0.33 C -ATOM 2887 N GLY B 18 34.832 -3.061 -31.227 1.00 0.01 N -ATOM 2888 CA GLY B 18 34.538 -1.742 -31.787 1.00 0.01 C -ATOM 2889 C GLY B 18 34.239 -0.624 -30.783 1.00 0.01 C -ATOM 2890 O GLY B 18 33.796 0.467 -31.146 1.00 0.01 O -ATOM 2891 N VAL B 19 34.534 -0.886 -29.518 1.00 0.07 N -ATOM 2892 CA VAL B 19 34.265 0.047 -28.435 1.00 0.07 C -ATOM 2893 C VAL B 19 35.420 1.062 -28.185 1.00 0.07 C -ATOM 2894 O VAL B 19 35.251 1.986 -27.390 1.00 0.07 O -ATOM 2895 CB VAL B 19 33.946 -0.774 -27.143 1.00 0.07 C -ATOM 2896 CG1 VAL B 19 35.242 -1.232 -26.453 1.00 0.07 C -ATOM 2897 CG2 VAL B 19 33.070 0.022 -26.227 1.00 0.07 C -ATOM 2898 N VAL B 20 36.558 0.915 -28.848 1.00 0.00 N -ATOM 2899 CA VAL B 20 37.665 1.835 -28.618 1.00 0.00 C -ATOM 2900 C VAL B 20 37.430 3.148 -29.351 1.00 0.00 C -ATOM 2901 O VAL B 20 36.876 3.135 -30.450 1.00 0.00 O -ATOM 2902 CB VAL B 20 39.007 1.205 -29.084 1.00 0.00 C -ATOM 2903 CG1 VAL B 20 40.168 2.149 -28.822 1.00 0.00 C -ATOM 2904 CG2 VAL B 20 39.235 -0.095 -28.353 1.00 0.00 C -ATOM 2905 N ARG B 21 37.832 4.272 -28.747 1.00 1.98 N -ATOM 2906 CA ARG B 21 37.682 5.593 -29.369 1.00 1.98 C -ATOM 2907 C ARG B 21 38.786 6.529 -28.928 1.00 1.98 C -ATOM 2908 O ARG B 21 39.209 6.456 -27.796 1.00 1.98 O -ATOM 2909 CB ARG B 21 36.301 6.148 -29.062 1.00 1.98 C -ATOM 2910 CG ARG B 21 35.247 5.331 -29.803 1.00 1.98 C -ATOM 2911 CD ARG B 21 33.868 5.829 -29.576 1.00 1.98 C -ATOM 2912 NE ARG B 21 33.655 7.124 -30.219 1.00 1.98 N -ATOM 2913 CZ ARG B 21 32.672 7.965 -29.885 1.00 1.98 C -ATOM 2914 NH1 ARG B 21 31.819 7.642 -28.910 1.00 1.98 N -ATOM 2915 NH2 ARG B 21 32.525 9.126 -30.524 1.00 1.98 N -ATOM 2916 N SER B 22 39.247 7.401 -29.822 1.00 1.41 N -ATOM 2917 CA SER B 22 40.367 8.330 -29.565 1.00 1.41 C -ATOM 2918 C SER B 22 40.396 8.912 -28.156 1.00 1.41 C -ATOM 2919 O SER B 22 39.376 9.418 -27.683 1.00 1.41 O -ATOM 2920 CB SER B 22 40.347 9.482 -30.576 1.00 1.41 C -ATOM 2921 OG SER B 22 41.476 10.327 -30.428 1.00 1.41 O -ATOM 2922 N PRO B 23 41.561 8.859 -27.466 1.00 0.01 N -ATOM 2923 CA PRO B 23 41.617 9.424 -26.107 1.00 0.01 C -ATOM 2924 C PRO B 23 41.545 10.940 -26.210 1.00 0.01 C -ATOM 2925 O PRO B 23 41.570 11.652 -25.196 1.00 0.01 O -ATOM 2926 CB PRO B 23 42.954 8.921 -25.572 1.00 0.01 C -ATOM 2927 CG PRO B 23 43.785 8.827 -26.811 1.00 0.01 C -ATOM 2928 CD PRO B 23 42.846 8.233 -27.831 1.00 0.01 C -ATOM 2929 N PHE B 24 41.442 11.418 -27.449 1.00 0.25 N -ATOM 2930 CA PHE B 24 41.347 12.836 -27.752 1.00 0.25 C -ATOM 2931 C PHE B 24 39.917 13.220 -28.079 1.00 0.25 C -ATOM 2932 O PHE B 24 39.629 14.392 -28.202 1.00 0.25 O -ATOM 2933 CB PHE B 24 42.232 13.181 -28.952 1.00 0.25 C -ATOM 2934 CG PHE B 24 43.700 13.109 -28.666 1.00 0.25 C -ATOM 2935 CD1 PHE B 24 44.243 13.790 -27.571 1.00 0.25 C -ATOM 2936 CD2 PHE B 24 44.545 12.342 -29.467 1.00 0.25 C -ATOM 2937 CE1 PHE B 24 45.611 13.705 -27.272 1.00 0.25 C -ATOM 2938 CE2 PHE B 24 45.921 12.249 -29.177 1.00 0.25 C -ATOM 2939 CZ PHE B 24 46.450 12.934 -28.074 1.00 0.25 C -ATOM 2940 N GLU B 25 39.016 12.257 -28.195 1.00 0.01 N -ATOM 2941 CA GLU B 25 37.653 12.593 -28.576 1.00 0.01 C -ATOM 2942 C GLU B 25 36.594 12.042 -27.667 1.00 0.01 C -ATOM 2943 O GLU B 25 35.450 12.418 -27.821 1.00 0.01 O -ATOM 2944 CB GLU B 25 37.387 12.086 -29.998 1.00 0.01 C -ATOM 2945 CG GLU B 25 38.188 12.797 -31.089 1.00 0.01 C -ATOM 2946 CD GLU B 25 38.182 12.072 -32.449 1.00 0.01 C -ATOM 2947 OE1 GLU B 25 37.091 11.829 -33.031 1.00 0.01 O -ATOM 2948 OE2 GLU B 25 39.296 11.756 -32.944 1.00 0.01 O -ATOM 2949 N ALA B 26 36.919 11.162 -26.739 1.00 0.00 N -ATOM 2950 CA ALA B 26 35.850 10.640 -25.911 1.00 0.00 C -ATOM 2951 C ALA B 26 36.392 9.820 -24.767 1.00 0.00 C -ATOM 2952 O ALA B 26 37.473 9.250 -24.874 1.00 0.00 O -ATOM 2953 CB ALA B 26 34.919 9.804 -26.770 1.00 0.00 C -ATOM 2954 N PRO B 27 35.642 9.744 -23.653 1.00 0.16 N -ATOM 2955 CA PRO B 27 36.005 8.996 -22.443 1.00 0.16 C -ATOM 2956 C PRO B 27 36.517 7.582 -22.697 1.00 0.16 C -ATOM 2957 O PRO B 27 36.071 6.925 -23.639 1.00 0.16 O -ATOM 2958 CB PRO B 27 34.711 9.014 -21.636 1.00 0.16 C -ATOM 2959 CG PRO B 27 34.145 10.309 -21.987 1.00 0.16 C -ATOM 2960 CD PRO B 27 34.337 10.396 -23.478 1.00 0.16 C -ATOM 2961 N GLN B 28 37.429 7.123 -21.841 1.00 0.05 N -ATOM 2962 CA GLN B 28 38.027 5.797 -21.960 1.00 0.05 C -ATOM 2963 C GLN B 28 37.519 4.909 -20.863 1.00 0.05 C -ATOM 2964 O GLN B 28 38.254 4.034 -20.393 1.00 0.05 O -ATOM 2965 CB GLN B 28 39.535 5.922 -21.845 1.00 0.05 C -ATOM 2966 CG GLN B 28 40.088 6.914 -22.815 1.00 0.05 C -ATOM 2967 CD GLN B 28 39.907 6.453 -24.238 1.00 0.05 C -ATOM 2968 OE1 GLN B 28 40.504 5.464 -24.653 1.00 0.05 O -ATOM 2969 NE2 GLN B 28 39.074 7.158 -24.994 1.00 0.05 N -ATOM 2970 N TYR B 29 36.268 5.127 -20.471 1.00 0.10 N -ATOM 2971 CA TYR B 29 35.651 4.376 -19.384 1.00 0.10 C -ATOM 2972 C TYR B 29 35.536 2.921 -19.710 1.00 0.10 C -ATOM 2973 O TYR B 29 35.347 2.115 -18.811 1.00 0.10 O -ATOM 2974 CB TYR B 29 34.284 4.983 -19.030 1.00 0.10 C -ATOM 2975 CG TYR B 29 34.412 6.394 -18.471 1.00 0.10 C -ATOM 2976 CD1 TYR B 29 35.405 6.700 -17.534 1.00 0.10 C -ATOM 2977 CD2 TYR B 29 33.578 7.430 -18.891 1.00 0.10 C -ATOM 2978 CE1 TYR B 29 35.572 8.012 -17.028 1.00 0.10 C -ATOM 2979 CE2 TYR B 29 33.738 8.750 -18.388 1.00 0.10 C -ATOM 2980 CZ TYR B 29 34.740 9.028 -17.459 1.00 0.10 C -ATOM 2981 OH TYR B 29 34.944 10.309 -16.970 1.00 0.10 O -ATOM 2982 N TYR B 30 35.669 2.577 -20.982 1.00 0.02 N -ATOM 2983 CA TYR B 30 35.598 1.184 -21.394 1.00 0.02 C -ATOM 2984 C TYR B 30 36.966 0.520 -21.186 1.00 0.02 C -ATOM 2985 O TYR B 30 37.133 -0.635 -21.532 1.00 0.02 O -ATOM 2986 CB TYR B 30 35.181 1.119 -22.860 1.00 0.02 C -ATOM 2987 CG TYR B 30 36.173 1.788 -23.767 1.00 0.02 C -ATOM 2988 CD1 TYR B 30 37.324 1.125 -24.160 1.00 0.02 C -ATOM 2989 CD2 TYR B 30 36.011 3.115 -24.150 1.00 0.02 C -ATOM 2990 CE1 TYR B 30 38.282 1.755 -24.893 1.00 0.02 C -ATOM 2991 CE2 TYR B 30 36.971 3.758 -24.889 1.00 0.02 C -ATOM 2992 CZ TYR B 30 38.103 3.070 -25.249 1.00 0.02 C -ATOM 2993 OH TYR B 30 39.102 3.687 -25.943 1.00 0.02 O -ATOM 2994 N LEU B 31 37.927 1.262 -20.635 1.00 0.00 N -ATOM 2995 CA LEU B 31 39.275 0.763 -20.348 1.00 0.00 C -ATOM 2996 C LEU B 31 39.352 0.402 -18.897 1.00 0.00 C -ATOM 2997 O LEU B 31 40.087 -0.496 -18.503 1.00 0.00 O -ATOM 2998 CB LEU B 31 40.314 1.851 -20.564 1.00 0.00 C -ATOM 2999 CG LEU B 31 40.696 2.241 -21.965 1.00 0.00 C -ATOM 3000 CD1 LEU B 31 41.856 3.182 -21.872 1.00 0.00 C -ATOM 3001 CD2 LEU B 31 41.081 1.009 -22.745 1.00 0.00 C -ATOM 3002 N ALA B 32 38.612 1.154 -18.097 1.00 0.07 N -ATOM 3003 CA ALA B 32 38.586 0.965 -16.665 1.00 0.07 C -ATOM 3004 C ALA B 32 37.346 1.629 -16.116 1.00 0.07 C -ATOM 3005 O ALA B 32 36.728 2.477 -16.780 1.00 0.07 O -ATOM 3006 CB ALA B 32 39.837 1.586 -16.034 1.00 0.07 C -ATOM 3007 N GLU B 33 36.994 1.254 -14.895 1.00 0.10 N -ATOM 3008 CA GLU B 33 35.819 1.780 -14.216 1.00 0.10 C -ATOM 3009 C GLU B 33 35.900 3.285 -14.049 1.00 0.10 C -ATOM 3010 O GLU B 33 36.960 3.819 -13.787 1.00 0.10 O -ATOM 3011 CB GLU B 33 35.704 1.149 -12.829 1.00 0.10 C -ATOM 3012 CG GLU B 33 35.954 -0.352 -12.786 1.00 0.10 C -ATOM 3013 CD GLU B 33 35.006 -1.129 -13.684 1.00 0.10 C -ATOM 3014 OE1 GLU B 33 33.775 -1.002 -13.494 1.00 0.10 O -ATOM 3015 OE2 GLU B 33 35.495 -1.865 -14.577 1.00 0.10 O -ATOM 3016 N PRO B 34 34.768 3.984 -14.195 1.00 0.15 N -ATOM 3017 CA PRO B 34 34.717 5.434 -14.043 1.00 0.15 C -ATOM 3018 C PRO B 34 35.178 5.904 -12.664 1.00 0.15 C -ATOM 3019 O PRO B 34 35.717 7.009 -12.526 1.00 0.15 O -ATOM 3020 CB PRO B 34 33.246 5.735 -14.297 1.00 0.15 C -ATOM 3021 CG PRO B 34 32.915 4.767 -15.370 1.00 0.15 C -ATOM 3022 CD PRO B 34 33.540 3.496 -14.846 1.00 0.15 C -ATOM 3023 N TRP B 35 34.970 5.083 -11.643 1.00 0.04 N -ATOM 3024 CA TRP B 35 35.372 5.486 -10.307 1.00 0.04 C -ATOM 3025 C TRP B 35 36.863 5.496 -10.227 1.00 0.04 C -ATOM 3026 O TRP B 35 37.435 6.212 -9.416 1.00 0.04 O -ATOM 3027 CB TRP B 35 34.806 4.536 -9.262 1.00 0.04 C -ATOM 3028 CG TRP B 35 35.382 3.189 -9.311 1.00 0.04 C -ATOM 3029 CD1 TRP B 35 34.865 2.098 -9.941 1.00 0.04 C -ATOM 3030 CD2 TRP B 35 36.604 2.764 -8.702 1.00 0.04 C -ATOM 3031 NE1 TRP B 35 35.690 1.010 -9.763 1.00 0.04 N -ATOM 3032 CE2 TRP B 35 36.766 1.392 -9.005 1.00 0.04 C -ATOM 3033 CE3 TRP B 35 37.581 3.408 -7.930 1.00 0.04 C -ATOM 3034 CZ2 TRP B 35 37.867 0.654 -8.562 1.00 0.04 C -ATOM 3035 CZ3 TRP B 35 38.681 2.671 -7.488 1.00 0.04 C -ATOM 3036 CH2 TRP B 35 38.812 1.310 -7.808 1.00 0.04 C -ATOM 3037 N GLN B 36 37.488 4.698 -11.079 1.00 7.10 N -ATOM 3038 CA GLN B 36 38.938 4.606 -11.111 1.00 7.10 C -ATOM 3039 C GLN B 36 39.529 5.865 -11.693 1.00 7.10 C -ATOM 3040 O GLN B 36 40.677 6.173 -11.425 1.00 7.10 O -ATOM 3041 CB GLN B 36 39.371 3.396 -11.932 1.00 7.10 C -ATOM 3042 CG GLN B 36 38.973 2.086 -11.314 1.00 7.10 C -ATOM 3043 CD GLN B 36 39.405 0.922 -12.148 1.00 7.10 C -ATOM 3044 OE1 GLN B 36 38.914 0.725 -13.258 1.00 7.10 O -ATOM 3045 NE2 GLN B 36 40.345 0.138 -11.626 1.00 7.10 N -ATOM 3046 N PHE B 37 38.764 6.587 -12.505 1.00 2.31 N -ATOM 3047 CA PHE B 37 39.277 7.832 -13.057 1.00 2.31 C -ATOM 3048 C PHE B 37 39.115 8.899 -12.009 1.00 2.31 C -ATOM 3049 O PHE B 37 39.932 9.821 -11.943 1.00 2.31 O -ATOM 3050 CB PHE B 37 38.531 8.228 -14.329 1.00 2.31 C -ATOM 3051 CG PHE B 37 38.842 7.354 -15.497 1.00 2.31 C -ATOM 3052 CD1 PHE B 37 38.246 6.113 -15.629 1.00 2.31 C -ATOM 3053 CD2 PHE B 37 39.747 7.766 -16.455 1.00 2.31 C -ATOM 3054 CE1 PHE B 37 38.548 5.296 -16.704 1.00 2.31 C -ATOM 3055 CE2 PHE B 37 40.058 6.967 -17.530 1.00 2.31 C -ATOM 3056 CZ PHE B 37 39.462 5.732 -17.662 1.00 2.31 C -ATOM 3057 N SER B 38 38.065 8.774 -11.195 1.00 0.36 N -ATOM 3058 CA SER B 38 37.825 9.731 -10.124 1.00 0.36 C -ATOM 3059 C SER B 38 38.928 9.529 -9.108 1.00 0.36 C -ATOM 3060 O SER B 38 39.354 10.457 -8.428 1.00 0.36 O -ATOM 3061 CB SER B 38 36.439 9.500 -9.507 1.00 0.36 C -ATOM 3062 OG SER B 38 35.529 10.487 -9.969 1.00 0.36 O -ATOM 3063 N MET B 39 39.409 8.299 -9.043 1.00 0.10 N -ATOM 3064 CA MET B 39 40.486 7.946 -8.149 1.00 0.10 C -ATOM 3065 C MET B 39 41.765 8.683 -8.587 1.00 0.10 C -ATOM 3066 O MET B 39 42.388 9.371 -7.766 1.00 0.10 O -ATOM 3067 CB MET B 39 40.690 6.444 -8.226 1.00 0.10 C -ATOM 3068 CG MET B 39 41.014 5.814 -6.925 1.00 0.10 C -ATOM 3069 SD MET B 39 39.751 6.262 -5.751 1.00 0.10 S -ATOM 3070 CE MET B 39 40.574 7.645 -4.838 1.00 0.10 C -ATOM 3071 N LEU B 40 42.146 8.541 -9.867 1.00 1.15 N -ATOM 3072 CA LEU B 40 43.350 9.177 -10.445 1.00 1.15 C -ATOM 3073 C LEU B 40 43.265 10.667 -10.282 1.00 1.15 C -ATOM 3074 O LEU B 40 44.268 11.314 -9.974 1.00 1.15 O -ATOM 3075 CB LEU B 40 43.488 8.850 -11.937 1.00 1.15 C -ATOM 3076 CG LEU B 40 43.889 7.431 -12.345 1.00 1.15 C -ATOM 3077 CD1 LEU B 40 43.981 7.341 -13.848 1.00 1.15 C -ATOM 3078 CD2 LEU B 40 45.212 7.061 -11.733 1.00 1.15 C -ATOM 3079 N ALA B 41 42.064 11.195 -10.498 1.00 0.45 N -ATOM 3080 CA ALA B 41 41.783 12.617 -10.367 1.00 0.45 C -ATOM 3081 C ALA B 41 42.011 13.088 -8.902 1.00 0.45 C -ATOM 3082 O ALA B 41 42.570 14.180 -8.696 1.00 0.45 O -ATOM 3083 CB ALA B 41 40.336 12.888 -10.814 1.00 0.45 C -ATOM 3084 N ALA B 42 41.587 12.294 -7.908 1.00 0.81 N -ATOM 3085 CA ALA B 42 41.764 12.651 -6.496 1.00 0.81 C -ATOM 3086 C ALA B 42 43.238 12.744 -6.187 1.00 0.81 C -ATOM 3087 O ALA B 42 43.673 13.675 -5.526 1.00 0.81 O -ATOM 3088 CB ALA B 42 41.125 11.605 -5.601 1.00 0.81 C -ATOM 3089 N TYR B 43 43.994 11.766 -6.672 1.00 15.20 N -ATOM 3090 CA TYR B 43 45.432 11.677 -6.473 1.00 15.20 C -ATOM 3091 C TYR B 43 46.157 12.917 -6.989 1.00 15.20 C -ATOM 3092 O TYR B 43 47.014 13.462 -6.291 1.00 15.20 O -ATOM 3093 CB TYR B 43 45.921 10.445 -7.205 1.00 15.20 C -ATOM 3094 CG TYR B 43 47.406 10.294 -7.288 1.00 15.20 C -ATOM 3095 CD1 TYR B 43 48.155 9.981 -6.164 1.00 15.20 C -ATOM 3096 CD2 TYR B 43 48.056 10.379 -8.513 1.00 15.20 C -ATOM 3097 CE1 TYR B 43 49.516 9.740 -6.261 1.00 15.20 C -ATOM 3098 CE2 TYR B 43 49.415 10.142 -8.626 1.00 15.20 C -ATOM 3099 CZ TYR B 43 50.137 9.816 -7.500 1.00 15.20 C -ATOM 3100 OH TYR B 43 51.469 9.516 -7.614 1.00 15.20 O -ATOM 3101 N MET B 44 45.824 13.346 -8.203 1.00 0.64 N -ATOM 3102 CA MET B 44 46.449 14.517 -8.820 1.00 0.64 C -ATOM 3103 C MET B 44 46.070 15.790 -8.094 1.00 0.64 C -ATOM 3104 O MET B 44 46.892 16.715 -7.994 1.00 0.64 O -ATOM 3105 CB MET B 44 46.048 14.634 -10.289 1.00 0.64 C -ATOM 3106 CG MET B 44 46.535 13.491 -11.151 1.00 0.64 C -ATOM 3107 SD MET B 44 48.292 13.245 -10.978 1.00 0.64 S -ATOM 3108 CE MET B 44 48.931 14.860 -11.464 1.00 0.64 C -ATOM 3109 N PHE B 45 44.833 15.858 -7.618 1.00 0.10 N -ATOM 3110 CA PHE B 45 44.388 17.018 -6.880 1.00 0.10 C -ATOM 3111 C PHE B 45 45.276 17.170 -5.655 1.00 0.10 C -ATOM 3112 O PHE B 45 45.757 18.265 -5.365 1.00 0.10 O -ATOM 3113 CB PHE B 45 42.949 16.828 -6.448 1.00 0.10 C -ATOM 3114 CG PHE B 45 42.478 17.870 -5.500 1.00 0.10 C -ATOM 3115 CD1 PHE B 45 42.369 19.195 -5.909 1.00 0.10 C -ATOM 3116 CD2 PHE B 45 42.130 17.531 -4.194 1.00 0.10 C -ATOM 3117 CE1 PHE B 45 41.914 20.178 -5.029 1.00 0.10 C -ATOM 3118 CE2 PHE B 45 41.671 18.504 -3.304 1.00 0.10 C -ATOM 3119 CZ PHE B 45 41.561 19.835 -3.723 1.00 0.10 C -ATOM 3120 N LEU B 46 45.483 16.065 -4.942 1.00 0.17 N -ATOM 3121 CA LEU B 46 46.333 16.057 -3.756 1.00 0.17 C -ATOM 3122 C LEU B 46 47.732 16.488 -4.151 1.00 0.17 C -ATOM 3123 O LEU B 46 48.341 17.321 -3.460 1.00 0.17 O -ATOM 3124 CB LEU B 46 46.390 14.659 -3.133 1.00 0.17 C -ATOM 3125 CG LEU B 46 45.116 14.202 -2.433 1.00 0.17 C -ATOM 3126 CD1 LEU B 46 45.346 12.847 -1.813 1.00 0.17 C -ATOM 3127 CD2 LEU B 46 44.720 15.201 -1.375 1.00 0.17 C -ATOM 3128 N LEU B 47 48.239 15.937 -5.255 1.00 1.21 N -ATOM 3129 CA LEU B 47 49.576 16.277 -5.724 1.00 1.21 C -ATOM 3130 C LEU B 47 49.696 17.774 -5.983 1.00 1.21 C -ATOM 3131 O LEU B 47 50.726 18.367 -5.657 1.00 1.21 O -ATOM 3132 CB LEU B 47 49.918 15.481 -6.985 1.00 1.21 C -ATOM 3133 CG LEU B 47 50.426 14.060 -6.732 1.00 1.21 C -ATOM 3134 CD1 LEU B 47 50.854 13.418 -8.031 1.00 1.21 C -ATOM 3135 CD2 LEU B 47 51.610 14.101 -5.801 1.00 1.21 C -ATOM 3136 N ILE B 48 48.652 18.380 -6.541 1.00 0.89 N -ATOM 3137 CA ILE B 48 48.662 19.802 -6.817 1.00 0.89 C -ATOM 3138 C ILE B 48 48.563 20.610 -5.538 1.00 0.89 C -ATOM 3139 O ILE B 48 49.254 21.611 -5.426 1.00 0.89 O -ATOM 3140 CB ILE B 48 47.507 20.184 -7.746 1.00 0.89 C -ATOM 3141 CG1 ILE B 48 47.731 19.550 -9.113 1.00 0.89 C -ATOM 3142 CG2 ILE B 48 47.407 21.688 -7.879 1.00 0.89 C -ATOM 3143 CD1 ILE B 48 46.575 19.755 -10.039 1.00 0.89 C -ATOM 3144 N MET B 49 47.739 20.186 -4.578 1.00 2.83 N -ATOM 3145 CA MET B 49 47.563 20.941 -3.326 1.00 2.83 C -ATOM 3146 C MET B 49 48.722 20.775 -2.339 1.00 2.83 C -ATOM 3147 O MET B 49 48.780 21.489 -1.326 1.00 2.83 O -ATOM 3148 CB MET B 49 46.235 20.567 -2.652 1.00 2.83 C -ATOM 3149 CG MET B 49 45.005 21.068 -3.396 1.00 2.83 C -ATOM 3150 SD MET B 49 44.994 22.855 -3.716 1.00 2.83 S -ATOM 3151 CE MET B 49 44.149 23.469 -2.284 1.00 2.83 C -ATOM 3152 N LEU B 50 49.632 19.850 -2.609 1.00 0.37 N -ATOM 3153 CA LEU B 50 50.774 19.678 -1.729 1.00 0.37 C -ATOM 3154 C LEU B 50 51.995 20.199 -2.437 1.00 0.37 C -ATOM 3155 O LEU B 50 52.706 21.047 -1.908 1.00 0.37 O -ATOM 3156 CB LEU B 50 50.982 18.210 -1.384 1.00 0.37 C -ATOM 3157 CG LEU B 50 51.615 17.931 -0.008 1.00 0.37 C -ATOM 3158 CD1 LEU B 50 51.983 16.468 0.039 1.00 0.37 C -ATOM 3159 CD2 LEU B 50 52.859 18.796 0.253 1.00 0.37 C -ATOM 3160 N GLY B 51 52.234 19.693 -3.640 1.00 0.03 N -ATOM 3161 CA GLY B 51 53.382 20.124 -4.409 1.00 0.03 C -ATOM 3162 C GLY B 51 53.490 21.622 -4.616 1.00 0.03 C -ATOM 3163 O GLY B 51 54.579 22.148 -4.838 1.00 0.03 O -ATOM 3164 N PHE B 52 52.369 22.324 -4.549 1.00 1.08 N -ATOM 3165 CA PHE B 52 52.417 23.761 -4.741 1.00 1.08 C -ATOM 3166 C PHE B 52 52.917 24.471 -3.481 1.00 1.08 C -ATOM 3167 O PHE B 52 53.964 25.112 -3.525 1.00 1.08 O -ATOM 3168 CB PHE B 52 51.044 24.288 -5.172 1.00 1.08 C -ATOM 3169 CG PHE B 52 50.901 25.767 -5.029 1.00 1.08 C -ATOM 3170 CD1 PHE B 52 51.949 26.618 -5.393 1.00 1.08 C -ATOM 3171 CD2 PHE B 52 49.732 26.318 -4.502 1.00 1.08 C -ATOM 3172 CE1 PHE B 52 51.841 28.003 -5.227 1.00 1.08 C -ATOM 3173 CE2 PHE B 52 49.603 27.696 -4.330 1.00 1.08 C -ATOM 3174 CZ PHE B 52 50.663 28.544 -4.691 1.00 1.08 C -ATOM 3175 N PRO B 53 52.199 24.368 -2.350 1.00 0.03 N -ATOM 3176 CA PRO B 53 52.738 25.072 -1.190 1.00 0.03 C -ATOM 3177 C PRO B 53 54.140 24.670 -0.838 1.00 0.03 C -ATOM 3178 O PRO B 53 54.945 25.519 -0.485 1.00 0.03 O -ATOM 3179 CB PRO B 53 51.743 24.726 -0.084 1.00 0.03 C -ATOM 3180 CG PRO B 53 51.215 23.414 -0.499 1.00 0.03 C -ATOM 3181 CD PRO B 53 51.007 23.594 -1.974 1.00 0.03 C -ATOM 3182 N ILE B 54 54.448 23.391 -0.987 1.00 0.28 N -ATOM 3183 CA ILE B 54 55.757 22.868 -0.613 1.00 0.28 C -ATOM 3184 C ILE B 54 56.928 23.299 -1.510 1.00 0.28 C -ATOM 3185 O ILE B 54 58.026 23.421 -1.006 1.00 0.28 O -ATOM 3186 CB ILE B 54 55.715 21.325 -0.519 1.00 0.28 C -ATOM 3187 CG1 ILE B 54 56.746 20.835 0.493 1.00 0.28 C -ATOM 3188 CG2 ILE B 54 56.020 20.711 -1.864 1.00 0.28 C -ATOM 3189 CD1 ILE B 54 56.795 19.328 0.629 1.00 0.28 C -ATOM 3190 N ASN B 55 56.734 23.505 -2.808 1.00 0.00 N -ATOM 3191 CA ASN B 55 57.854 23.917 -3.659 1.00 0.00 C -ATOM 3192 C ASN B 55 57.903 25.410 -3.699 1.00 0.00 C -ATOM 3193 O ASN B 55 58.945 26.001 -3.959 1.00 0.00 O -ATOM 3194 CB ASN B 55 57.695 23.367 -5.073 1.00 0.00 C -ATOM 3195 CG ASN B 55 58.004 21.889 -5.150 1.00 0.00 C -ATOM 3196 OD1 ASN B 55 59.137 21.468 -4.919 1.00 0.00 O -ATOM 3197 ND2 ASN B 55 56.992 21.086 -5.462 1.00 0.00 N -ATOM 3198 N PHE B 56 56.762 26.029 -3.444 1.00 0.05 N -ATOM 3199 CA PHE B 56 56.714 27.465 -3.435 1.00 0.05 C -ATOM 3200 C PHE B 56 57.389 27.943 -2.195 1.00 0.05 C -ATOM 3201 O PHE B 56 58.214 28.842 -2.251 1.00 0.05 O -ATOM 3202 CB PHE B 56 55.291 27.974 -3.407 1.00 0.05 C -ATOM 3203 CG PHE B 56 55.225 29.445 -3.285 1.00 0.05 C -ATOM 3204 CD1 PHE B 56 55.487 30.249 -4.391 1.00 0.05 C -ATOM 3205 CD2 PHE B 56 55.018 30.041 -2.051 1.00 0.05 C -ATOM 3206 CE1 PHE B 56 55.550 31.631 -4.276 1.00 0.05 C -ATOM 3207 CE2 PHE B 56 55.080 31.427 -1.923 1.00 0.05 C -ATOM 3208 CZ PHE B 56 55.349 32.223 -3.043 1.00 0.05 C -ATOM 3209 N LEU B 57 57.005 27.353 -1.068 1.00 0.19 N -ATOM 3210 CA LEU B 57 57.573 27.714 0.213 1.00 0.19 C -ATOM 3211 C LEU B 57 59.060 27.494 0.178 1.00 0.19 C -ATOM 3212 O LEU B 57 59.787 28.269 0.765 1.00 0.19 O -ATOM 3213 CB LEU B 57 56.931 26.892 1.331 1.00 0.19 C -ATOM 3214 CG LEU B 57 57.273 27.218 2.798 1.00 0.19 C -ATOM 3215 CD1 LEU B 57 58.627 26.647 3.139 1.00 0.19 C -ATOM 3216 CD2 LEU B 57 57.229 28.733 3.052 1.00 0.19 C -ATOM 3217 N THR B 58 59.516 26.446 -0.497 1.00 0.00 N -ATOM 3218 CA THR B 58 60.958 26.171 -0.617 1.00 0.00 C -ATOM 3219 C THR B 58 61.610 27.353 -1.329 1.00 0.00 C -ATOM 3220 O THR B 58 62.557 27.968 -0.835 1.00 0.00 O -ATOM 3221 CB THR B 58 61.228 24.913 -1.485 1.00 0.00 C -ATOM 3222 OG1 THR B 58 60.665 23.758 -0.856 1.00 0.00 O -ATOM 3223 CG2 THR B 58 62.722 24.709 -1.691 1.00 0.00 C -ATOM 3224 N LEU B 59 61.084 27.638 -2.512 1.00 0.04 N -ATOM 3225 CA LEU B 59 61.533 28.727 -3.351 1.00 0.04 C -ATOM 3226 C LEU B 59 61.613 30.034 -2.550 1.00 0.04 C -ATOM 3227 O LEU B 59 62.641 30.707 -2.573 1.00 0.04 O -ATOM 3228 CB LEU B 59 60.545 28.839 -4.512 1.00 0.04 C -ATOM 3229 CG LEU B 59 60.359 30.158 -5.238 1.00 0.04 C -ATOM 3230 CD1 LEU B 59 61.696 30.667 -5.709 1.00 0.04 C -ATOM 3231 CD2 LEU B 59 59.420 29.939 -6.408 1.00 0.04 C -ATOM 3232 N TYR B 60 60.546 30.353 -1.826 1.00 5.80 N -ATOM 3233 CA TYR B 60 60.436 31.573 -1.037 1.00 5.80 C -ATOM 3234 C TYR B 60 61.444 31.677 0.109 1.00 5.80 C -ATOM 3235 O TYR B 60 61.977 32.759 0.352 1.00 5.80 O -ATOM 3236 CB TYR B 60 59.020 31.670 -0.497 1.00 5.80 C -ATOM 3237 CG TYR B 60 58.740 32.916 0.277 1.00 5.80 C -ATOM 3238 CD1 TYR B 60 59.324 33.129 1.521 1.00 5.80 C -ATOM 3239 CD2 TYR B 60 57.869 33.874 -0.220 1.00 5.80 C -ATOM 3240 CE1 TYR B 60 59.045 34.261 2.257 1.00 5.80 C -ATOM 3241 CE2 TYR B 60 57.574 35.012 0.501 1.00 5.80 C -ATOM 3242 CZ TYR B 60 58.164 35.206 1.747 1.00 5.80 C -ATOM 3243 OH TYR B 60 57.856 36.335 2.493 1.00 5.80 O -ATOM 3244 N VAL B 61 61.699 30.594 0.829 1.00 0.32 N -ATOM 3245 CA VAL B 61 62.654 30.643 1.945 1.00 0.32 C -ATOM 3246 C VAL B 61 64.049 30.949 1.441 1.00 0.32 C -ATOM 3247 O VAL B 61 64.681 31.875 1.943 1.00 0.32 O -ATOM 3248 CB VAL B 61 62.680 29.298 2.727 1.00 0.32 C -ATOM 3249 CG1 VAL B 61 63.892 29.227 3.660 1.00 0.32 C -ATOM 3250 CG2 VAL B 61 61.394 29.157 3.527 1.00 0.32 C -ATOM 3251 N THR B 62 64.508 30.170 0.458 1.00 0.00 N -ATOM 3252 CA THR B 62 65.838 30.302 -0.146 1.00 0.00 C -ATOM 3253 C THR B 62 66.100 31.718 -0.529 1.00 0.00 C -ATOM 3254 O THR B 62 67.067 32.316 -0.103 1.00 0.00 O -ATOM 3255 CB THR B 62 65.957 29.482 -1.433 1.00 0.00 C -ATOM 3256 OG1 THR B 62 65.457 28.162 -1.211 1.00 0.00 O -ATOM 3257 CG2 THR B 62 67.406 29.397 -1.866 1.00 0.00 C -ATOM 3258 N VAL B 63 65.231 32.239 -1.372 1.00 0.31 N -ATOM 3259 CA VAL B 63 65.348 33.600 -1.835 1.00 0.31 C -ATOM 3260 C VAL B 63 65.381 34.534 -0.649 1.00 0.31 C -ATOM 3261 O VAL B 63 66.231 35.426 -0.585 1.00 0.31 O -ATOM 3262 CB VAL B 63 64.153 33.950 -2.733 1.00 0.31 C -ATOM 3263 CG1 VAL B 63 64.179 35.415 -3.095 1.00 0.31 C -ATOM 3264 CG2 VAL B 63 64.178 33.090 -3.981 1.00 0.31 C -ATOM 3265 N GLN B 64 64.469 34.323 0.293 1.00 0.64 N -ATOM 3266 CA GLN B 64 64.380 35.176 1.468 1.00 0.64 C -ATOM 3267 C GLN B 64 65.614 35.102 2.359 1.00 0.64 C -ATOM 3268 O GLN B 64 66.056 36.127 2.835 1.00 0.64 O -ATOM 3269 CB GLN B 64 63.144 34.823 2.281 1.00 0.64 C -ATOM 3270 CG GLN B 64 63.193 35.418 3.650 1.00 0.64 C -ATOM 3271 CD GLN B 64 61.920 35.212 4.407 1.00 0.64 C -ATOM 3272 OE1 GLN B 64 60.897 35.797 4.080 1.00 0.64 O -ATOM 3273 NE2 GLN B 64 61.970 34.370 5.430 1.00 0.64 N -ATOM 3274 N HIS B 65 66.175 33.918 2.575 1.00 0.13 N -ATOM 3275 CA HIS B 65 67.339 33.792 3.451 1.00 0.13 C -ATOM 3276 C HIS B 65 68.667 33.847 2.721 1.00 0.13 C -ATOM 3277 O HIS B 65 69.145 32.851 2.183 1.00 0.13 O -ATOM 3278 CB HIS B 65 67.200 32.528 4.295 1.00 0.13 C -ATOM 3279 CG HIS B 65 66.081 32.619 5.279 1.00 0.13 C -ATOM 3280 ND1 HIS B 65 66.216 32.257 6.602 1.00 0.13 N -ATOM 3281 CD2 HIS B 65 64.838 33.142 5.156 1.00 0.13 C -ATOM 3282 CE1 HIS B 65 65.105 32.558 7.251 1.00 0.13 C -ATOM 3283 NE2 HIS B 65 64.255 33.098 6.398 1.00 0.13 N -ATOM 3284 N LYS B 66 69.267 35.035 2.772 1.00 0.00 N -ATOM 3285 CA LYS B 66 70.527 35.397 2.120 1.00 0.00 C -ATOM 3286 C LYS B 66 71.682 34.395 2.254 1.00 0.00 C -ATOM 3287 O LYS B 66 72.562 34.429 1.410 1.00 0.00 O -ATOM 3288 CB LYS B 66 70.957 36.779 2.624 1.00 0.00 C -ATOM 3289 CG LYS B 66 72.234 37.337 2.002 1.00 0.00 C -ATOM 3290 CD LYS B 66 72.667 38.637 2.715 1.00 0.00 C -ATOM 3291 CE LYS B 66 74.106 39.030 2.384 1.00 0.00 C -ATOM 3292 NZ LYS B 66 74.509 40.284 3.080 1.00 0.00 N -ATOM 3293 N LYS B 67 71.712 33.524 3.256 1.00 1.32 N -ATOM 3294 CA LYS B 67 72.842 32.585 3.349 1.00 1.32 C -ATOM 3295 C LYS B 67 72.596 31.339 2.543 1.00 1.32 C -ATOM 3296 O LYS B 67 73.550 30.684 2.133 1.00 1.32 O -ATOM 3297 CB LYS B 67 73.115 32.131 4.782 1.00 1.32 C -ATOM 3298 CG LYS B 67 72.228 30.979 5.234 1.00 1.32 C -ATOM 3299 CD LYS B 67 72.682 30.326 6.543 1.00 1.32 C -ATOM 3300 CE LYS B 67 71.730 29.166 6.895 1.00 1.32 C -ATOM 3301 NZ LYS B 67 72.010 28.458 8.182 1.00 1.32 N -ATOM 3302 N LEU B 68 71.334 30.976 2.354 1.00 0.00 N -ATOM 3303 CA LEU B 68 71.014 29.775 1.593 1.00 0.00 C -ATOM 3304 C LEU B 68 71.421 30.013 0.142 1.00 0.00 C -ATOM 3305 O LEU B 68 70.606 30.376 -0.705 1.00 0.00 O -ATOM 3306 CB LEU B 68 69.518 29.467 1.756 1.00 0.00 C -ATOM 3307 CG LEU B 68 69.159 29.284 3.235 1.00 0.00 C -ATOM 3308 CD1 LEU B 68 67.678 29.421 3.447 1.00 0.00 C -ATOM 3309 CD2 LEU B 68 69.667 27.940 3.711 1.00 0.00 C -ATOM 3310 N ARG B 69 72.703 29.822 -0.132 1.00 0.03 N -ATOM 3311 CA ARG B 69 73.207 30.055 -1.464 1.00 0.03 C -ATOM 3312 C ARG B 69 74.337 29.118 -1.776 1.00 0.03 C -ATOM 3313 O ARG B 69 75.179 29.470 -2.577 1.00 0.03 O -ATOM 3314 CB ARG B 69 73.694 31.493 -1.583 1.00 0.03 C -ATOM 3315 CG ARG B 69 72.647 32.550 -1.268 1.00 0.03 C -ATOM 3316 CD ARG B 69 71.851 32.893 -2.501 1.00 0.03 C -ATOM 3317 NE ARG B 69 70.828 33.912 -2.270 1.00 0.03 N -ATOM 3318 CZ ARG B 69 69.810 33.778 -1.427 1.00 0.03 C -ATOM 3319 NH1 ARG B 69 69.679 32.665 -0.719 1.00 0.03 N -ATOM 3320 NH2 ARG B 69 68.909 34.747 -1.315 1.00 0.03 N -ATOM 3321 N THR B 70 74.386 27.949 -1.142 1.00 8.86 N -ATOM 3322 CA THR B 70 75.441 26.980 -1.449 1.00 8.86 C -ATOM 3323 C THR B 70 75.014 26.232 -2.716 1.00 8.86 C -ATOM 3324 O THR B 70 73.895 26.444 -3.184 1.00 8.86 O -ATOM 3325 CB THR B 70 75.651 25.978 -0.285 1.00 8.86 C -ATOM 3326 OG1 THR B 70 74.535 25.078 -0.192 1.00 8.86 O -ATOM 3327 CG2 THR B 70 75.786 26.730 1.022 1.00 8.86 C -ATOM 3328 N PRO B 71 75.880 25.368 -3.295 1.00 0.19 N -ATOM 3329 CA PRO B 71 75.413 24.686 -4.508 1.00 0.19 C -ATOM 3330 C PRO B 71 74.108 23.980 -4.248 1.00 0.19 C -ATOM 3331 O PRO B 71 73.126 24.226 -4.948 1.00 0.19 O -ATOM 3332 CB PRO B 71 76.556 23.720 -4.828 1.00 0.19 C -ATOM 3333 CG PRO B 71 77.758 24.452 -4.327 1.00 0.19 C -ATOM 3334 CD PRO B 71 77.262 24.959 -2.978 1.00 0.19 C -ATOM 3335 N LEU B 72 74.096 23.127 -3.230 1.00 0.00 N -ATOM 3336 CA LEU B 72 72.897 22.389 -2.876 1.00 0.00 C -ATOM 3337 C LEU B 72 71.726 23.338 -2.834 1.00 0.00 C -ATOM 3338 O LEU B 72 70.698 23.030 -3.417 1.00 0.00 O -ATOM 3339 CB LEU B 72 73.072 21.709 -1.518 1.00 0.00 C -ATOM 3340 CG LEU B 72 71.959 20.767 -1.068 1.00 0.00 C -ATOM 3341 CD1 LEU B 72 71.819 19.631 -2.075 1.00 0.00 C -ATOM 3342 CD2 LEU B 72 72.287 20.231 0.321 1.00 0.00 C -ATOM 3343 N ASN B 73 71.877 24.488 -2.174 1.00 0.00 N -ATOM 3344 CA ASN B 73 70.774 25.454 -2.082 1.00 0.00 C -ATOM 3345 C ASN B 73 70.333 25.856 -3.473 1.00 0.00 C -ATOM 3346 O ASN B 73 69.160 26.152 -3.684 1.00 0.00 O -ATOM 3347 CB ASN B 73 71.180 26.722 -1.297 1.00 0.00 C -ATOM 3348 CG ASN B 73 71.649 26.423 0.137 1.00 0.00 C -ATOM 3349 OD1 ASN B 73 71.261 25.426 0.751 1.00 0.00 O -ATOM 3350 ND2 ASN B 73 72.478 27.316 0.678 1.00 0.00 N -ATOM 3351 N TYR B 74 71.273 25.854 -4.414 1.00 0.00 N -ATOM 3352 CA TYR B 74 71.008 26.242 -5.793 1.00 0.00 C -ATOM 3353 C TYR B 74 70.244 25.182 -6.527 1.00 0.00 C -ATOM 3354 O TYR B 74 69.306 25.483 -7.252 1.00 0.00 O -ATOM 3355 CB TYR B 74 72.324 26.527 -6.508 1.00 0.00 C -ATOM 3356 CG TYR B 74 72.743 27.964 -6.366 1.00 0.00 C -ATOM 3357 CD1 TYR B 74 72.231 28.936 -7.219 1.00 0.00 C -ATOM 3358 CD2 TYR B 74 73.591 28.371 -5.337 1.00 0.00 C -ATOM 3359 CE1 TYR B 74 72.545 30.274 -7.059 1.00 0.00 C -ATOM 3360 CE2 TYR B 74 73.912 29.713 -5.165 1.00 0.00 C -ATOM 3361 CZ TYR B 74 73.382 30.661 -6.032 1.00 0.00 C -ATOM 3362 OH TYR B 74 73.675 31.999 -5.877 1.00 0.00 O -ATOM 3363 N ILE B 75 70.637 23.936 -6.345 1.00 0.12 N -ATOM 3364 CA ILE B 75 69.967 22.851 -7.025 1.00 0.12 C -ATOM 3365 C ILE B 75 68.519 22.719 -6.539 1.00 0.12 C -ATOM 3366 O ILE B 75 67.599 22.659 -7.364 1.00 0.12 O -ATOM 3367 CB ILE B 75 70.772 21.522 -6.826 1.00 0.12 C -ATOM 3368 CG1 ILE B 75 72.087 21.593 -7.627 1.00 0.12 C -ATOM 3369 CG2 ILE B 75 69.936 20.311 -7.224 1.00 0.12 C -ATOM 3370 CD1 ILE B 75 71.947 21.724 -9.155 1.00 0.12 C -ATOM 3371 N LEU B 76 68.300 22.715 -5.226 1.00 0.01 N -ATOM 3372 CA LEU B 76 66.946 22.544 -4.719 1.00 0.01 C -ATOM 3373 C LEU B 76 66.019 23.713 -5.036 1.00 0.01 C -ATOM 3374 O LEU B 76 64.802 23.527 -4.999 1.00 0.01 O -ATOM 3375 CB LEU B 76 66.956 22.166 -3.229 1.00 0.01 C -ATOM 3376 CG LEU B 76 67.191 20.642 -3.190 1.00 0.01 C -ATOM 3377 CD1 LEU B 76 68.670 20.317 -3.174 1.00 0.01 C -ATOM 3378 CD2 LEU B 76 66.525 20.040 -1.997 1.00 0.01 C -ATOM 3379 N LEU B 77 66.525 24.898 -5.360 1.00 0.78 N -ATOM 3380 CA LEU B 77 65.568 25.936 -5.731 1.00 0.78 C -ATOM 3381 C LEU B 77 65.118 25.555 -7.133 1.00 0.78 C -ATOM 3382 O LEU B 77 63.928 25.654 -7.484 1.00 0.78 O -ATOM 3383 CB LEU B 77 66.204 27.330 -5.740 1.00 0.78 C -ATOM 3384 CG LEU B 77 65.211 28.400 -6.227 1.00 0.78 C -ATOM 3385 CD1 LEU B 77 64.056 28.532 -5.250 1.00 0.78 C -ATOM 3386 CD2 LEU B 77 65.898 29.730 -6.385 1.00 0.78 C -ATOM 3387 N ASN B 78 66.096 25.095 -7.917 1.00 0.00 N -ATOM 3388 CA ASN B 78 65.888 24.648 -9.290 1.00 0.00 C -ATOM 3389 C ASN B 78 64.725 23.702 -9.208 1.00 0.00 C -ATOM 3390 O ASN B 78 63.634 24.022 -9.673 1.00 0.00 O -ATOM 3391 CB ASN B 78 67.158 23.927 -9.788 1.00 0.00 C -ATOM 3392 CG ASN B 78 67.359 24.032 -11.296 1.00 0.00 C -ATOM 3393 OD1 ASN B 78 66.862 24.950 -11.938 1.00 0.00 O -ATOM 3394 ND2 ASN B 78 68.118 23.094 -11.857 1.00 0.00 N -ATOM 3395 N LEU B 79 64.953 22.568 -8.559 1.00 0.00 N -ATOM 3396 CA LEU B 79 63.929 21.564 -8.365 1.00 0.00 C -ATOM 3397 C LEU B 79 62.645 22.202 -7.911 1.00 0.00 C -ATOM 3398 O LEU B 79 61.597 21.867 -8.443 1.00 0.00 O -ATOM 3399 CB LEU B 79 64.399 20.555 -7.333 1.00 0.00 C -ATOM 3400 CG LEU B 79 65.421 19.535 -7.844 1.00 0.00 C -ATOM 3401 CD1 LEU B 79 66.486 20.220 -8.664 1.00 0.00 C -ATOM 3402 CD2 LEU B 79 66.037 18.812 -6.671 1.00 0.00 C -ATOM 3403 N ALA B 80 62.706 23.113 -6.946 1.00 0.01 N -ATOM 3404 CA ALA B 80 61.495 23.769 -6.466 1.00 0.01 C -ATOM 3405 C ALA B 80 60.809 24.436 -7.629 1.00 0.01 C -ATOM 3406 O ALA B 80 59.586 24.398 -7.700 1.00 0.01 O -ATOM 3407 CB ALA B 80 61.828 24.801 -5.392 1.00 0.01 C -ATOM 3408 N VAL B 81 61.584 25.030 -8.536 1.00 3.81 N -ATOM 3409 CA VAL B 81 61.029 25.714 -9.714 1.00 3.81 C -ATOM 3410 C VAL B 81 60.579 24.737 -10.799 1.00 3.81 C -ATOM 3411 O VAL B 81 59.611 24.989 -11.497 1.00 3.81 O -ATOM 3412 CB VAL B 81 62.053 26.676 -10.344 1.00 3.81 C -ATOM 3413 CG1 VAL B 81 61.572 27.134 -11.704 1.00 3.81 C -ATOM 3414 CG2 VAL B 81 62.231 27.867 -9.466 1.00 3.81 C -ATOM 3415 N ALA B 82 61.301 23.646 -10.970 1.00 0.10 N -ATOM 3416 CA ALA B 82 60.922 22.675 -11.968 1.00 0.10 C -ATOM 3417 C ALA B 82 59.637 22.000 -11.486 1.00 0.10 C -ATOM 3418 O ALA B 82 58.757 21.652 -12.293 1.00 0.10 O -ATOM 3419 CB ALA B 82 62.048 21.654 -12.134 1.00 0.10 C -ATOM 3420 N ASP B 83 59.521 21.851 -10.169 1.00 0.00 N -ATOM 3421 CA ASP B 83 58.362 21.202 -9.581 1.00 0.00 C -ATOM 3422 C ASP B 83 57.132 22.061 -9.726 1.00 0.00 C -ATOM 3423 O ASP B 83 56.035 21.537 -9.941 1.00 0.00 O -ATOM 3424 CB ASP B 83 58.611 20.907 -8.109 1.00 0.00 C -ATOM 3425 CG ASP B 83 59.601 19.787 -7.904 1.00 0.00 C -ATOM 3426 OD1 ASP B 83 60.020 19.152 -8.901 1.00 0.00 O -ATOM 3427 OD2 ASP B 83 59.955 19.542 -6.734 1.00 0.00 O -ATOM 3428 N LEU B 84 57.291 23.370 -9.608 1.00 0.00 N -ATOM 3429 CA LEU B 84 56.151 24.258 -9.744 1.00 0.00 C -ATOM 3430 C LEU B 84 55.631 24.226 -11.180 1.00 0.00 C -ATOM 3431 O LEU B 84 54.460 24.508 -11.416 1.00 0.00 O -ATOM 3432 CB LEU B 84 56.544 25.674 -9.327 1.00 0.00 C -ATOM 3433 CG LEU B 84 56.776 25.860 -7.823 1.00 0.00 C -ATOM 3434 CD1 LEU B 84 57.380 27.236 -7.592 1.00 0.00 C -ATOM 3435 CD2 LEU B 84 55.459 25.685 -7.052 1.00 0.00 C -ATOM 3436 N PHE B 85 56.492 23.889 -12.137 1.00 0.02 N -ATOM 3437 CA PHE B 85 56.064 23.789 -13.533 1.00 0.02 C -ATOM 3438 C PHE B 85 55.271 22.522 -13.732 1.00 0.02 C -ATOM 3439 O PHE B 85 54.204 22.558 -14.351 1.00 0.02 O -ATOM 3440 CB PHE B 85 57.256 23.788 -14.480 1.00 0.02 C -ATOM 3441 CG PHE B 85 57.716 25.148 -14.826 1.00 0.02 C -ATOM 3442 CD1 PHE B 85 56.831 26.048 -15.411 1.00 0.02 C -ATOM 3443 CD2 PHE B 85 59.019 25.548 -14.552 1.00 0.02 C -ATOM 3444 CE1 PHE B 85 57.240 27.341 -15.717 1.00 0.02 C -ATOM 3445 CE2 PHE B 85 59.444 26.835 -14.852 1.00 0.02 C -ATOM 3446 CZ PHE B 85 58.554 27.740 -15.438 1.00 0.02 C -ATOM 3447 N MET B 86 55.786 21.405 -13.231 1.00 4.69 N -ATOM 3448 CA MET B 86 55.062 20.154 -13.348 1.00 4.69 C -ATOM 3449 C MET B 86 53.657 20.393 -12.859 1.00 4.69 C -ATOM 3450 O MET B 86 52.716 20.196 -13.606 1.00 4.69 O -ATOM 3451 CB MET B 86 55.708 19.075 -12.481 1.00 4.69 C -ATOM 3452 CG MET B 86 57.158 18.783 -12.808 1.00 4.69 C -ATOM 3453 SD MET B 86 57.787 17.414 -11.823 1.00 4.69 S -ATOM 3454 CE MET B 86 57.243 16.022 -12.752 1.00 4.69 C -ATOM 3455 N VAL B 87 53.539 20.852 -11.615 1.00 0.01 N -ATOM 3456 CA VAL B 87 52.253 21.099 -10.974 1.00 0.01 C -ATOM 3457 C VAL B 87 51.309 21.976 -11.802 1.00 0.01 C -ATOM 3458 O VAL B 87 50.184 21.550 -12.117 1.00 0.01 O -ATOM 3459 CB VAL B 87 52.461 21.733 -9.586 1.00 0.01 C -ATOM 3460 CG1 VAL B 87 51.145 22.208 -9.020 1.00 0.01 C -ATOM 3461 CG2 VAL B 87 53.079 20.719 -8.653 1.00 0.01 C -ATOM 3462 N PHE B 88 51.749 23.181 -12.155 1.00 0.20 N -ATOM 3463 CA PHE B 88 50.905 24.116 -12.907 1.00 0.20 C -ATOM 3464 C PHE B 88 50.934 23.851 -14.380 1.00 0.20 C -ATOM 3465 O PHE B 88 49.897 23.896 -15.008 1.00 0.20 O -ATOM 3466 CB PHE B 88 51.339 25.563 -12.626 1.00 0.20 C -ATOM 3467 CG PHE B 88 51.028 26.028 -11.224 1.00 0.20 C -ATOM 3468 CD1 PHE B 88 49.712 26.259 -10.831 1.00 0.20 C -ATOM 3469 CD2 PHE B 88 52.044 26.193 -10.284 1.00 0.20 C -ATOM 3470 CE1 PHE B 88 49.416 26.640 -9.532 1.00 0.20 C -ATOM 3471 CE2 PHE B 88 51.756 26.573 -8.988 1.00 0.20 C -ATOM 3472 CZ PHE B 88 50.443 26.797 -8.609 1.00 0.20 C -ATOM 3473 N GLY B 89 52.111 23.580 -14.930 1.00 0.47 N -ATOM 3474 CA GLY B 89 52.219 23.316 -16.351 1.00 0.47 C -ATOM 3475 C GLY B 89 51.633 21.995 -16.827 1.00 0.47 C -ATOM 3476 O GLY B 89 51.060 21.932 -17.903 1.00 0.47 O -ATOM 3477 N GLY B 90 51.763 20.939 -16.032 1.00 71.99 N -ATOM 3478 CA GLY B 90 51.249 19.654 -16.469 1.00 71.99 C -ATOM 3479 C GLY B 90 50.197 18.987 -15.617 1.00 71.99 C -ATOM 3480 O GLY B 90 49.222 18.497 -16.143 1.00 71.99 O -ATOM 3481 N PHE B 91 50.393 18.976 -14.305 1.00 13.02 N -ATOM 3482 CA PHE B 91 49.458 18.331 -13.390 1.00 13.02 C -ATOM 3483 C PHE B 91 48.070 18.877 -13.542 1.00 13.02 C -ATOM 3484 O PHE B 91 47.083 18.166 -13.329 1.00 13.02 O -ATOM 3485 CB PHE B 91 49.943 18.457 -11.946 1.00 13.02 C -ATOM 3486 CG PHE B 91 51.128 17.588 -11.643 1.00 13.02 C -ATOM 3487 CD1 PHE B 91 51.667 16.762 -12.627 1.00 13.02 C -ATOM 3488 CD2 PHE B 91 51.702 17.579 -10.379 1.00 13.02 C -ATOM 3489 CE1 PHE B 91 52.752 15.948 -12.359 1.00 13.02 C -ATOM 3490 CE2 PHE B 91 52.798 16.759 -10.103 1.00 13.02 C -ATOM 3491 CZ PHE B 91 53.321 15.944 -11.098 1.00 13.02 C -ATOM 3492 N THR B 92 47.966 20.128 -13.937 1.00 5.97 N -ATOM 3493 CA THR B 92 46.650 20.709 -14.110 1.00 5.97 C -ATOM 3494 C THR B 92 45.896 20.014 -15.248 1.00 5.97 C -ATOM 3495 O THR B 92 44.708 19.767 -15.124 1.00 5.97 O -ATOM 3496 CB THR B 92 46.784 22.205 -14.370 1.00 5.97 C -ATOM 3497 OG1 THR B 92 47.801 22.428 -15.365 1.00 5.97 O -ATOM 3498 CG2 THR B 92 47.163 22.920 -13.069 1.00 5.97 C -ATOM 3499 N THR B 93 46.578 19.694 -16.341 1.00 2.15 N -ATOM 3500 CA THR B 93 45.922 19.029 -17.448 1.00 2.15 C -ATOM 3501 C THR B 93 45.638 17.602 -17.084 1.00 2.15 C -ATOM 3502 O THR B 93 44.605 17.081 -17.467 1.00 2.15 O -ATOM 3503 CB THR B 93 46.798 19.018 -18.711 1.00 2.15 C -ATOM 3504 OG1 THR B 93 46.911 20.339 -19.244 1.00 2.15 O -ATOM 3505 CG2 THR B 93 46.184 18.124 -19.771 1.00 2.15 C -ATOM 3506 N THR B 94 46.536 16.963 -16.343 1.00 5.52 N -ATOM 3507 CA THR B 94 46.335 15.562 -16.003 1.00 5.52 C -ATOM 3508 C THR B 94 45.161 15.368 -15.083 1.00 5.52 C -ATOM 3509 O THR B 94 44.559 14.284 -15.107 1.00 5.52 O -ATOM 3510 CB THR B 94 47.636 14.892 -15.429 1.00 5.52 C -ATOM 3511 OG1 THR B 94 47.295 13.694 -14.713 1.00 5.52 O -ATOM 3512 CG2 THR B 94 48.399 15.831 -14.562 1.00 5.52 C -ATOM 3513 N LEU B 95 44.817 16.417 -14.324 1.00 0.66 N -ATOM 3514 CA LEU B 95 43.667 16.413 -13.401 1.00 0.66 C -ATOM 3515 C LEU B 95 42.374 16.586 -14.195 1.00 0.66 C -ATOM 3516 O LEU B 95 41.427 15.833 -14.041 1.00 0.66 O -ATOM 3517 CB LEU B 95 43.793 17.560 -12.397 1.00 0.66 C -ATOM 3518 CG LEU B 95 42.590 17.701 -11.462 1.00 0.66 C -ATOM 3519 CD1 LEU B 95 42.288 16.376 -10.802 1.00 0.66 C -ATOM 3520 CD2 LEU B 95 42.875 18.733 -10.415 1.00 0.66 C -ATOM 3521 N TYR B 96 42.360 17.599 -15.044 1.00 0.59 N -ATOM 3522 CA TYR B 96 41.229 17.905 -15.887 1.00 0.59 C -ATOM 3523 C TYR B 96 40.889 16.706 -16.755 1.00 0.59 C -ATOM 3524 O TYR B 96 39.722 16.329 -16.870 1.00 0.59 O -ATOM 3525 CB TYR B 96 41.599 19.078 -16.766 1.00 0.59 C -ATOM 3526 CG TYR B 96 40.440 19.614 -17.554 1.00 0.59 C -ATOM 3527 CD1 TYR B 96 39.474 20.423 -16.951 1.00 0.59 C -ATOM 3528 CD2 TYR B 96 40.299 19.311 -18.907 1.00 0.59 C -ATOM 3529 CE1 TYR B 96 38.389 20.918 -17.681 1.00 0.59 C -ATOM 3530 CE2 TYR B 96 39.225 19.804 -19.649 1.00 0.59 C -ATOM 3531 CZ TYR B 96 38.271 20.605 -19.035 1.00 0.59 C -ATOM 3532 OH TYR B 96 37.203 21.061 -19.782 1.00 0.59 O -ATOM 3533 N THR B 97 41.914 16.130 -17.375 1.00 0.29 N -ATOM 3534 CA THR B 97 41.780 14.956 -18.247 1.00 0.29 C -ATOM 3535 C THR B 97 41.136 13.788 -17.492 1.00 0.29 C -ATOM 3536 O THR B 97 40.156 13.210 -17.956 1.00 0.29 O -ATOM 3537 CB THR B 97 43.181 14.528 -18.794 1.00 0.29 C -ATOM 3538 OG1 THR B 97 43.722 15.586 -19.594 1.00 0.29 O -ATOM 3539 CG2 THR B 97 43.089 13.291 -19.646 1.00 0.29 C -ATOM 3540 N SER B 98 41.689 13.441 -16.339 1.00 0.21 N -ATOM 3541 CA SER B 98 41.149 12.353 -15.535 1.00 0.21 C -ATOM 3542 C SER B 98 39.710 12.668 -15.174 1.00 0.21 C -ATOM 3543 O SER B 98 38.865 11.765 -15.132 1.00 0.21 O -ATOM 3544 CB SER B 98 41.959 12.192 -14.240 1.00 0.21 C -ATOM 3545 OG SER B 98 43.346 12.027 -14.487 1.00 0.21 O -ATOM 3546 N LEU B 99 39.435 13.942 -14.895 1.00 0.38 N -ATOM 3547 CA LEU B 99 38.094 14.367 -14.526 1.00 0.38 C -ATOM 3548 C LEU B 99 37.143 14.118 -15.645 1.00 0.38 C -ATOM 3549 O LEU B 99 35.946 14.033 -15.399 1.00 0.38 O -ATOM 3550 CB LEU B 99 38.075 15.845 -14.160 1.00 0.38 C -ATOM 3551 CG LEU B 99 38.606 16.091 -12.752 1.00 0.38 C -ATOM 3552 CD1 LEU B 99 38.696 17.582 -12.476 1.00 0.38 C -ATOM 3553 CD2 LEU B 99 37.702 15.410 -11.758 1.00 0.38 C -ATOM 3554 N HIS B 100 37.658 13.967 -16.862 1.00 2.01 N -ATOM 3555 CA HIS B 100 36.804 13.749 -18.020 1.00 2.01 C -ATOM 3556 C HIS B 100 36.953 12.394 -18.633 1.00 2.01 C -ATOM 3557 O HIS B 100 36.100 11.995 -19.386 1.00 2.01 O -ATOM 3558 CB HIS B 100 37.075 14.837 -19.037 1.00 2.01 C -ATOM 3559 CG HIS B 100 36.742 16.193 -18.521 1.00 2.01 C -ATOM 3560 ND1 HIS B 100 35.469 16.528 -18.114 1.00 2.01 N -ATOM 3561 CD2 HIS B 100 37.521 17.263 -18.249 1.00 2.01 C -ATOM 3562 CE1 HIS B 100 35.479 17.748 -17.610 1.00 2.01 C -ATOM 3563 NE2 HIS B 100 36.712 18.216 -17.679 1.00 2.01 N -ATOM 3564 N GLY B 101 38.018 11.673 -18.334 1.00 0.04 N -ATOM 3565 CA GLY B 101 38.140 10.362 -18.927 1.00 0.04 C -ATOM 3566 C GLY B 101 38.967 10.323 -20.191 1.00 0.04 C -ATOM 3567 O GLY B 101 39.250 9.251 -20.698 1.00 0.04 O -ATOM 3568 N TYR B 102 39.343 11.483 -20.716 1.00 0.01 N -ATOM 3569 CA TYR B 102 40.178 11.542 -21.916 1.00 0.01 C -ATOM 3570 C TYR B 102 40.729 12.915 -22.057 1.00 0.01 C -ATOM 3571 O TYR B 102 40.343 13.810 -21.305 1.00 0.01 O -ATOM 3572 CB TYR B 102 39.403 11.214 -23.187 1.00 0.01 C -ATOM 3573 CG TYR B 102 38.401 12.264 -23.565 1.00 0.01 C -ATOM 3574 CD1 TYR B 102 37.160 12.322 -22.925 1.00 0.01 C -ATOM 3575 CD2 TYR B 102 38.698 13.224 -24.537 1.00 0.01 C -ATOM 3576 CE1 TYR B 102 36.231 13.310 -23.235 1.00 0.01 C -ATOM 3577 CE2 TYR B 102 37.777 14.223 -24.859 1.00 0.01 C -ATOM 3578 CZ TYR B 102 36.546 14.258 -24.198 1.00 0.01 C -ATOM 3579 OH TYR B 102 35.628 15.246 -24.471 1.00 0.01 O -ATOM 3580 N PHE B 103 41.629 13.088 -23.022 1.00 0.02 N -ATOM 3581 CA PHE B 103 42.255 14.383 -23.260 1.00 0.02 C -ATOM 3582 C PHE B 103 41.297 15.280 -23.966 1.00 0.02 C -ATOM 3583 O PHE B 103 41.318 15.360 -25.185 1.00 0.02 O -ATOM 3584 CB PHE B 103 43.541 14.206 -24.064 1.00 0.02 C -ATOM 3585 CG PHE B 103 44.739 13.982 -23.205 1.00 0.02 C -ATOM 3586 CD1 PHE B 103 45.437 15.061 -22.672 1.00 0.02 C -ATOM 3587 CD2 PHE B 103 45.121 12.694 -22.850 1.00 0.02 C -ATOM 3588 CE1 PHE B 103 46.489 14.863 -21.798 1.00 0.02 C -ATOM 3589 CE2 PHE B 103 46.174 12.487 -21.973 1.00 0.02 C -ATOM 3590 CZ PHE B 103 46.860 13.574 -21.446 1.00 0.02 C -ATOM 3591 N VAL B 104 40.443 15.950 -23.201 1.00 0.26 N -ATOM 3592 CA VAL B 104 39.464 16.836 -23.807 1.00 0.26 C -ATOM 3593 C VAL B 104 40.197 17.962 -24.556 1.00 0.26 C -ATOM 3594 O VAL B 104 39.683 18.439 -25.581 1.00 0.26 O -ATOM 3595 CB VAL B 104 38.459 17.411 -22.749 1.00 0.26 C -ATOM 3596 CG1 VAL B 104 38.603 16.680 -21.421 1.00 0.26 C -ATOM 3597 CG2 VAL B 104 38.665 18.893 -22.583 1.00 0.26 C -ATOM 3598 N PHE B 105 41.385 18.360 -24.080 1.00 0.02 N -ATOM 3599 CA PHE B 105 42.171 19.422 -24.739 1.00 0.02 C -ATOM 3600 C PHE B 105 43.006 18.855 -25.874 1.00 0.02 C -ATOM 3601 O PHE B 105 44.030 19.438 -26.197 1.00 0.02 O -ATOM 3602 CB PHE B 105 43.142 20.112 -23.763 1.00 0.02 C -ATOM 3603 CG PHE B 105 42.476 20.773 -22.584 1.00 0.02 C -ATOM 3604 CD1 PHE B 105 41.423 21.689 -22.771 1.00 0.02 C -ATOM 3605 CD2 PHE B 105 42.918 20.499 -21.280 1.00 0.02 C -ATOM 3606 CE1 PHE B 105 40.811 22.329 -21.674 1.00 0.02 C -ATOM 3607 CE2 PHE B 105 42.317 21.130 -20.177 1.00 0.02 C -ATOM 3608 CZ PHE B 105 41.257 22.050 -20.376 1.00 0.02 C -ATOM 3609 N GLY B 106 42.601 17.732 -26.460 1.00 0.00 N -ATOM 3610 CA GLY B 106 43.376 17.161 -27.544 1.00 0.00 C -ATOM 3611 C GLY B 106 44.880 17.065 -27.309 1.00 0.00 C -ATOM 3612 O GLY B 106 45.358 17.100 -26.172 1.00 0.00 O -ATOM 3613 N PRO B 107 45.661 16.940 -28.392 1.00 1.01 N -ATOM 3614 CA PRO B 107 47.122 16.831 -28.327 1.00 1.01 C -ATOM 3615 C PRO B 107 47.890 17.962 -27.677 1.00 1.01 C -ATOM 3616 O PRO B 107 49.022 17.744 -27.265 1.00 1.01 O -ATOM 3617 CB PRO B 107 47.527 16.584 -29.785 1.00 1.01 C -ATOM 3618 CG PRO B 107 46.362 17.071 -30.580 1.00 1.01 C -ATOM 3619 CD PRO B 107 45.180 16.684 -29.761 1.00 1.01 C -ATOM 3620 N THR B 108 47.313 19.155 -27.585 1.00 1.60 N -ATOM 3621 CA THR B 108 48.017 20.241 -26.917 1.00 1.60 C -ATOM 3622 C THR B 108 48.094 19.897 -25.444 1.00 1.60 C -ATOM 3623 O THR B 108 49.162 20.027 -24.853 1.00 1.60 O -ATOM 3624 CB THR B 108 47.286 21.577 -27.090 1.00 1.60 C -ATOM 3625 OG1 THR B 108 47.546 22.078 -28.400 1.00 1.60 O -ATOM 3626 CG2 THR B 108 47.760 22.594 -26.066 1.00 1.60 C -ATOM 3627 N GLY B 109 46.970 19.451 -24.869 1.00 0.54 N -ATOM 3628 CA GLY B 109 46.921 19.076 -23.461 1.00 0.54 C -ATOM 3629 C GLY B 109 47.884 17.937 -23.198 1.00 0.54 C -ATOM 3630 O GLY B 109 48.552 17.907 -22.161 1.00 0.54 O -ATOM 3631 N CYS B 110 47.946 17.011 -24.159 1.00 0.00 N -ATOM 3632 CA CYS B 110 48.819 15.851 -24.107 1.00 0.00 C -ATOM 3633 C CYS B 110 50.260 16.303 -24.101 1.00 0.00 C -ATOM 3634 O CYS B 110 51.107 15.676 -23.430 1.00 0.00 O -ATOM 3635 CB CYS B 110 48.573 14.995 -25.335 1.00 0.00 C -ATOM 3636 SG CYS B 110 49.521 13.449 -25.467 1.00 0.00 S -ATOM 3637 N ASN B 111 50.546 17.360 -24.872 1.00 0.05 N -ATOM 3638 CA ASN B 111 51.894 17.929 -24.942 1.00 0.05 C -ATOM 3639 C ASN B 111 52.190 18.615 -23.621 1.00 0.05 C -ATOM 3640 O ASN B 111 53.293 18.483 -23.093 1.00 0.05 O -ATOM 3641 CB ASN B 111 52.008 18.945 -26.083 1.00 0.05 C -ATOM 3642 CG ASN B 111 51.867 18.306 -27.454 1.00 0.05 C -ATOM 3643 OD1 ASN B 111 52.535 17.319 -27.775 1.00 0.05 O -ATOM 3644 ND2 ASN B 111 51.003 18.882 -28.277 1.00 0.05 N -ATOM 3645 N LEU B 112 51.211 19.336 -23.088 1.00 1.54 N -ATOM 3646 CA LEU B 112 51.393 20.000 -21.816 1.00 1.54 C -ATOM 3647 C LEU B 112 51.698 18.950 -20.781 1.00 1.54 C -ATOM 3648 O LEU B 112 52.733 19.010 -20.111 1.00 1.54 O -ATOM 3649 CB LEU B 112 50.125 20.766 -21.429 1.00 1.54 C -ATOM 3650 CG LEU B 112 49.887 22.087 -22.159 1.00 1.54 C -ATOM 3651 CD1 LEU B 112 48.601 22.714 -21.671 1.00 1.54 C -ATOM 3652 CD2 LEU B 112 51.063 23.009 -21.914 1.00 1.54 C -ATOM 3653 N GLU B 113 50.807 17.975 -20.668 1.00 0.65 N -ATOM 3654 CA GLU B 113 50.958 16.904 -19.696 1.00 0.65 C -ATOM 3655 C GLU B 113 52.341 16.252 -19.816 1.00 0.65 C -ATOM 3656 O GLU B 113 53.090 16.208 -18.824 1.00 0.65 O -ATOM 3657 CB GLU B 113 49.842 15.871 -19.903 1.00 0.65 C -ATOM 3658 CG GLU B 113 49.261 15.297 -18.638 1.00 0.65 C -ATOM 3659 CD GLU B 113 50.249 14.445 -17.865 1.00 0.65 C -ATOM 3660 OE1 GLU B 113 50.825 13.517 -18.464 1.00 0.65 O -ATOM 3661 OE2 GLU B 113 50.441 14.698 -16.651 1.00 0.65 O -ATOM 3662 N GLY B 114 52.692 15.773 -21.009 1.00 1.33 N -ATOM 3663 CA GLY B 114 53.976 15.117 -21.197 1.00 1.33 C -ATOM 3664 C GLY B 114 55.256 15.941 -21.102 1.00 1.33 C -ATOM 3665 O GLY B 114 56.221 15.509 -20.474 1.00 1.33 O -ATOM 3666 N PHE B 115 55.271 17.124 -21.716 1.00 0.30 N -ATOM 3667 CA PHE B 115 56.469 17.976 -21.725 1.00 0.30 C -ATOM 3668 C PHE B 115 56.942 18.317 -20.337 1.00 0.30 C -ATOM 3669 O PHE B 115 58.116 18.084 -20.006 1.00 0.30 O -ATOM 3670 CB PHE B 115 56.219 19.289 -22.471 1.00 0.30 C -ATOM 3671 CG PHE B 115 57.355 20.267 -22.357 1.00 0.30 C -ATOM 3672 CD1 PHE B 115 58.497 20.114 -23.127 1.00 0.30 C -ATOM 3673 CD2 PHE B 115 57.294 21.317 -21.450 1.00 0.30 C -ATOM 3674 CE1 PHE B 115 59.554 20.983 -22.999 1.00 0.30 C -ATOM 3675 CE2 PHE B 115 58.349 22.188 -21.318 1.00 0.30 C -ATOM 3676 CZ PHE B 115 59.483 22.022 -22.094 1.00 0.30 C -ATOM 3677 N PHE B 116 56.047 18.893 -19.542 1.00 8.79 N -ATOM 3678 CA PHE B 116 56.384 19.301 -18.189 1.00 8.79 C -ATOM 3679 C PHE B 116 56.739 18.153 -17.310 1.00 8.79 C -ATOM 3680 O PHE B 116 57.668 18.283 -16.526 1.00 8.79 O -ATOM 3681 CB PHE B 116 55.245 20.113 -17.591 1.00 8.79 C -ATOM 3682 CG PHE B 116 55.170 21.478 -18.152 1.00 8.79 C -ATOM 3683 CD1 PHE B 116 56.263 22.335 -18.033 1.00 8.79 C -ATOM 3684 CD2 PHE B 116 54.055 21.894 -18.864 1.00 8.79 C -ATOM 3685 CE1 PHE B 116 56.248 23.575 -18.612 1.00 8.79 C -ATOM 3686 CE2 PHE B 116 54.025 23.149 -19.459 1.00 8.79 C -ATOM 3687 CZ PHE B 116 55.129 23.992 -19.333 1.00 8.79 C -ATOM 3688 N ALA B 117 56.023 17.042 -17.423 1.00 0.75 N -ATOM 3689 CA ALA B 117 56.337 15.897 -16.602 1.00 0.75 C -ATOM 3690 C ALA B 117 57.717 15.421 -16.992 1.00 0.75 C -ATOM 3691 O ALA B 117 58.470 14.906 -16.157 1.00 0.75 O -ATOM 3692 CB ALA B 117 55.305 14.809 -16.818 1.00 0.75 C -ATOM 3693 N THR B 118 58.062 15.615 -18.260 1.00 3.01 N -ATOM 3694 CA THR B 118 59.361 15.204 -18.751 1.00 3.01 C -ATOM 3695 C THR B 118 60.393 16.268 -18.431 1.00 3.01 C -ATOM 3696 O THR B 118 61.502 15.934 -18.009 1.00 3.01 O -ATOM 3697 CB THR B 118 59.321 14.980 -20.248 1.00 3.01 C -ATOM 3698 OG1 THR B 118 58.354 13.965 -20.545 1.00 3.01 O -ATOM 3699 CG2 THR B 118 60.678 14.531 -20.742 1.00 3.01 C -ATOM 3700 N LEU B 119 60.051 17.535 -18.637 1.00 0.85 N -ATOM 3701 CA LEU B 119 60.975 18.612 -18.321 1.00 0.85 C -ATOM 3702 C LEU B 119 61.363 18.478 -16.845 1.00 0.85 C -ATOM 3703 O LEU B 119 62.543 18.542 -16.492 1.00 0.85 O -ATOM 3704 CB LEU B 119 60.299 19.967 -18.552 1.00 0.85 C -ATOM 3705 CG LEU B 119 61.079 21.149 -19.157 1.00 0.85 C -ATOM 3706 CD1 LEU B 119 60.573 22.429 -18.505 1.00 0.85 C -ATOM 3707 CD2 LEU B 119 62.584 20.997 -18.953 1.00 0.85 C -ATOM 3708 N GLY B 120 60.357 18.269 -15.998 1.00 0.44 N -ATOM 3709 CA GLY B 120 60.571 18.130 -14.567 1.00 0.44 C -ATOM 3710 C GLY B 120 61.428 16.959 -14.112 1.00 0.44 C -ATOM 3711 O GLY B 120 62.316 17.139 -13.272 1.00 0.44 O -ATOM 3712 N GLY B 121 61.161 15.764 -14.636 1.00 0.00 N -ATOM 3713 CA GLY B 121 61.944 14.591 -14.261 1.00 0.00 C -ATOM 3714 C GLY B 121 63.396 14.614 -14.739 1.00 0.00 C -ATOM 3715 O GLY B 121 64.305 14.182 -14.011 1.00 0.00 O -ATOM 3716 N GLU B 122 63.623 15.106 -15.959 1.00 4.56 N -ATOM 3717 CA GLU B 122 64.967 15.182 -16.507 1.00 4.56 C -ATOM 3718 C GLU B 122 65.778 16.275 -15.808 1.00 4.56 C -ATOM 3719 O GLU B 122 66.979 16.098 -15.606 1.00 4.56 O -ATOM 3720 CB GLU B 122 64.909 15.401 -18.013 1.00 4.56 C -ATOM 3721 CG GLU B 122 64.750 14.103 -18.809 1.00 4.56 C -ATOM 3722 CD GLU B 122 65.939 13.130 -18.650 1.00 4.56 C -ATOM 3723 OE1 GLU B 122 67.103 13.589 -18.643 1.00 4.56 O -ATOM 3724 OE2 GLU B 122 65.728 11.898 -18.552 1.00 4.56 O -ATOM 3725 N ILE B 123 65.161 17.401 -15.454 1.00 0.11 N -ATOM 3726 CA ILE B 123 65.904 18.423 -14.731 1.00 0.11 C -ATOM 3727 C ILE B 123 66.383 17.788 -13.452 1.00 0.11 C -ATOM 3728 O ILE B 123 67.468 18.075 -12.975 1.00 0.11 O -ATOM 3729 CB ILE B 123 65.020 19.623 -14.372 1.00 0.11 C -ATOM 3730 CG1 ILE B 123 64.944 20.575 -15.557 1.00 0.11 C -ATOM 3731 CG2 ILE B 123 65.568 20.345 -13.149 1.00 0.11 C -ATOM 3732 CD1 ILE B 123 64.030 21.756 -15.306 1.00 0.11 C -ATOM 3733 N ALA B 124 65.565 16.897 -12.916 1.00 0.27 N -ATOM 3734 CA ALA B 124 65.879 16.211 -11.679 1.00 0.27 C -ATOM 3735 C ALA B 124 67.022 15.264 -11.877 1.00 0.27 C -ATOM 3736 O ALA B 124 67.832 15.113 -10.984 1.00 0.27 O -ATOM 3737 CB ALA B 124 64.654 15.459 -11.174 1.00 0.27 C -ATOM 3738 N LEU B 125 67.104 14.615 -13.028 1.00 0.94 N -ATOM 3739 CA LEU B 125 68.193 13.670 -13.254 1.00 0.94 C -ATOM 3740 C LEU B 125 69.481 14.421 -13.525 1.00 0.94 C -ATOM 3741 O LEU B 125 70.539 14.015 -13.035 1.00 0.94 O -ATOM 3742 CB LEU B 125 67.870 12.735 -14.426 1.00 0.94 C -ATOM 3743 CG LEU B 125 68.936 11.719 -14.850 1.00 0.94 C -ATOM 3744 CD1 LEU B 125 69.277 10.801 -13.697 1.00 0.94 C -ATOM 3745 CD2 LEU B 125 68.434 10.919 -16.049 1.00 0.94 C -ATOM 3746 N TRP B 126 69.411 15.510 -14.287 1.00 0.37 N -ATOM 3747 CA TRP B 126 70.620 16.270 -14.583 1.00 0.37 C -ATOM 3748 C TRP B 126 71.157 16.895 -13.316 1.00 0.37 C -ATOM 3749 O TRP B 126 72.351 16.764 -13.040 1.00 0.37 O -ATOM 3750 CB TRP B 126 70.353 17.314 -15.687 1.00 0.37 C -ATOM 3751 CG TRP B 126 70.219 16.619 -16.996 1.00 0.37 C -ATOM 3752 CD1 TRP B 126 69.069 16.415 -17.714 1.00 0.37 C -ATOM 3753 CD2 TRP B 126 71.226 15.826 -17.629 1.00 0.37 C -ATOM 3754 NE1 TRP B 126 69.301 15.527 -18.740 1.00 0.37 N -ATOM 3755 CE2 TRP B 126 70.617 15.150 -18.707 1.00 0.37 C -ATOM 3756 CE3 TRP B 126 72.586 15.615 -17.379 1.00 0.37 C -ATOM 3757 CZ2 TRP B 126 71.322 14.278 -19.531 1.00 0.37 C -ATOM 3758 CZ3 TRP B 126 73.284 14.751 -18.199 1.00 0.37 C -ATOM 3759 CH2 TRP B 126 72.650 14.092 -19.262 1.00 0.37 C -ATOM 3760 N SER B 127 70.288 17.533 -12.534 1.00 0.00 N -ATOM 3761 CA SER B 127 70.702 18.147 -11.276 1.00 0.00 C -ATOM 3762 C SER B 127 71.329 17.104 -10.351 1.00 0.00 C -ATOM 3763 O SER B 127 72.073 17.467 -9.447 1.00 0.00 O -ATOM 3764 CB SER B 127 69.505 18.803 -10.581 1.00 0.00 C -ATOM 3765 OG SER B 127 68.999 19.881 -11.349 1.00 0.00 O -ATOM 3766 N LEU B 128 71.040 15.822 -10.572 1.00 0.00 N -ATOM 3767 CA LEU B 128 71.595 14.761 -9.730 1.00 0.00 C -ATOM 3768 C LEU B 128 73.024 14.487 -10.132 1.00 0.00 C -ATOM 3769 O LEU B 128 73.793 13.945 -9.344 1.00 0.00 O -ATOM 3770 CB LEU B 128 70.743 13.476 -9.826 1.00 0.00 C -ATOM 3771 CG LEU B 128 69.506 13.334 -8.903 1.00 0.00 C -ATOM 3772 CD1 LEU B 128 68.726 12.057 -9.215 1.00 0.00 C -ATOM 3773 CD2 LEU B 128 69.955 13.297 -7.439 1.00 0.00 C -ATOM 3774 N VAL B 129 73.390 14.851 -11.354 1.00 6.38 N -ATOM 3775 CA VAL B 129 74.763 14.654 -11.800 1.00 6.38 C -ATOM 3776 C VAL B 129 75.576 15.850 -11.308 1.00 6.38 C -ATOM 3777 O VAL B 129 76.688 15.674 -10.781 1.00 6.38 O -ATOM 3778 CB VAL B 129 74.840 14.554 -13.335 1.00 6.38 C -ATOM 3779 CG1 VAL B 129 76.256 14.216 -13.761 1.00 6.38 C -ATOM 3780 CG2 VAL B 129 73.877 13.485 -13.826 1.00 6.38 C -ATOM 3781 N VAL B 130 75.007 17.048 -11.470 1.00 1.63 N -ATOM 3782 CA VAL B 130 75.638 18.284 -11.025 1.00 1.63 C -ATOM 3783 C VAL B 130 76.024 18.113 -9.578 1.00 1.63 C -ATOM 3784 O VAL B 130 77.044 18.630 -9.161 1.00 1.63 O -ATOM 3785 CB VAL B 130 74.668 19.490 -11.156 1.00 1.63 C -ATOM 3786 CG1 VAL B 130 75.221 20.700 -10.438 1.00 1.63 C -ATOM 3787 CG2 VAL B 130 74.453 19.822 -12.617 1.00 1.63 C -ATOM 3788 N LEU B 131 75.214 17.373 -8.825 1.00 0.00 N -ATOM 3789 CA LEU B 131 75.469 17.114 -7.412 1.00 0.00 C -ATOM 3790 C LEU B 131 76.498 16.034 -7.258 1.00 0.00 C -ATOM 3791 O LEU B 131 77.316 16.126 -6.352 1.00 0.00 O -ATOM 3792 CB LEU B 131 74.194 16.663 -6.697 1.00 0.00 C -ATOM 3793 CG LEU B 131 73.292 17.680 -5.999 1.00 0.00 C -ATOM 3794 CD1 LEU B 131 72.904 18.762 -6.954 1.00 0.00 C -ATOM 3795 CD2 LEU B 131 72.058 16.977 -5.476 1.00 0.00 C -ATOM 3796 N ALA B 132 76.440 15.003 -8.103 1.00 0.00 N -ATOM 3797 CA ALA B 132 77.400 13.898 -8.044 1.00 0.00 C -ATOM 3798 C ALA B 132 78.768 14.505 -8.164 1.00 0.00 C -ATOM 3799 O ALA B 132 79.672 14.180 -7.404 1.00 0.00 O -ATOM 3800 CB ALA B 132 77.162 12.914 -9.194 1.00 0.00 C -ATOM 3801 N ILE B 133 78.886 15.425 -9.113 1.00 0.02 N -ATOM 3802 CA ILE B 133 80.127 16.122 -9.379 1.00 0.02 C -ATOM 3803 C ILE B 133 80.533 16.989 -8.212 1.00 0.02 C -ATOM 3804 O ILE B 133 81.528 16.690 -7.562 1.00 0.02 O -ATOM 3805 CB ILE B 133 79.984 16.958 -10.665 1.00 0.02 C -ATOM 3806 CG1 ILE B 133 79.882 15.996 -11.843 1.00 0.02 C -ATOM 3807 CG2 ILE B 133 81.141 17.927 -10.824 1.00 0.02 C -ATOM 3808 CD1 ILE B 133 80.731 14.716 -11.657 1.00 0.02 C -ATOM 3809 N GLU B 134 79.778 18.046 -7.939 1.00 0.00 N -ATOM 3810 CA GLU B 134 80.105 18.931 -6.840 1.00 0.00 C -ATOM 3811 C GLU B 134 80.445 18.126 -5.617 1.00 0.00 C -ATOM 3812 O GLU B 134 81.281 18.542 -4.842 1.00 0.00 O -ATOM 3813 CB GLU B 134 78.936 19.862 -6.543 1.00 0.00 C -ATOM 3814 CG GLU B 134 79.248 20.933 -5.505 1.00 0.00 C -ATOM 3815 CD GLU B 134 78.844 20.542 -4.083 1.00 0.00 C -ATOM 3816 OE1 GLU B 134 79.077 19.374 -3.688 1.00 0.00 O -ATOM 3817 OE2 GLU B 134 78.301 21.413 -3.354 1.00 0.00 O -ATOM 3818 N ARG B 135 79.815 16.970 -5.449 1.00 0.00 N -ATOM 3819 CA ARG B 135 80.064 16.116 -4.285 1.00 0.00 C -ATOM 3820 C ARG B 135 81.461 15.521 -4.352 1.00 0.00 C -ATOM 3821 O ARG B 135 82.149 15.448 -3.343 1.00 0.00 O -ATOM 3822 CB ARG B 135 79.041 14.980 -4.238 1.00 0.00 C -ATOM 3823 CG ARG B 135 78.754 14.461 -2.850 1.00 0.00 C -ATOM 3824 CD ARG B 135 77.658 15.281 -2.221 1.00 0.00 C -ATOM 3825 NE ARG B 135 77.945 16.719 -2.207 1.00 0.00 N -ATOM 3826 CZ ARG B 135 78.592 17.357 -1.230 1.00 0.00 C -ATOM 3827 NH1 ARG B 135 79.040 16.686 -0.172 1.00 0.00 N -ATOM 3828 NH2 ARG B 135 78.761 18.674 -1.291 1.00 0.00 N -ATOM 3829 N TYR B 136 81.857 15.077 -5.541 1.00 0.00 N -ATOM 3830 CA TYR B 136 83.168 14.469 -5.781 1.00 0.00 C -ATOM 3831 C TYR B 136 84.235 15.536 -5.737 1.00 0.00 C -ATOM 3832 O TYR B 136 85.385 15.258 -5.431 1.00 0.00 O -ATOM 3833 CB TYR B 136 83.179 13.807 -7.158 1.00 0.00 C -ATOM 3834 CG TYR B 136 84.545 13.383 -7.631 1.00 0.00 C -ATOM 3835 CD1 TYR B 136 85.087 12.161 -7.242 1.00 0.00 C -ATOM 3836 CD2 TYR B 136 85.303 14.215 -8.456 1.00 0.00 C -ATOM 3837 CE1 TYR B 136 86.358 11.768 -7.666 1.00 0.00 C -ATOM 3838 CE2 TYR B 136 86.575 13.839 -8.887 1.00 0.00 C -ATOM 3839 CZ TYR B 136 87.103 12.610 -8.489 1.00 0.00 C -ATOM 3840 OH TYR B 136 88.369 12.233 -8.907 1.00 0.00 O -ATOM 3841 N VAL B 137 83.839 16.757 -6.061 1.00 1.34 N -ATOM 3842 CA VAL B 137 84.741 17.894 -6.080 1.00 1.34 C -ATOM 3843 C VAL B 137 84.997 18.413 -4.666 1.00 1.34 C -ATOM 3844 O VAL B 137 85.914 19.213 -4.477 1.00 1.34 O -ATOM 3845 CB VAL B 137 84.151 19.032 -6.955 1.00 1.34 C -ATOM 3846 CG1 VAL B 137 85.065 20.253 -6.938 1.00 1.34 C -ATOM 3847 CG2 VAL B 137 83.954 18.527 -8.375 1.00 1.34 C -ATOM 3848 N VAL B 138 84.206 17.983 -3.683 1.00 0.00 N -ATOM 3849 CA VAL B 138 84.423 18.446 -2.313 1.00 0.00 C -ATOM 3850 C VAL B 138 84.890 17.305 -1.457 1.00 0.00 C -ATOM 3851 O VAL B 138 85.557 17.518 -0.469 1.00 0.00 O -ATOM 3852 CB VAL B 138 83.145 19.046 -1.676 1.00 0.00 C -ATOM 3853 CG1 VAL B 138 82.598 20.160 -2.551 1.00 0.00 C -ATOM 3854 CG2 VAL B 138 82.118 17.958 -1.444 1.00 0.00 C -ATOM 3855 N VAL B 139 84.550 16.087 -1.834 1.00 0.00 N -ATOM 3856 CA VAL B 139 84.967 14.949 -1.043 1.00 0.00 C -ATOM 3857 C VAL B 139 86.272 14.398 -1.552 1.00 0.00 C -ATOM 3858 O VAL B 139 87.103 13.999 -0.751 1.00 0.00 O -ATOM 3859 CB VAL B 139 83.911 13.851 -1.067 1.00 0.00 C -ATOM 3860 CG1 VAL B 139 84.461 12.593 -0.420 1.00 0.00 C -ATOM 3861 CG2 VAL B 139 82.663 14.335 -0.350 1.00 0.00 C -ATOM 3862 N CYS B 140 86.454 14.365 -2.870 1.00 0.19 N -ATOM 3863 CA CYS B 140 87.697 13.853 -3.464 1.00 0.19 C -ATOM 3864 C CYS B 140 88.534 15.014 -3.998 1.00 0.19 C -ATOM 3865 O CYS B 140 89.507 14.782 -4.725 1.00 0.19 O -ATOM 3866 CB CYS B 140 87.392 12.874 -4.613 1.00 0.19 C -ATOM 3867 SG CYS B 140 86.499 11.357 -4.144 1.00 0.19 S -ATOM 3868 N LYS B 141 88.144 16.237 -3.632 1.00 0.05 N -ATOM 3869 CA LYS B 141 88.794 17.490 -4.043 1.00 0.05 C -ATOM 3870 C LYS B 141 90.020 17.278 -4.931 1.00 0.05 C -ATOM 3871 O LYS B 141 91.137 17.160 -4.409 1.00 0.05 O -ATOM 3872 CB LYS B 141 89.206 18.314 -2.810 1.00 0.05 C -ATOM 3873 CG LYS B 141 89.751 19.694 -3.170 1.00 0.05 C -ATOM 3874 CD LYS B 141 90.298 20.448 -1.978 1.00 0.05 C -ATOM 3875 CE LYS B 141 90.938 21.749 -2.442 1.00 0.05 C -ATOM 3876 NZ LYS B 141 91.606 22.489 -1.336 1.00 0.05 N -ATOM 3877 N PRO B 142 89.836 17.218 -6.271 1.00 0.00 N -ATOM 3878 CA PRO B 142 90.982 17.023 -7.177 1.00 0.00 C -ATOM 3879 C PRO B 142 91.756 18.332 -7.414 1.00 0.00 C -ATOM 3880 O PRO B 142 92.736 18.348 -8.177 1.00 0.00 O -ATOM 3881 CB PRO B 142 90.330 16.497 -8.465 1.00 0.00 C -ATOM 3882 CG PRO B 142 89.037 15.885 -7.990 1.00 0.00 C -ATOM 3883 CD PRO B 142 88.576 16.906 -6.971 1.00 0.00 C -ATOM 3884 N MET B 143 91.321 19.407 -6.755 1.00 0.22 N -ATOM 3885 CA MET B 143 91.951 20.715 -6.906 1.00 0.22 C -ATOM 3886 C MET B 143 92.843 21.078 -5.741 1.00 0.22 C -ATOM 3887 O MET B 143 93.114 20.246 -4.866 1.00 0.22 O -ATOM 3888 CB MET B 143 90.888 21.800 -7.106 1.00 0.22 C -ATOM 3889 CG MET B 143 90.997 22.459 -8.463 1.00 0.22 C -ATOM 3890 SD MET B 143 91.060 21.202 -9.763 1.00 0.22 S -ATOM 3891 CE MET B 143 92.889 20.868 -9.920 1.00 0.22 C -ATOM 3892 N SER B 144 93.296 22.333 -5.743 1.00 0.00 N -ATOM 3893 CA SER B 144 94.187 22.858 -4.712 1.00 0.00 C -ATOM 3894 C SER B 144 93.452 23.856 -3.823 1.00 0.00 C -ATOM 3895 O SER B 144 93.318 23.621 -2.621 1.00 0.00 O -ATOM 3896 CB SER B 144 95.405 23.515 -5.377 1.00 0.00 C -ATOM 3897 OG SER B 144 96.072 22.595 -6.234 1.00 0.00 O -ATOM 3898 N ASN B 145 92.992 24.963 -4.396 1.00 0.12 N -ATOM 3899 CA ASN B 145 92.256 25.967 -3.624 1.00 0.12 C -ATOM 3900 C ASN B 145 91.039 26.402 -4.417 1.00 0.12 C -ATOM 3901 O ASN B 145 90.620 27.568 -4.333 1.00 0.12 O -ATOM 3902 CB ASN B 145 93.154 27.172 -3.302 1.00 0.12 C -ATOM 3903 CG ASN B 145 93.635 27.897 -4.549 1.00 0.12 C -ATOM 3904 OD1 ASN B 145 93.981 27.267 -5.553 1.00 0.12 O -ATOM 3905 ND2 ASN B 145 93.673 29.227 -4.485 1.00 0.12 N -ATOM 3906 N PHE B 146 90.478 25.454 -5.174 1.00 0.01 N -ATOM 3907 CA PHE B 146 89.294 25.672 -6.013 1.00 0.01 C -ATOM 3908 C PHE B 146 88.010 25.617 -5.180 1.00 0.01 C -ATOM 3909 O PHE B 146 87.764 24.632 -4.468 1.00 0.01 O -ATOM 3910 CB PHE B 146 89.231 24.614 -7.125 1.00 0.01 C -ATOM 3911 CG PHE B 146 87.982 24.684 -7.956 1.00 0.01 C -ATOM 3912 CD1 PHE B 146 87.708 25.809 -8.734 1.00 0.01 C -ATOM 3913 CD2 PHE B 146 87.056 23.645 -7.925 1.00 0.01 C -ATOM 3914 CE1 PHE B 146 86.524 25.899 -9.469 1.00 0.01 C -ATOM 3915 CE2 PHE B 146 85.868 23.728 -8.657 1.00 0.01 C -ATOM 3916 CZ PHE B 146 85.601 24.854 -9.429 1.00 0.01 C -ATOM 3917 N ARG B 147 87.196 26.668 -5.280 1.00 0.25 N -ATOM 3918 CA ARG B 147 85.945 26.737 -4.542 1.00 0.25 C -ATOM 3919 C ARG B 147 84.796 26.794 -5.538 1.00 0.25 C -ATOM 3920 O ARG B 147 84.828 27.598 -6.476 1.00 0.25 O -ATOM 3921 CB ARG B 147 85.938 27.977 -3.640 1.00 0.25 C -ATOM 3922 CG ARG B 147 85.148 27.821 -2.348 1.00 0.25 C -ATOM 3923 CD ARG B 147 84.666 29.175 -1.880 1.00 0.25 C -ATOM 3924 NE ARG B 147 83.647 29.712 -2.779 1.00 0.25 N -ATOM 3925 CZ ARG B 147 83.276 30.987 -2.823 1.00 0.25 C -ATOM 3926 NH1 ARG B 147 83.844 31.874 -2.022 1.00 0.25 N -ATOM 3927 NH2 ARG B 147 82.331 31.377 -3.667 1.00 0.25 N -ATOM 3928 N PHE B 148 83.799 25.935 -5.330 1.00 0.00 N -ATOM 3929 CA PHE B 148 82.617 25.837 -6.184 1.00 0.00 C -ATOM 3930 C PHE B 148 81.685 27.002 -5.902 1.00 0.00 C -ATOM 3931 O PHE B 148 80.598 26.804 -5.371 1.00 0.00 O -ATOM 3932 CB PHE B 148 81.906 24.523 -5.882 1.00 0.00 C -ATOM 3933 CG PHE B 148 81.304 23.860 -7.083 1.00 0.00 C -ATOM 3934 CD1 PHE B 148 80.194 24.410 -7.731 1.00 0.00 C -ATOM 3935 CD2 PHE B 148 81.836 22.660 -7.556 1.00 0.00 C -ATOM 3936 CE1 PHE B 148 79.616 23.767 -8.837 1.00 0.00 C -ATOM 3937 CE2 PHE B 148 81.270 22.006 -8.660 1.00 0.00 C -ATOM 3938 CZ PHE B 148 80.155 22.563 -9.303 1.00 0.00 C -ATOM 3939 N GLY B 149 82.100 28.210 -6.263 1.00 0.22 N -ATOM 3940 CA GLY B 149 81.280 29.378 -6.001 1.00 0.22 C -ATOM 3941 C GLY B 149 79.882 29.345 -6.582 1.00 0.22 C -ATOM 3942 O GLY B 149 79.498 28.407 -7.277 1.00 0.22 O -ATOM 3943 N GLU B 150 79.118 30.390 -6.278 1.00 0.11 N -ATOM 3944 CA GLU B 150 77.757 30.527 -6.775 1.00 0.11 C -ATOM 3945 C GLU B 150 77.791 30.524 -8.289 1.00 0.11 C -ATOM 3946 O GLU B 150 76.829 30.093 -8.923 1.00 0.11 O -ATOM 3947 CB GLU B 150 77.125 31.835 -6.265 1.00 0.11 C -ATOM 3948 CG GLU B 150 76.764 31.817 -4.775 1.00 0.11 C -ATOM 3949 CD GLU B 150 76.220 33.149 -4.250 1.00 0.11 C -ATOM 3950 OE1 GLU B 150 75.201 33.653 -4.780 1.00 0.11 O -ATOM 3951 OE2 GLU B 150 76.812 33.690 -3.288 1.00 0.11 O -ATOM 3952 N ASN B 151 78.898 30.988 -8.868 1.00 0.08 N -ATOM 3953 CA ASN B 151 79.032 31.034 -10.321 1.00 0.08 C -ATOM 3954 C ASN B 151 79.012 29.625 -10.910 1.00 0.08 C -ATOM 3955 O ASN B 151 78.344 29.406 -11.910 1.00 0.08 O -ATOM 3956 CB ASN B 151 80.312 31.793 -10.734 1.00 0.08 C -ATOM 3957 CG ASN B 151 81.602 31.090 -10.301 1.00 0.08 C -ATOM 3958 OD1 ASN B 151 81.931 31.023 -9.110 1.00 0.08 O -ATOM 3959 ND2 ASN B 151 82.342 30.571 -11.280 1.00 0.08 N -ATOM 3960 N HIS B 152 79.716 28.674 -10.308 1.00 0.00 N -ATOM 3961 CA HIS B 152 79.690 27.320 -10.839 1.00 0.00 C -ATOM 3962 C HIS B 152 78.291 26.742 -10.636 1.00 0.00 C -ATOM 3963 O HIS B 152 77.910 25.791 -11.320 1.00 0.00 O -ATOM 3964 CB HIS B 152 80.705 26.434 -10.124 1.00 0.00 C -ATOM 3965 CG HIS B 152 82.118 26.916 -10.219 1.00 0.00 C -ATOM 3966 ND1 HIS B 152 82.583 28.012 -9.519 1.00 0.00 N -ATOM 3967 CD2 HIS B 152 83.176 26.440 -10.918 1.00 0.00 C -ATOM 3968 CE1 HIS B 152 83.866 28.187 -9.783 1.00 0.00 C -ATOM 3969 NE2 HIS B 152 84.251 27.247 -10.629 1.00 0.00 N -ATOM 3970 N ALA B 153 77.533 27.318 -9.702 1.00 6.84 N -ATOM 3971 CA ALA B 153 76.183 26.859 -9.398 1.00 6.84 C -ATOM 3972 C ALA B 153 75.207 27.300 -10.459 1.00 6.84 C -ATOM 3973 O ALA B 153 74.397 26.492 -10.868 1.00 6.84 O -ATOM 3974 CB ALA B 153 75.745 27.374 -8.043 1.00 6.84 C -ATOM 3975 N ILE B 154 75.252 28.555 -10.899 1.00 0.02 N -ATOM 3976 CA ILE B 154 74.319 28.997 -11.936 1.00 0.02 C -ATOM 3977 C ILE B 154 74.639 28.280 -13.232 1.00 0.02 C -ATOM 3978 O ILE B 154 73.786 28.199 -14.116 1.00 0.02 O -ATOM 3979 CB ILE B 154 74.388 30.526 -12.180 1.00 0.02 C -ATOM 3980 CG1 ILE B 154 73.772 31.277 -11.005 1.00 0.02 C -ATOM 3981 CG2 ILE B 154 73.616 30.899 -13.437 1.00 0.02 C -ATOM 3982 CD1 ILE B 154 74.514 31.122 -9.714 1.00 0.02 C -ATOM 3983 N MET B 155 75.860 27.764 -13.345 1.00 0.64 N -ATOM 3984 CA MET B 155 76.281 27.034 -14.536 1.00 0.64 C -ATOM 3985 C MET B 155 75.629 25.679 -14.515 1.00 0.64 C -ATOM 3986 O MET B 155 74.899 25.347 -15.450 1.00 0.64 O -ATOM 3987 CB MET B 155 77.804 26.871 -14.567 1.00 0.64 C -ATOM 3988 CG MET B 155 78.578 28.184 -14.708 1.00 0.64 C -ATOM 3989 SD MET B 155 78.201 29.097 -16.239 1.00 0.64 S -ATOM 3990 CE MET B 155 76.671 30.038 -15.807 1.00 0.64 C -ATOM 3991 N GLY B 156 75.892 24.908 -13.457 1.00 0.00 N -ATOM 3992 CA GLY B 156 75.303 23.583 -13.299 1.00 0.00 C -ATOM 3993 C GLY B 156 73.778 23.596 -13.273 1.00 0.00 C -ATOM 3994 O GLY B 156 73.148 22.550 -13.369 1.00 0.00 O -ATOM 3995 N VAL B 157 73.192 24.782 -13.115 1.00 0.15 N -ATOM 3996 CA VAL B 157 71.747 24.951 -13.116 1.00 0.15 C -ATOM 3997 C VAL B 157 71.305 25.036 -14.557 1.00 0.15 C -ATOM 3998 O VAL B 157 70.538 24.199 -15.029 1.00 0.15 O -ATOM 3999 CB VAL B 157 71.323 26.246 -12.368 1.00 0.15 C -ATOM 4000 CG1 VAL B 157 69.987 26.744 -12.876 1.00 0.15 C -ATOM 4001 CG2 VAL B 157 71.205 25.966 -10.886 1.00 0.15 C -ATOM 4002 N ALA B 158 71.795 26.043 -15.265 1.00 0.60 N -ATOM 4003 CA ALA B 158 71.442 26.219 -16.668 1.00 0.60 C -ATOM 4004 C ALA B 158 71.760 24.950 -17.438 1.00 0.60 C -ATOM 4005 O ALA B 158 71.041 24.601 -18.369 1.00 0.60 O -ATOM 4006 CB ALA B 158 72.209 27.388 -17.245 1.00 0.60 C -ATOM 4007 N PHE B 159 72.828 24.266 -17.042 1.00 4.06 N -ATOM 4008 CA PHE B 159 73.253 23.029 -17.689 1.00 4.06 C -ATOM 4009 C PHE B 159 72.156 21.999 -17.655 1.00 4.06 C -ATOM 4010 O PHE B 159 71.970 21.276 -18.644 1.00 4.06 O -ATOM 4011 CB PHE B 159 74.464 22.464 -16.971 1.00 4.06 C -ATOM 4012 CG PHE B 159 74.670 21.009 -17.205 1.00 4.06 C -ATOM 4013 CD1 PHE B 159 75.151 20.549 -18.421 1.00 4.06 C -ATOM 4014 CD2 PHE B 159 74.398 20.095 -16.202 1.00 4.06 C -ATOM 4015 CE1 PHE B 159 75.364 19.191 -18.633 1.00 4.06 C -ATOM 4016 CE2 PHE B 159 74.606 18.740 -16.401 1.00 4.06 C -ATOM 4017 CZ PHE B 159 75.093 18.283 -17.621 1.00 4.06 C -ATOM 4018 N THR B 160 71.461 21.915 -16.518 1.00 0.00 N -ATOM 4019 CA THR B 160 70.371 20.959 -16.326 1.00 0.00 C -ATOM 4020 C THR B 160 69.185 21.340 -17.207 1.00 0.00 C -ATOM 4021 O THR B 160 68.516 20.445 -17.741 1.00 0.00 O -ATOM 4022 CB THR B 160 69.921 20.860 -14.814 1.00 0.00 C -ATOM 4023 OG1 THR B 160 69.398 22.116 -14.362 1.00 0.00 O -ATOM 4024 CG2 THR B 160 71.080 20.449 -13.932 1.00 0.00 C -ATOM 4025 N TRP B 161 68.929 22.637 -17.375 1.00 0.00 N -ATOM 4026 CA TRP B 161 67.822 23.065 -18.218 1.00 0.00 C -ATOM 4027 C TRP B 161 68.132 22.836 -19.670 1.00 0.00 C -ATOM 4028 O TRP B 161 67.233 22.755 -20.481 1.00 0.00 O -ATOM 4029 CB TRP B 161 67.523 24.538 -18.022 1.00 0.00 C -ATOM 4030 CG TRP B 161 66.728 24.833 -16.807 1.00 0.00 C -ATOM 4031 CD1 TRP B 161 67.203 25.033 -15.541 1.00 0.00 C -ATOM 4032 CD2 TRP B 161 65.298 24.973 -16.731 1.00 0.00 C -ATOM 4033 NE1 TRP B 161 66.157 25.294 -14.682 1.00 0.00 N -ATOM 4034 CE2 TRP B 161 64.977 25.261 -15.385 1.00 0.00 C -ATOM 4035 CE3 TRP B 161 64.256 24.882 -17.670 1.00 0.00 C -ATOM 4036 CZ2 TRP B 161 63.656 25.460 -14.954 1.00 0.00 C -ATOM 4037 CZ3 TRP B 161 62.944 25.081 -17.239 1.00 0.00 C -ATOM 4038 CH2 TRP B 161 62.658 25.367 -15.891 1.00 0.00 C -ATOM 4039 N VAL B 162 69.405 22.746 -20.007 1.00 1.16 N -ATOM 4040 CA VAL B 162 69.777 22.540 -21.391 1.00 1.16 C -ATOM 4041 C VAL B 162 69.592 21.116 -21.745 1.00 1.16 C -ATOM 4042 O VAL B 162 69.190 20.808 -22.848 1.00 1.16 O -ATOM 4043 CB VAL B 162 71.228 22.891 -21.632 1.00 1.16 C -ATOM 4044 CG1 VAL B 162 71.592 22.581 -23.073 1.00 1.16 C -ATOM 4045 CG2 VAL B 162 71.455 24.352 -21.315 1.00 1.16 C -ATOM 4046 N MET B 163 69.915 20.242 -20.809 1.00 0.02 N -ATOM 4047 CA MET B 163 69.770 18.820 -21.030 1.00 0.02 C -ATOM 4048 C MET B 163 68.302 18.475 -21.000 1.00 0.02 C -ATOM 4049 O MET B 163 67.789 17.866 -21.946 1.00 0.02 O -ATOM 4050 CB MET B 163 70.514 18.068 -19.940 1.00 0.02 C -ATOM 4051 CG MET B 163 71.942 18.512 -19.812 1.00 0.02 C -ATOM 4052 SD MET B 163 72.697 18.501 -21.439 1.00 0.02 S -ATOM 4053 CE MET B 163 73.150 16.725 -21.561 1.00 0.02 C -ATOM 4054 N ALA B 164 67.628 18.872 -19.923 1.00 2.03 N -ATOM 4055 CA ALA B 164 66.207 18.614 -19.767 1.00 2.03 C -ATOM 4056 C ALA B 164 65.489 19.000 -21.032 1.00 2.03 C -ATOM 4057 O ALA B 164 64.724 18.207 -21.555 1.00 2.03 O -ATOM 4058 CB ALA B 164 65.668 19.395 -18.599 1.00 2.03 C -ATOM 4059 N LEU B 165 65.736 20.202 -21.538 1.00 0.72 N -ATOM 4060 CA LEU B 165 65.079 20.641 -22.764 1.00 0.72 C -ATOM 4061 C LEU B 165 65.476 19.768 -23.938 1.00 0.72 C -ATOM 4062 O LEU B 165 64.627 19.422 -24.772 1.00 0.72 O -ATOM 4063 CB LEU B 165 65.424 22.095 -23.083 1.00 0.72 C -ATOM 4064 CG LEU B 165 64.533 23.194 -22.498 1.00 0.72 C -ATOM 4065 CD1 LEU B 165 63.089 22.996 -22.930 1.00 0.72 C -ATOM 4066 CD2 LEU B 165 64.629 23.164 -21.005 1.00 0.72 C -ATOM 4067 N ALA B 166 66.756 19.419 -24.009 1.00 0.02 N -ATOM 4068 CA ALA B 166 67.267 18.590 -25.091 1.00 0.02 C -ATOM 4069 C ALA B 166 66.391 17.376 -25.243 1.00 0.02 C -ATOM 4070 O ALA B 166 66.284 16.832 -26.339 1.00 0.02 O -ATOM 4071 CB ALA B 166 68.692 18.170 -24.796 1.00 0.02 C -ATOM 4072 N CYS B 167 65.766 16.947 -24.152 1.00 7.66 N -ATOM 4073 CA CYS B 167 64.891 15.784 -24.193 1.00 7.66 C -ATOM 4074 C CYS B 167 63.429 16.213 -24.247 1.00 7.66 C -ATOM 4075 O CYS B 167 62.704 15.869 -25.162 1.00 7.66 O -ATOM 4076 CB CYS B 167 65.123 14.914 -22.961 1.00 7.66 C -ATOM 4077 SG CYS B 167 65.001 13.151 -23.339 1.00 7.66 S -ATOM 4078 N ALA B 168 63.003 16.997 -23.280 1.00 0.67 N -ATOM 4079 CA ALA B 168 61.620 17.400 -23.229 1.00 0.67 C -ATOM 4080 C ALA B 168 61.176 18.125 -24.453 1.00 0.67 C -ATOM 4081 O ALA B 168 60.011 18.038 -24.793 1.00 0.67 O -ATOM 4082 CB ALA B 168 61.383 18.271 -22.001 1.00 0.67 C -ATOM 4083 N ALA B 169 62.081 18.795 -25.149 1.00 0.14 N -ATOM 4084 CA ALA B 169 61.660 19.637 -26.267 1.00 0.14 C -ATOM 4085 C ALA B 169 61.474 18.980 -27.645 1.00 0.14 C -ATOM 4086 O ALA B 169 60.486 19.285 -28.338 1.00 0.14 O -ATOM 4087 CB ALA B 169 62.599 20.821 -26.366 1.00 0.14 C -ATOM 4088 N PRO B 170 62.391 18.102 -28.074 1.00 1.24 N -ATOM 4089 CA PRO B 170 62.268 17.451 -29.388 1.00 1.24 C -ATOM 4090 C PRO B 170 60.878 16.957 -29.790 1.00 1.24 C -ATOM 4091 O PRO B 170 60.393 17.297 -30.864 1.00 1.24 O -ATOM 4092 CB PRO B 170 63.283 16.316 -29.302 1.00 1.24 C -ATOM 4093 CG PRO B 170 64.355 16.903 -28.444 1.00 1.24 C -ATOM 4094 CD PRO B 170 63.572 17.604 -27.347 1.00 1.24 C -ATOM 4095 N PRO B 171 60.229 16.142 -28.942 1.00 0.00 N -ATOM 4096 CA PRO B 171 58.895 15.605 -29.225 1.00 0.00 C -ATOM 4097 C PRO B 171 57.894 16.647 -29.613 1.00 0.00 C -ATOM 4098 O PRO B 171 56.836 16.323 -30.140 1.00 0.00 O -ATOM 4099 CB PRO B 171 58.520 14.915 -27.918 1.00 0.00 C -ATOM 4100 CG PRO B 171 59.832 14.405 -27.431 1.00 0.00 C -ATOM 4101 CD PRO B 171 60.735 15.605 -27.662 1.00 0.00 C -ATOM 4102 N LEU B 172 58.218 17.903 -29.361 1.00 0.14 N -ATOM 4103 CA LEU B 172 57.288 18.975 -29.685 1.00 0.14 C -ATOM 4104 C LEU B 172 57.602 19.574 -31.040 1.00 0.14 C -ATOM 4105 O LEU B 172 56.775 20.313 -31.593 1.00 0.14 O -ATOM 4106 CB LEU B 172 57.368 20.080 -28.622 1.00 0.14 C -ATOM 4107 CG LEU B 172 56.989 19.764 -27.172 1.00 0.14 C -ATOM 4108 CD1 LEU B 172 57.693 20.731 -26.258 1.00 0.14 C -ATOM 4109 CD2 LEU B 172 55.482 19.827 -26.989 1.00 0.14 C -ATOM 4110 N VAL B 173 58.774 19.256 -31.587 1.00 0.23 N -ATOM 4111 CA VAL B 173 59.189 19.846 -32.858 1.00 0.23 C -ATOM 4112 C VAL B 173 59.458 18.805 -33.925 1.00 0.23 C -ATOM 4113 O VAL B 173 60.314 18.999 -34.788 1.00 0.23 O -ATOM 4114 CB VAL B 173 60.444 20.688 -32.653 1.00 0.23 C -ATOM 4115 CG1 VAL B 173 60.207 21.696 -31.552 1.00 0.23 C -ATOM 4116 CG2 VAL B 173 61.599 19.793 -32.295 1.00 0.23 C -ATOM 4117 N GLY B 174 58.757 17.687 -33.875 1.00 0.00 N -ATOM 4118 CA GLY B 174 58.973 16.722 -34.918 1.00 0.00 C -ATOM 4119 C GLY B 174 59.863 15.551 -34.622 1.00 0.00 C -ATOM 4120 O GLY B 174 59.955 14.662 -35.444 1.00 0.00 O -ATOM 4121 N TRP B 175 60.562 15.531 -33.502 1.00 0.00 N -ATOM 4122 CA TRP B 175 61.346 14.332 -33.246 1.00 0.00 C -ATOM 4123 C TRP B 175 60.661 13.589 -32.129 1.00 0.00 C -ATOM 4124 O TRP B 175 60.674 14.042 -30.975 1.00 0.00 O -ATOM 4125 CB TRP B 175 62.782 14.644 -32.882 1.00 0.00 C -ATOM 4126 CG TRP B 175 63.608 13.396 -32.860 1.00 0.00 C -ATOM 4127 CD1 TRP B 175 63.265 12.169 -33.377 1.00 0.00 C -ATOM 4128 CD2 TRP B 175 64.919 13.246 -32.305 1.00 0.00 C -ATOM 4129 NE1 TRP B 175 64.288 11.265 -33.172 1.00 0.00 N -ATOM 4130 CE2 TRP B 175 65.314 11.899 -32.518 1.00 0.00 C -ATOM 4131 CE3 TRP B 175 65.802 14.116 -31.647 1.00 0.00 C -ATOM 4132 CZ2 TRP B 175 66.554 11.405 -32.094 1.00 0.00 C -ATOM 4133 CZ3 TRP B 175 67.032 13.624 -31.228 1.00 0.00 C -ATOM 4134 CH2 TRP B 175 67.398 12.277 -31.454 1.00 0.00 C -ATOM 4135 N SER B 176 60.069 12.449 -32.485 1.00 0.00 N -ATOM 4136 CA SER B 176 59.282 11.645 -31.567 1.00 0.00 C -ATOM 4137 C SER B 176 58.023 12.447 -31.282 1.00 0.00 C -ATOM 4138 O SER B 176 57.782 13.472 -31.947 1.00 0.00 O -ATOM 4139 CB SER B 176 60.041 11.371 -30.276 1.00 0.00 C -ATOM 4140 OG SER B 176 59.263 10.551 -29.427 1.00 0.00 O -ATOM 4141 N ARG B 177 57.226 12.016 -30.313 1.00 0.00 N -ATOM 4142 CA ARG B 177 55.994 12.736 -29.999 1.00 0.00 C -ATOM 4143 C ARG B 177 55.429 12.262 -28.666 1.00 0.00 C -ATOM 4144 O ARG B 177 55.776 11.160 -28.217 1.00 0.00 O -ATOM 4145 CB ARG B 177 54.965 12.505 -31.119 1.00 0.00 C -ATOM 4146 CG ARG B 177 54.625 11.036 -31.357 1.00 0.00 C -ATOM 4147 CD ARG B 177 53.617 10.852 -32.479 1.00 0.00 C -ATOM 4148 NE ARG B 177 53.148 9.471 -32.582 1.00 0.00 N -ATOM 4149 CZ ARG B 177 52.185 9.074 -33.409 1.00 0.00 C -ATOM 4150 NH1 ARG B 177 51.589 9.953 -34.211 1.00 0.00 N -ATOM 4151 NH2 ARG B 177 51.803 7.804 -33.424 1.00 0.00 N -ATOM 4152 N TYR B 178 54.592 13.085 -28.029 1.00 0.89 N -ATOM 4153 CA TYR B 178 53.963 12.709 -26.756 1.00 0.89 C -ATOM 4154 C TYR B 178 52.640 12.005 -27.093 1.00 0.89 C -ATOM 4155 O TYR B 178 51.908 12.458 -27.988 1.00 0.89 O -ATOM 4156 CB TYR B 178 53.731 13.950 -25.868 1.00 0.89 C -ATOM 4157 CG TYR B 178 55.008 14.542 -25.279 1.00 0.89 C -ATOM 4158 CD1 TYR B 178 55.777 13.822 -24.364 1.00 0.89 C -ATOM 4159 CD2 TYR B 178 55.481 15.800 -25.681 1.00 0.89 C -ATOM 4160 CE1 TYR B 178 56.987 14.336 -23.867 1.00 0.89 C -ATOM 4161 CE2 TYR B 178 56.699 16.316 -25.185 1.00 0.89 C -ATOM 4162 CZ TYR B 178 57.438 15.576 -24.282 1.00 0.89 C -ATOM 4163 OH TYR B 178 58.628 16.058 -23.790 1.00 0.89 O -ATOM 4164 N ILE B 179 52.338 10.903 -26.408 1.00 0.05 N -ATOM 4165 CA ILE B 179 51.114 10.140 -26.704 1.00 0.05 C -ATOM 4166 C ILE B 179 50.484 9.664 -25.399 1.00 0.05 C -ATOM 4167 O ILE B 179 51.201 9.400 -24.445 1.00 0.05 O -ATOM 4168 CB ILE B 179 51.464 8.925 -27.607 1.00 0.05 C -ATOM 4169 CG1 ILE B 179 50.223 8.402 -28.328 1.00 0.05 C -ATOM 4170 CG2 ILE B 179 52.108 7.823 -26.769 1.00 0.05 C -ATOM 4171 CD1 ILE B 179 50.565 7.362 -29.405 1.00 0.05 C -ATOM 4172 N PRO B 180 49.148 9.574 -25.332 1.00 0.00 N -ATOM 4173 CA PRO B 180 48.602 9.115 -24.048 1.00 0.00 C -ATOM 4174 C PRO B 180 48.990 7.710 -23.661 1.00 0.00 C -ATOM 4175 O PRO B 180 49.196 6.891 -24.560 1.00 0.00 O -ATOM 4176 CB PRO B 180 47.085 9.309 -24.210 1.00 0.00 C -ATOM 4177 CG PRO B 180 46.882 9.666 -25.678 1.00 0.00 C -ATOM 4178 CD PRO B 180 48.140 10.303 -26.118 1.00 0.00 C -ATOM 4179 N GLU B 181 49.111 7.440 -22.348 1.00 2.88 N -ATOM 4180 CA GLU B 181 49.481 6.111 -21.850 1.00 2.88 C -ATOM 4181 C GLU B 181 48.480 5.573 -20.839 1.00 2.88 C -ATOM 4182 O GLU B 181 47.718 6.337 -20.239 1.00 2.88 O -ATOM 4183 CB GLU B 181 50.849 6.151 -21.170 1.00 2.88 C -ATOM 4184 CG GLU B 181 51.968 6.837 -21.941 1.00 2.88 C -ATOM 4185 CD GLU B 181 53.348 6.533 -21.352 1.00 2.88 C -ATOM 4186 OE1 GLU B 181 53.803 5.376 -21.490 1.00 2.88 O -ATOM 4187 OE2 GLU B 181 53.973 7.441 -20.749 1.00 2.88 O -ATOM 4188 N GLY B 182 48.511 4.255 -20.651 1.00 0.00 N -ATOM 4189 CA GLY B 182 47.647 3.598 -19.689 1.00 0.00 C -ATOM 4190 C GLY B 182 46.174 3.829 -19.871 1.00 0.00 C -ATOM 4191 O GLY B 182 45.605 3.384 -20.852 1.00 0.00 O -ATOM 4192 N MET B 183 45.545 4.499 -18.913 1.00 0.09 N -ATOM 4193 CA MET B 183 44.121 4.790 -19.014 1.00 0.09 C -ATOM 4194 C MET B 183 43.926 6.007 -19.887 1.00 0.09 C -ATOM 4195 O MET B 183 42.836 6.561 -19.954 1.00 0.09 O -ATOM 4196 CB MET B 183 43.522 5.014 -17.632 1.00 0.09 C -ATOM 4197 CG MET B 183 43.300 3.725 -16.867 1.00 0.09 C -ATOM 4198 SD MET B 183 42.885 3.984 -15.132 1.00 0.09 S -ATOM 4199 CE MET B 183 44.223 3.182 -14.389 1.00 0.09 C -ATOM 4200 N GLN B 184 45.014 6.405 -20.543 1.00 2.41 N -ATOM 4201 CA GLN B 184 45.054 7.522 -21.484 1.00 2.41 C -ATOM 4202 C GLN B 184 44.820 8.846 -20.795 1.00 2.41 C -ATOM 4203 O GLN B 184 44.293 9.778 -21.414 1.00 2.41 O -ATOM 4204 CB GLN B 184 44.018 7.292 -22.588 1.00 2.41 C -ATOM 4205 CG GLN B 184 44.034 5.881 -23.157 1.00 2.41 C -ATOM 4206 CD GLN B 184 45.242 5.604 -24.014 1.00 2.41 C -ATOM 4207 OE1 GLN B 184 45.420 6.221 -25.036 1.00 2.41 O -ATOM 4208 NE2 GLN B 184 46.075 4.666 -23.593 1.00 2.41 N -ATOM 4209 N CYS B 185 45.219 8.946 -19.531 1.00 0.02 N -ATOM 4210 CA CYS B 185 45.032 10.188 -18.788 1.00 0.02 C -ATOM 4211 C CYS B 185 46.327 10.908 -18.578 1.00 0.02 C -ATOM 4212 O CYS B 185 46.322 12.005 -18.055 1.00 0.02 O -ATOM 4213 CB CYS B 185 44.349 9.923 -17.449 1.00 0.02 C -ATOM 4214 SG CYS B 185 42.553 9.633 -17.651 1.00 0.02 S -ATOM 4215 N SER B 186 47.429 10.285 -18.968 1.00 0.17 N -ATOM 4216 CA SER B 186 48.746 10.892 -18.878 1.00 0.17 C -ATOM 4217 C SER B 186 49.349 10.758 -20.253 1.00 0.17 C -ATOM 4218 O SER B 186 48.860 9.942 -21.025 1.00 0.17 O -ATOM 4219 CB SER B 186 49.619 10.175 -17.832 1.00 0.17 C -ATOM 4220 OG SER B 186 49.756 8.782 -18.093 1.00 0.17 O -ATOM 4221 N CYS B 187 50.375 11.545 -20.572 1.00 0.00 N -ATOM 4222 CA CYS B 187 51.040 11.474 -21.880 1.00 0.00 C -ATOM 4223 C CYS B 187 52.535 11.255 -21.716 1.00 0.00 C -ATOM 4224 O CYS B 187 53.141 11.811 -20.802 1.00 0.00 O -ATOM 4225 CB CYS B 187 50.760 12.756 -22.690 1.00 0.00 C -ATOM 4226 SG CYS B 187 49.233 12.555 -23.664 1.00 0.00 S -ATOM 4227 N GLY B 188 53.125 10.441 -22.587 1.00 0.87 N -ATOM 4228 CA GLY B 188 54.560 10.177 -22.512 1.00 0.87 C -ATOM 4229 C GLY B 188 55.218 10.060 -23.882 1.00 0.87 C -ATOM 4230 O GLY B 188 54.560 10.278 -24.904 1.00 0.87 O -ATOM 4231 N ILE B 189 56.526 9.795 -23.906 1.00 0.56 N -ATOM 4232 CA ILE B 189 57.250 9.637 -25.166 1.00 0.56 C -ATOM 4233 C ILE B 189 56.667 8.437 -25.890 1.00 0.56 C -ATOM 4234 O ILE B 189 56.233 7.494 -25.215 1.00 0.56 O -ATOM 4235 CB ILE B 189 58.740 9.432 -24.893 1.00 0.56 C -ATOM 4236 CG1 ILE B 189 59.359 10.765 -24.493 1.00 0.56 C -ATOM 4237 CG2 ILE B 189 59.424 8.841 -26.092 1.00 0.56 C -ATOM 4238 CD1 ILE B 189 59.071 11.894 -25.481 1.00 0.56 C -ATOM 4239 N ASP B 190 56.641 8.455 -27.228 1.00 0.00 N -ATOM 4240 CA ASP B 190 56.043 7.355 -28.019 1.00 0.00 C -ATOM 4241 C ASP B 190 56.890 6.060 -28.028 1.00 0.00 C -ATOM 4242 O ASP B 190 57.765 5.932 -28.888 1.00 0.00 O -ATOM 4243 CB ASP B 190 55.814 7.816 -29.467 1.00 0.00 C -ATOM 4244 CG ASP B 190 54.762 6.988 -30.181 1.00 0.00 C -ATOM 4245 OD1 ASP B 190 54.467 5.876 -29.703 1.00 0.00 O -ATOM 4246 OD2 ASP B 190 54.234 7.443 -31.222 1.00 0.00 O -ATOM 4247 N TYR B 191 56.625 5.119 -27.111 1.00 0.00 N -ATOM 4248 CA TYR B 191 57.359 3.847 -27.049 1.00 0.00 C -ATOM 4249 C TYR B 191 56.576 2.822 -27.828 1.00 0.00 C -ATOM 4250 O TYR B 191 57.096 1.788 -28.248 1.00 0.00 O -ATOM 4251 CB TYR B 191 57.448 3.323 -25.612 1.00 0.00 C -ATOM 4252 CG TYR B 191 57.689 4.372 -24.562 1.00 0.00 C -ATOM 4253 CD1 TYR B 191 58.863 5.132 -24.557 1.00 0.00 C -ATOM 4254 CD2 TYR B 191 56.732 4.637 -23.584 1.00 0.00 C -ATOM 4255 CE1 TYR B 191 59.072 6.140 -23.597 1.00 0.00 C -ATOM 4256 CE2 TYR B 191 56.935 5.645 -22.624 1.00 0.00 C -ATOM 4257 CZ TYR B 191 58.103 6.391 -22.642 1.00 0.00 C -ATOM 4258 OH TYR B 191 58.284 7.407 -21.743 1.00 0.00 O -ATOM 4259 N TYR B 192 55.312 3.142 -28.026 1.00 0.00 N -ATOM 4260 CA TYR B 192 54.363 2.250 -28.662 1.00 0.00 C -ATOM 4261 C TYR B 192 54.575 1.977 -30.144 1.00 0.00 C -ATOM 4262 O TYR B 192 54.751 0.812 -30.506 1.00 0.00 O -ATOM 4263 CB TYR B 192 52.953 2.785 -28.374 1.00 0.00 C -ATOM 4264 CG TYR B 192 52.781 3.013 -26.888 1.00 0.00 C -ATOM 4265 CD1 TYR B 192 53.216 4.199 -26.290 1.00 0.00 C -ATOM 4266 CD2 TYR B 192 52.278 1.998 -26.056 1.00 0.00 C -ATOM 4267 CE1 TYR B 192 53.158 4.368 -24.900 1.00 0.00 C -ATOM 4268 CE2 TYR B 192 52.220 2.160 -24.670 1.00 0.00 C -ATOM 4269 CZ TYR B 192 52.661 3.346 -24.106 1.00 0.00 C -ATOM 4270 OH TYR B 192 52.614 3.510 -22.749 1.00 0.00 O -ATOM 4271 N THR B 193 54.573 3.008 -30.982 1.00 0.11 N -ATOM 4272 CA THR B 193 54.682 2.821 -32.424 1.00 0.11 C -ATOM 4273 C THR B 193 56.014 3.264 -33.014 1.00 0.11 C -ATOM 4274 O THR B 193 56.761 4.037 -32.404 1.00 0.11 O -ATOM 4275 CB THR B 193 53.592 3.620 -33.138 1.00 0.11 C -ATOM 4276 OG1 THR B 193 53.880 5.016 -33.009 1.00 0.11 O -ATOM 4277 CG2 THR B 193 52.245 3.364 -32.509 1.00 0.11 C -ATOM 4278 N PRO B 194 56.336 2.754 -34.217 1.00 0.20 N -ATOM 4279 CA PRO B 194 57.583 3.127 -34.889 1.00 0.20 C -ATOM 4280 C PRO B 194 57.375 4.473 -35.617 1.00 0.20 C -ATOM 4281 O PRO B 194 58.339 5.190 -35.820 1.00 0.20 O -ATOM 4282 CB PRO B 194 57.806 1.973 -35.872 1.00 0.20 C -ATOM 4283 CG PRO B 194 57.042 0.822 -35.263 1.00 0.20 C -ATOM 4284 CD PRO B 194 55.795 1.508 -34.794 1.00 0.20 C -ATOM 4285 N HIS B 195 56.127 4.801 -35.974 1.00 0.16 N -ATOM 4286 CA HIS B 195 55.796 6.039 -36.693 1.00 0.16 C -ATOM 4287 C HIS B 195 57.064 6.620 -37.266 1.00 0.16 C -ATOM 4288 O HIS B 195 57.593 7.575 -36.717 1.00 0.16 O -ATOM 4289 CB HIS B 195 55.119 7.078 -35.768 1.00 0.16 C -ATOM 4290 CG HIS B 195 54.347 8.156 -36.496 1.00 0.16 C -ATOM 4291 ND1 HIS B 195 54.585 9.504 -36.309 1.00 0.16 N -ATOM 4292 CD2 HIS B 195 53.304 8.081 -37.362 1.00 0.16 C -ATOM 4293 CE1 HIS B 195 53.723 10.208 -37.023 1.00 0.16 C -ATOM 4294 NE2 HIS B 195 52.934 9.370 -37.671 1.00 0.16 N -ATOM 4295 N GLU B 196 57.572 6.011 -38.339 1.00 0.03 N -ATOM 4296 CA GLU B 196 58.789 6.491 -39.008 1.00 0.03 C -ATOM 4297 C GLU B 196 58.537 7.934 -39.408 1.00 0.03 C -ATOM 4298 O GLU B 196 59.456 8.746 -39.443 1.00 0.03 O -ATOM 4299 CB GLU B 196 59.095 5.642 -40.262 1.00 0.03 C -ATOM 4300 CG GLU B 196 59.437 4.172 -39.983 1.00 0.03 C -ATOM 4301 CD GLU B 196 59.219 3.267 -41.193 1.00 0.03 C -ATOM 4302 OE1 GLU B 196 59.577 3.679 -42.313 1.00 0.03 O -ATOM 4303 OE2 GLU B 196 58.699 2.139 -41.028 1.00 0.03 O -ATOM 4304 N GLU B 197 57.269 8.232 -39.682 1.00 0.49 N -ATOM 4305 CA GLU B 197 56.813 9.551 -40.086 1.00 0.49 C -ATOM 4306 C GLU B 197 57.378 10.582 -39.133 1.00 0.49 C -ATOM 4307 O GLU B 197 57.353 11.752 -39.450 1.00 0.49 O -ATOM 4308 CB GLU B 197 55.262 9.586 -40.064 1.00 0.49 C -ATOM 4309 CG GLU B 197 54.571 10.885 -40.574 1.00 0.49 C -ATOM 4310 CD GLU B 197 53.068 10.998 -40.157 1.00 0.49 C -ATOM 4311 OE1 GLU B 197 52.292 10.021 -40.347 1.00 0.49 O -ATOM 4312 OE2 GLU B 197 52.660 12.074 -39.642 1.00 0.49 O -ATOM 4313 N THR B 198 57.906 10.155 -37.986 1.00 2.59 N -ATOM 4314 CA THR B 198 58.413 11.103 -36.998 1.00 2.59 C -ATOM 4315 C THR B 198 59.633 10.564 -36.257 1.00 2.59 C -ATOM 4316 O THR B 198 60.024 11.125 -35.237 1.00 2.59 O -ATOM 4317 CB THR B 198 57.294 11.444 -36.001 1.00 2.59 C -ATOM 4318 OG1 THR B 198 57.607 12.668 -35.357 1.00 2.59 O -ATOM 4319 CG2 THR B 198 57.146 10.372 -34.951 1.00 2.59 C -ATOM 4320 N ASN B 199 60.216 9.486 -36.779 1.00 0.25 N -ATOM 4321 CA ASN B 199 61.407 8.848 -36.213 1.00 0.25 C -ATOM 4322 C ASN B 199 61.273 8.587 -34.774 1.00 0.25 C -ATOM 4323 O ASN B 199 62.021 9.174 -34.001 1.00 0.25 O -ATOM 4324 CB ASN B 199 62.635 9.719 -36.384 1.00 0.25 C -ATOM 4325 CG ASN B 199 63.182 9.654 -37.763 1.00 0.25 C -ATOM 4326 OD1 ASN B 199 63.118 10.631 -38.514 1.00 0.25 O -ATOM 4327 ND2 ASN B 199 63.724 8.485 -38.129 1.00 0.25 N -ATOM 4328 N ASN B 200 60.363 7.705 -34.392 1.00 0.28 N -ATOM 4329 CA ASN B 200 60.177 7.403 -32.982 1.00 0.28 C -ATOM 4330 C ASN B 200 61.340 6.577 -32.462 1.00 0.28 C -ATOM 4331 O ASN B 200 62.039 7.001 -31.533 1.00 0.28 O -ATOM 4332 CB ASN B 200 58.855 6.637 -32.749 1.00 0.28 C -ATOM 4333 CG ASN B 200 57.615 7.522 -32.890 1.00 0.28 C -ATOM 4334 OD1 ASN B 200 57.706 8.751 -32.945 1.00 0.28 O -ATOM 4335 ND2 ASN B 200 56.447 6.891 -32.934 1.00 0.28 N -ATOM 4336 N GLU B 201 61.555 5.416 -33.074 1.00 0.65 N -ATOM 4337 CA GLU B 201 62.589 4.473 -32.650 1.00 0.65 C -ATOM 4338 C GLU B 201 63.953 5.129 -32.365 1.00 0.65 C -ATOM 4339 O GLU B 201 64.659 4.708 -31.446 1.00 0.65 O -ATOM 4340 CB GLU B 201 62.691 3.361 -33.696 1.00 0.65 C -ATOM 4341 CG GLU B 201 61.335 2.690 -34.007 1.00 0.65 C -ATOM 4342 CD GLU B 201 61.083 1.386 -33.229 1.00 0.65 C -ATOM 4343 OE1 GLU B 201 62.067 0.681 -32.912 1.00 0.65 O -ATOM 4344 OE2 GLU B 201 59.900 1.051 -32.962 1.00 0.65 O -ATOM 4345 N SER B 202 64.320 6.154 -33.121 1.00 0.06 N -ATOM 4346 CA SER B 202 65.601 6.805 -32.893 1.00 0.06 C -ATOM 4347 C SER B 202 65.572 7.627 -31.622 1.00 0.06 C -ATOM 4348 O SER B 202 66.455 7.462 -30.801 1.00 0.06 O -ATOM 4349 CB SER B 202 65.990 7.697 -34.084 1.00 0.06 C -ATOM 4350 OG SER B 202 65.067 8.755 -34.308 1.00 0.06 O -ATOM 4351 N PHE B 203 64.573 8.487 -31.437 1.00 0.75 N -ATOM 4352 CA PHE B 203 64.529 9.317 -30.240 1.00 0.75 C -ATOM 4353 C PHE B 203 64.525 8.493 -28.976 1.00 0.75 C -ATOM 4354 O PHE B 203 65.101 8.903 -27.976 1.00 0.75 O -ATOM 4355 CB PHE B 203 63.296 10.205 -30.222 1.00 0.75 C -ATOM 4356 CG PHE B 203 63.273 11.150 -29.056 1.00 0.75 C -ATOM 4357 CD1 PHE B 203 63.845 12.418 -29.157 1.00 0.75 C -ATOM 4358 CD2 PHE B 203 62.756 10.751 -27.833 1.00 0.75 C -ATOM 4359 CE1 PHE B 203 63.906 13.269 -28.056 1.00 0.75 C -ATOM 4360 CE2 PHE B 203 62.818 11.593 -26.731 1.00 0.75 C -ATOM 4361 CZ PHE B 203 63.394 12.853 -26.842 1.00 0.75 C -ATOM 4362 N VAL B 204 63.871 7.343 -29.013 1.00 0.00 N -ATOM 4363 CA VAL B 204 63.770 6.486 -27.839 1.00 0.00 C -ATOM 4364 C VAL B 204 65.125 5.942 -27.408 1.00 0.00 C -ATOM 4365 O VAL B 204 65.394 5.864 -26.222 1.00 0.00 O -ATOM 4366 CB VAL B 204 62.773 5.323 -28.103 1.00 0.00 C -ATOM 4367 CG1 VAL B 204 62.866 4.289 -26.994 1.00 0.00 C -ATOM 4368 CG2 VAL B 204 61.351 5.876 -28.219 1.00 0.00 C -ATOM 4369 N ILE B 205 65.974 5.564 -28.354 1.00 0.04 N -ATOM 4370 CA ILE B 205 67.295 5.036 -28.017 1.00 0.04 C -ATOM 4371 C ILE B 205 68.164 6.180 -27.504 1.00 0.04 C -ATOM 4372 O ILE B 205 69.027 6.000 -26.636 1.00 0.04 O -ATOM 4373 CB ILE B 205 67.931 4.399 -29.263 1.00 0.04 C -ATOM 4374 CG1 ILE B 205 66.988 3.323 -29.804 1.00 0.04 C -ATOM 4375 CG2 ILE B 205 69.285 3.803 -28.921 1.00 0.04 C -ATOM 4376 CD1 ILE B 205 67.406 2.733 -31.115 1.00 0.04 C -ATOM 4377 N TYR B 206 67.894 7.361 -28.044 1.00 0.69 N -ATOM 4378 CA TYR B 206 68.591 8.606 -27.711 1.00 0.69 C -ATOM 4379 C TYR B 206 68.330 8.956 -26.283 1.00 0.69 C -ATOM 4380 O TYR B 206 69.239 9.371 -25.570 1.00 0.69 O -ATOM 4381 CB TYR B 206 68.068 9.740 -28.600 1.00 0.69 C -ATOM 4382 CG TYR B 206 68.112 11.131 -27.984 1.00 0.69 C -ATOM 4383 CD1 TYR B 206 69.312 11.836 -27.887 1.00 0.69 C -ATOM 4384 CD2 TYR B 206 66.935 11.769 -27.555 1.00 0.69 C -ATOM 4385 CE1 TYR B 206 69.344 13.145 -27.392 1.00 0.69 C -ATOM 4386 CE2 TYR B 206 66.952 13.073 -27.058 1.00 0.69 C -ATOM 4387 CZ TYR B 206 68.163 13.759 -26.984 1.00 0.69 C -ATOM 4388 OH TYR B 206 68.205 15.060 -26.530 1.00 0.69 O -ATOM 4389 N MET B 207 67.073 8.793 -25.879 1.00 0.77 N -ATOM 4390 CA MET B 207 66.634 9.117 -24.534 1.00 0.77 C -ATOM 4391 C MET B 207 67.063 8.068 -23.519 1.00 0.77 C -ATOM 4392 O MET B 207 67.325 8.434 -22.385 1.00 0.77 O -ATOM 4393 CB MET B 207 65.113 9.286 -24.513 1.00 0.77 C -ATOM 4394 CG MET B 207 64.540 9.597 -23.145 1.00 0.77 C -ATOM 4395 SD MET B 207 62.752 9.390 -23.092 1.00 0.77 S -ATOM 4396 CE MET B 207 62.594 7.582 -22.928 1.00 0.77 C -ATOM 4397 N PHE B 208 67.145 6.792 -23.889 1.00 8.70 N -ATOM 4398 CA PHE B 208 67.554 5.789 -22.912 1.00 8.70 C -ATOM 4399 C PHE B 208 69.054 5.717 -22.773 1.00 8.70 C -ATOM 4400 O PHE B 208 69.533 5.113 -21.825 1.00 8.70 O -ATOM 4401 CB PHE B 208 67.002 4.421 -23.272 1.00 8.70 C -ATOM 4402 CG PHE B 208 65.670 4.137 -22.649 1.00 8.70 C -ATOM 4403 CD1 PHE B 208 65.551 3.973 -21.272 1.00 8.70 C -ATOM 4404 CD2 PHE B 208 64.529 4.029 -23.430 1.00 8.70 C -ATOM 4405 CE1 PHE B 208 64.315 3.704 -20.682 1.00 8.70 C -ATOM 4406 CE2 PHE B 208 63.295 3.762 -22.853 1.00 8.70 C -ATOM 4407 CZ PHE B 208 63.189 3.598 -21.474 1.00 8.70 C -ATOM 4408 N VAL B 209 69.795 6.330 -23.694 1.00 0.08 N -ATOM 4409 CA VAL B 209 71.257 6.321 -23.612 1.00 0.08 C -ATOM 4410 C VAL B 209 71.780 7.658 -23.063 1.00 0.08 C -ATOM 4411 O VAL B 209 72.434 7.673 -22.020 1.00 0.08 O -ATOM 4412 CB VAL B 209 71.893 6.034 -24.989 1.00 0.08 C -ATOM 4413 CG1 VAL B 209 73.389 6.049 -24.858 1.00 0.08 C -ATOM 4414 CG2 VAL B 209 71.433 4.682 -25.516 1.00 0.08 C -ATOM 4415 N VAL B 210 71.478 8.761 -23.744 1.00 0.05 N -ATOM 4416 CA VAL B 210 71.917 10.090 -23.314 1.00 0.05 C -ATOM 4417 C VAL B 210 71.272 10.525 -22.007 1.00 0.05 C -ATOM 4418 O VAL B 210 71.983 10.862 -21.064 1.00 0.05 O -ATOM 4419 CB VAL B 210 71.568 11.179 -24.358 1.00 0.05 C -ATOM 4420 CG1 VAL B 210 71.879 12.556 -23.803 1.00 0.05 C -ATOM 4421 CG2 VAL B 210 72.341 10.947 -25.631 1.00 0.05 C -ATOM 4422 N HIS B 211 69.940 10.509 -21.953 1.00 4.08 N -ATOM 4423 CA HIS B 211 69.188 10.977 -20.788 1.00 4.08 C -ATOM 4424 C HIS B 211 68.738 9.906 -19.806 1.00 4.08 C -ATOM 4425 O HIS B 211 67.683 10.056 -19.197 1.00 4.08 O -ATOM 4426 CB HIS B 211 67.982 11.770 -21.269 1.00 4.08 C -ATOM 4427 CG HIS B 211 68.338 12.915 -22.168 1.00 4.08 C -ATOM 4428 ND1 HIS B 211 69.043 14.015 -21.732 1.00 4.08 N -ATOM 4429 CD2 HIS B 211 68.068 13.138 -23.476 1.00 4.08 C -ATOM 4430 CE1 HIS B 211 69.187 14.870 -22.729 1.00 4.08 C -ATOM 4431 NE2 HIS B 211 68.603 14.363 -23.799 1.00 4.08 N -ATOM 4432 N PHE B 212 69.517 8.850 -19.629 1.00 0.00 N -ATOM 4433 CA PHE B 212 69.162 7.829 -18.658 1.00 0.00 C -ATOM 4434 C PHE B 212 70.365 7.000 -18.328 1.00 0.00 C -ATOM 4435 O PHE B 212 70.907 7.123 -17.236 1.00 0.00 O -ATOM 4436 CB PHE B 212 68.028 6.926 -19.159 1.00 0.00 C -ATOM 4437 CG PHE B 212 67.665 5.806 -18.199 1.00 0.00 C -ATOM 4438 CD1 PHE B 212 67.315 6.079 -16.880 1.00 0.00 C -ATOM 4439 CD2 PHE B 212 67.680 4.476 -18.617 1.00 0.00 C -ATOM 4440 CE1 PHE B 212 66.982 5.051 -15.983 1.00 0.00 C -ATOM 4441 CE2 PHE B 212 67.352 3.431 -17.734 1.00 0.00 C -ATOM 4442 CZ PHE B 212 67.002 3.722 -16.413 1.00 0.00 C -ATOM 4443 N ILE B 213 70.795 6.146 -19.239 1.00 0.88 N -ATOM 4444 CA ILE B 213 71.925 5.297 -18.924 1.00 0.88 C -ATOM 4445 C ILE B 213 73.180 6.089 -18.587 1.00 0.88 C -ATOM 4446 O ILE B 213 73.845 5.749 -17.623 1.00 0.88 O -ATOM 4447 CB ILE B 213 72.209 4.318 -20.065 1.00 0.88 C -ATOM 4448 CG1 ILE B 213 70.969 3.458 -20.342 1.00 0.88 C -ATOM 4449 CG2 ILE B 213 73.322 3.391 -19.649 1.00 0.88 C -ATOM 4450 CD1 ILE B 213 71.043 2.631 -21.620 1.00 0.88 C -ATOM 4451 N ILE B 214 73.499 7.141 -19.331 1.00 0.46 N -ATOM 4452 CA ILE B 214 74.720 7.894 -19.046 1.00 0.46 C -ATOM 4453 C ILE B 214 74.693 8.541 -17.667 1.00 0.46 C -ATOM 4454 O ILE B 214 75.492 8.168 -16.801 1.00 0.46 O -ATOM 4455 CB ILE B 214 74.996 9.014 -20.104 1.00 0.46 C -ATOM 4456 CG1 ILE B 214 75.195 8.412 -21.497 1.00 0.46 C -ATOM 4457 CG2 ILE B 214 76.249 9.796 -19.717 1.00 0.46 C -ATOM 4458 CD1 ILE B 214 75.533 9.432 -22.584 1.00 0.46 C -ATOM 4459 N PRO B 215 73.784 9.511 -17.440 1.00 0.00 N -ATOM 4460 CA PRO B 215 73.733 10.171 -16.135 1.00 0.00 C -ATOM 4461 C PRO B 215 73.789 9.226 -14.972 1.00 0.00 C -ATOM 4462 O PRO B 215 74.440 9.525 -13.979 1.00 0.00 O -ATOM 4463 CB PRO B 215 72.429 10.964 -16.199 1.00 0.00 C -ATOM 4464 CG PRO B 215 72.331 11.328 -17.656 1.00 0.00 C -ATOM 4465 CD PRO B 215 72.699 10.002 -18.313 1.00 0.00 C -ATOM 4466 N LEU B 216 73.123 8.089 -15.082 1.00 0.01 N -ATOM 4467 CA LEU B 216 73.145 7.139 -13.989 1.00 0.01 C -ATOM 4468 C LEU B 216 74.542 6.614 -13.796 1.00 0.01 C -ATOM 4469 O LEU B 216 74.953 6.383 -12.659 1.00 0.01 O -ATOM 4470 CB LEU B 216 72.173 5.987 -14.248 1.00 0.01 C -ATOM 4471 CG LEU B 216 70.810 6.272 -13.629 1.00 0.01 C -ATOM 4472 CD1 LEU B 216 70.977 6.424 -12.132 1.00 0.01 C -ATOM 4473 CD2 LEU B 216 70.232 7.543 -14.209 1.00 0.01 C -ATOM 4474 N ILE B 217 75.273 6.431 -14.892 1.00 0.46 N -ATOM 4475 CA ILE B 217 76.648 5.928 -14.825 1.00 0.46 C -ATOM 4476 C ILE B 217 77.505 6.915 -14.032 1.00 0.46 C -ATOM 4477 O ILE B 217 78.138 6.527 -13.039 1.00 0.46 O -ATOM 4478 CB ILE B 217 77.250 5.737 -16.258 1.00 0.46 C -ATOM 4479 CG1 ILE B 217 76.554 4.584 -16.983 1.00 0.46 C -ATOM 4480 CG2 ILE B 217 78.727 5.421 -16.169 1.00 0.46 C -ATOM 4481 CD1 ILE B 217 77.043 4.392 -18.390 1.00 0.46 C -ATOM 4482 N VAL B 218 77.512 8.174 -14.468 1.00 0.01 N -ATOM 4483 CA VAL B 218 78.264 9.230 -13.804 1.00 0.01 C -ATOM 4484 C VAL B 218 78.000 9.198 -12.331 1.00 0.01 C -ATOM 4485 O VAL B 218 78.889 8.955 -11.534 1.00 0.01 O -ATOM 4486 CB VAL B 218 77.820 10.604 -14.280 1.00 0.01 C -ATOM 4487 CG1 VAL B 218 78.381 11.673 -13.346 1.00 0.01 C -ATOM 4488 CG2 VAL B 218 78.254 10.820 -15.721 1.00 0.01 C -ATOM 4489 N ILE B 219 76.755 9.475 -11.984 1.00 0.23 N -ATOM 4490 CA ILE B 219 76.310 9.505 -10.608 1.00 0.23 C -ATOM 4491 C ILE B 219 76.764 8.263 -9.872 1.00 0.23 C -ATOM 4492 O ILE B 219 77.335 8.366 -8.793 1.00 0.23 O -ATOM 4493 CB ILE B 219 74.781 9.646 -10.583 1.00 0.23 C -ATOM 4494 CG1 ILE B 219 74.403 10.992 -11.220 1.00 0.23 C -ATOM 4495 CG2 ILE B 219 74.266 9.520 -9.169 1.00 0.23 C -ATOM 4496 CD1 ILE B 219 72.954 11.155 -11.551 1.00 0.23 C -ATOM 4497 N PHE B 220 76.525 7.098 -10.454 1.00 0.13 N -ATOM 4498 CA PHE B 220 76.926 5.850 -9.822 1.00 0.13 C -ATOM 4499 C PHE B 220 78.413 5.762 -9.699 1.00 0.13 C -ATOM 4500 O PHE B 220 78.936 5.226 -8.712 1.00 0.13 O -ATOM 4501 CB PHE B 220 76.441 4.681 -10.640 1.00 0.13 C -ATOM 4502 CG PHE B 220 75.114 4.197 -10.227 1.00 0.13 C -ATOM 4503 CD1 PHE B 220 74.964 3.530 -9.020 1.00 0.13 C -ATOM 4504 CD2 PHE B 220 74.005 4.414 -11.034 1.00 0.13 C -ATOM 4505 CE1 PHE B 220 73.728 3.083 -8.620 1.00 0.13 C -ATOM 4506 CE2 PHE B 220 72.761 3.973 -10.649 1.00 0.13 C -ATOM 4507 CZ PHE B 220 72.615 3.303 -9.437 1.00 0.13 C -ATOM 4508 N PHE B 221 79.102 6.261 -10.714 1.00 0.00 N -ATOM 4509 CA PHE B 221 80.549 6.248 -10.718 1.00 0.00 C -ATOM 4510 C PHE B 221 81.059 7.136 -9.602 1.00 0.00 C -ATOM 4511 O PHE B 221 81.713 6.656 -8.686 1.00 0.00 O -ATOM 4512 CB PHE B 221 81.062 6.747 -12.067 1.00 0.00 C -ATOM 4513 CG PHE B 221 82.537 6.977 -12.096 1.00 0.00 C -ATOM 4514 CD1 PHE B 221 83.095 8.090 -11.456 1.00 0.00 C -ATOM 4515 CD2 PHE B 221 83.379 6.056 -12.714 1.00 0.00 C -ATOM 4516 CE1 PHE B 221 84.467 8.282 -11.422 1.00 0.00 C -ATOM 4517 CE2 PHE B 221 84.752 6.232 -12.690 1.00 0.00 C -ATOM 4518 CZ PHE B 221 85.302 7.351 -12.038 1.00 0.00 C -ATOM 4519 N CYS B 222 80.768 8.427 -9.699 1.00 0.60 N -ATOM 4520 CA CYS B 222 81.195 9.391 -8.703 1.00 0.60 C -ATOM 4521 C CYS B 222 80.815 8.895 -7.336 1.00 0.60 C -ATOM 4522 O CYS B 222 81.458 9.243 -6.353 1.00 0.60 O -ATOM 4523 CB CYS B 222 80.539 10.744 -8.977 1.00 0.60 C -ATOM 4524 SG CYS B 222 80.401 11.795 -7.515 1.00 0.60 S -ATOM 4525 N TYR B 223 79.766 8.090 -7.263 1.00 0.00 N -ATOM 4526 CA TYR B 223 79.365 7.560 -5.979 1.00 0.00 C -ATOM 4527 C TYR B 223 80.386 6.557 -5.556 1.00 0.00 C -ATOM 4528 O TYR B 223 80.466 6.219 -4.386 1.00 0.00 O -ATOM 4529 CB TYR B 223 78.019 6.869 -6.058 1.00 0.00 C -ATOM 4530 CG TYR B 223 77.760 6.058 -4.823 1.00 0.00 C -ATOM 4531 CD1 TYR B 223 77.448 6.675 -3.616 1.00 0.00 C -ATOM 4532 CD2 TYR B 223 77.875 4.673 -4.846 1.00 0.00 C -ATOM 4533 CE1 TYR B 223 77.255 5.929 -2.456 1.00 0.00 C -ATOM 4534 CE2 TYR B 223 77.686 3.914 -3.697 1.00 0.00 C -ATOM 4535 CZ TYR B 223 77.373 4.543 -2.503 1.00 0.00 C -ATOM 4536 OH TYR B 223 77.168 3.782 -1.366 1.00 0.00 O -ATOM 4537 N GLY B 224 81.148 6.056 -6.520 1.00100.00 N -ATOM 4538 CA GLY B 224 82.189 5.090 -6.219 1.00100.00 C -ATOM 4539 C GLY B 224 83.431 5.797 -5.701 1.00100.00 C -ATOM 4540 O GLY B 224 84.151 5.276 -4.851 1.00100.00 O -ATOM 4541 N GLN B 225 83.679 6.998 -6.217 1.00 0.03 N -ATOM 4542 CA GLN B 225 84.827 7.803 -5.810 1.00 0.03 C -ATOM 4543 C GLN B 225 84.726 8.139 -4.339 1.00 0.03 C -ATOM 4544 O GLN B 225 85.691 7.941 -3.597 1.00 0.03 O -ATOM 4545 CB GLN B 225 84.886 9.088 -6.635 1.00 0.03 C -ATOM 4546 CG GLN B 225 85.069 8.823 -8.112 1.00 0.03 C -ATOM 4547 CD GLN B 225 86.249 7.900 -8.380 1.00 0.03 C -ATOM 4548 OE1 GLN B 225 87.410 8.302 -8.267 1.00 0.03 O -ATOM 4549 NE2 GLN B 225 85.953 6.648 -8.720 1.00 0.03 N -ATOM 4550 N LEU B 226 83.569 8.639 -3.914 1.00 0.00 N -ATOM 4551 CA LEU B 226 83.362 8.989 -2.512 1.00 0.00 C -ATOM 4552 C LEU B 226 82.942 7.752 -1.706 1.00 0.00 C -ATOM 4553 O LEU B 226 82.111 7.856 -0.793 1.00 0.00 O -ATOM 4554 CB LEU B 226 82.310 10.099 -2.399 1.00 0.00 C -ATOM 4555 CG LEU B 226 82.709 11.451 -3.006 1.00 0.00 C -ATOM 4556 CD1 LEU B 226 83.008 11.316 -4.496 1.00 0.00 C -ATOM 4557 CD2 LEU B 226 81.589 12.442 -2.772 1.00 0.00 C -ATOM 4558 N VAL B 227 83.513 6.594 -2.051 1.00 0.15 N -ATOM 4559 CA VAL B 227 83.221 5.347 -1.341 1.00 0.15 C -ATOM 4560 C VAL B 227 84.296 5.147 -0.295 1.00 0.15 C -ATOM 4561 O VAL B 227 83.980 4.749 0.840 1.00 0.15 O -ATOM 4562 CB VAL B 227 83.200 4.108 -2.282 1.00 0.15 C -ATOM 4563 CG1 VAL B 227 84.621 3.706 -2.678 1.00 0.15 C -ATOM 4564 CG2 VAL B 227 82.480 2.952 -1.590 1.00 0.15 C -ATOM 4565 N PHE B 228 85.553 5.415 -0.670 1.00 0.28 N -ATOM 4566 CA PHE B 228 86.676 5.299 0.265 1.00 0.28 C -ATOM 4567 C PHE B 228 86.672 6.520 1.169 1.00 0.28 C -ATOM 4568 O PHE B 228 86.838 6.383 2.391 1.00 0.28 O -ATOM 4569 CB PHE B 228 88.030 5.217 -0.461 1.00 0.28 C -ATOM 4570 CG PHE B 228 89.231 5.214 0.484 1.00 0.28 C -ATOM 4571 CD1 PHE B 228 89.276 4.341 1.587 1.00 0.28 C -ATOM 4572 CD2 PHE B 228 90.311 6.082 0.276 1.00 0.28 C -ATOM 4573 CE1 PHE B 228 90.383 4.334 2.472 1.00 0.28 C -ATOM 4574 CE2 PHE B 228 91.426 6.083 1.153 1.00 0.28 C -ATOM 4575 CZ PHE B 228 91.457 5.207 2.251 1.00 0.28 C -ATOM 4576 N THR B 229 86.494 7.702 0.578 1.00 1.27 N -ATOM 4577 CA THR B 229 86.442 8.941 1.348 1.00 1.27 C -ATOM 4578 C THR B 229 85.125 8.978 2.176 1.00 1.27 C -ATOM 4579 O THR B 229 84.688 7.917 2.649 1.00 1.27 O -ATOM 4580 CB THR B 229 86.585 10.186 0.411 1.00 1.27 C -ATOM 4581 OG1 THR B 229 86.314 9.816 -0.949 1.00 1.27 O -ATOM 4582 CG2 THR B 229 88.001 10.740 0.490 1.00 1.27 C -ATOM 4583 N VAL B 230 84.500 10.145 2.355 1.00 1.04 N -ATOM 4584 CA VAL B 230 83.270 10.228 3.156 1.00 1.04 C -ATOM 4585 C VAL B 230 82.270 9.141 2.772 1.00 1.04 C -ATOM 4586 O VAL B 230 81.857 9.059 1.604 1.00 1.04 O -ATOM 4587 CB VAL B 230 82.576 11.610 3.018 1.00 1.04 C -ATOM 4588 CG1 VAL B 230 82.222 11.879 1.576 1.00 1.04 C -ATOM 4589 CG2 VAL B 230 81.316 11.635 3.852 1.00 1.04 C -ATOM 4590 N LYS B 231 81.903 8.300 3.741 1.00 0.03 N -ATOM 4591 CA LYS B 231 80.916 7.239 3.517 1.00 0.03 C -ATOM 4592 C LYS B 231 79.690 7.620 4.319 1.00 0.03 C -ATOM 4593 O LYS B 231 79.493 8.810 4.610 1.00 0.03 O -ATOM 4594 CB LYS B 231 81.408 5.872 4.019 1.00 0.03 C -ATOM 4595 CG LYS B 231 82.907 5.672 4.031 1.00 0.03 C -ATOM 4596 CD LYS B 231 83.316 4.956 5.314 1.00 0.03 C -ATOM 4597 CE LYS B 231 82.879 5.747 6.556 1.00 0.03 C -ATOM 4598 NZ LYS B 231 83.131 5.012 7.832 1.00 0.03 N -ATOM 4599 N GLU B 232 78.880 6.629 4.691 1.00 0.00 N -ATOM 4600 CA GLU B 232 77.682 6.901 5.482 1.00 0.00 C -ATOM 4601 C GLU B 232 78.096 7.276 6.900 1.00 0.00 C -ATOM 4602 O GLU B 232 77.593 8.275 7.429 1.00 0.00 O -ATOM 4603 CB GLU B 232 76.735 5.679 5.502 1.00 0.00 C -ATOM 4604 CG GLU B 232 76.012 5.378 4.158 1.00 0.00 C -ATOM 4605 CD GLU B 232 74.508 5.725 4.146 1.00 0.00 C -ATOM 4606 OE1 GLU B 232 73.743 5.130 4.944 1.00 0.00 O -ATOM 4607 OE2 GLU B 232 74.088 6.583 3.329 1.00 0.00 O -ATOM 4608 N ALA B 233 79.019 6.510 7.491 1.00 0.00 N -ATOM 4609 CA ALA B 233 79.501 6.757 8.861 1.00 0.00 C -ATOM 4610 C ALA B 233 79.936 8.229 9.074 1.00 0.00 C -ATOM 4611 O ALA B 233 80.919 8.691 8.472 1.00 0.00 O -ATOM 4612 CB ALA B 233 80.662 5.794 9.193 1.00 0.00 C -ATOM 4613 N ALA B 234 79.195 8.939 9.933 1.00 0.00 N -ATOM 4614 CA ALA B 234 79.443 10.351 10.274 1.00 0.00 C -ATOM 4615 C ALA B 234 79.107 10.583 11.764 1.00 0.00 C -ATOM 4616 O ALA B 234 77.930 10.760 12.097 1.00 0.00 O -ATOM 4617 CB ALA B 234 78.584 11.273 9.373 1.00 0.00 C -ATOM 4618 N ALA B 235 80.130 10.595 12.631 1.00 0.01 N -ATOM 4619 CA ALA B 235 79.977 10.764 14.094 1.00 0.01 C -ATOM 4620 C ALA B 235 79.341 12.097 14.494 1.00 0.01 C -ATOM 4621 O ALA B 235 78.857 12.837 13.628 1.00 0.01 O -ATOM 4622 CB ALA B 235 81.342 10.607 14.795 1.00 0.01 C -ATOM 4623 N GLN B 236 79.341 12.392 15.801 1.00 0.00 N -ATOM 4624 CA GLN B 236 78.753 13.631 16.329 1.00 0.00 C -ATOM 4625 C GLN B 236 79.569 14.844 15.919 1.00 0.00 C -ATOM 4626 O GLN B 236 80.614 14.680 15.278 1.00 0.00 O -ATOM 4627 CB GLN B 236 78.604 13.572 17.865 1.00 0.00 C -ATOM 4628 CG GLN B 236 79.673 12.796 18.623 1.00 0.00 C -ATOM 4629 CD GLN B 236 81.022 13.459 18.589 1.00 0.00 C -ATOM 4630 OE1 GLN B 236 81.953 12.955 17.969 1.00 0.00 O -ATOM 4631 NE2 GLN B 236 81.135 14.600 19.255 1.00 0.00 N -ATOM 4632 N GLN B 237 79.087 16.040 16.275 1.00 0.00 N -ATOM 4633 CA GLN B 237 79.746 17.308 15.932 1.00 0.00 C -ATOM 4634 C GLN B 237 81.214 17.094 15.588 1.00 0.00 C -ATOM 4635 O GLN B 237 82.054 17.148 16.492 1.00 0.00 O -ATOM 4636 CB GLN B 237 79.652 18.323 17.088 1.00 0.00 C -ATOM 4637 CG GLN B 237 78.247 18.802 17.463 1.00 0.00 C -ATOM 4638 CD GLN B 237 77.590 17.961 18.557 1.00 0.00 C -ATOM 4639 OE1 GLN B 237 76.513 18.305 19.048 1.00 0.00 O -ATOM 4640 NE2 GLN B 237 78.235 16.857 18.940 1.00 0.00 N -ATOM 4641 N GLN B 238 81.503 16.834 14.306 1.00 0.00 N -ATOM 4642 CA GLN B 238 82.872 16.637 13.795 1.00 0.00 C -ATOM 4643 C GLN B 238 83.248 15.173 13.589 1.00 0.00 C -ATOM 4644 O GLN B 238 82.668 14.269 14.199 1.00 0.00 O -ATOM 4645 CB GLN B 238 83.894 17.318 14.718 1.00 0.00 C -ATOM 4646 CG GLN B 238 85.346 17.090 14.383 1.00 0.00 C -ATOM 4647 CD GLN B 238 86.249 17.758 15.388 1.00 0.00 C -ATOM 4648 OE1 GLN B 238 86.327 18.982 15.450 1.00 0.00 O -ATOM 4649 NE2 GLN B 238 86.923 16.954 16.199 1.00 0.00 N -ATOM 4650 N GLU B 239 84.220 14.961 12.702 1.00 0.04 N -ATOM 4651 CA GLU B 239 84.750 13.635 12.379 1.00 0.04 C -ATOM 4652 C GLU B 239 86.217 13.801 11.984 1.00 0.04 C -ATOM 4653 O GLU B 239 86.951 12.813 11.812 1.00 0.04 O -ATOM 4654 CB GLU B 239 83.979 13.008 11.211 1.00 0.04 C -ATOM 4655 CG GLU B 239 84.185 11.508 11.070 1.00 0.04 C -ATOM 4656 CD GLU B 239 83.497 10.732 12.179 1.00 0.04 C -ATOM 4657 OE1 GLU B 239 83.598 11.154 13.354 1.00 0.04 O -ATOM 4658 OE2 GLU B 239 82.863 9.700 11.875 1.00 0.04 O -ATOM 4659 N SER B 240 86.617 15.067 11.849 1.00 0.03 N -ATOM 4660 CA SER B 240 87.970 15.495 11.471 1.00 0.03 C -ATOM 4661 C SER B 240 87.880 17.005 11.253 1.00 0.03 C -ATOM 4662 O SER B 240 88.668 17.604 10.509 1.00 0.03 O -ATOM 4663 CB SER B 240 88.409 14.789 10.175 1.00 0.03 C -ATOM 4664 OG SER B 240 89.770 15.052 9.869 1.00 0.03 O -ATOM 4665 N ALA B 241 86.897 17.580 11.945 1.00 0.10 N -ATOM 4666 CA ALA B 241 86.512 18.985 11.920 1.00 0.10 C -ATOM 4667 C ALA B 241 85.036 18.915 11.664 1.00 0.10 C -ATOM 4668 O ALA B 241 84.630 18.177 10.770 1.00 0.10 O -ATOM 4669 CB ALA B 241 87.206 19.739 10.778 1.00 0.10 C -ATOM 4670 N THR B 242 84.220 19.623 12.437 1.00 0.04 N -ATOM 4671 CA THR B 242 82.778 19.556 12.204 1.00 0.04 C -ATOM 4672 C THR B 242 82.480 19.976 10.770 1.00 0.04 C -ATOM 4673 O THR B 242 81.400 19.669 10.257 1.00 0.04 O -ATOM 4674 CB THR B 242 81.975 20.454 13.195 1.00 0.04 C -ATOM 4675 OG1 THR B 242 82.354 20.144 14.543 1.00 0.04 O -ATOM 4676 CG2 THR B 242 80.464 20.208 13.044 1.00 0.04 C -ATOM 4677 N THR B 243 83.432 20.660 10.132 1.00 0.70 N -ATOM 4678 CA THR B 243 83.277 21.110 8.744 1.00 0.70 C -ATOM 4679 C THR B 243 83.286 19.887 7.856 1.00 0.70 C -ATOM 4680 O THR B 243 82.513 19.797 6.907 1.00 0.70 O -ATOM 4681 CB THR B 243 84.440 22.061 8.305 1.00 0.70 C -ATOM 4682 OG1 THR B 243 84.098 22.709 7.067 1.00 0.70 O -ATOM 4683 CG2 THR B 243 85.755 21.269 8.128 1.00 0.70 C -ATOM 4684 N GLN B 244 84.164 18.947 8.182 1.00 0.04 N -ATOM 4685 CA GLN B 244 84.287 17.710 7.436 1.00 0.04 C -ATOM 4686 C GLN B 244 83.144 16.784 7.826 1.00 0.04 C -ATOM 4687 O GLN B 244 82.801 15.884 7.063 1.00 0.04 O -ATOM 4688 CB GLN B 244 85.663 17.093 7.738 1.00 0.04 C -ATOM 4689 CG GLN B 244 85.833 15.607 7.427 1.00 0.04 C -ATOM 4690 CD GLN B 244 85.464 14.711 8.607 1.00 0.04 C -ATOM 4691 OE1 GLN B 244 85.728 13.497 8.595 1.00 0.04 O -ATOM 4692 NE2 GLN B 244 84.850 15.305 9.635 1.00 0.04 N -ATOM 4693 N LYS B 245 82.538 17.035 8.986 1.00 0.00 N -ATOM 4694 CA LYS B 245 81.439 16.217 9.496 1.00 0.00 C -ATOM 4695 C LYS B 245 80.067 16.803 9.161 1.00 0.00 C -ATOM 4696 O LYS B 245 79.044 16.156 9.388 1.00 0.00 O -ATOM 4697 CB LYS B 245 81.567 16.058 11.008 1.00 0.00 C -ATOM 4698 CG LYS B 245 80.563 15.099 11.633 1.00 0.00 C -ATOM 4699 CD LYS B 245 80.916 13.650 11.344 1.00 0.00 C -ATOM 4700 CE LYS B 245 80.929 13.343 9.853 1.00 0.00 C -ATOM 4701 NZ LYS B 245 81.646 12.075 9.557 1.00 0.00 N -ATOM 4702 N ALA B 246 80.037 18.021 8.640 1.00 0.00 N -ATOM 4703 CA ALA B 246 78.774 18.643 8.275 1.00 0.00 C -ATOM 4704 C ALA B 246 78.569 18.463 6.799 1.00 0.00 C -ATOM 4705 O ALA B 246 77.496 18.738 6.285 1.00 0.00 O -ATOM 4706 CB ALA B 246 78.800 20.114 8.615 1.00 0.00 C -ATOM 4707 N GLU B 247 79.612 18.017 6.112 1.00 0.00 N -ATOM 4708 CA GLU B 247 79.515 17.794 4.684 1.00 0.00 C -ATOM 4709 C GLU B 247 79.017 16.414 4.459 1.00 0.00 C -ATOM 4710 O GLU B 247 78.310 16.161 3.491 1.00 0.00 O -ATOM 4711 CB GLU B 247 80.872 17.980 4.010 1.00 0.00 C -ATOM 4712 CG GLU B 247 81.107 19.406 3.535 1.00 0.00 C -ATOM 4713 CD GLU B 247 79.912 19.962 2.766 1.00 0.00 C -ATOM 4714 OE1 GLU B 247 79.479 19.312 1.787 1.00 0.00 O -ATOM 4715 OE2 GLU B 247 79.401 21.046 3.139 1.00 0.00 O -ATOM 4716 N LYS B 248 79.379 15.513 5.358 1.00 0.05 N -ATOM 4717 CA LYS B 248 78.927 14.147 5.232 1.00 0.05 C -ATOM 4718 C LYS B 248 77.417 14.126 5.371 1.00 0.05 C -ATOM 4719 O LYS B 248 76.815 13.110 5.073 1.00 0.05 O -ATOM 4720 CB LYS B 248 79.591 13.258 6.292 1.00 0.05 C -ATOM 4721 CG LYS B 248 81.098 13.481 6.368 1.00 0.05 C -ATOM 4722 CD LYS B 248 81.871 12.253 6.841 1.00 0.05 C -ATOM 4723 CE LYS B 248 83.386 12.511 6.813 1.00 0.05 C -ATOM 4724 NZ LYS B 248 83.894 12.920 5.456 1.00 0.05 N -ATOM 4725 N GLU B 249 76.802 15.231 5.802 1.00 0.00 N -ATOM 4726 CA GLU B 249 75.344 15.264 5.937 1.00 0.00 C -ATOM 4727 C GLU B 249 74.743 15.702 4.625 1.00 0.00 C -ATOM 4728 O GLU B 249 73.620 15.322 4.308 1.00 0.00 O -ATOM 4729 CB GLU B 249 74.881 16.208 7.063 1.00 0.00 C -ATOM 4730 CG GLU B 249 74.880 17.699 6.716 1.00 0.00 C -ATOM 4731 CD GLU B 249 73.641 18.455 7.235 1.00 0.00 C -ATOM 4732 OE1 GLU B 249 73.192 18.173 8.370 1.00 0.00 O -ATOM 4733 OE2 GLU B 249 73.121 19.346 6.514 1.00 0.00 O -ATOM 4734 N VAL B 250 75.479 16.503 3.865 1.00 0.00 N -ATOM 4735 CA VAL B 250 74.989 16.951 2.571 1.00 0.00 C -ATOM 4736 C VAL B 250 75.124 15.807 1.592 1.00 0.00 C -ATOM 4737 O VAL B 250 74.273 15.643 0.727 1.00 0.00 O -ATOM 4738 CB VAL B 250 75.782 18.170 2.054 1.00 0.00 C -ATOM 4739 CG1 VAL B 250 75.373 18.504 0.639 1.00 0.00 C -ATOM 4740 CG2 VAL B 250 75.513 19.366 2.942 1.00 0.00 C -ATOM 4741 N THR B 251 76.174 15.002 1.744 1.00 0.00 N -ATOM 4742 CA THR B 251 76.409 13.864 0.857 1.00 0.00 C -ATOM 4743 C THR B 251 75.287 12.835 0.990 1.00 0.00 C -ATOM 4744 O THR B 251 74.800 12.324 -0.027 1.00 0.00 O -ATOM 4745 CB THR B 251 77.762 13.179 1.179 1.00 0.00 C -ATOM 4746 OG1 THR B 251 78.829 14.113 0.991 1.00 0.00 O -ATOM 4747 CG2 THR B 251 77.994 11.995 0.269 1.00 0.00 C -ATOM 4748 N ARG B 252 74.880 12.548 2.229 1.00 0.00 N -ATOM 4749 CA ARG B 252 73.833 11.568 2.526 1.00 0.00 C -ATOM 4750 C ARG B 252 72.516 12.013 1.970 1.00 0.00 C -ATOM 4751 O ARG B 252 71.722 11.185 1.534 1.00 0.00 O -ATOM 4752 CB ARG B 252 73.757 11.364 4.026 1.00 0.00 C -ATOM 4753 CG ARG B 252 75.110 10.978 4.549 1.00 0.00 C -ATOM 4754 CD ARG B 252 75.223 11.122 6.034 1.00 0.00 C -ATOM 4755 NE ARG B 252 74.390 10.151 6.719 1.00 0.00 N -ATOM 4756 CZ ARG B 252 74.400 9.951 8.034 1.00 0.00 C -ATOM 4757 NH1 ARG B 252 75.213 10.664 8.814 1.00 0.00 N -ATOM 4758 NH2 ARG B 252 73.595 9.035 8.566 1.00 0.00 N -ATOM 4759 N MET B 253 72.263 13.312 1.990 1.00 0.05 N -ATOM 4760 CA MET B 253 71.036 13.798 1.408 1.00 0.05 C -ATOM 4761 C MET B 253 71.128 13.485 -0.067 1.00 0.05 C -ATOM 4762 O MET B 253 70.246 12.840 -0.621 1.00 0.05 O -ATOM 4763 CB MET B 253 70.904 15.294 1.611 1.00 0.05 C -ATOM 4764 CG MET B 253 69.731 15.838 0.903 1.00 0.05 C -ATOM 4765 SD MET B 253 69.388 17.394 1.560 1.00 0.05 S -ATOM 4766 CE MET B 253 68.504 18.102 0.231 1.00 0.05 C -ATOM 4767 N VAL B 254 72.222 13.920 -0.685 1.00 0.00 N -ATOM 4768 CA VAL B 254 72.474 13.693 -2.103 1.00 0.00 C -ATOM 4769 C VAL B 254 72.255 12.225 -2.466 1.00 0.00 C -ATOM 4770 O VAL B 254 71.741 11.933 -3.545 1.00 0.00 O -ATOM 4771 CB VAL B 254 73.918 14.139 -2.470 1.00 0.00 C -ATOM 4772 CG1 VAL B 254 74.363 13.530 -3.794 1.00 0.00 C -ATOM 4773 CG2 VAL B 254 73.954 15.646 -2.571 1.00 0.00 C -ATOM 4774 N ILE B 255 72.625 11.309 -1.578 1.00 0.10 N -ATOM 4775 CA ILE B 255 72.446 9.880 -1.847 1.00 0.10 C -ATOM 4776 C ILE B 255 70.983 9.521 -1.779 1.00 0.10 C -ATOM 4777 O ILE B 255 70.475 8.834 -2.660 1.00 0.10 O -ATOM 4778 CB ILE B 255 73.237 9.006 -0.834 1.00 0.10 C -ATOM 4779 CG1 ILE B 255 74.714 8.996 -1.218 1.00 0.10 C -ATOM 4780 CG2 ILE B 255 72.687 7.593 -0.793 1.00 0.10 C -ATOM 4781 CD1 ILE B 255 75.548 8.111 -0.337 1.00 0.10 C -ATOM 4782 N ILE B 256 70.317 9.980 -0.731 1.00 0.01 N -ATOM 4783 CA ILE B 256 68.903 9.718 -0.551 1.00 0.01 C -ATOM 4784 C ILE B 256 68.112 10.287 -1.708 1.00 0.01 C -ATOM 4785 O ILE B 256 67.132 9.682 -2.125 1.00 0.01 O -ATOM 4786 CB ILE B 256 68.427 10.330 0.757 1.00 0.01 C -ATOM 4787 CG1 ILE B 256 68.846 9.414 1.890 1.00 0.01 C -ATOM 4788 CG2 ILE B 256 66.942 10.585 0.729 1.00 0.01 C -ATOM 4789 CD1 ILE B 256 68.506 7.988 1.626 1.00 0.01 C -ATOM 4790 N MET B 257 68.533 11.440 -2.221 1.00 0.28 N -ATOM 4791 CA MET B 257 67.857 12.072 -3.349 1.00 0.28 C -ATOM 4792 C MET B 257 67.938 11.158 -4.581 1.00 0.28 C -ATOM 4793 O MET B 257 66.985 11.061 -5.363 1.00 0.28 O -ATOM 4794 CB MET B 257 68.503 13.432 -3.639 1.00 0.28 C -ATOM 4795 CG MET B 257 68.188 14.515 -2.598 1.00 0.28 C -ATOM 4796 SD MET B 257 69.052 16.102 -2.894 1.00 0.28 S -ATOM 4797 CE MET B 257 68.312 16.668 -4.422 1.00 0.28 C -ATOM 4798 N VAL B 258 69.072 10.487 -4.742 1.00 0.00 N -ATOM 4799 CA VAL B 258 69.286 9.572 -5.854 1.00 0.00 C -ATOM 4800 C VAL B 258 68.393 8.355 -5.697 1.00 0.00 C -ATOM 4801 O VAL B 258 67.795 7.904 -6.667 1.00 0.00 O -ATOM 4802 CB VAL B 258 70.755 9.142 -5.898 1.00 0.00 C -ATOM 4803 CG1 VAL B 258 70.954 8.043 -6.903 1.00 0.00 C -ATOM 4804 CG2 VAL B 258 71.606 10.332 -6.252 1.00 0.00 C -ATOM 4805 N ILE B 259 68.317 7.827 -4.479 1.00 0.03 N -ATOM 4806 CA ILE B 259 67.482 6.662 -4.184 1.00 0.03 C -ATOM 4807 C ILE B 259 66.048 6.986 -4.556 1.00 0.03 C -ATOM 4808 O ILE B 259 65.439 6.280 -5.358 1.00 0.03 O -ATOM 4809 CB ILE B 259 67.467 6.315 -2.672 1.00 0.03 C -ATOM 4810 CG1 ILE B 259 68.847 6.525 -2.045 1.00 0.03 C -ATOM 4811 CG2 ILE B 259 67.015 4.874 -2.484 1.00 0.03 C -ATOM 4812 CD1 ILE B 259 69.847 5.497 -2.431 1.00 0.03 C -ATOM 4813 N ALA B 260 65.522 8.057 -3.959 1.00 0.02 N -ATOM 4814 CA ALA B 260 64.159 8.505 -4.193 1.00 0.02 C -ATOM 4815 C ALA B 260 63.906 8.599 -5.672 1.00 0.02 C -ATOM 4816 O ALA B 260 62.872 8.166 -6.151 1.00 0.02 O -ATOM 4817 CB ALA B 260 63.937 9.856 -3.531 1.00 0.02 C -ATOM 4818 N PHE B 261 64.857 9.148 -6.406 1.00 1.64 N -ATOM 4819 CA PHE B 261 64.687 9.288 -7.837 1.00 1.64 C -ATOM 4820 C PHE B 261 64.542 7.939 -8.503 1.00 1.64 C -ATOM 4821 O PHE B 261 63.659 7.766 -9.331 1.00 1.64 O -ATOM 4822 CB PHE B 261 65.881 10.020 -8.448 1.00 1.64 C -ATOM 4823 CG PHE B 261 65.787 10.175 -9.937 1.00 1.64 C -ATOM 4824 CD1 PHE B 261 65.138 11.271 -10.496 1.00 1.64 C -ATOM 4825 CD2 PHE B 261 66.291 9.192 -10.786 1.00 1.64 C -ATOM 4826 CE1 PHE B 261 64.988 11.389 -11.885 1.00 1.64 C -ATOM 4827 CE2 PHE B 261 66.146 9.295 -12.179 1.00 1.64 C -ATOM 4828 CZ PHE B 261 65.492 10.398 -12.730 1.00 1.64 C -ATOM 4829 N LEU B 262 65.410 6.995 -8.164 1.00 15.63 N -ATOM 4830 CA LEU B 262 65.382 5.676 -8.788 1.00 15.63 C -ATOM 4831 C LEU B 262 64.088 4.960 -8.486 1.00 15.63 C -ATOM 4832 O LEU B 262 63.518 4.307 -9.358 1.00 15.63 O -ATOM 4833 CB LEU B 262 66.590 4.855 -8.318 1.00 15.63 C -ATOM 4834 CG LEU B 262 67.944 5.449 -8.761 1.00 15.63 C -ATOM 4835 CD1 LEU B 262 69.113 4.622 -8.237 1.00 15.63 C -ATOM 4836 CD2 LEU B 262 67.988 5.509 -10.283 1.00 15.63 C -ATOM 4837 N ILE B 263 63.622 5.089 -7.256 1.00 0.02 N -ATOM 4838 CA ILE B 263 62.376 4.467 -6.836 1.00 0.02 C -ATOM 4839 C ILE B 263 61.233 5.099 -7.601 1.00 0.02 C -ATOM 4840 O ILE B 263 60.181 4.497 -7.785 1.00 0.02 O -ATOM 4841 CB ILE B 263 62.142 4.697 -5.333 1.00 0.02 C -ATOM 4842 CG1 ILE B 263 63.241 4.004 -4.535 1.00 0.02 C -ATOM 4843 CG2 ILE B 263 60.775 4.206 -4.930 1.00 0.02 C -ATOM 4844 CD1 ILE B 263 63.182 4.274 -3.068 1.00 0.02 C -ATOM 4845 N CYS B 264 61.443 6.320 -8.059 1.00 0.68 N -ATOM 4846 CA CYS B 264 60.410 7.027 -8.783 1.00 0.68 C -ATOM 4847 C CYS B 264 60.435 6.699 -10.265 1.00 0.68 C -ATOM 4848 O CYS B 264 59.367 6.610 -10.867 1.00 0.68 O -ATOM 4849 CB CYS B 264 60.616 8.536 -8.607 1.00 0.68 C -ATOM 4850 SG CYS B 264 59.143 9.492 -8.170 1.00 0.68 S -ATOM 4851 N TRP B 265 61.617 6.460 -10.839 1.00 2.28 N -ATOM 4852 CA TRP B 265 61.697 6.297 -12.295 1.00 2.28 C -ATOM 4853 C TRP B 265 62.118 4.956 -12.816 1.00 2.28 C -ATOM 4854 O TRP B 265 61.909 4.705 -14.006 1.00 2.28 O -ATOM 4855 CB TRP B 265 62.610 7.383 -12.889 1.00 2.28 C -ATOM 4856 CG TRP B 265 62.059 8.745 -12.640 1.00 2.28 C -ATOM 4857 CD1 TRP B 265 62.352 9.573 -11.594 1.00 2.28 C -ATOM 4858 CD2 TRP B 265 61.019 9.395 -13.391 1.00 2.28 C -ATOM 4859 NE1 TRP B 265 61.555 10.699 -11.645 1.00 2.28 N -ATOM 4860 CE2 TRP B 265 60.731 10.614 -12.737 1.00 2.28 C -ATOM 4861 CE3 TRP B 265 60.300 9.062 -14.555 1.00 2.28 C -ATOM 4862 CZ2 TRP B 265 59.756 11.501 -13.209 1.00 2.28 C -ATOM 4863 CZ3 TRP B 265 59.333 9.943 -15.020 1.00 2.28 C -ATOM 4864 CH2 TRP B 265 59.071 11.147 -14.347 1.00 2.28 C -ATOM 4865 N LEU B 266 62.726 4.103 -12.015 1.00 0.23 N -ATOM 4866 CA LEU B 266 63.083 2.822 -12.587 1.00 0.23 C -ATOM 4867 C LEU B 266 61.818 2.098 -12.954 1.00 0.23 C -ATOM 4868 O LEU B 266 61.716 1.581 -14.057 1.00 0.23 O -ATOM 4869 CB LEU B 266 63.917 1.991 -11.618 1.00 0.23 C -ATOM 4870 CG LEU B 266 65.423 2.098 -11.831 1.00 0.23 C -ATOM 4871 CD1 LEU B 266 65.790 3.519 -12.218 1.00 0.23 C -ATOM 4872 CD2 LEU B 266 66.137 1.686 -10.574 1.00 0.23 C -ATOM 4873 N PRO B 267 60.824 2.058 -12.054 1.00 0.00 N -ATOM 4874 CA PRO B 267 59.627 1.344 -12.477 1.00 0.00 C -ATOM 4875 C PRO B 267 59.069 1.883 -13.781 1.00 0.00 C -ATOM 4876 O PRO B 267 58.723 1.100 -14.646 1.00 0.00 O -ATOM 4877 CB PRO B 267 58.677 1.514 -11.288 1.00 0.00 C -ATOM 4878 CG PRO B 267 59.175 2.743 -10.597 1.00 0.00 C -ATOM 4879 CD PRO B 267 60.661 2.609 -10.700 1.00 0.00 C -ATOM 4880 N TYR B 268 59.011 3.203 -13.939 1.00 0.00 N -ATOM 4881 CA TYR B 268 58.483 3.789 -15.164 1.00 0.00 C -ATOM 4882 C TYR B 268 59.371 3.465 -16.331 1.00 0.00 C -ATOM 4883 O TYR B 268 58.920 2.919 -17.333 1.00 0.00 O -ATOM 4884 CB TYR B 268 58.409 5.294 -15.051 1.00 0.00 C -ATOM 4885 CG TYR B 268 57.960 5.930 -16.332 1.00 0.00 C -ATOM 4886 CD1 TYR B 268 56.610 6.031 -16.635 1.00 0.00 C -ATOM 4887 CD2 TYR B 268 58.878 6.415 -17.250 1.00 0.00 C -ATOM 4888 CE1 TYR B 268 56.178 6.605 -17.815 1.00 0.00 C -ATOM 4889 CE2 TYR B 268 58.465 6.992 -18.439 1.00 0.00 C -ATOM 4890 CZ TYR B 268 57.106 7.088 -18.717 1.00 0.00 C -ATOM 4891 OH TYR B 268 56.662 7.678 -19.883 1.00 0.00 O -ATOM 4892 N ALA B 269 60.638 3.847 -16.208 1.00 0.83 N -ATOM 4893 CA ALA B 269 61.623 3.617 -17.252 1.00 0.83 C -ATOM 4894 C ALA B 269 61.583 2.174 -17.656 1.00 0.83 C -ATOM 4895 O ALA B 269 61.731 1.866 -18.824 1.00 0.83 O -ATOM 4896 CB ALA B 269 63.004 3.978 -16.749 1.00 0.83 C -ATOM 4897 N GLY B 270 61.369 1.296 -16.686 1.00 0.34 N -ATOM 4898 CA GLY B 270 61.311 -0.125 -16.969 1.00 0.34 C -ATOM 4899 C GLY B 270 60.124 -0.516 -17.834 1.00 0.34 C -ATOM 4900 O GLY B 270 60.290 -1.215 -18.824 1.00 0.34 O -ATOM 4901 N VAL B 271 58.920 -0.081 -17.450 1.00 1.21 N -ATOM 4902 CA VAL B 271 57.704 -0.398 -18.197 1.00 1.21 C -ATOM 4903 C VAL B 271 57.832 0.175 -19.579 1.00 1.21 C -ATOM 4904 O VAL B 271 57.469 -0.470 -20.565 1.00 1.21 O -ATOM 4905 CB VAL B 271 56.478 0.226 -17.541 1.00 1.21 C -ATOM 4906 CG1 VAL B 271 55.276 -0.060 -18.363 1.00 1.21 C -ATOM 4907 CG2 VAL B 271 56.293 -0.320 -16.150 1.00 1.21 C -ATOM 4908 N ALA B 272 58.360 1.397 -19.632 1.00 0.00 N -ATOM 4909 CA ALA B 272 58.583 2.140 -20.878 1.00 0.00 C -ATOM 4910 C ALA B 272 59.491 1.364 -21.791 1.00 0.00 C -ATOM 4911 O ALA B 272 59.229 1.266 -22.977 1.00 0.00 O -ATOM 4912 CB ALA B 272 59.207 3.502 -20.575 1.00 0.00 C -ATOM 4913 N PHE B 273 60.567 0.817 -21.242 1.00 1.14 N -ATOM 4914 CA PHE B 273 61.505 0.063 -22.049 1.00 1.14 C -ATOM 4915 C PHE B 273 60.937 -1.277 -22.398 1.00 1.14 C -ATOM 4916 O PHE B 273 61.244 -1.810 -23.444 1.00 1.14 O -ATOM 4917 CB PHE B 273 62.827 -0.134 -21.325 1.00 1.14 C -ATOM 4918 CG PHE B 273 63.901 -0.665 -22.212 1.00 1.14 C -ATOM 4919 CD1 PHE B 273 64.455 0.142 -23.207 1.00 1.14 C -ATOM 4920 CD2 PHE B 273 64.298 -1.995 -22.124 1.00 1.14 C -ATOM 4921 CE1 PHE B 273 65.388 -0.373 -24.112 1.00 1.14 C -ATOM 4922 CE2 PHE B 273 65.233 -2.526 -23.025 1.00 1.14 C -ATOM 4923 CZ PHE B 273 65.777 -1.712 -24.023 1.00 1.14 C -ATOM 4924 N TYR B 274 60.116 -1.838 -21.532 1.00 4.81 N -ATOM 4925 CA TYR B 274 59.540 -3.126 -21.845 1.00 4.81 C -ATOM 4926 C TYR B 274 58.622 -3.010 -23.061 1.00 4.81 C -ATOM 4927 O TYR B 274 58.704 -3.839 -23.966 1.00 4.81 O -ATOM 4928 CB TYR B 274 58.743 -3.648 -20.674 1.00 4.81 C -ATOM 4929 CG TYR B 274 58.025 -4.901 -21.036 1.00 4.81 C -ATOM 4930 CD1 TYR B 274 58.627 -6.140 -20.866 1.00 4.81 C -ATOM 4931 CD2 TYR B 274 56.747 -4.851 -21.599 1.00 4.81 C -ATOM 4932 CE1 TYR B 274 57.979 -7.315 -21.247 1.00 4.81 C -ATOM 4933 CE2 TYR B 274 56.086 -6.018 -21.987 1.00 4.81 C -ATOM 4934 CZ TYR B 274 56.712 -7.249 -21.804 1.00 4.81 C -ATOM 4935 OH TYR B 274 56.054 -8.405 -22.176 1.00 4.81 O -ATOM 4936 N ILE B 275 57.749 -2.004 -23.066 1.00 2.88 N -ATOM 4937 CA ILE B 275 56.806 -1.753 -24.153 1.00 2.88 C -ATOM 4938 C ILE B 275 57.512 -1.439 -25.469 1.00 2.88 C -ATOM 4939 O ILE B 275 57.000 -1.806 -26.519 1.00 2.88 O -ATOM 4940 CB ILE B 275 55.925 -0.555 -23.820 1.00 2.88 C -ATOM 4941 CG1 ILE B 275 54.959 -0.925 -22.696 1.00 2.88 C -ATOM 4942 CG2 ILE B 275 55.243 -0.039 -25.081 1.00 2.88 C -ATOM 4943 CD1 ILE B 275 54.221 0.282 -22.105 1.00 2.88 C -ATOM 4944 N PHE B 276 58.652 -0.747 -25.421 1.00 0.02 N -ATOM 4945 CA PHE B 276 59.397 -0.374 -26.633 1.00 0.02 C -ATOM 4946 C PHE B 276 59.997 -1.604 -27.311 1.00 0.02 C -ATOM 4947 O PHE B 276 60.102 -1.649 -28.542 1.00 0.02 O -ATOM 4948 CB PHE B 276 60.517 0.609 -26.283 1.00 0.02 C -ATOM 4949 CG PHE B 276 61.334 1.046 -27.470 1.00 0.02 C -ATOM 4950 CD1 PHE B 276 60.795 1.895 -28.432 1.00 0.02 C -ATOM 4951 CD2 PHE B 276 62.656 0.634 -27.615 1.00 0.02 C -ATOM 4952 CE1 PHE B 276 61.562 2.331 -29.512 1.00 0.02 C -ATOM 4953 CE2 PHE B 276 63.428 1.068 -28.697 1.00 0.02 C -ATOM 4954 CZ PHE B 276 62.880 1.918 -29.642 1.00 0.02 C -ATOM 4955 N THR B 277 60.376 -2.599 -26.520 1.00 0.31 N -ATOM 4956 CA THR B 277 60.968 -3.816 -27.055 1.00 0.31 C -ATOM 4957 C THR B 277 59.916 -4.933 -27.191 1.00 0.31 C -ATOM 4958 O THR B 277 60.262 -6.088 -27.439 1.00 0.31 O -ATOM 4959 CB THR B 277 62.142 -4.279 -26.146 1.00 0.31 C -ATOM 4960 OG1 THR B 277 61.643 -4.667 -24.851 1.00 0.31 O -ATOM 4961 CG2 THR B 277 63.159 -3.136 -25.988 1.00 0.31 C -ATOM 4962 N HIS B 278 58.645 -4.586 -27.031 1.00 0.08 N -ATOM 4963 CA HIS B 278 57.546 -5.548 -27.140 1.00 0.08 C -ATOM 4964 C HIS B 278 56.292 -4.796 -27.573 1.00 0.08 C -ATOM 4965 O HIS B 278 55.220 -4.979 -27.003 1.00 0.08 O -ATOM 4966 CB HIS B 278 57.275 -6.228 -25.790 1.00 0.08 C -ATOM 4967 CG HIS B 278 58.368 -7.139 -25.311 1.00 0.08 C -ATOM 4968 ND1 HIS B 278 59.203 -6.812 -24.265 1.00 0.08 N -ATOM 4969 CD2 HIS B 278 58.694 -8.407 -25.667 1.00 0.08 C -ATOM 4970 CE1 HIS B 278 59.988 -7.841 -23.993 1.00 0.08 C -ATOM 4971 NE2 HIS B 278 59.699 -8.824 -24.829 1.00 0.08 N -ATOM 4972 N GLN B 279 56.441 -3.956 -28.588 1.00 0.96 N -ATOM 4973 CA GLN B 279 55.347 -3.128 -29.110 1.00 0.96 C -ATOM 4974 C GLN B 279 54.242 -3.986 -29.761 1.00 0.96 C -ATOM 4975 O GLN B 279 54.558 -4.912 -30.476 1.00 0.96 O -ATOM 4976 CB GLN B 279 55.932 -2.119 -30.125 1.00 0.96 C -ATOM 4977 CG GLN B 279 57.412 -1.794 -29.874 1.00 0.96 C -ATOM 4978 CD GLN B 279 57.937 -0.653 -30.723 1.00 0.96 C -ATOM 4979 OE1 GLN B 279 57.762 0.520 -30.395 1.00 0.96 O -ATOM 4980 NE2 GLN B 279 58.585 -0.996 -31.828 1.00 0.96 N -ATOM 4981 N GLY B 280 52.967 -3.690 -29.509 1.00 0.08 N -ATOM 4982 CA GLY B 280 51.900 -4.466 -30.126 1.00 0.08 C -ATOM 4983 C GLY B 280 51.502 -5.716 -29.359 1.00 0.08 C -ATOM 4984 O GLY B 280 50.473 -6.342 -29.651 1.00 0.08 O -ATOM 4985 N SER B 281 52.326 -6.078 -28.382 1.00 0.13 N -ATOM 4986 CA SER B 281 52.061 -7.240 -27.550 1.00 0.13 C -ATOM 4987 C SER B 281 50.846 -6.945 -26.735 1.00 0.13 C -ATOM 4988 O SER B 281 50.286 -5.835 -26.834 1.00 0.13 O -ATOM 4989 CB SER B 281 53.234 -7.543 -26.622 1.00 0.13 C -ATOM 4990 OG SER B 281 53.418 -6.505 -25.674 1.00 0.13 O -ATOM 4991 N ASP B 282 50.473 -7.889 -25.876 1.00 0.22 N -ATOM 4992 CA ASP B 282 49.246 -7.748 -25.103 1.00 0.22 C -ATOM 4993 C ASP B 282 49.362 -7.239 -23.679 1.00 0.22 C -ATOM 4994 O ASP B 282 49.389 -8.029 -22.744 1.00 0.22 O -ATOM 4995 CB ASP B 282 48.499 -9.072 -25.099 1.00 0.22 C -ATOM 4996 CG ASP B 282 47.029 -8.879 -24.880 1.00 0.22 C -ATOM 4997 OD1 ASP B 282 46.599 -7.698 -24.898 1.00 0.22 O -ATOM 4998 OD2 ASP B 282 46.313 -9.895 -24.701 1.00 0.22 O -ATOM 4999 N PHE B 283 49.378 -5.922 -23.519 1.00 0.02 N -ATOM 5000 CA PHE B 283 49.412 -5.308 -22.201 1.00 0.02 C -ATOM 5001 C PHE B 283 48.206 -4.400 -22.135 1.00 0.02 C -ATOM 5002 O PHE B 283 47.757 -3.923 -23.183 1.00 0.02 O -ATOM 5003 CB PHE B 283 50.696 -4.505 -22.006 1.00 0.02 C -ATOM 5004 CG PHE B 283 50.992 -3.555 -23.123 1.00 0.02 C -ATOM 5005 CD1 PHE B 283 51.752 -3.958 -24.211 1.00 0.02 C -ATOM 5006 CD2 PHE B 283 50.492 -2.261 -23.105 1.00 0.02 C -ATOM 5007 CE1 PHE B 283 52.009 -3.090 -25.261 1.00 0.02 C -ATOM 5008 CE2 PHE B 283 50.746 -1.382 -24.158 1.00 0.02 C -ATOM 5009 CZ PHE B 283 51.503 -1.800 -25.234 1.00 0.02 C -ATOM 5010 N GLY B 284 47.666 -4.170 -20.941 1.00 0.30 N -ATOM 5011 CA GLY B 284 46.492 -3.321 -20.814 1.00 0.30 C -ATOM 5012 C GLY B 284 46.803 -1.932 -20.316 1.00 0.30 C -ATOM 5013 O GLY B 284 47.954 -1.587 -20.156 1.00 0.30 O -ATOM 5014 N PRO B 285 45.781 -1.110 -20.058 1.00 0.00 N -ATOM 5015 CA PRO B 285 45.956 0.260 -19.572 1.00 0.00 C -ATOM 5016 C PRO B 285 46.569 0.406 -18.187 1.00 0.00 C -ATOM 5017 O PRO B 285 47.346 1.326 -17.965 1.00 0.00 O -ATOM 5018 CB PRO B 285 44.541 0.835 -19.651 1.00 0.00 C -ATOM 5019 CG PRO B 285 43.679 -0.360 -19.450 1.00 0.00 C -ATOM 5020 CD PRO B 285 44.358 -1.402 -20.294 1.00 0.00 C -ATOM 5021 N ILE B 286 46.239 -0.492 -17.263 1.00 4.36 N -ATOM 5022 CA ILE B 286 46.767 -0.420 -15.893 1.00 4.36 C -ATOM 5023 C ILE B 286 48.270 -0.585 -15.881 1.00 4.36 C -ATOM 5024 O ILE B 286 48.972 0.006 -15.039 1.00 4.36 O -ATOM 5025 CB ILE B 286 46.161 -1.510 -15.012 1.00 4.36 C -ATOM 5026 CG1 ILE B 286 44.637 -1.404 -15.048 1.00 4.36 C -ATOM 5027 CG2 ILE B 286 46.682 -1.376 -13.601 1.00 4.36 C -ATOM 5028 CD1 ILE B 286 44.098 -0.024 -14.690 1.00 4.36 C -ATOM 5029 N PHE B 287 48.749 -1.408 -16.808 1.00 0.23 N -ATOM 5030 CA PHE B 287 50.163 -1.697 -16.971 1.00 0.23 C -ATOM 5031 C PHE B 287 51.004 -0.422 -16.794 1.00 0.23 C -ATOM 5032 O PHE B 287 51.837 -0.369 -15.885 1.00 0.23 O -ATOM 5033 CB PHE B 287 50.390 -2.322 -18.360 1.00 0.23 C -ATOM 5034 CG PHE B 287 51.790 -2.792 -18.600 1.00 0.23 C -ATOM 5035 CD1 PHE B 287 52.479 -3.505 -17.628 1.00 0.23 C -ATOM 5036 CD2 PHE B 287 52.412 -2.558 -19.813 1.00 0.23 C -ATOM 5037 CE1 PHE B 287 53.770 -3.983 -17.857 1.00 0.23 C -ATOM 5038 CE2 PHE B 287 53.706 -3.031 -20.058 1.00 0.23 C -ATOM 5039 CZ PHE B 287 54.382 -3.746 -19.074 1.00 0.23 C -ATOM 5040 N MET B 288 50.782 0.606 -17.609 1.00 0.00 N -ATOM 5041 CA MET B 288 51.602 1.803 -17.487 1.00 0.00 C -ATOM 5042 C MET B 288 50.972 2.872 -16.608 1.00 0.00 C -ATOM 5043 O MET B 288 51.688 3.805 -16.228 1.00 0.00 O -ATOM 5044 CB MET B 288 51.924 2.379 -18.878 1.00 0.00 C -ATOM 5045 CG MET B 288 52.800 3.642 -18.879 1.00 0.00 C -ATOM 5046 SD MET B 288 54.416 3.432 -18.078 1.00 0.00 S -ATOM 5047 CE MET B 288 55.527 3.771 -19.447 1.00 0.00 C -ATOM 5048 N THR B 289 49.692 2.767 -16.253 1.00 0.11 N -ATOM 5049 CA THR B 289 49.102 3.824 -15.419 1.00 0.11 C -ATOM 5050 C THR B 289 49.757 3.930 -14.039 1.00 0.11 C -ATOM 5051 O THR B 289 50.011 5.031 -13.567 1.00 0.11 O -ATOM 5052 CB THR B 289 47.604 3.627 -15.214 1.00 0.11 C -ATOM 5053 OG1 THR B 289 46.943 3.745 -16.472 1.00 0.11 O -ATOM 5054 CG2 THR B 289 47.059 4.670 -14.263 1.00 0.11 C -ATOM 5055 N ILE B 290 50.051 2.810 -13.398 1.00 0.12 N -ATOM 5056 CA ILE B 290 50.632 2.870 -12.065 1.00 0.12 C -ATOM 5057 C ILE B 290 52.011 3.511 -12.033 1.00 0.12 C -ATOM 5058 O ILE B 290 52.171 4.554 -11.395 1.00 0.12 O -ATOM 5059 CB ILE B 290 50.711 1.497 -11.445 1.00 0.12 C -ATOM 5060 CG1 ILE B 290 49.384 0.750 -11.653 1.00 0.12 C -ATOM 5061 CG2 ILE B 290 51.101 1.653 -9.987 1.00 0.12 C -ATOM 5062 CD1 ILE B 290 48.168 1.468 -11.149 1.00 0.12 C -ATOM 5063 N PRO B 291 53.031 2.891 -12.659 1.00 0.00 N -ATOM 5064 CA PRO B 291 54.341 3.545 -12.611 1.00 0.00 C -ATOM 5065 C PRO B 291 54.347 4.975 -13.166 1.00 0.00 C -ATOM 5066 O PRO B 291 55.236 5.752 -12.799 1.00 0.00 O -ATOM 5067 CB PRO B 291 55.239 2.590 -13.405 1.00 0.00 C -ATOM 5068 CG PRO B 291 54.307 1.999 -14.398 1.00 0.00 C -ATOM 5069 CD PRO B 291 53.081 1.716 -13.547 1.00 0.00 C -ATOM 5070 N ALA B 292 53.372 5.329 -14.016 1.00 1.31 N -ATOM 5071 CA ALA B 292 53.314 6.675 -14.602 1.00 1.31 C -ATOM 5072 C ALA B 292 52.758 7.692 -13.604 1.00 1.31 C -ATOM 5073 O ALA B 292 53.348 8.783 -13.428 1.00 1.31 O -ATOM 5074 CB ALA B 292 52.477 6.669 -15.888 1.00 1.31 C -ATOM 5075 N PHE B 293 51.651 7.360 -12.940 1.00 0.11 N -ATOM 5076 CA PHE B 293 51.077 8.288 -11.983 1.00 0.11 C -ATOM 5077 C PHE B 293 51.862 8.258 -10.706 1.00 0.11 C -ATOM 5078 O PHE B 293 51.844 9.235 -9.974 1.00 0.11 O -ATOM 5079 CB PHE B 293 49.604 7.978 -11.720 1.00 0.11 C -ATOM 5080 CG PHE B 293 48.654 8.642 -12.701 1.00 0.11 C -ATOM 5081 CD1 PHE B 293 48.544 8.200 -14.026 1.00 0.11 C -ATOM 5082 CD2 PHE B 293 47.869 9.726 -12.304 1.00 0.11 C -ATOM 5083 CE1 PHE B 293 47.656 8.836 -14.946 1.00 0.11 C -ATOM 5084 CE2 PHE B 293 46.982 10.369 -13.215 1.00 0.11 C -ATOM 5085 CZ PHE B 293 46.879 9.919 -14.534 1.00 0.11 C -ATOM 5086 N PHE B 294 52.561 7.159 -10.436 1.00 0.21 N -ATOM 5087 CA PHE B 294 53.366 7.079 -9.217 1.00 0.21 C -ATOM 5088 C PHE B 294 54.568 8.002 -9.314 1.00 0.21 C -ATOM 5089 O PHE B 294 54.963 8.594 -8.312 1.00 0.21 O -ATOM 5090 CB PHE B 294 53.866 5.662 -8.970 1.00 0.21 C -ATOM 5091 CG PHE B 294 54.930 5.583 -7.917 1.00 0.21 C -ATOM 5092 CD1 PHE B 294 54.641 5.901 -6.592 1.00 0.21 C -ATOM 5093 CD2 PHE B 294 56.234 5.228 -8.249 1.00 0.21 C -ATOM 5094 CE1 PHE B 294 55.639 5.866 -5.606 1.00 0.21 C -ATOM 5095 CE2 PHE B 294 57.237 5.191 -7.275 1.00 0.21 C -ATOM 5096 CZ PHE B 294 56.935 5.512 -5.948 1.00 0.21 C -ATOM 5097 N ALA B 295 55.145 8.114 -10.511 1.00 10.16 N -ATOM 5098 CA ALA B 295 56.318 8.958 -10.742 1.00 10.16 C -ATOM 5099 C ALA B 295 55.978 10.423 -10.581 1.00 10.16 C -ATOM 5100 O ALA B 295 56.878 11.205 -10.289 1.00 10.16 O -ATOM 5101 CB ALA B 295 56.878 8.707 -12.126 1.00 10.16 C -ATOM 5102 N LYS B 296 54.719 10.813 -10.754 1.00 0.00 N -ATOM 5103 CA LYS B 296 54.375 12.221 -10.602 1.00 0.00 C -ATOM 5104 C LYS B 296 54.634 12.691 -9.198 1.00 0.00 C -ATOM 5105 O LYS B 296 54.470 13.863 -8.947 1.00 0.00 O -ATOM 5106 CB LYS B 296 52.960 12.449 -10.936 1.00 0.00 C -ATOM 5107 CG LYS B 296 52.760 12.039 -12.360 1.00 0.00 C -ATOM 5108 CD LYS B 296 51.286 12.132 -12.720 1.00 0.00 C -ATOM 5109 CE LYS B 296 50.845 12.059 -14.181 1.00 0.00 C -ATOM 5110 NZ LYS B 296 51.767 12.006 -15.339 1.00 0.00 N -ATOM 5111 N THR B 297 54.989 11.801 -8.273 1.00 0.05 N -ATOM 5112 CA THR B 297 55.296 12.245 -6.913 1.00 0.05 C -ATOM 5113 C THR B 297 56.685 12.906 -6.920 1.00 0.05 C -ATOM 5114 O THR B 297 57.151 13.427 -5.895 1.00 0.05 O -ATOM 5115 CB THR B 297 55.287 11.078 -5.865 1.00 0.05 C -ATOM 5116 OG1 THR B 297 56.192 10.039 -6.267 1.00 0.05 O -ATOM 5117 CG2 THR B 297 53.902 10.521 -5.710 1.00 0.05 C -ATOM 5118 N SER B 298 57.341 12.886 -8.076 1.00 0.08 N -ATOM 5119 CA SER B 298 58.655 13.491 -8.218 1.00 0.08 C -ATOM 5120 C SER B 298 58.540 15.000 -8.044 1.00 0.08 C -ATOM 5121 O SER B 298 59.533 15.666 -7.786 1.00 0.08 O -ATOM 5122 CB SER B 298 59.219 13.167 -9.604 1.00 0.08 C -ATOM 5123 OG SER B 298 58.340 13.609 -10.622 1.00 0.08 O -ATOM 5124 N ALA B 299 57.331 15.529 -8.178 1.00 0.54 N -ATOM 5125 CA ALA B 299 57.115 16.957 -8.051 1.00 0.54 C -ATOM 5126 C ALA B 299 57.040 17.378 -6.597 1.00 0.54 C -ATOM 5127 O ALA B 299 56.852 18.568 -6.322 1.00 0.54 O -ATOM 5128 CB ALA B 299 55.844 17.351 -8.775 1.00 0.54 C -ATOM 5129 N VAL B 300 57.244 16.452 -5.652 1.00 0.01 N -ATOM 5130 CA VAL B 300 57.155 16.857 -4.245 1.00 0.01 C -ATOM 5131 C VAL B 300 58.119 16.164 -3.282 1.00 0.01 C -ATOM 5132 O VAL B 300 58.427 16.745 -2.268 1.00 0.01 O -ATOM 5133 CB VAL B 300 55.700 16.672 -3.670 1.00 0.01 C -ATOM 5134 CG1 VAL B 300 54.656 17.301 -4.593 1.00 0.01 C -ATOM 5135 CG2 VAL B 300 55.390 15.204 -3.482 1.00 0.01 C -ATOM 5136 N TYR B 301 58.620 14.975 -3.564 1.00 0.00 N -ATOM 5137 CA TYR B 301 59.458 14.312 -2.561 1.00 0.00 C -ATOM 5138 C TYR B 301 60.766 15.009 -2.288 1.00 0.00 C -ATOM 5139 O TYR B 301 61.314 14.836 -1.207 1.00 0.00 O -ATOM 5140 CB TYR B 301 59.737 12.861 -2.958 1.00 0.00 C -ATOM 5141 CG TYR B 301 60.718 12.707 -4.098 1.00 0.00 C -ATOM 5142 CD1 TYR B 301 62.091 12.841 -3.886 1.00 0.00 C -ATOM 5143 CD2 TYR B 301 60.277 12.440 -5.399 1.00 0.00 C -ATOM 5144 CE1 TYR B 301 63.000 12.715 -4.945 1.00 0.00 C -ATOM 5145 CE2 TYR B 301 61.178 12.312 -6.454 1.00 0.00 C -ATOM 5146 CZ TYR B 301 62.532 12.453 -6.215 1.00 0.00 C -ATOM 5147 OH TYR B 301 63.416 12.341 -7.250 1.00 0.00 O -ATOM 5148 N ASN B 302 61.282 15.778 -3.242 1.00 0.00 N -ATOM 5149 CA ASN B 302 62.566 16.447 -3.043 1.00 0.00 C -ATOM 5150 C ASN B 302 62.522 17.399 -1.884 1.00 0.00 C -ATOM 5151 O ASN B 302 63.348 17.276 -0.977 1.00 0.00 O -ATOM 5152 CB ASN B 302 62.995 17.181 -4.308 1.00 0.00 C -ATOM 5153 CG ASN B 302 63.734 16.293 -5.245 1.00 0.00 C -ATOM 5154 OD1 ASN B 302 63.461 16.257 -6.439 1.00 0.00 O -ATOM 5155 ND2 ASN B 302 64.687 15.557 -4.707 1.00 0.00 N -ATOM 5156 N PRO B 303 61.578 18.366 -1.890 1.00 0.00 N -ATOM 5157 CA PRO B 303 61.505 19.309 -0.783 1.00 0.00 C -ATOM 5158 C PRO B 303 61.397 18.607 0.558 1.00 0.00 C -ATOM 5159 O PRO B 303 61.846 19.136 1.563 1.00 0.00 O -ATOM 5160 CB PRO B 303 60.263 20.132 -1.123 1.00 0.00 C -ATOM 5161 CG PRO B 303 60.271 20.162 -2.593 1.00 0.00 C -ATOM 5162 CD PRO B 303 60.583 18.718 -2.923 1.00 0.00 C -ATOM 5163 N VAL B 304 60.826 17.412 0.585 1.00 0.68 N -ATOM 5164 CA VAL B 304 60.687 16.712 1.853 1.00 0.68 C -ATOM 5165 C VAL B 304 62.027 16.170 2.353 1.00 0.68 C -ATOM 5166 O VAL B 304 62.319 16.256 3.552 1.00 0.68 O -ATOM 5167 CB VAL B 304 59.691 15.562 1.734 1.00 0.68 C -ATOM 5168 CG1 VAL B 304 59.421 14.994 3.119 1.00 0.68 C -ATOM 5169 CG2 VAL B 304 58.404 16.055 1.067 1.00 0.68 C -ATOM 5170 N ILE B 305 62.828 15.603 1.454 1.00 0.00 N -ATOM 5171 CA ILE B 305 64.127 15.072 1.850 1.00 0.00 C -ATOM 5172 C ILE B 305 64.869 16.204 2.508 1.00 0.00 C -ATOM 5173 O ILE B 305 65.346 16.082 3.623 1.00 0.00 O -ATOM 5174 CB ILE B 305 64.968 14.587 0.624 1.00 0.00 C -ATOM 5175 CG1 ILE B 305 64.174 13.594 -0.218 1.00 0.00 C -ATOM 5176 CG2 ILE B 305 66.246 13.901 1.109 1.00 0.00 C -ATOM 5177 CD1 ILE B 305 64.976 12.990 -1.332 1.00 0.00 C -ATOM 5178 N TYR B 306 64.919 17.313 1.788 1.00 0.00 N -ATOM 5179 CA TYR B 306 65.589 18.539 2.176 1.00 0.00 C -ATOM 5180 C TYR B 306 65.266 18.971 3.595 1.00 0.00 C -ATOM 5181 O TYR B 306 66.181 19.157 4.381 1.00 0.00 O -ATOM 5182 CB TYR B 306 65.165 19.613 1.186 1.00 0.00 C -ATOM 5183 CG TYR B 306 66.047 20.831 1.085 1.00 0.00 C -ATOM 5184 CD1 TYR B 306 67.391 20.800 1.468 1.00 0.00 C -ATOM 5185 CD2 TYR B 306 65.559 21.986 0.474 1.00 0.00 C -ATOM 5186 CE1 TYR B 306 68.220 21.891 1.223 1.00 0.00 C -ATOM 5187 CE2 TYR B 306 66.370 23.070 0.226 1.00 0.00 C -ATOM 5188 CZ TYR B 306 67.696 23.024 0.593 1.00 0.00 C -ATOM 5189 OH TYR B 306 68.482 24.108 0.278 1.00 0.00 O -ATOM 5190 N ILE B 307 63.987 19.150 3.914 1.00 0.12 N -ATOM 5191 CA ILE B 307 63.565 19.583 5.251 1.00 0.12 C -ATOM 5192 C ILE B 307 63.977 18.582 6.302 1.00 0.12 C -ATOM 5193 O ILE B 307 64.398 18.955 7.397 1.00 0.12 O -ATOM 5194 CB ILE B 307 62.049 19.713 5.339 1.00 0.12 C -ATOM 5195 CG1 ILE B 307 61.582 20.922 4.538 1.00 0.12 C -ATOM 5196 CG2 ILE B 307 61.626 19.807 6.787 1.00 0.12 C -ATOM 5197 CD1 ILE B 307 60.095 20.954 4.338 1.00 0.12 C -ATOM 5198 N MET B 308 63.831 17.308 5.978 1.00 0.07 N -ATOM 5199 CA MET B 308 64.171 16.253 6.901 1.00 0.07 C -ATOM 5200 C MET B 308 65.672 16.053 6.993 1.00 0.07 C -ATOM 5201 O MET B 308 66.165 15.728 8.072 1.00 0.07 O -ATOM 5202 CB MET B 308 63.507 14.966 6.438 1.00 0.07 C -ATOM 5203 CG MET B 308 62.002 15.035 6.395 1.00 0.07 C -ATOM 5204 SD MET B 308 61.289 13.937 7.630 1.00 0.07 S -ATOM 5205 CE MET B 308 60.806 12.465 6.629 1.00 0.07 C -ATOM 5206 N MET B 309 66.394 16.278 5.892 1.00 0.52 N -ATOM 5207 CA MET B 309 67.840 16.034 5.839 1.00 0.52 C -ATOM 5208 C MET B 309 68.722 17.247 5.813 1.00 0.52 C -ATOM 5209 O MET B 309 69.871 17.095 5.430 1.00 0.52 O -ATOM 5210 CB MET B 309 68.205 15.197 4.615 1.00 0.52 C -ATOM 5211 CG MET B 309 67.666 13.807 4.634 1.00 0.52 C -ATOM 5212 SD MET B 309 68.635 12.723 3.598 1.00 0.52 S -ATOM 5213 CE MET B 309 69.626 11.882 4.804 1.00 0.52 C -ATOM 5214 N ASN B 310 68.263 18.428 6.185 1.00 0.00 N -ATOM 5215 CA ASN B 310 69.196 19.549 6.140 1.00 0.00 C -ATOM 5216 C ASN B 310 68.854 20.583 7.196 1.00 0.00 C -ATOM 5217 O ASN B 310 68.140 21.553 6.933 1.00 0.00 O -ATOM 5218 CB ASN B 310 69.222 20.152 4.736 1.00 0.00 C -ATOM 5219 CG ASN B 310 70.485 20.940 4.470 1.00 0.00 C -ATOM 5220 OD1 ASN B 310 70.506 22.151 4.636 1.00 0.00 O -ATOM 5221 ND2 ASN B 310 71.553 20.249 4.069 1.00 0.00 N -ATOM 5222 N LYS B 311 69.390 20.355 8.394 1.00 0.15 N -ATOM 5223 CA LYS B 311 69.172 21.204 9.564 1.00 0.15 C -ATOM 5224 C LYS B 311 69.198 22.667 9.206 1.00 0.15 C -ATOM 5225 O LYS B 311 68.293 23.408 9.547 1.00 0.15 O -ATOM 5226 CB LYS B 311 70.249 20.902 10.616 1.00 0.15 C -ATOM 5227 CG LYS B 311 70.218 21.773 11.880 1.00 0.15 C -ATOM 5228 CD LYS B 311 69.805 20.976 13.125 1.00 0.15 C -ATOM 5229 CE LYS B 311 70.414 21.556 14.420 1.00 0.15 C -ATOM 5230 NZ LYS B 311 71.895 21.296 14.581 1.00 0.15 N -ATOM 5231 N GLN B 312 70.242 23.081 8.514 1.00 0.00 N -ATOM 5232 CA GLN B 312 70.381 24.472 8.147 1.00 0.00 C -ATOM 5233 C GLN B 312 69.137 24.986 7.494 1.00 0.00 C -ATOM 5234 O GLN B 312 68.585 25.981 7.943 1.00 0.00 O -ATOM 5235 CB GLN B 312 71.581 24.652 7.221 1.00 0.00 C -ATOM 5236 CG GLN B 312 71.709 26.057 6.666 1.00 0.00 C -ATOM 5237 CD GLN B 312 72.992 26.251 5.885 1.00 0.00 C -ATOM 5238 OE1 GLN B 312 73.177 27.267 5.197 1.00 0.00 O -ATOM 5239 NE2 GLN B 312 73.896 25.275 5.988 1.00 0.00 N -ATOM 5240 N PHE B 313 68.698 24.310 6.439 1.00 0.00 N -ATOM 5241 CA PHE B 313 67.509 24.713 5.707 1.00 0.00 C -ATOM 5242 C PHE B 313 66.279 24.628 6.586 1.00 0.00 C -ATOM 5243 O PHE B 313 65.448 25.541 6.586 1.00 0.00 O -ATOM 5244 CB PHE B 313 67.295 23.822 4.489 1.00 0.00 C -ATOM 5245 CG PHE B 313 66.069 24.183 3.703 1.00 0.00 C -ATOM 5246 CD1 PHE B 313 65.991 25.403 3.032 1.00 0.00 C -ATOM 5247 CD2 PHE B 313 64.973 23.333 3.668 1.00 0.00 C -ATOM 5248 CE1 PHE B 313 64.845 25.773 2.339 1.00 0.00 C -ATOM 5249 CE2 PHE B 313 63.819 23.699 2.975 1.00 0.00 C -ATOM 5250 CZ PHE B 313 63.760 24.922 2.311 1.00 0.00 C -ATOM 5251 N ARG B 314 66.158 23.525 7.315 1.00 0.04 N -ATOM 5252 CA ARG B 314 65.025 23.296 8.202 1.00 0.04 C -ATOM 5253 C ARG B 314 64.836 24.489 9.147 1.00 0.04 C -ATOM 5254 O ARG B 314 63.777 25.115 9.129 1.00 0.04 O -ATOM 5255 CB ARG B 314 65.265 22.008 9.006 1.00 0.04 C -ATOM 5256 CG ARG B 314 64.032 21.395 9.683 1.00 0.04 C -ATOM 5257 CD ARG B 314 64.452 20.311 10.675 1.00 0.04 C -ATOM 5258 NE ARG B 314 65.364 19.336 10.086 1.00 0.04 N -ATOM 5259 CZ ARG B 314 66.449 18.869 10.694 1.00 0.04 C -ATOM 5260 NH1 ARG B 314 66.766 19.290 11.909 1.00 0.04 N -ATOM 5261 NH2 ARG B 314 67.211 17.966 10.091 1.00 0.04 N -ATOM 5262 N ASN B 315 65.861 24.803 9.947 1.00 0.01 N -ATOM 5263 CA ASN B 315 65.821 25.894 10.938 1.00 0.01 C -ATOM 5264 C ASN B 315 65.600 27.244 10.296 1.00 0.01 C -ATOM 5265 O ASN B 315 64.863 28.077 10.830 1.00 0.01 O -ATOM 5266 CB ASN B 315 67.129 25.909 11.757 1.00 0.01 C -ATOM 5267 CG ASN B 315 67.194 24.772 12.786 1.00 0.01 C -ATOM 5268 OD1 ASN B 315 68.264 24.398 13.252 1.00 0.01 O -ATOM 5269 ND2 ASN B 315 66.034 24.234 13.150 1.00 0.01 N -ATOM 5270 N CYS B 316 66.226 27.467 9.153 1.00 0.00 N -ATOM 5271 CA CYS B 316 66.100 28.736 8.476 1.00 0.00 C -ATOM 5272 C CYS B 316 64.691 28.888 7.887 1.00 0.00 C -ATOM 5273 O CYS B 316 64.210 29.994 7.724 1.00 0.00 O -ATOM 5274 CB CYS B 316 67.257 28.844 7.465 1.00 0.00 C -ATOM 5275 SG CYS B 316 68.883 28.708 8.393 1.00 0.00 S -ATOM 5276 N MET B 317 64.008 27.773 7.643 1.00 5.82 N -ATOM 5277 CA MET B 317 62.636 27.788 7.110 1.00 5.82 C -ATOM 5278 C MET B 317 61.601 28.123 8.201 1.00 5.82 C -ATOM 5279 O MET B 317 60.690 28.921 7.969 1.00 5.82 O -ATOM 5280 CB MET B 317 62.294 26.426 6.508 1.00 5.82 C -ATOM 5281 CG MET B 317 60.799 26.114 6.517 1.00 5.82 C -ATOM 5282 SD MET B 317 60.402 24.473 5.861 1.00 5.82 S -ATOM 5283 CE MET B 317 60.324 23.427 7.377 1.00 5.82 C -ATOM 5284 N VAL B 318 61.721 27.488 9.365 1.00 0.14 N -ATOM 5285 CA VAL B 318 60.814 27.735 10.479 1.00 0.14 C -ATOM 5286 C VAL B 318 60.974 29.174 10.930 1.00 0.14 C -ATOM 5287 O VAL B 318 60.058 29.749 11.517 1.00 0.14 O -ATOM 5288 CB VAL B 318 61.110 26.786 11.653 1.00 0.14 C -ATOM 5289 CG1 VAL B 318 62.577 26.814 11.980 1.00 0.14 C -ATOM 5290 CG2 VAL B 318 60.292 27.190 12.866 1.00 0.14 C -ATOM 5291 N THR B 319 62.141 29.749 10.663 1.00 0.06 N -ATOM 5292 CA THR B 319 62.377 31.134 11.010 1.00 0.06 C -ATOM 5293 C THR B 319 61.478 31.958 10.110 1.00 0.06 C -ATOM 5294 O THR B 319 60.972 32.993 10.532 1.00 0.06 O -ATOM 5295 CB THR B 319 63.841 31.526 10.763 1.00 0.06 C -ATOM 5296 OG1 THR B 319 64.710 30.614 11.444 1.00 0.06 O -ATOM 5297 CG2 THR B 319 64.100 32.901 11.288 1.00 0.06 C -ATOM 5298 N THR B 320 61.275 31.487 8.880 1.00 0.67 N -ATOM 5299 CA THR B 320 60.416 32.168 7.909 1.00 0.67 C -ATOM 5300 C THR B 320 58.959 31.951 8.271 1.00 0.67 C -ATOM 5301 O THR B 320 58.130 32.823 8.049 1.00 0.67 O -ATOM 5302 CB THR B 320 60.649 31.639 6.477 1.00 0.67 C -ATOM 5303 OG1 THR B 320 61.975 31.963 6.060 1.00 0.67 O -ATOM 5304 CG2 THR B 320 59.670 32.259 5.500 1.00 0.67 C -ATOM 5305 N LEU B 321 58.650 30.793 8.837 1.00 0.02 N -ATOM 5306 CA LEU B 321 57.280 30.480 9.209 1.00 0.02 C -ATOM 5307 C LEU B 321 56.871 31.172 10.493 1.00 0.02 C -ATOM 5308 O LEU B 321 55.675 31.413 10.690 1.00 0.02 O -ATOM 5309 CB LEU B 321 57.097 28.973 9.368 1.00 0.02 C -ATOM 5310 CG LEU B 321 57.230 28.102 8.121 1.00 0.02 C -ATOM 5311 CD1 LEU B 321 57.180 26.666 8.576 1.00 0.02 C -ATOM 5312 CD2 LEU B 321 56.121 28.385 7.107 1.00 0.02 C -ATOM 5313 N CYS B 322 57.819 31.478 11.374 1.00 0.04 N -ATOM 5314 CA CYS B 322 57.446 32.148 12.611 1.00 0.04 C -ATOM 5315 C CYS B 322 57.412 33.597 12.349 1.00 0.04 C -ATOM 5316 O CYS B 322 57.657 34.404 13.244 1.00 0.04 O -ATOM 5317 CB CYS B 322 58.339 31.785 13.775 1.00 0.04 C -ATOM 5318 SG CYS B 322 58.097 30.038 14.099 1.00 0.04 S -ATOM 5319 N CYS B 323 57.050 33.904 11.103 1.00 9.17 N -ATOM 5320 CA CYS B 323 56.937 35.263 10.612 1.00 9.17 C -ATOM 5321 C CYS B 323 58.202 35.981 10.970 1.00 9.17 C -ATOM 5322 O CYS B 323 59.131 36.063 10.150 1.00 9.17 O -ATOM 5323 CB CYS B 323 55.720 35.937 11.230 1.00 9.17 C -ATOM 5324 SG CYS B 323 54.165 35.110 10.801 1.00 9.17 S -ATOM 5325 N GLY B 324 58.254 36.487 12.196 1.00 0.12 N -ATOM 5326 CA GLY B 324 59.443 37.175 12.650 1.00 0.12 C -ATOM 5327 C GLY B 324 60.564 36.174 12.846 1.00 0.12 C -ATOM 5328 O GLY B 324 60.903 35.409 11.935 1.00 0.12 O -ATOM 5329 N LYS B 325 61.133 36.174 14.047 1.00 0.68 N -ATOM 5330 CA LYS B 325 62.228 35.276 14.373 1.00 0.68 C -ATOM 5331 C LYS B 325 61.691 34.058 15.109 1.00 0.68 C -ATOM 5332 O LYS B 325 60.999 33.235 14.500 1.00 0.68 O -ATOM 5333 CB LYS B 325 63.294 36.014 15.217 1.00 0.68 C -ATOM 5334 CG LYS B 325 63.855 37.302 14.565 1.00 0.68 C -ATOM 5335 CD LYS B 325 64.864 38.022 15.466 1.00 0.68 C -ATOM 5336 CE LYS B 325 65.220 39.421 14.944 1.00 0.68 C -ATOM 5337 NZ LYS B 325 64.131 40.434 15.114 1.00 0.68 N -ATOM 5338 N ASN B 326 61.975 33.960 16.408 1.00 3.64 N -ATOM 5339 CA ASN B 326 61.556 32.810 17.208 1.00 3.64 C -ATOM 5340 C ASN B 326 62.295 31.602 16.659 1.00 3.64 C -ATOM 5341 O ASN B 326 61.662 30.633 16.215 1.00 3.64 O -ATOM 5342 CB ASN B 326 60.036 32.585 17.108 1.00 3.64 C -ATOM 5343 CG ASN B 326 59.267 33.185 18.280 1.00 3.64 C -ATOM 5344 OD1 ASN B 326 59.471 32.812 19.444 1.00 3.64 O -ATOM 5345 ND2 ASN B 326 58.370 34.115 17.972 1.00 3.64 N -ATOM 5346 N PRO B 327 63.645 31.640 16.673 1.00 0.00 N -ATOM 5347 CA PRO B 327 64.402 30.500 16.146 1.00 0.00 C -ATOM 5348 C PRO B 327 64.134 29.241 16.943 1.00 0.00 C -ATOM 5349 O PRO B 327 64.235 28.138 16.393 1.00 0.00 O -ATOM 5350 CB PRO B 327 65.854 30.970 16.259 1.00 0.00 C -ATOM 5351 CG PRO B 327 65.829 31.795 17.528 1.00 0.00 C -ATOM 5352 CD PRO B 327 64.541 32.598 17.361 1.00 0.00 C -ATOM 5353 N LEU B 328 63.763 29.423 18.215 1.00 0.00 N -ATOM 5354 CA LEU B 328 63.507 28.330 19.152 1.00 0.00 C -ATOM 5355 C LEU B 328 64.433 27.185 18.826 1.00 0.00 C -ATOM 5356 O LEU B 328 65.599 27.451 18.531 1.00 0.00 O -ATOM 5357 CB LEU B 328 62.034 27.889 19.121 1.00 0.00 C -ATOM 5358 CG LEU B 328 60.989 28.806 19.783 1.00 0.00 C -ATOM 5359 CD1 LEU B 328 61.462 29.272 21.151 1.00 0.00 C -ATOM 5360 CD2 LEU B 328 60.737 30.000 18.898 1.00 0.00 C -ATOM 5361 N GLY B 329 63.948 25.945 18.866 1.00 0.02 N -ATOM 5362 CA GLY B 329 64.814 24.811 18.568 1.00 0.02 C -ATOM 5363 C GLY B 329 66.243 25.039 19.062 1.00 0.02 C -ATOM 5364 O GLY B 329 66.451 25.466 20.209 1.00 0.02 O -ATOM 5365 N ASP B 330 67.229 24.763 18.205 1.00 0.04 N -ATOM 5366 CA ASP B 330 68.635 24.966 18.566 1.00 0.04 C -ATOM 5367 C ASP B 330 69.370 25.610 17.407 1.00 0.04 C -ATOM 5368 O ASP B 330 70.510 25.219 17.096 1.00 0.04 O -ATOM 5369 CB ASP B 330 69.300 23.639 18.942 1.00 0.04 C -ATOM 5370 CG ASP B 330 69.872 23.668 20.337 1.00 0.04 C -ATOM 5371 OD1 ASP B 330 70.649 24.599 20.629 1.00 0.04 O -ATOM 5372 OD2 ASP B 330 69.542 22.773 21.139 1.00 0.04 O -ATOM 5373 N ASP B 331 68.718 26.608 16.801 1.00 0.09 N -ATOM 5374 CA ASP B 331 69.228 27.342 15.643 1.00 0.09 C -ATOM 5375 C ASP B 331 69.917 26.396 14.706 1.00 0.09 C -ATOM 5376 O ASP B 331 69.887 25.175 14.920 1.00 0.09 O -ATOM 5377 CB ASP B 331 70.195 28.462 16.050 1.00 0.09 C -ATOM 5378 CG ASP B 331 69.475 29.725 16.486 1.00 0.09 C -ATOM 5379 OD1 ASP B 331 70.055 30.821 16.323 1.00 0.09 O -ATOM 5380 OD2 ASP B 331 68.339 29.624 16.998 1.00 0.09 O -ATOM 5381 N GLU B 332 70.527 26.935 13.659 1.00 0.00 N -ATOM 5382 CA GLU B 332 71.225 26.086 12.713 1.00 0.00 C -ATOM 5383 C GLU B 332 72.508 25.564 13.389 1.00 0.00 C -ATOM 5384 O GLU B 332 73.102 24.582 12.921 1.00 0.00 O -ATOM 5385 CB GLU B 332 71.538 26.897 11.456 1.00 0.00 C -ATOM 5386 CG GLU B 332 71.788 26.089 10.191 1.00 0.00 C -ATOM 5387 CD GLU B 332 73.021 25.168 10.246 1.00 0.00 C -ATOM 5388 OE1 GLU B 332 72.907 24.016 10.728 1.00 0.00 O -ATOM 5389 OE2 GLU B 332 74.110 25.595 9.798 1.00 0.00 O -ATOM 5390 N ALA B 333 72.890 26.191 14.508 1.00 0.23 N -ATOM 5391 CA ALA B 333 74.108 25.842 15.265 1.00 0.23 C -ATOM 5392 C ALA B 333 75.293 26.536 14.582 1.00 0.23 C -ATOM 5393 O ALA B 333 76.024 27.316 15.226 1.00 0.23 O -ATOM 5394 CB ALA B 333 74.317 24.302 15.307 1.00 0.23 C -ATOM 5395 N SER B 334 75.467 26.243 13.289 1.00 0.08 N -ATOM 5396 CA SER B 334 76.503 26.857 12.449 1.00 0.08 C -ATOM 5397 C SER B 334 75.882 28.160 11.934 1.00 0.08 C -ATOM 5398 O SER B 334 75.355 28.941 12.743 1.00 0.08 O -ATOM 5399 CB SER B 334 76.856 25.945 11.248 1.00 0.08 C -ATOM 5400 OG SER B 334 77.244 24.636 11.644 1.00 0.08 O -ATOM 5401 N THR B 335 75.917 28.384 10.620 1.00 0.40 N -ATOM 5402 CA THR B 335 75.321 29.582 10.017 1.00 0.40 C -ATOM 5403 C THR B 335 73.778 29.496 10.162 1.00 0.40 C -ATOM 5404 O THR B 335 73.266 28.406 10.348 1.00 0.40 O -ATOM 5405 CB THR B 335 75.755 29.695 8.519 1.00 0.40 C -ATOM 5406 OG1 THR B 335 75.520 28.445 7.849 1.00 0.40 O -ATOM 5407 CG2 THR B 335 77.252 30.037 8.418 1.00 0.40 C -ATOM 5408 N THR B 336 73.051 30.615 10.106 1.00 0.06 N -ATOM 5409 CA THR B 336 71.582 30.577 10.254 1.00 0.06 C -ATOM 5410 C THR B 336 70.893 31.513 9.260 1.00 0.06 C -ATOM 5411 O THR B 336 70.058 31.073 8.469 1.00 0.06 O -ATOM 5412 CB THR B 336 71.136 30.982 11.692 1.00 0.06 C -ATOM 5413 OG1 THR B 336 71.872 32.142 12.122 1.00 0.06 O -ATOM 5414 CG2 THR B 336 71.350 29.829 12.672 1.00 0.06 C -ATOM 5415 N VAL B 337 71.252 32.794 9.333 1.00 2.06 N -ATOM 5416 CA VAL B 337 70.749 33.903 8.498 1.00 2.06 C -ATOM 5417 C VAL B 337 69.338 33.796 7.944 1.00 2.06 C -ATOM 5418 O VAL B 337 68.621 32.818 8.130 1.00 2.06 O -ATOM 5419 CB VAL B 337 71.726 34.249 7.318 1.00 2.06 C -ATOM 5420 CG1 VAL B 337 73.066 33.536 7.519 1.00 2.06 C -ATOM 5421 CG2 VAL B 337 71.068 33.959 5.967 1.00 2.06 C -ATOM 5422 N SER B 338 68.961 34.874 7.268 1.00 0.00 N -ATOM 5423 CA SER B 338 67.666 35.014 6.646 1.00 0.00 C -ATOM 5424 C SER B 338 67.726 36.215 5.722 1.00 0.00 C -ATOM 5425 O SER B 338 68.804 36.491 5.176 1.00 0.00 O -ATOM 5426 CB SER B 338 66.604 35.205 7.718 1.00 0.00 C -ATOM 5427 OG SER B 338 66.739 34.205 8.719 1.00 0.00 O -ATOM 5428 N LYS B 339 66.608 36.924 5.541 1.00 0.01 N -ATOM 5429 CA LYS B 339 66.584 38.096 4.654 1.00 0.01 C -ATOM 5430 C LYS B 339 67.296 39.266 5.344 1.00 0.01 C -ATOM 5431 O LYS B 339 68.060 39.996 4.682 1.00 0.01 O -ATOM 5432 CB LYS B 339 65.125 38.472 4.287 1.00 0.01 C -ATOM 5433 CG LYS B 339 64.962 39.388 3.043 1.00 0.01 C -ATOM 5434 CD LYS B 339 64.392 38.663 1.799 1.00 0.01 C -ATOM 5435 CE LYS B 339 62.873 38.420 1.890 1.00 0.01 C -ATOM 5436 NZ LYS B 339 62.293 37.667 0.725 1.00 0.01 N -ATOM 5437 N THR B 340 67.065 39.428 6.653 1.00 0.10 N -ATOM 5438 CA THR B 340 67.685 40.507 7.442 1.00 0.10 C -ATOM 5439 C THR B 340 67.996 40.053 8.884 1.00 0.10 C -ATOM 5440 O THR B 340 69.133 40.231 9.335 1.00 0.10 O -ATOM 5441 CB THR B 340 66.775 41.799 7.490 1.00 0.10 C -ATOM 5442 OG1 THR B 340 67.490 42.879 8.116 1.00 0.10 O -ATOM 5443 CG2 THR B 340 65.476 41.535 8.266 1.00 0.10 C -ATOM 5444 N GLU B 341 67.008 39.479 9.578 1.00 0.06 N -ATOM 5445 CA GLU B 341 67.127 39.009 10.975 1.00 0.06 C -ATOM 5446 C GLU B 341 68.529 38.489 11.344 1.00 0.06 C -ATOM 5447 O GLU B 341 69.280 39.211 12.023 1.00 0.06 O -ATOM 5448 CB GLU B 341 66.090 37.915 11.238 1.00 0.06 C -ATOM 5449 CG GLU B 341 65.981 36.962 10.076 1.00 0.06 C -ATOM 5450 CD GLU B 341 65.442 35.611 10.454 1.00 0.06 C -ATOM 5451 OE1 GLU B 341 66.087 34.908 11.274 1.00 0.06 O -ATOM 5452 OE2 GLU B 341 64.376 35.254 9.906 1.00 0.06 O -ATOM 5453 N THR B 342 68.866 37.258 10.940 1.00 0.04 N -ATOM 5454 CA THR B 342 70.179 36.663 11.242 1.00 0.04 C -ATOM 5455 C THR B 342 71.041 36.525 9.954 1.00 0.04 C -ATOM 5456 O THR B 342 71.994 35.727 9.940 1.00 0.04 O -ATOM 5457 CB THR B 342 70.004 35.264 11.995 1.00 0.04 C -ATOM 5458 OG1 THR B 342 71.284 34.635 12.188 1.00 0.04 O -ATOM 5459 CG2 THR B 342 69.054 34.328 11.229 1.00 0.04 C -ATOM 5460 N SER B 343 70.728 37.335 8.925 1.00 0.00 N -ATOM 5461 CA SER B 343 71.399 37.366 7.597 1.00 0.00 C -ATOM 5462 C SER B 343 72.875 37.834 7.636 1.00 0.00 C -ATOM 5463 O SER B 343 73.587 37.723 6.613 1.00 0.00 O -ATOM 5464 CB SER B 343 70.608 38.273 6.637 1.00 0.00 C -ATOM 5465 OG SER B 343 71.261 38.418 5.383 1.00 0.00 O -ATOM 5466 N GLN B 344 73.312 38.357 8.782 1.00 0.00 N -ATOM 5467 CA GLN B 344 74.681 38.834 8.999 1.00 0.00 C -ATOM 5468 C GLN B 344 75.703 37.781 8.547 1.00 0.00 C -ATOM 5469 O GLN B 344 75.746 36.673 9.103 1.00 0.00 O -ATOM 5470 CB GLN B 344 74.858 39.144 10.492 1.00 0.00 C -ATOM 5471 CG GLN B 344 74.414 37.984 11.396 1.00 0.00 C -ATOM 5472 CD GLN B 344 73.902 38.426 12.769 1.00 0.00 C -ATOM 5473 OE1 GLN B 344 73.117 39.378 12.878 1.00 0.00 O -ATOM 5474 NE2 GLN B 344 74.324 37.715 13.822 1.00 0.00 N -ATOM 5475 N VAL B 345 76.519 38.125 7.549 1.00 0.00 N -ATOM 5476 CA VAL B 345 77.530 37.200 7.038 1.00 0.00 C -ATOM 5477 C VAL B 345 78.789 37.208 7.933 1.00 0.00 C -ATOM 5478 O VAL B 345 79.221 38.257 8.430 1.00 0.00 O -ATOM 5479 CB VAL B 345 77.918 37.526 5.532 1.00 0.00 C -ATOM 5480 CG1 VAL B 345 76.649 37.665 4.683 1.00 0.00 C -ATOM 5481 CG2 VAL B 345 78.771 38.794 5.439 1.00 0.00 C -ATOM 5482 N ALA B 346 79.343 36.023 8.164 1.00 0.01 N -ATOM 5483 CA ALA B 346 80.555 35.865 8.961 1.00 0.01 C -ATOM 5484 C ALA B 346 81.415 34.785 8.288 1.00 0.01 C -ATOM 5485 O ALA B 346 81.740 33.772 8.921 1.00 0.01 O -ATOM 5486 CB ALA B 346 80.190 35.460 10.390 1.00 0.01 C -ATOM 5487 N PRO B 347 81.772 34.983 6.993 1.00 0.02 N -ATOM 5488 CA PRO B 347 82.581 34.109 6.122 1.00 0.02 C -ATOM 5489 C PRO B 347 84.106 33.958 6.347 1.00 0.02 C -ATOM 5490 O PRO B 347 84.549 32.981 6.969 1.00 0.02 O -ATOM 5491 CB PRO B 347 82.291 34.670 4.728 1.00 0.02 C -ATOM 5492 CG PRO B 347 80.942 35.292 4.855 1.00 0.02 C -ATOM 5493 CD PRO B 347 81.111 36.012 6.162 1.00 0.02 C -ATOM 5494 N ALA B 348 84.888 34.907 5.818 1.00 0.00 N -ATOM 5495 CA ALA B 348 86.354 34.868 5.906 1.00 0.00 C -ATOM 5496 C ALA B 348 87.006 36.271 6.000 1.00 0.00 C -ATOM 5497 O ALA B 348 87.560 36.762 4.981 1.00 0.00 O -ATOM 5498 CB ALA B 348 86.912 34.103 4.692 1.00 0.00 C -ATOM 5499 OXT ALA B 348 86.976 36.871 7.100 1.00 0.00 O -TER 5500 ALA B 348 -HETATM 5501 C1 NAG C 1 60.022 3.630 36.341 1.00 0.01 C -HETATM 5502 C2 NAG C 1 59.172 4.836 36.710 1.00 0.01 C -HETATM 5503 C3 NAG C 1 60.075 6.036 37.005 1.00 0.01 C -HETATM 5504 C4 NAG C 1 61.062 5.669 38.115 1.00 0.01 C -HETATM 5505 C5 NAG C 1 61.831 4.387 37.736 1.00 0.01 C -HETATM 5506 C6 NAG C 1 62.629 3.885 38.903 1.00 0.01 C -HETATM 5507 C7 NAG C 1 57.083 5.681 35.853 1.00 0.01 C -HETATM 5508 C8 NAG C 1 56.137 4.966 36.811 1.00 0.01 C -HETATM 5509 N2 NAG C 1 58.269 5.130 35.619 1.00 0.01 N -HETATM 5510 O3 NAG C 1 59.286 7.146 37.406 1.00 0.01 O -HETATM 5511 O4 NAG C 1 61.986 6.756 38.324 1.00 0.01 O -HETATM 5512 O5 NAG C 1 60.918 3.312 37.408 1.00 0.01 O -HETATM 5513 O6 NAG C 1 61.760 3.429 39.935 1.00 0.01 O -HETATM 5514 O7 NAG C 1 56.725 6.716 35.309 1.00 0.01 O -HETATM 5515 C1 NAG C 2 61.664 7.711 39.289 1.00 0.34 C -HETATM 5516 C2 NAG C 2 62.925 8.088 40.054 1.00 0.34 C -HETATM 5517 C3 NAG C 2 62.651 9.208 41.043 1.00 0.34 C -HETATM 5518 C4 NAG C 2 61.993 10.418 40.372 1.00 0.34 C -HETATM 5519 C5 NAG C 2 60.768 9.930 39.556 1.00 0.34 C -HETATM 5520 C6 NAG C 2 60.094 11.021 38.744 1.00 0.34 C -HETATM 5521 C7 NAG C 2 64.424 6.213 40.301 1.00 0.34 C -HETATM 5522 C8 NAG C 2 65.166 6.678 39.045 1.00 0.34 C -HETATM 5523 N2 NAG C 2 63.415 6.937 40.775 1.00 0.34 N -HETATM 5524 O3 NAG C 2 63.872 9.607 41.641 1.00 0.34 O -HETATM 5525 O4 NAG C 2 61.560 11.336 41.415 1.00 0.34 O -HETATM 5526 O5 NAG C 2 61.146 8.882 38.625 1.00 0.34 O -HETATM 5527 O6 NAG C 2 58.932 11.516 39.410 1.00 0.34 O -HETATM 5528 O7 NAG C 2 64.776 5.178 40.850 1.00 0.34 O -HETATM 5529 C1 MAN C 3 62.066 12.640 41.472 1.00 0.84 C -HETATM 5530 C2 MAN C 3 63.047 12.780 42.671 1.00 0.84 C -HETATM 5531 C3 MAN C 3 63.477 14.243 42.879 1.00 0.84 C -HETATM 5532 C4 MAN C 3 62.270 15.209 42.892 1.00 0.84 C -HETATM 5533 C5 MAN C 3 61.275 14.940 41.748 1.00 0.84 C -HETATM 5534 C6 MAN C 3 61.746 15.411 40.385 1.00 0.84 C -HETATM 5535 O2 MAN C 3 64.208 11.980 42.474 1.00 0.84 O -HETATM 5536 O3 MAN C 3 64.413 14.638 41.879 1.00 0.84 O -HETATM 5537 O4 MAN C 3 61.589 15.131 44.140 1.00 0.84 O -HETATM 5538 O5 MAN C 3 60.931 13.525 41.656 1.00 0.84 O -HETATM 5539 O6 MAN C 3 61.115 16.633 40.029 1.00 0.84 O -HETATM 5540 C1 NAG D 1 49.589 -8.913 30.574 1.00 0.01 C -HETATM 5541 C2 NAG D 1 48.429 -9.294 31.508 1.00 0.01 C -HETATM 5542 C3 NAG D 1 48.089 -10.793 31.338 1.00 0.01 C -HETATM 5543 C4 NAG D 1 47.983 -11.195 29.860 1.00 0.01 C -HETATM 5544 C5 NAG D 1 49.187 -10.704 29.065 1.00 0.01 C -HETATM 5545 C6 NAG D 1 49.029 -10.949 27.577 1.00 0.01 C -HETATM 5546 C7 NAG D 1 48.120 -8.104 33.613 1.00 0.01 C -HETATM 5547 C8 NAG D 1 46.809 -8.524 34.267 1.00 0.01 C -HETATM 5548 N2 NAG D 1 48.784 -9.015 32.898 1.00 0.01 N -HETATM 5549 O3 NAG D 1 46.848 -11.065 31.975 1.00 0.01 O -HETATM 5550 O4 NAG D 1 47.876 -12.623 29.739 1.00 0.01 O -HETATM 5551 O5 NAG D 1 49.313 -9.290 29.230 1.00 0.01 O -HETATM 5552 O6 NAG D 1 48.238 -9.935 26.970 1.00 0.01 O -HETATM 5553 O7 NAG D 1 48.532 -6.954 33.778 1.00 0.01 O -HETATM 5554 C1 NAG D 2 46.626 -13.060 29.352 1.00 0.34 C -HETATM 5555 C2 NAG D 2 46.723 -14.421 28.686 1.00 0.34 C -HETATM 5556 C3 NAG D 2 45.318 -14.864 28.251 1.00 0.34 C -HETATM 5557 C4 NAG D 2 44.344 -14.818 29.451 1.00 0.34 C -HETATM 5558 C5 NAG D 2 44.441 -13.452 30.184 1.00 0.34 C -HETATM 5559 C6 NAG D 2 43.653 -13.395 31.483 1.00 0.34 C -HETATM 5560 C7 NAG D 2 48.903 -14.644 27.728 1.00 0.34 C -HETATM 5561 C8 NAG D 2 49.896 -14.063 26.735 1.00 0.34 C -HETATM 5562 N2 NAG D 2 47.617 -14.363 27.551 1.00 0.34 N -HETATM 5563 O3 NAG D 2 45.365 -16.187 27.717 1.00 0.34 O -HETATM 5564 O4 NAG D 2 43.008 -15.042 28.997 1.00 0.34 O -HETATM 5565 O5 NAG D 2 45.813 -13.164 30.518 1.00 0.34 O -HETATM 5566 O6 NAG D 2 43.647 -12.078 32.027 1.00 0.34 O -HETATM 5567 O7 NAG D 2 49.305 -15.337 28.658 1.00 0.34 O -HETATM 5568 C1 NAG E 1 36.614 0.649 -33.271 1.00 0.01 C -HETATM 5569 C2 NAG E 1 36.944 2.015 -33.861 1.00 0.01 C -HETATM 5570 C3 NAG E 1 35.671 2.811 -34.124 1.00 0.01 C -HETATM 5571 C4 NAG E 1 34.682 1.968 -34.937 1.00 0.01 C -HETATM 5572 C5 NAG E 1 34.421 0.658 -34.195 1.00 0.01 C -HETATM 5573 C6 NAG E 1 33.437 -0.264 -34.890 1.00 0.01 C -HETATM 5574 C7 NAG E 1 39.065 2.927 -33.123 1.00 0.01 C -HETATM 5575 C8 NAG E 1 39.736 2.148 -34.250 1.00 0.01 C -HETATM 5576 N2 NAG E 1 37.763 2.748 -32.917 1.00 0.01 N -HETATM 5577 O3 NAG E 1 36.004 3.993 -34.832 1.00 0.01 O -HETATM 5578 O4 NAG E 1 33.448 2.679 -35.122 1.00 0.01 O -HETATM 5579 O5 NAG E 1 35.659 -0.059 -34.068 1.00 0.01 O -HETATM 5580 O6 NAG E 1 34.049 -0.949 -35.971 1.00 0.01 O -HETATM 5581 O7 NAG E 1 39.742 3.690 -32.430 1.00 0.01 O -HETATM 5582 C1 NAG E 2 33.454 3.776 -35.966 1.00 0.34 C -HETATM 5583 C2 NAG E 2 32.060 3.927 -36.570 1.00 0.34 C -HETATM 5584 C3 NAG E 2 31.894 5.246 -37.298 1.00 0.34 C -HETATM 5585 C4 NAG E 2 32.270 6.398 -36.386 1.00 0.34 C -HETATM 5586 C5 NAG E 2 33.691 6.163 -35.858 1.00 0.34 C -HETATM 5587 C6 NAG E 2 34.163 7.214 -34.881 1.00 0.34 C -HETATM 5588 C7 NAG E 2 31.142 1.774 -36.985 1.00 0.34 C -HETATM 5589 C8 NAG E 2 31.372 0.430 -37.654 1.00 0.34 C -HETATM 5590 N2 NAG E 2 31.780 2.830 -37.467 1.00 0.34 N -HETATM 5591 O3 NAG E 2 30.543 5.396 -37.695 1.00 0.34 O -HETATM 5592 O4 NAG E 2 32.214 7.614 -37.149 1.00 0.34 O -HETATM 5593 O5 NAG E 2 33.761 4.910 -35.151 1.00 0.34 O -HETATM 5594 O6 NAG E 2 35.133 6.672 -33.993 1.00 0.34 O -HETATM 5595 O7 NAG E 2 30.398 1.850 -36.009 1.00 0.34 O -HETATM 5596 C1 BMA E 3 31.651 8.727 -36.549 1.00 0.84 C -HETATM 5597 C2 BMA E 3 32.352 9.952 -37.109 1.00 0.84 C -HETATM 5598 C3 BMA E 3 31.758 11.230 -36.534 1.00 0.84 C -HETATM 5599 C4 BMA E 3 30.232 11.242 -36.806 1.00 0.84 C -HETATM 5600 C5 BMA E 3 29.571 9.922 -36.323 1.00 0.84 C -HETATM 5601 C6 BMA E 3 28.097 9.803 -36.697 1.00 0.84 C -HETATM 5602 O2 BMA E 3 32.208 9.964 -38.525 1.00 0.84 O -HETATM 5603 O3 BMA E 3 32.420 12.336 -37.192 1.00 0.84 O -HETATM 5604 O4 BMA E 3 29.623 12.349 -36.149 1.00 0.84 O -HETATM 5605 O5 BMA E 3 30.252 8.772 -36.895 1.00 0.84 O -HETATM 5606 O6 BMA E 3 27.326 9.284 -35.618 1.00 0.84 O -HETATM 5607 C1 BMA E 4 32.139 13.652 -36.798 1.00 0.22 C -HETATM 5608 C2 BMA E 4 32.482 13.847 -35.322 1.00 0.22 C -HETATM 5609 C3 BMA E 4 32.026 15.273 -34.920 1.00 0.22 C -HETATM 5610 C4 BMA E 4 32.747 16.322 -35.781 1.00 0.22 C -HETATM 5611 C5 BMA E 4 32.595 16.001 -37.299 1.00 0.22 C -HETATM 5612 C6 BMA E 4 33.572 16.805 -38.137 1.00 0.22 C -HETATM 5613 O2 BMA E 4 33.890 13.696 -35.176 1.00 0.22 O -HETATM 5614 O3 BMA E 4 32.239 15.537 -33.533 1.00 0.22 O -HETATM 5615 O4 BMA E 4 32.202 17.608 -35.501 1.00 0.22 O -HETATM 5616 O5 BMA E 4 32.879 14.600 -37.581 1.00 0.22 O -HETATM 5617 O6 BMA E 4 34.917 16.472 -37.810 1.00 0.22 O -HETATM 5618 C1 NAG F 1 49.547 -10.003 -29.179 1.00 0.01 C -HETATM 5619 C2 NAG F 1 50.633 -10.197 -30.243 1.00 0.01 C -HETATM 5620 C3 NAG F 1 51.262 -11.592 -30.143 1.00 0.01 C -HETATM 5621 C4 NAG F 1 51.690 -11.898 -28.692 1.00 0.01 C -HETATM 5622 C5 NAG F 1 50.550 -11.612 -27.715 1.00 0.01 C -HETATM 5623 C6 NAG F 1 51.009 -11.726 -26.281 1.00 0.01 C -HETATM 5624 C7 NAG F 1 50.470 -8.917 -32.289 1.00 0.01 C -HETATM 5625 C8 NAG F 1 49.462 -7.793 -32.511 1.00 0.01 C -HETATM 5626 N2 NAG F 1 50.089 -9.978 -31.576 1.00 0.01 N -HETATM 5627 O3 NAG F 1 52.397 -11.642 -31.001 1.00 0.01 O -HETATM 5628 O4 NAG F 1 52.095 -13.277 -28.565 1.00 0.01 O -HETATM 5629 O5 NAG F 1 50.085 -10.262 -27.879 1.00 0.01 O -HETATM 5630 O6 NAG F 1 52.069 -10.817 -26.019 1.00 0.01 O -HETATM 5631 O7 NAG F 1 51.603 -8.812 -32.757 1.00 0.01 O -HETATM 5632 C1 NAG F 2 53.438 -13.485 -28.281 1.00 0.34 C -HETATM 5633 C2 NAG F 2 53.611 -14.795 -27.504 1.00 0.34 C -HETATM 5634 C3 NAG F 2 55.100 -15.193 -27.374 1.00 0.34 C -HETATM 5635 C4 NAG F 2 55.861 -15.083 -28.711 1.00 0.34 C -HETATM 5636 C5 NAG F 2 55.583 -13.711 -29.350 1.00 0.34 C -HETATM 5637 C6 NAG F 2 56.228 -13.545 -30.720 1.00 0.34 C -HETATM 5638 C7 NAG F 2 52.139 -15.466 -25.719 1.00 0.34 C -HETATM 5639 C8 NAG F 2 52.608 -16.562 -24.774 1.00 0.34 C -HETATM 5640 N2 NAG F 2 53.054 -14.619 -26.176 1.00 0.34 N -HETATM 5641 O3 NAG F 2 55.185 -16.525 -26.896 1.00 0.34 O -HETATM 5642 O4 NAG F 2 57.264 -15.258 -28.497 1.00 0.34 O -HETATM 5643 O5 NAG F 2 54.153 -13.534 -29.526 1.00 0.34 O -HETATM 5644 O6 NAG F 2 55.305 -13.828 -31.773 1.00 0.34 O -HETATM 5645 O7 NAG F 2 50.957 -15.399 -26.036 1.00 0.34 O -HETATM 5646 HG HG A 901 40.411 8.354 5.719 0.89 0.00 HG -HETATM 5647 HG HG A 903 20.184 7.350 3.092 0.75 0.00 HG -HETATM 5648 HG HG A 905 29.301 26.708 -10.434 0.58 0.00 HG -HETATM 5649 ZN ZN A 957 37.135 -1.787 32.041 0.66 0.00 ZN -HETATM 5650 ZN ZN A 959 34.185 19.475 -16.677 0.85 0.00 ZN -HETATM 5651 ZN ZN A 962 28.991 12.960 19.179 0.62 0.00 ZN -HETATM 5652 ZN ZN A2011 43.253 10.256 39.493 0.68 0.00 ZN -HETATM 5653 C1 RET A1296 34.693 6.618 17.693 1.00 0.00 C -HETATM 5654 C2 RET A1296 33.949 6.007 16.481 1.00 0.00 C -HETATM 5655 C3 RET A1296 33.295 6.984 15.554 1.00 0.00 C -HETATM 5656 C4 RET A1296 34.250 8.061 15.075 1.00 0.00 C -HETATM 5657 C5 RET A1296 35.073 8.713 16.182 1.00 0.00 C -HETATM 5658 C6 RET A1296 35.369 8.034 17.402 1.00 0.00 C -HETATM 5659 C7 RET A1296 36.337 8.608 18.406 1.00 0.00 C -HETATM 5660 C8 RET A1296 37.438 9.401 18.258 1.00 0.00 C -HETATM 5661 C9 RET A1296 38.431 9.872 19.234 1.00 0.00 C -HETATM 5662 C10 RET A1296 39.519 10.514 18.702 1.00 0.00 C -HETATM 5663 C11 RET A1296 40.671 10.996 19.451 1.00 0.00 C -HETATM 5664 C12 RET A1296 41.798 11.514 18.826 1.00 0.00 C -HETATM 5665 C13 RET A1296 42.539 11.088 17.607 1.00 0.00 C -HETATM 5666 C14 RET A1296 43.680 11.789 17.413 1.00 0.00 C -HETATM 5667 C15 RET A1296 44.708 11.526 16.458 1.00 0.00 C -HETATM 5668 C16 RET A1296 33.641 6.699 18.830 1.00 0.00 C -HETATM 5669 C17 RET A1296 35.742 5.525 18.087 1.00 0.00 C -HETATM 5670 C18 RET A1296 35.454 10.113 15.758 1.00 0.00 C -HETATM 5671 C19 RET A1296 38.163 9.605 20.709 1.00 0.00 C -HETATM 5672 C20 RET A1296 42.077 9.968 16.702 1.00 0.00 C -HETATM 5673 C1 PLM A1322 42.021 28.592 -13.584 1.00 0.00 C -HETATM 5674 O2 PLM A1322 42.869 29.454 -13.411 1.00 0.00 O -HETATM 5675 C2 PLM A1322 42.446 27.124 -13.590 1.00 0.00 C -HETATM 5676 C3 PLM A1322 42.725 26.569 -12.192 1.00 0.00 C -HETATM 5677 C4 PLM A1322 44.184 26.765 -11.815 1.00 0.00 C -HETATM 5678 C5 PLM A1322 44.326 27.121 -10.368 1.00 0.00 C -HETATM 5679 C6 PLM A1322 45.551 26.455 -9.806 1.00 0.00 C -HETATM 5680 C7 PLM A1322 45.206 25.676 -8.557 1.00 0.00 C -HETATM 5681 C8 PLM A1322 46.302 25.797 -7.493 1.00 0.00 C -HETATM 5682 C9 PLM A1322 45.777 25.469 -6.102 1.00 0.00 C -HETATM 5683 CA PLM A1322 46.247 26.471 -5.081 1.00 0.00 C -HETATM 5684 CB PLM A1322 45.072 27.062 -4.346 1.00 0.00 C -HETATM 5685 CC PLM A1322 45.337 27.124 -2.860 1.00 0.00 C -HETATM 5686 CD PLM A1322 44.180 27.782 -2.145 1.00 0.00 C -HETATM 5687 CE PLM A1322 44.688 28.832 -1.188 1.00 0.00 C -HETATM 5688 CF PLM A1322 44.468 28.432 0.262 1.00 0.00 C -HETATM 5689 CG PLM A1322 44.989 29.495 1.230 1.00 0.00 C -HETATM 5690 C1 PLM A1323 44.074 33.720 -11.543 1.00 0.00 C -HETATM 5691 O2 PLM A1323 43.561 33.494 -12.631 1.00 0.00 O -HETATM 5692 C2 PLM A1323 45.440 33.085 -11.232 1.00 0.00 C -HETATM 5693 C3 PLM A1323 45.411 31.562 -11.089 1.00 0.00 C -HETATM 5694 C4 PLM A1323 45.692 31.116 -9.653 1.00 0.00 C -HETATM 5695 C5 PLM A1323 46.548 29.864 -9.606 1.00 0.00 C -HETATM 5696 C6 PLM A1323 48.039 30.184 -9.576 1.00 0.00 C -HETATM 5697 C7 PLM A1323 48.689 29.830 -10.909 1.00 0.00 C -HETATM 5698 C8 PLM A1323 50.198 30.112 -10.937 1.00 0.00 C -HETATM 5699 C9 PLM A1323 50.683 30.461 -12.356 1.00 0.00 C -HETATM 5700 CA PLM A1323 51.759 29.506 -12.869 1.00 0.00 C -HETATM 5701 CB PLM A1323 53.150 29.859 -12.332 1.00 0.00 C -HETATM 5702 CC PLM A1323 54.243 28.973 -12.933 1.00 0.00 C -HETATM 5703 CD PLM A1323 55.278 28.570 -11.888 1.00 0.00 C -HETATM 5704 CE PLM A1323 56.596 29.286 -12.117 1.00 0.00 C -HETATM 5705 CF PLM A1323 57.494 29.254 -10.889 1.00 0.00 C -HETATM 5706 CG PLM A1323 58.792 30.027 -11.120 1.00 0.00 C -HETATM 5707 C1 PLM A1410 51.106 12.159 3.159 1.00 0.00 C -HETATM 5708 C2 PLM A1410 49.803 12.935 3.419 1.00 0.00 C -HETATM 5709 C3 PLM A1410 48.822 12.350 2.365 1.00 0.00 C -HETATM 5710 C4 PLM A1410 47.319 12.515 2.728 1.00 0.00 C -HETATM 5711 C5 PLM A1410 46.133 11.700 2.180 1.00 0.00 C -HETATM 5712 C6 PLM A1410 44.739 12.186 2.581 1.00 0.00 C -HETATM 5713 C7 PLM A1410 43.676 11.281 1.974 1.00 0.00 C -HETATM 5714 C8 PLM A1410 42.944 11.984 0.861 1.00 0.00 C -HETATM 5715 C9 PLM A1410 41.787 11.303 0.015 1.00 0.00 C -HETATM 5716 CA PLM A1410 40.399 11.317 -0.699 1.00 0.00 C -HETATM 5717 CB PLM A1410 40.085 10.164 -1.239 1.00 0.00 C -HETATM 5718 CC PLM A1410 39.096 9.444 -1.082 1.00 0.00 C -HETATM 5719 CD PLM A1410 38.435 8.341 -0.709 1.00 0.00 C -HETATM 5720 CE PLM A1410 36.993 8.099 -0.828 1.00 0.00 C -HETATM 5721 CF PLM A1410 37.109 6.587 -0.903 1.00 0.00 C -HETATM 5722 CG PLM A1410 36.091 5.654 -1.156 1.00 0.00 C -HETATM 5723 C1 HTG A1507 44.758 -7.784 18.868 1.00 0.00 C -HETATM 5724 S1 HTG A1507 43.410 -7.320 17.636 1.00 0.00 S -HETATM 5725 C2 HTG A1507 45.164 -9.331 18.667 1.00 0.00 C -HETATM 5726 O2 HTG A1507 44.010 -10.186 18.834 1.00 0.00 O -HETATM 5727 C3 HTG A1507 46.317 -9.718 19.713 1.00 0.00 C -HETATM 5728 O3 HTG A1507 46.682 -11.106 19.548 1.00 0.00 O -HETATM 5729 C4 HTG A1507 47.580 -8.755 19.478 1.00 0.00 C -HETATM 5730 O4 HTG A1507 48.639 -9.065 20.406 1.00 0.00 O -HETATM 5731 C5 HTG A1507 47.172 -7.225 19.651 1.00 0.00 C -HETATM 5732 O5 HTG A1507 46.052 -6.932 18.681 1.00 0.00 O -HETATM 5733 C6 HTG A1507 48.407 -6.312 19.370 1.00 0.00 C -HETATM 5734 O6 HTG A1507 49.201 -6.064 20.520 1.00 0.00 O -HETATM 5735 C1' HTG A1507 42.737 -5.591 17.651 1.00 0.00 C -HETATM 5736 C2' HTG A1507 42.052 -5.372 16.304 1.00 0.00 C -HETATM 5737 C3' HTG A1507 41.459 -3.990 16.172 1.00 0.00 C -HETATM 5738 C4' HTG A1507 40.404 -3.950 15.084 1.00 0.00 C -HETATM 5739 C5' HTG A1507 40.837 -3.112 13.903 1.00 0.00 C -HETATM 5740 C6' HTG A1507 39.643 -2.716 13.054 1.00 0.00 C -HETATM 5741 C7' HTG A1507 40.015 -2.629 11.598 1.00 0.00 C -HETATM 5742 HG HG B 902 59.441 8.881 -5.577 0.83 0.00 HG -HETATM 5743 HG HG B 904 79.002 11.326 -5.792 0.66 0.00 HG -HETATM 5744 HG HG B 906 68.056 30.907 8.081 0.36 0.00 HG -HETATM 5745 ZN ZN B 956 51.169 9.896 -38.585 0.68 0.00 ZN -HETATM 5746 ZN ZN B 958 60.366 -0.945 -32.311 0.51 0.00 ZN -HETATM 5747 ZN ZN B 963 67.581 15.535 -20.513 0.68 0.00 ZN -HETATM 5748 C1 RET B1296 63.173 7.960 -18.485 1.00 0.00 C -HETATM 5749 C2 RET B1296 64.191 7.475 -17.420 1.00 0.00 C -HETATM 5750 C3 RET B1296 64.851 8.550 -16.590 1.00 0.00 C -HETATM 5751 C4 RET B1296 63.856 9.503 -15.934 1.00 0.00 C -HETATM 5752 C5 RET B1296 62.791 10.041 -16.907 1.00 0.00 C -HETATM 5753 C6 RET B1296 62.383 9.303 -18.071 1.00 0.00 C -HETATM 5754 C7 RET B1296 61.191 9.750 -18.894 1.00 0.00 C -HETATM 5755 C8 RET B1296 60.032 10.383 -18.561 1.00 0.00 C -HETATM 5756 C9 RET B1296 58.877 10.742 -19.380 1.00 0.00 C -HETATM 5757 C10 RET B1296 57.766 11.123 -18.680 1.00 0.00 C -HETATM 5758 C11 RET B1296 56.461 11.458 -19.254 1.00 0.00 C -HETATM 5759 C12 RET B1296 55.339 11.719 -18.478 1.00 0.00 C -HETATM 5760 C13 RET B1296 54.868 11.131 -17.193 1.00 0.00 C -HETATM 5761 C14 RET B1296 53.702 11.705 -16.742 1.00 0.00 C -HETATM 5762 C15 RET B1296 52.861 11.286 -15.639 1.00 0.00 C -HETATM 5763 C16 RET B1296 64.022 8.126 -19.780 1.00 0.00 C -HETATM 5764 C17 RET B1296 62.187 6.753 -18.710 1.00 0.00 C -HETATM 5765 C18 RET B1296 62.311 11.407 -16.440 1.00 0.00 C -HETATM 5766 C19 RET B1296 59.005 10.648 -20.891 1.00 0.00 C -HETATM 5767 C20 RET B1296 55.591 9.993 -16.492 1.00 0.00 C -HETATM 5768 C1 PLM B1322 56.215 30.097 14.240 1.00 0.00 C -HETATM 5769 O2 PLM B1322 55.561 31.134 14.263 1.00 0.00 O -HETATM 5770 C2 PLM B1322 55.462 28.753 14.314 1.00 0.00 C -HETATM 5771 C3 PLM B1322 54.124 28.726 13.538 1.00 0.00 C -HETATM 5772 C4 PLM B1322 54.289 28.254 12.086 1.00 0.00 C -HETATM 5773 C5 PLM B1322 52.966 27.796 11.465 1.00 0.00 C -HETATM 5774 C6 PLM B1322 52.637 26.332 11.795 1.00 0.00 C -HETATM 5775 C7 PLM B1322 53.311 25.349 10.835 1.00 0.00 C -HETATM 5776 C8 PLM B1322 52.306 24.633 9.912 1.00 0.00 C -HETATM 5777 C9 PLM B1322 52.965 24.004 8.663 1.00 0.00 C -HETATM 5778 CA PLM B1322 53.158 24.996 7.504 1.00 0.00 C -HETATM 5779 CB PLM B1322 52.016 24.950 6.484 1.00 0.00 C -HETATM 5780 CC PLM B1322 51.485 26.350 6.138 1.00 0.00 C -HETATM 5781 CD PLM B1322 50.944 26.415 4.710 1.00 0.00 C -HETATM 5782 CE PLM B1322 51.597 27.537 3.913 1.00 0.00 C -HETATM 5783 CF PLM B1322 52.751 27.043 3.032 1.00 0.00 C -HETATM 5784 CG PLM B1322 53.350 28.164 2.171 1.00 0.00 C -HETATM 5785 C1 PLM B1323 53.785 34.215 12.432 1.00 0.00 C -HETATM 5786 O2 PLM B1323 54.498 34.217 13.444 1.00 0.00 O -HETATM 5787 C2 PLM B1323 52.447 33.443 12.467 1.00 0.00 C -HETATM 5788 C3 PLM B1323 52.540 31.943 12.134 1.00 0.00 C -HETATM 5789 C4 PLM B1323 51.168 31.293 11.863 1.00 0.00 C -HETATM 5790 C5 PLM B1323 50.400 30.974 13.148 1.00 0.00 C -HETATM 5791 C6 PLM B1323 50.186 29.474 13.327 1.00 0.00 C -HETATM 5792 C7 PLM B1323 50.436 29.053 14.775 1.00 0.00 C -HETATM 5793 C8 PLM B1323 49.456 27.970 15.262 1.00 0.00 C -HETATM 5794 C9 PLM B1323 48.350 28.555 16.144 1.00 0.00 C -HETATM 5795 CA PLM B1323 47.141 27.636 16.279 1.00 0.00 C -HETATM 5796 CB PLM B1323 45.950 28.132 15.455 1.00 0.00 C -HETATM 5797 CC PLM B1323 44.787 28.644 16.326 1.00 0.00 C -HETATM 5798 CD PLM B1323 43.530 27.752 16.250 1.00 0.00 C -HETATM 5799 CE PLM B1323 42.532 28.272 15.223 1.00 0.00 C -HETATM 5800 CF PLM B1323 41.456 27.247 14.856 1.00 0.00 C -HETATM 5801 CG PLM B1323 40.553 27.755 13.717 1.00 0.00 C -HETATM 5802 C1 HTO B1401 64.478 16.043 13.628 1.00 0.00 C -HETATM 5803 O1 HTO B1401 65.858 16.283 14.086 1.00 0.00 O -HETATM 5804 C2 HTO B1401 64.393 16.317 12.130 1.00 0.00 C -HETATM 5805 O2 HTO B1401 65.335 15.402 11.530 1.00 0.00 O -HETATM 5806 C3 HTO B1401 62.919 16.074 11.475 1.00 0.00 C -HETATM 5807 O3 HTO B1401 63.003 16.371 10.091 1.00 0.00 O -HETATM 5808 C4 HTO B1401 61.768 16.975 11.994 1.00 0.00 C -HETATM 5809 C5 HTO B1401 60.345 16.705 11.322 1.00 0.00 C -HETATM 5810 C6 HTO B1401 60.164 17.181 9.856 1.00 0.00 C -HETATM 5811 C7 HTO B1401 59.086 18.238 9.714 1.00 0.00 C -HETATM 5812 C1 PLM B1407 60.865 10.582 0.427 1.00 0.00 C -HETATM 5813 C2 PLM B1407 59.467 10.709 1.063 1.00 0.00 C -HETATM 5814 C3 PLM B1407 58.636 11.396 -0.051 1.00 0.00 C -HETATM 5815 C4 PLM B1407 57.152 11.631 0.299 1.00 0.00 C -HETATM 5816 C5 PLM B1407 55.979 11.636 -0.679 1.00 0.00 C -HETATM 5817 C6 PLM B1407 54.806 12.560 -0.316 1.00 0.00 C -HETATM 5818 C7 PLM B1407 53.667 12.486 -1.368 1.00 0.00 C -HETATM 5819 C8 PLM B1407 52.303 12.226 -0.714 1.00 0.00 C -HETATM 5820 C9 PLM B1407 50.914 12.085 -1.507 1.00 0.00 C -HETATM 5821 CA PLM B1407 49.853 11.238 -2.314 1.00 0.00 C -HETATM 5822 CB PLM B1407 49.148 10.391 -1.569 1.00 0.00 C -HETATM 5823 CC PLM B1407 47.994 9.924 -1.717 1.00 0.00 C -HETATM 5824 CD PLM B1407 46.785 9.755 -2.321 1.00 0.00 C -HETATM 5825 CE PLM B1407 45.666 8.884 -1.881 1.00 0.00 C -HETATM 5826 CF PLM B1407 44.691 9.274 -2.997 1.00 0.00 C -HETATM 5827 CG PLM B1407 43.293 9.115 -3.030 1.00 0.00 C -HETATM 5828 C1 HTG B1506 55.265 -8.580 -18.671 1.00 0.00 C -HETATM 5829 S1 HTG B1506 56.451 -8.074 -17.310 1.00 0.00 S -HETATM 5830 C2 HTG B1506 54.819 -10.095 -18.440 1.00 0.00 C -HETATM 5831 O2 HTG B1506 55.978 -10.948 -18.407 1.00 0.00 O -HETATM 5832 C3 HTG B1506 53.805 -10.547 -19.601 1.00 0.00 C -HETATM 5833 O3 HTG B1506 53.407 -11.920 -19.412 1.00 0.00 O -HETATM 5834 C4 HTG B1506 52.523 -9.572 -19.598 1.00 0.00 C -HETATM 5835 O4 HTG B1506 51.584 -9.958 -20.635 1.00 0.00 O -HETATM 5836 C5 HTG B1506 52.985 -8.041 -19.812 1.00 0.00 C -HETATM 5837 O5 HTG B1506 53.974 -7.692 -18.711 1.00 0.00 O -HETATM 5838 C6 HTG B1506 51.735 -7.088 -19.789 1.00 0.00 C -HETATM 5839 O6 HTG B1506 51.047 -7.051 -18.537 1.00 0.00 O -HETATM 5840 C1' HTG B1506 57.100 -6.338 -17.406 1.00 0.00 C -HETATM 5841 C2' HTG B1506 58.218 -6.158 -16.381 1.00 0.00 C -HETATM 5842 C3' HTG B1506 58.787 -4.741 -16.420 1.00 0.00 C -HETATM 5843 C4' HTG B1506 58.491 -3.964 -15.145 1.00 0.00 C -HETATM 5844 C5' HTG B1506 59.725 -3.290 -14.597 1.00 0.00 C -HETATM 5845 C6' HTG B1506 59.454 -2.680 -13.235 1.00 0.00 C -HETATM 5846 C7' HTG B1506 60.738 -2.317 -12.539 1.00 0.00 C -HETATM 5847 C1 HTG B1508 32.522 7.786 -9.349 1.00 0.00 C -HETATM 5848 S1 HTG B1508 32.534 6.999 -7.690 1.00 0.00 S -HETATM 5849 C2 HTG B1508 31.413 7.036 -10.199 1.00 0.00 C -HETATM 5850 O2 HTG B1508 31.718 5.626 -10.290 1.00 0.00 O -HETATM 5851 C3 HTG B1508 31.314 7.690 -11.651 1.00 0.00 C -HETATM 5852 O3 HTG B1508 30.300 7.019 -12.418 1.00 0.00 O -HETATM 5853 C4 HTG B1508 30.976 9.238 -11.517 1.00 0.00 C -HETATM 5854 O4 HTG B1508 30.884 9.853 -12.821 1.00 0.00 O -HETATM 5855 C5 HTG B1508 32.104 9.966 -10.642 1.00 0.00 C -HETATM 5856 O5 HTG B1508 32.147 9.265 -9.292 1.00 0.00 O -HETATM 5857 C6 HTG B1508 31.736 11.486 -10.493 1.00 0.00 C -HETATM 5858 O6 HTG B1508 30.391 11.704 -10.047 1.00 0.00 O -HETATM 5859 C1' HTG B1508 33.640 7.605 -6.356 1.00 0.00 C -HETATM 5860 C2' HTG B1508 35.081 7.469 -6.769 1.00 0.00 C -HETATM 5861 C3' HTG B1508 35.973 7.953 -5.637 1.00 0.00 C -HETATM 5862 C4' HTG B1508 36.842 9.123 -6.031 1.00 0.00 C -HETATM 5863 C5' HTG B1508 36.331 10.394 -5.427 1.00 0.00 C -HETATM 5864 C6' HTG B1508 36.816 10.545 -4.021 1.00 0.00 C -HETATM 5865 C7' HTG B1508 37.927 11.527 -3.969 1.00 0.00 C -HETATM 5866 C1 HTG B1509 64.583 20.708 15.180 1.00 0.00 C -HETATM 5867 S1 HTG B1509 63.512 21.350 13.802 1.00 0.00 S -HETATM 5868 C2 HTG B1509 65.980 21.522 15.189 1.00 0.00 C -HETATM 5869 O2 HTG B1509 66.665 21.365 13.932 1.00 0.00 O -HETATM 5870 C3 HTG B1509 66.908 21.016 16.386 1.00 0.00 C -HETATM 5871 O3 HTG B1509 68.153 21.739 16.388 1.00 0.00 O -HETATM 5872 C4 HTG B1509 66.124 21.217 17.771 1.00 0.00 C -HETATM 5873 O4 HTG B1509 66.944 20.779 18.881 1.00 0.00 O -HETATM 5874 C5 HTG B1509 64.705 20.404 17.754 1.00 0.00 C -HETATM 5875 O5 HTG B1509 63.897 20.900 16.554 1.00 0.00 O -HETATM 5876 C6 HTG B1509 63.909 20.630 19.130 1.00 0.00 C -HETATM 5877 O6 HTG B1509 62.720 21.461 19.044 1.00 0.00 O -HETATM 5878 C1' HTG B1509 61.870 20.626 13.532 1.00 0.00 C -HETATM 5879 C2' HTG B1509 61.281 21.428 12.381 1.00 0.00 C -HETATM 5880 C3' HTG B1509 59.895 20.949 12.011 1.00 0.00 C -HETATM 5881 C4' HTG B1509 59.311 21.758 10.876 1.00 0.00 C -HETATM 5882 C5' HTG B1509 58.022 22.388 11.305 1.00 0.00 C -HETATM 5883 C6' HTG B1509 57.964 23.847 10.923 1.00 0.00 C -HETATM 5884 C7' HTG B1509 57.068 24.621 11.859 1.00 0.00 C -HETATM 5885 O HOH A 964 41.824 4.738 11.658 1.00 0.00 O -HETATM 5886 O HOH A2000 49.110 7.658 28.237 1.00 0.00 O -HETATM 5887 O HOH A2002 49.342 -2.814 33.463 1.00 0.00 O -HETATM 5888 O HOH A2004 40.768 15.488 29.883 1.00 0.00 O -HETATM 5889 O HOH A2007 28.580 29.852 -16.188 1.00 0.00 O -HETATM 5890 O HOH A2014 44.912 9.872 19.727 0.94 0.00 O -HETATM 5891 O HOH A2015 35.893 12.241 8.920 1.00 0.00 O -HETATM 5892 O HOH A2017 37.208 16.105 5.882 1.00 0.00 O -HETATM 5893 O HOH A2020 33.214 11.359 5.382 1.00 0.00 O -HETATM 5894 O HOH A2021 44.328 16.987 16.914 1.00 0.00 O -HETATM 5895 O HOH A2024 29.916 23.848 0.458 1.00 0.00 O -HETATM 5896 O HOH A2027 46.968 22.773 19.155 1.00 0.00 O -HETATM 5897 O HOH A2028 52.690 19.627 23.119 1.00 0.00 O -HETATM 5898 O HOH A2030 35.579 15.961 9.298 1.00 0.00 O -HETATM 5899 O HOH A2032 48.193 3.343 23.561 1.00 0.00 O -HETATM 5900 O HOH A2033 44.911 12.701 31.169 1.00 0.00 O -HETATM 5901 O HOH A2035 50.973 8.201 19.008 1.00 0.00 O -HETATM 5902 O HOH A2039 39.965 -11.559 23.863 1.00 0.00 O -HETATM 5903 O HOH A2041 52.533 -2.907 19.218 1.00 0.00 O -HETATM 5904 O HOH A2042 58.414 10.737 35.179 1.00 0.00 O -HETATM 5905 O HOH A2045 44.990 15.499 29.228 1.00 0.00 O -HETATM 5906 O HOH A2047 50.078 -0.478 35.016 1.00 0.00 O -HETATM 5907 O HOH A2048 49.387 1.275 21.525 1.00 0.00 O -HETATM 5908 O HOH A2049 52.069 13.027 34.780 1.00 0.00 O -HETATM 5909 O HOH A2051 55.564 -2.577 25.226 1.00 0.00 O -HETATM 5910 O HOH A2052 44.768 -0.431 29.501 1.00 0.00 O -HETATM 5911 O HOH A2053 27.336 19.021 -9.912 1.00 0.00 O -HETATM 5912 O HOH A2055 61.141 -1.783 31.346 0.98 0.00 O -HETATM 5913 O HOH A2057 38.335 2.452 30.394 1.00 0.00 O -HETATM 5914 O HOH A2058 42.132 18.219 32.056 1.00 0.00 O -HETATM 5915 O HOH A2059 45.613 15.970 34.061 0.99 0.00 O -HETATM 5916 O HOH A2061 30.369 29.006 -11.025 1.00 0.00 O -HETATM 5917 O HOH A2062 42.839 12.670 35.850 1.00 0.00 O -HETATM 5918 O HOH A2063 37.788 14.979 32.972 1.00 0.00 O -HETATM 5919 O HOH A2064 48.953 4.821 25.720 1.00 0.00 O -HETATM 5920 O HOH A2068 34.641 4.694 44.098 1.00 0.00 O -HETATM 5921 O HOH A2070 24.499 16.592 -12.939 1.00 0.00 O -HETATM 5922 O HOH B2005 63.175 6.145 -37.125 1.00 0.00 O -HETATM 5923 O HOH B2008 65.482 13.261 -6.143 1.00 0.00 O -HETATM 5924 O HOH B2009 62.245 17.200 -9.666 0.96 0.00 O -HETATM 5925 O HOH B2012 37.413 -0.051 -36.633 1.00 0.00 O -HETATM 5926 O HOH B2016 60.389 17.198 -5.853 1.00 0.00 O -HETATM 5927 O HOH B2018 52.246 8.805 -18.688 1.00 0.00 O -HETATM 5928 O HOH B2019 57.417 4.579 -11.690 1.00 0.00 O -HETATM 5929 O HOH B2022 52.584 16.809 -16.042 1.00 0.00 O -HETATM 5930 O HOH B2023 47.327 6.545 -26.718 0.99 0.00 O -HETATM 5931 O HOH B2025 67.255 26.384 -1.416 1.00 0.00 O -HETATM 5932 O HOH B2026 48.603 21.953 -18.210 1.00 0.00 O -HETATM 5933 O HOH B2029 42.986 17.310 -21.550 0.95 0.00 O -HETATM 5934 O HOH B2031 49.956 2.198 -22.322 1.00 0.00 O -HETATM 5935 O HOH B2034 50.483 12.089 -30.280 1.00 0.00 O -HETATM 5936 O HOH B2036 61.977 14.597 -9.561 1.00 0.00 O -HETATM 5937 O HOH B2037 47.834 6.801 -17.635 1.00 0.00 O -HETATM 5938 O HOH B2038 60.768 -10.665 -24.153 1.00 0.00 O -HETATM 5939 O HOH B2040 38.374 -1.735 -35.214 1.00 0.00 O -HETATM 5940 O HOH B2043 47.993 -5.229 -18.107 1.00 0.00 O -HETATM 5941 O HOH B2044 59.290 7.983 -29.702 1.00 0.00 O -HETATM 5942 O HOH B2046 48.879 4.064 -24.826 1.00 0.00 O -HETATM 5943 O HOH B2050 49.158 0.599 -20.238 1.00 0.00 O -HETATM 5944 O HOH B2054 46.199 -3.971 -17.556 1.00 0.00 O -HETATM 5945 O HOH B2056 43.940 -7.703 -26.199 1.00 0.00 O -HETATM 5946 O HOH B2060 49.944 14.940 -28.371 1.00 0.00 O -HETATM 5947 O HOH B2065 46.801 -1.635 -34.122 1.00 0.00 O -HETATM 5948 O HOH B2066 53.036 -0.881 -28.890 1.00 0.00 O -HETATM 5949 O HOH B2067 47.971 -3.519 -26.335 1.00 0.00 O -HETATM 5950 O HOH B2069 58.943 3.863 -30.455 1.00 0.00 O -CONECT 1 2 3 4 -CONECT 2 1 -CONECT 3 1 -CONECT 4 1 -CONECT 19 5540 -CONECT 120 5501 -CONECT 886 1476 -CONECT 973 5651 -CONECT 1004 5651 -CONECT 1299 5651 -CONECT 1476 886 -CONECT 1544 5652 -CONECT 1561 5652 -CONECT 1593 5649 -CONECT 1594 5649 -CONECT 1678 5651 -CONECT 1774 5647 -CONECT 2100 5646 -CONECT 2230 5649 -CONECT 2360 5667 -CONECT 2366 5646 -CONECT 2480 5650 -CONECT 2484 5648 -CONECT 2525 5648 -CONECT 2568 5673 -CONECT 2574 5690 -CONECT 2615 5650 -CONECT 2751 2752 2753 2754 -CONECT 2752 2751 -CONECT 2753 2751 -CONECT 2754 2751 -CONECT 2769 5618 -CONECT 2870 5568 -CONECT 3280 5744 -CONECT 3636 4226 -CONECT 3754 5747 -CONECT 4226 3636 -CONECT 4294 5745 -CONECT 4311 5745 -CONECT 4343 5746 -CONECT 4344 5746 -CONECT 4428 5747 -CONECT 4850 5742 -CONECT 4980 5746 -CONECT 5110 5762 -CONECT 5275 5744 -CONECT 5318 5768 -CONECT 5324 5785 -CONECT 5411 5744 -CONECT 5418 5744 -CONECT 5501 120 5502 5512 -CONECT 5502 5501 5503 5509 -CONECT 5503 5502 5504 5510 -CONECT 5504 5503 5505 5511 -CONECT 5505 5504 5506 5512 -CONECT 5506 5505 5513 -CONECT 5507 5508 5509 5514 -CONECT 5508 5507 -CONECT 5509 5502 5507 -CONECT 5510 5503 -CONECT 5511 5504 5515 -CONECT 5512 5501 5505 -CONECT 5513 5506 -CONECT 5514 5507 -CONECT 5515 5511 5516 5526 -CONECT 5516 5515 5517 5523 -CONECT 5517 5516 5518 5524 -CONECT 5518 5517 5519 5525 -CONECT 5519 5518 5520 5526 -CONECT 5520 5519 5527 -CONECT 5521 5522 5523 5528 -CONECT 5522 5521 -CONECT 5523 5516 5521 -CONECT 5524 5517 -CONECT 5525 5518 5529 -CONECT 5526 5515 5519 -CONECT 5527 5520 -CONECT 5528 5521 -CONECT 5529 5525 5530 5538 -CONECT 5530 5529 5531 5535 -CONECT 5531 5530 5532 5536 -CONECT 5532 5531 5533 5537 -CONECT 5533 5532 5534 5538 -CONECT 5534 5533 5539 -CONECT 5535 5530 -CONECT 5536 5531 -CONECT 5537 5532 -CONECT 5538 5529 5533 -CONECT 5539 5534 -CONECT 5540 19 5541 5551 -CONECT 5541 5540 5542 5548 -CONECT 5542 5541 5543 5549 -CONECT 5543 5542 5544 5550 -CONECT 5544 5543 5545 5551 -CONECT 5545 5544 5552 -CONECT 5546 5547 5548 5553 -CONECT 5547 5546 -CONECT 5548 5541 5546 -CONECT 5549 5542 -CONECT 5550 5543 5554 -CONECT 5551 5540 5544 -CONECT 5552 5545 -CONECT 5553 5546 -CONECT 5554 5550 5555 5565 -CONECT 5555 5554 5556 5562 -CONECT 5556 5555 5557 5563 -CONECT 5557 5556 5558 5564 -CONECT 5558 5557 5559 5565 -CONECT 5559 5558 5566 -CONECT 5560 5561 5562 5567 -CONECT 5561 5560 -CONECT 5562 5555 5560 -CONECT 5563 5556 -CONECT 5564 5557 -CONECT 5565 5554 5558 -CONECT 5566 5559 -CONECT 5567 5560 -CONECT 5568 2870 5569 5579 -CONECT 5569 5568 5570 5576 -CONECT 5570 5569 5571 5577 -CONECT 5571 5570 5572 5578 -CONECT 5572 5571 5573 5579 -CONECT 5573 5572 5580 -CONECT 5574 5575 5576 5581 -CONECT 5575 5574 -CONECT 5576 5569 5574 -CONECT 5577 5570 -CONECT 5578 5571 5582 -CONECT 5579 5568 5572 -CONECT 5580 5573 -CONECT 5581 5574 -CONECT 5582 5578 5583 5593 -CONECT 5583 5582 5584 5590 -CONECT 5584 5583 5585 5591 -CONECT 5585 5584 5586 5592 -CONECT 5586 5585 5587 5593 -CONECT 5587 5586 5594 -CONECT 5588 5589 5590 5595 -CONECT 5589 5588 -CONECT 5590 5583 5588 -CONECT 5591 5584 -CONECT 5592 5585 5596 -CONECT 5593 5582 5586 -CONECT 5594 5587 -CONECT 5595 5588 -CONECT 5596 5592 5597 5605 -CONECT 5597 5596 5598 5602 -CONECT 5598 5597 5599 5603 -CONECT 5599 5598 5600 5604 -CONECT 5600 5599 5601 5605 -CONECT 5601 5600 5606 -CONECT 5602 5597 -CONECT 5603 5598 5607 -CONECT 5604 5599 -CONECT 5605 5596 5600 -CONECT 5606 5601 -CONECT 5607 5603 5608 5616 -CONECT 5608 5607 5609 5613 -CONECT 5609 5608 5610 5614 -CONECT 5610 5609 5611 5615 -CONECT 5611 5610 5612 5616 -CONECT 5612 5611 5617 -CONECT 5613 5608 -CONECT 5614 5609 -CONECT 5615 5610 -CONECT 5616 5607 5611 -CONECT 5617 5612 -CONECT 5618 2769 5619 5629 -CONECT 5619 5618 5620 5626 -CONECT 5620 5619 5621 5627 -CONECT 5621 5620 5622 5628 -CONECT 5622 5621 5623 5629 -CONECT 5623 5622 5630 -CONECT 5624 5625 5626 5631 -CONECT 5625 5624 -CONECT 5626 5619 5624 -CONECT 5627 5620 -CONECT 5628 5621 5632 -CONECT 5629 5618 5622 -CONECT 5630 5623 -CONECT 5631 5624 -CONECT 5632 5628 5633 5643 -CONECT 5633 5632 5634 5640 -CONECT 5634 5633 5635 5641 -CONECT 5635 5634 5636 5642 -CONECT 5636 5635 5637 5643 -CONECT 5637 5636 5644 -CONECT 5638 5639 5640 5645 -CONECT 5639 5638 -CONECT 5640 5633 5638 -CONECT 5641 5634 -CONECT 5642 5635 -CONECT 5643 5632 5636 -CONECT 5644 5637 -CONECT 5645 5638 -CONECT 5646 2100 2366 -CONECT 5647 1774 -CONECT 5648 2484 2525 5916 -CONECT 5649 1593 1594 2230 -CONECT 5650 2480 2615 -CONECT 5651 973 1004 1299 1678 -CONECT 5652 1544 1561 -CONECT 5653 5654 5658 5668 5669 -CONECT 5654 5653 5655 -CONECT 5655 5654 5656 -CONECT 5656 5655 5657 -CONECT 5657 5656 5658 5670 -CONECT 5658 5653 5657 5659 -CONECT 5659 5658 5660 -CONECT 5660 5659 5661 -CONECT 5661 5660 5662 5671 -CONECT 5662 5661 5663 -CONECT 5663 5662 5664 -CONECT 5664 5663 5665 -CONECT 5665 5664 5666 5672 -CONECT 5666 5665 5667 -CONECT 5667 2360 5666 -CONECT 5668 5653 -CONECT 5669 5653 -CONECT 5670 5657 -CONECT 5671 5661 -CONECT 5672 5665 -CONECT 5673 2568 5674 5675 -CONECT 5674 5673 -CONECT 5675 5673 5676 -CONECT 5676 5675 5677 -CONECT 5677 5676 5678 -CONECT 5678 5677 5679 -CONECT 5679 5678 5680 -CONECT 5680 5679 5681 -CONECT 5681 5680 5682 -CONECT 5682 5681 5683 -CONECT 5683 5682 5684 -CONECT 5684 5683 5685 -CONECT 5685 5684 5686 -CONECT 5686 5685 5687 -CONECT 5687 5686 5688 -CONECT 5688 5687 5689 -CONECT 5689 5688 -CONECT 5690 2574 5691 5692 -CONECT 5691 5690 -CONECT 5692 5690 5693 -CONECT 5693 5692 5694 -CONECT 5694 5693 5695 -CONECT 5695 5694 5696 -CONECT 5696 5695 5697 -CONECT 5697 5696 5698 -CONECT 5698 5697 5699 -CONECT 5699 5698 5700 -CONECT 5700 5699 5701 -CONECT 5701 5700 5702 -CONECT 5702 5701 5703 -CONECT 5703 5702 5704 -CONECT 5704 5703 5705 -CONECT 5705 5704 5706 -CONECT 5706 5705 -CONECT 5707 5708 -CONECT 5708 5707 5709 -CONECT 5709 5708 5710 -CONECT 5710 5709 5711 -CONECT 5711 5710 5712 -CONECT 5712 5711 5713 -CONECT 5713 5712 5714 -CONECT 5714 5713 5715 -CONECT 5715 5714 5716 -CONECT 5716 5715 5717 -CONECT 5717 5716 5718 -CONECT 5718 5717 5719 -CONECT 5719 5718 5720 -CONECT 5720 5719 5721 -CONECT 5721 5720 5722 -CONECT 5722 5721 -CONECT 5723 5724 5725 5732 -CONECT 5724 5723 5735 -CONECT 5725 5723 5726 5727 -CONECT 5726 5725 -CONECT 5727 5725 5728 5729 -CONECT 5728 5727 -CONECT 5729 5727 5730 5731 -CONECT 5730 5729 -CONECT 5731 5729 5732 5733 -CONECT 5732 5723 5731 -CONECT 5733 5731 5734 -CONECT 5734 5733 -CONECT 5735 5724 5736 -CONECT 5736 5735 5737 -CONECT 5737 5736 5738 -CONECT 5738 5737 5739 -CONECT 5739 5738 5740 -CONECT 5740 5739 5741 -CONECT 5741 5740 -CONECT 5742 4850 -CONECT 5744 3280 5275 5411 5418 -CONECT 5745 4294 4311 -CONECT 5746 4343 4344 4980 -CONECT 5747 3754 4428 -CONECT 5748 5749 5753 5763 5764 -CONECT 5749 5748 5750 -CONECT 5750 5749 5751 -CONECT 5751 5750 5752 -CONECT 5752 5751 5753 5765 -CONECT 5753 5748 5752 5754 -CONECT 5754 5753 5755 -CONECT 5755 5754 5756 -CONECT 5756 5755 5757 5766 -CONECT 5757 5756 5758 -CONECT 5758 5757 5759 -CONECT 5759 5758 5760 -CONECT 5760 5759 5761 5767 -CONECT 5761 5760 5762 -CONECT 5762 5110 5761 -CONECT 5763 5748 -CONECT 5764 5748 -CONECT 5765 5752 -CONECT 5766 5756 -CONECT 5767 5760 -CONECT 5768 5318 5769 5770 -CONECT 5769 5768 -CONECT 5770 5768 5771 -CONECT 5771 5770 5772 -CONECT 5772 5771 5773 -CONECT 5773 5772 5774 -CONECT 5774 5773 5775 -CONECT 5775 5774 5776 -CONECT 5776 5775 5777 -CONECT 5777 5776 5778 -CONECT 5778 5777 5779 -CONECT 5779 5778 5780 -CONECT 5780 5779 5781 -CONECT 5781 5780 5782 -CONECT 5782 5781 5783 -CONECT 5783 5782 5784 -CONECT 5784 5783 -CONECT 5785 5324 5786 5787 -CONECT 5786 5785 -CONECT 5787 5785 5788 -CONECT 5788 5787 5789 -CONECT 5789 5788 5790 -CONECT 5790 5789 5791 -CONECT 5791 5790 5792 -CONECT 5792 5791 5793 -CONECT 5793 5792 5794 -CONECT 5794 5793 5795 -CONECT 5795 5794 5796 -CONECT 5796 5795 5797 -CONECT 5797 5796 5798 -CONECT 5798 5797 5799 -CONECT 5799 5798 5800 -CONECT 5800 5799 5801 -CONECT 5801 5800 -CONECT 5802 5803 5804 -CONECT 5803 5802 -CONECT 5804 5802 5805 5806 -CONECT 5805 5804 -CONECT 5806 5804 5807 5808 -CONECT 5807 5806 -CONECT 5808 5806 5809 -CONECT 5809 5808 5810 -CONECT 5810 5809 5811 -CONECT 5811 5810 -CONECT 5812 5813 -CONECT 5813 5812 5814 -CONECT 5814 5813 5815 -CONECT 5815 5814 5816 -CONECT 5816 5815 5817 -CONECT 5817 5816 5818 -CONECT 5818 5817 5819 -CONECT 5819 5818 5820 -CONECT 5820 5819 5821 -CONECT 5821 5820 5822 -CONECT 5822 5821 5823 -CONECT 5823 5822 5824 -CONECT 5824 5823 5825 -CONECT 5825 5824 5826 -CONECT 5826 5825 5827 -CONECT 5827 5826 -CONECT 5828 5829 5830 5837 -CONECT 5829 5828 5840 -CONECT 5830 5828 5831 5832 -CONECT 5831 5830 -CONECT 5832 5830 5833 5834 -CONECT 5833 5832 -CONECT 5834 5832 5835 5836 -CONECT 5835 5834 -CONECT 5836 5834 5837 5838 -CONECT 5837 5828 5836 -CONECT 5838 5836 5839 -CONECT 5839 5838 -CONECT 5840 5829 5841 -CONECT 5841 5840 5842 -CONECT 5842 5841 5843 -CONECT 5843 5842 5844 -CONECT 5844 5843 5845 -CONECT 5845 5844 5846 -CONECT 5846 5845 -CONECT 5847 5848 5849 5856 -CONECT 5848 5847 5859 -CONECT 5849 5847 5850 5851 -CONECT 5850 5849 -CONECT 5851 5849 5852 5853 -CONECT 5852 5851 -CONECT 5853 5851 5854 5855 -CONECT 5854 5853 -CONECT 5855 5853 5856 5857 -CONECT 5856 5847 5855 -CONECT 5857 5855 5858 -CONECT 5858 5857 -CONECT 5859 5848 5860 -CONECT 5860 5859 5861 -CONECT 5861 5860 5862 -CONECT 5862 5861 5863 -CONECT 5863 5862 5864 -CONECT 5864 5863 5865 -CONECT 5865 5864 -CONECT 5866 5867 5868 5875 -CONECT 5867 5866 5878 -CONECT 5868 5866 5869 5870 -CONECT 5869 5868 -CONECT 5870 5868 5871 5872 -CONECT 5871 5870 -CONECT 5872 5870 5873 5874 -CONECT 5873 5872 -CONECT 5874 5872 5875 5876 -CONECT 5875 5866 5874 -CONECT 5876 5874 5877 -CONECT 5877 5876 -CONECT 5878 5867 5879 -CONECT 5879 5878 5880 -CONECT 5880 5879 5881 -CONECT 5881 5880 5882 -CONECT 5882 5881 5883 -CONECT 5883 5882 5884 -CONECT 5884 5883 -CONECT 5916 5648 -MASTER 426 0 39 29 8 0 0 6 5948 2 434 54 -END diff --git a/examples/U57536_ex_struct.pdb b/examples/U57536_ex_struct.pdb new file mode 100644 index 00000000..41c6d314 --- /dev/null +++ b/examples/U57536_ex_struct.pdb @@ -0,0 +1,2770 @@ +MODEL 1 +ATOM 1 N MET A 1 30.391 7.531 -3.004 1.00 50.84 N +ATOM 2 CA MET A 1 28.969 7.242 -3.193 1.00 50.84 C +ATOM 3 C MET A 1 28.672 5.766 -2.963 1.00 50.84 C +ATOM 4 CB MET A 1 28.516 7.652 -4.598 1.00 50.84 C +ATOM 5 O MET A 1 29.391 4.898 -3.486 1.00 50.84 O +ATOM 6 CG MET A 1 28.359 9.148 -4.777 1.00 50.84 C +ATOM 7 SD MET A 1 27.656 9.594 -6.418 1.00 50.84 S +ATOM 8 CE MET A 1 28.000 11.375 -6.438 1.00 50.84 C +ATOM 9 N ASN A 2 28.031 5.328 -1.880 1.00 66.69 N +ATOM 10 CA ASN A 2 27.859 3.953 -1.420 1.00 66.69 C +ATOM 11 C ASN A 2 26.812 3.209 -2.254 1.00 66.69 C +ATOM 12 CB ASN A 2 27.469 3.928 0.060 1.00 66.69 C +ATOM 13 O ASN A 2 26.828 1.978 -2.303 1.00 66.69 O +ATOM 14 CG ASN A 2 28.594 4.363 0.969 1.00 66.69 C +ATOM 15 ND2 ASN A 2 28.250 4.832 2.162 1.00 66.69 N +ATOM 16 OD1 ASN A 2 29.781 4.285 0.601 1.00 66.69 O +ATOM 17 N GLY A 3 26.016 3.871 -3.221 1.00 74.75 N +ATOM 18 CA GLY A 3 25.172 3.338 -4.289 1.00 74.75 C +ATOM 19 C GLY A 3 25.500 3.928 -5.648 1.00 74.75 C +ATOM 20 O GLY A 3 26.281 4.871 -5.750 1.00 74.75 O +ATOM 21 N THR A 4 25.188 3.109 -6.703 1.00 83.19 N +ATOM 22 CA THR A 4 25.438 3.516 -8.086 1.00 83.19 C +ATOM 23 C THR A 4 24.141 3.918 -8.773 1.00 83.19 C +ATOM 24 CB THR A 4 26.109 2.389 -8.883 1.00 83.19 C +ATOM 25 O THR A 4 23.172 3.146 -8.797 1.00 83.19 O +ATOM 26 CG2 THR A 4 26.516 2.865 -10.273 1.00 83.19 C +ATOM 27 OG1 THR A 4 27.297 1.956 -8.180 1.00 83.19 O +ATOM 28 N GLU A 5 24.141 5.191 -9.102 1.00 87.69 N +ATOM 29 CA GLU A 5 23.000 5.727 -9.852 1.00 87.69 C +ATOM 30 C GLU A 5 23.219 5.570 -11.359 1.00 87.69 C +ATOM 31 CB GLU A 5 22.766 7.195 -9.500 1.00 87.69 C +ATOM 32 O GLU A 5 24.250 5.973 -11.891 1.00 87.69 O +ATOM 33 CG GLU A 5 21.609 7.832 -10.250 1.00 87.69 C +ATOM 34 CD GLU A 5 21.391 9.297 -9.898 1.00 87.69 C +ATOM 35 OE1 GLU A 5 20.656 9.992 -10.633 1.00 87.69 O +ATOM 36 OE2 GLU A 5 21.969 9.742 -8.875 1.00 87.69 O +ATOM 37 N GLY A 6 22.359 4.824 -12.039 1.00 87.81 N +ATOM 38 CA GLY A 6 22.328 4.699 -13.484 1.00 87.81 C +ATOM 39 C GLY A 6 21.141 5.402 -14.117 1.00 87.81 C +ATOM 40 O GLY A 6 20.391 6.102 -13.438 1.00 87.81 O +ATOM 41 N PRO A 7 21.078 5.383 -15.484 1.00 88.19 N +ATOM 42 CA PRO A 7 19.891 5.980 -16.109 1.00 88.19 C +ATOM 43 C PRO A 7 18.594 5.293 -15.711 1.00 88.19 C +ATOM 44 CB PRO A 7 20.172 5.801 -17.609 1.00 88.19 C +ATOM 45 O PRO A 7 18.312 4.176 -16.156 1.00 88.19 O +ATOM 46 CG PRO A 7 21.625 5.484 -17.703 1.00 88.19 C +ATOM 47 CD PRO A 7 22.062 4.855 -16.406 1.00 88.19 C +ATOM 48 N TYR A 8 17.875 5.918 -14.727 1.00 92.19 N +ATOM 49 CA TYR A 8 16.547 5.473 -14.297 1.00 92.19 C +ATOM 50 C TYR A 8 16.656 4.250 -13.398 1.00 92.19 C +ATOM 51 CB TYR A 8 15.672 5.156 -15.516 1.00 92.19 C +ATOM 52 O TYR A 8 15.781 3.373 -13.430 1.00 92.19 O +ATOM 53 CG TYR A 8 15.359 6.363 -16.375 1.00 92.19 C +ATOM 54 CD1 TYR A 8 14.422 7.309 -15.961 1.00 92.19 C +ATOM 55 CD2 TYR A 8 16.000 6.555 -17.594 1.00 92.19 C +ATOM 56 CE1 TYR A 8 14.133 8.422 -16.734 1.00 92.19 C +ATOM 57 CE2 TYR A 8 15.719 7.664 -18.375 1.00 92.19 C +ATOM 58 OH TYR A 8 14.500 9.688 -18.734 1.00 92.19 O +ATOM 59 CZ TYR A 8 14.781 8.586 -17.953 1.00 92.19 C +ATOM 60 N PHE A 9 17.672 4.078 -12.703 1.00 93.75 N +ATOM 61 CA PHE A 9 17.797 3.061 -11.664 1.00 93.75 C +ATOM 62 C PHE A 9 18.844 3.469 -10.625 1.00 93.75 C +ATOM 63 CB PHE A 9 18.172 1.708 -12.281 1.00 93.75 C +ATOM 64 O PHE A 9 19.656 4.355 -10.883 1.00 93.75 O +ATOM 65 CG PHE A 9 19.578 1.656 -12.820 1.00 93.75 C +ATOM 66 CD1 PHE A 9 19.844 1.975 -14.148 1.00 93.75 C +ATOM 67 CD2 PHE A 9 20.641 1.288 -12.008 1.00 93.75 C +ATOM 68 CE1 PHE A 9 21.141 1.927 -14.656 1.00 93.75 C +ATOM 69 CE2 PHE A 9 21.938 1.238 -12.508 1.00 93.75 C +ATOM 70 CZ PHE A 9 22.188 1.558 -13.828 1.00 93.75 C +ATOM 71 N TYR A 10 18.766 2.842 -9.477 1.00 92.06 N +ATOM 72 CA TYR A 10 19.703 2.986 -8.367 1.00 92.06 C +ATOM 73 C TYR A 10 20.031 1.633 -7.746 1.00 92.06 C +ATOM 74 CB TYR A 10 19.125 3.922 -7.297 1.00 92.06 C +ATOM 75 O TYR A 10 19.125 0.864 -7.406 1.00 92.06 O +ATOM 76 CG TYR A 10 19.984 4.039 -6.062 1.00 92.06 C +ATOM 77 CD1 TYR A 10 19.766 3.238 -4.949 1.00 92.06 C +ATOM 78 CD2 TYR A 10 21.031 4.957 -6.012 1.00 92.06 C +ATOM 79 CE1 TYR A 10 20.547 3.346 -3.811 1.00 92.06 C +ATOM 80 CE2 TYR A 10 21.828 5.070 -4.879 1.00 92.06 C +ATOM 81 OH TYR A 10 22.375 4.375 -2.662 1.00 92.06 O +ATOM 82 CZ TYR A 10 21.594 4.262 -3.785 1.00 92.06 C +ATOM 83 N VAL A 11 21.344 1.355 -7.703 1.00 89.50 N +ATOM 84 CA VAL A 11 21.797 0.133 -7.047 1.00 89.50 C +ATOM 85 C VAL A 11 22.375 0.465 -5.672 1.00 89.50 C +ATOM 86 CB VAL A 11 22.859 -0.607 -7.898 1.00 89.50 C +ATOM 87 O VAL A 11 23.344 1.211 -5.562 1.00 89.50 O +ATOM 88 CG1 VAL A 11 23.344 -1.867 -7.184 1.00 89.50 C +ATOM 89 CG2 VAL A 11 22.281 -0.954 -9.273 1.00 89.50 C +ATOM 90 N PRO A 12 21.672 -0.098 -4.574 1.00 80.50 N +ATOM 91 CA PRO A 12 22.062 0.280 -3.213 1.00 80.50 C +ATOM 92 C PRO A 12 23.312 -0.454 -2.729 1.00 80.50 C +ATOM 93 CB PRO A 12 20.844 -0.112 -2.375 1.00 80.50 C +ATOM 94 O PRO A 12 23.297 -1.066 -1.658 1.00 80.50 O +ATOM 95 CG PRO A 12 20.250 -1.278 -3.094 1.00 80.50 C +ATOM 96 CD PRO A 12 20.500 -1.114 -4.566 1.00 80.50 C +ATOM 97 N MET A 13 24.359 -0.671 -3.533 1.00 75.62 N +ATOM 98 CA MET A 13 25.625 -1.291 -3.135 1.00 75.62 C +ATOM 99 C MET A 13 26.812 -0.513 -3.689 1.00 75.62 C +ATOM 100 CB MET A 13 25.688 -2.744 -3.609 1.00 75.62 C +ATOM 101 O MET A 13 26.703 0.148 -4.723 1.00 75.62 O +ATOM 102 CG MET A 13 25.641 -2.898 -5.121 1.00 75.62 C +ATOM 103 SD MET A 13 25.594 -4.656 -5.648 1.00 75.62 S +ATOM 104 CE MET A 13 27.297 -4.855 -6.234 1.00 75.62 C +ATOM 105 N VAL A 14 27.922 -0.574 -2.820 1.00 66.00 N +ATOM 106 CA VAL A 14 29.172 0.062 -3.184 1.00 66.00 C +ATOM 107 C VAL A 14 29.812 -0.684 -4.352 1.00 66.00 C +ATOM 108 CB VAL A 14 30.156 0.109 -1.986 1.00 66.00 C +ATOM 109 O VAL A 14 29.828 -1.917 -4.375 1.00 66.00 O +ATOM 110 CG1 VAL A 14 31.469 0.755 -2.393 1.00 66.00 C +ATOM 111 CG2 VAL A 14 29.531 0.864 -0.816 1.00 66.00 C +ATOM 112 N ASN A 15 30.172 0.106 -5.480 1.00 65.50 N +ATOM 113 CA ASN A 15 30.828 -0.413 -6.680 1.00 65.50 C +ATOM 114 C ASN A 15 32.281 -0.778 -6.414 1.00 65.50 C +ATOM 115 CB ASN A 15 30.719 0.600 -7.820 1.00 65.50 C +ATOM 116 O ASN A 15 33.156 -0.427 -7.199 1.00 65.50 O +ATOM 117 CG ASN A 15 31.297 0.071 -9.117 1.00 65.50 C +ATOM 118 ND2 ASN A 15 31.391 0.935 -10.125 1.00 65.50 N +ATOM 119 OD1 ASN A 15 31.672 -1.104 -9.219 1.00 65.50 O +ATOM 120 N THR A 16 32.625 -1.399 -5.262 1.00 63.47 N +ATOM 121 CA THR A 16 34.031 -1.701 -4.992 1.00 63.47 C +ATOM 122 C THR A 16 34.531 -2.775 -5.945 1.00 63.47 C +ATOM 123 CB THR A 16 34.219 -2.160 -3.537 1.00 63.47 C +ATOM 124 O THR A 16 35.719 -2.764 -6.328 1.00 63.47 O +ATOM 125 CG2 THR A 16 34.031 -1.002 -2.562 1.00 63.47 C +ATOM 126 OG1 THR A 16 33.281 -3.186 -3.229 1.00 63.47 O +ATOM 127 N THR A 17 33.688 -3.656 -6.355 1.00 67.38 N +ATOM 128 CA THR A 17 34.062 -4.754 -7.234 1.00 67.38 C +ATOM 129 C THR A 17 34.031 -4.312 -8.695 1.00 67.38 C +ATOM 130 CB THR A 17 33.156 -5.977 -7.039 1.00 67.38 C +ATOM 131 O THR A 17 34.562 -5.004 -9.570 1.00 67.38 O +ATOM 132 CG2 THR A 17 33.219 -6.492 -5.605 1.00 67.38 C +ATOM 133 OG1 THR A 17 31.797 -5.605 -7.340 1.00 67.38 O +ATOM 134 N GLY A 18 33.469 -3.059 -9.008 1.00 67.69 N +ATOM 135 CA GLY A 18 33.312 -2.576 -10.367 1.00 67.69 C +ATOM 136 C GLY A 18 32.062 -3.139 -11.039 1.00 67.69 C +ATOM 137 O GLY A 18 31.812 -2.895 -12.227 1.00 67.69 O +ATOM 138 N VAL A 19 31.203 -3.912 -10.320 1.00 75.81 N +ATOM 139 CA VAL A 19 30.094 -4.551 -11.000 1.00 75.81 C +ATOM 140 C VAL A 19 28.797 -3.791 -10.703 1.00 75.81 C +ATOM 141 CB VAL A 19 29.938 -6.031 -10.586 1.00 75.81 C +ATOM 142 O VAL A 19 28.328 -3.779 -9.562 1.00 75.81 O +ATOM 143 CG1 VAL A 19 28.734 -6.672 -11.273 1.00 75.81 C +ATOM 144 CG2 VAL A 19 31.219 -6.805 -10.898 1.00 75.81 C +ATOM 145 N VAL A 20 28.328 -2.863 -11.438 1.00 84.44 N +ATOM 146 CA VAL A 20 26.984 -2.309 -11.469 1.00 84.44 C +ATOM 147 C VAL A 20 26.359 -2.537 -12.852 1.00 84.44 C +ATOM 148 CB VAL A 20 26.984 -0.803 -11.133 1.00 84.44 C +ATOM 149 O VAL A 20 26.875 -2.039 -13.859 1.00 84.44 O +ATOM 150 CG1 VAL A 20 25.562 -0.239 -11.188 1.00 84.44 C +ATOM 151 CG2 VAL A 20 27.594 -0.568 -9.750 1.00 84.44 C +ATOM 152 N ARG A 21 25.328 -3.379 -12.758 1.00 89.62 N +ATOM 153 CA ARG A 21 24.656 -3.672 -14.023 1.00 89.62 C +ATOM 154 C ARG A 21 23.234 -3.129 -14.031 1.00 89.62 C +ATOM 155 CB ARG A 21 24.641 -5.180 -14.289 1.00 89.62 C +ATOM 156 O ARG A 21 22.594 -3.021 -12.984 1.00 89.62 O +ATOM 157 CG ARG A 21 26.031 -5.789 -14.438 1.00 89.62 C +ATOM 158 CD ARG A 21 25.953 -7.273 -14.766 1.00 89.62 C +ATOM 159 NE ARG A 21 27.281 -7.848 -14.961 1.00 89.62 N +ATOM 160 NH1 ARG A 21 26.547 -10.016 -15.234 1.00 89.62 N +ATOM 161 NH2 ARG A 21 28.781 -9.547 -15.344 1.00 89.62 N +ATOM 162 CZ ARG A 21 27.531 -9.133 -15.180 1.00 89.62 C +ATOM 163 N SER A 22 22.859 -2.715 -15.156 1.00 93.19 N +ATOM 164 CA SER A 22 21.500 -2.234 -15.320 1.00 93.19 C +ATOM 165 C SER A 22 20.484 -3.326 -14.984 1.00 93.19 C +ATOM 166 CB SER A 22 21.266 -1.738 -16.750 1.00 93.19 C +ATOM 167 O SER A 22 20.562 -4.438 -15.508 1.00 93.19 O +ATOM 168 OG SER A 22 19.891 -1.460 -16.969 1.00 93.19 O +ATOM 169 N PRO A 23 19.516 -3.002 -14.078 1.00 95.19 N +ATOM 170 CA PRO A 23 18.484 -3.980 -13.719 1.00 95.19 C +ATOM 171 C PRO A 23 17.484 -4.227 -14.852 1.00 95.19 C +ATOM 172 CB PRO A 23 17.781 -3.344 -12.508 1.00 95.19 C +ATOM 173 O PRO A 23 16.578 -5.059 -14.711 1.00 95.19 O +ATOM 174 CG PRO A 23 17.953 -1.871 -12.711 1.00 95.19 C +ATOM 175 CD PRO A 23 19.266 -1.622 -13.383 1.00 95.19 C +ATOM 176 N TYR A 24 17.734 -3.535 -15.906 1.00 96.94 N +ATOM 177 CA TYR A 24 16.828 -3.713 -17.047 1.00 96.94 C +ATOM 178 C TYR A 24 17.438 -4.652 -18.078 1.00 96.94 C +ATOM 179 CB TYR A 24 16.516 -2.363 -17.688 1.00 96.94 C +ATOM 180 O TYR A 24 16.734 -5.160 -18.953 1.00 96.94 O +ATOM 181 CG TYR A 24 15.836 -1.385 -16.750 1.00 96.94 C +ATOM 182 CD1 TYR A 24 14.555 -1.626 -16.266 1.00 96.94 C +ATOM 183 CD2 TYR A 24 16.484 -0.219 -16.359 1.00 96.94 C +ATOM 184 CE1 TYR A 24 13.930 -0.727 -15.414 1.00 96.94 C +ATOM 185 CE2 TYR A 24 15.867 0.687 -15.500 1.00 96.94 C +ATOM 186 OH TYR A 24 13.984 1.318 -14.180 1.00 96.94 O +ATOM 187 CZ TYR A 24 14.594 0.425 -15.031 1.00 96.94 C +ATOM 188 N GLU A 25 18.688 -4.957 -17.922 1.00 94.44 N +ATOM 189 CA GLU A 25 19.359 -5.699 -18.984 1.00 94.44 C +ATOM 190 C GLU A 25 19.984 -6.980 -18.453 1.00 94.44 C +ATOM 191 CB GLU A 25 20.422 -4.832 -19.656 1.00 94.44 C +ATOM 192 O GLU A 25 20.156 -7.949 -19.203 1.00 94.44 O +ATOM 193 CG GLU A 25 19.859 -3.613 -20.375 1.00 94.44 C +ATOM 194 CD GLU A 25 20.922 -2.781 -21.078 1.00 94.44 C +ATOM 195 OE1 GLU A 25 20.594 -1.734 -21.672 1.00 94.44 O +ATOM 196 OE2 GLU A 25 22.109 -3.182 -21.016 1.00 94.44 O +ATOM 197 N TYR A 26 20.266 -6.941 -17.141 1.00 94.62 N +ATOM 198 CA TYR A 26 21.031 -8.070 -16.625 1.00 94.62 C +ATOM 199 C TYR A 26 20.453 -8.555 -15.297 1.00 94.62 C +ATOM 200 CB TYR A 26 22.500 -7.691 -16.438 1.00 94.62 C +ATOM 201 O TYR A 26 19.984 -7.750 -14.492 1.00 94.62 O +ATOM 202 CG TYR A 26 23.203 -7.320 -17.734 1.00 94.62 C +ATOM 203 CD1 TYR A 26 23.812 -8.289 -18.516 1.00 94.62 C +ATOM 204 CD2 TYR A 26 23.234 -6.000 -18.172 1.00 94.62 C +ATOM 205 CE1 TYR A 26 24.453 -7.953 -19.703 1.00 94.62 C +ATOM 206 CE2 TYR A 26 23.875 -5.652 -19.359 1.00 94.62 C +ATOM 207 OH TYR A 26 25.109 -6.293 -21.281 1.00 94.62 O +ATOM 208 CZ TYR A 26 24.484 -6.633 -20.109 1.00 94.62 C +ATOM 209 N PRO A 27 20.562 -9.898 -15.133 1.00 94.75 N +ATOM 210 CA PRO A 27 20.219 -10.422 -13.812 1.00 94.75 C +ATOM 211 C PRO A 27 21.078 -9.828 -12.695 1.00 94.75 C +ATOM 212 CB PRO A 27 20.469 -11.930 -13.945 1.00 94.75 C +ATOM 213 O PRO A 27 22.250 -9.523 -12.922 1.00 94.75 O +ATOM 214 CG PRO A 27 20.297 -12.203 -15.406 1.00 94.75 C +ATOM 215 CD PRO A 27 20.812 -11.023 -16.188 1.00 94.75 C +ATOM 216 N GLN A 28 20.391 -9.695 -11.492 1.00 93.88 N +ATOM 217 CA GLN A 28 21.047 -9.008 -10.391 1.00 93.88 C +ATOM 218 C GLN A 28 21.531 -10.000 -9.328 1.00 93.88 C +ATOM 219 CB GLN A 28 20.125 -7.977 -9.766 1.00 93.88 C +ATOM 220 O GLN A 28 21.422 -9.734 -8.133 1.00 93.88 O +ATOM 221 CG GLN A 28 19.656 -6.898 -10.734 1.00 93.88 C +ATOM 222 CD GLN A 28 20.797 -6.055 -11.266 1.00 93.88 C +ATOM 223 NE2 GLN A 28 20.984 -6.070 -12.578 1.00 93.88 N +ATOM 224 OE1 GLN A 28 21.500 -5.391 -10.500 1.00 93.88 O +ATOM 225 N TYR A 29 22.156 -11.094 -9.711 1.00 92.06 N +ATOM 226 CA TYR A 29 22.547 -12.172 -8.812 1.00 92.06 C +ATOM 227 C TYR A 29 23.719 -11.758 -7.934 1.00 92.06 C +ATOM 228 CB TYR A 29 22.906 -13.438 -9.602 1.00 92.06 C +ATOM 229 O TYR A 29 24.000 -12.391 -6.910 1.00 92.06 O +ATOM 230 CG TYR A 29 21.734 -14.039 -10.344 1.00 92.06 C +ATOM 231 CD1 TYR A 29 20.500 -14.219 -9.711 1.00 92.06 C +ATOM 232 CD2 TYR A 29 21.859 -14.438 -11.664 1.00 92.06 C +ATOM 233 CE1 TYR A 29 19.422 -14.773 -10.391 1.00 92.06 C +ATOM 234 CE2 TYR A 29 20.781 -15.000 -12.352 1.00 92.06 C +ATOM 235 OH TYR A 29 18.516 -15.719 -12.383 1.00 92.06 O +ATOM 236 CZ TYR A 29 19.578 -15.164 -11.711 1.00 92.06 C +ATOM 237 N TYR A 30 24.312 -10.680 -8.328 1.00 89.75 N +ATOM 238 CA TYR A 30 25.438 -10.211 -7.527 1.00 89.75 C +ATOM 239 C TYR A 30 24.938 -9.461 -6.293 1.00 89.75 C +ATOM 240 CB TYR A 30 26.344 -9.312 -8.359 1.00 89.75 C +ATOM 241 O TYR A 30 25.719 -9.227 -5.355 1.00 89.75 O +ATOM 242 CG TYR A 30 25.703 -8.016 -8.789 1.00 89.75 C +ATOM 243 CD1 TYR A 30 24.922 -7.961 -9.945 1.00 89.75 C +ATOM 244 CD2 TYR A 30 25.859 -6.855 -8.047 1.00 89.75 C +ATOM 245 CE1 TYR A 30 24.328 -6.770 -10.352 1.00 89.75 C +ATOM 246 CE2 TYR A 30 25.266 -5.660 -8.445 1.00 89.75 C +ATOM 247 OH TYR A 30 23.906 -4.449 -9.992 1.00 89.75 O +ATOM 248 CZ TYR A 30 24.500 -5.629 -9.594 1.00 89.75 C +ATOM 249 N LEU A 31 23.578 -8.992 -6.336 1.00 89.69 N +ATOM 250 CA LEU A 31 23.016 -8.258 -5.203 1.00 89.69 C +ATOM 251 C LEU A 31 22.688 -9.203 -4.055 1.00 89.69 C +ATOM 252 CB LEU A 31 21.766 -7.492 -5.633 1.00 89.69 C +ATOM 253 O LEU A 31 22.938 -8.875 -2.889 1.00 89.69 O +ATOM 254 CG LEU A 31 21.969 -6.312 -6.582 1.00 89.69 C +ATOM 255 CD1 LEU A 31 20.641 -5.664 -6.934 1.00 89.69 C +ATOM 256 CD2 LEU A 31 22.922 -5.293 -5.969 1.00 89.69 C +ATOM 257 N VAL A 32 22.141 -10.359 -4.387 1.00 90.94 N +ATOM 258 CA VAL A 32 21.734 -11.336 -3.389 1.00 90.94 C +ATOM 259 C VAL A 32 21.781 -12.742 -3.990 1.00 90.94 C +ATOM 260 CB VAL A 32 20.312 -11.039 -2.850 1.00 90.94 C +ATOM 261 O VAL A 32 21.859 -12.898 -5.211 1.00 90.94 O +ATOM 262 CG1 VAL A 32 20.312 -9.742 -2.047 1.00 90.94 C +ATOM 263 CG2 VAL A 32 19.312 -10.969 -4.000 1.00 90.94 C +ATOM 264 N ASN A 33 21.766 -13.734 -3.146 1.00 92.25 N +ATOM 265 CA ASN A 33 21.703 -15.133 -3.559 1.00 92.25 C +ATOM 266 C ASN A 33 20.484 -15.414 -4.418 1.00 92.25 C +ATOM 267 CB ASN A 33 21.734 -16.047 -2.338 1.00 92.25 C +ATOM 268 O ASN A 33 19.391 -14.930 -4.125 1.00 92.25 O +ATOM 269 CG ASN A 33 21.875 -17.516 -2.709 1.00 92.25 C +ATOM 270 ND2 ASN A 33 22.781 -18.219 -2.027 1.00 92.25 N +ATOM 271 OD1 ASN A 33 21.188 -18.016 -3.605 1.00 92.25 O +ATOM 272 N PRO A 34 20.688 -16.125 -5.500 1.00 94.19 N +ATOM 273 CA PRO A 34 19.562 -16.484 -6.375 1.00 94.19 C +ATOM 274 C PRO A 34 18.391 -17.109 -5.605 1.00 94.19 C +ATOM 275 CB PRO A 34 20.172 -17.516 -7.332 1.00 94.19 C +ATOM 276 O PRO A 34 17.250 -17.031 -6.059 1.00 94.19 O +ATOM 277 CG PRO A 34 21.609 -17.125 -7.438 1.00 94.19 C +ATOM 278 CD PRO A 34 22.078 -16.609 -6.098 1.00 94.19 C +ATOM 279 N ALA A 35 18.641 -17.750 -4.535 1.00 95.88 N +ATOM 280 CA ALA A 35 17.578 -18.312 -3.705 1.00 95.88 C +ATOM 281 C ALA A 35 16.625 -17.219 -3.223 1.00 95.88 C +ATOM 282 CB ALA A 35 18.172 -19.062 -2.514 1.00 95.88 C +ATOM 283 O ALA A 35 15.422 -17.453 -3.082 1.00 95.88 O +ATOM 284 N ALA A 36 17.156 -16.031 -2.943 1.00 95.56 N +ATOM 285 CA ALA A 36 16.328 -14.906 -2.482 1.00 95.56 C +ATOM 286 C ALA A 36 15.320 -14.492 -3.547 1.00 95.56 C +ATOM 287 CB ALA A 36 17.219 -13.719 -2.105 1.00 95.56 C +ATOM 288 O ALA A 36 14.180 -14.141 -3.229 1.00 95.56 O +ATOM 289 N PHE A 37 15.680 -14.516 -4.766 1.00 97.06 N +ATOM 290 CA PHE A 37 14.766 -14.203 -5.859 1.00 97.06 C +ATOM 291 C PHE A 37 13.648 -15.242 -5.938 1.00 97.06 C +ATOM 292 CB PHE A 37 15.516 -14.148 -7.191 1.00 97.06 C +ATOM 293 O PHE A 37 12.492 -14.898 -6.203 1.00 97.06 O +ATOM 294 CG PHE A 37 16.469 -12.984 -7.297 1.00 97.06 C +ATOM 295 CD1 PHE A 37 16.047 -11.766 -7.809 1.00 97.06 C +ATOM 296 CD2 PHE A 37 17.781 -13.109 -6.883 1.00 97.06 C +ATOM 297 CE1 PHE A 37 16.922 -10.688 -7.910 1.00 97.06 C +ATOM 298 CE2 PHE A 37 18.672 -12.039 -6.980 1.00 97.06 C +ATOM 299 CZ PHE A 37 18.234 -10.828 -7.496 1.00 97.06 C +ATOM 300 N ALA A 38 14.039 -16.516 -5.734 1.00 97.31 N +ATOM 301 CA ALA A 38 13.039 -17.578 -5.719 1.00 97.31 C +ATOM 302 C ALA A 38 12.031 -17.375 -4.590 1.00 97.31 C +ATOM 303 CB ALA A 38 13.711 -18.938 -5.582 1.00 97.31 C +ATOM 304 O ALA A 38 10.828 -17.547 -4.785 1.00 97.31 O +ATOM 305 N VAL A 39 12.516 -16.953 -3.465 1.00 97.62 N +ATOM 306 CA VAL A 39 11.656 -16.688 -2.312 1.00 97.62 C +ATOM 307 C VAL A 39 10.703 -15.539 -2.619 1.00 97.62 C +ATOM 308 CB VAL A 39 12.484 -16.375 -1.047 1.00 97.62 C +ATOM 309 O VAL A 39 9.516 -15.617 -2.318 1.00 97.62 O +ATOM 310 CG1 VAL A 39 11.578 -15.906 0.088 1.00 97.62 C +ATOM 311 CG2 VAL A 39 13.289 -17.609 -0.619 1.00 97.62 C +ATOM 312 N LEU A 40 11.281 -14.508 -3.221 1.00 96.88 N +ATOM 313 CA LEU A 40 10.453 -13.375 -3.607 1.00 96.88 C +ATOM 314 C LEU A 40 9.359 -13.805 -4.578 1.00 96.88 C +ATOM 315 CB LEU A 40 11.320 -12.273 -4.242 1.00 96.88 C +ATOM 316 O LEU A 40 8.195 -13.422 -4.418 1.00 96.88 O +ATOM 317 CG LEU A 40 10.578 -11.031 -4.738 1.00 96.88 C +ATOM 318 CD1 LEU A 40 9.836 -10.359 -3.582 1.00 96.88 C +ATOM 319 CD2 LEU A 40 11.547 -10.062 -5.395 1.00 96.88 C +ATOM 320 N GLY A 41 9.773 -14.555 -5.570 1.00 98.12 N +ATOM 321 CA GLY A 41 8.805 -15.086 -6.516 1.00 98.12 C +ATOM 322 C GLY A 41 7.730 -15.930 -5.855 1.00 98.12 C +ATOM 323 O GLY A 41 6.547 -15.789 -6.168 1.00 98.12 O +ATOM 324 N ALA A 42 8.109 -16.828 -4.945 1.00 98.31 N +ATOM 325 CA ALA A 42 7.168 -17.672 -4.219 1.00 98.31 C +ATOM 326 C ALA A 42 6.203 -16.828 -3.389 1.00 98.31 C +ATOM 327 CB ALA A 42 7.914 -18.656 -3.324 1.00 98.31 C +ATOM 328 O ALA A 42 5.000 -17.109 -3.350 1.00 98.31 O +ATOM 329 N TYR A 43 6.723 -15.836 -2.775 1.00 97.94 N +ATOM 330 CA TYR A 43 5.902 -14.938 -1.971 1.00 97.94 C +ATOM 331 C TYR A 43 4.875 -14.219 -2.834 1.00 97.94 C +ATOM 332 CB TYR A 43 6.781 -13.914 -1.240 1.00 97.94 C +ATOM 333 O TYR A 43 3.701 -14.117 -2.467 1.00 97.94 O +ATOM 334 CG TYR A 43 5.996 -12.914 -0.428 1.00 97.94 C +ATOM 335 CD1 TYR A 43 6.008 -11.562 -0.760 1.00 97.94 C +ATOM 336 CD2 TYR A 43 5.246 -13.312 0.671 1.00 97.94 C +ATOM 337 CE1 TYR A 43 5.289 -10.633 -0.014 1.00 97.94 C +ATOM 338 CE2 TYR A 43 4.523 -12.398 1.424 1.00 97.94 C +ATOM 339 OH TYR A 43 3.840 -10.141 1.816 1.00 97.94 O +ATOM 340 CZ TYR A 43 4.555 -11.055 1.074 1.00 97.94 C +ATOM 341 N MET A 44 5.297 -13.672 -3.939 1.00 98.25 N +ATOM 342 CA MET A 44 4.375 -13.000 -4.852 1.00 98.25 C +ATOM 343 C MET A 44 3.303 -13.969 -5.348 1.00 98.25 C +ATOM 344 CB MET A 44 5.133 -12.406 -6.043 1.00 98.25 C +ATOM 345 O MET A 44 2.133 -13.602 -5.457 1.00 98.25 O +ATOM 346 CG MET A 44 6.059 -11.266 -5.668 1.00 98.25 C +ATOM 347 SD MET A 44 5.180 -9.906 -4.797 1.00 98.25 S +ATOM 348 CE MET A 44 6.594 -9.023 -4.074 1.00 98.25 C +ATOM 349 N PHE A 45 3.777 -15.133 -5.656 1.00 98.31 N +ATOM 350 CA PHE A 45 2.834 -16.156 -6.070 1.00 98.31 C +ATOM 351 C PHE A 45 1.789 -16.406 -4.988 1.00 98.31 C +ATOM 352 CB PHE A 45 3.570 -17.469 -6.395 1.00 98.31 C +ATOM 353 O PHE A 45 0.596 -16.500 -5.281 1.00 98.31 O +ATOM 354 CG PHE A 45 2.664 -18.578 -6.863 1.00 98.31 C +ATOM 355 CD1 PHE A 45 2.412 -19.672 -6.055 1.00 98.31 C +ATOM 356 CD2 PHE A 45 2.066 -18.516 -8.117 1.00 98.31 C +ATOM 357 CE1 PHE A 45 1.574 -20.703 -6.488 1.00 98.31 C +ATOM 358 CE2 PHE A 45 1.229 -19.531 -8.555 1.00 98.31 C +ATOM 359 CZ PHE A 45 0.984 -20.625 -7.742 1.00 98.31 C +ATOM 360 N PHE A 46 2.227 -16.516 -3.773 1.00 98.19 N +ATOM 361 CA PHE A 46 1.328 -16.656 -2.635 1.00 98.19 C +ATOM 362 C PHE A 46 0.315 -15.523 -2.590 1.00 98.19 C +ATOM 363 CB PHE A 46 2.121 -16.719 -1.325 1.00 98.19 C +ATOM 364 O PHE A 46 -0.884 -15.758 -2.430 1.00 98.19 O +ATOM 365 CG PHE A 46 1.269 -16.562 -0.093 1.00 98.19 C +ATOM 366 CD1 PHE A 46 1.163 -15.352 0.560 1.00 98.19 C +ATOM 367 CD2 PHE A 46 0.572 -17.656 0.412 1.00 98.19 C +ATOM 368 CE1 PHE A 46 0.375 -15.211 1.700 1.00 98.19 C +ATOM 369 CE2 PHE A 46 -0.218 -17.531 1.551 1.00 98.19 C +ATOM 370 CZ PHE A 46 -0.315 -16.312 2.193 1.00 98.19 C +ATOM 371 N LEU A 47 0.770 -14.328 -2.713 1.00 98.00 N +ATOM 372 CA LEU A 47 -0.115 -13.164 -2.674 1.00 98.00 C +ATOM 373 C LEU A 47 -1.136 -13.227 -3.805 1.00 98.00 C +ATOM 374 CB LEU A 47 0.696 -11.875 -2.768 1.00 98.00 C +ATOM 375 O LEU A 47 -2.303 -12.883 -3.611 1.00 98.00 O +ATOM 376 CG LEU A 47 1.598 -11.547 -1.576 1.00 98.00 C +ATOM 377 CD1 LEU A 47 2.342 -10.234 -1.814 1.00 98.00 C +ATOM 378 CD2 LEU A 47 0.780 -11.477 -0.290 1.00 98.00 C +ATOM 379 N ILE A 48 -0.759 -13.703 -4.910 1.00 98.38 N +ATOM 380 CA ILE A 48 -1.618 -13.758 -6.086 1.00 98.38 C +ATOM 381 C ILE A 48 -2.695 -14.820 -5.891 1.00 98.38 C +ATOM 382 CB ILE A 48 -0.805 -14.047 -7.367 1.00 98.38 C +ATOM 383 O ILE A 48 -3.879 -14.562 -6.121 1.00 98.38 O +ATOM 384 CG1 ILE A 48 0.085 -12.852 -7.719 1.00 98.38 C +ATOM 385 CG2 ILE A 48 -1.736 -14.398 -8.531 1.00 98.38 C +ATOM 386 CD1 ILE A 48 1.172 -13.164 -8.742 1.00 98.38 C +ATOM 387 N ILE A 49 -2.381 -15.977 -5.469 1.00 98.00 N +ATOM 388 CA ILE A 49 -3.297 -17.109 -5.379 1.00 98.00 C +ATOM 389 C ILE A 49 -4.328 -16.859 -4.281 1.00 98.00 C +ATOM 390 CB ILE A 49 -2.541 -18.438 -5.105 1.00 98.00 C +ATOM 391 O ILE A 49 -5.469 -17.312 -4.375 1.00 98.00 O +ATOM 392 CG1 ILE A 49 -3.426 -19.641 -5.453 1.00 98.00 C +ATOM 393 CG2 ILE A 49 -2.076 -18.500 -3.650 1.00 98.00 C +ATOM 394 CD1 ILE A 49 -2.646 -20.875 -5.852 1.00 98.00 C +ATOM 395 N PHE A 50 -3.941 -16.047 -3.318 1.00 96.31 N +ATOM 396 CA PHE A 50 -4.887 -15.766 -2.248 1.00 96.31 C +ATOM 397 C PHE A 50 -5.531 -14.398 -2.451 1.00 96.31 C +ATOM 398 CB PHE A 50 -4.191 -15.820 -0.883 1.00 96.31 C +ATOM 399 O PHE A 50 -6.723 -14.227 -2.188 1.00 96.31 O +ATOM 400 CG PHE A 50 -3.916 -17.219 -0.398 1.00 96.31 C +ATOM 401 CD1 PHE A 50 -4.918 -17.969 0.202 1.00 96.31 C +ATOM 402 CD2 PHE A 50 -2.654 -17.781 -0.542 1.00 96.31 C +ATOM 403 CE1 PHE A 50 -4.664 -19.266 0.652 1.00 96.31 C +ATOM 404 CE2 PHE A 50 -2.393 -19.062 -0.095 1.00 96.31 C +ATOM 405 CZ PHE A 50 -3.400 -19.812 0.503 1.00 96.31 C +ATOM 406 N GLY A 51 -4.742 -13.516 -2.904 1.00 97.00 N +ATOM 407 CA GLY A 51 -5.215 -12.148 -3.076 1.00 97.00 C +ATOM 408 C GLY A 51 -6.270 -12.008 -4.160 1.00 97.00 C +ATOM 409 O GLY A 51 -7.270 -11.320 -3.973 1.00 97.00 O +ATOM 410 N PHE A 52 -6.055 -12.695 -5.258 1.00 97.19 N +ATOM 411 CA PHE A 52 -6.977 -12.555 -6.379 1.00 97.19 C +ATOM 412 C PHE A 52 -8.344 -13.117 -6.031 1.00 97.19 C +ATOM 413 CB PHE A 52 -6.422 -13.250 -7.625 1.00 97.19 C +ATOM 414 O PHE A 52 -9.359 -12.414 -6.113 1.00 97.19 O +ATOM 415 CG PHE A 52 -7.285 -13.086 -8.852 1.00 97.19 C +ATOM 416 CD1 PHE A 52 -8.250 -14.039 -9.164 1.00 97.19 C +ATOM 417 CD2 PHE A 52 -7.137 -11.984 -9.680 1.00 97.19 C +ATOM 418 CE1 PHE A 52 -9.047 -13.891 -10.297 1.00 97.19 C +ATOM 419 CE2 PHE A 52 -7.934 -11.828 -10.812 1.00 97.19 C +ATOM 420 CZ PHE A 52 -8.891 -12.789 -11.117 1.00 97.19 C +ATOM 421 N PRO A 53 -8.359 -14.375 -5.570 1.00 96.00 N +ATOM 422 CA PRO A 53 -9.680 -14.953 -5.305 1.00 96.00 C +ATOM 423 C PRO A 53 -10.453 -14.195 -4.234 1.00 96.00 C +ATOM 424 CB PRO A 53 -9.344 -16.375 -4.836 1.00 96.00 C +ATOM 425 O PRO A 53 -11.656 -13.969 -4.383 1.00 96.00 O +ATOM 426 CG PRO A 53 -8.023 -16.688 -5.465 1.00 96.00 C +ATOM 427 CD PRO A 53 -7.227 -15.422 -5.547 1.00 96.00 C +ATOM 428 N ILE A 54 -9.844 -13.836 -3.156 1.00 94.81 N +ATOM 429 CA ILE A 54 -10.531 -13.188 -2.045 1.00 94.81 C +ATOM 430 C ILE A 54 -11.086 -11.844 -2.496 1.00 94.81 C +ATOM 431 CB ILE A 54 -9.594 -13.000 -0.831 1.00 94.81 C +ATOM 432 O ILE A 54 -12.219 -11.484 -2.158 1.00 94.81 O +ATOM 433 CG1 ILE A 54 -10.398 -12.586 0.407 1.00 94.81 C +ATOM 434 CG2 ILE A 54 -8.500 -11.969 -1.145 1.00 94.81 C +ATOM 435 CD1 ILE A 54 -9.609 -12.648 1.707 1.00 94.81 C +ATOM 436 N ASN A 55 -10.344 -11.133 -3.248 1.00 96.12 N +ATOM 437 CA ASN A 55 -10.789 -9.820 -3.703 1.00 96.12 C +ATOM 438 C ASN A 55 -11.828 -9.945 -4.812 1.00 96.12 C +ATOM 439 CB ASN A 55 -9.602 -8.984 -4.176 1.00 96.12 C +ATOM 440 O ASN A 55 -12.797 -9.180 -4.848 1.00 96.12 O +ATOM 441 CG ASN A 55 -8.766 -8.453 -3.027 1.00 96.12 C +ATOM 442 ND2 ASN A 55 -7.605 -9.062 -2.811 1.00 96.12 N +ATOM 443 OD1 ASN A 55 -9.164 -7.508 -2.340 1.00 96.12 O +ATOM 444 N PHE A 56 -11.641 -10.883 -5.676 1.00 95.69 N +ATOM 445 CA PHE A 56 -12.633 -11.133 -6.715 1.00 95.69 C +ATOM 446 C PHE A 56 -13.953 -11.586 -6.105 1.00 95.69 C +ATOM 447 CB PHE A 56 -12.117 -12.195 -7.699 1.00 95.69 C +ATOM 448 O PHE A 56 -15.016 -11.102 -6.492 1.00 95.69 O +ATOM 449 CG PHE A 56 -13.055 -12.453 -8.852 1.00 95.69 C +ATOM 450 CD1 PHE A 56 -13.969 -13.492 -8.805 1.00 95.69 C +ATOM 451 CD2 PHE A 56 -13.008 -11.648 -9.984 1.00 95.69 C +ATOM 452 CE1 PHE A 56 -14.836 -13.727 -9.867 1.00 95.69 C +ATOM 453 CE2 PHE A 56 -13.867 -11.883 -11.055 1.00 95.69 C +ATOM 454 CZ PHE A 56 -14.781 -12.922 -10.992 1.00 95.69 C +ATOM 455 N LEU A 57 -13.883 -12.492 -5.184 1.00 93.25 N +ATOM 456 CA LEU A 57 -15.078 -13.000 -4.516 1.00 93.25 C +ATOM 457 C LEU A 57 -15.805 -11.875 -3.783 1.00 93.25 C +ATOM 458 CB LEU A 57 -14.711 -14.109 -3.529 1.00 93.25 C +ATOM 459 O LEU A 57 -17.031 -11.828 -3.770 1.00 93.25 O +ATOM 460 CG LEU A 57 -15.883 -14.875 -2.908 1.00 93.25 C +ATOM 461 CD1 LEU A 57 -16.719 -15.531 -3.996 1.00 93.25 C +ATOM 462 CD2 LEU A 57 -15.367 -15.922 -1.918 1.00 93.25 C +ATOM 463 N THR A 58 -15.078 -11.023 -3.172 1.00 92.88 N +ATOM 464 CA THR A 58 -15.664 -9.875 -2.494 1.00 92.88 C +ATOM 465 C THR A 58 -16.500 -9.047 -3.461 1.00 92.88 C +ATOM 466 CB THR A 58 -14.586 -8.984 -1.855 1.00 92.88 C +ATOM 467 O THR A 58 -17.625 -8.656 -3.141 1.00 92.88 O +ATOM 468 CG2 THR A 58 -15.195 -7.746 -1.215 1.00 92.88 C +ATOM 469 OG1 THR A 58 -13.891 -9.734 -0.850 1.00 92.88 O +ATOM 470 N LEU A 59 -15.977 -8.828 -4.637 1.00 93.75 N +ATOM 471 CA LEU A 59 -16.703 -8.078 -5.656 1.00 93.75 C +ATOM 472 C LEU A 59 -17.922 -8.852 -6.129 1.00 93.75 C +ATOM 473 CB LEU A 59 -15.789 -7.762 -6.848 1.00 93.75 C +ATOM 474 O LEU A 59 -19.031 -8.289 -6.207 1.00 93.75 O +ATOM 475 CG LEU A 59 -14.672 -6.754 -6.598 1.00 93.75 C +ATOM 476 CD1 LEU A 59 -13.734 -6.695 -7.797 1.00 93.75 C +ATOM 477 CD2 LEU A 59 -15.242 -5.379 -6.289 1.00 93.75 C +ATOM 478 N TYR A 60 -17.672 -10.062 -6.418 1.00 93.19 N +ATOM 479 CA TYR A 60 -18.734 -10.914 -6.934 1.00 93.19 C +ATOM 480 C TYR A 60 -19.875 -11.031 -5.930 1.00 93.19 C +ATOM 481 CB TYR A 60 -18.188 -12.312 -7.270 1.00 93.19 C +ATOM 482 O TYR A 60 -21.047 -10.883 -6.285 1.00 93.19 O +ATOM 483 CG TYR A 60 -19.250 -13.273 -7.746 1.00 93.19 C +ATOM 484 CD1 TYR A 60 -19.719 -14.281 -6.910 1.00 93.19 C +ATOM 485 CD2 TYR A 60 -19.766 -13.180 -9.031 1.00 93.19 C +ATOM 486 CE1 TYR A 60 -20.688 -15.180 -7.344 1.00 93.19 C +ATOM 487 CE2 TYR A 60 -20.750 -14.070 -9.477 1.00 93.19 C +ATOM 488 OH TYR A 60 -22.156 -15.945 -9.062 1.00 93.19 O +ATOM 489 CZ TYR A 60 -21.203 -15.062 -8.625 1.00 93.19 C +ATOM 490 N VAL A 61 -19.609 -11.305 -4.656 1.00 92.06 N +ATOM 491 CA VAL A 61 -20.609 -11.500 -3.609 1.00 92.06 C +ATOM 492 C VAL A 61 -21.406 -10.211 -3.396 1.00 92.06 C +ATOM 493 CB VAL A 61 -19.953 -11.945 -2.281 1.00 92.06 C +ATOM 494 O VAL A 61 -22.625 -10.250 -3.213 1.00 92.06 O +ATOM 495 CG1 VAL A 61 -20.969 -11.875 -1.134 1.00 92.06 C +ATOM 496 CG2 VAL A 61 -19.391 -13.359 -2.416 1.00 92.06 C +ATOM 497 N THR A 62 -20.719 -9.141 -3.402 1.00 90.62 N +ATOM 498 CA THR A 62 -21.406 -7.867 -3.232 1.00 90.62 C +ATOM 499 C THR A 62 -22.391 -7.617 -4.379 1.00 90.62 C +ATOM 500 CB THR A 62 -20.406 -6.699 -3.148 1.00 90.62 C +ATOM 501 O THR A 62 -23.500 -7.117 -4.164 1.00 90.62 O +ATOM 502 CG2 THR A 62 -21.125 -5.371 -2.938 1.00 90.62 C +ATOM 503 OG1 THR A 62 -19.516 -6.926 -2.053 1.00 90.62 O +ATOM 504 N LEU A 63 -21.984 -7.992 -5.605 1.00 89.06 N +ATOM 505 CA LEU A 63 -22.844 -7.816 -6.777 1.00 89.06 C +ATOM 506 C LEU A 63 -24.016 -8.781 -6.742 1.00 89.06 C +ATOM 507 CB LEU A 63 -22.031 -8.023 -8.062 1.00 89.06 C +ATOM 508 O LEU A 63 -25.125 -8.438 -7.180 1.00 89.06 O +ATOM 509 CG LEU A 63 -21.016 -6.934 -8.398 1.00 89.06 C +ATOM 510 CD1 LEU A 63 -20.203 -7.332 -9.633 1.00 89.06 C +ATOM 511 CD2 LEU A 63 -21.719 -5.594 -8.625 1.00 89.06 C +ATOM 512 N GLU A 64 -23.812 -9.938 -6.281 1.00 91.06 N +ATOM 513 CA GLU A 64 -24.812 -11.000 -6.258 1.00 91.06 C +ATOM 514 C GLU A 64 -25.891 -10.727 -5.207 1.00 91.06 C +ATOM 515 CB GLU A 64 -24.156 -12.352 -5.996 1.00 91.06 C +ATOM 516 O GLU A 64 -27.062 -11.031 -5.418 1.00 91.06 O +ATOM 517 CG GLU A 64 -25.125 -13.523 -6.027 1.00 91.06 C +ATOM 518 CD GLU A 64 -24.438 -14.875 -5.891 1.00 91.06 C +ATOM 519 OE1 GLU A 64 -25.141 -15.914 -5.852 1.00 91.06 O +ATOM 520 OE2 GLU A 64 -23.188 -14.898 -5.824 1.00 91.06 O +ATOM 521 N HIS A 65 -25.469 -10.117 -4.051 1.00 91.38 N +ATOM 522 CA HIS A 65 -26.406 -9.945 -2.938 1.00 91.38 C +ATOM 523 C HIS A 65 -26.750 -8.469 -2.740 1.00 91.38 C +ATOM 524 CB HIS A 65 -25.797 -10.516 -1.650 1.00 91.38 C +ATOM 525 O HIS A 65 -25.938 -7.691 -2.250 1.00 91.38 O +ATOM 526 CG HIS A 65 -25.594 -11.992 -1.693 1.00 91.38 C +ATOM 527 CD2 HIS A 65 -24.516 -12.727 -2.092 1.00 91.38 C +ATOM 528 ND1 HIS A 65 -26.547 -12.898 -1.295 1.00 91.38 N +ATOM 529 CE1 HIS A 65 -26.078 -14.125 -1.446 1.00 91.38 C +ATOM 530 NE2 HIS A 65 -24.859 -14.047 -1.928 1.00 91.38 N +ATOM 531 N LYS A 66 -28.078 -8.148 -2.994 1.00 89.12 N +ATOM 532 CA LYS A 66 -28.562 -6.773 -2.943 1.00 89.12 C +ATOM 533 C LYS A 66 -28.438 -6.195 -1.537 1.00 89.12 C +ATOM 534 CB LYS A 66 -30.031 -6.707 -3.406 1.00 89.12 C +ATOM 535 O LYS A 66 -28.234 -4.992 -1.372 1.00 89.12 O +ATOM 536 CG LYS A 66 -30.203 -6.922 -4.902 1.00 89.12 C +ATOM 537 CD LYS A 66 -31.656 -6.730 -5.316 1.00 89.12 C +ATOM 538 CE LYS A 66 -31.859 -6.992 -6.805 1.00 89.12 C +ATOM 539 NZ LYS A 66 -33.250 -6.715 -7.238 1.00 89.12 N +ATOM 540 N LYS A 67 -28.500 -7.066 -0.614 1.00 88.56 N +ATOM 541 CA LYS A 67 -28.469 -6.648 0.785 1.00 88.56 C +ATOM 542 C LYS A 67 -27.109 -6.074 1.155 1.00 88.56 C +ATOM 543 CB LYS A 67 -28.812 -7.824 1.703 1.00 88.56 C +ATOM 544 O LYS A 67 -26.984 -5.340 2.137 1.00 88.56 O +ATOM 545 CG LYS A 67 -27.859 -9.000 1.581 1.00 88.56 C +ATOM 546 CD LYS A 67 -28.266 -10.156 2.488 1.00 88.56 C +ATOM 547 CE LYS A 67 -27.359 -11.359 2.307 1.00 88.56 C +ATOM 548 NZ LYS A 67 -27.797 -12.516 3.156 1.00 88.56 N +ATOM 549 N LEU A 68 -26.047 -6.484 0.399 1.00 88.88 N +ATOM 550 CA LEU A 68 -24.703 -6.020 0.689 1.00 88.88 C +ATOM 551 C LEU A 68 -24.406 -4.715 -0.039 1.00 88.88 C +ATOM 552 CB LEU A 68 -23.672 -7.082 0.292 1.00 88.88 C +ATOM 553 O LEU A 68 -23.375 -4.078 0.205 1.00 88.88 O +ATOM 554 CG LEU A 68 -23.703 -8.391 1.083 1.00 88.88 C +ATOM 555 CD1 LEU A 68 -22.641 -9.352 0.562 1.00 88.88 C +ATOM 556 CD2 LEU A 68 -23.516 -8.125 2.570 1.00 88.88 C +ATOM 557 N ARG A 69 -25.281 -4.238 -0.891 1.00 90.12 N +ATOM 558 CA ARG A 69 -25.078 -3.029 -1.678 1.00 90.12 C +ATOM 559 C ARG A 69 -25.516 -1.790 -0.907 1.00 90.12 C +ATOM 560 CB ARG A 69 -25.812 -3.113 -3.010 1.00 90.12 C +ATOM 561 O ARG A 69 -26.469 -1.118 -1.300 1.00 90.12 O +ATOM 562 CG ARG A 69 -25.422 -4.309 -3.861 1.00 90.12 C +ATOM 563 CD ARG A 69 -26.266 -4.406 -5.125 1.00 90.12 C +ATOM 564 NE ARG A 69 -26.141 -5.715 -5.762 1.00 90.12 N +ATOM 565 NH1 ARG A 69 -27.953 -5.430 -7.172 1.00 90.12 N +ATOM 566 NH2 ARG A 69 -26.734 -7.375 -7.230 1.00 90.12 N +ATOM 567 CZ ARG A 69 -26.953 -6.172 -6.719 1.00 90.12 C +ATOM 568 N THR A 70 -24.844 -1.633 0.148 1.00 88.69 N +ATOM 569 CA THR A 70 -25.062 -0.481 1.017 1.00 88.69 C +ATOM 570 C THR A 70 -23.859 0.465 0.971 1.00 88.69 C +ATOM 571 CB THR A 70 -25.312 -0.919 2.471 1.00 88.69 C +ATOM 572 O THR A 70 -22.750 0.057 0.615 1.00 88.69 O +ATOM 573 CG2 THR A 70 -26.484 -1.896 2.553 1.00 88.69 C +ATOM 574 OG1 THR A 70 -24.141 -1.554 2.986 1.00 88.69 O +ATOM 575 N PRO A 71 -24.172 1.729 1.175 1.00 84.31 N +ATOM 576 CA PRO A 71 -23.094 2.719 1.141 1.00 84.31 C +ATOM 577 C PRO A 71 -21.906 2.318 2.000 1.00 84.31 C +ATOM 578 CB PRO A 71 -23.766 3.984 1.688 1.00 84.31 C +ATOM 579 O PRO A 71 -20.750 2.566 1.622 1.00 84.31 O +ATOM 580 CG PRO A 71 -25.203 3.848 1.319 1.00 84.31 C +ATOM 581 CD PRO A 71 -25.594 2.402 1.438 1.00 84.31 C +ATOM 582 N LEU A 72 -22.141 1.546 2.996 1.00 79.69 N +ATOM 583 CA LEU A 72 -21.062 1.152 3.904 1.00 79.69 C +ATOM 584 C LEU A 72 -20.156 0.119 3.250 1.00 79.69 C +ATOM 585 CB LEU A 72 -21.641 0.591 5.207 1.00 79.69 C +ATOM 586 O LEU A 72 -18.953 0.090 3.518 1.00 79.69 O +ATOM 587 CG LEU A 72 -22.297 1.603 6.152 1.00 79.69 C +ATOM 588 CD1 LEU A 72 -22.938 0.886 7.336 1.00 79.69 C +ATOM 589 CD2 LEU A 72 -21.266 2.625 6.625 1.00 79.69 C +ATOM 590 N ASN A 73 -20.672 -0.572 2.275 1.00 87.00 N +ATOM 591 CA ASN A 73 -19.922 -1.648 1.644 1.00 87.00 C +ATOM 592 C ASN A 73 -19.188 -1.159 0.402 1.00 87.00 C +ATOM 593 CB ASN A 73 -20.844 -2.814 1.287 1.00 87.00 C +ATOM 594 O ASN A 73 -18.344 -1.877 -0.150 1.00 87.00 O +ATOM 595 CG ASN A 73 -21.188 -3.682 2.484 1.00 87.00 C +ATOM 596 ND2 ASN A 73 -22.188 -4.539 2.334 1.00 87.00 N +ATOM 597 OD1 ASN A 73 -20.547 -3.580 3.537 1.00 87.00 O +ATOM 598 N TYR A 74 -19.484 0.069 -0.057 1.00 86.81 N +ATOM 599 CA TYR A 74 -18.812 0.612 -1.237 1.00 86.81 C +ATOM 600 C TYR A 74 -17.312 0.756 -1.002 1.00 86.81 C +ATOM 601 CB TYR A 74 -19.422 1.968 -1.617 1.00 86.81 C +ATOM 602 O TYR A 74 -16.516 0.593 -1.927 1.00 86.81 O +ATOM 603 CG TYR A 74 -20.750 1.865 -2.330 1.00 86.81 C +ATOM 604 CD1 TYR A 74 -21.438 0.661 -2.373 1.00 86.81 C +ATOM 605 CD2 TYR A 74 -21.297 2.971 -2.963 1.00 86.81 C +ATOM 606 CE1 TYR A 74 -22.672 0.561 -3.031 1.00 86.81 C +ATOM 607 CE2 TYR A 74 -22.516 2.883 -3.623 1.00 86.81 C +ATOM 608 OH TYR A 74 -24.406 1.582 -4.305 1.00 86.81 O +ATOM 609 CZ TYR A 74 -23.203 1.675 -3.652 1.00 86.81 C +ATOM 610 N ILE A 75 -16.984 1.090 0.224 1.00 84.38 N +ATOM 611 CA ILE A 75 -15.570 1.253 0.522 1.00 84.38 C +ATOM 612 C ILE A 75 -14.867 -0.098 0.425 1.00 84.38 C +ATOM 613 CB ILE A 75 -15.359 1.871 1.922 1.00 84.38 C +ATOM 614 O ILE A 75 -13.734 -0.181 -0.063 1.00 84.38 O +ATOM 615 CG1 ILE A 75 -15.820 3.332 1.938 1.00 84.38 C +ATOM 616 CG2 ILE A 75 -13.891 1.754 2.344 1.00 84.38 C +ATOM 617 CD1 ILE A 75 -15.883 3.945 3.328 1.00 84.38 C +ATOM 618 N LEU A 76 -15.602 -1.139 0.873 1.00 82.50 N +ATOM 619 CA LEU A 76 -15.062 -2.490 0.758 1.00 82.50 C +ATOM 620 C LEU A 76 -14.859 -2.871 -0.704 1.00 82.50 C +ATOM 621 CB LEU A 76 -16.000 -3.498 1.432 1.00 82.50 C +ATOM 622 O LEU A 76 -13.844 -3.482 -1.053 1.00 82.50 O +ATOM 623 CG LEU A 76 -16.094 -3.426 2.957 1.00 82.50 C +ATOM 624 CD1 LEU A 76 -17.125 -4.418 3.475 1.00 82.50 C +ATOM 625 CD2 LEU A 76 -14.727 -3.695 3.584 1.00 82.50 C +ATOM 626 N LEU A 77 -15.797 -2.506 -1.482 1.00 90.00 N +ATOM 627 CA LEU A 77 -15.695 -2.762 -2.914 1.00 90.00 C +ATOM 628 C LEU A 77 -14.508 -2.016 -3.518 1.00 90.00 C +ATOM 629 CB LEU A 77 -16.984 -2.348 -3.627 1.00 90.00 C +ATOM 630 O LEU A 77 -13.773 -2.572 -4.332 1.00 90.00 O +ATOM 631 CG LEU A 77 -18.234 -3.197 -3.330 1.00 90.00 C +ATOM 632 CD1 LEU A 77 -19.469 -2.553 -3.939 1.00 90.00 C +ATOM 633 CD2 LEU A 77 -18.047 -4.617 -3.857 1.00 90.00 C +ATOM 634 N ASN A 78 -14.398 -0.800 -3.094 1.00 93.25 N +ATOM 635 CA ASN A 78 -13.289 0.036 -3.539 1.00 93.25 C +ATOM 636 C ASN A 78 -11.938 -0.592 -3.195 1.00 93.25 C +ATOM 637 CB ASN A 78 -13.391 1.436 -2.928 1.00 93.25 C +ATOM 638 O ASN A 78 -11.031 -0.606 -4.023 1.00 93.25 O +ATOM 639 CG ASN A 78 -12.562 2.461 -3.674 1.00 93.25 C +ATOM 640 ND2 ASN A 78 -11.969 3.391 -2.938 1.00 93.25 N +ATOM 641 OD1 ASN A 78 -12.461 2.418 -4.902 1.00 93.25 O +ATOM 642 N LEU A 79 -11.812 -1.146 -2.021 1.00 91.88 N +ATOM 643 CA LEU A 79 -10.609 -1.824 -1.562 1.00 91.88 C +ATOM 644 C LEU A 79 -10.297 -3.039 -2.432 1.00 91.88 C +ATOM 645 CB LEU A 79 -10.758 -2.252 -0.099 1.00 91.88 C +ATOM 646 O LEU A 79 -9.141 -3.285 -2.777 1.00 91.88 O +ATOM 647 CG LEU A 79 -10.469 -1.182 0.954 1.00 91.88 C +ATOM 648 CD1 LEU A 79 -11.008 -1.612 2.311 1.00 91.88 C +ATOM 649 CD2 LEU A 79 -8.969 -0.903 1.037 1.00 91.88 C +ATOM 650 N ALA A 80 -11.352 -3.768 -2.721 1.00 95.38 N +ATOM 651 CA ALA A 80 -11.180 -4.957 -3.547 1.00 95.38 C +ATOM 652 C ALA A 80 -10.664 -4.594 -4.938 1.00 95.38 C +ATOM 653 CB ALA A 80 -12.500 -5.723 -3.658 1.00 95.38 C +ATOM 654 O ALA A 80 -9.766 -5.254 -5.465 1.00 95.38 O +ATOM 655 N VAL A 81 -11.227 -3.582 -5.473 1.00 95.69 N +ATOM 656 CA VAL A 81 -10.773 -3.115 -6.781 1.00 95.69 C +ATOM 657 C VAL A 81 -9.320 -2.660 -6.695 1.00 95.69 C +ATOM 658 CB VAL A 81 -11.664 -1.965 -7.305 1.00 95.69 C +ATOM 659 O VAL A 81 -8.508 -3.002 -7.559 1.00 95.69 O +ATOM 660 CG1 VAL A 81 -11.062 -1.356 -8.570 1.00 95.69 C +ATOM 661 CG2 VAL A 81 -13.086 -2.465 -7.566 1.00 95.69 C +ATOM 662 N ALA A 82 -8.969 -1.927 -5.684 1.00 95.81 N +ATOM 663 CA ALA A 82 -7.602 -1.456 -5.457 1.00 95.81 C +ATOM 664 C ALA A 82 -6.625 -2.625 -5.371 1.00 95.81 C +ATOM 665 CB ALA A 82 -7.535 -0.615 -4.184 1.00 95.81 C +ATOM 666 O ALA A 82 -5.574 -2.611 -6.016 1.00 95.81 O +ATOM 667 N ASP A 83 -7.023 -3.611 -4.664 1.00 96.75 N +ATOM 668 CA ASP A 83 -6.168 -4.773 -4.441 1.00 96.75 C +ATOM 669 C ASP A 83 -5.957 -5.551 -5.738 1.00 96.75 C +ATOM 670 CB ASP A 83 -6.770 -5.688 -3.371 1.00 96.75 C +ATOM 671 O ASP A 83 -4.871 -6.082 -5.977 1.00 96.75 O +ATOM 672 CG ASP A 83 -6.715 -5.082 -1.979 1.00 96.75 C +ATOM 673 OD1 ASP A 83 -5.898 -4.164 -1.743 1.00 96.75 O +ATOM 674 OD2 ASP A 83 -7.492 -5.531 -1.108 1.00 96.75 O +ATOM 675 N LEU A 84 -6.949 -5.551 -6.562 1.00 96.94 N +ATOM 676 CA LEU A 84 -6.824 -6.258 -7.832 1.00 96.94 C +ATOM 677 C LEU A 84 -5.844 -5.539 -8.758 1.00 96.94 C +ATOM 678 CB LEU A 84 -8.188 -6.383 -8.516 1.00 96.94 C +ATOM 679 O LEU A 84 -5.133 -6.184 -9.531 1.00 96.94 O +ATOM 680 CG LEU A 84 -9.156 -7.402 -7.910 1.00 96.94 C +ATOM 681 CD1 LEU A 84 -10.531 -7.273 -8.555 1.00 96.94 C +ATOM 682 CD2 LEU A 84 -8.617 -8.820 -8.078 1.00 96.94 C +ATOM 683 N PHE A 85 -5.805 -4.211 -8.672 1.00 93.56 N +ATOM 684 CA PHE A 85 -4.797 -3.461 -9.414 1.00 93.56 C +ATOM 685 C PHE A 85 -3.395 -3.893 -9.000 1.00 93.56 C +ATOM 686 CB PHE A 85 -4.973 -1.956 -9.188 1.00 93.56 C +ATOM 687 O PHE A 85 -2.516 -4.055 -9.852 1.00 93.56 O +ATOM 688 CG PHE A 85 -5.883 -1.293 -10.180 1.00 93.56 C +ATOM 689 CD1 PHE A 85 -5.457 -1.062 -11.484 1.00 93.56 C +ATOM 690 CD2 PHE A 85 -7.164 -0.900 -9.820 1.00 93.56 C +ATOM 691 CE1 PHE A 85 -6.297 -0.449 -12.414 1.00 93.56 C +ATOM 692 CE2 PHE A 85 -8.008 -0.287 -10.742 1.00 93.56 C +ATOM 693 CZ PHE A 85 -7.574 -0.061 -12.031 1.00 93.56 C +ATOM 694 N MET A 86 -3.215 -4.105 -7.727 1.00 96.31 N +ATOM 695 CA MET A 86 -1.912 -4.516 -7.211 1.00 96.31 C +ATOM 696 C MET A 86 -1.565 -5.930 -7.672 1.00 96.31 C +ATOM 697 CB MET A 86 -1.887 -4.441 -5.684 1.00 96.31 C +ATOM 698 O MET A 86 -0.451 -6.180 -8.133 1.00 96.31 O +ATOM 699 CG MET A 86 -1.927 -3.023 -5.141 1.00 96.31 C +ATOM 700 SD MET A 86 -1.905 -2.975 -3.305 1.00 96.31 S +ATOM 701 CE MET A 86 -0.239 -3.619 -2.986 1.00 96.31 C +ATOM 702 N VAL A 87 -2.559 -6.727 -7.574 1.00 97.69 N +ATOM 703 CA VAL A 87 -2.336 -8.141 -7.848 1.00 97.69 C +ATOM 704 C VAL A 87 -2.027 -8.344 -9.328 1.00 97.69 C +ATOM 705 CB VAL A 87 -3.555 -9.000 -7.438 1.00 97.69 C +ATOM 706 O VAL A 87 -1.023 -8.969 -9.680 1.00 97.69 O +ATOM 707 CG1 VAL A 87 -3.398 -10.438 -7.934 1.00 97.69 C +ATOM 708 CG2 VAL A 87 -3.738 -8.977 -5.922 1.00 97.69 C +ATOM 709 N ILE A 88 -2.777 -7.719 -10.188 1.00 96.12 N +ATOM 710 CA ILE A 88 -2.686 -7.961 -11.625 1.00 96.12 C +ATOM 711 C ILE A 88 -1.503 -7.184 -12.203 1.00 96.12 C +ATOM 712 CB ILE A 88 -3.990 -7.566 -12.352 1.00 96.12 C +ATOM 713 O ILE A 88 -0.696 -7.738 -12.953 1.00 96.12 O +ATOM 714 CG1 ILE A 88 -5.145 -8.477 -11.906 1.00 96.12 C +ATOM 715 CG2 ILE A 88 -3.803 -7.621 -13.875 1.00 96.12 C +ATOM 716 CD1 ILE A 88 -6.516 -8.016 -12.383 1.00 96.12 C +ATOM 717 N GLY A 89 -1.399 -5.973 -11.797 1.00 93.12 N +ATOM 718 CA GLY A 89 -0.409 -5.102 -12.406 1.00 93.12 C +ATOM 719 C GLY A 89 0.911 -5.078 -11.656 1.00 93.12 C +ATOM 720 O GLY A 89 1.969 -4.891 -12.266 1.00 93.12 O +ATOM 721 N GLY A 90 0.910 -5.297 -10.359 1.00 95.44 N +ATOM 722 CA GLY A 90 2.100 -5.180 -9.531 1.00 95.44 C +ATOM 723 C GLY A 90 2.742 -6.516 -9.211 1.00 95.44 C +ATOM 724 O GLY A 90 3.832 -6.816 -9.703 1.00 95.44 O +ATOM 725 N PHE A 91 1.954 -7.445 -8.609 1.00 97.81 N +ATOM 726 CA PHE A 91 2.482 -8.703 -8.086 1.00 97.81 C +ATOM 727 C PHE A 91 2.896 -9.625 -9.227 1.00 97.81 C +ATOM 728 CB PHE A 91 1.444 -9.391 -7.199 1.00 97.81 C +ATOM 729 O PHE A 91 3.955 -10.258 -9.164 1.00 97.81 O +ATOM 730 CG PHE A 91 1.024 -8.578 -6.008 1.00 97.81 C +ATOM 731 CD1 PHE A 91 1.745 -7.449 -5.629 1.00 97.81 C +ATOM 732 CD2 PHE A 91 -0.093 -8.938 -5.266 1.00 97.81 C +ATOM 733 CE1 PHE A 91 1.358 -6.691 -4.527 1.00 97.81 C +ATOM 734 CE2 PHE A 91 -0.486 -8.180 -4.160 1.00 97.81 C +ATOM 735 CZ PHE A 91 0.242 -7.062 -3.795 1.00 97.81 C +ATOM 736 N THR A 92 2.086 -9.680 -10.266 1.00 98.00 N +ATOM 737 CA THR A 92 2.383 -10.570 -11.383 1.00 98.00 C +ATOM 738 C THR A 92 3.691 -10.172 -12.062 1.00 98.00 C +ATOM 739 CB THR A 92 1.243 -10.562 -12.422 1.00 98.00 C +ATOM 740 O THR A 92 4.512 -11.031 -12.391 1.00 98.00 O +ATOM 741 CG2 THR A 92 -0.039 -11.141 -11.828 1.00 98.00 C +ATOM 742 OG1 THR A 92 0.996 -9.219 -12.844 1.00 98.00 O +ATOM 743 N THR A 93 3.873 -8.883 -12.211 1.00 97.88 N +ATOM 744 CA THR A 93 5.086 -8.375 -12.844 1.00 97.88 C +ATOM 745 C THR A 93 6.305 -8.656 -11.969 1.00 97.88 C +ATOM 746 CB THR A 93 4.984 -6.867 -13.125 1.00 97.88 C +ATOM 747 O THR A 93 7.352 -9.078 -12.469 1.00 97.88 O +ATOM 748 CG2 THR A 93 6.242 -6.348 -13.812 1.00 97.88 C +ATOM 749 OG1 THR A 93 3.855 -6.621 -13.977 1.00 97.88 O +ATOM 750 N THR A 94 6.145 -8.445 -10.695 1.00 97.88 N +ATOM 751 CA THR A 94 7.234 -8.688 -9.750 1.00 97.88 C +ATOM 752 C THR A 94 7.594 -10.172 -9.719 1.00 97.88 C +ATOM 753 CB THR A 94 6.867 -8.211 -8.336 1.00 97.88 C +ATOM 754 O THR A 94 8.773 -10.531 -9.672 1.00 97.88 O +ATOM 755 CG2 THR A 94 8.023 -8.438 -7.363 1.00 97.88 C +ATOM 756 OG1 THR A 94 6.559 -6.812 -8.375 1.00 97.88 O +ATOM 757 N MET A 95 6.602 -10.969 -9.727 1.00 98.25 N +ATOM 758 CA MET A 95 6.828 -12.414 -9.742 1.00 98.25 C +ATOM 759 C MET A 95 7.609 -12.828 -10.984 1.00 98.25 C +ATOM 760 CB MET A 95 5.496 -13.164 -9.688 1.00 98.25 C +ATOM 761 O MET A 95 8.594 -13.562 -10.883 1.00 98.25 O +ATOM 762 CG MET A 95 5.648 -14.680 -9.648 1.00 98.25 C +ATOM 763 SD MET A 95 4.031 -15.547 -9.711 1.00 98.25 S +ATOM 764 CE MET A 95 3.646 -15.391 -11.477 1.00 98.25 C +ATOM 765 N TYR A 96 7.117 -12.359 -12.039 1.00 98.38 N +ATOM 766 CA TYR A 96 7.754 -12.688 -13.312 1.00 98.38 C +ATOM 767 C TYR A 96 9.195 -12.203 -13.344 1.00 98.38 C +ATOM 768 CB TYR A 96 6.969 -12.078 -14.477 1.00 98.38 C +ATOM 769 O TYR A 96 10.094 -12.930 -13.766 1.00 98.38 O +ATOM 770 CG TYR A 96 7.535 -12.422 -15.836 1.00 98.38 C +ATOM 771 CD1 TYR A 96 8.117 -11.438 -16.641 1.00 98.38 C +ATOM 772 CD2 TYR A 96 7.488 -13.727 -16.312 1.00 98.38 C +ATOM 773 CE1 TYR A 96 8.641 -11.750 -17.891 1.00 98.38 C +ATOM 774 CE2 TYR A 96 8.008 -14.047 -17.562 1.00 98.38 C +ATOM 775 OH TYR A 96 9.094 -13.367 -19.578 1.00 98.38 O +ATOM 776 CZ TYR A 96 8.578 -13.055 -18.344 1.00 98.38 C +ATOM 777 N SER A 97 9.469 -11.031 -12.961 1.00 98.25 N +ATOM 778 CA SER A 97 10.805 -10.445 -12.914 1.00 98.25 C +ATOM 779 C SER A 97 11.711 -11.195 -11.945 1.00 98.25 C +ATOM 780 CB SER A 97 10.734 -8.969 -12.523 1.00 98.25 C +ATOM 781 O SER A 97 12.898 -11.375 -12.203 1.00 98.25 O +ATOM 782 OG SER A 97 10.070 -8.219 -13.523 1.00 98.25 O +ATOM 783 N SER A 98 11.141 -11.656 -10.859 1.00 97.69 N +ATOM 784 CA SER A 98 11.906 -12.406 -9.859 1.00 97.69 C +ATOM 785 C SER A 98 12.375 -13.742 -10.422 1.00 97.69 C +ATOM 786 CB SER A 98 11.062 -12.641 -8.609 1.00 97.69 C +ATOM 787 O SER A 98 13.461 -14.219 -10.078 1.00 97.69 O +ATOM 788 OG SER A 98 10.742 -11.406 -7.980 1.00 97.69 O +ATOM 789 N MET A 99 11.633 -14.328 -11.305 1.00 97.19 N +ATOM 790 CA MET A 99 11.984 -15.594 -11.945 1.00 97.19 C +ATOM 791 C MET A 99 13.188 -15.430 -12.867 1.00 97.19 C +ATOM 792 CB MET A 99 10.789 -16.141 -12.727 1.00 97.19 C +ATOM 793 O MET A 99 13.930 -16.391 -13.102 1.00 97.19 O +ATOM 794 CG MET A 99 9.633 -16.594 -11.852 1.00 97.19 C +ATOM 795 SD MET A 99 8.125 -16.984 -12.828 1.00 97.19 S +ATOM 796 CE MET A 99 8.719 -18.438 -13.750 1.00 97.19 C +ATOM 797 N HIS A 100 13.414 -14.219 -13.281 1.00 97.56 N +ATOM 798 CA HIS A 100 14.531 -13.938 -14.188 1.00 97.56 C +ATOM 799 C HIS A 100 15.711 -13.336 -13.438 1.00 97.56 C +ATOM 800 CB HIS A 100 14.086 -13.000 -15.312 1.00 97.56 C +ATOM 801 O HIS A 100 16.828 -13.289 -13.961 1.00 97.56 O +ATOM 802 CG HIS A 100 13.188 -13.656 -16.312 1.00 97.56 C +ATOM 803 CD2 HIS A 100 13.438 -14.094 -17.578 1.00 97.56 C +ATOM 804 ND1 HIS A 100 11.859 -13.914 -16.062 1.00 97.56 N +ATOM 805 CE1 HIS A 100 11.320 -14.484 -17.141 1.00 97.56 C +ATOM 806 NE2 HIS A 100 12.258 -14.609 -18.062 1.00 97.56 N +ATOM 807 N GLY A 101 15.469 -12.836 -12.211 1.00 96.94 N +ATOM 808 CA GLY A 101 16.516 -12.281 -11.367 1.00 96.94 C +ATOM 809 C GLY A 101 16.781 -10.812 -11.625 1.00 96.94 C +ATOM 810 O GLY A 101 17.750 -10.250 -11.117 1.00 96.94 O +ATOM 811 N TYR A 102 16.031 -10.141 -12.414 1.00 96.44 N +ATOM 812 CA TYR A 102 16.094 -8.719 -12.703 1.00 96.44 C +ATOM 813 C TYR A 102 14.773 -8.219 -13.266 1.00 96.44 C +ATOM 814 CB TYR A 102 17.234 -8.414 -13.688 1.00 96.44 C +ATOM 815 O TYR A 102 13.859 -9.008 -13.523 1.00 96.44 O +ATOM 816 CG TYR A 102 16.938 -8.875 -15.102 1.00 96.44 C +ATOM 817 CD1 TYR A 102 16.750 -10.219 -15.391 1.00 96.44 C +ATOM 818 CD2 TYR A 102 16.844 -7.953 -16.141 1.00 96.44 C +ATOM 819 CE1 TYR A 102 16.484 -10.648 -16.688 1.00 96.44 C +ATOM 820 CE2 TYR A 102 16.578 -8.367 -17.438 1.00 96.44 C +ATOM 821 OH TYR A 102 16.141 -10.125 -19.000 1.00 96.44 O +ATOM 822 CZ TYR A 102 16.406 -9.711 -17.703 1.00 96.44 C +ATOM 823 N PHE A 103 14.633 -6.887 -13.383 1.00 97.94 N +ATOM 824 CA PHE A 103 13.398 -6.367 -13.953 1.00 97.94 C +ATOM 825 C PHE A 103 13.414 -6.484 -15.469 1.00 97.94 C +ATOM 826 CB PHE A 103 13.188 -4.906 -13.539 1.00 97.94 C +ATOM 827 O PHE A 103 13.914 -5.598 -16.156 1.00 97.94 O +ATOM 828 CG PHE A 103 11.750 -4.465 -13.578 1.00 97.94 C +ATOM 829 CD1 PHE A 103 11.234 -3.828 -14.703 1.00 97.94 C +ATOM 830 CD2 PHE A 103 10.914 -4.688 -12.492 1.00 97.94 C +ATOM 831 CE1 PHE A 103 9.906 -3.420 -14.742 1.00 97.94 C +ATOM 832 CE2 PHE A 103 9.586 -4.281 -12.523 1.00 97.94 C +ATOM 833 CZ PHE A 103 9.078 -3.646 -13.648 1.00 97.94 C +ATOM 834 N VAL A 104 12.750 -7.418 -16.078 1.00 97.12 N +ATOM 835 CA VAL A 104 12.930 -7.910 -17.453 1.00 97.12 C +ATOM 836 C VAL A 104 12.047 -7.117 -18.406 1.00 97.12 C +ATOM 837 CB VAL A 104 12.609 -9.422 -17.547 1.00 97.12 C +ATOM 838 O VAL A 104 12.281 -7.113 -19.609 1.00 97.12 O +ATOM 839 CG1 VAL A 104 11.148 -9.688 -17.188 1.00 97.12 C +ATOM 840 CG2 VAL A 104 12.922 -9.930 -18.953 1.00 97.12 C +ATOM 841 N LEU A 105 11.141 -6.371 -17.859 1.00 97.62 N +ATOM 842 CA LEU A 105 10.125 -5.750 -18.703 1.00 97.62 C +ATOM 843 C LEU A 105 10.555 -4.352 -19.125 1.00 97.62 C +ATOM 844 CB LEU A 105 8.781 -5.684 -17.969 1.00 97.62 C +ATOM 845 O LEU A 105 9.805 -3.646 -19.797 1.00 97.62 O +ATOM 846 CG LEU A 105 8.117 -7.023 -17.641 1.00 97.62 C +ATOM 847 CD1 LEU A 105 6.844 -6.805 -16.844 1.00 97.62 C +ATOM 848 CD2 LEU A 105 7.816 -7.793 -18.938 1.00 97.62 C +ATOM 849 N GLY A 106 11.719 -3.971 -18.734 1.00 97.44 N +ATOM 850 CA GLY A 106 12.258 -2.689 -19.156 1.00 97.44 C +ATOM 851 C GLY A 106 11.609 -1.509 -18.453 1.00 97.44 C +ATOM 852 O GLY A 106 10.844 -1.686 -17.516 1.00 97.44 O +ATOM 853 N ARG A 107 11.820 -0.318 -18.969 1.00 96.62 N +ATOM 854 CA ARG A 107 11.391 0.934 -18.344 1.00 96.62 C +ATOM 855 C ARG A 107 9.867 1.068 -18.391 1.00 96.62 C +ATOM 856 CB ARG A 107 12.039 2.129 -19.047 1.00 96.62 C +ATOM 857 O ARG A 107 9.250 1.455 -17.406 1.00 96.62 O +ATOM 858 CG ARG A 107 11.727 3.469 -18.406 1.00 96.62 C +ATOM 859 CD ARG A 107 12.289 3.562 -17.000 1.00 96.62 C +ATOM 860 NE ARG A 107 11.922 4.816 -16.344 1.00 96.62 N +ATOM 861 NH1 ARG A 107 13.422 4.598 -14.602 1.00 96.62 N +ATOM 862 NH2 ARG A 107 12.062 6.438 -14.727 1.00 96.62 N +ATOM 863 CZ ARG A 107 12.469 5.281 -15.227 1.00 96.62 C +ATOM 864 N LEU A 108 9.375 0.761 -19.531 1.00 97.38 N +ATOM 865 CA LEU A 108 7.922 0.856 -19.625 1.00 97.38 C +ATOM 866 C LEU A 108 7.246 -0.078 -18.625 1.00 97.38 C +ATOM 867 CB LEU A 108 7.465 0.524 -21.047 1.00 97.38 C +ATOM 868 O LEU A 108 6.289 0.314 -17.953 1.00 97.38 O +ATOM 869 CG LEU A 108 5.953 0.552 -21.297 1.00 97.38 C +ATOM 870 CD1 LEU A 108 5.391 1.935 -20.984 1.00 97.38 C +ATOM 871 CD2 LEU A 108 5.641 0.154 -22.734 1.00 97.38 C +ATOM 872 N GLY A 109 7.754 -1.286 -18.562 1.00 98.12 N +ATOM 873 CA GLY A 109 7.227 -2.229 -17.594 1.00 98.12 C +ATOM 874 C GLY A 109 7.371 -1.748 -16.156 1.00 98.12 C +ATOM 875 O GLY A 109 6.469 -1.932 -15.344 1.00 98.12 O +ATOM 876 N CYS A 110 8.438 -1.130 -15.883 1.00 98.31 N +ATOM 877 CA CYS A 110 8.688 -0.582 -14.555 1.00 98.31 C +ATOM 878 C CYS A 110 7.695 0.522 -14.219 1.00 98.31 C +ATOM 879 CB CYS A 110 10.117 -0.041 -14.461 1.00 98.31 C +ATOM 880 O CYS A 110 7.137 0.550 -13.117 1.00 98.31 O +ATOM 881 SG CYS A 110 10.547 0.589 -12.820 1.00 98.31 S +ATOM 882 N ASN A 111 7.410 1.360 -15.117 1.00 98.38 N +ATOM 883 CA ASN A 111 6.441 2.430 -14.906 1.00 98.38 C +ATOM 884 C ASN A 111 5.043 1.877 -14.664 1.00 98.38 C +ATOM 885 CB ASN A 111 6.434 3.387 -16.094 1.00 98.38 C +ATOM 886 O ASN A 111 4.336 2.336 -13.758 1.00 98.38 O +ATOM 887 CG ASN A 111 7.637 4.309 -16.125 1.00 98.38 C +ATOM 888 ND2 ASN A 111 7.973 4.824 -17.297 1.00 98.38 N +ATOM 889 OD1 ASN A 111 8.266 4.551 -15.086 1.00 98.38 O +ATOM 890 N LEU A 112 4.703 0.867 -15.469 1.00 98.31 N +ATOM 891 CA LEU A 112 3.373 0.285 -15.352 1.00 98.31 C +ATOM 892 C LEU A 112 3.219 -0.457 -14.023 1.00 98.31 C +ATOM 893 CB LEU A 112 3.100 -0.668 -16.516 1.00 98.31 C +ATOM 894 O LEU A 112 2.195 -0.322 -13.352 1.00 98.31 O +ATOM 895 CG LEU A 112 2.916 -0.022 -17.891 1.00 98.31 C +ATOM 896 CD1 LEU A 112 2.807 -1.094 -18.969 1.00 98.31 C +ATOM 897 CD2 LEU A 112 1.686 0.878 -17.891 1.00 98.31 C +ATOM 898 N GLU A 113 4.305 -1.194 -13.758 1.00 98.06 N +ATOM 899 CA GLU A 113 4.270 -1.928 -12.492 1.00 98.06 C +ATOM 900 C GLU A 113 4.227 -0.975 -11.305 1.00 98.06 C +ATOM 901 CB GLU A 113 5.480 -2.857 -12.375 1.00 98.06 C +ATOM 902 O GLU A 113 3.404 -1.139 -10.398 1.00 98.06 O +ATOM 903 CG GLU A 113 5.438 -3.781 -11.172 1.00 98.06 C +ATOM 904 CD GLU A 113 5.988 -3.143 -9.906 1.00 98.06 C +ATOM 905 OE1 GLU A 113 5.637 -3.596 -8.797 1.00 98.06 O +ATOM 906 OE2 GLU A 113 6.781 -2.182 -10.031 1.00 98.06 O +ATOM 907 N GLY A 114 5.152 -0.020 -11.273 1.00 98.06 N +ATOM 908 CA GLY A 114 5.195 0.959 -10.203 1.00 98.06 C +ATOM 909 C GLY A 114 3.898 1.729 -10.039 1.00 98.06 C +ATOM 910 O GLY A 114 3.424 1.936 -8.922 1.00 98.06 O +ATOM 911 N PHE A 115 3.301 2.092 -11.133 1.00 98.38 N +ATOM 912 CA PHE A 115 2.035 2.814 -11.133 1.00 98.38 C +ATOM 913 C PHE A 115 0.920 1.962 -10.539 1.00 98.38 C +ATOM 914 CB PHE A 115 1.663 3.246 -12.555 1.00 98.38 C +ATOM 915 O PHE A 115 0.187 2.416 -9.656 1.00 98.38 O +ATOM 916 CG PHE A 115 0.284 3.836 -12.672 1.00 98.38 C +ATOM 917 CD1 PHE A 115 -0.799 3.043 -13.031 1.00 98.38 C +ATOM 918 CD2 PHE A 115 0.070 5.184 -12.422 1.00 98.38 C +ATOM 919 CE1 PHE A 115 -2.076 3.588 -13.141 1.00 98.38 C +ATOM 920 CE2 PHE A 115 -1.203 5.734 -12.523 1.00 98.38 C +ATOM 921 CZ PHE A 115 -2.275 4.938 -12.883 1.00 98.38 C +ATOM 922 N SER A 116 0.797 0.775 -11.039 1.00 97.56 N +ATOM 923 CA SER A 116 -0.281 -0.114 -10.617 1.00 97.56 C +ATOM 924 C SER A 116 -0.178 -0.442 -9.133 1.00 97.56 C +ATOM 925 CB SER A 116 -0.262 -1.405 -11.438 1.00 97.56 C +ATOM 926 O SER A 116 -1.178 -0.405 -8.414 1.00 97.56 O +ATOM 927 OG SER A 116 -0.520 -1.139 -12.805 1.00 97.56 O +ATOM 928 N ALA A 117 1.055 -0.747 -8.695 1.00 96.62 N +ATOM 929 CA ALA A 117 1.265 -1.110 -7.301 1.00 96.62 C +ATOM 930 C ALA A 117 1.001 0.077 -6.379 1.00 96.62 C +ATOM 931 CB ALA A 117 2.684 -1.635 -7.094 1.00 96.62 C +ATOM 932 O ALA A 117 0.320 -0.058 -5.359 1.00 96.62 O +ATOM 933 N THR A 118 1.463 1.198 -6.777 1.00 96.75 N +ATOM 934 CA THR A 118 1.311 2.398 -5.965 1.00 96.75 C +ATOM 935 C THR A 118 -0.143 2.863 -5.953 1.00 96.75 C +ATOM 936 CB THR A 118 2.213 3.537 -6.473 1.00 96.75 C +ATOM 937 O THR A 118 -0.671 3.240 -4.902 1.00 96.75 O +ATOM 938 CG2 THR A 118 2.127 4.758 -5.559 1.00 96.75 C +ATOM 939 OG1 THR A 118 3.570 3.082 -6.516 1.00 96.75 O +ATOM 940 N LEU A 119 -0.767 2.795 -7.102 1.00 97.81 N +ATOM 941 CA LEU A 119 -2.168 3.184 -7.203 1.00 97.81 C +ATOM 942 C LEU A 119 -3.037 2.332 -6.281 1.00 97.81 C +ATOM 943 CB LEU A 119 -2.658 3.055 -8.648 1.00 97.81 C +ATOM 944 O LEU A 119 -3.830 2.865 -5.500 1.00 97.81 O +ATOM 945 CG LEU A 119 -4.105 3.477 -8.914 1.00 97.81 C +ATOM 946 CD1 LEU A 119 -4.281 4.965 -8.641 1.00 97.81 C +ATOM 947 CD2 LEU A 119 -4.504 3.143 -10.344 1.00 97.81 C +ATOM 948 N GLY A 120 -2.857 1.039 -6.430 1.00 96.38 N +ATOM 949 CA GLY A 120 -3.607 0.138 -5.570 1.00 96.38 C +ATOM 950 C GLY A 120 -3.342 0.364 -4.094 1.00 96.38 C +ATOM 951 O GLY A 120 -4.273 0.392 -3.287 1.00 96.38 O +ATOM 952 N GLY A 121 -2.102 0.538 -3.766 1.00 94.75 N +ATOM 953 CA GLY A 121 -1.731 0.808 -2.387 1.00 94.75 C +ATOM 954 C GLY A 121 -2.332 2.092 -1.847 1.00 94.75 C +ATOM 955 O GLY A 121 -2.855 2.119 -0.731 1.00 94.75 O +ATOM 956 N MET A 122 -2.352 3.096 -2.639 1.00 95.88 N +ATOM 957 CA MET A 122 -2.840 4.402 -2.207 1.00 95.88 C +ATOM 958 C MET A 122 -4.359 4.406 -2.098 1.00 95.88 C +ATOM 959 CB MET A 122 -2.383 5.496 -3.174 1.00 95.88 C +ATOM 960 O MET A 122 -4.918 4.984 -1.163 1.00 95.88 O +ATOM 961 CG MET A 122 -0.896 5.797 -3.098 1.00 95.88 C +ATOM 962 SD MET A 122 -0.373 6.336 -1.423 1.00 95.88 S +ATOM 963 CE MET A 122 1.430 6.270 -1.612 1.00 95.88 C +ATOM 964 N ILE A 123 -5.012 3.787 -3.059 1.00 96.62 N +ATOM 965 CA ILE A 123 -6.465 3.682 -2.963 1.00 96.62 C +ATOM 966 C ILE A 123 -6.844 2.953 -1.676 1.00 96.62 C +ATOM 967 CB ILE A 123 -7.059 2.951 -4.188 1.00 96.62 C +ATOM 968 O ILE A 123 -7.758 3.377 -0.963 1.00 96.62 O +ATOM 969 CG1 ILE A 123 -6.871 3.795 -5.453 1.00 96.62 C +ATOM 970 CG2 ILE A 123 -8.539 2.629 -3.957 1.00 96.62 C +ATOM 971 CD1 ILE A 123 -7.270 3.078 -6.738 1.00 96.62 C +ATOM 972 N SER A 124 -6.129 1.897 -1.427 1.00 93.31 N +ATOM 973 CA SER A 124 -6.395 1.113 -0.225 1.00 93.31 C +ATOM 974 C SER A 124 -6.148 1.933 1.036 1.00 93.31 C +ATOM 975 CB SER A 124 -5.527 -0.146 -0.203 1.00 93.31 C +ATOM 976 O SER A 124 -6.969 1.927 1.957 1.00 93.31 O +ATOM 977 OG SER A 124 -5.781 -0.911 0.963 1.00 93.31 O +ATOM 978 N LEU A 125 -5.082 2.590 1.087 1.00 93.50 N +ATOM 979 CA LEU A 125 -4.691 3.406 2.230 1.00 93.50 C +ATOM 980 C LEU A 125 -5.730 4.484 2.510 1.00 93.50 C +ATOM 981 CB LEU A 125 -3.324 4.051 1.986 1.00 93.50 C +ATOM 982 O LEU A 125 -6.195 4.629 3.643 1.00 93.50 O +ATOM 983 CG LEU A 125 -2.707 4.801 3.168 1.00 93.50 C +ATOM 984 CD1 LEU A 125 -1.186 4.727 3.107 1.00 93.50 C +ATOM 985 CD2 LEU A 125 -3.176 6.250 3.182 1.00 93.50 C +ATOM 986 N TRP A 126 -6.141 5.203 1.552 1.00 95.81 N +ATOM 987 CA TRP A 126 -7.105 6.285 1.731 1.00 95.81 C +ATOM 988 C TRP A 126 -8.500 5.730 1.995 1.00 95.81 C +ATOM 989 CB TRP A 126 -7.125 7.195 0.501 1.00 95.81 C +ATOM 990 O TRP A 126 -9.320 6.379 2.650 1.00 95.81 O +ATOM 991 CG TRP A 126 -6.059 8.250 0.503 1.00 95.81 C +ATOM 992 CD1 TRP A 126 -4.910 8.258 -0.240 1.00 95.81 C +ATOM 993 CD2 TRP A 126 -6.039 9.438 1.292 1.00 95.81 C +ATOM 994 CE2 TRP A 126 -4.848 10.133 0.975 1.00 95.81 C +ATOM 995 CE3 TRP A 126 -6.910 9.992 2.236 1.00 95.81 C +ATOM 996 NE1 TRP A 126 -4.180 9.391 0.038 1.00 95.81 N +ATOM 997 CH2 TRP A 126 -5.379 11.867 2.490 1.00 95.81 C +ATOM 998 CZ2 TRP A 126 -4.508 11.352 1.570 1.00 95.81 C +ATOM 999 CZ3 TRP A 126 -6.574 11.211 2.828 1.00 95.81 C +ATOM 1000 N SER A 127 -8.742 4.547 1.472 1.00 94.12 N +ATOM 1001 CA SER A 127 -10.008 3.891 1.784 1.00 94.12 C +ATOM 1002 C SER A 127 -10.133 3.607 3.277 1.00 94.12 C +ATOM 1003 CB SER A 127 -10.148 2.588 0.995 1.00 94.12 C +ATOM 1004 O SER A 127 -11.203 3.771 3.859 1.00 94.12 O +ATOM 1005 OG SER A 127 -10.258 2.852 -0.393 1.00 94.12 O +ATOM 1006 N LEU A 128 -9.062 3.264 3.867 1.00 92.06 N +ATOM 1007 CA LEU A 128 -9.055 3.014 5.305 1.00 92.06 C +ATOM 1008 C LEU A 128 -9.289 4.305 6.082 1.00 92.06 C +ATOM 1009 CB LEU A 128 -7.730 2.379 5.734 1.00 92.06 C +ATOM 1010 O LEU A 128 -9.969 4.301 7.109 1.00 92.06 O +ATOM 1011 CG LEU A 128 -7.461 0.959 5.230 1.00 92.06 C +ATOM 1012 CD1 LEU A 128 -6.090 0.481 5.695 1.00 92.06 C +ATOM 1013 CD2 LEU A 128 -8.555 0.008 5.703 1.00 92.06 C +ATOM 1014 N ALA A 129 -8.750 5.352 5.586 1.00 94.81 N +ATOM 1015 CA ALA A 129 -8.969 6.656 6.207 1.00 94.81 C +ATOM 1016 C ALA A 129 -10.438 7.066 6.117 1.00 94.81 C +ATOM 1017 CB ALA A 129 -8.078 7.711 5.555 1.00 94.81 C +ATOM 1018 O ALA A 129 -11.023 7.516 7.105 1.00 94.81 O +ATOM 1019 N VAL A 130 -10.961 6.930 4.953 1.00 94.50 N +ATOM 1020 CA VAL A 130 -12.367 7.270 4.730 1.00 94.50 C +ATOM 1021 C VAL A 130 -13.258 6.395 5.609 1.00 94.50 C +ATOM 1022 CB VAL A 130 -12.758 7.113 3.246 1.00 94.50 C +ATOM 1023 O VAL A 130 -14.242 6.875 6.180 1.00 94.50 O +ATOM 1024 CG1 VAL A 130 -14.273 7.199 3.080 1.00 94.50 C +ATOM 1025 CG2 VAL A 130 -12.062 8.172 2.395 1.00 94.50 C +ATOM 1026 N LEU A 131 -12.898 5.203 5.727 1.00 91.62 N +ATOM 1027 CA LEU A 131 -13.633 4.285 6.586 1.00 91.62 C +ATOM 1028 C LEU A 131 -13.609 4.754 8.031 1.00 91.62 C +ATOM 1029 CB LEU A 131 -13.055 2.871 6.484 1.00 91.62 C +ATOM 1030 O LEU A 131 -14.633 4.703 8.727 1.00 91.62 O +ATOM 1031 CG LEU A 131 -13.781 1.780 7.270 1.00 91.62 C +ATOM 1032 CD1 LEU A 131 -15.219 1.643 6.777 1.00 91.62 C +ATOM 1033 CD2 LEU A 131 -13.047 0.452 7.156 1.00 91.62 C +ATOM 1034 N ALA A 132 -12.508 5.160 8.508 1.00 93.19 N +ATOM 1035 CA ALA A 132 -12.375 5.680 9.867 1.00 93.19 C +ATOM 1036 C ALA A 132 -13.281 6.891 10.086 1.00 93.19 C +ATOM 1037 CB ALA A 132 -10.922 6.043 10.164 1.00 93.19 C +ATOM 1038 O ALA A 132 -13.945 7.004 11.117 1.00 93.19 O +ATOM 1039 N ILE A 133 -13.320 7.754 9.125 1.00 93.19 N +ATOM 1040 CA ILE A 133 -14.156 8.945 9.188 1.00 93.19 C +ATOM 1041 C ILE A 133 -15.625 8.539 9.227 1.00 93.19 C +ATOM 1042 CB ILE A 133 -13.891 9.891 7.996 1.00 93.19 C +ATOM 1043 O ILE A 133 -16.406 9.055 10.039 1.00 93.19 O +ATOM 1044 CG1 ILE A 133 -12.492 10.516 8.109 1.00 93.19 C +ATOM 1045 CG2 ILE A 133 -14.969 10.977 7.906 1.00 93.19 C +ATOM 1046 CD1 ILE A 133 -12.039 11.250 6.859 1.00 93.19 C +ATOM 1047 N GLU A 134 -15.891 7.719 8.320 1.00 90.62 N +ATOM 1048 CA GLU A 134 -17.266 7.234 8.234 1.00 90.62 C +ATOM 1049 C GLU A 134 -17.734 6.672 9.578 1.00 90.62 C +ATOM 1050 CB GLU A 134 -17.391 6.172 7.145 1.00 90.62 C +ATOM 1051 O GLU A 134 -18.828 6.984 10.039 1.00 90.62 O +ATOM 1052 CG GLU A 134 -18.797 5.602 7.008 1.00 90.62 C +ATOM 1053 CD GLU A 134 -18.844 4.086 7.098 1.00 90.62 C +ATOM 1054 OE1 GLU A 134 -19.828 3.537 7.641 1.00 90.62 O +ATOM 1055 OE2 GLU A 134 -17.891 3.439 6.621 1.00 90.62 O +ATOM 1056 N ARG A 135 -17.031 5.828 10.188 1.00 90.25 N +ATOM 1057 CA ARG A 135 -17.391 5.191 11.453 1.00 90.25 C +ATOM 1058 C ARG A 135 -17.516 6.219 12.570 1.00 90.25 C +ATOM 1059 CB ARG A 135 -16.359 4.121 11.828 1.00 90.25 C +ATOM 1060 O ARG A 135 -18.422 6.129 13.406 1.00 90.25 O +ATOM 1061 CG ARG A 135 -16.484 2.836 11.023 1.00 90.25 C +ATOM 1062 CD ARG A 135 -15.617 1.728 11.602 1.00 90.25 C +ATOM 1063 NE ARG A 135 -15.883 0.446 10.953 1.00 90.25 N +ATOM 1064 NH1 ARG A 135 -14.555 -0.786 12.391 1.00 90.25 N +ATOM 1065 NH2 ARG A 135 -15.680 -1.826 10.680 1.00 90.25 N +ATOM 1066 CZ ARG A 135 -15.367 -0.719 11.344 1.00 90.25 C +ATOM 1067 N TRP A 136 -16.641 7.078 12.531 1.00 90.81 N +ATOM 1068 CA TRP A 136 -16.672 8.133 13.539 1.00 90.81 C +ATOM 1069 C TRP A 136 -17.922 8.992 13.398 1.00 90.81 C +ATOM 1070 CB TRP A 136 -15.414 9.008 13.438 1.00 90.81 C +ATOM 1071 O TRP A 136 -18.625 9.234 14.375 1.00 90.81 O +ATOM 1072 CG TRP A 136 -15.469 10.250 14.273 1.00 90.81 C +ATOM 1073 CD1 TRP A 136 -15.891 10.359 15.570 1.00 90.81 C +ATOM 1074 CD2 TRP A 136 -15.102 11.570 13.859 1.00 90.81 C +ATOM 1075 CE2 TRP A 136 -15.320 12.430 14.961 1.00 90.81 C +ATOM 1076 CE3 TRP A 136 -14.602 12.117 12.672 1.00 90.81 C +ATOM 1077 NE1 TRP A 136 -15.805 11.664 15.992 1.00 90.81 N +ATOM 1078 CH2 TRP A 136 -14.570 14.305 13.727 1.00 90.81 C +ATOM 1079 CZ2 TRP A 136 -15.055 13.805 14.906 1.00 90.81 C +ATOM 1080 CZ3 TRP A 136 -14.336 13.477 12.617 1.00 90.81 C +ATOM 1081 N VAL A 137 -18.250 9.453 12.227 1.00 89.19 N +ATOM 1082 CA VAL A 137 -19.375 10.344 11.961 1.00 89.19 C +ATOM 1083 C VAL A 137 -20.688 9.625 12.273 1.00 89.19 C +ATOM 1084 CB VAL A 137 -19.375 10.828 10.492 1.00 89.19 C +ATOM 1085 O VAL A 137 -21.594 10.203 12.883 1.00 89.19 O +ATOM 1086 CG1 VAL A 137 -20.703 11.500 10.148 1.00 89.19 C +ATOM 1087 CG2 VAL A 137 -18.219 11.781 10.250 1.00 89.19 C +ATOM 1088 N VAL A 138 -20.781 8.367 11.906 1.00 86.75 N +ATOM 1089 CA VAL A 138 -22.016 7.598 12.055 1.00 86.75 C +ATOM 1090 C VAL A 138 -22.266 7.301 13.531 1.00 86.75 C +ATOM 1091 CB VAL A 138 -21.953 6.281 11.250 1.00 86.75 C +ATOM 1092 O VAL A 138 -23.391 7.398 14.008 1.00 86.75 O +ATOM 1093 CG1 VAL A 138 -23.125 5.367 11.633 1.00 86.75 C +ATOM 1094 CG2 VAL A 138 -21.984 6.574 9.750 1.00 86.75 C +ATOM 1095 N VAL A 139 -21.234 7.062 14.281 1.00 84.81 N +ATOM 1096 CA VAL A 139 -21.406 6.617 15.664 1.00 84.81 C +ATOM 1097 C VAL A 139 -21.359 7.820 16.594 1.00 84.81 C +ATOM 1098 CB VAL A 139 -20.312 5.590 16.062 1.00 84.81 C +ATOM 1099 O VAL A 139 -22.156 7.906 17.547 1.00 84.81 O +ATOM 1100 CG1 VAL A 139 -20.438 5.227 17.547 1.00 84.81 C +ATOM 1101 CG2 VAL A 139 -20.422 4.340 15.195 1.00 84.81 C +ATOM 1102 N CYS A 140 -20.469 8.688 16.422 1.00 85.12 N +ATOM 1103 CA CYS A 140 -20.188 9.727 17.406 1.00 85.12 C +ATOM 1104 C CYS A 140 -21.016 10.977 17.109 1.00 85.12 C +ATOM 1105 CB CYS A 140 -18.703 10.078 17.422 1.00 85.12 C +ATOM 1106 O CYS A 140 -21.219 11.812 18.000 1.00 85.12 O +ATOM 1107 SG CYS A 140 -17.641 8.719 17.984 1.00 85.12 S +ATOM 1108 N LYS A 141 -21.547 11.125 15.969 1.00 75.62 N +ATOM 1109 CA LYS A 141 -22.297 12.336 15.656 1.00 75.62 C +ATOM 1110 C LYS A 141 -23.688 11.992 15.117 1.00 75.62 C +ATOM 1111 CB LYS A 141 -21.547 13.188 14.641 1.00 75.62 C +ATOM 1112 O LYS A 141 -23.984 12.203 13.938 1.00 75.62 O +ATOM 1113 CG LYS A 141 -20.297 13.859 15.195 1.00 75.62 C +ATOM 1114 CD LYS A 141 -19.859 15.031 14.328 1.00 75.62 C +ATOM 1115 CE LYS A 141 -18.656 15.758 14.938 1.00 75.62 C +ATOM 1116 NZ LYS A 141 -18.297 16.969 14.148 1.00 75.62 N +ATOM 1117 N PRO A 142 -24.469 11.367 15.969 1.00 67.25 N +ATOM 1118 CA PRO A 142 -25.766 11.094 15.367 1.00 67.25 C +ATOM 1119 C PRO A 142 -26.672 12.328 15.344 1.00 67.25 C +ATOM 1120 CB PRO A 142 -26.359 10.000 16.266 1.00 67.25 C +ATOM 1121 O PRO A 142 -26.906 12.945 16.391 1.00 67.25 O +ATOM 1122 CG PRO A 142 -25.562 10.078 17.531 1.00 67.25 C +ATOM 1123 CD PRO A 142 -24.281 10.828 17.250 1.00 67.25 C +ATOM 1124 N THR A 143 -26.406 13.398 14.586 1.00 64.75 N +ATOM 1125 CA THR A 143 -27.406 14.453 14.508 1.00 64.75 C +ATOM 1126 C THR A 143 -28.781 13.875 14.195 1.00 64.75 C +ATOM 1127 CB THR A 143 -27.031 15.500 13.438 1.00 64.75 C +ATOM 1128 O THR A 143 -28.891 12.836 13.547 1.00 64.75 O +ATOM 1129 CG2 THR A 143 -25.797 16.297 13.859 1.00 64.75 C +ATOM 1130 OG1 THR A 143 -26.750 14.828 12.203 1.00 64.75 O +ATOM 1131 N SER A 144 -29.828 14.062 14.930 1.00 66.50 N +ATOM 1132 CA SER A 144 -31.188 13.555 14.797 1.00 66.50 C +ATOM 1133 C SER A 144 -31.594 13.438 13.328 1.00 66.50 C +ATOM 1134 CB SER A 144 -32.188 14.469 15.523 1.00 66.50 C +ATOM 1135 O SER A 144 -32.250 12.477 12.938 1.00 66.50 O +ATOM 1136 OG SER A 144 -32.656 15.469 14.656 1.00 66.50 O +ATOM 1137 N ASN A 145 -30.766 14.023 12.336 1.00 70.75 N +ATOM 1138 CA ASN A 145 -31.203 13.930 10.945 1.00 70.75 C +ATOM 1139 C ASN A 145 -30.062 13.445 10.039 1.00 70.75 C +ATOM 1140 CB ASN A 145 -31.734 15.273 10.453 1.00 70.75 C +ATOM 1141 O ASN A 145 -30.250 13.312 8.828 1.00 70.75 O +ATOM 1142 CG ASN A 145 -33.125 15.578 10.992 1.00 70.75 C +ATOM 1143 ND2 ASN A 145 -33.469 16.859 11.016 1.00 70.75 N +ATOM 1144 OD1 ASN A 145 -33.875 14.680 11.383 1.00 70.75 O +ATOM 1145 N PHE A 146 -28.875 13.133 10.555 1.00 79.25 N +ATOM 1146 CA PHE A 146 -27.797 12.750 9.648 1.00 79.25 C +ATOM 1147 C PHE A 146 -27.781 11.234 9.445 1.00 79.25 C +ATOM 1148 CB PHE A 146 -26.438 13.219 10.180 1.00 79.25 C +ATOM 1149 O PHE A 146 -27.766 10.477 10.414 1.00 79.25 O +ATOM 1150 CG PHE A 146 -25.281 12.797 9.336 1.00 79.25 C +ATOM 1151 CD1 PHE A 146 -24.484 11.711 9.711 1.00 79.25 C +ATOM 1152 CD2 PHE A 146 -24.953 13.477 8.172 1.00 79.25 C +ATOM 1153 CE1 PHE A 146 -23.406 11.312 8.930 1.00 79.25 C +ATOM 1154 CE2 PHE A 146 -23.875 13.086 7.387 1.00 79.25 C +ATOM 1155 CZ PHE A 146 -23.094 12.008 7.770 1.00 79.25 C +ATOM 1156 N ARG A 147 -27.859 10.891 8.203 1.00 79.94 N +ATOM 1157 CA ARG A 147 -27.672 9.500 7.785 1.00 79.94 C +ATOM 1158 C ARG A 147 -26.609 9.391 6.707 1.00 79.94 C +ATOM 1159 CB ARG A 147 -28.984 8.914 7.277 1.00 79.94 C +ATOM 1160 O ARG A 147 -26.609 10.148 5.734 1.00 79.94 O +ATOM 1161 CG ARG A 147 -28.953 7.410 7.047 1.00 79.94 C +ATOM 1162 CD ARG A 147 -30.297 6.863 6.633 1.00 79.94 C +ATOM 1163 NE ARG A 147 -30.234 5.441 6.293 1.00 79.94 N +ATOM 1164 NH1 ARG A 147 -32.469 5.246 5.750 1.00 79.94 N +ATOM 1165 NH2 ARG A 147 -31.078 3.426 5.605 1.00 79.94 N +ATOM 1166 CZ ARG A 147 -31.266 4.707 5.883 1.00 79.94 C +ATOM 1167 N PHE A 148 -25.641 8.609 6.996 1.00 84.25 N +ATOM 1168 CA PHE A 148 -24.656 8.328 5.953 1.00 84.25 C +ATOM 1169 C PHE A 148 -25.312 7.621 4.773 1.00 84.25 C +ATOM 1170 CB PHE A 148 -23.516 7.477 6.508 1.00 84.25 C +ATOM 1171 O PHE A 148 -25.734 6.469 4.891 1.00 84.25 O +ATOM 1172 CG PHE A 148 -22.297 7.445 5.625 1.00 84.25 C +ATOM 1173 CD1 PHE A 148 -22.156 6.480 4.633 1.00 84.25 C +ATOM 1174 CD2 PHE A 148 -21.281 8.383 5.781 1.00 84.25 C +ATOM 1175 CE1 PHE A 148 -21.031 6.449 3.812 1.00 84.25 C +ATOM 1176 CE2 PHE A 148 -20.156 8.359 4.965 1.00 84.25 C +ATOM 1177 CZ PHE A 148 -20.031 7.391 3.982 1.00 84.25 C +ATOM 1178 N GLY A 149 -25.281 8.367 3.721 1.00 90.19 N +ATOM 1179 CA GLY A 149 -25.953 7.805 2.562 1.00 90.19 C +ATOM 1180 C GLY A 149 -25.031 7.555 1.392 1.00 90.19 C +ATOM 1181 O GLY A 149 -23.797 7.594 1.544 1.00 90.19 O +ATOM 1182 N GLU A 150 -25.578 7.328 0.189 1.00 90.00 N +ATOM 1183 CA GLU A 150 -24.875 6.945 -1.028 1.00 90.00 C +ATOM 1184 C GLU A 150 -23.969 8.078 -1.521 1.00 90.00 C +ATOM 1185 CB GLU A 150 -25.859 6.543 -2.125 1.00 90.00 C +ATOM 1186 O GLU A 150 -22.844 7.840 -1.973 1.00 90.00 O +ATOM 1187 CG GLU A 150 -26.500 5.180 -1.907 1.00 90.00 C +ATOM 1188 CD GLU A 150 -27.422 4.758 -3.039 1.00 90.00 C +ATOM 1189 OE1 GLU A 150 -28.000 3.654 -2.971 1.00 90.00 O +ATOM 1190 OE2 GLU A 150 -27.562 5.543 -4.004 1.00 90.00 O +ATOM 1191 N ASN A 151 -24.469 9.266 -1.412 1.00 91.81 N +ATOM 1192 CA ASN A 151 -23.688 10.406 -1.886 1.00 91.81 C +ATOM 1193 C ASN A 151 -22.391 10.562 -1.095 1.00 91.81 C +ATOM 1194 CB ASN A 151 -24.516 11.688 -1.815 1.00 91.81 C +ATOM 1195 O ASN A 151 -21.344 10.875 -1.666 1.00 91.81 O +ATOM 1196 CG ASN A 151 -25.641 11.719 -2.842 1.00 91.81 C +ATOM 1197 ND2 ASN A 151 -26.688 12.477 -2.551 1.00 91.81 N +ATOM 1198 OD1 ASN A 151 -25.547 11.070 -3.889 1.00 91.81 O +ATOM 1199 N HIS A 152 -22.562 10.328 0.188 1.00 91.75 N +ATOM 1200 CA HIS A 152 -21.391 10.422 1.038 1.00 91.75 C +ATOM 1201 C HIS A 152 -20.375 9.320 0.711 1.00 91.75 C +ATOM 1202 CB HIS A 152 -21.781 10.352 2.514 1.00 91.75 C +ATOM 1203 O HIS A 152 -19.172 9.570 0.669 1.00 91.75 O +ATOM 1204 CG HIS A 152 -22.672 11.469 2.951 1.00 91.75 C +ATOM 1205 CD2 HIS A 152 -22.391 12.727 3.361 1.00 91.75 C +ATOM 1206 ND1 HIS A 152 -24.047 11.344 3.004 1.00 91.75 N +ATOM 1207 CE1 HIS A 152 -24.562 12.484 3.426 1.00 91.75 C +ATOM 1208 NE2 HIS A 152 -23.578 13.336 3.650 1.00 91.75 N +ATOM 1209 N ALA A 153 -20.859 8.164 0.488 1.00 91.81 N +ATOM 1210 CA ALA A 153 -20.000 7.039 0.120 1.00 91.81 C +ATOM 1211 C ALA A 153 -19.297 7.301 -1.205 1.00 91.81 C +ATOM 1212 CB ALA A 153 -20.812 5.750 0.038 1.00 91.81 C +ATOM 1213 O ALA A 153 -18.094 7.062 -1.331 1.00 91.81 O +ATOM 1214 N ILE A 154 -19.969 7.820 -2.154 1.00 92.94 N +ATOM 1215 CA ILE A 154 -19.406 8.117 -3.465 1.00 92.94 C +ATOM 1216 C ILE A 154 -18.344 9.211 -3.336 1.00 92.94 C +ATOM 1217 CB ILE A 154 -20.516 8.555 -4.465 1.00 92.94 C +ATOM 1218 O ILE A 154 -17.297 9.133 -3.973 1.00 92.94 O +ATOM 1219 CG1 ILE A 154 -21.438 7.379 -4.793 1.00 92.94 C +ATOM 1220 CG2 ILE A 154 -19.875 9.133 -5.738 1.00 92.94 C +ATOM 1221 CD1 ILE A 154 -22.672 7.770 -5.578 1.00 92.94 C +ATOM 1222 N MET A 155 -18.672 10.133 -2.520 1.00 94.25 N +ATOM 1223 CA MET A 155 -17.703 11.188 -2.252 1.00 94.25 C +ATOM 1224 C MET A 155 -16.422 10.602 -1.669 1.00 94.25 C +ATOM 1225 CB MET A 155 -18.281 12.227 -1.297 1.00 94.25 C +ATOM 1226 O MET A 155 -15.312 10.984 -2.070 1.00 94.25 O +ATOM 1227 CG MET A 155 -19.297 13.148 -1.943 1.00 94.25 C +ATOM 1228 SD MET A 155 -20.109 14.258 -0.729 1.00 94.25 S +ATOM 1229 CE MET A 155 -18.672 15.148 -0.086 1.00 94.25 C +ATOM 1230 N GLY A 156 -16.625 9.711 -0.721 1.00 95.06 N +ATOM 1231 CA GLY A 156 -15.477 9.047 -0.120 1.00 95.06 C +ATOM 1232 C GLY A 156 -14.656 8.258 -1.119 1.00 95.06 C +ATOM 1233 O GLY A 156 -13.422 8.359 -1.139 1.00 95.06 O +ATOM 1234 N VAL A 157 -15.281 7.531 -1.958 1.00 95.81 N +ATOM 1235 CA VAL A 157 -14.609 6.727 -2.973 1.00 95.81 C +ATOM 1236 C VAL A 157 -13.898 7.641 -3.969 1.00 95.81 C +ATOM 1237 CB VAL A 157 -15.602 5.801 -3.715 1.00 95.81 C +ATOM 1238 O VAL A 157 -12.750 7.379 -4.348 1.00 95.81 O +ATOM 1239 CG1 VAL A 157 -14.938 5.152 -4.926 1.00 95.81 C +ATOM 1240 CG2 VAL A 157 -16.141 4.734 -2.766 1.00 95.81 C +ATOM 1241 N SER A 158 -14.586 8.664 -4.344 1.00 96.50 N +ATOM 1242 CA SER A 158 -13.992 9.617 -5.273 1.00 96.50 C +ATOM 1243 C SER A 158 -12.734 10.250 -4.684 1.00 96.50 C +ATOM 1244 CB SER A 158 -15.000 10.711 -5.633 1.00 96.50 C +ATOM 1245 O SER A 158 -11.742 10.430 -5.391 1.00 96.50 O +ATOM 1246 OG SER A 158 -16.141 10.156 -6.273 1.00 96.50 O +ATOM 1247 N LEU A 159 -12.797 10.531 -3.455 1.00 97.00 N +ATOM 1248 CA LEU A 159 -11.656 11.125 -2.775 1.00 97.00 C +ATOM 1249 C LEU A 159 -10.461 10.180 -2.787 1.00 97.00 C +ATOM 1250 CB LEU A 159 -12.023 11.492 -1.334 1.00 97.00 C +ATOM 1251 O LEU A 159 -9.328 10.602 -3.049 1.00 97.00 O +ATOM 1252 CG LEU A 159 -10.883 12.031 -0.463 1.00 97.00 C +ATOM 1253 CD1 LEU A 159 -10.414 13.383 -0.975 1.00 97.00 C +ATOM 1254 CD2 LEU A 159 -11.320 12.125 0.994 1.00 97.00 C +ATOM 1255 N THR A 160 -10.750 8.930 -2.557 1.00 97.75 N +ATOM 1256 CA THR A 160 -9.656 7.961 -2.521 1.00 97.75 C +ATOM 1257 C THR A 160 -8.961 7.883 -3.875 1.00 97.75 C +ATOM 1258 CB THR A 160 -10.172 6.562 -2.125 1.00 97.75 C +ATOM 1259 O THR A 160 -7.730 7.824 -3.941 1.00 97.75 O +ATOM 1260 CG2 THR A 160 -10.867 6.594 -0.768 1.00 97.75 C +ATOM 1261 OG1 THR A 160 -11.102 6.102 -3.113 1.00 97.75 O +ATOM 1262 N TRP A 161 -9.656 7.922 -4.906 1.00 98.25 N +ATOM 1263 CA TRP A 161 -9.102 7.852 -6.254 1.00 98.25 C +ATOM 1264 C TRP A 161 -8.336 9.125 -6.598 1.00 98.25 C +ATOM 1265 CB TRP A 161 -10.211 7.609 -7.285 1.00 98.25 C +ATOM 1266 O TRP A 161 -7.230 9.062 -7.148 1.00 98.25 O +ATOM 1267 CG TRP A 161 -10.641 6.180 -7.387 1.00 98.25 C +ATOM 1268 CD1 TRP A 161 -11.641 5.570 -6.676 1.00 98.25 C +ATOM 1269 CD2 TRP A 161 -10.094 5.180 -8.250 1.00 98.25 C +ATOM 1270 CE2 TRP A 161 -10.805 3.984 -8.016 1.00 98.25 C +ATOM 1271 CE3 TRP A 161 -9.070 5.180 -9.211 1.00 98.25 C +ATOM 1272 NE1 TRP A 161 -11.742 4.250 -7.047 1.00 98.25 N +ATOM 1273 CH2 TRP A 161 -9.523 2.826 -9.625 1.00 98.25 C +ATOM 1274 CZ2 TRP A 161 -10.523 2.799 -8.695 1.00 98.25 C +ATOM 1275 CZ3 TRP A 161 -8.797 4.000 -9.891 1.00 98.25 C +ATOM 1276 N THR A 162 -8.945 10.188 -6.258 1.00 98.44 N +ATOM 1277 CA THR A 162 -8.297 11.461 -6.547 1.00 98.44 C +ATOM 1278 C THR A 162 -6.953 11.555 -5.824 1.00 98.44 C +ATOM 1279 CB THR A 162 -9.188 12.648 -6.145 1.00 98.44 C +ATOM 1280 O THR A 162 -5.941 11.914 -6.430 1.00 98.44 O +ATOM 1281 CG2 THR A 162 -8.484 13.977 -6.406 1.00 98.44 C +ATOM 1282 OG1 THR A 162 -10.398 12.609 -6.902 1.00 98.44 O +ATOM 1283 N MET A 163 -6.969 11.219 -4.582 1.00 98.25 N +ATOM 1284 CA MET A 163 -5.746 11.289 -3.787 1.00 98.25 C +ATOM 1285 C MET A 163 -4.719 10.281 -4.285 1.00 98.25 C +ATOM 1286 CB MET A 163 -6.051 11.039 -2.311 1.00 98.25 C +ATOM 1287 O MET A 163 -3.521 10.570 -4.324 1.00 98.25 O +ATOM 1288 CG MET A 163 -6.867 12.141 -1.658 1.00 98.25 C +ATOM 1289 SD MET A 163 -6.086 13.797 -1.832 1.00 98.25 S +ATOM 1290 CE MET A 163 -4.664 13.594 -0.727 1.00 98.25 C +ATOM 1291 N ALA A 164 -5.180 9.109 -4.676 1.00 98.31 N +ATOM 1292 CA ALA A 164 -4.285 8.078 -5.199 1.00 98.31 C +ATOM 1293 C ALA A 164 -3.646 8.531 -6.512 1.00 98.31 C +ATOM 1294 CB ALA A 164 -5.039 6.766 -5.402 1.00 98.31 C +ATOM 1295 O ALA A 164 -2.434 8.398 -6.699 1.00 98.31 O +ATOM 1296 N LEU A 165 -4.410 9.109 -7.344 1.00 98.50 N +ATOM 1297 CA LEU A 165 -3.900 9.562 -8.633 1.00 98.50 C +ATOM 1298 C LEU A 165 -2.965 10.758 -8.461 1.00 98.50 C +ATOM 1299 CB LEU A 165 -5.059 9.938 -9.562 1.00 98.50 C +ATOM 1300 O LEU A 165 -2.031 10.938 -9.250 1.00 98.50 O +ATOM 1301 CG LEU A 165 -5.867 8.773 -10.141 1.00 98.50 C +ATOM 1302 CD1 LEU A 165 -7.152 9.289 -10.781 1.00 98.50 C +ATOM 1303 CD2 LEU A 165 -5.035 8.000 -11.156 1.00 98.50 C +ATOM 1304 N ALA A 166 -3.238 11.586 -7.496 1.00 98.00 N +ATOM 1305 CA ALA A 166 -2.404 12.750 -7.203 1.00 98.00 C +ATOM 1306 C ALA A 166 -1.004 12.320 -6.770 1.00 98.00 C +ATOM 1307 CB ALA A 166 -3.053 13.609 -6.125 1.00 98.00 C +ATOM 1308 O ALA A 166 -0.060 13.109 -6.836 1.00 98.00 O +ATOM 1309 N CYS A 167 -0.904 11.078 -6.453 1.00 95.62 N +ATOM 1310 CA CYS A 167 0.379 10.555 -6.000 1.00 95.62 C +ATOM 1311 C CYS A 167 1.026 9.695 -7.082 1.00 95.62 C +ATOM 1312 CB CYS A 167 0.201 9.734 -4.723 1.00 95.62 C +ATOM 1313 O CYS A 167 2.248 9.711 -7.242 1.00 95.62 O +ATOM 1314 SG CYS A 167 1.673 8.805 -4.246 1.00 95.62 S +ATOM 1315 N THR A 168 0.257 8.953 -7.848 1.00 98.25 N +ATOM 1316 CA THR A 168 0.805 7.898 -8.695 1.00 98.25 C +ATOM 1317 C THR A 168 1.130 8.438 -10.086 1.00 98.25 C +ATOM 1318 CB THR A 168 -0.172 6.715 -8.820 1.00 98.25 C +ATOM 1319 O THR A 168 2.049 7.953 -10.742 1.00 98.25 O +ATOM 1320 CG2 THR A 168 -0.376 6.027 -7.473 1.00 98.25 C +ATOM 1321 OG1 THR A 168 -1.437 7.191 -9.289 1.00 98.25 O +ATOM 1322 N VAL A 169 0.453 9.516 -10.516 1.00 98.56 N +ATOM 1323 CA VAL A 169 0.601 10.031 -11.867 1.00 98.56 C +ATOM 1324 C VAL A 169 1.845 10.914 -11.953 1.00 98.56 C +ATOM 1325 CB VAL A 169 -0.647 10.828 -12.312 1.00 98.56 C +ATOM 1326 O VAL A 169 2.600 10.844 -12.922 1.00 98.56 O +ATOM 1327 CG1 VAL A 169 -0.355 11.641 -13.570 1.00 98.56 C +ATOM 1328 CG2 VAL A 169 -1.829 9.891 -12.531 1.00 98.56 C +ATOM 1329 N PRO A 170 2.117 11.680 -10.984 1.00 98.31 N +ATOM 1330 CA PRO A 170 3.229 12.633 -11.062 1.00 98.31 C +ATOM 1331 C PRO A 170 4.547 11.969 -11.453 1.00 98.31 C +ATOM 1332 CB PRO A 170 3.301 13.203 -9.648 1.00 98.31 C +ATOM 1333 O PRO A 170 5.281 12.492 -12.297 1.00 98.31 O +ATOM 1334 CG PRO A 170 1.884 13.227 -9.172 1.00 98.31 C +ATOM 1335 CD PRO A 170 1.197 11.984 -9.656 1.00 98.31 C +ATOM 1336 N PRO A 171 5.004 10.883 -10.922 1.00 98.06 N +ATOM 1337 CA PRO A 171 6.266 10.273 -11.344 1.00 98.06 C +ATOM 1338 C PRO A 171 6.277 9.922 -12.828 1.00 98.06 C +ATOM 1339 CB PRO A 171 6.355 9.016 -10.484 1.00 98.06 C +ATOM 1340 O PRO A 171 7.348 9.797 -13.430 1.00 98.06 O +ATOM 1341 CG PRO A 171 5.602 9.352 -9.234 1.00 98.06 C +ATOM 1342 CD PRO A 171 4.414 10.188 -9.609 1.00 98.06 C +ATOM 1343 N LEU A 172 5.121 9.812 -13.422 1.00 97.75 N +ATOM 1344 CA LEU A 172 5.020 9.484 -14.836 1.00 97.75 C +ATOM 1345 C LEU A 172 5.250 10.711 -15.703 1.00 97.75 C +ATOM 1346 CB LEU A 172 3.650 8.875 -15.148 1.00 97.75 C +ATOM 1347 O LEU A 172 5.594 10.594 -16.875 1.00 97.75 O +ATOM 1348 CG LEU A 172 3.330 7.539 -14.469 1.00 97.75 C +ATOM 1349 CD1 LEU A 172 1.897 7.117 -14.773 1.00 97.75 C +ATOM 1350 CD2 LEU A 172 4.316 6.465 -14.906 1.00 97.75 C +ATOM 1351 N VAL A 173 5.039 11.852 -15.078 1.00 96.62 N +ATOM 1352 CA VAL A 173 5.082 13.047 -15.914 1.00 96.62 C +ATOM 1353 C VAL A 173 6.227 13.953 -15.477 1.00 96.62 C +ATOM 1354 CB VAL A 173 3.744 13.812 -15.875 1.00 96.62 C +ATOM 1355 O VAL A 173 6.230 15.148 -15.773 1.00 96.62 O +ATOM 1356 CG1 VAL A 173 2.627 12.992 -16.516 1.00 96.62 C +ATOM 1357 CG2 VAL A 173 3.385 14.180 -14.438 1.00 96.62 C +ATOM 1358 N GLY A 174 7.109 13.461 -14.555 1.00 94.44 N +ATOM 1359 CA GLY A 174 8.375 14.148 -14.352 1.00 94.44 C +ATOM 1360 C GLY A 174 8.539 14.695 -12.945 1.00 94.44 C +ATOM 1361 O GLY A 174 9.562 15.320 -12.633 1.00 94.44 O +ATOM 1362 N TRP A 175 7.500 14.617 -12.039 1.00 97.81 N +ATOM 1363 CA TRP A 175 7.668 14.891 -10.617 1.00 97.81 C +ATOM 1364 C TRP A 175 7.941 13.609 -9.844 1.00 97.81 C +ATOM 1365 CB TRP A 175 6.430 15.586 -10.055 1.00 97.81 C +ATOM 1366 O TRP A 175 7.016 12.852 -9.531 1.00 97.81 O +ATOM 1367 CG TRP A 175 6.625 16.172 -8.688 1.00 97.81 C +ATOM 1368 CD1 TRP A 175 7.816 16.391 -8.047 1.00 97.81 C +ATOM 1369 CD2 TRP A 175 5.602 16.594 -7.785 1.00 97.81 C +ATOM 1370 CE2 TRP A 175 6.242 17.078 -6.621 1.00 97.81 C +ATOM 1371 CE3 TRP A 175 4.199 16.625 -7.852 1.00 97.81 C +ATOM 1372 NE1 TRP A 175 7.590 16.938 -6.805 1.00 97.81 N +ATOM 1373 CH2 TRP A 175 4.160 17.594 -5.617 1.00 97.81 C +ATOM 1374 CZ2 TRP A 175 5.527 17.578 -5.527 1.00 97.81 C +ATOM 1375 CZ3 TRP A 175 3.494 17.125 -6.762 1.00 97.81 C +ATOM 1376 N SER A 176 9.211 13.344 -9.781 1.00 97.69 N +ATOM 1377 CA SER A 176 9.789 12.070 -9.367 1.00 97.69 C +ATOM 1378 C SER A 176 9.836 11.086 -10.523 1.00 97.69 C +ATOM 1379 CB SER A 176 8.984 11.477 -8.211 1.00 97.69 C +ATOM 1380 O SER A 176 9.758 11.484 -11.688 1.00 97.69 O +ATOM 1381 OG SER A 176 9.680 10.383 -7.629 1.00 97.69 O +ATOM 1382 N ARG A 177 10.141 9.812 -10.195 1.00 97.56 N +ATOM 1383 CA ARG A 177 10.219 8.758 -11.195 1.00 97.56 C +ATOM 1384 C ARG A 177 10.078 7.383 -10.547 1.00 97.56 C +ATOM 1385 CB ARG A 177 11.531 8.836 -11.977 1.00 97.56 C +ATOM 1386 O ARG A 177 10.414 7.207 -9.375 1.00 97.56 O +ATOM 1387 CG ARG A 177 12.773 8.688 -11.109 1.00 97.56 C +ATOM 1388 CD ARG A 177 14.047 8.852 -11.922 1.00 97.56 C +ATOM 1389 NE ARG A 177 15.234 8.641 -11.102 1.00 97.56 N +ATOM 1390 NH1 ARG A 177 16.734 9.062 -12.812 1.00 97.56 N +ATOM 1391 NH2 ARG A 177 17.500 8.539 -10.711 1.00 97.56 N +ATOM 1392 CZ ARG A 177 16.484 8.750 -11.547 1.00 97.56 C +ATOM 1393 N TYR A 178 9.516 6.422 -11.359 1.00 98.06 N +ATOM 1394 CA TYR A 178 9.508 5.031 -10.930 1.00 98.06 C +ATOM 1395 C TYR A 178 10.797 4.324 -11.344 1.00 98.06 C +ATOM 1396 CB TYR A 178 8.297 4.293 -11.508 1.00 98.06 C +ATOM 1397 O TYR A 178 11.164 4.336 -12.516 1.00 98.06 O +ATOM 1398 CG TYR A 178 6.980 4.727 -10.914 1.00 98.06 C +ATOM 1399 CD1 TYR A 178 6.688 4.480 -9.570 1.00 98.06 C +ATOM 1400 CD2 TYR A 178 6.031 5.379 -11.688 1.00 98.06 C +ATOM 1401 CE1 TYR A 178 5.473 4.875 -9.023 1.00 98.06 C +ATOM 1402 CE2 TYR A 178 4.812 5.777 -11.148 1.00 98.06 C +ATOM 1403 OH TYR A 178 3.342 5.914 -9.273 1.00 98.06 O +ATOM 1404 CZ TYR A 178 4.543 5.523 -9.812 1.00 98.06 C +ATOM 1405 N ILE A 179 11.414 3.730 -10.352 1.00 97.56 N +ATOM 1406 CA ILE A 179 12.641 2.988 -10.633 1.00 97.56 C +ATOM 1407 C ILE A 179 12.609 1.648 -9.898 1.00 97.56 C +ATOM 1408 CB ILE A 179 13.898 3.795 -10.227 1.00 97.56 C +ATOM 1409 O ILE A 179 11.867 1.478 -8.930 1.00 97.56 O +ATOM 1410 CG1 ILE A 179 13.898 4.055 -8.719 1.00 97.56 C +ATOM 1411 CG2 ILE A 179 13.969 5.109 -11.008 1.00 97.56 C +ATOM 1412 CD1 ILE A 179 15.188 4.684 -8.195 1.00 97.56 C +ATOM 1413 N PRO A 180 13.430 0.674 -10.375 1.00 96.62 N +ATOM 1414 CA PRO A 180 13.500 -0.594 -9.648 1.00 96.62 C +ATOM 1415 C PRO A 180 13.984 -0.421 -8.211 1.00 96.62 C +ATOM 1416 CB PRO A 180 14.508 -1.413 -10.461 1.00 96.62 C +ATOM 1417 O PRO A 180 14.852 0.418 -7.941 1.00 96.62 O +ATOM 1418 CG PRO A 180 14.414 -0.852 -11.844 1.00 96.62 C +ATOM 1419 CD PRO A 180 14.203 0.631 -11.742 1.00 96.62 C +ATOM 1420 N GLU A 181 13.344 -1.181 -7.312 1.00 93.31 N +ATOM 1421 CA GLU A 181 13.680 -1.062 -5.895 1.00 93.31 C +ATOM 1422 C GLU A 181 14.164 -2.395 -5.332 1.00 93.31 C +ATOM 1423 CB GLU A 181 12.477 -0.562 -5.094 1.00 93.31 C +ATOM 1424 O GLU A 181 13.867 -3.455 -5.887 1.00 93.31 O +ATOM 1425 CG GLU A 181 11.328 -1.559 -5.023 1.00 93.31 C +ATOM 1426 CD GLU A 181 10.148 -1.060 -4.203 1.00 93.31 C +ATOM 1427 OE1 GLU A 181 9.094 -1.735 -4.180 1.00 93.31 O +ATOM 1428 OE2 GLU A 181 10.281 0.015 -3.576 1.00 93.31 O +ATOM 1429 N GLY A 182 14.906 -2.334 -4.227 1.00 91.19 N +ATOM 1430 CA GLY A 182 15.344 -3.525 -3.516 1.00 91.19 C +ATOM 1431 C GLY A 182 16.203 -4.445 -4.367 1.00 91.19 C +ATOM 1432 O GLY A 182 17.219 -4.023 -4.922 1.00 91.19 O +ATOM 1433 N MET A 183 15.648 -5.633 -4.547 1.00 94.38 N +ATOM 1434 CA MET A 183 16.328 -6.668 -5.316 1.00 94.38 C +ATOM 1435 C MET A 183 16.203 -6.410 -6.812 1.00 94.38 C +ATOM 1436 CB MET A 183 15.781 -8.047 -4.969 1.00 94.38 C +ATOM 1437 O MET A 183 16.594 -7.246 -7.625 1.00 94.38 O +ATOM 1438 CG MET A 183 16.031 -8.469 -3.533 1.00 94.38 C +ATOM 1439 SD MET A 183 15.359 -10.141 -3.158 1.00 94.38 S +ATOM 1440 CE MET A 183 14.500 -10.492 -4.715 1.00 94.38 C +ATOM 1441 N GLN A 184 15.555 -5.410 -7.141 1.00 94.94 N +ATOM 1442 CA GLN A 184 15.422 -4.867 -8.492 1.00 94.94 C +ATOM 1443 C GLN A 184 14.414 -5.664 -9.305 1.00 94.94 C +ATOM 1444 CB GLN A 184 16.781 -4.852 -9.195 1.00 94.94 C +ATOM 1445 O GLN A 184 14.578 -5.824 -10.516 1.00 94.94 O +ATOM 1446 CG GLN A 184 17.859 -4.066 -8.453 1.00 94.94 C +ATOM 1447 CD GLN A 184 17.531 -2.588 -8.352 1.00 94.94 C +ATOM 1448 NE2 GLN A 184 17.734 -2.018 -7.164 1.00 94.94 N +ATOM 1449 OE1 GLN A 184 17.109 -1.961 -9.320 1.00 94.94 O +ATOM 1450 N CYS A 185 13.469 -6.238 -8.703 1.00 96.69 N +ATOM 1451 CA CYS A 185 12.445 -7.023 -9.383 1.00 96.69 C +ATOM 1452 C CYS A 185 11.086 -6.344 -9.281 1.00 96.69 C +ATOM 1453 CB CYS A 185 12.367 -8.430 -8.789 1.00 96.69 C +ATOM 1454 O CYS A 185 10.070 -6.906 -9.703 1.00 96.69 O +ATOM 1455 SG CYS A 185 13.828 -9.438 -9.125 1.00 96.69 S +ATOM 1456 N SER A 186 11.055 -5.250 -8.625 1.00 96.69 N +ATOM 1457 CA SER A 186 9.875 -4.398 -8.500 1.00 96.69 C +ATOM 1458 C SER A 186 10.234 -2.928 -8.672 1.00 96.69 C +ATOM 1459 CB SER A 186 9.203 -4.613 -7.145 1.00 96.69 C +ATOM 1460 O SER A 186 11.414 -2.561 -8.609 1.00 96.69 O +ATOM 1461 OG SER A 186 10.055 -4.207 -6.090 1.00 96.69 O +ATOM 1462 N CYS A 187 9.180 -2.184 -8.906 1.00 97.25 N +ATOM 1463 CA CYS A 187 9.438 -0.764 -9.125 1.00 97.25 C +ATOM 1464 C CYS A 187 8.680 0.089 -8.109 1.00 97.25 C +ATOM 1465 CB CYS A 187 9.055 -0.355 -10.547 1.00 97.25 C +ATOM 1466 O CYS A 187 7.613 -0.304 -7.641 1.00 97.25 O +ATOM 1467 SG CYS A 187 10.023 -1.168 -11.828 1.00 97.25 S +ATOM 1468 N GLY A 188 9.273 1.220 -7.730 1.00 96.06 N +ATOM 1469 CA GLY A 188 8.664 2.166 -6.812 1.00 96.06 C +ATOM 1470 C GLY A 188 9.164 3.588 -7.000 1.00 96.06 C +ATOM 1471 O GLY A 188 9.922 3.865 -7.930 1.00 96.06 O +ATOM 1472 N ILE A 189 8.695 4.410 -6.102 1.00 96.12 N +ATOM 1473 CA ILE A 189 9.062 5.820 -6.121 1.00 96.12 C +ATOM 1474 C ILE A 189 10.547 5.969 -5.785 1.00 96.12 C +ATOM 1475 CB ILE A 189 8.203 6.645 -5.141 1.00 96.12 C +ATOM 1476 O ILE A 189 11.094 5.191 -5.000 1.00 96.12 O +ATOM 1477 CG1 ILE A 189 6.727 6.598 -5.555 1.00 96.12 C +ATOM 1478 CG2 ILE A 189 8.703 8.086 -5.062 1.00 96.12 C +ATOM 1479 CD1 ILE A 189 5.762 7.051 -4.465 1.00 96.12 C +ATOM 1480 N ASP A 190 11.164 6.945 -6.430 1.00 95.69 N +ATOM 1481 CA ASP A 190 12.594 7.176 -6.223 1.00 95.69 C +ATOM 1482 C ASP A 190 12.844 7.930 -4.918 1.00 95.69 C +ATOM 1483 CB ASP A 190 13.188 7.953 -7.398 1.00 95.69 C +ATOM 1484 O ASP A 190 12.719 9.156 -4.867 1.00 95.69 O +ATOM 1485 CG ASP A 190 14.695 8.086 -7.320 1.00 95.69 C +ATOM 1486 OD1 ASP A 190 15.297 7.641 -6.316 1.00 95.69 O +ATOM 1487 OD2 ASP A 190 15.289 8.641 -8.266 1.00 95.69 O +ATOM 1488 N TYR A 191 13.133 7.168 -3.865 1.00 92.69 N +ATOM 1489 CA TYR A 191 13.477 7.777 -2.586 1.00 92.69 C +ATOM 1490 C TYR A 191 14.984 7.766 -2.367 1.00 92.69 C +ATOM 1491 CB TYR A 191 12.773 7.051 -1.436 1.00 92.69 C +ATOM 1492 O TYR A 191 15.469 8.211 -1.324 1.00 92.69 O +ATOM 1493 CG TYR A 191 11.320 6.746 -1.704 1.00 92.69 C +ATOM 1494 CD1 TYR A 191 10.375 7.770 -1.768 1.00 92.69 C +ATOM 1495 CD2 TYR A 191 10.891 5.441 -1.895 1.00 92.69 C +ATOM 1496 CE1 TYR A 191 9.039 7.496 -2.012 1.00 92.69 C +ATOM 1497 CE2 TYR A 191 9.547 5.152 -2.141 1.00 92.69 C +ATOM 1498 OH TYR A 191 7.305 5.910 -2.441 1.00 92.69 O +ATOM 1499 CZ TYR A 191 8.633 6.188 -2.197 1.00 92.69 C +ATOM 1500 N TYR A 192 15.711 7.320 -3.391 1.00 92.00 N +ATOM 1501 CA TYR A 192 17.125 7.008 -3.275 1.00 92.00 C +ATOM 1502 C TYR A 192 17.984 8.180 -3.738 1.00 92.00 C +ATOM 1503 CB TYR A 192 17.484 5.758 -4.086 1.00 92.00 C +ATOM 1504 O TYR A 192 19.062 8.422 -3.195 1.00 92.00 O +ATOM 1505 CG TYR A 192 16.625 4.559 -3.746 1.00 92.00 C +ATOM 1506 CD1 TYR A 192 16.938 3.754 -2.650 1.00 92.00 C +ATOM 1507 CD2 TYR A 192 15.516 4.227 -4.520 1.00 92.00 C +ATOM 1508 CE1 TYR A 192 16.156 2.646 -2.332 1.00 92.00 C +ATOM 1509 CE2 TYR A 192 14.734 3.121 -4.211 1.00 92.00 C +ATOM 1510 OH TYR A 192 14.281 1.245 -2.809 1.00 92.00 O +ATOM 1511 CZ TYR A 192 15.055 2.340 -3.117 1.00 92.00 C +ATOM 1512 N THR A 193 17.469 8.820 -4.738 1.00 92.38 N +ATOM 1513 CA THR A 193 18.359 9.766 -5.406 1.00 92.38 C +ATOM 1514 C THR A 193 17.734 11.148 -5.488 1.00 92.38 C +ATOM 1515 CB THR A 193 18.734 9.281 -6.824 1.00 92.38 C +ATOM 1516 O THR A 193 16.531 11.297 -5.258 1.00 92.38 O +ATOM 1517 CG2 THR A 193 19.203 7.828 -6.805 1.00 92.38 C +ATOM 1518 OG1 THR A 193 17.578 9.391 -7.668 1.00 92.38 O +ATOM 1519 N ARG A 194 18.562 12.180 -5.738 1.00 91.94 N +ATOM 1520 CA ARG A 194 18.156 13.531 -6.102 1.00 91.94 C +ATOM 1521 C ARG A 194 18.516 13.844 -7.551 1.00 91.94 C +ATOM 1522 CB ARG A 194 18.797 14.555 -5.164 1.00 91.94 C +ATOM 1523 O ARG A 194 19.266 14.781 -7.816 1.00 91.94 O +ATOM 1524 CG ARG A 194 18.484 14.328 -3.695 1.00 91.94 C +ATOM 1525 CD ARG A 194 17.000 14.539 -3.389 1.00 91.94 C +ATOM 1526 NE ARG A 194 16.734 14.453 -1.956 1.00 91.94 N +ATOM 1527 NH1 ARG A 194 15.805 12.336 -2.053 1.00 91.94 N +ATOM 1528 NH2 ARG A 194 15.969 13.430 -0.045 1.00 91.94 N +ATOM 1529 CZ ARG A 194 16.172 13.406 -1.354 1.00 91.94 C +ATOM 1530 N ALA A 195 17.953 12.945 -8.359 1.00 91.56 N +ATOM 1531 CA ALA A 195 18.266 13.039 -9.781 1.00 91.56 C +ATOM 1532 C ALA A 195 17.797 14.375 -10.359 1.00 91.56 C +ATOM 1533 CB ALA A 195 17.609 11.891 -10.539 1.00 91.56 C +ATOM 1534 O ALA A 195 16.688 14.828 -10.078 1.00 91.56 O +ATOM 1535 N GLU A 196 18.719 15.055 -11.078 1.00 91.12 N +ATOM 1536 CA GLU A 196 18.422 16.359 -11.656 1.00 91.12 C +ATOM 1537 C GLU A 196 17.203 16.297 -12.578 1.00 91.12 C +ATOM 1538 CB GLU A 196 19.641 16.891 -12.422 1.00 91.12 C +ATOM 1539 O GLU A 196 17.094 15.383 -13.391 1.00 91.12 O +ATOM 1540 CG GLU A 196 20.766 17.391 -11.531 1.00 91.12 C +ATOM 1541 CD GLU A 196 21.891 18.078 -12.297 1.00 91.12 C +ATOM 1542 OE1 GLU A 196 22.859 18.547 -11.664 1.00 91.12 O +ATOM 1543 OE2 GLU A 196 21.797 18.125 -13.539 1.00 91.12 O +ATOM 1544 N GLY A 197 16.203 17.203 -12.383 1.00 92.25 N +ATOM 1545 CA GLY A 197 15.070 17.328 -13.289 1.00 92.25 C +ATOM 1546 C GLY A 197 13.836 16.594 -12.797 1.00 92.25 C +ATOM 1547 O GLY A 197 12.758 16.734 -13.375 1.00 92.25 O +ATOM 1548 N PHE A 198 13.922 15.812 -11.688 1.00 93.81 N +ATOM 1549 CA PHE A 198 12.773 15.016 -11.266 1.00 93.81 C +ATOM 1550 C PHE A 198 12.188 15.555 -9.969 1.00 93.81 C +ATOM 1551 CB PHE A 198 13.180 13.547 -11.086 1.00 93.81 C +ATOM 1552 O PHE A 198 11.062 15.203 -9.602 1.00 93.81 O +ATOM 1553 CG PHE A 198 13.422 12.820 -12.375 1.00 93.81 C +ATOM 1554 CD1 PHE A 198 12.352 12.391 -13.156 1.00 93.81 C +ATOM 1555 CD2 PHE A 198 14.719 12.562 -12.820 1.00 93.81 C +ATOM 1556 CE1 PHE A 198 12.578 11.711 -14.359 1.00 93.81 C +ATOM 1557 CE2 PHE A 198 14.945 11.891 -14.016 1.00 93.81 C +ATOM 1558 CZ PHE A 198 13.867 11.469 -14.781 1.00 93.81 C +ATOM 1559 N ASN A 199 12.945 16.406 -9.266 1.00 95.81 N +ATOM 1560 CA ASN A 199 12.492 17.000 -8.016 1.00 95.81 C +ATOM 1561 C ASN A 199 12.016 15.945 -7.027 1.00 95.81 C +ATOM 1562 CB ASN A 199 11.383 18.031 -8.281 1.00 95.81 C +ATOM 1563 O ASN A 199 10.930 16.078 -6.453 1.00 95.81 O +ATOM 1564 CG ASN A 199 11.844 19.172 -9.148 1.00 95.81 C +ATOM 1565 ND2 ASN A 199 11.109 19.438 -10.227 1.00 95.81 N +ATOM 1566 OD1 ASN A 199 12.852 19.828 -8.859 1.00 95.81 O +ATOM 1567 N ASN A 200 12.859 14.844 -6.848 1.00 95.69 N +ATOM 1568 CA ASN A 200 12.531 13.727 -5.969 1.00 95.69 C +ATOM 1569 C ASN A 200 12.352 14.188 -4.527 1.00 95.69 C +ATOM 1570 CB ASN A 200 13.609 12.641 -6.051 1.00 95.69 C +ATOM 1571 O ASN A 200 11.500 13.656 -3.807 1.00 95.69 O +ATOM 1572 CG ASN A 200 13.602 11.914 -7.379 1.00 95.69 C +ATOM 1573 ND2 ASN A 200 14.781 11.484 -7.824 1.00 95.69 N +ATOM 1574 OD1 ASN A 200 12.555 11.734 -8.000 1.00 95.69 O +ATOM 1575 N GLU A 201 13.117 15.188 -4.234 1.00 95.62 N +ATOM 1576 CA GLU A 201 13.062 15.672 -2.855 1.00 95.62 C +ATOM 1577 C GLU A 201 11.680 16.203 -2.516 1.00 95.62 C +ATOM 1578 CB GLU A 201 14.117 16.750 -2.621 1.00 95.62 C +ATOM 1579 O GLU A 201 11.078 15.812 -1.513 1.00 95.62 O +ATOM 1580 CG GLU A 201 14.211 17.219 -1.176 1.00 95.62 C +ATOM 1581 CD GLU A 201 15.305 18.250 -0.944 1.00 95.62 C +ATOM 1582 OE1 GLU A 201 15.359 18.844 0.157 1.00 95.62 O +ATOM 1583 OE2 GLU A 201 16.125 18.453 -1.872 1.00 95.62 O +ATOM 1584 N SER A 202 11.227 17.141 -3.271 1.00 97.75 N +ATOM 1585 CA SER A 202 9.914 17.719 -3.020 1.00 97.75 C +ATOM 1586 C SER A 202 8.820 16.672 -3.076 1.00 97.75 C +ATOM 1587 CB SER A 202 9.625 18.828 -4.027 1.00 97.75 C +ATOM 1588 O SER A 202 7.875 16.703 -2.283 1.00 97.75 O +ATOM 1589 OG SER A 202 9.609 18.328 -5.348 1.00 97.75 O +ATOM 1590 N PHE A 203 8.953 15.727 -3.881 1.00 98.31 N +ATOM 1591 CA PHE A 203 7.930 14.703 -4.062 1.00 98.31 C +ATOM 1592 C PHE A 203 7.879 13.766 -2.861 1.00 98.31 C +ATOM 1593 CB PHE A 203 8.180 13.906 -5.344 1.00 98.31 C +ATOM 1594 O PHE A 203 6.797 13.422 -2.381 1.00 98.31 O +ATOM 1595 CG PHE A 203 7.070 12.953 -5.691 1.00 98.31 C +ATOM 1596 CD1 PHE A 203 7.234 11.586 -5.527 1.00 98.31 C +ATOM 1597 CD2 PHE A 203 5.863 13.430 -6.188 1.00 98.31 C +ATOM 1598 CE1 PHE A 203 6.207 10.695 -5.852 1.00 98.31 C +ATOM 1599 CE2 PHE A 203 4.832 12.547 -6.512 1.00 98.31 C +ATOM 1600 CZ PHE A 203 5.008 11.188 -6.344 1.00 98.31 C +ATOM 1601 N VAL A 204 9.039 13.336 -2.402 1.00 97.00 N +ATOM 1602 CA VAL A 204 9.078 12.438 -1.255 1.00 97.00 C +ATOM 1603 C VAL A 204 8.484 13.133 -0.031 1.00 97.00 C +ATOM 1604 CB VAL A 204 10.516 11.969 -0.956 1.00 97.00 C +ATOM 1605 O VAL A 204 7.754 12.523 0.749 1.00 97.00 O +ATOM 1606 CG1 VAL A 204 10.570 11.180 0.356 1.00 97.00 C +ATOM 1607 CG2 VAL A 204 11.047 11.117 -2.109 1.00 97.00 C +ATOM 1608 N LEU A 205 8.797 14.406 0.171 1.00 97.69 N +ATOM 1609 CA LEU A 205 8.195 15.172 1.259 1.00 97.69 C +ATOM 1610 C LEU A 205 6.676 15.219 1.113 1.00 97.69 C +ATOM 1611 CB LEU A 205 8.766 16.594 1.294 1.00 97.69 C +ATOM 1612 O LEU A 205 5.949 15.062 2.096 1.00 97.69 O +ATOM 1613 CG LEU A 205 10.219 16.734 1.745 1.00 97.69 C +ATOM 1614 CD1 LEU A 205 10.719 18.141 1.505 1.00 97.69 C +ATOM 1615 CD2 LEU A 205 10.359 16.344 3.215 1.00 97.69 C +ATOM 1616 N TYR A 206 6.223 15.453 -0.033 1.00 98.19 N +ATOM 1617 CA TYR A 206 4.797 15.445 -0.350 1.00 98.19 C +ATOM 1618 C TYR A 206 4.164 14.109 0.003 1.00 98.19 C +ATOM 1619 CB TYR A 206 4.574 15.758 -1.834 1.00 98.19 C +ATOM 1620 O TYR A 206 3.135 14.062 0.681 1.00 98.19 O +ATOM 1621 CG TYR A 206 3.197 15.391 -2.330 1.00 98.19 C +ATOM 1622 CD1 TYR A 206 3.008 14.312 -3.186 1.00 98.19 C +ATOM 1623 CD2 TYR A 206 2.082 16.125 -1.943 1.00 98.19 C +ATOM 1624 CE1 TYR A 206 1.739 13.969 -3.646 1.00 98.19 C +ATOM 1625 CE2 TYR A 206 0.810 15.797 -2.398 1.00 98.19 C +ATOM 1626 OH TYR A 206 -0.609 14.391 -3.701 1.00 98.19 O +ATOM 1627 CZ TYR A 206 0.648 14.719 -3.248 1.00 98.19 C +ATOM 1628 N MET A 207 4.777 13.000 -0.394 1.00 97.12 N +ATOM 1629 CA MET A 207 4.258 11.656 -0.145 1.00 97.12 C +ATOM 1630 C MET A 207 4.199 11.367 1.351 1.00 97.12 C +ATOM 1631 CB MET A 207 5.121 10.609 -0.848 1.00 97.12 C +ATOM 1632 O MET A 207 3.205 10.828 1.845 1.00 97.12 O +ATOM 1633 CG MET A 207 4.871 10.508 -2.344 1.00 97.12 C +ATOM 1634 SD MET A 207 3.270 9.703 -2.736 1.00 97.12 S +ATOM 1635 CE MET A 207 3.727 7.961 -2.512 1.00 97.12 C +ATOM 1636 N PHE A 208 5.199 11.750 1.992 1.00 96.19 N +ATOM 1637 CA PHE A 208 5.277 11.453 3.420 1.00 96.19 C +ATOM 1638 C PHE A 208 4.227 12.250 4.191 1.00 96.19 C +ATOM 1639 CB PHE A 208 6.676 11.773 3.957 1.00 96.19 C +ATOM 1640 O PHE A 208 3.469 11.680 4.980 1.00 96.19 O +ATOM 1641 CG PHE A 208 6.879 11.375 5.395 1.00 96.19 C +ATOM 1642 CD1 PHE A 208 6.840 12.328 6.406 1.00 96.19 C +ATOM 1643 CD2 PHE A 208 7.105 10.055 5.734 1.00 96.19 C +ATOM 1644 CE1 PHE A 208 7.027 11.961 7.738 1.00 96.19 C +ATOM 1645 CE2 PHE A 208 7.293 9.680 7.062 1.00 96.19 C +ATOM 1646 CZ PHE A 208 7.254 10.633 8.062 1.00 96.19 C +ATOM 1647 N PHE A 209 4.055 13.484 4.008 1.00 96.94 N +ATOM 1648 CA PHE A 209 3.195 14.336 4.820 1.00 96.94 C +ATOM 1649 C PHE A 209 1.747 14.250 4.352 1.00 96.94 C +ATOM 1650 CB PHE A 209 3.680 15.789 4.777 1.00 96.94 C +ATOM 1651 O PHE A 209 0.824 14.234 5.168 1.00 96.94 O +ATOM 1652 CG PHE A 209 4.883 16.047 5.641 1.00 96.94 C +ATOM 1653 CD1 PHE A 209 4.781 16.031 7.027 1.00 96.94 C +ATOM 1654 CD2 PHE A 209 6.121 16.312 5.066 1.00 96.94 C +ATOM 1655 CE1 PHE A 209 5.895 16.281 7.828 1.00 96.94 C +ATOM 1656 CE2 PHE A 209 7.238 16.562 5.859 1.00 96.94 C +ATOM 1657 CZ PHE A 209 7.121 16.547 7.242 1.00 96.94 C +ATOM 1658 N CYS A 210 1.558 14.062 3.129 1.00 97.38 N +ATOM 1659 CA CYS A 210 0.196 14.078 2.605 1.00 97.38 C +ATOM 1660 C CYS A 210 -0.390 12.672 2.582 1.00 97.38 C +ATOM 1661 CB CYS A 210 0.167 14.672 1.199 1.00 97.38 C +ATOM 1662 O CYS A 210 -1.549 12.469 2.947 1.00 97.38 O +ATOM 1663 SG CYS A 210 -1.499 14.945 0.558 1.00 97.38 S +ATOM 1664 N HIS A 211 0.366 11.695 2.246 1.00 96.44 N +ATOM 1665 CA HIS A 211 -0.200 10.383 1.949 1.00 96.44 C +ATOM 1666 C HIS A 211 0.124 9.383 3.051 1.00 96.44 C +ATOM 1667 CB HIS A 211 0.315 9.875 0.603 1.00 96.44 C +ATOM 1668 O HIS A 211 -0.503 8.320 3.135 1.00 96.44 O +ATOM 1669 CG HIS A 211 -0.257 10.602 -0.574 1.00 96.44 C +ATOM 1670 CD2 HIS A 211 0.248 11.602 -1.331 1.00 96.44 C +ATOM 1671 ND1 HIS A 211 -1.502 10.312 -1.092 1.00 96.44 N +ATOM 1672 CE1 HIS A 211 -1.738 11.109 -2.119 1.00 96.44 C +ATOM 1673 NE2 HIS A 211 -0.692 11.898 -2.287 1.00 96.44 N +ATOM 1674 N PHE A 212 1.015 9.758 3.877 1.00 94.06 N +ATOM 1675 CA PHE A 212 1.281 8.883 5.016 1.00 94.06 C +ATOM 1676 C PHE A 212 0.796 9.516 6.312 1.00 94.06 C +ATOM 1677 CB PHE A 212 2.777 8.562 5.109 1.00 94.06 C +ATOM 1678 O PHE A 212 -0.050 8.953 7.008 1.00 94.06 O +ATOM 1679 CG PHE A 212 3.135 7.672 6.270 1.00 94.06 C +ATOM 1680 CD1 PHE A 212 3.861 8.164 7.348 1.00 94.06 C +ATOM 1681 CD2 PHE A 212 2.744 6.340 6.281 1.00 94.06 C +ATOM 1682 CE1 PHE A 212 4.191 7.340 8.422 1.00 94.06 C +ATOM 1683 CE2 PHE A 212 3.072 5.508 7.348 1.00 94.06 C +ATOM 1684 CZ PHE A 212 3.797 6.012 8.414 1.00 94.06 C +ATOM 1685 N MET A 213 1.230 10.742 6.707 1.00 95.44 N +ATOM 1686 CA MET A 213 0.953 11.375 7.992 1.00 95.44 C +ATOM 1687 C MET A 213 -0.523 11.742 8.109 1.00 95.44 C +ATOM 1688 CB MET A 213 1.818 12.617 8.180 1.00 95.44 C +ATOM 1689 O MET A 213 -1.152 11.477 9.133 1.00 95.44 O +ATOM 1690 CG MET A 213 3.270 12.312 8.508 1.00 95.44 C +ATOM 1691 SD MET A 213 3.449 11.344 10.055 1.00 95.44 S +ATOM 1692 CE MET A 213 5.121 10.680 9.828 1.00 95.44 C +ATOM 1693 N VAL A 214 -1.055 12.344 7.082 1.00 97.00 N +ATOM 1694 CA VAL A 214 -2.441 12.789 7.129 1.00 97.00 C +ATOM 1695 C VAL A 214 -3.365 11.594 7.348 1.00 97.00 C +ATOM 1696 CB VAL A 214 -2.840 13.539 5.840 1.00 97.00 C +ATOM 1697 O VAL A 214 -4.207 11.602 8.250 1.00 97.00 O +ATOM 1698 CG1 VAL A 214 -4.355 13.719 5.766 1.00 97.00 C +ATOM 1699 CG2 VAL A 214 -2.135 14.898 5.773 1.00 97.00 C +ATOM 1700 N PRO A 215 -3.297 10.547 6.527 1.00 95.94 N +ATOM 1701 CA PRO A 215 -4.152 9.391 6.797 1.00 95.94 C +ATOM 1702 C PRO A 215 -3.924 8.797 8.188 1.00 95.94 C +ATOM 1703 CB PRO A 215 -3.750 8.391 5.707 1.00 95.94 C +ATOM 1704 O PRO A 215 -4.879 8.391 8.852 1.00 95.94 O +ATOM 1705 CG PRO A 215 -3.266 9.234 4.574 1.00 95.94 C +ATOM 1706 CD PRO A 215 -2.559 10.430 5.141 1.00 95.94 C +ATOM 1707 N LEU A 216 -2.695 8.742 8.539 1.00 95.31 N +ATOM 1708 CA LEU A 216 -2.371 8.227 9.867 1.00 95.31 C +ATOM 1709 C LEU A 216 -3.070 9.039 10.953 1.00 95.31 C +ATOM 1710 CB LEU A 216 -0.858 8.250 10.094 1.00 95.31 C +ATOM 1711 O LEU A 216 -3.686 8.477 11.859 1.00 95.31 O +ATOM 1712 CG LEU A 216 -0.360 7.629 11.398 1.00 95.31 C +ATOM 1713 CD1 LEU A 216 -0.610 6.125 11.398 1.00 95.31 C +ATOM 1714 CD2 LEU A 216 1.121 7.930 11.602 1.00 95.31 C +ATOM 1715 N ILE A 217 -3.016 10.297 10.898 1.00 97.25 N +ATOM 1716 CA ILE A 217 -3.625 11.203 11.867 1.00 97.25 C +ATOM 1717 C ILE A 217 -5.145 11.031 11.852 1.00 97.25 C +ATOM 1718 CB ILE A 217 -3.246 12.672 11.594 1.00 97.25 C +ATOM 1719 O ILE A 217 -5.781 10.953 12.898 1.00 97.25 O +ATOM 1720 CG1 ILE A 217 -1.768 12.914 11.922 1.00 97.25 C +ATOM 1721 CG2 ILE A 217 -4.145 13.617 12.391 1.00 97.25 C +ATOM 1722 CD1 ILE A 217 -1.229 14.242 11.414 1.00 97.25 C +ATOM 1723 N ILE A 218 -5.691 10.945 10.664 1.00 97.62 N +ATOM 1724 CA ILE A 218 -7.129 10.773 10.516 1.00 97.62 C +ATOM 1725 C ILE A 218 -7.570 9.469 11.180 1.00 97.62 C +ATOM 1726 CB ILE A 218 -7.547 10.773 9.023 1.00 97.62 C +ATOM 1727 O ILE A 218 -8.539 9.453 11.945 1.00 97.62 O +ATOM 1728 CG1 ILE A 218 -7.426 12.188 8.438 1.00 97.62 C +ATOM 1729 CG2 ILE A 218 -8.969 10.234 8.859 1.00 97.62 C +ATOM 1730 CD1 ILE A 218 -7.629 12.258 6.934 1.00 97.62 C +ATOM 1731 N ILE A 219 -6.848 8.453 10.945 1.00 95.50 N +ATOM 1732 CA ILE A 219 -7.215 7.133 11.453 1.00 95.50 C +ATOM 1733 C ILE A 219 -7.148 7.133 12.977 1.00 95.50 C +ATOM 1734 CB ILE A 219 -6.297 6.031 10.883 1.00 95.50 C +ATOM 1735 O ILE A 219 -8.086 6.699 13.648 1.00 95.50 O +ATOM 1736 CG1 ILE A 219 -6.621 5.785 9.398 1.00 95.50 C +ATOM 1737 CG2 ILE A 219 -6.434 4.738 11.688 1.00 95.50 C +ATOM 1738 CD1 ILE A 219 -5.645 4.852 8.703 1.00 95.50 C +ATOM 1739 N PHE A 220 -6.105 7.664 13.492 1.00 96.25 N +ATOM 1740 CA PHE A 220 -5.930 7.668 14.938 1.00 96.25 C +ATOM 1741 C PHE A 220 -6.953 8.578 15.609 1.00 96.25 C +ATOM 1742 CB PHE A 220 -4.512 8.109 15.305 1.00 96.25 C +ATOM 1743 O PHE A 220 -7.527 8.219 16.641 1.00 96.25 O +ATOM 1744 CG PHE A 220 -3.510 6.988 15.344 1.00 96.25 C +ATOM 1745 CD1 PHE A 220 -3.361 6.207 16.484 1.00 96.25 C +ATOM 1746 CD2 PHE A 220 -2.719 6.711 14.234 1.00 96.25 C +ATOM 1747 CE1 PHE A 220 -2.438 5.168 16.516 1.00 96.25 C +ATOM 1748 CE2 PHE A 220 -1.793 5.672 14.266 1.00 96.25 C +ATOM 1749 CZ PHE A 220 -1.652 4.902 15.406 1.00 96.25 C +ATOM 1750 N PHE A 221 -7.105 9.695 15.023 1.00 96.50 N +ATOM 1751 CA PHE A 221 -8.070 10.633 15.586 1.00 96.50 C +ATOM 1752 C PHE A 221 -9.477 10.047 15.555 1.00 96.50 C +ATOM 1753 CB PHE A 221 -8.039 11.961 14.820 1.00 96.50 C +ATOM 1754 O PHE A 221 -10.180 10.039 16.562 1.00 96.50 O +ATOM 1755 CG PHE A 221 -9.109 12.930 15.234 1.00 96.50 C +ATOM 1756 CD1 PHE A 221 -10.258 13.086 14.477 1.00 96.50 C +ATOM 1757 CD2 PHE A 221 -8.969 13.688 16.391 1.00 96.50 C +ATOM 1758 CE1 PHE A 221 -11.258 13.984 14.859 1.00 96.50 C +ATOM 1759 CE2 PHE A 221 -9.953 14.586 16.781 1.00 96.50 C +ATOM 1760 CZ PHE A 221 -11.102 14.734 16.016 1.00 96.50 C +ATOM 1761 N CYS A 222 -9.961 9.555 14.453 1.00 96.69 N +ATOM 1762 CA CYS A 222 -11.320 9.062 14.273 1.00 96.69 C +ATOM 1763 C CYS A 222 -11.570 7.836 15.141 1.00 96.69 C +ATOM 1764 CB CYS A 222 -11.570 8.719 12.805 1.00 96.69 C +ATOM 1765 O CYS A 222 -12.578 7.766 15.844 1.00 96.69 O +ATOM 1766 SG CYS A 222 -11.656 10.156 11.719 1.00 96.69 S +ATOM 1767 N TYR A 223 -10.703 6.930 15.094 1.00 95.62 N +ATOM 1768 CA TYR A 223 -10.898 5.715 15.875 1.00 95.62 C +ATOM 1769 C TYR A 223 -10.750 5.996 17.359 1.00 95.62 C +ATOM 1770 CB TYR A 223 -9.898 4.637 15.453 1.00 95.62 C +ATOM 1771 O TYR A 223 -11.383 5.336 18.188 1.00 95.62 O +ATOM 1772 CG TYR A 223 -10.336 3.840 14.242 1.00 95.62 C +ATOM 1773 CD1 TYR A 223 -11.688 3.613 13.992 1.00 95.62 C +ATOM 1774 CD2 TYR A 223 -9.406 3.311 13.359 1.00 95.62 C +ATOM 1775 CE1 TYR A 223 -12.102 2.877 12.891 1.00 95.62 C +ATOM 1776 CE2 TYR A 223 -9.805 2.574 12.250 1.00 95.62 C +ATOM 1777 OH TYR A 223 -11.555 1.634 10.922 1.00 95.62 O +ATOM 1778 CZ TYR A 223 -11.148 2.363 12.023 1.00 95.62 C +ATOM 1779 N GLY A 224 -9.812 6.914 17.703 1.00 95.62 N +ATOM 1780 CA GLY A 224 -9.727 7.352 19.078 1.00 95.62 C +ATOM 1781 C GLY A 224 -11.031 7.902 19.609 1.00 95.62 C +ATOM 1782 O GLY A 224 -11.469 7.527 20.703 1.00 95.62 O +ATOM 1783 N ARG A 225 -11.641 8.711 18.891 1.00 95.38 N +ATOM 1784 CA ARG A 225 -12.922 9.289 19.297 1.00 95.38 C +ATOM 1785 C ARG A 225 -14.016 8.227 19.328 1.00 95.38 C +ATOM 1786 CB ARG A 225 -13.320 10.414 18.328 1.00 95.38 C +ATOM 1787 O ARG A 225 -14.891 8.250 20.203 1.00 95.38 O +ATOM 1788 CG ARG A 225 -12.406 11.625 18.391 1.00 95.38 C +ATOM 1789 CD ARG A 225 -12.430 12.281 19.766 1.00 95.38 C +ATOM 1790 NE ARG A 225 -13.703 12.969 20.016 1.00 95.38 N +ATOM 1791 NH1 ARG A 225 -13.117 13.742 22.109 1.00 95.38 N +ATOM 1792 NH2 ARG A 225 -15.180 14.234 21.234 1.00 95.38 N +ATOM 1793 CZ ARG A 225 -13.992 13.648 21.109 1.00 95.38 C +ATOM 1794 N LEU A 226 -13.953 7.391 18.359 1.00 94.12 N +ATOM 1795 CA LEU A 226 -14.906 6.289 18.312 1.00 94.12 C +ATOM 1796 C LEU A 226 -14.836 5.445 19.578 1.00 94.12 C +ATOM 1797 CB LEU A 226 -14.641 5.410 17.078 1.00 94.12 C +ATOM 1798 O LEU A 226 -15.859 5.125 20.172 1.00 94.12 O +ATOM 1799 CG LEU A 226 -15.555 4.195 16.906 1.00 94.12 C +ATOM 1800 CD1 LEU A 226 -17.016 4.641 16.812 1.00 94.12 C +ATOM 1801 CD2 LEU A 226 -15.156 3.398 15.672 1.00 94.12 C +ATOM 1802 N LEU A 227 -13.672 5.172 19.984 1.00 95.62 N +ATOM 1803 CA LEU A 227 -13.484 4.352 21.172 1.00 95.62 C +ATOM 1804 C LEU A 227 -13.969 5.086 22.422 1.00 95.62 C +ATOM 1805 CB LEU A 227 -12.008 3.973 21.328 1.00 95.62 C +ATOM 1806 O LEU A 227 -14.578 4.477 23.312 1.00 95.62 O +ATOM 1807 CG LEU A 227 -11.469 2.926 20.359 1.00 95.62 C +ATOM 1808 CD1 LEU A 227 -9.969 2.730 20.562 1.00 95.62 C +ATOM 1809 CD2 LEU A 227 -12.211 1.605 20.531 1.00 95.62 C +ATOM 1810 N CYS A 228 -13.695 6.305 22.453 1.00 95.31 N +ATOM 1811 CA CYS A 228 -14.172 7.102 23.578 1.00 95.31 C +ATOM 1812 C CYS A 228 -15.695 7.098 23.656 1.00 95.31 C +ATOM 1813 CB CYS A 228 -13.664 8.539 23.469 1.00 95.31 C +ATOM 1814 O CYS A 228 -16.266 6.914 24.719 1.00 95.31 O +ATOM 1815 SG CYS A 228 -11.883 8.703 23.719 1.00 95.31 S +ATOM 1816 N ALA A 229 -16.297 7.242 22.578 1.00 92.75 N +ATOM 1817 CA ALA A 229 -17.750 7.328 22.500 1.00 92.75 C +ATOM 1818 C ALA A 229 -18.391 5.996 22.875 1.00 92.75 C +ATOM 1819 CB ALA A 229 -18.188 7.758 21.109 1.00 92.75 C +ATOM 1820 O ALA A 229 -19.375 5.961 23.625 1.00 92.75 O +ATOM 1821 N VAL A 230 -17.844 4.918 22.391 1.00 93.06 N +ATOM 1822 CA VAL A 230 -18.438 3.609 22.625 1.00 93.06 C +ATOM 1823 C VAL A 230 -18.234 3.207 24.078 1.00 93.06 C +ATOM 1824 CB VAL A 230 -17.844 2.535 21.688 1.00 93.06 C +ATOM 1825 O VAL A 230 -19.094 2.543 24.672 1.00 93.06 O +ATOM 1826 CG1 VAL A 230 -18.375 2.713 20.266 1.00 93.06 C +ATOM 1827 CG2 VAL A 230 -16.328 2.592 21.703 1.00 93.06 C +ATOM 1828 N LYS A 231 -17.094 3.643 24.672 1.00 94.62 N +ATOM 1829 CA LYS A 231 -16.828 3.359 26.078 1.00 94.62 C +ATOM 1830 C LYS A 231 -17.781 4.148 26.984 1.00 94.62 C +ATOM 1831 CB LYS A 231 -15.383 3.680 26.422 1.00 94.62 C +ATOM 1832 O LYS A 231 -18.250 3.629 27.984 1.00 94.62 O +ATOM 1833 CG LYS A 231 -14.375 2.662 25.906 1.00 94.62 C +ATOM 1834 CD LYS A 231 -12.969 2.967 26.391 1.00 94.62 C +ATOM 1835 CE LYS A 231 -12.000 1.848 26.031 1.00 94.62 C +ATOM 1836 NZ LYS A 231 -10.617 2.131 26.531 1.00 94.62 N +ATOM 1837 N GLU A 232 -18.000 5.340 26.641 1.00 94.38 N +ATOM 1838 CA GLU A 232 -18.938 6.180 27.375 1.00 94.38 C +ATOM 1839 C GLU A 232 -20.344 5.613 27.328 1.00 94.38 C +ATOM 1840 CB GLU A 232 -18.906 7.613 26.844 1.00 94.38 C +ATOM 1841 O GLU A 232 -21.062 5.613 28.328 1.00 94.38 O +ATOM 1842 CG GLU A 232 -17.641 8.375 27.172 1.00 94.38 C +ATOM 1843 CD GLU A 232 -17.609 9.781 26.594 1.00 94.38 C +ATOM 1844 OE1 GLU A 232 -16.609 10.500 26.781 1.00 94.38 O +ATOM 1845 OE2 GLU A 232 -18.609 10.172 25.953 1.00 94.38 O +ATOM 1846 N ALA A 233 -20.766 5.188 26.141 1.00 91.88 N +ATOM 1847 CA ALA A 233 -22.078 4.590 25.969 1.00 91.88 C +ATOM 1848 C ALA A 233 -22.219 3.309 26.781 1.00 91.88 C +ATOM 1849 CB ALA A 233 -22.344 4.309 24.484 1.00 91.88 C +ATOM 1850 O ALA A 233 -23.266 3.064 27.391 1.00 91.88 O +ATOM 1851 N ALA A 234 -21.156 2.527 26.844 1.00 94.50 N +ATOM 1852 CA ALA A 234 -21.156 1.285 27.609 1.00 94.50 C +ATOM 1853 C ALA A 234 -21.234 1.565 29.109 1.00 94.50 C +ATOM 1854 CB ALA A 234 -19.922 0.460 27.281 1.00 94.50 C +ATOM 1855 O ALA A 234 -21.906 0.843 29.859 1.00 94.50 O +ATOM 1856 N ALA A 235 -20.531 2.590 29.484 1.00 95.88 N +ATOM 1857 CA ALA A 235 -20.531 2.975 30.891 1.00 95.88 C +ATOM 1858 C ALA A 235 -21.906 3.469 31.328 1.00 95.88 C +ATOM 1859 CB ALA A 235 -19.469 4.047 31.141 1.00 95.88 C +ATOM 1860 O ALA A 235 -22.328 3.217 32.469 1.00 95.88 O +ATOM 1861 N ALA A 236 -22.578 4.145 30.453 1.00 95.88 N +ATOM 1862 CA ALA A 236 -23.906 4.703 30.734 1.00 95.88 C +ATOM 1863 C ALA A 236 -24.969 3.613 30.750 1.00 95.88 C +ATOM 1864 CB ALA A 236 -24.250 5.789 29.719 1.00 95.88 C +ATOM 1865 O ALA A 236 -26.000 3.748 31.406 1.00 95.88 O +ATOM 1866 N GLN A 237 -24.734 2.545 30.000 1.00 94.31 N +ATOM 1867 CA GLN A 237 -25.688 1.440 29.875 1.00 94.31 C +ATOM 1868 C GLN A 237 -25.062 0.130 30.344 1.00 94.31 C +ATOM 1869 CB GLN A 237 -26.188 1.304 28.438 1.00 94.31 C +ATOM 1870 O GLN A 237 -24.953 -0.823 29.578 1.00 94.31 O +ATOM 1871 CG GLN A 237 -26.953 2.514 27.938 1.00 94.31 C +ATOM 1872 CD GLN A 237 -27.531 2.311 26.547 1.00 94.31 C +ATOM 1873 NE2 GLN A 237 -28.844 2.193 26.453 1.00 94.31 N +ATOM 1874 OE1 GLN A 237 -26.781 2.260 25.562 1.00 94.31 O +ATOM 1875 N GLN A 238 -24.734 0.060 31.625 1.00 92.62 N +ATOM 1876 CA GLN A 238 -23.969 -1.062 32.156 1.00 92.62 C +ATOM 1877 C GLN A 238 -24.828 -2.326 32.219 1.00 92.62 C +ATOM 1878 CB GLN A 238 -23.438 -0.725 33.562 1.00 92.62 C +ATOM 1879 O GLN A 238 -24.297 -3.439 32.125 1.00 92.62 O +ATOM 1880 CG GLN A 238 -22.312 0.298 33.562 1.00 92.62 C +ATOM 1881 CD GLN A 238 -21.719 0.545 34.938 1.00 92.62 C +ATOM 1882 NE2 GLN A 238 -20.422 0.797 35.000 1.00 92.62 N +ATOM 1883 OE1 GLN A 238 -22.438 0.510 35.938 1.00 92.62 O +ATOM 1884 N GLU A 239 -26.109 -2.113 32.188 1.00 94.94 N +ATOM 1885 CA GLU A 239 -26.984 -3.271 32.344 1.00 94.94 C +ATOM 1886 C GLU A 239 -27.312 -3.883 30.969 1.00 94.94 C +ATOM 1887 CB GLU A 239 -28.281 -2.883 33.062 1.00 94.94 C +ATOM 1888 O GLU A 239 -27.828 -5.004 30.891 1.00 94.94 O +ATOM 1889 CG GLU A 239 -28.062 -2.467 34.500 1.00 94.94 C +ATOM 1890 CD GLU A 239 -29.359 -2.152 35.219 1.00 94.94 C +ATOM 1891 OE1 GLU A 239 -29.328 -1.927 36.469 1.00 94.94 O +ATOM 1892 OE2 GLU A 239 -30.422 -2.135 34.562 1.00 94.94 O +ATOM 1893 N SER A 240 -27.000 -3.141 29.938 1.00 95.12 N +ATOM 1894 CA SER A 240 -27.312 -3.613 28.594 1.00 95.12 C +ATOM 1895 C SER A 240 -26.188 -4.500 28.047 1.00 95.12 C +ATOM 1896 CB SER A 240 -27.531 -2.432 27.656 1.00 95.12 C +ATOM 1897 O SER A 240 -25.094 -4.023 27.781 1.00 95.12 O +ATOM 1898 OG SER A 240 -27.797 -2.885 26.328 1.00 95.12 O +ATOM 1899 N GLU A 241 -26.438 -5.793 27.984 1.00 94.00 N +ATOM 1900 CA GLU A 241 -25.484 -6.766 27.469 1.00 94.00 C +ATOM 1901 C GLU A 241 -25.141 -6.480 26.016 1.00 94.00 C +ATOM 1902 CB GLU A 241 -26.031 -8.188 27.609 1.00 94.00 C +ATOM 1903 O GLU A 241 -24.000 -6.645 25.594 1.00 94.00 O +ATOM 1904 CG GLU A 241 -26.047 -8.695 29.047 1.00 94.00 C +ATOM 1905 CD GLU A 241 -26.562 -10.117 29.172 1.00 94.00 C +ATOM 1906 OE1 GLU A 241 -26.562 -10.672 30.297 1.00 94.00 O +ATOM 1907 OE2 GLU A 241 -26.984 -10.688 28.141 1.00 94.00 O +ATOM 1908 N THR A 242 -26.172 -6.039 25.266 1.00 91.88 N +ATOM 1909 CA THR A 242 -25.984 -5.754 23.859 1.00 91.88 C +ATOM 1910 C THR A 242 -25.000 -4.598 23.656 1.00 91.88 C +ATOM 1911 CB THR A 242 -27.328 -5.422 23.172 1.00 91.88 C +ATOM 1912 O THR A 242 -24.156 -4.645 22.766 1.00 91.88 O +ATOM 1913 CG2 THR A 242 -28.250 -6.633 23.156 1.00 91.88 C +ATOM 1914 OG1 THR A 242 -27.953 -4.352 23.875 1.00 91.88 O +ATOM 1915 N THR A 243 -25.156 -3.574 24.453 1.00 92.00 N +ATOM 1916 CA THR A 243 -24.281 -2.412 24.391 1.00 92.00 C +ATOM 1917 C THR A 243 -22.844 -2.785 24.766 1.00 92.00 C +ATOM 1918 CB THR A 243 -24.781 -1.276 25.297 1.00 92.00 C +ATOM 1919 O THR A 243 -21.891 -2.326 24.141 1.00 92.00 O +ATOM 1920 CG2 THR A 243 -23.891 -0.039 25.172 1.00 92.00 C +ATOM 1921 OG1 THR A 243 -26.125 -0.933 24.938 1.00 92.00 O +ATOM 1922 N GLN A 244 -22.672 -3.639 25.719 1.00 94.19 N +ATOM 1923 CA GLN A 244 -21.344 -4.074 26.156 1.00 94.19 C +ATOM 1924 C GLN A 244 -20.656 -4.910 25.078 1.00 94.19 C +ATOM 1925 CB GLN A 244 -21.438 -4.867 27.469 1.00 94.19 C +ATOM 1926 O GLN A 244 -19.469 -4.770 24.844 1.00 94.19 O +ATOM 1927 CG GLN A 244 -21.875 -4.035 28.656 1.00 94.19 C +ATOM 1928 CD GLN A 244 -20.891 -2.928 29.000 1.00 94.19 C +ATOM 1929 NE2 GLN A 244 -21.406 -1.712 29.156 1.00 94.19 N +ATOM 1930 OE1 GLN A 244 -19.688 -3.164 29.109 1.00 94.19 O +ATOM 1931 N ARG A 245 -21.453 -5.750 24.500 1.00 92.38 N +ATOM 1932 CA ARG A 245 -20.938 -6.590 23.422 1.00 92.38 C +ATOM 1933 C ARG A 245 -20.500 -5.746 22.234 1.00 92.38 C +ATOM 1934 CB ARG A 245 -22.000 -7.605 22.984 1.00 92.38 C +ATOM 1935 O ARG A 245 -19.453 -6.000 21.641 1.00 92.38 O +ATOM 1936 CG ARG A 245 -21.500 -8.602 21.953 1.00 92.38 C +ATOM 1937 CD ARG A 245 -22.578 -9.633 21.594 1.00 92.38 C +ATOM 1938 NE ARG A 245 -22.109 -10.547 20.562 1.00 92.38 N +ATOM 1939 NH1 ARG A 245 -24.078 -11.758 20.484 1.00 92.38 N +ATOM 1940 NH2 ARG A 245 -22.328 -12.312 19.109 1.00 92.38 N +ATOM 1941 CZ ARG A 245 -22.844 -11.539 20.047 1.00 92.38 C +ATOM 1942 N ALA A 246 -21.359 -4.812 21.891 1.00 88.88 N +ATOM 1943 CA ALA A 246 -21.031 -3.912 20.797 1.00 88.88 C +ATOM 1944 C ALA A 246 -19.734 -3.158 21.062 1.00 88.88 C +ATOM 1945 CB ALA A 246 -22.172 -2.928 20.547 1.00 88.88 C +ATOM 1946 O ALA A 246 -18.906 -2.992 20.172 1.00 88.88 O +ATOM 1947 N GLU A 247 -19.625 -2.695 22.266 1.00 93.56 N +ATOM 1948 CA GLU A 247 -18.391 -2.012 22.656 1.00 93.56 C +ATOM 1949 C GLU A 247 -17.172 -2.908 22.453 1.00 93.56 C +ATOM 1950 CB GLU A 247 -18.469 -1.550 24.109 1.00 93.56 C +ATOM 1951 O GLU A 247 -16.156 -2.471 21.922 1.00 93.56 O +ATOM 1952 CG GLU A 247 -17.281 -0.721 24.562 1.00 93.56 C +ATOM 1953 CD GLU A 247 -16.125 -1.563 25.078 1.00 93.56 C +ATOM 1954 OE1 GLU A 247 -14.977 -1.055 25.141 1.00 93.56 O +ATOM 1955 OE2 GLU A 247 -16.359 -2.742 25.422 1.00 93.56 O +ATOM 1956 N ARG A 248 -17.188 -4.121 22.891 1.00 92.88 N +ATOM 1957 CA ARG A 248 -16.078 -5.059 22.766 1.00 92.88 C +ATOM 1958 C ARG A 248 -15.766 -5.336 21.297 1.00 92.88 C +ATOM 1959 CB ARG A 248 -16.391 -6.367 23.500 1.00 92.88 C +ATOM 1960 O ARG A 248 -14.594 -5.387 20.906 1.00 92.88 O +ATOM 1961 CG ARG A 248 -16.328 -6.262 25.000 1.00 92.88 C +ATOM 1962 CD ARG A 248 -16.625 -7.594 25.672 1.00 92.88 C +ATOM 1963 NE ARG A 248 -16.953 -7.426 27.094 1.00 92.88 N +ATOM 1964 NH1 ARG A 248 -17.656 -9.609 27.391 1.00 92.88 N +ATOM 1965 NH2 ARG A 248 -17.719 -8.125 29.141 1.00 92.88 N +ATOM 1966 CZ ARG A 248 -17.453 -8.383 27.875 1.00 92.88 C +ATOM 1967 N GLU A 249 -16.781 -5.461 20.531 1.00 89.69 N +ATOM 1968 CA GLU A 249 -16.594 -5.770 19.125 1.00 89.69 C +ATOM 1969 C GLU A 249 -15.953 -4.602 18.375 1.00 89.69 C +ATOM 1970 CB GLU A 249 -17.938 -6.121 18.469 1.00 89.69 C +ATOM 1971 O GLU A 249 -15.039 -4.805 17.578 1.00 89.69 O +ATOM 1972 CG GLU A 249 -18.469 -7.496 18.859 1.00 89.69 C +ATOM 1973 CD GLU A 249 -19.797 -7.844 18.188 1.00 89.69 C +ATOM 1974 OE1 GLU A 249 -20.297 -8.977 18.375 1.00 89.69 O +ATOM 1975 OE2 GLU A 249 -20.328 -6.977 17.469 1.00 89.69 O +ATOM 1976 N VAL A 250 -16.469 -3.457 18.719 1.00 89.62 N +ATOM 1977 CA VAL A 250 -15.945 -2.270 18.047 1.00 89.62 C +ATOM 1978 C VAL A 250 -14.500 -2.045 18.469 1.00 89.62 C +ATOM 1979 CB VAL A 250 -16.797 -1.019 18.375 1.00 89.62 C +ATOM 1980 O VAL A 250 -13.648 -1.727 17.641 1.00 89.62 O +ATOM 1981 CG1 VAL A 250 -16.109 0.244 17.859 1.00 89.62 C +ATOM 1982 CG2 VAL A 250 -18.203 -1.155 17.781 1.00 89.62 C +ATOM 1983 N THR A 251 -14.242 -2.229 19.734 1.00 92.50 N +ATOM 1984 CA THR A 251 -12.883 -2.066 20.250 1.00 92.50 C +ATOM 1985 C THR A 251 -11.930 -3.049 19.562 1.00 92.50 C +ATOM 1986 CB THR A 251 -12.836 -2.270 21.766 1.00 92.50 C +ATOM 1987 O THR A 251 -10.836 -2.668 19.141 1.00 92.50 O +ATOM 1988 CG2 THR A 251 -11.414 -2.127 22.297 1.00 92.50 C +ATOM 1989 OG1 THR A 251 -13.664 -1.291 22.406 1.00 92.50 O +ATOM 1990 N ARG A 252 -12.344 -4.258 19.469 1.00 91.38 N +ATOM 1991 CA ARG A 252 -11.547 -5.285 18.797 1.00 91.38 C +ATOM 1992 C ARG A 252 -11.297 -4.922 17.344 1.00 91.38 C +ATOM 1993 CB ARG A 252 -12.242 -6.645 18.891 1.00 91.38 C +ATOM 1994 O ARG A 252 -10.172 -5.043 16.844 1.00 91.38 O +ATOM 1995 CG ARG A 252 -11.438 -7.789 18.297 1.00 91.38 C +ATOM 1996 CD ARG A 252 -12.117 -9.133 18.516 1.00 91.38 C +ATOM 1997 NE ARG A 252 -13.406 -9.203 17.828 1.00 91.38 N +ATOM 1998 NH1 ARG A 252 -13.906 -11.344 18.547 1.00 91.38 N +ATOM 1999 NH2 ARG A 252 -15.367 -10.211 17.188 1.00 91.38 N +ATOM 2000 CZ ARG A 252 -14.227 -10.250 17.859 1.00 91.38 C +ATOM 2001 N MET A 253 -12.297 -4.496 16.688 1.00 89.06 N +ATOM 2002 CA MET A 253 -12.203 -4.105 15.281 1.00 89.06 C +ATOM 2003 C MET A 253 -11.219 -2.961 15.102 1.00 89.06 C +ATOM 2004 CB MET A 253 -13.578 -3.705 14.742 1.00 89.06 C +ATOM 2005 O MET A 253 -10.359 -3.006 14.211 1.00 89.06 O +ATOM 2006 CG MET A 253 -13.562 -3.283 13.281 1.00 89.06 C +ATOM 2007 SD MET A 253 -15.078 -2.359 12.805 1.00 89.06 S +ATOM 2008 CE MET A 253 -14.625 -0.696 13.375 1.00 89.06 C +ATOM 2009 N VAL A 254 -11.305 -1.971 15.922 1.00 90.56 N +ATOM 2010 CA VAL A 254 -10.453 -0.790 15.836 1.00 90.56 C +ATOM 2011 C VAL A 254 -8.992 -1.187 16.078 1.00 90.56 C +ATOM 2012 CB VAL A 254 -10.883 0.296 16.844 1.00 90.56 C +ATOM 2013 O VAL A 254 -8.102 -0.781 15.320 1.00 90.56 O +ATOM 2014 CG1 VAL A 254 -9.805 1.378 16.969 1.00 90.56 C +ATOM 2015 CG2 VAL A 254 -12.219 0.907 16.438 1.00 90.56 C +ATOM 2016 N ILE A 255 -8.750 -2.000 17.062 1.00 91.56 N +ATOM 2017 CA ILE A 255 -7.395 -2.432 17.391 1.00 91.56 C +ATOM 2018 C ILE A 255 -6.793 -3.197 16.219 1.00 91.56 C +ATOM 2019 CB ILE A 255 -7.379 -3.305 18.672 1.00 91.56 C +ATOM 2020 O ILE A 255 -5.664 -2.926 15.805 1.00 91.56 O +ATOM 2021 CG1 ILE A 255 -7.699 -2.455 19.906 1.00 91.56 C +ATOM 2022 CG2 ILE A 255 -6.027 -4.008 18.828 1.00 91.56 C +ATOM 2023 CD1 ILE A 255 -7.871 -3.264 21.188 1.00 91.56 C +ATOM 2024 N LEU A 256 -7.566 -4.086 15.641 1.00 89.81 N +ATOM 2025 CA LEU A 256 -7.102 -4.906 14.523 1.00 89.81 C +ATOM 2026 C LEU A 256 -6.824 -4.043 13.297 1.00 89.81 C +ATOM 2027 CB LEU A 256 -8.133 -5.984 14.180 1.00 89.81 C +ATOM 2028 O LEU A 256 -5.820 -4.242 12.602 1.00 89.81 O +ATOM 2029 CG LEU A 256 -8.250 -7.148 15.164 1.00 89.81 C +ATOM 2030 CD1 LEU A 256 -9.422 -8.047 14.789 1.00 89.81 C +ATOM 2031 CD2 LEU A 256 -6.949 -7.945 15.203 1.00 89.81 C +ATOM 2032 N MET A 257 -7.582 -3.111 13.055 1.00 87.75 N +ATOM 2033 CA MET A 257 -7.449 -2.254 11.875 1.00 87.75 C +ATOM 2034 C MET A 257 -6.234 -1.339 12.008 1.00 87.75 C +ATOM 2035 CB MET A 257 -8.711 -1.418 11.672 1.00 87.75 C +ATOM 2036 O MET A 257 -5.488 -1.153 11.047 1.00 87.75 O +ATOM 2037 CG MET A 257 -9.898 -2.217 11.156 1.00 87.75 C +ATOM 2038 SD MET A 257 -11.383 -1.173 10.875 1.00 87.75 S +ATOM 2039 CE MET A 257 -10.914 -0.368 9.320 1.00 87.75 C +ATOM 2040 N VAL A 258 -6.031 -0.784 13.234 1.00 91.44 N +ATOM 2041 CA VAL A 258 -4.906 0.113 13.469 1.00 91.44 C +ATOM 2042 C VAL A 258 -3.598 -0.669 13.383 1.00 91.44 C +ATOM 2043 CB VAL A 258 -5.020 0.821 14.836 1.00 91.44 C +ATOM 2044 O VAL A 258 -2.654 -0.243 12.719 1.00 91.44 O +ATOM 2045 CG1 VAL A 258 -3.721 1.550 15.180 1.00 91.44 C +ATOM 2046 CG2 VAL A 258 -6.199 1.793 14.836 1.00 91.44 C +ATOM 2047 N ILE A 259 -3.598 -1.782 14.070 1.00 91.88 N +ATOM 2048 CA ILE A 259 -2.406 -2.623 14.023 1.00 91.88 C +ATOM 2049 C ILE A 259 -2.150 -3.086 12.594 1.00 91.88 C +ATOM 2050 CB ILE A 259 -2.543 -3.842 14.969 1.00 91.88 C +ATOM 2051 O ILE A 259 -1.011 -3.070 12.125 1.00 91.88 O +ATOM 2052 CG1 ILE A 259 -2.484 -3.396 16.438 1.00 91.88 C +ATOM 2053 CG2 ILE A 259 -1.457 -4.879 14.664 1.00 91.88 C +ATOM 2054 CD1 ILE A 259 -2.775 -4.508 17.438 1.00 91.88 C +ATOM 2055 N GLY A 260 -3.209 -3.482 11.945 1.00 89.81 N +ATOM 2056 CA GLY A 260 -3.100 -3.871 10.547 1.00 89.81 C +ATOM 2057 C GLY A 260 -2.521 -2.779 9.672 1.00 89.81 C +ATOM 2058 O GLY A 260 -1.644 -3.041 8.844 1.00 89.81 O +ATOM 2059 N TYR A 261 -2.975 -1.589 9.906 1.00 89.12 N +ATOM 2060 CA TYR A 261 -2.473 -0.440 9.164 1.00 89.12 C +ATOM 2061 C TYR A 261 -0.985 -0.231 9.422 1.00 89.12 C +ATOM 2062 CB TYR A 261 -3.250 0.826 9.539 1.00 89.12 C +ATOM 2063 O TYR A 261 -0.201 -0.078 8.477 1.00 89.12 O +ATOM 2064 CG TYR A 261 -2.789 2.061 8.797 1.00 89.12 C +ATOM 2065 CD1 TYR A 261 -1.807 2.889 9.336 1.00 89.12 C +ATOM 2066 CD2 TYR A 261 -3.338 2.402 7.570 1.00 89.12 C +ATOM 2067 CE1 TYR A 261 -1.381 4.031 8.664 1.00 89.12 C +ATOM 2068 CE2 TYR A 261 -2.922 3.539 6.887 1.00 89.12 C +ATOM 2069 OH TYR A 261 -1.526 5.473 6.766 1.00 89.12 O +ATOM 2070 CZ TYR A 261 -1.943 4.348 7.438 1.00 89.12 C +ATOM 2071 N LEU A 262 -0.569 -0.261 10.617 1.00 93.44 N +ATOM 2072 CA LEU A 262 0.814 -0.002 11.008 1.00 93.44 C +ATOM 2073 C LEU A 262 1.739 -1.096 10.484 1.00 93.44 C +ATOM 2074 CB LEU A 262 0.936 0.098 12.531 1.00 93.44 C +ATOM 2075 O LEU A 262 2.826 -0.806 9.977 1.00 93.44 O +ATOM 2076 CG LEU A 262 0.269 1.310 13.180 1.00 93.44 C +ATOM 2077 CD1 LEU A 262 0.374 1.215 14.703 1.00 93.44 C +ATOM 2078 CD2 LEU A 262 0.897 2.604 12.680 1.00 93.44 C +ATOM 2079 N VAL A 263 1.295 -2.281 10.570 1.00 93.31 N +ATOM 2080 CA VAL A 263 2.107 -3.418 10.148 1.00 93.31 C +ATOM 2081 C VAL A 263 2.283 -3.395 8.633 1.00 93.31 C +ATOM 2082 CB VAL A 263 1.478 -4.758 10.594 1.00 93.31 C +ATOM 2083 O VAL A 263 3.361 -3.705 8.117 1.00 93.31 O +ATOM 2084 CG1 VAL A 263 2.139 -5.930 9.867 1.00 93.31 C +ATOM 2085 CG2 VAL A 263 1.593 -4.926 12.102 1.00 93.31 C +ATOM 2086 N CYS A 264 1.321 -2.895 7.934 1.00 92.69 N +ATOM 2087 CA CYS A 264 1.350 -2.947 6.477 1.00 92.69 C +ATOM 2088 C CYS A 264 2.127 -1.768 5.902 1.00 92.69 C +ATOM 2089 CB CYS A 264 -0.071 -2.955 5.914 1.00 92.69 C +ATOM 2090 O CYS A 264 2.898 -1.929 4.957 1.00 92.69 O +ATOM 2091 SG CYS A 264 -0.945 -4.516 6.168 1.00 92.69 S +ATOM 2092 N TRP A 265 2.057 -0.647 6.512 1.00 93.75 N +ATOM 2093 CA TRP A 265 2.539 0.525 5.793 1.00 93.75 C +ATOM 2094 C TRP A 265 3.707 1.175 6.527 1.00 93.75 C +ATOM 2095 CB TRP A 265 1.411 1.542 5.602 1.00 93.75 C +ATOM 2096 O TRP A 265 4.574 1.792 5.906 1.00 93.75 O +ATOM 2097 CG TRP A 265 0.236 1.012 4.836 1.00 93.75 C +ATOM 2098 CD1 TRP A 265 -0.971 0.623 5.344 1.00 93.75 C +ATOM 2099 CD2 TRP A 265 0.160 0.806 3.420 1.00 93.75 C +ATOM 2100 CE2 TRP A 265 -1.125 0.291 3.141 1.00 93.75 C +ATOM 2101 CE3 TRP A 265 1.055 1.009 2.361 1.00 93.75 C +ATOM 2102 NE1 TRP A 265 -1.795 0.189 4.332 1.00 93.75 N +ATOM 2103 CH2 TRP A 265 -0.643 0.183 0.827 1.00 93.75 C +ATOM 2104 CZ2 TRP A 265 -1.537 -0.024 1.845 1.00 93.75 C +ATOM 2105 CZ3 TRP A 265 0.642 0.694 1.071 1.00 93.75 C +ATOM 2106 N LEU A 266 3.760 1.053 7.820 1.00 94.88 N +ATOM 2107 CA LEU A 266 4.746 1.780 8.609 1.00 94.88 C +ATOM 2108 C LEU A 266 6.160 1.285 8.305 1.00 94.88 C +ATOM 2109 CB LEU A 266 4.453 1.632 10.102 1.00 94.88 C +ATOM 2110 O LEU A 266 7.082 2.088 8.148 1.00 94.88 O +ATOM 2111 CG LEU A 266 5.312 2.473 11.047 1.00 94.88 C +ATOM 2112 CD1 LEU A 266 5.188 3.953 10.703 1.00 94.88 C +ATOM 2113 CD2 LEU A 266 4.910 2.223 12.500 1.00 94.88 C +ATOM 2114 N PRO A 267 6.355 0.024 8.164 1.00 97.00 N +ATOM 2115 CA PRO A 267 7.719 -0.424 7.859 1.00 97.00 C +ATOM 2116 C PRO A 267 8.258 0.156 6.555 1.00 97.00 C +ATOM 2117 CB PRO A 267 7.574 -1.945 7.766 1.00 97.00 C +ATOM 2118 O PRO A 267 9.375 0.669 6.516 1.00 97.00 O +ATOM 2119 CG PRO A 267 6.457 -2.283 8.695 1.00 97.00 C +ATOM 2120 CD PRO A 267 5.406 -1.216 8.594 1.00 97.00 C +ATOM 2121 N TYR A 268 7.469 0.058 5.492 1.00 95.69 N +ATOM 2122 CA TYR A 268 7.875 0.591 4.195 1.00 95.69 C +ATOM 2123 C TYR A 268 8.078 2.100 4.266 1.00 95.69 C +ATOM 2124 CB TYR A 268 6.832 0.253 3.125 1.00 95.69 C +ATOM 2125 O TYR A 268 9.086 2.621 3.793 1.00 95.69 O +ATOM 2126 CG TYR A 268 7.258 0.624 1.725 1.00 95.69 C +ATOM 2127 CD1 TYR A 268 6.883 1.842 1.162 1.00 95.69 C +ATOM 2128 CD2 TYR A 268 8.031 -0.243 0.963 1.00 95.69 C +ATOM 2129 CE1 TYR A 268 7.273 2.188 -0.128 1.00 95.69 C +ATOM 2130 CE2 TYR A 268 8.430 0.092 -0.328 1.00 95.69 C +ATOM 2131 OH TYR A 268 8.430 1.645 -2.143 1.00 95.69 O +ATOM 2132 CZ TYR A 268 8.047 1.308 -0.864 1.00 95.69 C +ATOM 2133 N ALA A 269 7.207 2.762 4.906 1.00 96.06 N +ATOM 2134 CA ALA A 269 7.289 4.215 5.020 1.00 96.06 C +ATOM 2135 C ALA A 269 8.531 4.633 5.805 1.00 96.06 C +ATOM 2136 CB ALA A 269 6.031 4.770 5.688 1.00 96.06 C +ATOM 2137 O ALA A 269 9.195 5.609 5.449 1.00 96.06 O +ATOM 2138 N SER A 270 8.812 3.930 6.836 1.00 96.19 N +ATOM 2139 CA SER A 270 9.953 4.246 7.695 1.00 96.19 C +ATOM 2140 C SER A 270 11.273 4.090 6.949 1.00 96.19 C +ATOM 2141 CB SER A 270 9.945 3.352 8.938 1.00 96.19 C +ATOM 2142 O SER A 270 12.141 4.961 7.020 1.00 96.19 O +ATOM 2143 OG SER A 270 8.797 3.588 9.727 1.00 96.19 O +ATOM 2144 N VAL A 271 11.367 3.020 6.270 1.00 95.31 N +ATOM 2145 CA VAL A 271 12.594 2.756 5.523 1.00 95.31 C +ATOM 2146 C VAL A 271 12.734 3.771 4.395 1.00 95.31 C +ATOM 2147 CB VAL A 271 12.609 1.319 4.957 1.00 95.31 C +ATOM 2148 O VAL A 271 13.828 4.293 4.152 1.00 95.31 O +ATOM 2149 CG1 VAL A 271 13.750 1.154 3.953 1.00 95.31 C +ATOM 2150 CG2 VAL A 271 12.742 0.301 6.086 1.00 95.31 C +ATOM 2151 N ALA A 272 11.641 4.031 3.703 1.00 95.38 N +ATOM 2152 CA ALA A 272 11.672 5.035 2.639 1.00 95.38 C +ATOM 2153 C ALA A 272 12.141 6.387 3.172 1.00 95.38 C +ATOM 2154 CB ALA A 272 10.297 5.168 1.992 1.00 95.38 C +ATOM 2155 O ALA A 272 12.969 7.059 2.545 1.00 95.38 O +ATOM 2156 N TRP A 273 11.609 6.723 4.324 1.00 96.56 N +ATOM 2157 CA TRP A 273 11.977 7.992 4.941 1.00 96.56 C +ATOM 2158 C TRP A 273 13.445 7.992 5.359 1.00 96.56 C +ATOM 2159 CB TRP A 273 11.086 8.273 6.152 1.00 96.56 C +ATOM 2160 O TRP A 273 14.148 8.984 5.164 1.00 96.56 O +ATOM 2161 CG TRP A 273 11.328 9.617 6.785 1.00 96.56 C +ATOM 2162 CD1 TRP A 273 11.977 9.867 7.961 1.00 96.56 C +ATOM 2163 CD2 TRP A 273 10.914 10.891 6.277 1.00 96.56 C +ATOM 2164 CE2 TRP A 273 11.352 11.867 7.199 1.00 96.56 C +ATOM 2165 CE3 TRP A 273 10.219 11.297 5.133 1.00 96.56 C +ATOM 2166 NE1 TRP A 273 12.000 11.219 8.211 1.00 96.56 N +ATOM 2167 CH2 TRP A 273 10.430 13.602 5.879 1.00 96.56 C +ATOM 2168 CZ2 TRP A 273 11.117 13.227 7.008 1.00 96.56 C +ATOM 2169 CZ3 TRP A 273 9.984 12.648 4.945 1.00 96.56 C +ATOM 2170 N PHE A 274 13.828 6.941 5.910 1.00 95.44 N +ATOM 2171 CA PHE A 274 15.219 6.824 6.332 1.00 95.44 C +ATOM 2172 C PHE A 274 16.156 7.008 5.148 1.00 95.44 C +ATOM 2173 CB PHE A 274 15.469 5.465 6.992 1.00 95.44 C +ATOM 2174 O PHE A 274 17.125 7.766 5.230 1.00 95.44 O +ATOM 2175 CG PHE A 274 16.906 5.223 7.359 1.00 95.44 C +ATOM 2176 CD1 PHE A 274 17.734 4.492 6.520 1.00 95.44 C +ATOM 2177 CD2 PHE A 274 17.422 5.727 8.547 1.00 95.44 C +ATOM 2178 CE1 PHE A 274 19.078 4.270 6.855 1.00 95.44 C +ATOM 2179 CE2 PHE A 274 18.750 5.508 8.891 1.00 95.44 C +ATOM 2180 CZ PHE A 274 19.578 4.777 8.039 1.00 95.44 C +ATOM 2181 N ILE A 275 15.891 6.312 4.070 1.00 93.12 N +ATOM 2182 CA ILE A 275 16.719 6.395 2.873 1.00 93.12 C +ATOM 2183 C ILE A 275 16.719 7.832 2.350 1.00 93.12 C +ATOM 2184 CB ILE A 275 16.219 5.430 1.776 1.00 93.12 C +ATOM 2185 O ILE A 275 17.766 8.344 1.948 1.00 93.12 O +ATOM 2186 CG1 ILE A 275 16.469 3.975 2.195 1.00 93.12 C +ATOM 2187 CG2 ILE A 275 16.906 5.738 0.438 1.00 93.12 C +ATOM 2188 CD1 ILE A 275 15.805 2.947 1.288 1.00 93.12 C +ATOM 2189 N PHE A 276 15.633 8.430 2.461 1.00 93.94 N +ATOM 2190 CA PHE A 276 15.469 9.797 1.981 1.00 93.94 C +ATOM 2191 C PHE A 276 16.312 10.766 2.809 1.00 93.94 C +ATOM 2192 CB PHE A 276 13.992 10.211 2.025 1.00 93.94 C +ATOM 2193 O PHE A 276 16.984 11.625 2.256 1.00 93.94 O +ATOM 2194 CG PHE A 276 13.773 11.688 1.838 1.00 93.94 C +ATOM 2195 CD1 PHE A 276 13.266 12.461 2.875 1.00 93.94 C +ATOM 2196 CD2 PHE A 276 14.062 12.297 0.625 1.00 93.94 C +ATOM 2197 CE1 PHE A 276 13.062 13.828 2.703 1.00 93.94 C +ATOM 2198 CE2 PHE A 276 13.859 13.664 0.448 1.00 93.94 C +ATOM 2199 CZ PHE A 276 13.359 14.430 1.487 1.00 93.94 C +ATOM 2200 N THR A 277 16.375 10.648 4.121 1.00 94.50 N +ATOM 2201 CA THR A 277 17.047 11.602 5.000 1.00 94.50 C +ATOM 2202 C THR A 277 18.516 11.266 5.137 1.00 94.50 C +ATOM 2203 CB THR A 277 16.391 11.633 6.391 1.00 94.50 C +ATOM 2204 O THR A 277 19.328 12.125 5.496 1.00 94.50 O +ATOM 2205 CG2 THR A 277 14.961 12.164 6.320 1.00 94.50 C +ATOM 2206 OG1 THR A 277 16.359 10.305 6.930 1.00 94.50 O +ATOM 2207 N HIS A 278 18.906 10.094 4.836 1.00 91.81 N +ATOM 2208 CA HIS A 278 20.281 9.641 4.988 1.00 91.81 C +ATOM 2209 C HIS A 278 20.891 9.273 3.639 1.00 91.81 C +ATOM 2210 CB HIS A 278 20.359 8.453 5.945 1.00 91.81 C +ATOM 2211 O HIS A 278 21.297 8.125 3.430 1.00 91.81 O +ATOM 2212 CG HIS A 278 19.969 8.781 7.348 1.00 91.81 C +ATOM 2213 CD2 HIS A 278 20.703 8.930 8.469 1.00 91.81 C +ATOM 2214 ND1 HIS A 278 18.656 9.008 7.723 1.00 91.81 N +ATOM 2215 CE1 HIS A 278 18.609 9.273 9.016 1.00 91.81 C +ATOM 2216 NE2 HIS A 278 19.844 9.234 9.492 1.00 91.81 N +ATOM 2217 N GLN A 279 21.000 10.312 2.744 1.00 85.44 N +ATOM 2218 CA GLN A 279 21.578 10.070 1.421 1.00 85.44 C +ATOM 2219 C GLN A 279 23.031 9.656 1.517 1.00 85.44 C +ATOM 2220 CB GLN A 279 21.438 11.312 0.543 1.00 85.44 C +ATOM 2221 O GLN A 279 23.812 10.258 2.260 1.00 85.44 O +ATOM 2222 CG GLN A 279 20.000 11.633 0.143 1.00 85.44 C +ATOM 2223 CD GLN A 279 19.438 10.633 -0.848 1.00 85.44 C +ATOM 2224 NE2 GLN A 279 18.266 10.086 -0.533 1.00 85.44 N +ATOM 2225 OE1 GLN A 279 20.047 10.359 -1.888 1.00 85.44 O +ATOM 2226 N GLY A 280 23.297 8.625 0.982 1.00 79.19 N +ATOM 2227 CA GLY A 280 24.672 8.141 0.967 1.00 79.19 C +ATOM 2228 C GLY A 280 24.891 6.977 1.909 1.00 79.19 C +ATOM 2229 O GLY A 280 26.000 6.434 1.975 1.00 79.19 O +ATOM 2230 N SER A 281 23.875 6.695 2.760 1.00 83.62 N +ATOM 2231 CA SER A 281 24.016 5.578 3.688 1.00 83.62 C +ATOM 2232 C SER A 281 24.094 4.250 2.945 1.00 83.62 C +ATOM 2233 CB SER A 281 22.844 5.551 4.672 1.00 83.62 C +ATOM 2234 O SER A 281 23.594 4.121 1.831 1.00 83.62 O +ATOM 2235 OG SER A 281 21.625 5.375 3.990 1.00 83.62 O +ATOM 2236 N GLU A 282 24.844 3.342 3.553 1.00 80.25 N +ATOM 2237 CA GLU A 282 24.969 2.002 2.986 1.00 80.25 C +ATOM 2238 C GLU A 282 23.844 1.091 3.471 1.00 80.25 C +ATOM 2239 CB GLU A 282 26.328 1.393 3.340 1.00 80.25 C +ATOM 2240 O GLU A 282 23.625 0.965 4.676 1.00 80.25 O +ATOM 2241 CG GLU A 282 27.516 2.125 2.721 1.00 80.25 C +ATOM 2242 CD GLU A 282 28.844 1.447 2.988 1.00 80.25 C +ATOM 2243 OE1 GLU A 282 29.875 1.912 2.459 1.00 80.25 O +ATOM 2244 OE2 GLU A 282 28.859 0.441 3.732 1.00 80.25 O +ATOM 2245 N PHE A 283 23.078 0.593 2.574 1.00 85.94 N +ATOM 2246 CA PHE A 283 22.078 -0.412 2.891 1.00 85.94 C +ATOM 2247 C PHE A 283 22.000 -1.463 1.790 1.00 85.94 C +ATOM 2248 CB PHE A 283 20.703 0.244 3.092 1.00 85.94 C +ATOM 2249 O PHE A 283 22.328 -1.188 0.636 1.00 85.94 O +ATOM 2250 CG PHE A 283 20.281 1.135 1.954 1.00 85.94 C +ATOM 2251 CD1 PHE A 283 20.547 2.500 1.992 1.00 85.94 C +ATOM 2252 CD2 PHE A 283 19.641 0.606 0.845 1.00 85.94 C +ATOM 2253 CE1 PHE A 283 20.156 3.328 0.940 1.00 85.94 C +ATOM 2254 CE2 PHE A 283 19.250 1.427 -0.209 1.00 85.94 C +ATOM 2255 CZ PHE A 283 19.500 2.787 -0.159 1.00 85.94 C +ATOM 2256 N GLY A 284 21.688 -2.568 2.086 1.00 87.44 N +ATOM 2257 CA GLY A 284 21.609 -3.666 1.136 1.00 87.44 C +ATOM 2258 C GLY A 284 20.234 -3.779 0.484 1.00 87.44 C +ATOM 2259 O GLY A 284 19.281 -3.125 0.911 1.00 87.44 O +ATOM 2260 N PRO A 285 20.109 -4.586 -0.598 1.00 89.38 N +ATOM 2261 CA PRO A 285 18.875 -4.750 -1.370 1.00 89.38 C +ATOM 2262 C PRO A 285 17.719 -5.273 -0.524 1.00 89.38 C +ATOM 2263 CB PRO A 285 19.266 -5.766 -2.447 1.00 89.38 C +ATOM 2264 O PRO A 285 16.562 -4.961 -0.803 1.00 89.38 O +ATOM 2265 CG PRO A 285 20.469 -6.465 -1.895 1.00 89.38 C +ATOM 2266 CD PRO A 285 21.234 -5.500 -1.034 1.00 89.38 C +ATOM 2267 N LEU A 286 17.984 -5.906 0.552 1.00 91.56 N +ATOM 2268 CA LEU A 286 16.906 -6.492 1.356 1.00 91.56 C +ATOM 2269 C LEU A 286 16.312 -5.457 2.307 1.00 91.56 C +ATOM 2270 CB LEU A 286 17.438 -7.691 2.152 1.00 91.56 C +ATOM 2271 O LEU A 286 15.203 -5.633 2.805 1.00 91.56 O +ATOM 2272 CG LEU A 286 17.844 -8.922 1.337 1.00 91.56 C +ATOM 2273 CD1 LEU A 286 18.312 -10.039 2.262 1.00 91.56 C +ATOM 2274 CD2 LEU A 286 16.688 -9.391 0.464 1.00 91.56 C +ATOM 2275 N PHE A 287 17.000 -4.383 2.504 1.00 91.50 N +ATOM 2276 CA PHE A 287 16.594 -3.322 3.420 1.00 91.50 C +ATOM 2277 C PHE A 287 15.273 -2.703 2.986 1.00 91.50 C +ATOM 2278 CB PHE A 287 17.672 -2.242 3.504 1.00 91.50 C +ATOM 2279 O PHE A 287 14.438 -2.355 3.824 1.00 91.50 O +ATOM 2280 CG PHE A 287 17.422 -1.211 4.570 1.00 91.50 C +ATOM 2281 CD1 PHE A 287 17.312 0.135 4.246 1.00 91.50 C +ATOM 2282 CD2 PHE A 287 17.297 -1.589 5.902 1.00 91.50 C +ATOM 2283 CE1 PHE A 287 17.078 1.091 5.230 1.00 91.50 C +ATOM 2284 CE2 PHE A 287 17.062 -0.639 6.895 1.00 91.50 C +ATOM 2285 CZ PHE A 287 16.953 0.700 6.555 1.00 91.50 C +ATOM 2286 N MET A 288 15.023 -2.576 1.647 1.00 88.75 N +ATOM 2287 CA MET A 288 13.758 -2.049 1.141 1.00 88.75 C +ATOM 2288 C MET A 288 12.820 -3.180 0.726 1.00 88.75 C +ATOM 2289 CB MET A 288 14.000 -1.110 -0.042 1.00 88.75 C +ATOM 2290 O MET A 288 11.602 -3.033 0.779 1.00 88.75 O +ATOM 2291 CG MET A 288 12.750 -0.409 -0.537 1.00 88.75 C +ATOM 2292 SD MET A 288 12.094 0.804 0.676 1.00 88.75 S +ATOM 2293 CE MET A 288 10.562 1.302 -0.161 1.00 88.75 C +ATOM 2294 N THR A 289 13.375 -4.352 0.362 1.00 92.69 N +ATOM 2295 CA THR A 289 12.570 -5.457 -0.146 1.00 92.69 C +ATOM 2296 C THR A 289 11.680 -6.027 0.953 1.00 92.69 C +ATOM 2297 CB THR A 289 13.461 -6.578 -0.718 1.00 92.69 C +ATOM 2298 O THR A 289 10.477 -6.227 0.745 1.00 92.69 O +ATOM 2299 CG2 THR A 289 12.617 -7.742 -1.230 1.00 92.69 C +ATOM 2300 OG1 THR A 289 14.242 -6.055 -1.800 1.00 92.69 O +ATOM 2301 N ILE A 290 12.203 -6.160 2.131 1.00 94.00 N +ATOM 2302 CA ILE A 290 11.484 -6.828 3.211 1.00 94.00 C +ATOM 2303 C ILE A 290 10.305 -5.965 3.658 1.00 94.00 C +ATOM 2304 CB ILE A 290 12.414 -7.129 4.406 1.00 94.00 C +ATOM 2305 O ILE A 290 9.172 -6.445 3.742 1.00 94.00 O +ATOM 2306 CG1 ILE A 290 13.406 -8.242 4.047 1.00 94.00 C +ATOM 2307 CG2 ILE A 290 11.602 -7.500 5.648 1.00 94.00 C +ATOM 2308 CD1 ILE A 290 14.445 -8.523 5.129 1.00 94.00 C +ATOM 2309 N PRO A 291 10.539 -4.715 3.926 1.00 95.12 N +ATOM 2310 CA PRO A 291 9.391 -3.896 4.312 1.00 95.12 C +ATOM 2311 C PRO A 291 8.328 -3.814 3.219 1.00 95.12 C +ATOM 2312 CB PRO A 291 10.008 -2.521 4.578 1.00 95.12 C +ATOM 2313 O PRO A 291 7.145 -3.623 3.514 1.00 95.12 O +ATOM 2314 CG PRO A 291 11.414 -2.812 5.000 1.00 95.12 C +ATOM 2315 CD PRO A 291 11.914 -3.988 4.215 1.00 95.12 C +ATOM 2316 N ALA A 292 8.719 -3.920 1.963 1.00 94.50 N +ATOM 2317 CA ALA A 292 7.770 -3.904 0.850 1.00 94.50 C +ATOM 2318 C ALA A 292 6.816 -5.090 0.925 1.00 94.50 C +ATOM 2319 CB ALA A 292 8.516 -3.908 -0.482 1.00 94.50 C +ATOM 2320 O ALA A 292 5.668 -5.004 0.482 1.00 94.50 O +ATOM 2321 N PHE A 293 7.258 -6.191 1.557 1.00 93.56 N +ATOM 2322 CA PHE A 293 6.410 -7.367 1.720 1.00 93.56 C +ATOM 2323 C PHE A 293 5.191 -7.043 2.574 1.00 93.56 C +ATOM 2324 CB PHE A 293 7.203 -8.516 2.350 1.00 93.56 C +ATOM 2325 O PHE A 293 4.082 -7.492 2.277 1.00 93.56 O +ATOM 2326 CG PHE A 293 8.164 -9.180 1.402 1.00 93.56 C +ATOM 2327 CD1 PHE A 293 8.305 -8.727 0.099 1.00 93.56 C +ATOM 2328 CD2 PHE A 293 8.930 -10.266 1.816 1.00 93.56 C +ATOM 2329 CE1 PHE A 293 9.195 -9.336 -0.780 1.00 93.56 C +ATOM 2330 CE2 PHE A 293 9.820 -10.883 0.944 1.00 93.56 C +ATOM 2331 CZ PHE A 293 9.953 -10.422 -0.354 1.00 93.56 C +ATOM 2332 N PHE A 294 5.445 -6.273 3.570 1.00 94.19 N +ATOM 2333 CA PHE A 294 4.363 -5.922 4.484 1.00 94.19 C +ATOM 2334 C PHE A 294 3.320 -5.062 3.785 1.00 94.19 C +ATOM 2335 CB PHE A 294 4.914 -5.188 5.711 1.00 94.19 C +ATOM 2336 O PHE A 294 2.117 -5.285 3.943 1.00 94.19 O +ATOM 2337 CG PHE A 294 5.680 -6.074 6.656 1.00 94.19 C +ATOM 2338 CD1 PHE A 294 5.031 -6.727 7.699 1.00 94.19 C +ATOM 2339 CD2 PHE A 294 7.047 -6.254 6.504 1.00 94.19 C +ATOM 2340 CE1 PHE A 294 5.738 -7.547 8.578 1.00 94.19 C +ATOM 2341 CE2 PHE A 294 7.758 -7.074 7.379 1.00 94.19 C +ATOM 2342 CZ PHE A 294 7.102 -7.719 8.414 1.00 94.19 C +ATOM 2343 N ALA A 295 3.779 -4.164 3.018 1.00 94.12 N +ATOM 2344 CA ALA A 295 2.855 -3.289 2.299 1.00 94.12 C +ATOM 2345 C ALA A 295 2.029 -4.078 1.288 1.00 94.12 C +ATOM 2346 CB ALA A 295 3.621 -2.170 1.597 1.00 94.12 C +ATOM 2347 O ALA A 295 0.810 -3.912 1.208 1.00 94.12 O +ATOM 2348 N LYS A 296 2.645 -4.992 0.657 1.00 94.44 N +ATOM 2349 CA LYS A 296 1.985 -5.766 -0.391 1.00 94.44 C +ATOM 2350 C LYS A 296 1.006 -6.777 0.203 1.00 94.44 C +ATOM 2351 CB LYS A 296 3.020 -6.488 -1.257 1.00 94.44 C +ATOM 2352 O LYS A 296 0.013 -7.133 -0.433 1.00 94.44 O +ATOM 2353 CG LYS A 296 3.893 -5.555 -2.084 1.00 94.44 C +ATOM 2354 CD LYS A 296 4.887 -6.332 -2.939 1.00 94.44 C +ATOM 2355 CE LYS A 296 5.812 -5.398 -3.707 1.00 94.44 C +ATOM 2356 NZ LYS A 296 5.055 -4.492 -4.621 1.00 94.44 N +ATOM 2357 N SER A 297 1.227 -7.188 1.396 1.00 94.00 N +ATOM 2358 CA SER A 297 0.384 -8.188 2.045 1.00 94.00 C +ATOM 2359 C SER A 297 -0.960 -7.594 2.453 1.00 94.00 C +ATOM 2360 CB SER A 297 1.088 -8.766 3.271 1.00 94.00 C +ATOM 2361 O SER A 297 -1.909 -8.328 2.732 1.00 94.00 O +ATOM 2362 OG SER A 297 1.384 -7.750 4.211 1.00 94.00 O +ATOM 2363 N SER A 298 -1.044 -6.328 2.359 1.00 93.31 N +ATOM 2364 CA SER A 298 -2.295 -5.664 2.711 1.00 93.31 C +ATOM 2365 C SER A 298 -3.422 -6.074 1.771 1.00 93.31 C +ATOM 2366 CB SER A 298 -2.119 -4.145 2.682 1.00 93.31 C +ATOM 2367 O SER A 298 -4.598 -5.953 2.115 1.00 93.31 O +ATOM 2368 OG SER A 298 -1.894 -3.691 1.358 1.00 93.31 O +ATOM 2369 N SER A 299 -3.066 -6.527 0.627 1.00 93.94 N +ATOM 2370 CA SER A 299 -4.062 -6.938 -0.357 1.00 93.94 C +ATOM 2371 C SER A 299 -4.836 -8.164 0.118 1.00 93.94 C +ATOM 2372 CB SER A 299 -3.398 -7.234 -1.701 1.00 93.94 C +ATOM 2373 O SER A 299 -5.910 -8.469 -0.406 1.00 93.94 O +ATOM 2374 OG SER A 299 -2.553 -8.367 -1.605 1.00 93.94 O +ATOM 2375 N ILE A 300 -4.312 -8.812 1.142 1.00 93.50 N +ATOM 2376 CA ILE A 300 -4.953 -9.992 1.704 1.00 93.50 C +ATOM 2377 C ILE A 300 -5.527 -9.664 3.080 1.00 93.50 C +ATOM 2378 CB ILE A 300 -3.965 -11.180 1.807 1.00 93.50 C +ATOM 2379 O ILE A 300 -6.680 -9.992 3.371 1.00 93.50 O +ATOM 2380 CG1 ILE A 300 -3.514 -11.617 0.409 1.00 93.50 C +ATOM 2381 CG2 ILE A 300 -4.598 -12.344 2.572 1.00 93.50 C +ATOM 2382 CD1 ILE A 300 -2.428 -12.680 0.418 1.00 93.50 C +ATOM 2383 N TYR A 301 -4.777 -9.031 3.912 1.00 88.81 N +ATOM 2384 CA TYR A 301 -5.125 -8.789 5.309 1.00 88.81 C +ATOM 2385 C TYR A 301 -6.398 -7.961 5.418 1.00 88.81 C +ATOM 2386 CB TYR A 301 -3.975 -8.086 6.031 1.00 88.81 C +ATOM 2387 O TYR A 301 -7.301 -8.297 6.188 1.00 88.81 O +ATOM 2388 CG TYR A 301 -2.793 -8.977 6.312 1.00 88.81 C +ATOM 2389 CD1 TYR A 301 -2.963 -10.227 6.906 1.00 88.81 C +ATOM 2390 CD2 TYR A 301 -1.502 -8.578 5.980 1.00 88.81 C +ATOM 2391 CE1 TYR A 301 -1.875 -11.055 7.172 1.00 88.81 C +ATOM 2392 CE2 TYR A 301 -0.407 -9.398 6.238 1.00 88.81 C +ATOM 2393 OH TYR A 301 0.477 -11.445 7.090 1.00 88.81 O +ATOM 2394 CZ TYR A 301 -0.604 -10.633 6.832 1.00 88.81 C +ATOM 2395 N ASN A 302 -6.453 -6.957 4.547 1.00 88.56 N +ATOM 2396 CA ASN A 302 -7.570 -6.027 4.664 1.00 88.56 C +ATOM 2397 C ASN A 302 -8.906 -6.715 4.383 1.00 88.56 C +ATOM 2398 CB ASN A 302 -7.379 -4.836 3.721 1.00 88.56 C +ATOM 2399 O ASN A 302 -9.836 -6.625 5.188 1.00 88.56 O +ATOM 2400 CG ASN A 302 -6.277 -3.900 4.180 1.00 88.56 C +ATOM 2401 ND2 ASN A 302 -5.809 -3.049 3.275 1.00 88.56 N +ATOM 2402 OD1 ASN A 302 -5.855 -3.941 5.340 1.00 88.56 O +ATOM 2403 N PRO A 303 -8.977 -7.371 3.309 1.00 87.88 N +ATOM 2404 CA PRO A 303 -10.234 -8.062 3.025 1.00 87.88 C +ATOM 2405 C PRO A 303 -10.562 -9.141 4.059 1.00 87.88 C +ATOM 2406 CB PRO A 303 -9.992 -8.688 1.647 1.00 87.88 C +ATOM 2407 O PRO A 303 -11.727 -9.305 4.434 1.00 87.88 O +ATOM 2408 CG PRO A 303 -8.945 -7.828 1.020 1.00 87.88 C +ATOM 2409 CD PRO A 303 -8.055 -7.293 2.105 1.00 87.88 C +ATOM 2410 N VAL A 304 -9.570 -9.836 4.484 1.00 88.19 N +ATOM 2411 CA VAL A 304 -9.781 -10.906 5.457 1.00 88.19 C +ATOM 2412 C VAL A 304 -10.344 -10.320 6.750 1.00 88.19 C +ATOM 2413 CB VAL A 304 -8.469 -11.672 5.742 1.00 88.19 C +ATOM 2414 O VAL A 304 -11.297 -10.859 7.312 1.00 88.19 O +ATOM 2415 CG1 VAL A 304 -8.625 -12.570 6.969 1.00 88.19 C +ATOM 2416 CG2 VAL A 304 -8.055 -12.492 4.523 1.00 88.19 C +ATOM 2417 N ILE A 305 -9.727 -9.305 7.215 1.00 84.75 N +ATOM 2418 CA ILE A 305 -10.195 -8.664 8.438 1.00 84.75 C +ATOM 2419 C ILE A 305 -11.641 -8.203 8.266 1.00 84.75 C +ATOM 2420 CB ILE A 305 -9.289 -7.465 8.820 1.00 84.75 C +ATOM 2421 O ILE A 305 -12.484 -8.445 9.133 1.00 84.75 O +ATOM 2422 CG1 ILE A 305 -7.910 -7.957 9.266 1.00 84.75 C +ATOM 2423 CG2 ILE A 305 -9.953 -6.621 9.914 1.00 84.75 C +ATOM 2424 CD1 ILE A 305 -6.898 -6.840 9.484 1.00 84.75 C +ATOM 2425 N TYR A 306 -11.922 -7.789 7.152 1.00 79.12 N +ATOM 2426 CA TYR A 306 -13.258 -7.242 6.941 1.00 79.12 C +ATOM 2427 C TYR A 306 -14.281 -8.359 6.789 1.00 79.12 C +ATOM 2428 CB TYR A 306 -13.281 -6.336 5.707 1.00 79.12 C +ATOM 2429 O TYR A 306 -15.383 -8.281 7.348 1.00 79.12 O +ATOM 2430 CG TYR A 306 -12.797 -4.934 5.973 1.00 79.12 C +ATOM 2431 CD1 TYR A 306 -13.602 -4.012 6.633 1.00 79.12 C +ATOM 2432 CD2 TYR A 306 -11.531 -4.527 5.566 1.00 79.12 C +ATOM 2433 CE1 TYR A 306 -13.164 -2.715 6.879 1.00 79.12 C +ATOM 2434 CE2 TYR A 306 -11.078 -3.232 5.809 1.00 79.12 C +ATOM 2435 OH TYR A 306 -11.453 -1.055 6.707 1.00 79.12 O +ATOM 2436 CZ TYR A 306 -11.898 -2.336 6.465 1.00 79.12 C +ATOM 2437 N ILE A 307 -13.945 -9.273 6.035 1.00 83.31 N +ATOM 2438 CA ILE A 307 -14.836 -10.406 5.816 1.00 83.31 C +ATOM 2439 C ILE A 307 -15.117 -11.102 7.141 1.00 83.31 C +ATOM 2440 CB ILE A 307 -14.250 -11.406 4.797 1.00 83.31 C +ATOM 2441 O ILE A 307 -16.266 -11.445 7.441 1.00 83.31 O +ATOM 2442 CG1 ILE A 307 -14.234 -10.789 3.391 1.00 83.31 C +ATOM 2443 CG2 ILE A 307 -15.031 -12.719 4.809 1.00 83.31 C +ATOM 2444 CD1 ILE A 307 -13.414 -11.578 2.377 1.00 83.31 C +ATOM 2445 N CYS A 308 -14.125 -11.180 7.934 1.00 81.94 N +ATOM 2446 CA CYS A 308 -14.258 -11.914 9.188 1.00 81.94 C +ATOM 2447 C CYS A 308 -15.023 -11.094 10.219 1.00 81.94 C +ATOM 2448 CB CYS A 308 -12.875 -12.273 9.742 1.00 81.94 C +ATOM 2449 O CYS A 308 -15.719 -11.656 11.070 1.00 81.94 O +ATOM 2450 SG CYS A 308 -12.023 -13.555 8.797 1.00 81.94 S +ATOM 2451 N MET A 309 -15.031 -9.852 10.000 1.00 76.88 N +ATOM 2452 CA MET A 309 -15.641 -8.992 11.016 1.00 76.88 C +ATOM 2453 C MET A 309 -17.078 -8.641 10.641 1.00 76.88 C +ATOM 2454 CB MET A 309 -14.820 -7.715 11.195 1.00 76.88 C +ATOM 2455 O MET A 309 -17.844 -8.195 11.484 1.00 76.88 O +ATOM 2456 CG MET A 309 -13.469 -7.938 11.859 1.00 76.88 C +ATOM 2457 SD MET A 309 -12.531 -6.375 12.094 1.00 76.88 S +ATOM 2458 CE MET A 309 -13.516 -5.613 13.414 1.00 76.88 C +ATOM 2459 N ASN A 310 -17.438 -8.859 9.344 1.00 81.44 N +ATOM 2460 CA ASN A 310 -18.781 -8.578 8.852 1.00 81.44 C +ATOM 2461 C ASN A 310 -19.609 -9.852 8.695 1.00 81.44 C +ATOM 2462 CB ASN A 310 -18.719 -7.816 7.527 1.00 81.44 C +ATOM 2463 O ASN A 310 -19.484 -10.555 7.691 1.00 81.44 O +ATOM 2464 CG ASN A 310 -20.062 -7.223 7.129 1.00 81.44 C +ATOM 2465 ND2 ASN A 310 -20.031 -6.062 6.484 1.00 81.44 N +ATOM 2466 OD1 ASN A 310 -21.109 -7.801 7.398 1.00 81.44 O +ATOM 2467 N LYS A 311 -20.328 -10.117 9.734 1.00 83.06 N +ATOM 2468 CA LYS A 311 -21.094 -11.359 9.773 1.00 83.06 C +ATOM 2469 C LYS A 311 -22.016 -11.469 8.562 1.00 83.06 C +ATOM 2470 CB LYS A 311 -21.906 -11.461 11.070 1.00 83.06 C +ATOM 2471 O LYS A 311 -22.156 -12.547 7.980 1.00 83.06 O +ATOM 2472 CG LYS A 311 -21.062 -11.781 12.297 1.00 83.06 C +ATOM 2473 CD LYS A 311 -21.938 -11.930 13.539 1.00 83.06 C +ATOM 2474 CE LYS A 311 -21.094 -12.156 14.789 1.00 83.06 C +ATOM 2475 NZ LYS A 311 -21.938 -12.344 16.000 1.00 83.06 N +ATOM 2476 N GLN A 312 -22.656 -10.352 8.266 1.00 86.62 N +ATOM 2477 CA GLN A 312 -23.562 -10.312 7.129 1.00 86.62 C +ATOM 2478 C GLN A 312 -22.844 -10.695 5.840 1.00 86.62 C +ATOM 2479 CB GLN A 312 -24.203 -8.930 6.992 1.00 86.62 C +ATOM 2480 O GLN A 312 -23.359 -11.492 5.051 1.00 86.62 O +ATOM 2481 CG GLN A 312 -25.234 -8.828 5.875 1.00 86.62 C +ATOM 2482 CD GLN A 312 -25.875 -7.461 5.793 1.00 86.62 C +ATOM 2483 NE2 GLN A 312 -26.922 -7.348 4.992 1.00 86.62 N +ATOM 2484 OE1 GLN A 312 -25.422 -6.508 6.445 1.00 86.62 O +ATOM 2485 N PHE A 313 -21.688 -10.086 5.715 1.00 87.81 N +ATOM 2486 CA PHE A 313 -20.906 -10.375 4.516 1.00 87.81 C +ATOM 2487 C PHE A 313 -20.469 -11.836 4.492 1.00 87.81 C +ATOM 2488 CB PHE A 313 -19.688 -9.461 4.434 1.00 87.81 C +ATOM 2489 O PHE A 313 -20.578 -12.508 3.465 1.00 87.81 O +ATOM 2490 CG PHE A 313 -18.969 -9.500 3.105 1.00 87.81 C +ATOM 2491 CD1 PHE A 313 -18.016 -10.469 2.844 1.00 87.81 C +ATOM 2492 CD2 PHE A 313 -19.281 -8.570 2.117 1.00 87.81 C +ATOM 2493 CE1 PHE A 313 -17.359 -10.516 1.615 1.00 87.81 C +ATOM 2494 CE2 PHE A 313 -18.625 -8.609 0.887 1.00 87.81 C +ATOM 2495 CZ PHE A 313 -17.672 -9.578 0.638 1.00 87.81 C +ATOM 2496 N ARG A 314 -20.016 -12.328 5.586 1.00 88.44 N +ATOM 2497 CA ARG A 314 -19.547 -13.703 5.703 1.00 88.44 C +ATOM 2498 C ARG A 314 -20.641 -14.695 5.344 1.00 88.44 C +ATOM 2499 CB ARG A 314 -19.031 -13.977 7.117 1.00 88.44 C +ATOM 2500 O ARG A 314 -20.422 -15.641 4.590 1.00 88.44 O +ATOM 2501 CG ARG A 314 -18.422 -15.359 7.293 1.00 88.44 C +ATOM 2502 CD ARG A 314 -17.797 -15.523 8.672 1.00 88.44 C +ATOM 2503 NE ARG A 314 -18.797 -15.438 9.734 1.00 88.44 N +ATOM 2504 NH1 ARG A 314 -17.484 -14.172 11.148 1.00 88.44 N +ATOM 2505 NH2 ARG A 314 -19.609 -14.773 11.773 1.00 88.44 N +ATOM 2506 CZ ARG A 314 -18.625 -14.789 10.883 1.00 88.44 C +ATOM 2507 N ASN A 315 -21.734 -14.461 5.816 1.00 88.81 N +ATOM 2508 CA ASN A 315 -22.875 -15.336 5.551 1.00 88.81 C +ATOM 2509 C ASN A 315 -23.219 -15.352 4.066 1.00 88.81 C +ATOM 2510 CB ASN A 315 -24.078 -14.914 6.383 1.00 88.81 C +ATOM 2511 O ASN A 315 -23.500 -16.406 3.496 1.00 88.81 O +ATOM 2512 CG ASN A 315 -23.922 -15.250 7.855 1.00 88.81 C +ATOM 2513 ND2 ASN A 315 -24.656 -14.547 8.703 1.00 88.81 N +ATOM 2514 OD1 ASN A 315 -23.141 -16.141 8.219 1.00 88.81 O +ATOM 2515 N CYS A 316 -23.203 -14.234 3.492 1.00 89.25 N +ATOM 2516 CA CYS A 316 -23.500 -14.141 2.068 1.00 89.25 C +ATOM 2517 C CYS A 316 -22.422 -14.828 1.238 1.00 89.25 C +ATOM 2518 CB CYS A 316 -23.641 -12.680 1.644 1.00 89.25 C +ATOM 2519 O CYS A 316 -22.719 -15.477 0.234 1.00 89.25 O +ATOM 2520 SG CYS A 316 -25.125 -11.875 2.273 1.00 89.25 S +ATOM 2521 N MET A 317 -21.219 -14.602 1.693 1.00 89.25 N +ATOM 2522 CA MET A 317 -20.109 -15.242 0.987 1.00 89.25 C +ATOM 2523 C MET A 317 -20.219 -16.766 1.066 1.00 89.25 C +ATOM 2524 CB MET A 317 -18.766 -14.781 1.560 1.00 89.25 C +ATOM 2525 O MET A 317 -20.047 -17.453 0.063 1.00 89.25 O +ATOM 2526 CG MET A 317 -17.562 -15.320 0.808 1.00 89.25 C +ATOM 2527 SD MET A 317 -15.984 -14.633 1.430 1.00 89.25 S +ATOM 2528 CE MET A 317 -16.000 -13.008 0.622 1.00 89.25 C +ATOM 2529 N ILE A 318 -20.516 -17.328 2.180 1.00 88.75 N +ATOM 2530 CA ILE A 318 -20.672 -18.766 2.387 1.00 88.75 C +ATOM 2531 C ILE A 318 -21.828 -19.297 1.544 1.00 88.75 C +ATOM 2532 CB ILE A 318 -20.891 -19.094 3.879 1.00 88.75 C +ATOM 2533 O ILE A 318 -21.719 -20.344 0.903 1.00 88.75 O +ATOM 2534 CG1 ILE A 318 -19.641 -18.797 4.691 1.00 88.75 C +ATOM 2535 CG2 ILE A 318 -21.312 -20.562 4.047 1.00 88.75 C +ATOM 2536 CD1 ILE A 318 -19.828 -18.891 6.199 1.00 88.75 C +ATOM 2537 N THR A 319 -22.859 -18.578 1.561 1.00 88.44 N +ATOM 2538 CA THR A 319 -24.031 -18.953 0.763 1.00 88.44 C +ATOM 2539 C THR A 319 -23.672 -19.016 -0.719 1.00 88.44 C +ATOM 2540 CB THR A 319 -25.188 -17.953 0.969 1.00 88.44 C +ATOM 2541 O THR A 319 -24.125 -19.922 -1.431 1.00 88.44 O +ATOM 2542 CG2 THR A 319 -26.406 -18.359 0.156 1.00 88.44 C +ATOM 2543 OG1 THR A 319 -25.531 -17.922 2.357 1.00 88.44 O +ATOM 2544 N THR A 320 -22.922 -18.094 -1.121 1.00 88.38 N +ATOM 2545 CA THR A 320 -22.484 -18.047 -2.514 1.00 88.38 C +ATOM 2546 C THR A 320 -21.562 -19.234 -2.828 1.00 88.38 C +ATOM 2547 CB THR A 320 -21.750 -16.734 -2.832 1.00 88.38 C +ATOM 2548 O THR A 320 -21.703 -19.875 -3.875 1.00 88.38 O +ATOM 2549 CG2 THR A 320 -21.281 -16.703 -4.281 1.00 88.38 C +ATOM 2550 OG1 THR A 320 -22.641 -15.633 -2.611 1.00 88.38 O +ATOM 2551 N LEU A 321 -20.688 -19.562 -1.945 1.00 88.50 N +ATOM 2552 CA LEU A 321 -19.719 -20.625 -2.158 1.00 88.50 C +ATOM 2553 C LEU A 321 -20.391 -22.000 -2.123 1.00 88.50 C +ATOM 2554 CB LEU A 321 -18.609 -20.562 -1.100 1.00 88.50 C +ATOM 2555 O LEU A 321 -19.938 -22.938 -2.779 1.00 88.50 O +ATOM 2556 CG LEU A 321 -17.609 -19.422 -1.237 1.00 88.50 C +ATOM 2557 CD1 LEU A 321 -16.672 -19.391 -0.037 1.00 88.50 C +ATOM 2558 CD2 LEU A 321 -16.828 -19.547 -2.537 1.00 88.50 C +ATOM 2559 N PHE A 322 -21.516 -22.078 -1.393 1.00 88.38 N +ATOM 2560 CA PHE A 322 -22.219 -23.359 -1.269 1.00 88.38 C +ATOM 2561 C PHE A 322 -23.516 -23.344 -2.068 1.00 88.38 C +ATOM 2562 CB PHE A 322 -22.500 -23.672 0.202 1.00 88.38 C +ATOM 2563 O PHE A 322 -24.484 -24.016 -1.692 1.00 88.38 O +ATOM 2564 CG PHE A 322 -21.297 -24.094 0.982 1.00 88.38 C +ATOM 2565 CD1 PHE A 322 -20.812 -25.391 0.895 1.00 88.38 C +ATOM 2566 CD2 PHE A 322 -20.625 -23.188 1.804 1.00 88.38 C +ATOM 2567 CE1 PHE A 322 -19.688 -25.797 1.616 1.00 88.38 C +ATOM 2568 CE2 PHE A 322 -19.500 -23.578 2.527 1.00 88.38 C +ATOM 2569 CZ PHE A 322 -19.031 -24.891 2.434 1.00 88.38 C +ATOM 2570 N CYS A 323 -23.531 -22.656 -3.086 1.00 84.12 N +ATOM 2571 CA CYS A 323 -24.578 -22.641 -4.094 1.00 84.12 C +ATOM 2572 C CYS A 323 -25.922 -22.281 -3.473 1.00 84.12 C +ATOM 2573 CB CYS A 323 -24.672 -24.000 -4.793 1.00 84.12 C +ATOM 2574 O CYS A 323 -26.938 -22.922 -3.779 1.00 84.12 O +ATOM 2575 SG CYS A 323 -23.188 -24.438 -5.711 1.00 84.12 S +ATOM 2576 N GLY A 324 -25.938 -21.375 -2.574 1.00 78.81 N +ATOM 2577 CA GLY A 324 -27.156 -20.797 -2.043 1.00 78.81 C +ATOM 2578 C GLY A 324 -27.547 -21.375 -0.690 1.00 78.81 C +ATOM 2579 O GLY A 324 -28.562 -20.969 -0.115 1.00 78.81 O +ATOM 2580 N LYS A 325 -26.797 -22.375 -0.230 1.00 77.56 N +ATOM 2581 CA LYS A 325 -27.062 -22.938 1.092 1.00 77.56 C +ATOM 2582 C LYS A 325 -25.984 -22.531 2.088 1.00 77.56 C +ATOM 2583 CB LYS A 325 -27.172 -24.453 1.016 1.00 77.56 C +ATOM 2584 O LYS A 325 -24.797 -22.516 1.750 1.00 77.56 O +ATOM 2585 CG LYS A 325 -28.359 -24.969 0.218 1.00 77.56 C +ATOM 2586 CD LYS A 325 -28.469 -26.484 0.271 1.00 77.56 C +ATOM 2587 CE LYS A 325 -29.672 -26.984 -0.529 1.00 77.56 C +ATOM 2588 NZ LYS A 325 -29.703 -28.469 -0.592 1.00 77.56 N +ATOM 2589 N ASN A 326 -26.453 -21.984 3.242 1.00 75.56 N +ATOM 2590 CA ASN A 326 -25.500 -21.766 4.328 1.00 75.56 C +ATOM 2591 C ASN A 326 -25.469 -22.953 5.281 1.00 75.56 C +ATOM 2592 CB ASN A 326 -25.828 -20.484 5.090 1.00 75.56 C +ATOM 2593 O ASN A 326 -26.391 -23.156 6.070 1.00 75.56 O +ATOM 2594 CG ASN A 326 -24.703 -20.031 5.988 1.00 75.56 C +ATOM 2595 ND2 ASN A 326 -24.750 -18.766 6.410 1.00 75.56 N +ATOM 2596 OD1 ASN A 326 -23.797 -20.797 6.301 1.00 75.56 O +ATOM 2597 N PRO A 327 -24.531 -23.812 5.164 1.00 75.12 N +ATOM 2598 CA PRO A 327 -24.484 -24.984 6.031 1.00 75.12 C +ATOM 2599 C PRO A 327 -24.375 -24.625 7.512 1.00 75.12 C +ATOM 2600 CB PRO A 327 -23.234 -25.734 5.551 1.00 75.12 C +ATOM 2601 O PRO A 327 -24.641 -25.469 8.375 1.00 75.12 O +ATOM 2602 CG PRO A 327 -22.469 -24.719 4.781 1.00 75.12 C +ATOM 2603 CD PRO A 327 -23.406 -23.625 4.344 1.00 75.12 C +ATOM 2604 N PHE A 328 -24.141 -23.344 7.750 1.00 73.69 N +ATOM 2605 CA PHE A 328 -23.859 -22.969 9.133 1.00 73.69 C +ATOM 2606 C PHE A 328 -25.016 -22.172 9.734 1.00 73.69 C +ATOM 2607 CB PHE A 328 -22.562 -22.156 9.211 1.00 73.69 C +ATOM 2608 O PHE A 328 -24.922 -21.688 10.859 1.00 73.69 O +ATOM 2609 CG PHE A 328 -21.359 -22.875 8.688 1.00 73.69 C +ATOM 2610 CD1 PHE A 328 -20.797 -23.938 9.398 1.00 73.69 C +ATOM 2611 CD2 PHE A 328 -20.781 -22.516 7.480 1.00 73.69 C +ATOM 2612 CE1 PHE A 328 -19.688 -24.609 8.914 1.00 73.69 C +ATOM 2613 CE2 PHE A 328 -19.656 -23.188 6.988 1.00 73.69 C +ATOM 2614 CZ PHE A 328 -19.109 -24.234 7.707 1.00 73.69 C +ATOM 2615 N GLU A 329 -26.109 -21.859 8.961 1.00 64.88 N +ATOM 2616 CA GLU A 329 -27.219 -21.000 9.391 1.00 64.88 C +ATOM 2617 C GLU A 329 -28.016 -21.656 10.516 1.00 64.88 C +ATOM 2618 CB GLU A 329 -28.141 -20.688 8.211 1.00 64.88 C +ATOM 2619 O GLU A 329 -28.500 -20.984 11.422 1.00 64.88 O +ATOM 2620 CG GLU A 329 -27.875 -19.344 7.562 1.00 64.88 C +ATOM 2621 CD GLU A 329 -28.922 -18.953 6.531 1.00 64.88 C +ATOM 2622 OE1 GLU A 329 -28.875 -17.812 6.020 1.00 64.88 O +ATOM 2623 OE2 GLU A 329 -29.797 -19.797 6.230 1.00 64.88 O +ATOM 2624 N GLY A 330 -27.641 -22.906 11.062 1.00 55.88 N +ATOM 2625 CA GLY A 330 -28.391 -23.547 12.141 1.00 55.88 C +ATOM 2626 C GLY A 330 -27.531 -23.797 13.375 1.00 55.88 C +ATOM 2627 O GLY A 330 -28.062 -24.188 14.414 1.00 55.88 O +ATOM 2628 N GLU A 331 -26.281 -23.453 13.453 1.00 52.62 N +ATOM 2629 CA GLU A 331 -25.500 -23.734 14.648 1.00 52.62 C +ATOM 2630 C GLU A 331 -25.344 -22.484 15.523 1.00 52.62 C +ATOM 2631 CB GLU A 331 -24.125 -24.281 14.273 1.00 52.62 C +ATOM 2632 O GLU A 331 -25.234 -22.594 16.750 1.00 52.62 O +ATOM 2633 CG GLU A 331 -24.125 -25.766 13.953 1.00 52.62 C +ATOM 2634 CD GLU A 331 -22.734 -26.312 13.625 1.00 52.62 C +ATOM 2635 OE1 GLU A 331 -22.609 -27.531 13.391 1.00 52.62 O +ATOM 2636 OE2 GLU A 331 -21.781 -25.500 13.609 1.00 52.62 O +ATOM 2637 N GLU A 332 -25.938 -21.359 15.188 1.00 49.19 N +ATOM 2638 CA GLU A 332 -25.688 -20.312 16.172 1.00 49.19 C +ATOM 2639 C GLU A 332 -26.984 -19.797 16.781 1.00 49.19 C +ATOM 2640 CB GLU A 332 -24.906 -19.156 15.539 1.00 49.19 C +ATOM 2641 O GLU A 332 -26.984 -19.203 17.859 1.00 49.19 O +ATOM 2642 CG GLU A 332 -23.406 -19.375 15.492 1.00 49.19 C +ATOM 2643 CD GLU A 332 -22.641 -18.219 14.875 1.00 49.19 C +ATOM 2644 OE1 GLU A 332 -21.391 -18.281 14.781 1.00 49.19 O +ATOM 2645 OE2 GLU A 332 -23.297 -17.219 14.484 1.00 49.19 O +ATOM 2646 N GLU A 333 -28.094 -20.391 16.344 1.00 43.50 N +ATOM 2647 CA GLU A 333 -29.297 -20.078 17.109 1.00 43.50 C +ATOM 2648 C GLU A 333 -29.688 -21.234 18.016 1.00 43.50 C +ATOM 2649 CB GLU A 333 -30.453 -19.703 16.188 1.00 43.50 C +ATOM 2650 O GLU A 333 -30.578 -21.109 18.859 1.00 43.50 O +ATOM 2651 CG GLU A 333 -30.406 -18.266 15.688 1.00 43.50 C +ATOM 2652 CD GLU A 333 -31.641 -17.875 14.883 1.00 43.50 C +ATOM 2653 OE1 GLU A 333 -31.781 -16.688 14.539 1.00 43.50 O +ATOM 2654 OE2 GLU A 333 -32.469 -18.766 14.594 1.00 43.50 O +ATOM 2655 N GLY A 334 -28.812 -22.281 18.078 1.00 33.53 N +ATOM 2656 CA GLY A 334 -29.234 -23.328 18.984 1.00 33.53 C +ATOM 2657 C GLY A 334 -28.500 -23.312 20.312 1.00 33.53 C +ATOM 2658 O GLY A 334 -28.766 -24.141 21.188 1.00 33.53 O +ATOM 2659 N ALA A 335 -27.859 -22.156 20.625 1.00 35.88 N +ATOM 2660 CA ALA A 335 -27.469 -22.125 22.031 1.00 35.88 C +ATOM 2661 C ALA A 335 -28.391 -21.203 22.828 1.00 35.88 C +ATOM 2662 CB ALA A 335 -26.016 -21.672 22.172 1.00 35.88 C +ATOM 2663 O ALA A 335 -28.344 -21.188 24.062 1.00 35.88 O +ATOM 2664 N SER A 336 -29.641 -21.078 22.406 1.00 31.83 N +ATOM 2665 CA SER A 336 -30.547 -20.484 23.391 1.00 31.83 C +ATOM 2666 C SER A 336 -31.984 -20.922 23.172 1.00 31.83 C +ATOM 2667 CB SER A 336 -30.453 -18.953 23.359 1.00 31.83 C +ATOM 2668 O SER A 336 -32.875 -20.609 23.969 1.00 31.83 O +ATOM 2669 OG SER A 336 -31.297 -18.375 24.328 1.00 31.83 O +ATOM 2670 N SER A 337 -32.219 -22.188 22.891 1.00 26.89 N +ATOM 2671 CA SER A 337 -33.625 -22.453 23.109 1.00 26.89 C +ATOM 2672 C SER A 337 -33.844 -23.750 23.875 1.00 26.89 C +ATOM 2673 CB SER A 337 -34.375 -22.500 21.781 1.00 26.89 C +ATOM 2674 O SER A 337 -33.500 -24.828 23.391 1.00 26.89 O +ATOM 2675 OG SER A 337 -33.906 -23.578 20.984 1.00 26.89 O +ATOM 2676 N THR A 338 -33.250 -23.922 25.000 1.00 27.47 N +ATOM 2677 CA THR A 338 -33.938 -24.828 25.922 1.00 27.47 C +ATOM 2678 C THR A 338 -35.406 -24.453 26.078 1.00 27.47 C +ATOM 2679 CB THR A 338 -33.250 -24.828 27.312 1.00 27.47 C +ATOM 2680 O THR A 338 -35.719 -23.297 26.391 1.00 27.47 O +ATOM 2681 CG2 THR A 338 -33.125 -26.250 27.844 1.00 27.47 C +ATOM 2682 OG1 THR A 338 -31.969 -24.234 27.203 1.00 27.47 O +ATOM 2683 N LYS A 339 -36.219 -24.562 25.047 1.00 25.48 N +ATOM 2684 CA LYS A 339 -37.656 -24.812 25.016 1.00 25.48 C +ATOM 2685 C LYS A 339 -38.062 -25.703 26.172 1.00 25.48 C +ATOM 2686 CB LYS A 339 -38.062 -25.453 23.688 1.00 25.48 C +ATOM 2687 O LYS A 339 -37.625 -26.844 26.281 1.00 25.48 O +ATOM 2688 CG LYS A 339 -38.188 -24.453 22.531 1.00 25.48 C +ATOM 2689 CD LYS A 339 -38.781 -25.125 21.297 1.00 25.48 C +ATOM 2690 CE LYS A 339 -38.906 -24.125 20.141 1.00 25.48 C +ATOM 2691 NZ LYS A 339 -39.469 -24.781 18.922 1.00 25.48 N +ATOM 2692 N THR A 340 -37.875 -25.266 27.375 1.00 25.81 N +ATOM 2693 CA THR A 340 -38.688 -25.891 28.438 1.00 25.81 C +ATOM 2694 C THR A 340 -40.188 -25.672 28.203 1.00 25.81 C +ATOM 2695 CB THR A 340 -38.281 -25.328 29.812 1.00 25.81 C +ATOM 2696 O THR A 340 -40.594 -24.531 27.953 1.00 25.81 O +ATOM 2697 CG2 THR A 340 -38.344 -26.422 30.891 1.00 25.81 C +ATOM 2698 OG1 THR A 340 -36.969 -24.797 29.766 1.00 25.81 O +ATOM 2699 N GLU A 341 -40.781 -26.422 27.312 1.00 25.28 N +ATOM 2700 CA GLU A 341 -42.031 -27.172 27.328 1.00 25.28 C +ATOM 2701 C GLU A 341 -42.469 -27.500 28.750 1.00 25.28 C +ATOM 2702 CB GLU A 341 -41.875 -28.469 26.500 1.00 25.28 C +ATOM 2703 O GLU A 341 -41.688 -28.031 29.531 1.00 25.28 O +ATOM 2704 CG GLU A 341 -41.938 -28.250 25.000 1.00 25.28 C +ATOM 2705 CD GLU A 341 -41.906 -29.547 24.203 1.00 25.28 C +ATOM 2706 OE1 GLU A 341 -42.031 -29.500 22.969 1.00 25.28 O +ATOM 2707 OE2 GLU A 341 -41.750 -30.625 24.844 1.00 25.28 O +ATOM 2708 N ALA A 342 -43.156 -26.609 29.422 1.00 23.42 N +ATOM 2709 CA ALA A 342 -44.219 -27.172 30.266 1.00 23.42 C +ATOM 2710 C ALA A 342 -44.781 -26.109 31.188 1.00 23.42 C +ATOM 2711 CB ALA A 342 -43.688 -28.359 31.062 1.00 23.42 C +ATOM 2712 O ALA A 342 -44.062 -25.375 31.828 1.00 23.42 O +ATOM 2713 N SER A 343 -46.000 -25.562 30.859 1.00 24.64 N +ATOM 2714 CA SER A 343 -47.219 -25.812 31.672 1.00 24.64 C +ATOM 2715 C SER A 343 -48.188 -24.641 31.562 1.00 24.64 C +ATOM 2716 CB SER A 343 -46.812 -26.031 33.125 1.00 24.64 C +ATOM 2717 O SER A 343 -47.781 -23.484 31.672 1.00 24.64 O +ATOM 2718 OG SER A 343 -47.281 -27.297 33.594 1.00 24.64 O +ATOM 2719 N SER A 344 -49.125 -24.672 30.609 1.00 24.12 N +ATOM 2720 CA SER A 344 -50.562 -24.719 30.766 1.00 24.12 C +ATOM 2721 C SER A 344 -50.969 -24.250 32.156 1.00 24.12 C +ATOM 2722 CB SER A 344 -51.094 -26.125 30.500 1.00 24.12 C +ATOM 2723 O SER A 344 -50.375 -24.656 33.156 1.00 24.12 O +ATOM 2724 OG SER A 344 -50.250 -27.094 31.094 1.00 24.12 O +ATOM 2725 N ALA A 345 -51.438 -23.000 32.344 1.00 25.00 N +ATOM 2726 CA ALA A 345 -52.688 -22.812 33.062 1.00 25.00 C +ATOM 2727 C ALA A 345 -52.719 -21.438 33.750 1.00 25.00 C +ATOM 2728 CB ALA A 345 -52.875 -23.922 34.094 1.00 25.00 C +ATOM 2729 O ALA A 345 -51.750 -21.031 34.375 1.00 25.00 O +ATOM 2730 N SER A 346 -53.500 -20.484 33.188 1.00 26.91 N +ATOM 2731 CA SER A 346 -54.688 -19.953 33.844 1.00 26.91 C +ATOM 2732 C SER A 346 -54.906 -18.484 33.500 1.00 26.91 C +ATOM 2733 CB SER A 346 -54.562 -20.094 35.375 1.00 26.91 C +ATOM 2734 O SER A 346 -53.969 -17.688 33.500 1.00 26.91 O +ATOM 2735 OG SER A 346 -53.219 -19.969 35.781 1.00 26.91 O +ATOM 2736 N SER A 347 -55.688 -18.219 32.469 1.00 25.06 N +ATOM 2737 CA SER A 347 -56.844 -17.359 32.312 1.00 25.06 C +ATOM 2738 C SER A 347 -57.125 -16.578 33.594 1.00 25.06 C +ATOM 2739 CB SER A 347 -58.062 -18.203 31.938 1.00 25.06 C +ATOM 2740 O SER A 347 -57.250 -17.156 34.656 1.00 25.06 O +ATOM 2741 OG SER A 347 -58.344 -19.156 32.938 1.00 25.06 O +ATOM 2742 N VAL A 348 -56.594 -15.375 33.719 1.00 30.61 N +ATOM 2743 CA VAL A 348 -57.281 -14.461 34.625 1.00 30.61 C +ATOM 2744 C VAL A 348 -57.719 -13.203 33.875 1.00 30.61 C +ATOM 2745 CB VAL A 348 -56.406 -14.086 35.844 1.00 30.61 C +ATOM 2746 O VAL A 348 -56.875 -12.562 33.219 1.00 30.61 O +ATOM 2747 CG1 VAL A 348 -57.188 -13.148 36.781 1.00 30.61 C +ATOM 2748 CG2 VAL A 348 -55.969 -15.344 36.562 1.00 30.61 C +ATOM 2749 N SER A 349 -58.844 -13.234 33.156 1.00 25.70 N +ATOM 2750 CA SER A 349 -59.875 -12.188 33.062 1.00 25.70 C +ATOM 2751 C SER A 349 -60.312 -11.695 34.438 1.00 25.70 C +ATOM 2752 CB SER A 349 -61.094 -12.703 32.281 1.00 25.70 C +ATOM 2753 O SER A 349 -60.469 -12.492 35.344 1.00 25.70 O +ATOM 2754 OG SER A 349 -60.688 -13.328 31.062 1.00 25.70 O +ATOM 2755 N PRO A 350 -60.688 -10.516 34.531 1.00 34.00 N +ATOM 2756 CA PRO A 350 -61.500 -9.352 34.219 1.00 34.00 C +ATOM 2757 C PRO A 350 -61.219 -8.156 35.125 1.00 34.00 C +ATOM 2758 CB PRO A 350 -62.938 -9.859 34.406 1.00 34.00 C +ATOM 2759 O PRO A 350 -60.531 -8.305 36.125 1.00 34.00 O +ATOM 2760 CG PRO A 350 -62.844 -10.820 35.562 1.00 34.00 C +ATOM 2761 CD PRO A 350 -61.375 -11.000 35.906 1.00 34.00 C +ATOM 2762 N ALA A 351 -61.438 -6.859 34.656 1.00 35.69 N +ATOM 2763 CA ALA A 351 -62.312 -5.684 34.781 1.00 35.69 C +ATOM 2764 C ALA A 351 -61.719 -4.500 34.000 1.00 35.69 C +ATOM 2765 CB ALA A 351 -62.500 -5.312 36.250 1.00 35.69 C +ATOM 2766 O ALA A 351 -60.500 -4.305 33.969 1.00 35.69 O +TER 2767 ALA A 1 +ENDMDL +END diff --git a/examples/optics_on_testing_2026-01-26_15-25-47/arg_log.txt b/examples/optics_on_testing_2026-01-26_15-25-47/arg_log.txt deleted file mode 100644 index 271e064b..00000000 --- a/examples/optics_on_testing_2026-01-26_15-25-47/arg_log.txt +++ /dev/null @@ -1,17 +0,0 @@ -Selected Options... -input_sequence: D:/safra/Github/optics/examples/optics_ex_short.fasta -report_dir: D:/safra/Github/optics/examples/optics_on_testing_2026-01-26_15-25-47 -output_file: testing -model: whole-dataset-mnm -encoding_method: aa_prop -tolerate_non_standard_aa: True -tolerate_incomplete_seqs: False -blastp: True - blastp_report: blastp_report.txt - refseq: bovine - custom_ref_file: None -bootstrap: True - visualize_bootstrap: True - bootstrap_viz_file: bootstrap_viz - save_as: svg - full_spectrum_xaxis: False diff --git a/examples/optics_on_testing_2026-01-26_15-25-47/blastp_report.csv b/examples/optics_on_testing_2026-01-26_15-25-47/blastp_report.csv deleted file mode 100644 index 2d1f4b28..00000000 --- a/examples/optics_on_testing_2026-01-26_15-25-47/blastp_report.csv +++ /dev/null @@ -1,6 +0,0 @@ -query_id,status,closest_match_id,match_species,match_opsin_family,match_accession,match_lambda_max,percent_identity,alignment_length,mismatches,gap_opens,e_value,differences_from_match -Bombus_impatiens|347,Success,MNM1655,Bombus_ impatiens,"opsin, ultraviolet-sensitive [Bombus impatiens]",NP_001267052.1,352.0,100.0,371,0,0,0.0,No Differences -Bombus_impatiens|424,Success,S801,Apis_cerana,,AB355817,430.0,87.302,378,47,1,0.0,E3K; H13Y; G23A; I25P; Y30H; W35F; F39L; V52L; P67S; A71P; M100I; A112V; A114S; S125A; F178Y; L183F; E194D; Q196E; M205T; S206C; T217I; V220I; Y221L; Q225R; Q228N; R235K; V246A; L248V; M273L; A276V; F277Y; I286V; L293V; H335S; S337A; A338T; V340A; S347T -Bombus_impatiens|539,Success,MNM1706,Apis_mellifera,,U26026,529.0,88.889,378,40,2,0.0,S3A; A4V; L5S; A14N; H33N; F37Y; L49M; I53V; D83N; T149S; L155I; L158I; G159A; I166G; S193N; D197G; I198L; V199L; V201A; I204L; L205V; L206C; S208G; F214V; W221Y; Y225F; W273F; S277N; Y287F; A328S; P329-; T330S; T334V; V337T -Neogonodactylus_oerstedii|383,Success,MNM1565,Neogonodactylus_oerstedii,SWS/UVS,STO|Neoer|UVS|AIF73508,383.0,100.0,368,0,0,0.0,A348- -Neogonodactylus_oerstedii|334,Success,MNM1700,Neogonodactylus_oerstedii,SWS/UVS,STO|Neoer|UVS|AIF73507,388.0,100.0,349,0,0,0.0,No Differences diff --git a/examples/optics_on_testing_2026-01-26_15-25-47/bootstrap_viz_part1.svg b/examples/optics_on_testing_2026-01-26_15-25-47/bootstrap_viz_part1.svg deleted file mode 100644 index ac2c7574..00000000 --- a/examples/optics_on_testing_2026-01-26_15-25-47/bootstrap_viz_part1.svg +++ /dev/null @@ -1,2161 +0,0 @@ - - - - - - - - 2026-01-26T15:25:48.225731 - image/svg+xml - - - Matplotlib v3.9.2, https://matplotlib.org/ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - diff --git a/examples/optics_on_testing_2026-01-26_15-25-47/fig_tree_color_annotation.txt b/examples/optics_on_testing_2026-01-26_15-25-47/fig_tree_color_annotation.txt deleted file mode 100644 index ff09d081..00000000 --- a/examples/optics_on_testing_2026-01-26_15-25-47/fig_tree_color_annotation.txt +++ /dev/null @@ -1,6 +0,0 @@ -Name !color -Neogonodactylus_oerstedii|334 #700092 -Neogonodactylus_oerstedii|383 #6f0086 -Bombus_impatiens|539 #7dff00 -Bombus_impatiens|424 #0000ff -Bombus_impatiens|347 #610061 diff --git a/examples/optics_on_testing_2026-01-26_15-25-47/itol_color_annotation.txt b/examples/optics_on_testing_2026-01-26_15-25-47/itol_color_annotation.txt deleted file mode 100644 index e723c7ed..00000000 --- a/examples/optics_on_testing_2026-01-26_15-25-47/itol_color_annotation.txt +++ /dev/null @@ -1,8 +0,0 @@ -TREE_COLORS -SEPARATOR TAB -DATA -Neogonodactylus_oerstedii|334 label_background #700092 -Neogonodactylus_oerstedii|383 label_background #6f0086 -Bombus_impatiens|539 label_background #7dff00 -Bombus_impatiens|424 label_background #0000ff -Bombus_impatiens|347 label_background #610061 diff --git a/examples/optics_on_testing_2026-01-26_15-25-47/testing_predictions.tsv b/examples/optics_on_testing_2026-01-26_15-25-47/testing_predictions.tsv deleted file mode 100644 index 516c2bbe..00000000 --- a/examples/optics_on_testing_2026-01-26_15-25-47/testing_predictions.tsv +++ /dev/null @@ -1,6 +0,0 @@ -Names Single_Prediction Prediction_Means Prediction_Medians Prediction_Lower_Bounds Prediction_Upper_Bounds Std_Deviation %Identity_Nearest_VPOD_Sequence Sequence_Length Lmax_Hex_Color -Neogonodactylus_oerstedii|334 388.6 397.0 388.1 387.2 447.9 17.7 100.0 349 #700092 -Neogonodactylus_oerstedii|383 381.7 392.8 384.1 370.4 435.1 18.6 100.0 405 #6f0086 -Bombus_impatiens|539 538.1 538.8 538.4 532.2 548.3 3.7 88.889 377 #7dff00 -Bombus_impatiens|424 443.5 440.0 439.5 429.6 454.4 7.1 87.302 379 #0000ff -Bombus_impatiens|347 350.4 349.8 350.0 346.5 352.8 1.6 100.0 371 #610061 diff --git a/examples/optics_on_testing_2026-01-26_15-25-47/testing_predictions_for_excel.xlsx b/examples/optics_on_testing_2026-01-26_15-25-47/testing_predictions_for_excel.xlsx deleted file mode 100644 index f60db511cc60c5aa73413ef54ea509e648aba22f..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 5467 zcmZ`-1yCI6)*T2g!6i7sgF6Iw&7i>shd}}i1lQm$!68_J6Ko(jB)A24x8N*`yZ@6- 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5.766 -2.963 1.00 0.22 C +ATOM 4 CB MET A 1 28.516 7.652 -4.598 1.00 0.22 C +ATOM 5 O MET A 1 29.391 4.898 -3.486 1.00 0.22 O +ATOM 6 CG MET A 1 28.359 9.148 -4.777 1.00 0.22 C +ATOM 7 SD MET A 1 27.656 9.594 -6.418 1.00 0.22 S +ATOM 8 CE MET A 1 28.000 11.375 -6.438 1.00 0.22 C +ATOM 9 N ASN A 2 28.031 5.328 -1.880 1.00 0.08 N +ATOM 10 CA ASN A 2 27.859 3.953 -1.420 1.00 0.08 C +ATOM 11 C ASN A 2 26.812 3.209 -2.254 1.00 0.08 C +ATOM 12 CB ASN A 2 27.469 3.928 0.060 1.00 0.08 C +ATOM 13 O ASN A 2 26.828 1.978 -2.303 1.00 0.08 O +ATOM 14 CG ASN A 2 28.594 4.363 0.969 1.00 0.08 C +ATOM 15 ND2 ASN A 2 28.250 4.832 2.162 1.00 0.08 N +ATOM 16 OD1 ASN A 2 29.781 4.285 0.601 1.00 0.08 O +ATOM 17 N GLY A 3 26.016 3.871 -3.221 1.00 0.07 N +ATOM 18 CA GLY A 3 25.172 3.338 -4.289 1.00 0.07 C +ATOM 19 C GLY A 3 25.500 3.928 -5.648 1.00 0.07 C +ATOM 20 O GLY A 3 26.281 4.871 -5.750 1.00 0.07 O +ATOM 21 N THR A 4 25.188 3.109 -6.703 1.00 0.19 N +ATOM 22 CA THR A 4 25.438 3.516 -8.086 1.00 0.19 C +ATOM 23 C THR A 4 24.141 3.918 -8.773 1.00 0.19 C +ATOM 24 CB THR A 4 26.109 2.389 -8.883 1.00 0.19 C +ATOM 25 O THR A 4 23.172 3.146 -8.797 1.00 0.19 O +ATOM 26 CG2 THR A 4 26.516 2.865 -10.273 1.00 0.19 C +ATOM 27 OG1 THR A 4 27.297 1.956 -8.180 1.00 0.19 O +ATOM 28 N GLU A 5 24.141 5.191 -9.102 1.00 0.02 N +ATOM 29 CA GLU A 5 23.000 5.727 -9.852 1.00 0.02 C +ATOM 30 C GLU A 5 23.219 5.570 -11.359 1.00 0.02 C +ATOM 31 CB GLU A 5 22.766 7.195 -9.500 1.00 0.02 C +ATOM 32 O GLU A 5 24.250 5.973 -11.891 1.00 0.02 O +ATOM 33 CG GLU A 5 21.609 7.832 -10.250 1.00 0.02 C +ATOM 34 CD GLU A 5 21.391 9.297 -9.898 1.00 0.02 C +ATOM 35 OE1 GLU A 5 20.656 9.992 -10.633 1.00 0.02 O +ATOM 36 OE2 GLU A 5 21.969 9.742 -8.875 1.00 0.02 O +ATOM 37 N GLY A 6 22.359 4.824 -12.039 1.00 0.36 N +ATOM 38 CA GLY A 6 22.328 4.699 -13.484 1.00 0.36 C +ATOM 39 C GLY A 6 21.141 5.402 -14.117 1.00 0.36 C +ATOM 40 O GLY A 6 20.391 6.102 -13.438 1.00 0.36 O +ATOM 41 N PRO A 7 21.078 5.383 -15.484 1.00 0.40 N +ATOM 42 CA PRO A 7 19.891 5.980 -16.109 1.00 0.40 C +ATOM 43 C PRO A 7 18.594 5.293 -15.711 1.00 0.40 C +ATOM 44 CB PRO A 7 20.172 5.801 -17.609 1.00 0.40 C +ATOM 45 O PRO A 7 18.312 4.176 -16.156 1.00 0.40 O +ATOM 46 CG PRO A 7 21.625 5.484 -17.703 1.00 0.40 C +ATOM 47 CD PRO A 7 22.062 4.855 -16.406 1.00 0.40 C +ATOM 48 N TYR A 8 17.875 5.918 -14.727 1.00 0.19 N +ATOM 49 CA TYR A 8 16.547 5.473 -14.297 1.00 0.19 C +ATOM 50 C TYR A 8 16.656 4.250 -13.398 1.00 0.19 C +ATOM 51 CB TYR A 8 15.672 5.156 -15.516 1.00 0.19 C +ATOM 52 O TYR A 8 15.781 3.373 -13.430 1.00 0.19 O +ATOM 53 CG TYR A 8 15.359 6.363 -16.375 1.00 0.19 C +ATOM 54 CD1 TYR A 8 14.422 7.309 -15.961 1.00 0.19 C +ATOM 55 CD2 TYR A 8 16.000 6.555 -17.594 1.00 0.19 C +ATOM 56 CE1 TYR A 8 14.133 8.422 -16.734 1.00 0.19 C +ATOM 57 CE2 TYR A 8 15.719 7.664 -18.375 1.00 0.19 C +ATOM 58 OH TYR A 8 14.500 9.688 -18.734 1.00 0.19 O +ATOM 59 CZ TYR A 8 14.781 8.586 -17.953 1.00 0.19 C +ATOM 60 N PHE A 9 17.672 4.078 -12.703 1.00 0.48 N +ATOM 61 CA PHE A 9 17.797 3.061 -11.664 1.00 0.48 C +ATOM 62 C PHE A 9 18.844 3.469 -10.625 1.00 0.48 C +ATOM 63 CB PHE A 9 18.172 1.708 -12.281 1.00 0.48 C +ATOM 64 O PHE A 9 19.656 4.355 -10.883 1.00 0.48 O +ATOM 65 CG PHE A 9 19.578 1.656 -12.820 1.00 0.48 C +ATOM 66 CD1 PHE A 9 19.844 1.975 -14.148 1.00 0.48 C +ATOM 67 CD2 PHE A 9 20.641 1.288 -12.008 1.00 0.48 C +ATOM 68 CE1 PHE A 9 21.141 1.927 -14.656 1.00 0.48 C +ATOM 69 CE2 PHE A 9 21.938 1.238 -12.508 1.00 0.48 C +ATOM 70 CZ PHE A 9 22.188 1.558 -13.828 1.00 0.48 C +ATOM 71 N TYR A 10 18.766 2.842 -9.477 1.00 0.22 N +ATOM 72 CA TYR A 10 19.703 2.986 -8.367 1.00 0.22 C +ATOM 73 C TYR A 10 20.031 1.633 -7.746 1.00 0.22 C +ATOM 74 CB TYR A 10 19.125 3.922 -7.297 1.00 0.22 C +ATOM 75 O TYR A 10 19.125 0.864 -7.406 1.00 0.22 O +ATOM 76 CG TYR A 10 19.984 4.039 -6.062 1.00 0.22 C +ATOM 77 CD1 TYR A 10 19.766 3.238 -4.949 1.00 0.22 C +ATOM 78 CD2 TYR A 10 21.031 4.957 -6.012 1.00 0.22 C +ATOM 79 CE1 TYR A 10 20.547 3.346 -3.811 1.00 0.22 C +ATOM 80 CE2 TYR A 10 21.828 5.070 -4.879 1.00 0.22 C +ATOM 81 OH TYR A 10 22.375 4.375 -2.662 1.00 0.22 O +ATOM 82 CZ TYR A 10 21.594 4.262 -3.785 1.00 0.22 C +ATOM 83 N VAL A 11 21.344 1.355 -7.703 1.00 0.15 N +ATOM 84 CA VAL A 11 21.797 0.133 -7.047 1.00 0.15 C +ATOM 85 C VAL A 11 22.375 0.465 -5.672 1.00 0.15 C +ATOM 86 CB VAL A 11 22.859 -0.607 -7.898 1.00 0.15 C +ATOM 87 O VAL A 11 23.344 1.211 -5.562 1.00 0.15 O +ATOM 88 CG1 VAL A 11 23.344 -1.867 -7.184 1.00 0.15 C +ATOM 89 CG2 VAL A 11 22.281 -0.954 -9.273 1.00 0.15 C +ATOM 90 N PRO A 12 21.672 -0.098 -4.574 1.00 0.00 N +ATOM 91 CA PRO A 12 22.062 0.280 -3.213 1.00 0.00 C +ATOM 92 C PRO A 12 23.312 -0.454 -2.729 1.00 0.00 C +ATOM 93 CB PRO A 12 20.844 -0.112 -2.375 1.00 0.00 C +ATOM 94 O PRO A 12 23.297 -1.066 -1.658 1.00 0.00 O +ATOM 95 CG PRO A 12 20.250 -1.278 -3.094 1.00 0.00 C +ATOM 96 CD PRO A 12 20.500 -1.114 -4.566 1.00 0.00 C +ATOM 97 N MET A 13 24.359 -0.671 -3.533 1.00 0.88 N +ATOM 98 CA MET A 13 25.625 -1.291 -3.135 1.00 0.88 C +ATOM 99 C MET A 13 26.812 -0.513 -3.689 1.00 0.88 C +ATOM 100 CB MET A 13 25.688 -2.744 -3.609 1.00 0.88 C +ATOM 101 O MET A 13 26.703 0.148 -4.723 1.00 0.88 O +ATOM 102 CG MET A 13 25.641 -2.898 -5.121 1.00 0.88 C +ATOM 103 SD MET A 13 25.594 -4.656 -5.648 1.00 0.88 S +ATOM 104 CE MET A 13 27.297 -4.855 -6.234 1.00 0.88 C +ATOM 105 N VAL A 14 27.922 -0.574 -2.820 1.00 0.52 N +ATOM 106 CA VAL A 14 29.172 0.062 -3.184 1.00 0.52 C +ATOM 107 C VAL A 14 29.812 -0.684 -4.352 1.00 0.52 C +ATOM 108 CB VAL A 14 30.156 0.109 -1.986 1.00 0.52 C +ATOM 109 O VAL A 14 29.828 -1.917 -4.375 1.00 0.52 O +ATOM 110 CG1 VAL A 14 31.469 0.755 -2.393 1.00 0.52 C +ATOM 111 CG2 VAL A 14 29.531 0.864 -0.816 1.00 0.52 C +ATOM 112 N ASN A 15 30.172 0.106 -5.480 1.00 0.92 N +ATOM 113 CA ASN A 15 30.828 -0.413 -6.680 1.00 0.92 C +ATOM 114 C ASN A 15 32.281 -0.778 -6.414 1.00 0.92 C +ATOM 115 CB ASN A 15 30.719 0.600 -7.820 1.00 0.92 C +ATOM 116 O ASN A 15 33.156 -0.427 -7.199 1.00 0.92 O +ATOM 117 CG ASN A 15 31.297 0.071 -9.117 1.00 0.92 C +ATOM 118 ND2 ASN A 15 31.391 0.935 -10.125 1.00 0.92 N +ATOM 119 OD1 ASN A 15 31.672 -1.104 -9.219 1.00 0.92 O +ATOM 120 N THR A 16 32.625 -1.399 -5.262 1.00 0.16 N +ATOM 121 CA THR A 16 34.031 -1.701 -4.992 1.00 0.16 C +ATOM 122 C THR A 16 34.531 -2.775 -5.945 1.00 0.16 C +ATOM 123 CB THR A 16 34.219 -2.160 -3.537 1.00 0.16 C +ATOM 124 O THR A 16 35.719 -2.764 -6.328 1.00 0.16 O +ATOM 125 CG2 THR A 16 34.031 -1.002 -2.562 1.00 0.16 C +ATOM 126 OG1 THR A 16 33.281 -3.186 -3.229 1.00 0.16 O +ATOM 127 N THR A 17 33.688 -3.656 -6.355 1.00 0.08 N +ATOM 128 CA THR A 17 34.062 -4.754 -7.234 1.00 0.08 C +ATOM 129 C THR A 17 34.031 -4.312 -8.695 1.00 0.08 C +ATOM 130 CB THR A 17 33.156 -5.977 -7.039 1.00 0.08 C +ATOM 131 O THR A 17 34.562 -5.004 -9.570 1.00 0.08 O +ATOM 132 CG2 THR A 17 33.219 -6.492 -5.605 1.00 0.08 C +ATOM 133 OG1 THR A 17 31.797 -5.605 -7.340 1.00 0.08 O +ATOM 134 N GLY A 18 33.469 -3.059 -9.008 1.00 0.00 N +ATOM 135 CA GLY A 18 33.312 -2.576 -10.367 1.00 0.00 C +ATOM 136 C GLY A 18 32.062 -3.139 -11.039 1.00 0.00 C +ATOM 137 O GLY A 18 31.812 -2.895 -12.227 1.00 0.00 O +ATOM 138 N VAL A 19 31.203 -3.912 -10.320 1.00 0.04 N +ATOM 139 CA VAL A 19 30.094 -4.551 -11.000 1.00 0.04 C +ATOM 140 C VAL A 19 28.797 -3.791 -10.703 1.00 0.04 C +ATOM 141 CB VAL A 19 29.938 -6.031 -10.586 1.00 0.04 C +ATOM 142 O VAL A 19 28.328 -3.779 -9.562 1.00 0.04 O +ATOM 143 CG1 VAL A 19 28.734 -6.672 -11.273 1.00 0.04 C +ATOM 144 CG2 VAL A 19 31.219 -6.805 -10.898 1.00 0.04 C +ATOM 145 N VAL A 20 28.328 -2.863 -11.438 1.00 0.00 N +ATOM 146 CA VAL A 20 26.984 -2.309 -11.469 1.00 0.00 C +ATOM 147 C VAL A 20 26.359 -2.537 -12.852 1.00 0.00 C +ATOM 148 CB VAL A 20 26.984 -0.803 -11.133 1.00 0.00 C +ATOM 149 O VAL A 20 26.875 -2.039 -13.859 1.00 0.00 O +ATOM 150 CG1 VAL A 20 25.562 -0.239 -11.188 1.00 0.00 C +ATOM 151 CG2 VAL A 20 27.594 -0.568 -9.750 1.00 0.00 C +ATOM 152 N ARG A 21 25.328 -3.379 -12.758 1.00 0.38 N +ATOM 153 CA ARG A 21 24.656 -3.672 -14.023 1.00 0.38 C +ATOM 154 C ARG A 21 23.234 -3.129 -14.031 1.00 0.38 C +ATOM 155 CB ARG A 21 24.641 -5.180 -14.289 1.00 0.38 C +ATOM 156 O ARG A 21 22.594 -3.021 -12.984 1.00 0.38 O +ATOM 157 CG ARG A 21 26.031 -5.789 -14.438 1.00 0.38 C +ATOM 158 CD ARG A 21 25.953 -7.273 -14.766 1.00 0.38 C +ATOM 159 NE ARG A 21 27.281 -7.848 -14.961 1.00 0.38 N +ATOM 160 NH1 ARG A 21 26.547 -10.016 -15.234 1.00 0.38 N +ATOM 161 NH2 ARG A 21 28.781 -9.547 -15.344 1.00 0.38 N +ATOM 162 CZ ARG A 21 27.531 -9.133 -15.180 1.00 0.38 C +ATOM 163 N SER A 22 22.859 -2.715 -15.156 1.00 0.25 N +ATOM 164 CA SER A 22 21.500 -2.234 -15.320 1.00 0.25 C +ATOM 165 C SER A 22 20.484 -3.326 -14.984 1.00 0.25 C +ATOM 166 CB SER A 22 21.266 -1.738 -16.750 1.00 0.25 C +ATOM 167 O SER A 22 20.562 -4.438 -15.508 1.00 0.25 O +ATOM 168 OG SER A 22 19.891 -1.460 -16.969 1.00 0.25 O +ATOM 169 N PRO A 23 19.516 -3.002 -14.078 1.00 0.01 N +ATOM 170 CA PRO A 23 18.484 -3.980 -13.719 1.00 0.01 C +ATOM 171 C PRO A 23 17.484 -4.227 -14.852 1.00 0.01 C +ATOM 172 CB PRO A 23 17.781 -3.344 -12.508 1.00 0.01 C +ATOM 173 O PRO A 23 16.578 -5.059 -14.711 1.00 0.01 O +ATOM 174 CG PRO A 23 17.953 -1.871 -12.711 1.00 0.01 C +ATOM 175 CD PRO A 23 19.266 -1.622 -13.383 1.00 0.01 C +ATOM 176 N TYR A 24 17.734 -3.535 -15.906 1.00 0.30 N +ATOM 177 CA TYR A 24 16.828 -3.713 -17.047 1.00 0.30 C +ATOM 178 C TYR A 24 17.438 -4.652 -18.078 1.00 0.30 C +ATOM 179 CB TYR A 24 16.516 -2.363 -17.688 1.00 0.30 C +ATOM 180 O TYR A 24 16.734 -5.160 -18.953 1.00 0.30 O +ATOM 181 CG TYR A 24 15.836 -1.385 -16.750 1.00 0.30 C +ATOM 182 CD1 TYR A 24 14.555 -1.626 -16.266 1.00 0.30 C +ATOM 183 CD2 TYR A 24 16.484 -0.219 -16.359 1.00 0.30 C +ATOM 184 CE1 TYR A 24 13.930 -0.727 -15.414 1.00 0.30 C +ATOM 185 CE2 TYR A 24 15.867 0.687 -15.500 1.00 0.30 C +ATOM 186 OH TYR A 24 13.984 1.318 -14.180 1.00 0.30 O +ATOM 187 CZ TYR A 24 14.594 0.425 -15.031 1.00 0.30 C +ATOM 188 N GLU A 25 18.688 -4.957 -17.922 1.00 0.56 N +ATOM 189 CA GLU A 25 19.359 -5.699 -18.984 1.00 0.56 C +ATOM 190 C GLU A 25 19.984 -6.980 -18.453 1.00 0.56 C +ATOM 191 CB GLU A 25 20.422 -4.832 -19.656 1.00 0.56 C +ATOM 192 O GLU A 25 20.156 -7.949 -19.203 1.00 0.56 O +ATOM 193 CG GLU A 25 19.859 -3.613 -20.375 1.00 0.56 C +ATOM 194 CD GLU A 25 20.922 -2.781 -21.078 1.00 0.56 C +ATOM 195 OE1 GLU A 25 20.594 -1.734 -21.672 1.00 0.56 O +ATOM 196 OE2 GLU A 25 22.109 -3.182 -21.016 1.00 0.56 O +ATOM 197 N TYR A 26 20.266 -6.941 -17.141 1.00 0.14 N +ATOM 198 CA TYR A 26 21.031 -8.070 -16.625 1.00 0.14 C +ATOM 199 C TYR A 26 20.453 -8.555 -15.297 1.00 0.14 C +ATOM 200 CB TYR A 26 22.500 -7.691 -16.438 1.00 0.14 C +ATOM 201 O TYR A 26 19.984 -7.750 -14.492 1.00 0.14 O +ATOM 202 CG TYR A 26 23.203 -7.320 -17.734 1.00 0.14 C +ATOM 203 CD1 TYR A 26 23.812 -8.289 -18.516 1.00 0.14 C +ATOM 204 CD2 TYR A 26 23.234 -6.000 -18.172 1.00 0.14 C +ATOM 205 CE1 TYR A 26 24.453 -7.953 -19.703 1.00 0.14 C +ATOM 206 CE2 TYR A 26 23.875 -5.652 -19.359 1.00 0.14 C +ATOM 207 OH TYR A 26 25.109 -6.293 -21.281 1.00 0.14 O +ATOM 208 CZ TYR A 26 24.484 -6.633 -20.109 1.00 0.14 C +ATOM 209 N PRO A 27 20.562 -9.898 -15.133 1.00 0.33 N +ATOM 210 CA PRO A 27 20.219 -10.422 -13.812 1.00 0.33 C +ATOM 211 C PRO A 27 21.078 -9.828 -12.695 1.00 0.33 C +ATOM 212 CB PRO A 27 20.469 -11.930 -13.945 1.00 0.33 C +ATOM 213 O PRO A 27 22.250 -9.523 -12.922 1.00 0.33 O +ATOM 214 CG PRO A 27 20.297 -12.203 -15.406 1.00 0.33 C +ATOM 215 CD PRO A 27 20.812 -11.023 -16.188 1.00 0.33 C +ATOM 216 N GLN A 28 20.391 -9.695 -11.492 1.00 0.08 N +ATOM 217 CA GLN A 28 21.047 -9.008 -10.391 1.00 0.08 C +ATOM 218 C GLN A 28 21.531 -10.000 -9.328 1.00 0.08 C +ATOM 219 CB GLN A 28 20.125 -7.977 -9.766 1.00 0.08 C +ATOM 220 O GLN A 28 21.422 -9.734 -8.133 1.00 0.08 O +ATOM 221 CG GLN A 28 19.656 -6.898 -10.734 1.00 0.08 C +ATOM 222 CD GLN A 28 20.797 -6.055 -11.266 1.00 0.08 C +ATOM 223 NE2 GLN A 28 20.984 -6.070 -12.578 1.00 0.08 N +ATOM 224 OE1 GLN A 28 21.500 -5.391 -10.500 1.00 0.08 O +ATOM 225 N TYR A 29 22.156 -11.094 -9.711 1.00 0.34 N +ATOM 226 CA TYR A 29 22.547 -12.172 -8.812 1.00 0.34 C +ATOM 227 C TYR A 29 23.719 -11.758 -7.934 1.00 0.34 C +ATOM 228 CB TYR A 29 22.906 -13.438 -9.602 1.00 0.34 C +ATOM 229 O TYR A 29 24.000 -12.391 -6.910 1.00 0.34 O +ATOM 230 CG TYR A 29 21.734 -14.039 -10.344 1.00 0.34 C +ATOM 231 CD1 TYR A 29 20.500 -14.219 -9.711 1.00 0.34 C +ATOM 232 CD2 TYR A 29 21.859 -14.438 -11.664 1.00 0.34 C +ATOM 233 CE1 TYR A 29 19.422 -14.773 -10.391 1.00 0.34 C +ATOM 234 CE2 TYR A 29 20.781 -15.000 -12.352 1.00 0.34 C +ATOM 235 OH TYR A 29 18.516 -15.719 -12.383 1.00 0.34 O +ATOM 236 CZ TYR A 29 19.578 -15.164 -11.711 1.00 0.34 C +ATOM 237 N TYR A 30 24.312 -10.680 -8.328 1.00 4.96 N +ATOM 238 CA TYR A 30 25.438 -10.211 -7.527 1.00 4.96 C +ATOM 239 C TYR A 30 24.938 -9.461 -6.293 1.00 4.96 C +ATOM 240 CB TYR A 30 26.344 -9.312 -8.359 1.00 4.96 C +ATOM 241 O TYR A 30 25.719 -9.227 -5.355 1.00 4.96 O +ATOM 242 CG TYR A 30 25.703 -8.016 -8.789 1.00 4.96 C +ATOM 243 CD1 TYR A 30 24.922 -7.961 -9.945 1.00 4.96 C +ATOM 244 CD2 TYR A 30 25.859 -6.855 -8.047 1.00 4.96 C +ATOM 245 CE1 TYR A 30 24.328 -6.770 -10.352 1.00 4.96 C +ATOM 246 CE2 TYR A 30 25.266 -5.660 -8.445 1.00 4.96 C +ATOM 247 OH TYR A 30 23.906 -4.449 -9.992 1.00 4.96 O +ATOM 248 CZ TYR A 30 24.500 -5.629 -9.594 1.00 4.96 C +ATOM 249 N LEU A 31 23.578 -8.992 -6.336 1.00 0.08 N +ATOM 250 CA LEU A 31 23.016 -8.258 -5.203 1.00 0.08 C +ATOM 251 C LEU A 31 22.688 -9.203 -4.055 1.00 0.08 C +ATOM 252 CB LEU A 31 21.766 -7.492 -5.633 1.00 0.08 C +ATOM 253 O LEU A 31 22.938 -8.875 -2.889 1.00 0.08 O +ATOM 254 CG LEU A 31 21.969 -6.312 -6.582 1.00 0.08 C +ATOM 255 CD1 LEU A 31 20.641 -5.664 -6.934 1.00 0.08 C +ATOM 256 CD2 LEU A 31 22.922 -5.293 -5.969 1.00 0.08 C +ATOM 257 N VAL A 32 22.141 -10.359 -4.387 1.00 0.01 N +ATOM 258 CA VAL A 32 21.734 -11.336 -3.389 1.00 0.01 C +ATOM 259 C VAL A 32 21.781 -12.742 -3.990 1.00 0.01 C +ATOM 260 CB VAL A 32 20.312 -11.039 -2.850 1.00 0.01 C +ATOM 261 O VAL A 32 21.859 -12.898 -5.211 1.00 0.01 O +ATOM 262 CG1 VAL A 32 20.312 -9.742 -2.047 1.00 0.01 C +ATOM 263 CG2 VAL A 32 19.312 -10.969 -4.000 1.00 0.01 C +ATOM 264 N ASN A 33 21.766 -13.734 -3.146 1.00 0.25 N +ATOM 265 CA ASN A 33 21.703 -15.133 -3.559 1.00 0.25 C +ATOM 266 C ASN A 33 20.484 -15.414 -4.418 1.00 0.25 C +ATOM 267 CB ASN A 33 21.734 -16.047 -2.338 1.00 0.25 C +ATOM 268 O ASN A 33 19.391 -14.930 -4.125 1.00 0.25 O +ATOM 269 CG ASN A 33 21.875 -17.516 -2.709 1.00 0.25 C +ATOM 270 ND2 ASN A 33 22.781 -18.219 -2.027 1.00 0.25 N +ATOM 271 OD1 ASN A 33 21.188 -18.016 -3.605 1.00 0.25 O +ATOM 272 N PRO A 34 20.688 -16.125 -5.500 1.00 2.18 N +ATOM 273 CA PRO A 34 19.562 -16.484 -6.375 1.00 2.18 C +ATOM 274 C PRO A 34 18.391 -17.109 -5.605 1.00 2.18 C +ATOM 275 CB PRO A 34 20.172 -17.516 -7.332 1.00 2.18 C +ATOM 276 O PRO A 34 17.250 -17.031 -6.059 1.00 2.18 O +ATOM 277 CG PRO A 34 21.609 -17.125 -7.438 1.00 2.18 C +ATOM 278 CD PRO A 34 22.078 -16.609 -6.098 1.00 2.18 C +ATOM 279 N ALA A 35 18.641 -17.750 -4.535 1.00 0.10 N +ATOM 280 CA ALA A 35 17.578 -18.312 -3.705 1.00 0.10 C +ATOM 281 C ALA A 35 16.625 -17.219 -3.223 1.00 0.10 C +ATOM 282 CB ALA A 35 18.172 -19.062 -2.514 1.00 0.10 C +ATOM 283 O ALA A 35 15.422 -17.453 -3.082 1.00 0.10 O +ATOM 284 N ALA A 36 17.156 -16.031 -2.943 1.00 0.82 N +ATOM 285 CA ALA A 36 16.328 -14.906 -2.482 1.00 0.82 C +ATOM 286 C ALA A 36 15.320 -14.492 -3.547 1.00 0.82 C +ATOM 287 CB ALA A 36 17.219 -13.719 -2.105 1.00 0.82 C +ATOM 288 O ALA A 36 14.180 -14.141 -3.229 1.00 0.82 O +ATOM 289 N PHE A 37 15.680 -14.516 -4.766 1.00 2.15 N +ATOM 290 CA PHE A 37 14.766 -14.203 -5.859 1.00 2.15 C +ATOM 291 C PHE A 37 13.648 -15.242 -5.938 1.00 2.15 C +ATOM 292 CB PHE A 37 15.516 -14.148 -7.191 1.00 2.15 C +ATOM 293 O PHE A 37 12.492 -14.898 -6.203 1.00 2.15 O +ATOM 294 CG PHE A 37 16.469 -12.984 -7.297 1.00 2.15 C +ATOM 295 CD1 PHE A 37 16.047 -11.766 -7.809 1.00 2.15 C +ATOM 296 CD2 PHE A 37 17.781 -13.109 -6.883 1.00 2.15 C +ATOM 297 CE1 PHE A 37 16.922 -10.688 -7.910 1.00 2.15 C +ATOM 298 CE2 PHE A 37 18.672 -12.039 -6.980 1.00 2.15 C +ATOM 299 CZ PHE A 37 18.234 -10.828 -7.496 1.00 2.15 C +ATOM 300 N ALA A 38 14.039 -16.516 -5.734 1.00 1.49 N +ATOM 301 CA ALA A 38 13.039 -17.578 -5.719 1.00 1.49 C +ATOM 302 C ALA A 38 12.031 -17.375 -4.590 1.00 1.49 C +ATOM 303 CB ALA A 38 13.711 -18.938 -5.582 1.00 1.49 C +ATOM 304 O ALA A 38 10.828 -17.547 -4.785 1.00 1.49 O +ATOM 305 N VAL A 39 12.516 -16.953 -3.465 1.00 0.01 N +ATOM 306 CA VAL A 39 11.656 -16.688 -2.312 1.00 0.01 C +ATOM 307 C VAL A 39 10.703 -15.539 -2.619 1.00 0.01 C +ATOM 308 CB VAL A 39 12.484 -16.375 -1.047 1.00 0.01 C +ATOM 309 O VAL A 39 9.516 -15.617 -2.318 1.00 0.01 O +ATOM 310 CG1 VAL A 39 11.578 -15.906 0.088 1.00 0.01 C +ATOM 311 CG2 VAL A 39 13.289 -17.609 -0.619 1.00 0.01 C +ATOM 312 N LEU A 40 11.281 -14.508 -3.221 1.00 0.00 N +ATOM 313 CA LEU A 40 10.453 -13.375 -3.607 1.00 0.00 C +ATOM 314 C LEU A 40 9.359 -13.805 -4.578 1.00 0.00 C +ATOM 315 CB LEU A 40 11.320 -12.273 -4.242 1.00 0.00 C +ATOM 316 O LEU A 40 8.195 -13.422 -4.418 1.00 0.00 O +ATOM 317 CG LEU A 40 10.578 -11.031 -4.738 1.00 0.00 C +ATOM 318 CD1 LEU A 40 9.836 -10.359 -3.582 1.00 0.00 C +ATOM 319 CD2 LEU A 40 11.547 -10.062 -5.395 1.00 0.00 C +ATOM 320 N GLY A 41 9.773 -14.555 -5.570 1.00 0.13 N +ATOM 321 CA GLY A 41 8.805 -15.086 -6.516 1.00 0.13 C +ATOM 322 C GLY A 41 7.730 -15.930 -5.855 1.00 0.13 C +ATOM 323 O GLY A 41 6.547 -15.789 -6.168 1.00 0.13 O +ATOM 324 N ALA A 42 8.109 -16.828 -4.945 1.00 2.71 N +ATOM 325 CA ALA A 42 7.168 -17.672 -4.219 1.00 2.71 C +ATOM 326 C ALA A 42 6.203 -16.828 -3.389 1.00 2.71 C +ATOM 327 CB ALA A 42 7.914 -18.656 -3.324 1.00 2.71 C +ATOM 328 O ALA A 42 5.000 -17.109 -3.350 1.00 2.71 O +ATOM 329 N TYR A 43 6.723 -15.836 -2.775 1.00 1.58 N +ATOM 330 CA TYR A 43 5.902 -14.938 -1.971 1.00 1.58 C +ATOM 331 C TYR A 43 4.875 -14.219 -2.834 1.00 1.58 C +ATOM 332 CB TYR A 43 6.781 -13.914 -1.240 1.00 1.58 C +ATOM 333 O TYR A 43 3.701 -14.117 -2.467 1.00 1.58 O +ATOM 334 CG TYR A 43 5.996 -12.914 -0.428 1.00 1.58 C +ATOM 335 CD1 TYR A 43 6.008 -11.562 -0.760 1.00 1.58 C +ATOM 336 CD2 TYR A 43 5.246 -13.312 0.671 1.00 1.58 C +ATOM 337 CE1 TYR A 43 5.289 -10.633 -0.014 1.00 1.58 C +ATOM 338 CE2 TYR A 43 4.523 -12.398 1.424 1.00 1.58 C +ATOM 339 OH TYR A 43 3.840 -10.141 1.816 1.00 1.58 O +ATOM 340 CZ TYR A 43 4.555 -11.055 1.074 1.00 1.58 C +ATOM 341 N MET A 44 5.297 -13.672 -3.939 1.00 0.00 N +ATOM 342 CA MET A 44 4.375 -13.000 -4.852 1.00 0.00 C +ATOM 343 C MET A 44 3.303 -13.969 -5.348 1.00 0.00 C +ATOM 344 CB MET A 44 5.133 -12.406 -6.043 1.00 0.00 C +ATOM 345 O MET A 44 2.133 -13.602 -5.457 1.00 0.00 O +ATOM 346 CG MET A 44 6.059 -11.266 -5.668 1.00 0.00 C +ATOM 347 SD MET A 44 5.180 -9.906 -4.797 1.00 0.00 S +ATOM 348 CE MET A 44 6.594 -9.023 -4.074 1.00 0.00 C +ATOM 349 N PHE A 45 3.777 -15.133 -5.656 1.00 0.14 N +ATOM 350 CA PHE A 45 2.834 -16.156 -6.070 1.00 0.14 C +ATOM 351 C PHE A 45 1.789 -16.406 -4.988 1.00 0.14 C +ATOM 352 CB PHE A 45 3.570 -17.469 -6.395 1.00 0.14 C +ATOM 353 O PHE A 45 0.596 -16.500 -5.281 1.00 0.14 O +ATOM 354 CG PHE A 45 2.664 -18.578 -6.863 1.00 0.14 C +ATOM 355 CD1 PHE A 45 2.412 -19.672 -6.055 1.00 0.14 C +ATOM 356 CD2 PHE A 45 2.066 -18.516 -8.117 1.00 0.14 C +ATOM 357 CE1 PHE A 45 1.574 -20.703 -6.488 1.00 0.14 C +ATOM 358 CE2 PHE A 45 1.229 -19.531 -8.555 1.00 0.14 C +ATOM 359 CZ PHE A 45 0.984 -20.625 -7.742 1.00 0.14 C +ATOM 360 N PHE A 46 2.227 -16.516 -3.773 1.00 0.03 N +ATOM 361 CA PHE A 46 1.328 -16.656 -2.635 1.00 0.03 C +ATOM 362 C PHE A 46 0.315 -15.523 -2.590 1.00 0.03 C +ATOM 363 CB PHE A 46 2.121 -16.719 -1.325 1.00 0.03 C +ATOM 364 O PHE A 46 -0.884 -15.758 -2.430 1.00 0.03 O +ATOM 365 CG PHE A 46 1.269 -16.562 -0.093 1.00 0.03 C +ATOM 366 CD1 PHE A 46 1.163 -15.352 0.560 1.00 0.03 C +ATOM 367 CD2 PHE A 46 0.572 -17.656 0.412 1.00 0.03 C +ATOM 368 CE1 PHE A 46 0.375 -15.211 1.700 1.00 0.03 C +ATOM 369 CE2 PHE A 46 -0.218 -17.531 1.551 1.00 0.03 C +ATOM 370 CZ PHE A 46 -0.315 -16.312 2.193 1.00 0.03 C +ATOM 371 N LEU A 47 0.770 -14.328 -2.713 1.00 0.56 N +ATOM 372 CA LEU A 47 -0.115 -13.164 -2.674 1.00 0.56 C +ATOM 373 C LEU A 47 -1.136 -13.227 -3.805 1.00 0.56 C +ATOM 374 CB LEU A 47 0.696 -11.875 -2.768 1.00 0.56 C +ATOM 375 O LEU A 47 -2.303 -12.883 -3.611 1.00 0.56 O +ATOM 376 CG LEU A 47 1.598 -11.547 -1.576 1.00 0.56 C +ATOM 377 CD1 LEU A 47 2.342 -10.234 -1.814 1.00 0.56 C +ATOM 378 CD2 LEU A 47 0.780 -11.477 -0.290 1.00 0.56 C +ATOM 379 N ILE A 48 -0.759 -13.703 -4.910 1.00 0.11 N +ATOM 380 CA ILE A 48 -1.618 -13.758 -6.086 1.00 0.11 C +ATOM 381 C ILE A 48 -2.695 -14.820 -5.891 1.00 0.11 C +ATOM 382 CB ILE A 48 -0.805 -14.047 -7.367 1.00 0.11 C +ATOM 383 O ILE A 48 -3.879 -14.562 -6.121 1.00 0.11 O +ATOM 384 CG1 ILE A 48 0.085 -12.852 -7.719 1.00 0.11 C +ATOM 385 CG2 ILE A 48 -1.736 -14.398 -8.531 1.00 0.11 C +ATOM 386 CD1 ILE A 48 1.172 -13.164 -8.742 1.00 0.11 C +ATOM 387 N ILE A 49 -2.381 -15.977 -5.469 1.00 1.05 N +ATOM 388 CA ILE A 49 -3.297 -17.109 -5.379 1.00 1.05 C +ATOM 389 C ILE A 49 -4.328 -16.859 -4.281 1.00 1.05 C +ATOM 390 CB ILE A 49 -2.541 -18.438 -5.105 1.00 1.05 C +ATOM 391 O ILE A 49 -5.469 -17.312 -4.375 1.00 1.05 O +ATOM 392 CG1 ILE A 49 -3.426 -19.641 -5.453 1.00 1.05 C +ATOM 393 CG2 ILE A 49 -2.076 -18.500 -3.650 1.00 1.05 C +ATOM 394 CD1 ILE A 49 -2.646 -20.875 -5.852 1.00 1.05 C +ATOM 395 N PHE A 50 -3.941 -16.047 -3.318 1.00 0.25 N +ATOM 396 CA PHE A 50 -4.887 -15.766 -2.248 1.00 0.25 C +ATOM 397 C PHE A 50 -5.531 -14.398 -2.451 1.00 0.25 C +ATOM 398 CB PHE A 50 -4.191 -15.820 -0.883 1.00 0.25 C +ATOM 399 O PHE A 50 -6.723 -14.227 -2.188 1.00 0.25 O +ATOM 400 CG PHE A 50 -3.916 -17.219 -0.398 1.00 0.25 C +ATOM 401 CD1 PHE A 50 -4.918 -17.969 0.202 1.00 0.25 C +ATOM 402 CD2 PHE A 50 -2.654 -17.781 -0.542 1.00 0.25 C +ATOM 403 CE1 PHE A 50 -4.664 -19.266 0.652 1.00 0.25 C +ATOM 404 CE2 PHE A 50 -2.393 -19.062 -0.095 1.00 0.25 C +ATOM 405 CZ PHE A 50 -3.400 -19.812 0.503 1.00 0.25 C +ATOM 406 N GLY A 51 -4.742 -13.516 -2.904 1.00 0.00 N +ATOM 407 CA GLY A 51 -5.215 -12.148 -3.076 1.00 0.00 C +ATOM 408 C GLY A 51 -6.270 -12.008 -4.160 1.00 0.00 C +ATOM 409 O GLY A 51 -7.270 -11.320 -3.973 1.00 0.00 O +ATOM 410 N PHE A 52 -6.055 -12.695 -5.258 1.00 0.85 N +ATOM 411 CA PHE A 52 -6.977 -12.555 -6.379 1.00 0.85 C +ATOM 412 C PHE A 52 -8.344 -13.117 -6.031 1.00 0.85 C +ATOM 413 CB PHE A 52 -6.422 -13.250 -7.625 1.00 0.85 C +ATOM 414 O PHE A 52 -9.359 -12.414 -6.113 1.00 0.85 O +ATOM 415 CG PHE A 52 -7.285 -13.086 -8.852 1.00 0.85 C +ATOM 416 CD1 PHE A 52 -8.250 -14.039 -9.164 1.00 0.85 C +ATOM 417 CD2 PHE A 52 -7.137 -11.984 -9.680 1.00 0.85 C +ATOM 418 CE1 PHE A 52 -9.047 -13.891 -10.297 1.00 0.85 C +ATOM 419 CE2 PHE A 52 -7.934 -11.828 -10.812 1.00 0.85 C +ATOM 420 CZ PHE A 52 -8.891 -12.789 -11.117 1.00 0.85 C +ATOM 421 N PRO A 53 -8.359 -14.375 -5.570 1.00 2.16 N +ATOM 422 CA PRO A 53 -9.680 -14.953 -5.305 1.00 2.16 C +ATOM 423 C PRO A 53 -10.453 -14.195 -4.234 1.00 2.16 C +ATOM 424 CB PRO A 53 -9.344 -16.375 -4.836 1.00 2.16 C +ATOM 425 O PRO A 53 -11.656 -13.969 -4.383 1.00 2.16 O +ATOM 426 CG PRO A 53 -8.023 -16.688 -5.465 1.00 2.16 C +ATOM 427 CD PRO A 53 -7.227 -15.422 -5.547 1.00 2.16 C +ATOM 428 N ILE A 54 -9.844 -13.836 -3.156 1.00 0.05 N +ATOM 429 CA ILE A 54 -10.531 -13.188 -2.045 1.00 0.05 C +ATOM 430 C ILE A 54 -11.086 -11.844 -2.496 1.00 0.05 C +ATOM 431 CB ILE A 54 -9.594 -13.000 -0.831 1.00 0.05 C +ATOM 432 O ILE A 54 -12.219 -11.484 -2.158 1.00 0.05 O +ATOM 433 CG1 ILE A 54 -10.398 -12.586 0.407 1.00 0.05 C +ATOM 434 CG2 ILE A 54 -8.500 -11.969 -1.145 1.00 0.05 C +ATOM 435 CD1 ILE A 54 -9.609 -12.648 1.707 1.00 0.05 C +ATOM 436 N ASN A 55 -10.344 -11.133 -3.248 1.00 0.00 N +ATOM 437 CA ASN A 55 -10.789 -9.820 -3.703 1.00 0.00 C +ATOM 438 C ASN A 55 -11.828 -9.945 -4.812 1.00 0.00 C +ATOM 439 CB ASN A 55 -9.602 -8.984 -4.176 1.00 0.00 C +ATOM 440 O ASN A 55 -12.797 -9.180 -4.848 1.00 0.00 O +ATOM 441 CG ASN A 55 -8.766 -8.453 -3.027 1.00 0.00 C +ATOM 442 ND2 ASN A 55 -7.605 -9.062 -2.811 1.00 0.00 N +ATOM 443 OD1 ASN A 55 -9.164 -7.508 -2.340 1.00 0.00 O +ATOM 444 N PHE A 56 -11.641 -10.883 -5.676 1.00 0.05 N +ATOM 445 CA PHE A 56 -12.633 -11.133 -6.715 1.00 0.05 C +ATOM 446 C PHE A 56 -13.953 -11.586 -6.105 1.00 0.05 C +ATOM 447 CB PHE A 56 -12.117 -12.195 -7.699 1.00 0.05 C +ATOM 448 O PHE A 56 -15.016 -11.102 -6.492 1.00 0.05 O +ATOM 449 CG PHE A 56 -13.055 -12.453 -8.852 1.00 0.05 C +ATOM 450 CD1 PHE A 56 -13.969 -13.492 -8.805 1.00 0.05 C +ATOM 451 CD2 PHE A 56 -13.008 -11.648 -9.984 1.00 0.05 C +ATOM 452 CE1 PHE A 56 -14.836 -13.727 -9.867 1.00 0.05 C +ATOM 453 CE2 PHE A 56 -13.867 -11.883 -11.055 1.00 0.05 C +ATOM 454 CZ PHE A 56 -14.781 -12.922 -10.992 1.00 0.05 C +ATOM 455 N LEU A 57 -13.883 -12.492 -5.184 1.00 0.11 N +ATOM 456 CA LEU A 57 -15.078 -13.000 -4.516 1.00 0.11 C +ATOM 457 C LEU A 57 -15.805 -11.875 -3.783 1.00 0.11 C +ATOM 458 CB LEU A 57 -14.711 -14.109 -3.529 1.00 0.11 C +ATOM 459 O LEU A 57 -17.031 -11.828 -3.770 1.00 0.11 O +ATOM 460 CG LEU A 57 -15.883 -14.875 -2.908 1.00 0.11 C +ATOM 461 CD1 LEU A 57 -16.719 -15.531 -3.996 1.00 0.11 C +ATOM 462 CD2 LEU A 57 -15.367 -15.922 -1.918 1.00 0.11 C +ATOM 463 N THR A 58 -15.078 -11.023 -3.172 1.00 0.00 N +ATOM 464 CA THR A 58 -15.664 -9.875 -2.494 1.00 0.00 C +ATOM 465 C THR A 58 -16.500 -9.047 -3.461 1.00 0.00 C +ATOM 466 CB THR A 58 -14.586 -8.984 -1.855 1.00 0.00 C +ATOM 467 O THR A 58 -17.625 -8.656 -3.141 1.00 0.00 O +ATOM 468 CG2 THR A 58 -15.195 -7.746 -1.215 1.00 0.00 C +ATOM 469 OG1 THR A 58 -13.891 -9.734 -0.850 1.00 0.00 O +ATOM 470 N LEU A 59 -15.977 -8.828 -4.637 1.00 0.00 N +ATOM 471 CA LEU A 59 -16.703 -8.078 -5.656 1.00 0.00 C +ATOM 472 C LEU A 59 -17.922 -8.852 -6.129 1.00 0.00 C +ATOM 473 CB LEU A 59 -15.789 -7.762 -6.848 1.00 0.00 C +ATOM 474 O LEU A 59 -19.031 -8.289 -6.207 1.00 0.00 O +ATOM 475 CG LEU A 59 -14.672 -6.754 -6.598 1.00 0.00 C +ATOM 476 CD1 LEU A 59 -13.734 -6.695 -7.797 1.00 0.00 C +ATOM 477 CD2 LEU A 59 -15.242 -5.379 -6.289 1.00 0.00 C +ATOM 478 N TYR A 60 -17.672 -10.062 -6.418 1.00 0.28 N +ATOM 479 CA TYR A 60 -18.734 -10.914 -6.934 1.00 0.28 C +ATOM 480 C TYR A 60 -19.875 -11.031 -5.930 1.00 0.28 C +ATOM 481 CB TYR A 60 -18.188 -12.312 -7.270 1.00 0.28 C +ATOM 482 O TYR A 60 -21.047 -10.883 -6.285 1.00 0.28 O +ATOM 483 CG TYR A 60 -19.250 -13.273 -7.746 1.00 0.28 C +ATOM 484 CD1 TYR A 60 -19.719 -14.281 -6.910 1.00 0.28 C +ATOM 485 CD2 TYR A 60 -19.766 -13.180 -9.031 1.00 0.28 C +ATOM 486 CE1 TYR A 60 -20.688 -15.180 -7.344 1.00 0.28 C +ATOM 487 CE2 TYR A 60 -20.750 -14.070 -9.477 1.00 0.28 C +ATOM 488 OH TYR A 60 -22.156 -15.945 -9.062 1.00 0.28 O +ATOM 489 CZ TYR A 60 -21.203 -15.062 -8.625 1.00 0.28 C +ATOM 490 N VAL A 61 -19.609 -11.305 -4.656 1.00 1.50 N +ATOM 491 CA VAL A 61 -20.609 -11.500 -3.609 1.00 1.50 C +ATOM 492 C VAL A 61 -21.406 -10.211 -3.396 1.00 1.50 C +ATOM 493 CB VAL A 61 -19.953 -11.945 -2.281 1.00 1.50 C +ATOM 494 O VAL A 61 -22.625 -10.250 -3.213 1.00 1.50 O +ATOM 495 CG1 VAL A 61 -20.969 -11.875 -1.134 1.00 1.50 C +ATOM 496 CG2 VAL A 61 -19.391 -13.359 -2.416 1.00 1.50 C +ATOM 497 N THR A 62 -20.719 -9.141 -3.402 1.00 0.00 N +ATOM 498 CA THR A 62 -21.406 -7.867 -3.232 1.00 0.00 C +ATOM 499 C THR A 62 -22.391 -7.617 -4.379 1.00 0.00 C +ATOM 500 CB THR A 62 -20.406 -6.699 -3.148 1.00 0.00 C +ATOM 501 O THR A 62 -23.500 -7.117 -4.164 1.00 0.00 O +ATOM 502 CG2 THR A 62 -21.125 -5.371 -2.938 1.00 0.00 C +ATOM 503 OG1 THR A 62 -19.516 -6.926 -2.053 1.00 0.00 O +ATOM 504 N LEU A 63 -21.984 -7.992 -5.605 1.00 0.41 N +ATOM 505 CA LEU A 63 -22.844 -7.816 -6.777 1.00 0.41 C +ATOM 506 C LEU A 63 -24.016 -8.781 -6.742 1.00 0.41 C +ATOM 507 CB LEU A 63 -22.031 -8.023 -8.062 1.00 0.41 C +ATOM 508 O LEU A 63 -25.125 -8.438 -7.180 1.00 0.41 O +ATOM 509 CG LEU A 63 -21.016 -6.934 -8.398 1.00 0.41 C +ATOM 510 CD1 LEU A 63 -20.203 -7.332 -9.633 1.00 0.41 C +ATOM 511 CD2 LEU A 63 -21.719 -5.594 -8.625 1.00 0.41 C +ATOM 512 N GLU A 64 -23.812 -9.938 -6.281 1.00 0.01 N +ATOM 513 CA GLU A 64 -24.812 -11.000 -6.258 1.00 0.01 C +ATOM 514 C GLU A 64 -25.891 -10.727 -5.207 1.00 0.01 C +ATOM 515 CB GLU A 64 -24.156 -12.352 -5.996 1.00 0.01 C +ATOM 516 O GLU A 64 -27.062 -11.031 -5.418 1.00 0.01 O +ATOM 517 CG GLU A 64 -25.125 -13.523 -6.027 1.00 0.01 C +ATOM 518 CD GLU A 64 -24.438 -14.875 -5.891 1.00 0.01 C +ATOM 519 OE1 GLU A 64 -25.141 -15.914 -5.852 1.00 0.01 O +ATOM 520 OE2 GLU A 64 -23.188 -14.898 -5.824 1.00 0.01 O +ATOM 521 N HIS A 65 -25.469 -10.117 -4.051 1.00 0.08 N +ATOM 522 CA HIS A 65 -26.406 -9.945 -2.938 1.00 0.08 C +ATOM 523 C HIS A 65 -26.750 -8.469 -2.740 1.00 0.08 C +ATOM 524 CB HIS A 65 -25.797 -10.516 -1.650 1.00 0.08 C +ATOM 525 O HIS A 65 -25.938 -7.691 -2.250 1.00 0.08 O +ATOM 526 CG HIS A 65 -25.594 -11.992 -1.693 1.00 0.08 C +ATOM 527 CD2 HIS A 65 -24.516 -12.727 -2.092 1.00 0.08 C +ATOM 528 ND1 HIS A 65 -26.547 -12.898 -1.295 1.00 0.08 N +ATOM 529 CE1 HIS A 65 -26.078 -14.125 -1.446 1.00 0.08 C +ATOM 530 NE2 HIS A 65 -24.859 -14.047 -1.928 1.00 0.08 N +ATOM 531 N LYS A 66 -28.078 -8.148 -2.994 1.00 0.00 N +ATOM 532 CA LYS A 66 -28.562 -6.773 -2.943 1.00 0.00 C +ATOM 533 C LYS A 66 -28.438 -6.195 -1.537 1.00 0.00 C +ATOM 534 CB LYS A 66 -30.031 -6.707 -3.406 1.00 0.00 C +ATOM 535 O LYS A 66 -28.234 -4.992 -1.372 1.00 0.00 O +ATOM 536 CG LYS A 66 -30.203 -6.922 -4.902 1.00 0.00 C +ATOM 537 CD LYS A 66 -31.656 -6.730 -5.316 1.00 0.00 C +ATOM 538 CE LYS A 66 -31.859 -6.992 -6.805 1.00 0.00 C +ATOM 539 NZ LYS A 66 -33.250 -6.715 -7.238 1.00 0.00 N +ATOM 540 N LYS A 67 -28.500 -7.066 -0.614 1.00 0.06 N +ATOM 541 CA LYS A 67 -28.469 -6.648 0.785 1.00 0.06 C +ATOM 542 C LYS A 67 -27.109 -6.074 1.155 1.00 0.06 C +ATOM 543 CB LYS A 67 -28.812 -7.824 1.703 1.00 0.06 C +ATOM 544 O LYS A 67 -26.984 -5.340 2.137 1.00 0.06 O +ATOM 545 CG LYS A 67 -27.859 -9.000 1.581 1.00 0.06 C +ATOM 546 CD LYS A 67 -28.266 -10.156 2.488 1.00 0.06 C +ATOM 547 CE LYS A 67 -27.359 -11.359 2.307 1.00 0.06 C +ATOM 548 NZ LYS A 67 -27.797 -12.516 3.156 1.00 0.06 N +ATOM 549 N LEU A 68 -26.047 -6.484 0.399 1.00 0.00 N +ATOM 550 CA LEU A 68 -24.703 -6.020 0.689 1.00 0.00 C +ATOM 551 C LEU A 68 -24.406 -4.715 -0.039 1.00 0.00 C +ATOM 552 CB LEU A 68 -23.672 -7.082 0.292 1.00 0.00 C +ATOM 553 O LEU A 68 -23.375 -4.078 0.205 1.00 0.00 O +ATOM 554 CG LEU A 68 -23.703 -8.391 1.083 1.00 0.00 C +ATOM 555 CD1 LEU A 68 -22.641 -9.352 0.562 1.00 0.00 C +ATOM 556 CD2 LEU A 68 -23.516 -8.125 2.570 1.00 0.00 C +ATOM 557 N ARG A 69 -25.281 -4.238 -0.891 1.00 0.12 N +ATOM 558 CA ARG A 69 -25.078 -3.029 -1.678 1.00 0.12 C +ATOM 559 C ARG A 69 -25.516 -1.790 -0.907 1.00 0.12 C +ATOM 560 CB ARG A 69 -25.812 -3.113 -3.010 1.00 0.12 C +ATOM 561 O ARG A 69 -26.469 -1.118 -1.300 1.00 0.12 O +ATOM 562 CG ARG A 69 -25.422 -4.309 -3.861 1.00 0.12 C +ATOM 563 CD ARG A 69 -26.266 -4.406 -5.125 1.00 0.12 C +ATOM 564 NE ARG A 69 -26.141 -5.715 -5.762 1.00 0.12 N +ATOM 565 NH1 ARG A 69 -27.953 -5.430 -7.172 1.00 0.12 N +ATOM 566 NH2 ARG A 69 -26.734 -7.375 -7.230 1.00 0.12 N +ATOM 567 CZ ARG A 69 -26.953 -6.172 -6.719 1.00 0.12 C +ATOM 568 N THR A 70 -24.844 -1.633 0.148 1.00 0.32 N +ATOM 569 CA THR A 70 -25.062 -0.481 1.017 1.00 0.32 C +ATOM 570 C THR A 70 -23.859 0.465 0.971 1.00 0.32 C +ATOM 571 CB THR A 70 -25.312 -0.919 2.471 1.00 0.32 C +ATOM 572 O THR A 70 -22.750 0.057 0.615 1.00 0.32 O +ATOM 573 CG2 THR A 70 -26.484 -1.896 2.553 1.00 0.32 C +ATOM 574 OG1 THR A 70 -24.141 -1.554 2.986 1.00 0.32 O +ATOM 575 N PRO A 71 -24.172 1.729 1.175 1.00 0.00 N +ATOM 576 CA PRO A 71 -23.094 2.719 1.141 1.00 0.00 C +ATOM 577 C PRO A 71 -21.906 2.318 2.000 1.00 0.00 C +ATOM 578 CB PRO A 71 -23.766 3.984 1.688 1.00 0.00 C +ATOM 579 O PRO A 71 -20.750 2.566 1.622 1.00 0.00 O +ATOM 580 CG PRO A 71 -25.203 3.848 1.319 1.00 0.00 C +ATOM 581 CD PRO A 71 -25.594 2.402 1.438 1.00 0.00 C +ATOM 582 N LEU A 72 -22.141 1.546 2.996 1.00 0.00 N +ATOM 583 CA LEU A 72 -21.062 1.152 3.904 1.00 0.00 C +ATOM 584 C LEU A 72 -20.156 0.119 3.250 1.00 0.00 C +ATOM 585 CB LEU A 72 -21.641 0.591 5.207 1.00 0.00 C +ATOM 586 O LEU A 72 -18.953 0.090 3.518 1.00 0.00 O +ATOM 587 CG LEU A 72 -22.297 1.603 6.152 1.00 0.00 C +ATOM 588 CD1 LEU A 72 -22.938 0.886 7.336 1.00 0.00 C +ATOM 589 CD2 LEU A 72 -21.266 2.625 6.625 1.00 0.00 C +ATOM 590 N ASN A 73 -20.672 -0.572 2.275 1.00 0.00 N +ATOM 591 CA ASN A 73 -19.922 -1.648 1.644 1.00 0.00 C +ATOM 592 C ASN A 73 -19.188 -1.159 0.402 1.00 0.00 C +ATOM 593 CB ASN A 73 -20.844 -2.814 1.287 1.00 0.00 C +ATOM 594 O ASN A 73 -18.344 -1.877 -0.150 1.00 0.00 O +ATOM 595 CG ASN A 73 -21.188 -3.682 2.484 1.00 0.00 C +ATOM 596 ND2 ASN A 73 -22.188 -4.539 2.334 1.00 0.00 N +ATOM 597 OD1 ASN A 73 -20.547 -3.580 3.537 1.00 0.00 O +ATOM 598 N TYR A 74 -19.484 0.069 -0.057 1.00 0.03 N +ATOM 599 CA TYR A 74 -18.812 0.612 -1.237 1.00 0.03 C +ATOM 600 C TYR A 74 -17.312 0.756 -1.002 1.00 0.03 C +ATOM 601 CB TYR A 74 -19.422 1.968 -1.617 1.00 0.03 C +ATOM 602 O TYR A 74 -16.516 0.593 -1.927 1.00 0.03 O +ATOM 603 CG TYR A 74 -20.750 1.865 -2.330 1.00 0.03 C +ATOM 604 CD1 TYR A 74 -21.438 0.661 -2.373 1.00 0.03 C +ATOM 605 CD2 TYR A 74 -21.297 2.971 -2.963 1.00 0.03 C +ATOM 606 CE1 TYR A 74 -22.672 0.561 -3.031 1.00 0.03 C +ATOM 607 CE2 TYR A 74 -22.516 2.883 -3.623 1.00 0.03 C +ATOM 608 OH TYR A 74 -24.406 1.582 -4.305 1.00 0.03 O +ATOM 609 CZ TYR A 74 -23.203 1.675 -3.652 1.00 0.03 C +ATOM 610 N ILE A 75 -16.984 1.090 0.224 1.00 0.02 N +ATOM 611 CA ILE A 75 -15.570 1.253 0.522 1.00 0.02 C +ATOM 612 C ILE A 75 -14.867 -0.098 0.425 1.00 0.02 C +ATOM 613 CB ILE A 75 -15.359 1.871 1.922 1.00 0.02 C +ATOM 614 O ILE A 75 -13.734 -0.181 -0.063 1.00 0.02 O +ATOM 615 CG1 ILE A 75 -15.820 3.332 1.938 1.00 0.02 C +ATOM 616 CG2 ILE A 75 -13.891 1.754 2.344 1.00 0.02 C +ATOM 617 CD1 ILE A 75 -15.883 3.945 3.328 1.00 0.02 C +ATOM 618 N LEU A 76 -15.602 -1.139 0.873 1.00 0.00 N +ATOM 619 CA LEU A 76 -15.062 -2.490 0.758 1.00 0.00 C +ATOM 620 C LEU A 76 -14.859 -2.871 -0.704 1.00 0.00 C +ATOM 621 CB LEU A 76 -16.000 -3.498 1.432 1.00 0.00 C +ATOM 622 O LEU A 76 -13.844 -3.482 -1.053 1.00 0.00 O +ATOM 623 CG LEU A 76 -16.094 -3.426 2.957 1.00 0.00 C +ATOM 624 CD1 LEU A 76 -17.125 -4.418 3.475 1.00 0.00 C +ATOM 625 CD2 LEU A 76 -14.727 -3.695 3.584 1.00 0.00 C +ATOM 626 N LEU A 77 -15.797 -2.506 -1.482 1.00 0.15 N +ATOM 627 CA LEU A 77 -15.695 -2.762 -2.914 1.00 0.15 C +ATOM 628 C LEU A 77 -14.508 -2.016 -3.518 1.00 0.15 C +ATOM 629 CB LEU A 77 -16.984 -2.348 -3.627 1.00 0.15 C +ATOM 630 O LEU A 77 -13.773 -2.572 -4.332 1.00 0.15 O +ATOM 631 CG LEU A 77 -18.234 -3.197 -3.330 1.00 0.15 C +ATOM 632 CD1 LEU A 77 -19.469 -2.553 -3.939 1.00 0.15 C +ATOM 633 CD2 LEU A 77 -18.047 -4.617 -3.857 1.00 0.15 C +ATOM 634 N ASN A 78 -14.398 -0.800 -3.094 1.00 0.00 N +ATOM 635 CA ASN A 78 -13.289 0.036 -3.539 1.00 0.00 C +ATOM 636 C ASN A 78 -11.938 -0.592 -3.195 1.00 0.00 C +ATOM 637 CB ASN A 78 -13.391 1.436 -2.928 1.00 0.00 C +ATOM 638 O ASN A 78 -11.031 -0.606 -4.023 1.00 0.00 O +ATOM 639 CG ASN A 78 -12.562 2.461 -3.674 1.00 0.00 C +ATOM 640 ND2 ASN A 78 -11.969 3.391 -2.938 1.00 0.00 N +ATOM 641 OD1 ASN A 78 -12.461 2.418 -4.902 1.00 0.00 O +ATOM 642 N LEU A 79 -11.812 -1.146 -2.021 1.00 0.00 N +ATOM 643 CA LEU A 79 -10.609 -1.824 -1.562 1.00 0.00 C +ATOM 644 C LEU A 79 -10.297 -3.039 -2.432 1.00 0.00 C +ATOM 645 CB LEU A 79 -10.758 -2.252 -0.099 1.00 0.00 C +ATOM 646 O LEU A 79 -9.141 -3.285 -2.777 1.00 0.00 O +ATOM 647 CG LEU A 79 -10.469 -1.182 0.954 1.00 0.00 C +ATOM 648 CD1 LEU A 79 -11.008 -1.612 2.311 1.00 0.00 C +ATOM 649 CD2 LEU A 79 -8.969 -0.903 1.037 1.00 0.00 C +ATOM 650 N ALA A 80 -11.352 -3.768 -2.721 1.00 0.07 N +ATOM 651 CA ALA A 80 -11.180 -4.957 -3.547 1.00 0.07 C +ATOM 652 C ALA A 80 -10.664 -4.594 -4.938 1.00 0.07 C +ATOM 653 CB ALA A 80 -12.500 -5.723 -3.658 1.00 0.07 C +ATOM 654 O ALA A 80 -9.766 -5.254 -5.465 1.00 0.07 O +ATOM 655 N VAL A 81 -11.227 -3.582 -5.473 1.00 0.30 N +ATOM 656 CA VAL A 81 -10.773 -3.115 -6.781 1.00 0.30 C +ATOM 657 C VAL A 81 -9.320 -2.660 -6.695 1.00 0.30 C +ATOM 658 CB VAL A 81 -11.664 -1.965 -7.305 1.00 0.30 C +ATOM 659 O VAL A 81 -8.508 -3.002 -7.559 1.00 0.30 O +ATOM 660 CG1 VAL A 81 -11.062 -1.356 -8.570 1.00 0.30 C +ATOM 661 CG2 VAL A 81 -13.086 -2.465 -7.566 1.00 0.30 C +ATOM 662 N ALA A 82 -8.969 -1.927 -5.684 1.00 0.00 N +ATOM 663 CA ALA A 82 -7.602 -1.456 -5.457 1.00 0.00 C +ATOM 664 C ALA A 82 -6.625 -2.625 -5.371 1.00 0.00 C +ATOM 665 CB ALA A 82 -7.535 -0.615 -4.184 1.00 0.00 C +ATOM 666 O ALA A 82 -5.574 -2.611 -6.016 1.00 0.00 O +ATOM 667 N ASP A 83 -7.023 -3.611 -4.664 1.00 0.06 N +ATOM 668 CA ASP A 83 -6.168 -4.773 -4.441 1.00 0.06 C +ATOM 669 C ASP A 83 -5.957 -5.551 -5.738 1.00 0.06 C +ATOM 670 CB ASP A 83 -6.770 -5.688 -3.371 1.00 0.06 C +ATOM 671 O ASP A 83 -4.871 -6.082 -5.977 1.00 0.06 O +ATOM 672 CG ASP A 83 -6.715 -5.082 -1.979 1.00 0.06 C +ATOM 673 OD1 ASP A 83 -5.898 -4.164 -1.743 1.00 0.06 O +ATOM 674 OD2 ASP A 83 -7.492 -5.531 -1.108 1.00 0.06 O +ATOM 675 N LEU A 84 -6.949 -5.551 -6.562 1.00 0.85 N +ATOM 676 CA LEU A 84 -6.824 -6.258 -7.832 1.00 0.85 C +ATOM 677 C LEU A 84 -5.844 -5.539 -8.758 1.00 0.85 C +ATOM 678 CB LEU A 84 -8.188 -6.383 -8.516 1.00 0.85 C +ATOM 679 O LEU A 84 -5.133 -6.184 -9.531 1.00 0.85 O +ATOM 680 CG LEU A 84 -9.156 -7.402 -7.910 1.00 0.85 C +ATOM 681 CD1 LEU A 84 -10.531 -7.273 -8.555 1.00 0.85 C +ATOM 682 CD2 LEU A 84 -8.617 -8.820 -8.078 1.00 0.85 C +ATOM 683 N PHE A 85 -5.805 -4.211 -8.672 1.00 0.08 N +ATOM 684 CA PHE A 85 -4.797 -3.461 -9.414 1.00 0.08 C +ATOM 685 C PHE A 85 -3.395 -3.893 -9.000 1.00 0.08 C +ATOM 686 CB PHE A 85 -4.973 -1.956 -9.188 1.00 0.08 C +ATOM 687 O PHE A 85 -2.516 -4.055 -9.852 1.00 0.08 O +ATOM 688 CG PHE A 85 -5.883 -1.293 -10.180 1.00 0.08 C +ATOM 689 CD1 PHE A 85 -5.457 -1.062 -11.484 1.00 0.08 C +ATOM 690 CD2 PHE A 85 -7.164 -0.900 -9.820 1.00 0.08 C +ATOM 691 CE1 PHE A 85 -6.297 -0.449 -12.414 1.00 0.08 C +ATOM 692 CE2 PHE A 85 -8.008 -0.287 -10.742 1.00 0.08 C +ATOM 693 CZ PHE A 85 -7.574 -0.061 -12.031 1.00 0.08 C +ATOM 694 N MET A 86 -3.215 -4.105 -7.727 1.00 7.40 N +ATOM 695 CA MET A 86 -1.912 -4.516 -7.211 1.00 7.40 C +ATOM 696 C MET A 86 -1.565 -5.930 -7.672 1.00 7.40 C +ATOM 697 CB MET A 86 -1.887 -4.441 -5.684 1.00 7.40 C +ATOM 698 O MET A 86 -0.451 -6.180 -8.133 1.00 7.40 O +ATOM 699 CG MET A 86 -1.927 -3.023 -5.141 1.00 7.40 C +ATOM 700 SD MET A 86 -1.905 -2.975 -3.305 1.00 7.40 S +ATOM 701 CE MET A 86 -0.239 -3.619 -2.986 1.00 7.40 C +ATOM 702 N VAL A 87 -2.559 -6.727 -7.574 1.00 1.04 N +ATOM 703 CA VAL A 87 -2.336 -8.141 -7.848 1.00 1.04 C +ATOM 704 C VAL A 87 -2.027 -8.344 -9.328 1.00 1.04 C +ATOM 705 CB VAL A 87 -3.555 -9.000 -7.438 1.00 1.04 C +ATOM 706 O VAL A 87 -1.023 -8.969 -9.680 1.00 1.04 O +ATOM 707 CG1 VAL A 87 -3.398 -10.438 -7.934 1.00 1.04 C +ATOM 708 CG2 VAL A 87 -3.738 -8.977 -5.922 1.00 1.04 C +ATOM 709 N ILE A 88 -2.777 -7.719 -10.188 1.00 0.31 N +ATOM 710 CA ILE A 88 -2.686 -7.961 -11.625 1.00 0.31 C +ATOM 711 C ILE A 88 -1.503 -7.184 -12.203 1.00 0.31 C +ATOM 712 CB ILE A 88 -3.990 -7.566 -12.352 1.00 0.31 C +ATOM 713 O ILE A 88 -0.696 -7.738 -12.953 1.00 0.31 O +ATOM 714 CG1 ILE A 88 -5.145 -8.477 -11.906 1.00 0.31 C +ATOM 715 CG2 ILE A 88 -3.803 -7.621 -13.875 1.00 0.31 C +ATOM 716 CD1 ILE A 88 -6.516 -8.016 -12.383 1.00 0.31 C +ATOM 717 N GLY A 89 -1.399 -5.973 -11.797 1.00 0.32 N +ATOM 718 CA GLY A 89 -0.409 -5.102 -12.406 1.00 0.32 C +ATOM 719 C GLY A 89 0.911 -5.078 -11.656 1.00 0.32 C +ATOM 720 O GLY A 89 1.969 -4.891 -12.266 1.00 0.32 O +ATOM 721 N GLY A 90 0.910 -5.297 -10.359 1.00 8.37 N +ATOM 722 CA GLY A 90 2.100 -5.180 -9.531 1.00 8.37 C +ATOM 723 C GLY A 90 2.742 -6.516 -9.211 1.00 8.37 C +ATOM 724 O GLY A 90 3.832 -6.816 -9.703 1.00 8.37 O +ATOM 725 N PHE A 91 1.954 -7.445 -8.609 1.00 4.13 N +ATOM 726 CA PHE A 91 2.482 -8.703 -8.086 1.00 4.13 C +ATOM 727 C PHE A 91 2.896 -9.625 -9.227 1.00 4.13 C +ATOM 728 CB PHE A 91 1.444 -9.391 -7.199 1.00 4.13 C +ATOM 729 O PHE A 91 3.955 -10.258 -9.164 1.00 4.13 O +ATOM 730 CG PHE A 91 1.024 -8.578 -6.008 1.00 4.13 C +ATOM 731 CD1 PHE A 91 1.745 -7.449 -5.629 1.00 4.13 C +ATOM 732 CD2 PHE A 91 -0.093 -8.938 -5.266 1.00 4.13 C +ATOM 733 CE1 PHE A 91 1.358 -6.691 -4.527 1.00 4.13 C +ATOM 734 CE2 PHE A 91 -0.486 -8.180 -4.160 1.00 4.13 C +ATOM 735 CZ PHE A 91 0.242 -7.062 -3.795 1.00 4.13 C +ATOM 736 N THR A 92 2.086 -9.680 -10.266 1.00 2.27 N +ATOM 737 CA THR A 92 2.383 -10.570 -11.383 1.00 2.27 C +ATOM 738 C THR A 92 3.691 -10.172 -12.062 1.00 2.27 C +ATOM 739 CB THR A 92 1.243 -10.562 -12.422 1.00 2.27 C +ATOM 740 O THR A 92 4.512 -11.031 -12.391 1.00 2.27 O +ATOM 741 CG2 THR A 92 -0.039 -11.141 -11.828 1.00 2.27 C +ATOM 742 OG1 THR A 92 0.996 -9.219 -12.844 1.00 2.27 O +ATOM 743 N THR A 93 3.873 -8.883 -12.211 1.00 4.72 N +ATOM 744 CA THR A 93 5.086 -8.375 -12.844 1.00 4.72 C +ATOM 745 C THR A 93 6.305 -8.656 -11.969 1.00 4.72 C +ATOM 746 CB THR A 93 4.984 -6.867 -13.125 1.00 4.72 C +ATOM 747 O THR A 93 7.352 -9.078 -12.469 1.00 4.72 O +ATOM 748 CG2 THR A 93 6.242 -6.348 -13.812 1.00 4.72 C +ATOM 749 OG1 THR A 93 3.855 -6.621 -13.977 1.00 4.72 O +ATOM 750 N THR A 94 6.145 -8.445 -10.695 1.00 20.57 N +ATOM 751 CA THR A 94 7.234 -8.688 -9.750 1.00 20.57 C +ATOM 752 C THR A 94 7.594 -10.172 -9.719 1.00 20.57 C +ATOM 753 CB THR A 94 6.867 -8.211 -8.336 1.00 20.57 C +ATOM 754 O THR A 94 8.773 -10.531 -9.672 1.00 20.57 O +ATOM 755 CG2 THR A 94 8.023 -8.438 -7.363 1.00 20.57 C +ATOM 756 OG1 THR A 94 6.559 -6.812 -8.375 1.00 20.57 O +ATOM 757 N MET A 95 6.602 -10.969 -9.727 1.00 1.96 N +ATOM 758 CA MET A 95 6.828 -12.414 -9.742 1.00 1.96 C +ATOM 759 C MET A 95 7.609 -12.828 -10.984 1.00 1.96 C +ATOM 760 CB MET A 95 5.496 -13.164 -9.688 1.00 1.96 C +ATOM 761 O MET A 95 8.594 -13.562 -10.883 1.00 1.96 O +ATOM 762 CG MET A 95 5.648 -14.680 -9.648 1.00 1.96 C +ATOM 763 SD MET A 95 4.031 -15.547 -9.711 1.00 1.96 S +ATOM 764 CE MET A 95 3.646 -15.391 -11.477 1.00 1.96 C +ATOM 765 N TYR A 96 7.117 -12.359 -12.039 1.00 3.89 N +ATOM 766 CA TYR A 96 7.754 -12.688 -13.312 1.00 3.89 C +ATOM 767 C TYR A 96 9.195 -12.203 -13.344 1.00 3.89 C +ATOM 768 CB TYR A 96 6.969 -12.078 -14.477 1.00 3.89 C +ATOM 769 O TYR A 96 10.094 -12.930 -13.766 1.00 3.89 O +ATOM 770 CG TYR A 96 7.535 -12.422 -15.836 1.00 3.89 C +ATOM 771 CD1 TYR A 96 8.117 -11.438 -16.641 1.00 3.89 C +ATOM 772 CD2 TYR A 96 7.488 -13.727 -16.312 1.00 3.89 C +ATOM 773 CE1 TYR A 96 8.641 -11.750 -17.891 1.00 3.89 C +ATOM 774 CE2 TYR A 96 8.008 -14.047 -17.562 1.00 3.89 C +ATOM 775 OH TYR A 96 9.094 -13.367 -19.578 1.00 3.89 O +ATOM 776 CZ TYR A 96 8.578 -13.055 -18.344 1.00 3.89 C +ATOM 777 N SER A 97 9.469 -11.031 -12.961 1.00 1.20 N +ATOM 778 CA SER A 97 10.805 -10.445 -12.914 1.00 1.20 C +ATOM 779 C SER A 97 11.711 -11.195 -11.945 1.00 1.20 C +ATOM 780 CB SER A 97 10.734 -8.969 -12.523 1.00 1.20 C +ATOM 781 O SER A 97 12.898 -11.375 -12.203 1.00 1.20 O +ATOM 782 OG SER A 97 10.070 -8.219 -13.523 1.00 1.20 O +ATOM 783 N SER A 98 11.141 -11.656 -10.859 1.00 0.00 N +ATOM 784 CA SER A 98 11.906 -12.406 -9.859 1.00 0.00 C +ATOM 785 C SER A 98 12.375 -13.742 -10.422 1.00 0.00 C +ATOM 786 CB SER A 98 11.062 -12.641 -8.609 1.00 0.00 C +ATOM 787 O SER A 98 13.461 -14.219 -10.078 1.00 0.00 O +ATOM 788 OG SER A 98 10.742 -11.406 -7.980 1.00 0.00 O +ATOM 789 N MET A 99 11.633 -14.328 -11.305 1.00 0.04 N +ATOM 790 CA MET A 99 11.984 -15.594 -11.945 1.00 0.04 C +ATOM 791 C MET A 99 13.188 -15.430 -12.867 1.00 0.04 C +ATOM 792 CB MET A 99 10.789 -16.141 -12.727 1.00 0.04 C +ATOM 793 O MET A 99 13.930 -16.391 -13.102 1.00 0.04 O +ATOM 794 CG MET A 99 9.633 -16.594 -11.852 1.00 0.04 C +ATOM 795 SD MET A 99 8.125 -16.984 -12.828 1.00 0.04 S +ATOM 796 CE MET A 99 8.719 -18.438 -13.750 1.00 0.04 C +ATOM 797 N HIS A 100 13.414 -14.219 -13.281 1.00 4.44 N +ATOM 798 CA HIS A 100 14.531 -13.938 -14.188 1.00 4.44 C +ATOM 799 C HIS A 100 15.711 -13.336 -13.438 1.00 4.44 C +ATOM 800 CB HIS A 100 14.086 -13.000 -15.312 1.00 4.44 C +ATOM 801 O HIS A 100 16.828 -13.289 -13.961 1.00 4.44 O +ATOM 802 CG HIS A 100 13.188 -13.656 -16.312 1.00 4.44 C +ATOM 803 CD2 HIS A 100 13.438 -14.094 -17.578 1.00 4.44 C +ATOM 804 ND1 HIS A 100 11.859 -13.914 -16.062 1.00 4.44 N +ATOM 805 CE1 HIS A 100 11.320 -14.484 -17.141 1.00 4.44 C +ATOM 806 NE2 HIS A 100 12.258 -14.609 -18.062 1.00 4.44 N +ATOM 807 N GLY A 101 15.469 -12.836 -12.211 1.00 0.31 N +ATOM 808 CA GLY A 101 16.516 -12.281 -11.367 1.00 0.31 C +ATOM 809 C GLY A 101 16.781 -10.812 -11.625 1.00 0.31 C +ATOM 810 O GLY A 101 17.750 -10.250 -11.117 1.00 0.31 O +ATOM 811 N TYR A 102 16.031 -10.141 -12.414 1.00 0.02 N +ATOM 812 CA TYR A 102 16.094 -8.719 -12.703 1.00 0.02 C +ATOM 813 C TYR A 102 14.773 -8.219 -13.266 1.00 0.02 C +ATOM 814 CB TYR A 102 17.234 -8.414 -13.688 1.00 0.02 C +ATOM 815 O TYR A 102 13.859 -9.008 -13.523 1.00 0.02 O +ATOM 816 CG TYR A 102 16.938 -8.875 -15.102 1.00 0.02 C +ATOM 817 CD1 TYR A 102 16.750 -10.219 -15.391 1.00 0.02 C +ATOM 818 CD2 TYR A 102 16.844 -7.953 -16.141 1.00 0.02 C +ATOM 819 CE1 TYR A 102 16.484 -10.648 -16.688 1.00 0.02 C +ATOM 820 CE2 TYR A 102 16.578 -8.367 -17.438 1.00 0.02 C +ATOM 821 OH TYR A 102 16.141 -10.125 -19.000 1.00 0.02 O +ATOM 822 CZ TYR A 102 16.406 -9.711 -17.703 1.00 0.02 C +ATOM 823 N PHE A 103 14.633 -6.887 -13.383 1.00 0.00 N +ATOM 824 CA PHE A 103 13.398 -6.367 -13.953 1.00 0.00 C +ATOM 825 C PHE A 103 13.414 -6.484 -15.469 1.00 0.00 C +ATOM 826 CB PHE A 103 13.188 -4.906 -13.539 1.00 0.00 C +ATOM 827 O PHE A 103 13.914 -5.598 -16.156 1.00 0.00 O +ATOM 828 CG PHE A 103 11.750 -4.465 -13.578 1.00 0.00 C +ATOM 829 CD1 PHE A 103 11.234 -3.828 -14.703 1.00 0.00 C +ATOM 830 CD2 PHE A 103 10.914 -4.688 -12.492 1.00 0.00 C +ATOM 831 CE1 PHE A 103 9.906 -3.420 -14.742 1.00 0.00 C +ATOM 832 CE2 PHE A 103 9.586 -4.281 -12.523 1.00 0.00 C +ATOM 833 CZ PHE A 103 9.078 -3.646 -13.648 1.00 0.00 C +ATOM 834 N VAL A 104 12.750 -7.418 -16.078 1.00 0.21 N +ATOM 835 CA VAL A 104 12.930 -7.910 -17.453 1.00 0.21 C +ATOM 836 C VAL A 104 12.047 -7.117 -18.406 1.00 0.21 C +ATOM 837 CB VAL A 104 12.609 -9.422 -17.547 1.00 0.21 C +ATOM 838 O VAL A 104 12.281 -7.113 -19.609 1.00 0.21 O +ATOM 839 CG1 VAL A 104 11.148 -9.688 -17.188 1.00 0.21 C +ATOM 840 CG2 VAL A 104 12.922 -9.930 -18.953 1.00 0.21 C +ATOM 841 N LEU A 105 11.141 -6.371 -17.859 1.00 0.11 N +ATOM 842 CA LEU A 105 10.125 -5.750 -18.703 1.00 0.11 C +ATOM 843 C LEU A 105 10.555 -4.352 -19.125 1.00 0.11 C +ATOM 844 CB LEU A 105 8.781 -5.684 -17.969 1.00 0.11 C +ATOM 845 O LEU A 105 9.805 -3.646 -19.797 1.00 0.11 O +ATOM 846 CG LEU A 105 8.117 -7.023 -17.641 1.00 0.11 C +ATOM 847 CD1 LEU A 105 6.844 -6.805 -16.844 1.00 0.11 C +ATOM 848 CD2 LEU A 105 7.816 -7.793 -18.938 1.00 0.11 C +ATOM 849 N GLY A 106 11.719 -3.971 -18.734 1.00 0.00 N +ATOM 850 CA GLY A 106 12.258 -2.689 -19.156 1.00 0.00 C +ATOM 851 C GLY A 106 11.609 -1.509 -18.453 1.00 0.00 C +ATOM 852 O GLY A 106 10.844 -1.686 -17.516 1.00 0.00 O +ATOM 853 N ARG A 107 11.820 -0.318 -18.969 1.00 0.11 N +ATOM 854 CA ARG A 107 11.391 0.934 -18.344 1.00 0.11 C +ATOM 855 C ARG A 107 9.867 1.068 -18.391 1.00 0.11 C +ATOM 856 CB ARG A 107 12.039 2.129 -19.047 1.00 0.11 C +ATOM 857 O ARG A 107 9.250 1.455 -17.406 1.00 0.11 O +ATOM 858 CG ARG A 107 11.727 3.469 -18.406 1.00 0.11 C +ATOM 859 CD ARG A 107 12.289 3.562 -17.000 1.00 0.11 C +ATOM 860 NE ARG A 107 11.922 4.816 -16.344 1.00 0.11 N +ATOM 861 NH1 ARG A 107 13.422 4.598 -14.602 1.00 0.11 N +ATOM 862 NH2 ARG A 107 12.062 6.438 -14.727 1.00 0.11 N +ATOM 863 CZ ARG A 107 12.469 5.281 -15.227 1.00 0.11 C +ATOM 864 N LEU A 108 9.375 0.761 -19.531 1.00 0.66 N +ATOM 865 CA LEU A 108 7.922 0.856 -19.625 1.00 0.66 C +ATOM 866 C LEU A 108 7.246 -0.078 -18.625 1.00 0.66 C +ATOM 867 CB LEU A 108 7.465 0.524 -21.047 1.00 0.66 C +ATOM 868 O LEU A 108 6.289 0.314 -17.953 1.00 0.66 O +ATOM 869 CG LEU A 108 5.953 0.552 -21.297 1.00 0.66 C +ATOM 870 CD1 LEU A 108 5.391 1.935 -20.984 1.00 0.66 C +ATOM 871 CD2 LEU A 108 5.641 0.154 -22.734 1.00 0.66 C +ATOM 872 N GLY A 109 7.754 -1.286 -18.562 1.00 1.01 N +ATOM 873 CA GLY A 109 7.227 -2.229 -17.594 1.00 1.01 C +ATOM 874 C GLY A 109 7.371 -1.748 -16.156 1.00 1.01 C +ATOM 875 O GLY A 109 6.469 -1.932 -15.344 1.00 1.01 O +ATOM 876 N CYS A 110 8.438 -1.130 -15.883 1.00 0.00 N +ATOM 877 CA CYS A 110 8.688 -0.582 -14.555 1.00 0.00 C +ATOM 878 C CYS A 110 7.695 0.522 -14.219 1.00 0.00 C +ATOM 879 CB CYS A 110 10.117 -0.041 -14.461 1.00 0.00 C +ATOM 880 O CYS A 110 7.137 0.550 -13.117 1.00 0.00 O +ATOM 881 SG CYS A 110 10.547 0.589 -12.820 1.00 0.00 S +ATOM 882 N ASN A 111 7.410 1.360 -15.117 1.00 1.43 N +ATOM 883 CA ASN A 111 6.441 2.430 -14.906 1.00 1.43 C +ATOM 884 C ASN A 111 5.043 1.877 -14.664 1.00 1.43 C +ATOM 885 CB ASN A 111 6.434 3.387 -16.094 1.00 1.43 C +ATOM 886 O ASN A 111 4.336 2.336 -13.758 1.00 1.43 O +ATOM 887 CG ASN A 111 7.637 4.309 -16.125 1.00 1.43 C +ATOM 888 ND2 ASN A 111 7.973 4.824 -17.297 1.00 1.43 N +ATOM 889 OD1 ASN A 111 8.266 4.551 -15.086 1.00 1.43 O +ATOM 890 N LEU A 112 4.703 0.867 -15.469 1.00 0.18 N +ATOM 891 CA LEU A 112 3.373 0.285 -15.352 1.00 0.18 C +ATOM 892 C LEU A 112 3.219 -0.457 -14.023 1.00 0.18 C +ATOM 893 CB LEU A 112 3.100 -0.668 -16.516 1.00 0.18 C +ATOM 894 O LEU A 112 2.195 -0.322 -13.352 1.00 0.18 O +ATOM 895 CG LEU A 112 2.916 -0.022 -17.891 1.00 0.18 C +ATOM 896 CD1 LEU A 112 2.807 -1.094 -18.969 1.00 0.18 C +ATOM 897 CD2 LEU A 112 1.686 0.878 -17.891 1.00 0.18 C +ATOM 898 N GLU A 113 4.305 -1.194 -13.758 1.00 2.40 N +ATOM 899 CA GLU A 113 4.270 -1.928 -12.492 1.00 2.40 C +ATOM 900 C GLU A 113 4.227 -0.975 -11.305 1.00 2.40 C +ATOM 901 CB GLU A 113 5.480 -2.857 -12.375 1.00 2.40 C +ATOM 902 O GLU A 113 3.404 -1.139 -10.398 1.00 2.40 O +ATOM 903 CG GLU A 113 5.438 -3.781 -11.172 1.00 2.40 C +ATOM 904 CD GLU A 113 5.988 -3.143 -9.906 1.00 2.40 C +ATOM 905 OE1 GLU A 113 5.637 -3.596 -8.797 1.00 2.40 O +ATOM 906 OE2 GLU A 113 6.781 -2.182 -10.031 1.00 2.40 O +ATOM 907 N GLY A 114 5.152 -0.020 -11.273 1.00 0.68 N +ATOM 908 CA GLY A 114 5.195 0.959 -10.203 1.00 0.68 C +ATOM 909 C GLY A 114 3.898 1.729 -10.039 1.00 0.68 C +ATOM 910 O GLY A 114 3.424 1.936 -8.922 1.00 0.68 O +ATOM 911 N PHE A 115 3.301 2.092 -11.133 1.00 0.92 N +ATOM 912 CA PHE A 115 2.035 2.814 -11.133 1.00 0.92 C +ATOM 913 C PHE A 115 0.920 1.962 -10.539 1.00 0.92 C +ATOM 914 CB PHE A 115 1.663 3.246 -12.555 1.00 0.92 C +ATOM 915 O PHE A 115 0.187 2.416 -9.656 1.00 0.92 O +ATOM 916 CG PHE A 115 0.284 3.836 -12.672 1.00 0.92 C +ATOM 917 CD1 PHE A 115 -0.799 3.043 -13.031 1.00 0.92 C +ATOM 918 CD2 PHE A 115 0.070 5.184 -12.422 1.00 0.92 C +ATOM 919 CE1 PHE A 115 -2.076 3.588 -13.141 1.00 0.92 C +ATOM 920 CE2 PHE A 115 -1.203 5.734 -12.523 1.00 0.92 C +ATOM 921 CZ PHE A 115 -2.275 4.938 -12.883 1.00 0.92 C +ATOM 922 N SER A 116 0.797 0.775 -11.039 1.00 1.34 N +ATOM 923 CA SER A 116 -0.281 -0.114 -10.617 1.00 1.34 C +ATOM 924 C SER A 116 -0.178 -0.442 -9.133 1.00 1.34 C +ATOM 925 CB SER A 116 -0.262 -1.405 -11.438 1.00 1.34 C +ATOM 926 O SER A 116 -1.178 -0.405 -8.414 1.00 1.34 O +ATOM 927 OG SER A 116 -0.520 -1.139 -12.805 1.00 1.34 O +ATOM 928 N ALA A 117 1.055 -0.747 -8.695 1.00 0.14 N +ATOM 929 CA ALA A 117 1.265 -1.110 -7.301 1.00 0.14 C +ATOM 930 C ALA A 117 1.001 0.077 -6.379 1.00 0.14 C +ATOM 931 CB ALA A 117 2.684 -1.635 -7.094 1.00 0.14 C +ATOM 932 O ALA A 117 0.320 -0.058 -5.359 1.00 0.14 O +ATOM 933 N THR A 118 1.463 1.198 -6.777 1.00 2.14 N +ATOM 934 CA THR A 118 1.311 2.398 -5.965 1.00 2.14 C +ATOM 935 C THR A 118 -0.143 2.863 -5.953 1.00 2.14 C +ATOM 936 CB THR A 118 2.213 3.537 -6.473 1.00 2.14 C +ATOM 937 O THR A 118 -0.671 3.240 -4.902 1.00 2.14 O +ATOM 938 CG2 THR A 118 2.127 4.758 -5.559 1.00 2.14 C +ATOM 939 OG1 THR A 118 3.570 3.082 -6.516 1.00 2.14 O +ATOM 940 N LEU A 119 -0.767 2.795 -7.102 1.00 0.04 N +ATOM 941 CA LEU A 119 -2.168 3.184 -7.203 1.00 0.04 C +ATOM 942 C LEU A 119 -3.037 2.332 -6.281 1.00 0.04 C +ATOM 943 CB LEU A 119 -2.658 3.055 -8.648 1.00 0.04 C +ATOM 944 O LEU A 119 -3.830 2.865 -5.500 1.00 0.04 O +ATOM 945 CG LEU A 119 -4.105 3.477 -8.914 1.00 0.04 C +ATOM 946 CD1 LEU A 119 -4.281 4.965 -8.641 1.00 0.04 C +ATOM 947 CD2 LEU A 119 -4.504 3.143 -10.344 1.00 0.04 C +ATOM 948 N GLY A 120 -2.857 1.039 -6.430 1.00 0.96 N +ATOM 949 CA GLY A 120 -3.607 0.138 -5.570 1.00 0.96 C +ATOM 950 C GLY A 120 -3.342 0.364 -4.094 1.00 0.96 C +ATOM 951 O GLY A 120 -4.273 0.392 -3.287 1.00 0.96 O +ATOM 952 N GLY A 121 -2.102 0.538 -3.766 1.00 0.00 N +ATOM 953 CA GLY A 121 -1.731 0.808 -2.387 1.00 0.00 C +ATOM 954 C GLY A 121 -2.332 2.092 -1.847 1.00 0.00 C +ATOM 955 O GLY A 121 -2.855 2.119 -0.731 1.00 0.00 O +ATOM 956 N MET A 122 -2.352 3.096 -2.639 1.00 15.55 N +ATOM 957 CA MET A 122 -2.840 4.402 -2.207 1.00 15.55 C +ATOM 958 C MET A 122 -4.359 4.406 -2.098 1.00 15.55 C +ATOM 959 CB MET A 122 -2.383 5.496 -3.174 1.00 15.55 C +ATOM 960 O MET A 122 -4.918 4.984 -1.163 1.00 15.55 O +ATOM 961 CG MET A 122 -0.896 5.797 -3.098 1.00 15.55 C +ATOM 962 SD MET A 122 -0.373 6.336 -1.423 1.00 15.55 S +ATOM 963 CE MET A 122 1.430 6.270 -1.612 1.00 15.55 C +ATOM 964 N ILE A 123 -5.012 3.787 -3.059 1.00 0.22 N +ATOM 965 CA ILE A 123 -6.465 3.682 -2.963 1.00 0.22 C +ATOM 966 C ILE A 123 -6.844 2.953 -1.676 1.00 0.22 C +ATOM 967 CB ILE A 123 -7.059 2.951 -4.188 1.00 0.22 C +ATOM 968 O ILE A 123 -7.758 3.377 -0.963 1.00 0.22 O +ATOM 969 CG1 ILE A 123 -6.871 3.795 -5.453 1.00 0.22 C +ATOM 970 CG2 ILE A 123 -8.539 2.629 -3.957 1.00 0.22 C +ATOM 971 CD1 ILE A 123 -7.270 3.078 -6.738 1.00 0.22 C +ATOM 972 N SER A 124 -6.129 1.897 -1.427 1.00 4.91 N +ATOM 973 CA SER A 124 -6.395 1.113 -0.225 1.00 4.91 C +ATOM 974 C SER A 124 -6.148 1.933 1.036 1.00 4.91 C +ATOM 975 CB SER A 124 -5.527 -0.146 -0.203 1.00 4.91 C +ATOM 976 O SER A 124 -6.969 1.927 1.957 1.00 4.91 O +ATOM 977 OG SER A 124 -5.781 -0.911 0.963 1.00 4.91 O +ATOM 978 N LEU A 125 -5.082 2.590 1.087 1.00100.00 N +ATOM 979 CA LEU A 125 -4.691 3.406 2.230 1.00100.00 C +ATOM 980 C LEU A 125 -5.730 4.484 2.510 1.00100.00 C +ATOM 981 CB LEU A 125 -3.324 4.051 1.986 1.00100.00 C +ATOM 982 O LEU A 125 -6.195 4.629 3.643 1.00100.00 O +ATOM 983 CG LEU A 125 -2.707 4.801 3.168 1.00100.00 C +ATOM 984 CD1 LEU A 125 -1.186 4.727 3.107 1.00100.00 C +ATOM 985 CD2 LEU A 125 -3.176 6.250 3.182 1.00100.00 C +ATOM 986 N TRP A 126 -6.141 5.203 1.552 1.00 0.39 N +ATOM 987 CA TRP A 126 -7.105 6.285 1.731 1.00 0.39 C +ATOM 988 C TRP A 126 -8.500 5.730 1.995 1.00 0.39 C +ATOM 989 CB TRP A 126 -7.125 7.195 0.501 1.00 0.39 C +ATOM 990 O TRP A 126 -9.320 6.379 2.650 1.00 0.39 O +ATOM 991 CG TRP A 126 -6.059 8.250 0.503 1.00 0.39 C +ATOM 992 CD1 TRP A 126 -4.910 8.258 -0.240 1.00 0.39 C +ATOM 993 CD2 TRP A 126 -6.039 9.438 1.292 1.00 0.39 C +ATOM 994 CE2 TRP A 126 -4.848 10.133 0.975 1.00 0.39 C +ATOM 995 CE3 TRP A 126 -6.910 9.992 2.236 1.00 0.39 C +ATOM 996 NE1 TRP A 126 -4.180 9.391 0.038 1.00 0.39 N +ATOM 997 CH2 TRP A 126 -5.379 11.867 2.490 1.00 0.39 C +ATOM 998 CZ2 TRP A 126 -4.508 11.352 1.570 1.00 0.39 C +ATOM 999 CZ3 TRP A 126 -6.574 11.211 2.828 1.00 0.39 C +ATOM 1000 N SER A 127 -8.742 4.547 1.472 1.00 0.00 N +ATOM 1001 CA SER A 127 -10.008 3.891 1.784 1.00 0.00 C +ATOM 1002 C SER A 127 -10.133 3.607 3.277 1.00 0.00 C +ATOM 1003 CB SER A 127 -10.148 2.588 0.995 1.00 0.00 C +ATOM 1004 O SER A 127 -11.203 3.771 3.859 1.00 0.00 O +ATOM 1005 OG SER A 127 -10.258 2.852 -0.393 1.00 0.00 O +ATOM 1006 N LEU A 128 -9.062 3.264 3.867 1.00 0.00 N +ATOM 1007 CA LEU A 128 -9.055 3.014 5.305 1.00 0.00 C +ATOM 1008 C LEU A 128 -9.289 4.305 6.082 1.00 0.00 C +ATOM 1009 CB LEU A 128 -7.730 2.379 5.734 1.00 0.00 C +ATOM 1010 O LEU A 128 -9.969 4.301 7.109 1.00 0.00 O +ATOM 1011 CG LEU A 128 -7.461 0.959 5.230 1.00 0.00 C +ATOM 1012 CD1 LEU A 128 -6.090 0.481 5.695 1.00 0.00 C +ATOM 1013 CD2 LEU A 128 -8.555 0.008 5.703 1.00 0.00 C +ATOM 1014 N ALA A 129 -8.750 5.352 5.586 1.00 0.09 N +ATOM 1015 CA ALA A 129 -8.969 6.656 6.207 1.00 0.09 C +ATOM 1016 C ALA A 129 -10.438 7.066 6.117 1.00 0.09 C +ATOM 1017 CB ALA A 129 -8.078 7.711 5.555 1.00 0.09 C +ATOM 1018 O ALA A 129 -11.023 7.516 7.105 1.00 0.09 O +ATOM 1019 N VAL A 130 -10.961 6.930 4.953 1.00 0.05 N +ATOM 1020 CA VAL A 130 -12.367 7.270 4.730 1.00 0.05 C +ATOM 1021 C VAL A 130 -13.258 6.395 5.609 1.00 0.05 C +ATOM 1022 CB VAL A 130 -12.758 7.113 3.246 1.00 0.05 C +ATOM 1023 O VAL A 130 -14.242 6.875 6.180 1.00 0.05 O +ATOM 1024 CG1 VAL A 130 -14.273 7.199 3.080 1.00 0.05 C +ATOM 1025 CG2 VAL A 130 -12.062 8.172 2.395 1.00 0.05 C +ATOM 1026 N LEU A 131 -12.898 5.203 5.727 1.00 0.00 N +ATOM 1027 CA LEU A 131 -13.633 4.285 6.586 1.00 0.00 C +ATOM 1028 C LEU A 131 -13.609 4.754 8.031 1.00 0.00 C +ATOM 1029 CB LEU A 131 -13.055 2.871 6.484 1.00 0.00 C +ATOM 1030 O LEU A 131 -14.633 4.703 8.727 1.00 0.00 O +ATOM 1031 CG LEU A 131 -13.781 1.780 7.270 1.00 0.00 C +ATOM 1032 CD1 LEU A 131 -15.219 1.643 6.777 1.00 0.00 C +ATOM 1033 CD2 LEU A 131 -13.047 0.452 7.156 1.00 0.00 C +ATOM 1034 N ALA A 132 -12.508 5.160 8.508 1.00 0.00 N +ATOM 1035 CA ALA A 132 -12.375 5.680 9.867 1.00 0.00 C +ATOM 1036 C ALA A 132 -13.281 6.891 10.086 1.00 0.00 C +ATOM 1037 CB ALA A 132 -10.922 6.043 10.164 1.00 0.00 C +ATOM 1038 O ALA A 132 -13.945 7.004 11.117 1.00 0.00 O +ATOM 1039 N ILE A 133 -13.320 7.754 9.125 1.00 0.80 N +ATOM 1040 CA ILE A 133 -14.156 8.945 9.188 1.00 0.80 C +ATOM 1041 C ILE A 133 -15.625 8.539 9.227 1.00 0.80 C +ATOM 1042 CB ILE A 133 -13.891 9.891 7.996 1.00 0.80 C +ATOM 1043 O ILE A 133 -16.406 9.055 10.039 1.00 0.80 O +ATOM 1044 CG1 ILE A 133 -12.492 10.516 8.109 1.00 0.80 C +ATOM 1045 CG2 ILE A 133 -14.969 10.977 7.906 1.00 0.80 C +ATOM 1046 CD1 ILE A 133 -12.039 11.250 6.859 1.00 0.80 C +ATOM 1047 N GLU A 134 -15.891 7.719 8.320 1.00 0.00 N +ATOM 1048 CA GLU A 134 -17.266 7.234 8.234 1.00 0.00 C +ATOM 1049 C GLU A 134 -17.734 6.672 9.578 1.00 0.00 C +ATOM 1050 CB GLU A 134 -17.391 6.172 7.145 1.00 0.00 C +ATOM 1051 O GLU A 134 -18.828 6.984 10.039 1.00 0.00 O +ATOM 1052 CG GLU A 134 -18.797 5.602 7.008 1.00 0.00 C +ATOM 1053 CD GLU A 134 -18.844 4.086 7.098 1.00 0.00 C +ATOM 1054 OE1 GLU A 134 -19.828 3.537 7.641 1.00 0.00 O +ATOM 1055 OE2 GLU A 134 -17.891 3.439 6.621 1.00 0.00 O +ATOM 1056 N ARG A 135 -17.031 5.828 10.188 1.00 0.00 N +ATOM 1057 CA ARG A 135 -17.391 5.191 11.453 1.00 0.00 C +ATOM 1058 C ARG A 135 -17.516 6.219 12.570 1.00 0.00 C +ATOM 1059 CB ARG A 135 -16.359 4.121 11.828 1.00 0.00 C +ATOM 1060 O ARG A 135 -18.422 6.129 13.406 1.00 0.00 O +ATOM 1061 CG ARG A 135 -16.484 2.836 11.023 1.00 0.00 C +ATOM 1062 CD ARG A 135 -15.617 1.728 11.602 1.00 0.00 C +ATOM 1063 NE ARG A 135 -15.883 0.446 10.953 1.00 0.00 N +ATOM 1064 NH1 ARG A 135 -14.555 -0.786 12.391 1.00 0.00 N +ATOM 1065 NH2 ARG A 135 -15.680 -1.826 10.680 1.00 0.00 N +ATOM 1066 CZ ARG A 135 -15.367 -0.719 11.344 1.00 0.00 C +ATOM 1067 N TRP A 136 -16.641 7.078 12.531 1.00 0.00 N +ATOM 1068 CA TRP A 136 -16.672 8.133 13.539 1.00 0.00 C +ATOM 1069 C TRP A 136 -17.922 8.992 13.398 1.00 0.00 C +ATOM 1070 CB TRP A 136 -15.414 9.008 13.438 1.00 0.00 C +ATOM 1071 O TRP A 136 -18.625 9.234 14.375 1.00 0.00 O +ATOM 1072 CG TRP A 136 -15.469 10.250 14.273 1.00 0.00 C +ATOM 1073 CD1 TRP A 136 -15.891 10.359 15.570 1.00 0.00 C +ATOM 1074 CD2 TRP A 136 -15.102 11.570 13.859 1.00 0.00 C +ATOM 1075 CE2 TRP A 136 -15.320 12.430 14.961 1.00 0.00 C +ATOM 1076 CE3 TRP A 136 -14.602 12.117 12.672 1.00 0.00 C +ATOM 1077 NE1 TRP A 136 -15.805 11.664 15.992 1.00 0.00 N +ATOM 1078 CH2 TRP A 136 -14.570 14.305 13.727 1.00 0.00 C +ATOM 1079 CZ2 TRP A 136 -15.055 13.805 14.906 1.00 0.00 C +ATOM 1080 CZ3 TRP A 136 -14.336 13.477 12.617 1.00 0.00 C +ATOM 1081 N VAL A 137 -18.250 9.453 12.227 1.00 0.06 N +ATOM 1082 CA VAL A 137 -19.375 10.344 11.961 1.00 0.06 C +ATOM 1083 C VAL A 137 -20.688 9.625 12.273 1.00 0.06 C +ATOM 1084 CB VAL A 137 -19.375 10.828 10.492 1.00 0.06 C +ATOM 1085 O VAL A 137 -21.594 10.203 12.883 1.00 0.06 O +ATOM 1086 CG1 VAL A 137 -20.703 11.500 10.148 1.00 0.06 C +ATOM 1087 CG2 VAL A 137 -18.219 11.781 10.250 1.00 0.06 C +ATOM 1088 N VAL A 138 -20.781 8.367 11.906 1.00 0.00 N +ATOM 1089 CA VAL A 138 -22.016 7.598 12.055 1.00 0.00 C +ATOM 1090 C VAL A 138 -22.266 7.301 13.531 1.00 0.00 C +ATOM 1091 CB VAL A 138 -21.953 6.281 11.250 1.00 0.00 C +ATOM 1092 O VAL A 138 -23.391 7.398 14.008 1.00 0.00 O +ATOM 1093 CG1 VAL A 138 -23.125 5.367 11.633 1.00 0.00 C +ATOM 1094 CG2 VAL A 138 -21.984 6.574 9.750 1.00 0.00 C +ATOM 1095 N VAL A 139 -21.234 7.062 14.281 1.00 0.00 N +ATOM 1096 CA VAL A 139 -21.406 6.617 15.664 1.00 0.00 C +ATOM 1097 C VAL A 139 -21.359 7.820 16.594 1.00 0.00 C +ATOM 1098 CB VAL A 139 -20.312 5.590 16.062 1.00 0.00 C +ATOM 1099 O VAL A 139 -22.156 7.906 17.547 1.00 0.00 O +ATOM 1100 CG1 VAL A 139 -20.438 5.227 17.547 1.00 0.00 C +ATOM 1101 CG2 VAL A 139 -20.422 4.340 15.195 1.00 0.00 C +ATOM 1102 N CYS A 140 -20.469 8.688 16.422 1.00 0.00 N +ATOM 1103 CA CYS A 140 -20.188 9.727 17.406 1.00 0.00 C +ATOM 1104 C CYS A 140 -21.016 10.977 17.109 1.00 0.00 C +ATOM 1105 CB CYS A 140 -18.703 10.078 17.422 1.00 0.00 C +ATOM 1106 O CYS A 140 -21.219 11.812 18.000 1.00 0.00 O +ATOM 1107 SG CYS A 140 -17.641 8.719 17.984 1.00 0.00 S +ATOM 1108 N LYS A 141 -21.547 11.125 15.969 1.00 0.03 N +ATOM 1109 CA LYS A 141 -22.297 12.336 15.656 1.00 0.03 C +ATOM 1110 C LYS A 141 -23.688 11.992 15.117 1.00 0.03 C +ATOM 1111 CB LYS A 141 -21.547 13.188 14.641 1.00 0.03 C +ATOM 1112 O LYS A 141 -23.984 12.203 13.938 1.00 0.03 O +ATOM 1113 CG LYS A 141 -20.297 13.859 15.195 1.00 0.03 C +ATOM 1114 CD LYS A 141 -19.859 15.031 14.328 1.00 0.03 C +ATOM 1115 CE LYS A 141 -18.656 15.758 14.938 1.00 0.03 C +ATOM 1116 NZ LYS A 141 -18.297 16.969 14.148 1.00 0.03 N +ATOM 1117 N PRO A 142 -24.469 11.367 15.969 1.00 0.00 N +ATOM 1118 CA PRO A 142 -25.766 11.094 15.367 1.00 0.00 C +ATOM 1119 C PRO A 142 -26.672 12.328 15.344 1.00 0.00 C +ATOM 1120 CB PRO A 142 -26.359 10.000 16.266 1.00 0.00 C +ATOM 1121 O PRO A 142 -26.906 12.945 16.391 1.00 0.00 O +ATOM 1122 CG PRO A 142 -25.562 10.078 17.531 1.00 0.00 C +ATOM 1123 CD PRO A 142 -24.281 10.828 17.250 1.00 0.00 C +ATOM 1124 N THR A 143 -26.406 13.398 14.586 1.00 0.28 N +ATOM 1125 CA THR A 143 -27.406 14.453 14.508 1.00 0.28 C +ATOM 1126 C THR A 143 -28.781 13.875 14.195 1.00 0.28 C +ATOM 1127 CB THR A 143 -27.031 15.500 13.438 1.00 0.28 C +ATOM 1128 O THR A 143 -28.891 12.836 13.547 1.00 0.28 O +ATOM 1129 CG2 THR A 143 -25.797 16.297 13.859 1.00 0.28 C +ATOM 1130 OG1 THR A 143 -26.750 14.828 12.203 1.00 0.28 O +ATOM 1131 N SER A 144 -29.828 14.062 14.930 1.00 0.01 N +ATOM 1132 CA SER A 144 -31.188 13.555 14.797 1.00 0.01 C +ATOM 1133 C SER A 144 -31.594 13.438 13.328 1.00 0.01 C +ATOM 1134 CB SER A 144 -32.188 14.469 15.523 1.00 0.01 C +ATOM 1135 O SER A 144 -32.250 12.477 12.938 1.00 0.01 O +ATOM 1136 OG SER A 144 -32.656 15.469 14.656 1.00 0.01 O +ATOM 1137 N ASN A 145 -30.766 14.023 12.336 1.00 0.00 N +ATOM 1138 CA ASN A 145 -31.203 13.930 10.945 1.00 0.00 C +ATOM 1139 C ASN A 145 -30.062 13.445 10.039 1.00 0.00 C +ATOM 1140 CB ASN A 145 -31.734 15.273 10.453 1.00 0.00 C +ATOM 1141 O ASN A 145 -30.250 13.312 8.828 1.00 0.00 O +ATOM 1142 CG ASN A 145 -33.125 15.578 10.992 1.00 0.00 C +ATOM 1143 ND2 ASN A 145 -33.469 16.859 11.016 1.00 0.00 N +ATOM 1144 OD1 ASN A 145 -33.875 14.680 11.383 1.00 0.00 O +ATOM 1145 N PHE A 146 -28.875 13.133 10.555 1.00 0.00 N +ATOM 1146 CA PHE A 146 -27.797 12.750 9.648 1.00 0.00 C +ATOM 1147 C PHE A 146 -27.781 11.234 9.445 1.00 0.00 C +ATOM 1148 CB PHE A 146 -26.438 13.219 10.180 1.00 0.00 C +ATOM 1149 O PHE A 146 -27.766 10.477 10.414 1.00 0.00 O +ATOM 1150 CG PHE A 146 -25.281 12.797 9.336 1.00 0.00 C +ATOM 1151 CD1 PHE A 146 -24.484 11.711 9.711 1.00 0.00 C +ATOM 1152 CD2 PHE A 146 -24.953 13.477 8.172 1.00 0.00 C +ATOM 1153 CE1 PHE A 146 -23.406 11.312 8.930 1.00 0.00 C +ATOM 1154 CE2 PHE A 146 -23.875 13.086 7.387 1.00 0.00 C +ATOM 1155 CZ PHE A 146 -23.094 12.008 7.770 1.00 0.00 C +ATOM 1156 N ARG A 147 -27.859 10.891 8.203 1.00 0.23 N +ATOM 1157 CA ARG A 147 -27.672 9.500 7.785 1.00 0.23 C +ATOM 1158 C ARG A 147 -26.609 9.391 6.707 1.00 0.23 C +ATOM 1159 CB ARG A 147 -28.984 8.914 7.277 1.00 0.23 C +ATOM 1160 O ARG A 147 -26.609 10.148 5.734 1.00 0.23 O +ATOM 1161 CG ARG A 147 -28.953 7.410 7.047 1.00 0.23 C +ATOM 1162 CD ARG A 147 -30.297 6.863 6.633 1.00 0.23 C +ATOM 1163 NE ARG A 147 -30.234 5.441 6.293 1.00 0.23 N +ATOM 1164 NH1 ARG A 147 -32.469 5.246 5.750 1.00 0.23 N +ATOM 1165 NH2 ARG A 147 -31.078 3.426 5.605 1.00 0.23 N +ATOM 1166 CZ ARG A 147 -31.266 4.707 5.883 1.00 0.23 C +ATOM 1167 N PHE A 148 -25.641 8.609 6.996 1.00 0.00 N +ATOM 1168 CA PHE A 148 -24.656 8.328 5.953 1.00 0.00 C +ATOM 1169 C PHE A 148 -25.312 7.621 4.773 1.00 0.00 C +ATOM 1170 CB PHE A 148 -23.516 7.477 6.508 1.00 0.00 C +ATOM 1171 O PHE A 148 -25.734 6.469 4.891 1.00 0.00 O +ATOM 1172 CG PHE A 148 -22.297 7.445 5.625 1.00 0.00 C +ATOM 1173 CD1 PHE A 148 -22.156 6.480 4.633 1.00 0.00 C +ATOM 1174 CD2 PHE A 148 -21.281 8.383 5.781 1.00 0.00 C +ATOM 1175 CE1 PHE A 148 -21.031 6.449 3.812 1.00 0.00 C +ATOM 1176 CE2 PHE A 148 -20.156 8.359 4.965 1.00 0.00 C +ATOM 1177 CZ PHE A 148 -20.031 7.391 3.982 1.00 0.00 C +ATOM 1178 N GLY A 149 -25.281 8.367 3.721 1.00 0.16 N +ATOM 1179 CA GLY A 149 -25.953 7.805 2.562 1.00 0.16 C +ATOM 1180 C GLY A 149 -25.031 7.555 1.392 1.00 0.16 C +ATOM 1181 O GLY A 149 -23.797 7.594 1.544 1.00 0.16 O +ATOM 1182 N GLU A 150 -25.578 7.328 0.189 1.00 0.93 N +ATOM 1183 CA GLU A 150 -24.875 6.945 -1.028 1.00 0.93 C +ATOM 1184 C GLU A 150 -23.969 8.078 -1.521 1.00 0.93 C +ATOM 1185 CB GLU A 150 -25.859 6.543 -2.125 1.00 0.93 C +ATOM 1186 O GLU A 150 -22.844 7.840 -1.973 1.00 0.93 O +ATOM 1187 CG GLU A 150 -26.500 5.180 -1.907 1.00 0.93 C +ATOM 1188 CD GLU A 150 -27.422 4.758 -3.039 1.00 0.93 C +ATOM 1189 OE1 GLU A 150 -28.000 3.654 -2.971 1.00 0.93 O +ATOM 1190 OE2 GLU A 150 -27.562 5.543 -4.004 1.00 0.93 O +ATOM 1191 N ASN A 151 -24.469 9.266 -1.412 1.00 2.27 N +ATOM 1192 CA ASN A 151 -23.688 10.406 -1.886 1.00 2.27 C +ATOM 1193 C ASN A 151 -22.391 10.562 -1.095 1.00 2.27 C +ATOM 1194 CB ASN A 151 -24.516 11.688 -1.815 1.00 2.27 C +ATOM 1195 O ASN A 151 -21.344 10.875 -1.666 1.00 2.27 O +ATOM 1196 CG ASN A 151 -25.641 11.719 -2.842 1.00 2.27 C +ATOM 1197 ND2 ASN A 151 -26.688 12.477 -2.551 1.00 2.27 N +ATOM 1198 OD1 ASN A 151 -25.547 11.070 -3.889 1.00 2.27 O +ATOM 1199 N HIS A 152 -22.562 10.328 0.188 1.00 0.00 N +ATOM 1200 CA HIS A 152 -21.391 10.422 1.038 1.00 0.00 C +ATOM 1201 C HIS A 152 -20.375 9.320 0.711 1.00 0.00 C +ATOM 1202 CB HIS A 152 -21.781 10.352 2.514 1.00 0.00 C +ATOM 1203 O HIS A 152 -19.172 9.570 0.669 1.00 0.00 O +ATOM 1204 CG HIS A 152 -22.672 11.469 2.951 1.00 0.00 C +ATOM 1205 CD2 HIS A 152 -22.391 12.727 3.361 1.00 0.00 C +ATOM 1206 ND1 HIS A 152 -24.047 11.344 3.004 1.00 0.00 N +ATOM 1207 CE1 HIS A 152 -24.562 12.484 3.426 1.00 0.00 C +ATOM 1208 NE2 HIS A 152 -23.578 13.336 3.650 1.00 0.00 N +ATOM 1209 N ALA A 153 -20.859 8.164 0.488 1.00 0.02 N +ATOM 1210 CA ALA A 153 -20.000 7.039 0.120 1.00 0.02 C +ATOM 1211 C ALA A 153 -19.297 7.301 -1.205 1.00 0.02 C +ATOM 1212 CB ALA A 153 -20.812 5.750 0.038 1.00 0.02 C +ATOM 1213 O ALA A 153 -18.094 7.062 -1.331 1.00 0.02 O +ATOM 1214 N ILE A 154 -19.969 7.820 -2.154 1.00 0.28 N +ATOM 1215 CA ILE A 154 -19.406 8.117 -3.465 1.00 0.28 C +ATOM 1216 C ILE A 154 -18.344 9.211 -3.336 1.00 0.28 C +ATOM 1217 CB ILE A 154 -20.516 8.555 -4.465 1.00 0.28 C +ATOM 1218 O ILE A 154 -17.297 9.133 -3.973 1.00 0.28 O +ATOM 1219 CG1 ILE A 154 -21.438 7.379 -4.793 1.00 0.28 C +ATOM 1220 CG2 ILE A 154 -19.875 9.133 -5.738 1.00 0.28 C +ATOM 1221 CD1 ILE A 154 -22.672 7.770 -5.578 1.00 0.28 C +ATOM 1222 N MET A 155 -18.672 10.133 -2.520 1.00 0.10 N +ATOM 1223 CA MET A 155 -17.703 11.188 -2.252 1.00 0.10 C +ATOM 1224 C MET A 155 -16.422 10.602 -1.669 1.00 0.10 C +ATOM 1225 CB MET A 155 -18.281 12.227 -1.297 1.00 0.10 C +ATOM 1226 O MET A 155 -15.312 10.984 -2.070 1.00 0.10 O +ATOM 1227 CG MET A 155 -19.297 13.148 -1.943 1.00 0.10 C +ATOM 1228 SD MET A 155 -20.109 14.258 -0.729 1.00 0.10 S +ATOM 1229 CE MET A 155 -18.672 15.148 -0.086 1.00 0.10 C +ATOM 1230 N GLY A 156 -16.625 9.711 -0.721 1.00 0.00 N +ATOM 1231 CA GLY A 156 -15.477 9.047 -0.120 1.00 0.00 C +ATOM 1232 C GLY A 156 -14.656 8.258 -1.119 1.00 0.00 C +ATOM 1233 O GLY A 156 -13.422 8.359 -1.139 1.00 0.00 O +ATOM 1234 N VAL A 157 -15.281 7.531 -1.958 1.00 0.27 N +ATOM 1235 CA VAL A 157 -14.609 6.727 -2.973 1.00 0.27 C +ATOM 1236 C VAL A 157 -13.898 7.641 -3.969 1.00 0.27 C +ATOM 1237 CB VAL A 157 -15.602 5.801 -3.715 1.00 0.27 C +ATOM 1238 O VAL A 157 -12.750 7.379 -4.348 1.00 0.27 O +ATOM 1239 CG1 VAL A 157 -14.938 5.152 -4.926 1.00 0.27 C +ATOM 1240 CG2 VAL A 157 -16.141 4.734 -2.766 1.00 0.27 C +ATOM 1241 N SER A 158 -14.586 8.664 -4.344 1.00 0.16 N +ATOM 1242 CA SER A 158 -13.992 9.617 -5.273 1.00 0.16 C +ATOM 1243 C SER A 158 -12.734 10.250 -4.684 1.00 0.16 C +ATOM 1244 CB SER A 158 -15.000 10.711 -5.633 1.00 0.16 C +ATOM 1245 O SER A 158 -11.742 10.430 -5.391 1.00 0.16 O +ATOM 1246 OG SER A 158 -16.141 10.156 -6.273 1.00 0.16 O +ATOM 1247 N LEU A 159 -12.797 10.531 -3.455 1.00 0.58 N +ATOM 1248 CA LEU A 159 -11.656 11.125 -2.775 1.00 0.58 C +ATOM 1249 C LEU A 159 -10.461 10.180 -2.787 1.00 0.58 C +ATOM 1250 CB LEU A 159 -12.023 11.492 -1.334 1.00 0.58 C +ATOM 1251 O LEU A 159 -9.328 10.602 -3.049 1.00 0.58 O +ATOM 1252 CG LEU A 159 -10.883 12.031 -0.463 1.00 0.58 C +ATOM 1253 CD1 LEU A 159 -10.414 13.383 -0.975 1.00 0.58 C +ATOM 1254 CD2 LEU A 159 -11.320 12.125 0.994 1.00 0.58 C +ATOM 1255 N THR A 160 -10.750 8.930 -2.557 1.00 0.01 N +ATOM 1256 CA THR A 160 -9.656 7.961 -2.521 1.00 0.01 C +ATOM 1257 C THR A 160 -8.961 7.883 -3.875 1.00 0.01 C +ATOM 1258 CB THR A 160 -10.172 6.562 -2.125 1.00 0.01 C +ATOM 1259 O THR A 160 -7.730 7.824 -3.941 1.00 0.01 O +ATOM 1260 CG2 THR A 160 -10.867 6.594 -0.768 1.00 0.01 C +ATOM 1261 OG1 THR A 160 -11.102 6.102 -3.113 1.00 0.01 O +ATOM 1262 N TRP A 161 -9.656 7.922 -4.906 1.00 0.00 N +ATOM 1263 CA TRP A 161 -9.102 7.852 -6.254 1.00 0.00 C +ATOM 1264 C TRP A 161 -8.336 9.125 -6.598 1.00 0.00 C +ATOM 1265 CB TRP A 161 -10.211 7.609 -7.285 1.00 0.00 C +ATOM 1266 O TRP A 161 -7.230 9.062 -7.148 1.00 0.00 O +ATOM 1267 CG TRP A 161 -10.641 6.180 -7.387 1.00 0.00 C +ATOM 1268 CD1 TRP A 161 -11.641 5.570 -6.676 1.00 0.00 C +ATOM 1269 CD2 TRP A 161 -10.094 5.180 -8.250 1.00 0.00 C +ATOM 1270 CE2 TRP A 161 -10.805 3.984 -8.016 1.00 0.00 C +ATOM 1271 CE3 TRP A 161 -9.070 5.180 -9.211 1.00 0.00 C +ATOM 1272 NE1 TRP A 161 -11.742 4.250 -7.047 1.00 0.00 N +ATOM 1273 CH2 TRP A 161 -9.523 2.826 -9.625 1.00 0.00 C +ATOM 1274 CZ2 TRP A 161 -10.523 2.799 -8.695 1.00 0.00 C +ATOM 1275 CZ3 TRP A 161 -8.797 4.000 -9.891 1.00 0.00 C +ATOM 1276 N THR A 162 -8.945 10.188 -6.258 1.00 8.55 N +ATOM 1277 CA THR A 162 -8.297 11.461 -6.547 1.00 8.55 C +ATOM 1278 C THR A 162 -6.953 11.555 -5.824 1.00 8.55 C +ATOM 1279 CB THR A 162 -9.188 12.648 -6.145 1.00 8.55 C +ATOM 1280 O THR A 162 -5.941 11.914 -6.430 1.00 8.55 O +ATOM 1281 CG2 THR A 162 -8.484 13.977 -6.406 1.00 8.55 C +ATOM 1282 OG1 THR A 162 -10.398 12.609 -6.902 1.00 8.55 O +ATOM 1283 N MET A 163 -6.969 11.219 -4.582 1.00 0.20 N +ATOM 1284 CA MET A 163 -5.746 11.289 -3.787 1.00 0.20 C +ATOM 1285 C MET A 163 -4.719 10.281 -4.285 1.00 0.20 C +ATOM 1286 CB MET A 163 -6.051 11.039 -2.311 1.00 0.20 C +ATOM 1287 O MET A 163 -3.521 10.570 -4.324 1.00 0.20 O +ATOM 1288 CG MET A 163 -6.867 12.141 -1.658 1.00 0.20 C +ATOM 1289 SD MET A 163 -6.086 13.797 -1.832 1.00 0.20 S +ATOM 1290 CE MET A 163 -4.664 13.594 -0.727 1.00 0.20 C +ATOM 1291 N ALA A 164 -5.180 9.109 -4.676 1.00 1.30 N +ATOM 1292 CA ALA A 164 -4.285 8.078 -5.199 1.00 1.30 C +ATOM 1293 C ALA A 164 -3.646 8.531 -6.512 1.00 1.30 C +ATOM 1294 CB ALA A 164 -5.039 6.766 -5.402 1.00 1.30 C +ATOM 1295 O ALA A 164 -2.434 8.398 -6.699 1.00 1.30 O +ATOM 1296 N LEU A 165 -4.410 9.109 -7.344 1.00 0.63 N +ATOM 1297 CA LEU A 165 -3.900 9.562 -8.633 1.00 0.63 C +ATOM 1298 C LEU A 165 -2.965 10.758 -8.461 1.00 0.63 C +ATOM 1299 CB LEU A 165 -5.059 9.938 -9.562 1.00 0.63 C +ATOM 1300 O LEU A 165 -2.031 10.938 -9.250 1.00 0.63 O +ATOM 1301 CG LEU A 165 -5.867 8.773 -10.141 1.00 0.63 C +ATOM 1302 CD1 LEU A 165 -7.152 9.289 -10.781 1.00 0.63 C +ATOM 1303 CD2 LEU A 165 -5.035 8.000 -11.156 1.00 0.63 C +ATOM 1304 N ALA A 166 -3.238 11.586 -7.496 1.00 0.76 N +ATOM 1305 CA ALA A 166 -2.404 12.750 -7.203 1.00 0.76 C +ATOM 1306 C ALA A 166 -1.004 12.320 -6.770 1.00 0.76 C +ATOM 1307 CB ALA A 166 -3.053 13.609 -6.125 1.00 0.76 C +ATOM 1308 O ALA A 166 -0.060 13.109 -6.836 1.00 0.76 O +ATOM 1309 N CYS A 167 -0.904 11.078 -6.453 1.00 1.51 N +ATOM 1310 CA CYS A 167 0.379 10.555 -6.000 1.00 1.51 C +ATOM 1311 C CYS A 167 1.026 9.695 -7.082 1.00 1.51 C +ATOM 1312 CB CYS A 167 0.201 9.734 -4.723 1.00 1.51 C +ATOM 1313 O CYS A 167 2.248 9.711 -7.242 1.00 1.51 O +ATOM 1314 SG CYS A 167 1.673 8.805 -4.246 1.00 1.51 S +ATOM 1315 N THR A 168 0.257 8.953 -7.848 1.00 0.09 N +ATOM 1316 CA THR A 168 0.805 7.898 -8.695 1.00 0.09 C +ATOM 1317 C THR A 168 1.130 8.438 -10.086 1.00 0.09 C +ATOM 1318 CB THR A 168 -0.172 6.715 -8.820 1.00 0.09 C +ATOM 1319 O THR A 168 2.049 7.953 -10.742 1.00 0.09 O +ATOM 1320 CG2 THR A 168 -0.376 6.027 -7.473 1.00 0.09 C +ATOM 1321 OG1 THR A 168 -1.437 7.191 -9.289 1.00 0.09 O +ATOM 1322 N VAL A 169 0.453 9.516 -10.516 1.00 1.16 N +ATOM 1323 CA VAL A 169 0.601 10.031 -11.867 1.00 1.16 C +ATOM 1324 C VAL A 169 1.845 10.914 -11.953 1.00 1.16 C +ATOM 1325 CB VAL A 169 -0.647 10.828 -12.312 1.00 1.16 C +ATOM 1326 O VAL A 169 2.600 10.844 -12.922 1.00 1.16 O +ATOM 1327 CG1 VAL A 169 -0.355 11.641 -13.570 1.00 1.16 C +ATOM 1328 CG2 VAL A 169 -1.829 9.891 -12.531 1.00 1.16 C +ATOM 1329 N PRO A 170 2.117 11.680 -10.984 1.00 0.14 N +ATOM 1330 CA PRO A 170 3.229 12.633 -11.062 1.00 0.14 C +ATOM 1331 C PRO A 170 4.547 11.969 -11.453 1.00 0.14 C +ATOM 1332 CB PRO A 170 3.301 13.203 -9.648 1.00 0.14 C +ATOM 1333 O PRO A 170 5.281 12.492 -12.297 1.00 0.14 O +ATOM 1334 CG PRO A 170 1.884 13.227 -9.172 1.00 0.14 C +ATOM 1335 CD PRO A 170 1.197 11.984 -9.656 1.00 0.14 C +ATOM 1336 N PRO A 171 5.004 10.883 -10.922 1.00 0.00 N +ATOM 1337 CA PRO A 171 6.266 10.273 -11.344 1.00 0.00 C +ATOM 1338 C PRO A 171 6.277 9.922 -12.828 1.00 0.00 C +ATOM 1339 CB PRO A 171 6.355 9.016 -10.484 1.00 0.00 C +ATOM 1340 O PRO A 171 7.348 9.797 -13.430 1.00 0.00 O +ATOM 1341 CG PRO A 171 5.602 9.352 -9.234 1.00 0.00 C +ATOM 1342 CD PRO A 171 4.414 10.188 -9.609 1.00 0.00 C +ATOM 1343 N LEU A 172 5.121 9.812 -13.422 1.00 0.50 N +ATOM 1344 CA LEU A 172 5.020 9.484 -14.836 1.00 0.50 C +ATOM 1345 C LEU A 172 5.250 10.711 -15.703 1.00 0.50 C +ATOM 1346 CB LEU A 172 3.650 8.875 -15.148 1.00 0.50 C +ATOM 1347 O LEU A 172 5.594 10.594 -16.875 1.00 0.50 O +ATOM 1348 CG LEU A 172 3.330 7.539 -14.469 1.00 0.50 C +ATOM 1349 CD1 LEU A 172 1.897 7.117 -14.773 1.00 0.50 C +ATOM 1350 CD2 LEU A 172 4.316 6.465 -14.906 1.00 0.50 C +ATOM 1351 N VAL A 173 5.039 11.852 -15.078 1.00 0.55 N +ATOM 1352 CA VAL A 173 5.082 13.047 -15.914 1.00 0.55 C +ATOM 1353 C VAL A 173 6.227 13.953 -15.477 1.00 0.55 C +ATOM 1354 CB VAL A 173 3.744 13.812 -15.875 1.00 0.55 C +ATOM 1355 O VAL A 173 6.230 15.148 -15.773 1.00 0.55 O +ATOM 1356 CG1 VAL A 173 2.627 12.992 -16.516 1.00 0.55 C +ATOM 1357 CG2 VAL A 173 3.385 14.180 -14.438 1.00 0.55 C +ATOM 1358 N GLY A 174 7.109 13.461 -14.555 1.00 0.00 N +ATOM 1359 CA GLY A 174 8.375 14.148 -14.352 1.00 0.00 C +ATOM 1360 C GLY A 174 8.539 14.695 -12.945 1.00 0.00 C +ATOM 1361 O GLY A 174 9.562 15.320 -12.633 1.00 0.00 O +ATOM 1362 N TRP A 175 7.500 14.617 -12.039 1.00 0.00 N +ATOM 1363 CA TRP A 175 7.668 14.891 -10.617 1.00 0.00 C +ATOM 1364 C TRP A 175 7.941 13.609 -9.844 1.00 0.00 C +ATOM 1365 CB TRP A 175 6.430 15.586 -10.055 1.00 0.00 C +ATOM 1366 O TRP A 175 7.016 12.852 -9.531 1.00 0.00 O +ATOM 1367 CG TRP A 175 6.625 16.172 -8.688 1.00 0.00 C +ATOM 1368 CD1 TRP A 175 7.816 16.391 -8.047 1.00 0.00 C +ATOM 1369 CD2 TRP A 175 5.602 16.594 -7.785 1.00 0.00 C +ATOM 1370 CE2 TRP A 175 6.242 17.078 -6.621 1.00 0.00 C +ATOM 1371 CE3 TRP A 175 4.199 16.625 -7.852 1.00 0.00 C +ATOM 1372 NE1 TRP A 175 7.590 16.938 -6.805 1.00 0.00 N +ATOM 1373 CH2 TRP A 175 4.160 17.594 -5.617 1.00 0.00 C +ATOM 1374 CZ2 TRP A 175 5.527 17.578 -5.527 1.00 0.00 C +ATOM 1375 CZ3 TRP A 175 3.494 17.125 -6.762 1.00 0.00 C +ATOM 1376 N SER A 176 9.211 13.344 -9.781 1.00 0.37 N +ATOM 1377 CA SER A 176 9.789 12.070 -9.367 1.00 0.37 C +ATOM 1378 C SER A 176 9.836 11.086 -10.523 1.00 0.37 C +ATOM 1379 CB SER A 176 8.984 11.477 -8.211 1.00 0.37 C +ATOM 1380 O SER A 176 9.758 11.484 -11.688 1.00 0.37 O +ATOM 1381 OG SER A 176 9.680 10.383 -7.629 1.00 0.37 O +ATOM 1382 N ARG A 177 10.141 9.812 -10.195 1.00 0.00 N +ATOM 1383 CA ARG A 177 10.219 8.758 -11.195 1.00 0.00 C +ATOM 1384 C ARG A 177 10.078 7.383 -10.547 1.00 0.00 C +ATOM 1385 CB ARG A 177 11.531 8.836 -11.977 1.00 0.00 C +ATOM 1386 O ARG A 177 10.414 7.207 -9.375 1.00 0.00 O +ATOM 1387 CG ARG A 177 12.773 8.688 -11.109 1.00 0.00 C +ATOM 1388 CD ARG A 177 14.047 8.852 -11.922 1.00 0.00 C +ATOM 1389 NE ARG A 177 15.234 8.641 -11.102 1.00 0.00 N +ATOM 1390 NH1 ARG A 177 16.734 9.062 -12.812 1.00 0.00 N +ATOM 1391 NH2 ARG A 177 17.500 8.539 -10.711 1.00 0.00 N +ATOM 1392 CZ ARG A 177 16.484 8.750 -11.547 1.00 0.00 C +ATOM 1393 N TYR A 178 9.516 6.422 -11.359 1.00 0.38 N +ATOM 1394 CA TYR A 178 9.508 5.031 -10.930 1.00 0.38 C +ATOM 1395 C TYR A 178 10.797 4.324 -11.344 1.00 0.38 C +ATOM 1396 CB TYR A 178 8.297 4.293 -11.508 1.00 0.38 C +ATOM 1397 O TYR A 178 11.164 4.336 -12.516 1.00 0.38 O +ATOM 1398 CG TYR A 178 6.980 4.727 -10.914 1.00 0.38 C +ATOM 1399 CD1 TYR A 178 6.688 4.480 -9.570 1.00 0.38 C +ATOM 1400 CD2 TYR A 178 6.031 5.379 -11.688 1.00 0.38 C +ATOM 1401 CE1 TYR A 178 5.473 4.875 -9.023 1.00 0.38 C +ATOM 1402 CE2 TYR A 178 4.812 5.777 -11.148 1.00 0.38 C +ATOM 1403 OH TYR A 178 3.342 5.914 -9.273 1.00 0.38 O +ATOM 1404 CZ TYR A 178 4.543 5.523 -9.812 1.00 0.38 C +ATOM 1405 N ILE A 179 11.414 3.730 -10.352 1.00 0.18 N +ATOM 1406 CA ILE A 179 12.641 2.988 -10.633 1.00 0.18 C +ATOM 1407 C ILE A 179 12.609 1.648 -9.898 1.00 0.18 C +ATOM 1408 CB ILE A 179 13.898 3.795 -10.227 1.00 0.18 C +ATOM 1409 O ILE A 179 11.867 1.478 -8.930 1.00 0.18 O +ATOM 1410 CG1 ILE A 179 13.898 4.055 -8.719 1.00 0.18 C +ATOM 1411 CG2 ILE A 179 13.969 5.109 -11.008 1.00 0.18 C +ATOM 1412 CD1 ILE A 179 15.188 4.684 -8.195 1.00 0.18 C +ATOM 1413 N PRO A 180 13.430 0.674 -10.375 1.00 0.00 N +ATOM 1414 CA PRO A 180 13.500 -0.594 -9.648 1.00 0.00 C +ATOM 1415 C PRO A 180 13.984 -0.421 -8.211 1.00 0.00 C +ATOM 1416 CB PRO A 180 14.508 -1.413 -10.461 1.00 0.00 C +ATOM 1417 O PRO A 180 14.852 0.418 -7.941 1.00 0.00 O +ATOM 1418 CG PRO A 180 14.414 -0.852 -11.844 1.00 0.00 C +ATOM 1419 CD PRO A 180 14.203 0.631 -11.742 1.00 0.00 C +ATOM 1420 N GLU A 181 13.344 -1.181 -7.312 1.00 5.62 N +ATOM 1421 CA GLU A 181 13.680 -1.062 -5.895 1.00 5.62 C +ATOM 1422 C GLU A 181 14.164 -2.395 -5.332 1.00 5.62 C +ATOM 1423 CB GLU A 181 12.477 -0.562 -5.094 1.00 5.62 C +ATOM 1424 O GLU A 181 13.867 -3.455 -5.887 1.00 5.62 O +ATOM 1425 CG GLU A 181 11.328 -1.559 -5.023 1.00 5.62 C +ATOM 1426 CD GLU A 181 10.148 -1.060 -4.203 1.00 5.62 C +ATOM 1427 OE1 GLU A 181 9.094 -1.735 -4.180 1.00 5.62 O +ATOM 1428 OE2 GLU A 181 10.281 0.015 -3.576 1.00 5.62 O +ATOM 1429 N GLY A 182 14.906 -2.334 -4.227 1.00 0.00 N +ATOM 1430 CA GLY A 182 15.344 -3.525 -3.516 1.00 0.00 C +ATOM 1431 C GLY A 182 16.203 -4.445 -4.367 1.00 0.00 C +ATOM 1432 O GLY A 182 17.219 -4.023 -4.922 1.00 0.00 O +ATOM 1433 N MET A 183 15.648 -5.633 -4.547 1.00 0.00 N +ATOM 1434 CA MET A 183 16.328 -6.668 -5.316 1.00 0.00 C +ATOM 1435 C MET A 183 16.203 -6.410 -6.812 1.00 0.00 C +ATOM 1436 CB MET A 183 15.781 -8.047 -4.969 1.00 0.00 C +ATOM 1437 O MET A 183 16.594 -7.246 -7.625 1.00 0.00 O +ATOM 1438 CG MET A 183 16.031 -8.469 -3.533 1.00 0.00 C +ATOM 1439 SD MET A 183 15.359 -10.141 -3.158 1.00 0.00 S +ATOM 1440 CE MET A 183 14.500 -10.492 -4.715 1.00 0.00 C +ATOM 1441 N GLN A 184 15.555 -5.410 -7.141 1.00 10.75 N +ATOM 1442 CA GLN A 184 15.422 -4.867 -8.492 1.00 10.75 C +ATOM 1443 C GLN A 184 14.414 -5.664 -9.305 1.00 10.75 C +ATOM 1444 CB GLN A 184 16.781 -4.852 -9.195 1.00 10.75 C +ATOM 1445 O GLN A 184 14.578 -5.824 -10.516 1.00 10.75 O +ATOM 1446 CG GLN A 184 17.859 -4.066 -8.453 1.00 10.75 C +ATOM 1447 CD GLN A 184 17.531 -2.588 -8.352 1.00 10.75 C +ATOM 1448 NE2 GLN A 184 17.734 -2.018 -7.164 1.00 10.75 N +ATOM 1449 OE1 GLN A 184 17.109 -1.961 -9.320 1.00 10.75 O +ATOM 1450 N CYS A 185 13.469 -6.238 -8.703 1.00 0.02 N +ATOM 1451 CA CYS A 185 12.445 -7.023 -9.383 1.00 0.02 C +ATOM 1452 C CYS A 185 11.086 -6.344 -9.281 1.00 0.02 C +ATOM 1453 CB CYS A 185 12.367 -8.430 -8.789 1.00 0.02 C +ATOM 1454 O CYS A 185 10.070 -6.906 -9.703 1.00 0.02 O +ATOM 1455 SG CYS A 185 13.828 -9.438 -9.125 1.00 0.02 S +ATOM 1456 N SER A 186 11.055 -5.250 -8.625 1.00 0.61 N +ATOM 1457 CA SER A 186 9.875 -4.398 -8.500 1.00 0.61 C +ATOM 1458 C SER A 186 10.234 -2.928 -8.672 1.00 0.61 C +ATOM 1459 CB SER A 186 9.203 -4.613 -7.145 1.00 0.61 C +ATOM 1460 O SER A 186 11.414 -2.561 -8.609 1.00 0.61 O +ATOM 1461 OG SER A 186 10.055 -4.207 -6.090 1.00 0.61 O +ATOM 1462 N CYS A 187 9.180 -2.184 -8.906 1.00 0.00 N +ATOM 1463 CA CYS A 187 9.438 -0.764 -9.125 1.00 0.00 C +ATOM 1464 C CYS A 187 8.680 0.089 -8.109 1.00 0.00 C +ATOM 1465 CB CYS A 187 9.055 -0.355 -10.547 1.00 0.00 C +ATOM 1466 O CYS A 187 7.613 -0.304 -7.641 1.00 0.00 O +ATOM 1467 SG CYS A 187 10.023 -1.168 -11.828 1.00 0.00 S +ATOM 1468 N GLY A 188 9.273 1.220 -7.730 1.00 0.88 N +ATOM 1469 CA GLY A 188 8.664 2.166 -6.812 1.00 0.88 C +ATOM 1470 C GLY A 188 9.164 3.588 -7.000 1.00 0.88 C +ATOM 1471 O GLY A 188 9.922 3.865 -7.930 1.00 0.88 O +ATOM 1472 N ILE A 189 8.695 4.410 -6.102 1.00 0.96 N +ATOM 1473 CA ILE A 189 9.062 5.820 -6.121 1.00 0.96 C +ATOM 1474 C ILE A 189 10.547 5.969 -5.785 1.00 0.96 C +ATOM 1475 CB ILE A 189 8.203 6.645 -5.141 1.00 0.96 C +ATOM 1476 O ILE A 189 11.094 5.191 -5.000 1.00 0.96 O +ATOM 1477 CG1 ILE A 189 6.727 6.598 -5.555 1.00 0.96 C +ATOM 1478 CG2 ILE A 189 8.703 8.086 -5.062 1.00 0.96 C +ATOM 1479 CD1 ILE A 189 5.762 7.051 -4.465 1.00 0.96 C +ATOM 1480 N ASP A 190 11.164 6.945 -6.430 1.00 0.00 N +ATOM 1481 CA ASP A 190 12.594 7.176 -6.223 1.00 0.00 C +ATOM 1482 C ASP A 190 12.844 7.930 -4.918 1.00 0.00 C +ATOM 1483 CB ASP A 190 13.188 7.953 -7.398 1.00 0.00 C +ATOM 1484 O ASP A 190 12.719 9.156 -4.867 1.00 0.00 O +ATOM 1485 CG ASP A 190 14.695 8.086 -7.320 1.00 0.00 C +ATOM 1486 OD1 ASP A 190 15.297 7.641 -6.316 1.00 0.00 O +ATOM 1487 OD2 ASP A 190 15.289 8.641 -8.266 1.00 0.00 O +ATOM 1488 N TYR A 191 13.133 7.168 -3.865 1.00 0.03 N +ATOM 1489 CA TYR A 191 13.477 7.777 -2.586 1.00 0.03 C +ATOM 1490 C TYR A 191 14.984 7.766 -2.367 1.00 0.03 C +ATOM 1491 CB TYR A 191 12.773 7.051 -1.436 1.00 0.03 C +ATOM 1492 O TYR A 191 15.469 8.211 -1.324 1.00 0.03 O +ATOM 1493 CG TYR A 191 11.320 6.746 -1.704 1.00 0.03 C +ATOM 1494 CD1 TYR A 191 10.375 7.770 -1.768 1.00 0.03 C +ATOM 1495 CD2 TYR A 191 10.891 5.441 -1.895 1.00 0.03 C +ATOM 1496 CE1 TYR A 191 9.039 7.496 -2.012 1.00 0.03 C +ATOM 1497 CE2 TYR A 191 9.547 5.152 -2.141 1.00 0.03 C +ATOM 1498 OH TYR A 191 7.305 5.910 -2.441 1.00 0.03 O +ATOM 1499 CZ TYR A 191 8.633 6.188 -2.197 1.00 0.03 C +ATOM 1500 N TYR A 192 15.711 7.320 -3.391 1.00 0.00 N +ATOM 1501 CA TYR A 192 17.125 7.008 -3.275 1.00 0.00 C +ATOM 1502 C TYR A 192 17.984 8.180 -3.738 1.00 0.00 C +ATOM 1503 CB TYR A 192 17.484 5.758 -4.086 1.00 0.00 C +ATOM 1504 O TYR A 192 19.062 8.422 -3.195 1.00 0.00 O +ATOM 1505 CG TYR A 192 16.625 4.559 -3.746 1.00 0.00 C +ATOM 1506 CD1 TYR A 192 16.938 3.754 -2.650 1.00 0.00 C +ATOM 1507 CD2 TYR A 192 15.516 4.227 -4.520 1.00 0.00 C +ATOM 1508 CE1 TYR A 192 16.156 2.646 -2.332 1.00 0.00 C +ATOM 1509 CE2 TYR A 192 14.734 3.121 -4.211 1.00 0.00 C +ATOM 1510 OH TYR A 192 14.281 1.245 -2.809 1.00 0.00 O +ATOM 1511 CZ TYR A 192 15.055 2.340 -3.117 1.00 0.00 C +ATOM 1512 N THR A 193 17.469 8.820 -4.738 1.00 0.00 N +ATOM 1513 CA THR A 193 18.359 9.766 -5.406 1.00 0.00 C +ATOM 1514 C THR A 193 17.734 11.148 -5.488 1.00 0.00 C +ATOM 1515 CB THR A 193 18.734 9.281 -6.824 1.00 0.00 C +ATOM 1516 O THR A 193 16.531 11.297 -5.258 1.00 0.00 O +ATOM 1517 CG2 THR A 193 19.203 7.828 -6.805 1.00 0.00 C +ATOM 1518 OG1 THR A 193 17.578 9.391 -7.668 1.00 0.00 O +ATOM 1519 N ARG A 194 18.562 12.180 -5.738 1.00 0.19 N +ATOM 1520 CA ARG A 194 18.156 13.531 -6.102 1.00 0.19 C +ATOM 1521 C ARG A 194 18.516 13.844 -7.551 1.00 0.19 C +ATOM 1522 CB ARG A 194 18.797 14.555 -5.164 1.00 0.19 C +ATOM 1523 O ARG A 194 19.266 14.781 -7.816 1.00 0.19 O +ATOM 1524 CG ARG A 194 18.484 14.328 -3.695 1.00 0.19 C +ATOM 1525 CD ARG A 194 17.000 14.539 -3.389 1.00 0.19 C +ATOM 1526 NE ARG A 194 16.734 14.453 -1.956 1.00 0.19 N +ATOM 1527 NH1 ARG A 194 15.805 12.336 -2.053 1.00 0.19 N +ATOM 1528 NH2 ARG A 194 15.969 13.430 -0.045 1.00 0.19 N +ATOM 1529 CZ ARG A 194 16.172 13.406 -1.354 1.00 0.19 C +ATOM 1530 N ALA A 195 17.953 12.945 -8.359 1.00 0.00 N +ATOM 1531 CA ALA A 195 18.266 13.039 -9.781 1.00 0.00 C +ATOM 1532 C ALA A 195 17.797 14.375 -10.359 1.00 0.00 C +ATOM 1533 CB ALA A 195 17.609 11.891 -10.539 1.00 0.00 C +ATOM 1534 O ALA A 195 16.688 14.828 -10.078 1.00 0.00 O +ATOM 1535 N GLU A 196 18.719 15.055 -11.078 1.00 0.00 N +ATOM 1536 CA GLU A 196 18.422 16.359 -11.656 1.00 0.00 C +ATOM 1537 C GLU A 196 17.203 16.297 -12.578 1.00 0.00 C +ATOM 1538 CB GLU A 196 19.641 16.891 -12.422 1.00 0.00 C +ATOM 1539 O GLU A 196 17.094 15.383 -13.391 1.00 0.00 O +ATOM 1540 CG GLU A 196 20.766 17.391 -11.531 1.00 0.00 C +ATOM 1541 CD GLU A 196 21.891 18.078 -12.297 1.00 0.00 C +ATOM 1542 OE1 GLU A 196 22.859 18.547 -11.664 1.00 0.00 O +ATOM 1543 OE2 GLU A 196 21.797 18.125 -13.539 1.00 0.00 O +ATOM 1544 N GLY A 197 16.203 17.203 -12.383 1.00 0.09 N +ATOM 1545 CA GLY A 197 15.070 17.328 -13.289 1.00 0.09 C +ATOM 1546 C GLY A 197 13.836 16.594 -12.797 1.00 0.09 C +ATOM 1547 O GLY A 197 12.758 16.734 -13.375 1.00 0.09 O +ATOM 1548 N PHE A 198 13.922 15.812 -11.688 1.00 0.67 N +ATOM 1549 CA PHE A 198 12.773 15.016 -11.266 1.00 0.67 C +ATOM 1550 C PHE A 198 12.188 15.555 -9.969 1.00 0.67 C +ATOM 1551 CB PHE A 198 13.180 13.547 -11.086 1.00 0.67 C +ATOM 1552 O PHE A 198 11.062 15.203 -9.602 1.00 0.67 O +ATOM 1553 CG PHE A 198 13.422 12.820 -12.375 1.00 0.67 C +ATOM 1554 CD1 PHE A 198 12.352 12.391 -13.156 1.00 0.67 C +ATOM 1555 CD2 PHE A 198 14.719 12.562 -12.820 1.00 0.67 C +ATOM 1556 CE1 PHE A 198 12.578 11.711 -14.359 1.00 0.67 C +ATOM 1557 CE2 PHE A 198 14.945 11.891 -14.016 1.00 0.67 C +ATOM 1558 CZ PHE A 198 13.867 11.469 -14.781 1.00 0.67 C +ATOM 1559 N ASN A 199 12.945 16.406 -9.266 1.00 0.05 N +ATOM 1560 CA ASN A 199 12.492 17.000 -8.016 1.00 0.05 C +ATOM 1561 C ASN A 199 12.016 15.945 -7.027 1.00 0.05 C +ATOM 1562 CB ASN A 199 11.383 18.031 -8.281 1.00 0.05 C +ATOM 1563 O ASN A 199 10.930 16.078 -6.453 1.00 0.05 O +ATOM 1564 CG ASN A 199 11.844 19.172 -9.148 1.00 0.05 C +ATOM 1565 ND2 ASN A 199 11.109 19.438 -10.227 1.00 0.05 N +ATOM 1566 OD1 ASN A 199 12.852 19.828 -8.859 1.00 0.05 O +ATOM 1567 N ASN A 200 12.859 14.844 -6.848 1.00 0.17 N +ATOM 1568 CA ASN A 200 12.531 13.727 -5.969 1.00 0.17 C +ATOM 1569 C ASN A 200 12.352 14.188 -4.527 1.00 0.17 C +ATOM 1570 CB ASN A 200 13.609 12.641 -6.051 1.00 0.17 C +ATOM 1571 O ASN A 200 11.500 13.656 -3.807 1.00 0.17 O +ATOM 1572 CG ASN A 200 13.602 11.914 -7.379 1.00 0.17 C +ATOM 1573 ND2 ASN A 200 14.781 11.484 -7.824 1.00 0.17 N +ATOM 1574 OD1 ASN A 200 12.555 11.734 -8.000 1.00 0.17 O +ATOM 1575 N GLU A 201 13.117 15.188 -4.234 1.00 0.00 N +ATOM 1576 CA GLU A 201 13.062 15.672 -2.855 1.00 0.00 C +ATOM 1577 C GLU A 201 11.680 16.203 -2.516 1.00 0.00 C +ATOM 1578 CB GLU A 201 14.117 16.750 -2.621 1.00 0.00 C +ATOM 1579 O GLU A 201 11.078 15.812 -1.513 1.00 0.00 O +ATOM 1580 CG GLU A 201 14.211 17.219 -1.176 1.00 0.00 C +ATOM 1581 CD GLU A 201 15.305 18.250 -0.944 1.00 0.00 C +ATOM 1582 OE1 GLU A 201 15.359 18.844 0.157 1.00 0.00 O +ATOM 1583 OE2 GLU A 201 16.125 18.453 -1.872 1.00 0.00 O +ATOM 1584 N SER A 202 11.227 17.141 -3.271 1.00 0.02 N +ATOM 1585 CA SER A 202 9.914 17.719 -3.020 1.00 0.02 C +ATOM 1586 C SER A 202 8.820 16.672 -3.076 1.00 0.02 C +ATOM 1587 CB SER A 202 9.625 18.828 -4.027 1.00 0.02 C +ATOM 1588 O SER A 202 7.875 16.703 -2.283 1.00 0.02 O +ATOM 1589 OG SER A 202 9.609 18.328 -5.348 1.00 0.02 O +ATOM 1590 N PHE A 203 8.953 15.727 -3.881 1.00 1.00 N +ATOM 1591 CA PHE A 203 7.930 14.703 -4.062 1.00 1.00 C +ATOM 1592 C PHE A 203 7.879 13.766 -2.861 1.00 1.00 C +ATOM 1593 CB PHE A 203 8.180 13.906 -5.344 1.00 1.00 C +ATOM 1594 O PHE A 203 6.797 13.422 -2.381 1.00 1.00 O +ATOM 1595 CG PHE A 203 7.070 12.953 -5.691 1.00 1.00 C +ATOM 1596 CD1 PHE A 203 7.234 11.586 -5.527 1.00 1.00 C +ATOM 1597 CD2 PHE A 203 5.863 13.430 -6.188 1.00 1.00 C +ATOM 1598 CE1 PHE A 203 6.207 10.695 -5.852 1.00 1.00 C +ATOM 1599 CE2 PHE A 203 4.832 12.547 -6.512 1.00 1.00 C +ATOM 1600 CZ PHE A 203 5.008 11.188 -6.344 1.00 1.00 C +ATOM 1601 N VAL A 204 9.039 13.336 -2.402 1.00 0.00 N +ATOM 1602 CA VAL A 204 9.078 12.438 -1.255 1.00 0.00 C +ATOM 1603 C VAL A 204 8.484 13.133 -0.031 1.00 0.00 C +ATOM 1604 CB VAL A 204 10.516 11.969 -0.956 1.00 0.00 C +ATOM 1605 O VAL A 204 7.754 12.523 0.749 1.00 0.00 O +ATOM 1606 CG1 VAL A 204 10.570 11.180 0.356 1.00 0.00 C +ATOM 1607 CG2 VAL A 204 11.047 11.117 -2.109 1.00 0.00 C +ATOM 1608 N LEU A 205 8.797 14.406 0.171 1.00 2.51 N +ATOM 1609 CA LEU A 205 8.195 15.172 1.259 1.00 2.51 C +ATOM 1610 C LEU A 205 6.676 15.219 1.113 1.00 2.51 C +ATOM 1611 CB LEU A 205 8.766 16.594 1.294 1.00 2.51 C +ATOM 1612 O LEU A 205 5.949 15.062 2.096 1.00 2.51 O +ATOM 1613 CG LEU A 205 10.219 16.734 1.745 1.00 2.51 C +ATOM 1614 CD1 LEU A 205 10.719 18.141 1.505 1.00 2.51 C +ATOM 1615 CD2 LEU A 205 10.359 16.344 3.215 1.00 2.51 C +ATOM 1616 N TYR A 206 6.223 15.453 -0.033 1.00 0.05 N +ATOM 1617 CA TYR A 206 4.797 15.445 -0.350 1.00 0.05 C +ATOM 1618 C TYR A 206 4.164 14.109 0.003 1.00 0.05 C +ATOM 1619 CB TYR A 206 4.574 15.758 -1.834 1.00 0.05 C +ATOM 1620 O TYR A 206 3.135 14.062 0.681 1.00 0.05 O +ATOM 1621 CG TYR A 206 3.197 15.391 -2.330 1.00 0.05 C +ATOM 1622 CD1 TYR A 206 3.008 14.312 -3.186 1.00 0.05 C +ATOM 1623 CD2 TYR A 206 2.082 16.125 -1.943 1.00 0.05 C +ATOM 1624 CE1 TYR A 206 1.739 13.969 -3.646 1.00 0.05 C +ATOM 1625 CE2 TYR A 206 0.810 15.797 -2.398 1.00 0.05 C +ATOM 1626 OH TYR A 206 -0.609 14.391 -3.701 1.00 0.05 O +ATOM 1627 CZ TYR A 206 0.648 14.719 -3.248 1.00 0.05 C +ATOM 1628 N MET A 207 4.777 13.000 -0.394 1.00 7.89 N +ATOM 1629 CA MET A 207 4.258 11.656 -0.145 1.00 7.89 C +ATOM 1630 C MET A 207 4.199 11.367 1.351 1.00 7.89 C +ATOM 1631 CB MET A 207 5.121 10.609 -0.848 1.00 7.89 C +ATOM 1632 O MET A 207 3.205 10.828 1.845 1.00 7.89 O +ATOM 1633 CG MET A 207 4.871 10.508 -2.344 1.00 7.89 C +ATOM 1634 SD MET A 207 3.270 9.703 -2.736 1.00 7.89 S +ATOM 1635 CE MET A 207 3.727 7.961 -2.512 1.00 7.89 C +ATOM 1636 N PHE A 208 5.199 11.750 1.992 1.00 28.52 N +ATOM 1637 CA PHE A 208 5.277 11.453 3.420 1.00 28.52 C +ATOM 1638 C PHE A 208 4.227 12.250 4.191 1.00 28.52 C +ATOM 1639 CB PHE A 208 6.676 11.773 3.957 1.00 28.52 C +ATOM 1640 O PHE A 208 3.469 11.680 4.980 1.00 28.52 O +ATOM 1641 CG PHE A 208 6.879 11.375 5.395 1.00 28.52 C +ATOM 1642 CD1 PHE A 208 6.840 12.328 6.406 1.00 28.52 C +ATOM 1643 CD2 PHE A 208 7.105 10.055 5.734 1.00 28.52 C +ATOM 1644 CE1 PHE A 208 7.027 11.961 7.738 1.00 28.52 C +ATOM 1645 CE2 PHE A 208 7.293 9.680 7.062 1.00 28.52 C +ATOM 1646 CZ PHE A 208 7.254 10.633 8.062 1.00 28.52 C +ATOM 1647 N PHE A 209 4.055 13.484 4.008 1.00 0.16 N +ATOM 1648 CA PHE A 209 3.195 14.336 4.820 1.00 0.16 C +ATOM 1649 C PHE A 209 1.747 14.250 4.352 1.00 0.16 C +ATOM 1650 CB PHE A 209 3.680 15.789 4.777 1.00 0.16 C +ATOM 1651 O PHE A 209 0.824 14.234 5.168 1.00 0.16 O +ATOM 1652 CG PHE A 209 4.883 16.047 5.641 1.00 0.16 C +ATOM 1653 CD1 PHE A 209 4.781 16.031 7.027 1.00 0.16 C +ATOM 1654 CD2 PHE A 209 6.121 16.312 5.066 1.00 0.16 C +ATOM 1655 CE1 PHE A 209 5.895 16.281 7.828 1.00 0.16 C +ATOM 1656 CE2 PHE A 209 7.238 16.562 5.859 1.00 0.16 C +ATOM 1657 CZ PHE A 209 7.121 16.547 7.242 1.00 0.16 C +ATOM 1658 N CYS A 210 1.558 14.062 3.129 1.00 0.22 N +ATOM 1659 CA CYS A 210 0.196 14.078 2.605 1.00 0.22 C +ATOM 1660 C CYS A 210 -0.390 12.672 2.582 1.00 0.22 C +ATOM 1661 CB CYS A 210 0.167 14.672 1.199 1.00 0.22 C +ATOM 1662 O CYS A 210 -1.549 12.469 2.947 1.00 0.22 O +ATOM 1663 SG CYS A 210 -1.499 14.945 0.558 1.00 0.22 S +ATOM 1664 N HIS A 211 0.366 11.695 2.246 1.00 9.74 N +ATOM 1665 CA HIS A 211 -0.200 10.383 1.949 1.00 9.74 C +ATOM 1666 C HIS A 211 0.124 9.383 3.051 1.00 9.74 C +ATOM 1667 CB HIS A 211 0.315 9.875 0.603 1.00 9.74 C +ATOM 1668 O HIS A 211 -0.503 8.320 3.135 1.00 9.74 O +ATOM 1669 CG HIS A 211 -0.257 10.602 -0.574 1.00 9.74 C +ATOM 1670 CD2 HIS A 211 0.248 11.602 -1.331 1.00 9.74 C +ATOM 1671 ND1 HIS A 211 -1.502 10.312 -1.092 1.00 9.74 N +ATOM 1672 CE1 HIS A 211 -1.738 11.109 -2.119 1.00 9.74 C +ATOM 1673 NE2 HIS A 211 -0.692 11.898 -2.287 1.00 9.74 N +ATOM 1674 N PHE A 212 1.015 9.758 3.877 1.00 0.09 N +ATOM 1675 CA PHE A 212 1.281 8.883 5.016 1.00 0.09 C +ATOM 1676 C PHE A 212 0.796 9.516 6.312 1.00 0.09 C +ATOM 1677 CB PHE A 212 2.777 8.562 5.109 1.00 0.09 C +ATOM 1678 O PHE A 212 -0.050 8.953 7.008 1.00 0.09 O +ATOM 1679 CG PHE A 212 3.135 7.672 6.270 1.00 0.09 C +ATOM 1680 CD1 PHE A 212 3.861 8.164 7.348 1.00 0.09 C +ATOM 1681 CD2 PHE A 212 2.744 6.340 6.281 1.00 0.09 C +ATOM 1682 CE1 PHE A 212 4.191 7.340 8.422 1.00 0.09 C +ATOM 1683 CE2 PHE A 212 3.072 5.508 7.348 1.00 0.09 C +ATOM 1684 CZ PHE A 212 3.797 6.012 8.414 1.00 0.09 C +ATOM 1685 N MET A 213 1.230 10.742 6.707 1.00 2.09 N +ATOM 1686 CA MET A 213 0.953 11.375 7.992 1.00 2.09 C +ATOM 1687 C MET A 213 -0.523 11.742 8.109 1.00 2.09 C +ATOM 1688 CB MET A 213 1.818 12.617 8.180 1.00 2.09 C +ATOM 1689 O MET A 213 -1.152 11.477 9.133 1.00 2.09 O +ATOM 1690 CG MET A 213 3.270 12.312 8.508 1.00 2.09 C +ATOM 1691 SD MET A 213 3.449 11.344 10.055 1.00 2.09 S +ATOM 1692 CE MET A 213 5.121 10.680 9.828 1.00 2.09 C +ATOM 1693 N VAL A 214 -1.055 12.344 7.082 1.00 0.93 N +ATOM 1694 CA VAL A 214 -2.441 12.789 7.129 1.00 0.93 C +ATOM 1695 C VAL A 214 -3.365 11.594 7.348 1.00 0.93 C +ATOM 1696 CB VAL A 214 -2.840 13.539 5.840 1.00 0.93 C +ATOM 1697 O VAL A 214 -4.207 11.602 8.250 1.00 0.93 O +ATOM 1698 CG1 VAL A 214 -4.355 13.719 5.766 1.00 0.93 C +ATOM 1699 CG2 VAL A 214 -2.135 14.898 5.773 1.00 0.93 C +ATOM 1700 N PRO A 215 -3.297 10.547 6.527 1.00 0.00 N +ATOM 1701 CA PRO A 215 -4.152 9.391 6.797 1.00 0.00 C +ATOM 1702 C PRO A 215 -3.924 8.797 8.188 1.00 0.00 C +ATOM 1703 CB PRO A 215 -3.750 8.391 5.707 1.00 0.00 C +ATOM 1704 O PRO A 215 -4.879 8.391 8.852 1.00 0.00 O +ATOM 1705 CG PRO A 215 -3.266 9.234 4.574 1.00 0.00 C +ATOM 1706 CD PRO A 215 -2.559 10.430 5.141 1.00 0.00 C +ATOM 1707 N LEU A 216 -2.695 8.742 8.539 1.00 0.00 N +ATOM 1708 CA LEU A 216 -2.371 8.227 9.867 1.00 0.00 C +ATOM 1709 C LEU A 216 -3.070 9.039 10.953 1.00 0.00 C +ATOM 1710 CB LEU A 216 -0.858 8.250 10.094 1.00 0.00 C +ATOM 1711 O LEU A 216 -3.686 8.477 11.859 1.00 0.00 O +ATOM 1712 CG LEU A 216 -0.360 7.629 11.398 1.00 0.00 C +ATOM 1713 CD1 LEU A 216 -0.610 6.125 11.398 1.00 0.00 C +ATOM 1714 CD2 LEU A 216 1.121 7.930 11.602 1.00 0.00 C +ATOM 1715 N ILE A 217 -3.016 10.297 10.898 1.00 0.65 N +ATOM 1716 CA ILE A 217 -3.625 11.203 11.867 1.00 0.65 C +ATOM 1717 C ILE A 217 -5.145 11.031 11.852 1.00 0.65 C +ATOM 1718 CB ILE A 217 -3.246 12.672 11.594 1.00 0.65 C +ATOM 1719 O ILE A 217 -5.781 10.953 12.898 1.00 0.65 O +ATOM 1720 CG1 ILE A 217 -1.768 12.914 11.922 1.00 0.65 C +ATOM 1721 CG2 ILE A 217 -4.145 13.617 12.391 1.00 0.65 C +ATOM 1722 CD1 ILE A 217 -1.229 14.242 11.414 1.00 0.65 C +ATOM 1723 N ILE A 218 -5.691 10.945 10.664 1.00 0.03 N +ATOM 1724 CA ILE A 218 -7.129 10.773 10.516 1.00 0.03 C +ATOM 1725 C ILE A 218 -7.570 9.469 11.180 1.00 0.03 C +ATOM 1726 CB ILE A 218 -7.547 10.773 9.023 1.00 0.03 C +ATOM 1727 O ILE A 218 -8.539 9.453 11.945 1.00 0.03 O +ATOM 1728 CG1 ILE A 218 -7.426 12.188 8.438 1.00 0.03 C +ATOM 1729 CG2 ILE A 218 -8.969 10.234 8.859 1.00 0.03 C +ATOM 1730 CD1 ILE A 218 -7.629 12.258 6.934 1.00 0.03 C +ATOM 1731 N ILE A 219 -6.848 8.453 10.945 1.00 0.55 N +ATOM 1732 CA ILE A 219 -7.215 7.133 11.453 1.00 0.55 C +ATOM 1733 C ILE A 219 -7.148 7.133 12.977 1.00 0.55 C +ATOM 1734 CB ILE A 219 -6.297 6.031 10.883 1.00 0.55 C +ATOM 1735 O ILE A 219 -8.086 6.699 13.648 1.00 0.55 O +ATOM 1736 CG1 ILE A 219 -6.621 5.785 9.398 1.00 0.55 C +ATOM 1737 CG2 ILE A 219 -6.434 4.738 11.688 1.00 0.55 C +ATOM 1738 CD1 ILE A 219 -5.645 4.852 8.703 1.00 0.55 C +ATOM 1739 N PHE A 220 -6.105 7.664 13.492 1.00 0.15 N +ATOM 1740 CA PHE A 220 -5.930 7.668 14.938 1.00 0.15 C +ATOM 1741 C PHE A 220 -6.953 8.578 15.609 1.00 0.15 C +ATOM 1742 CB PHE A 220 -4.512 8.109 15.305 1.00 0.15 C +ATOM 1743 O PHE A 220 -7.527 8.219 16.641 1.00 0.15 O +ATOM 1744 CG PHE A 220 -3.510 6.988 15.344 1.00 0.15 C +ATOM 1745 CD1 PHE A 220 -3.361 6.207 16.484 1.00 0.15 C +ATOM 1746 CD2 PHE A 220 -2.719 6.711 14.234 1.00 0.15 C +ATOM 1747 CE1 PHE A 220 -2.438 5.168 16.516 1.00 0.15 C +ATOM 1748 CE2 PHE A 220 -1.793 5.672 14.266 1.00 0.15 C +ATOM 1749 CZ PHE A 220 -1.652 4.902 15.406 1.00 0.15 C +ATOM 1750 N PHE A 221 -7.105 9.695 15.023 1.00 0.05 N +ATOM 1751 CA PHE A 221 -8.070 10.633 15.586 1.00 0.05 C +ATOM 1752 C PHE A 221 -9.477 10.047 15.555 1.00 0.05 C +ATOM 1753 CB PHE A 221 -8.039 11.961 14.820 1.00 0.05 C +ATOM 1754 O PHE A 221 -10.180 10.039 16.562 1.00 0.05 O +ATOM 1755 CG PHE A 221 -9.109 12.930 15.234 1.00 0.05 C +ATOM 1756 CD1 PHE A 221 -10.258 13.086 14.477 1.00 0.05 C +ATOM 1757 CD2 PHE A 221 -8.969 13.688 16.391 1.00 0.05 C +ATOM 1758 CE1 PHE A 221 -11.258 13.984 14.859 1.00 0.05 C +ATOM 1759 CE2 PHE A 221 -9.953 14.586 16.781 1.00 0.05 C +ATOM 1760 CZ PHE A 221 -11.102 14.734 16.016 1.00 0.05 C +ATOM 1761 N CYS A 222 -9.961 9.555 14.453 1.00 0.00 N +ATOM 1762 CA CYS A 222 -11.320 9.062 14.273 1.00 0.00 C +ATOM 1763 C CYS A 222 -11.570 7.836 15.141 1.00 0.00 C +ATOM 1764 CB CYS A 222 -11.570 8.719 12.805 1.00 0.00 C +ATOM 1765 O CYS A 222 -12.578 7.766 15.844 1.00 0.00 O +ATOM 1766 SG CYS A 222 -11.656 10.156 11.719 1.00 0.00 S +ATOM 1767 N TYR A 223 -10.703 6.930 15.094 1.00 0.00 N +ATOM 1768 CA TYR A 223 -10.898 5.715 15.875 1.00 0.00 C +ATOM 1769 C TYR A 223 -10.750 5.996 17.359 1.00 0.00 C +ATOM 1770 CB TYR A 223 -9.898 4.637 15.453 1.00 0.00 C +ATOM 1771 O TYR A 223 -11.383 5.336 18.188 1.00 0.00 O +ATOM 1772 CG TYR A 223 -10.336 3.840 14.242 1.00 0.00 C +ATOM 1773 CD1 TYR A 223 -11.688 3.613 13.992 1.00 0.00 C +ATOM 1774 CD2 TYR A 223 -9.406 3.311 13.359 1.00 0.00 C +ATOM 1775 CE1 TYR A 223 -12.102 2.877 12.891 1.00 0.00 C +ATOM 1776 CE2 TYR A 223 -9.805 2.574 12.250 1.00 0.00 C +ATOM 1777 OH TYR A 223 -11.555 1.634 10.922 1.00 0.00 O +ATOM 1778 CZ TYR A 223 -11.148 2.363 12.023 1.00 0.00 C +ATOM 1779 N GLY A 224 -9.812 6.914 17.703 1.00 0.79 N +ATOM 1780 CA GLY A 224 -9.727 7.352 19.078 1.00 0.79 C +ATOM 1781 C GLY A 224 -11.031 7.902 19.609 1.00 0.79 C +ATOM 1782 O GLY A 224 -11.469 7.527 20.703 1.00 0.79 O +ATOM 1783 N ARG A 225 -11.641 8.711 18.891 1.00 0.00 N +ATOM 1784 CA ARG A 225 -12.922 9.289 19.297 1.00 0.00 C +ATOM 1785 C ARG A 225 -14.016 8.227 19.328 1.00 0.00 C +ATOM 1786 CB ARG A 225 -13.320 10.414 18.328 1.00 0.00 C +ATOM 1787 O ARG A 225 -14.891 8.250 20.203 1.00 0.00 O +ATOM 1788 CG ARG A 225 -12.406 11.625 18.391 1.00 0.00 C +ATOM 1789 CD ARG A 225 -12.430 12.281 19.766 1.00 0.00 C +ATOM 1790 NE ARG A 225 -13.703 12.969 20.016 1.00 0.00 N +ATOM 1791 NH1 ARG A 225 -13.117 13.742 22.109 1.00 0.00 N +ATOM 1792 NH2 ARG A 225 -15.180 14.234 21.234 1.00 0.00 N +ATOM 1793 CZ ARG A 225 -13.992 13.648 21.109 1.00 0.00 C +ATOM 1794 N LEU A 226 -13.953 7.391 18.359 1.00 0.00 N +ATOM 1795 CA LEU A 226 -14.906 6.289 18.312 1.00 0.00 C +ATOM 1796 C LEU A 226 -14.836 5.445 19.578 1.00 0.00 C +ATOM 1797 CB LEU A 226 -14.641 5.410 17.078 1.00 0.00 C +ATOM 1798 O LEU A 226 -15.859 5.125 20.172 1.00 0.00 O +ATOM 1799 CG LEU A 226 -15.555 4.195 16.906 1.00 0.00 C +ATOM 1800 CD1 LEU A 226 -17.016 4.641 16.812 1.00 0.00 C +ATOM 1801 CD2 LEU A 226 -15.156 3.398 15.672 1.00 0.00 C +ATOM 1802 N LEU A 227 -13.672 5.172 19.984 1.00 0.06 N +ATOM 1803 CA LEU A 227 -13.484 4.352 21.172 1.00 0.06 C +ATOM 1804 C LEU A 227 -13.969 5.086 22.422 1.00 0.06 C +ATOM 1805 CB LEU A 227 -12.008 3.973 21.328 1.00 0.06 C +ATOM 1806 O LEU A 227 -14.578 4.477 23.312 1.00 0.06 O +ATOM 1807 CG LEU A 227 -11.469 2.926 20.359 1.00 0.06 C +ATOM 1808 CD1 LEU A 227 -9.969 2.730 20.562 1.00 0.06 C +ATOM 1809 CD2 LEU A 227 -12.211 1.605 20.531 1.00 0.06 C +ATOM 1810 N CYS A 228 -13.695 6.305 22.453 1.00 5.57 N +ATOM 1811 CA CYS A 228 -14.172 7.102 23.578 1.00 5.57 C +ATOM 1812 C CYS A 228 -15.695 7.098 23.656 1.00 5.57 C +ATOM 1813 CB CYS A 228 -13.664 8.539 23.469 1.00 5.57 C +ATOM 1814 O CYS A 228 -16.266 6.914 24.719 1.00 5.57 O +ATOM 1815 SG CYS A 228 -11.883 8.703 23.719 1.00 5.57 S +ATOM 1816 N ALA A 229 -16.297 7.242 22.578 1.00 0.00 N +ATOM 1817 CA ALA A 229 -17.750 7.328 22.500 1.00 0.00 C +ATOM 1818 C ALA A 229 -18.391 5.996 22.875 1.00 0.00 C +ATOM 1819 CB ALA A 229 -18.188 7.758 21.109 1.00 0.00 C +ATOM 1820 O ALA A 229 -19.375 5.961 23.625 1.00 0.00 O +ATOM 1821 N VAL A 230 -17.844 4.918 22.391 1.00 0.00 N +ATOM 1822 CA VAL A 230 -18.438 3.609 22.625 1.00 0.00 C +ATOM 1823 C VAL A 230 -18.234 3.207 24.078 1.00 0.00 C +ATOM 1824 CB VAL A 230 -17.844 2.535 21.688 1.00 0.00 C +ATOM 1825 O VAL A 230 -19.094 2.543 24.672 1.00 0.00 O +ATOM 1826 CG1 VAL A 230 -18.375 2.713 20.266 1.00 0.00 C +ATOM 1827 CG2 VAL A 230 -16.328 2.592 21.703 1.00 0.00 C +ATOM 1828 N LYS A 231 -17.094 3.643 24.672 1.00 0.05 N +ATOM 1829 CA LYS A 231 -16.828 3.359 26.078 1.00 0.05 C +ATOM 1830 C LYS A 231 -17.781 4.148 26.984 1.00 0.05 C +ATOM 1831 CB LYS A 231 -15.383 3.680 26.422 1.00 0.05 C +ATOM 1832 O LYS A 231 -18.250 3.629 27.984 1.00 0.05 O +ATOM 1833 CG LYS A 231 -14.375 2.662 25.906 1.00 0.05 C +ATOM 1834 CD LYS A 231 -12.969 2.967 26.391 1.00 0.05 C +ATOM 1835 CE LYS A 231 -12.000 1.848 26.031 1.00 0.05 C +ATOM 1836 NZ LYS A 231 -10.617 2.131 26.531 1.00 0.05 N +ATOM 1837 N GLU A 232 -18.000 5.340 26.641 1.00 0.21 N +ATOM 1838 CA GLU A 232 -18.938 6.180 27.375 1.00 0.21 C +ATOM 1839 C GLU A 232 -20.344 5.613 27.328 1.00 0.21 C +ATOM 1840 CB GLU A 232 -18.906 7.613 26.844 1.00 0.21 C +ATOM 1841 O GLU A 232 -21.062 5.613 28.328 1.00 0.21 O +ATOM 1842 CG GLU A 232 -17.641 8.375 27.172 1.00 0.21 C +ATOM 1843 CD GLU A 232 -17.609 9.781 26.594 1.00 0.21 C +ATOM 1844 OE1 GLU A 232 -16.609 10.500 26.781 1.00 0.21 O +ATOM 1845 OE2 GLU A 232 -18.609 10.172 25.953 1.00 0.21 O +ATOM 1846 N ALA A 233 -20.766 5.188 26.141 1.00 0.18 N +ATOM 1847 CA ALA A 233 -22.078 4.590 25.969 1.00 0.18 C +ATOM 1848 C ALA A 233 -22.219 3.309 26.781 1.00 0.18 C +ATOM 1849 CB ALA A 233 -22.344 4.309 24.484 1.00 0.18 C +ATOM 1850 O ALA A 233 -23.266 3.064 27.391 1.00 0.18 O +ATOM 1851 N ALA A 234 -21.156 2.527 26.844 1.00 0.00 N +ATOM 1852 CA ALA A 234 -21.156 1.285 27.609 1.00 0.00 C +ATOM 1853 C ALA A 234 -21.234 1.565 29.109 1.00 0.00 C +ATOM 1854 CB ALA A 234 -19.922 0.460 27.281 1.00 0.00 C +ATOM 1855 O ALA A 234 -21.906 0.843 29.859 1.00 0.00 O +ATOM 1856 N ALA A 235 -20.531 2.590 29.484 1.00 0.41 N +ATOM 1857 CA ALA A 235 -20.531 2.975 30.891 1.00 0.41 C +ATOM 1858 C ALA A 235 -21.906 3.469 31.328 1.00 0.41 C +ATOM 1859 CB ALA A 235 -19.469 4.047 31.141 1.00 0.41 C +ATOM 1860 O ALA A 235 -22.328 3.217 32.469 1.00 0.41 O +ATOM 1861 N ALA A 236 -22.578 4.145 30.453 1.00 0.88 N +ATOM 1862 CA ALA A 236 -23.906 4.703 30.734 1.00 0.88 C +ATOM 1863 C ALA A 236 -24.969 3.613 30.750 1.00 0.88 C +ATOM 1864 CB ALA A 236 -24.250 5.789 29.719 1.00 0.88 C +ATOM 1865 O ALA A 236 -26.000 3.748 31.406 1.00 0.88 O +ATOM 1866 N GLN A 237 -24.734 2.545 30.000 1.00 0.00 N +ATOM 1867 CA GLN A 237 -25.688 1.440 29.875 1.00 0.00 C +ATOM 1868 C GLN A 237 -25.062 0.130 30.344 1.00 0.00 C +ATOM 1869 CB GLN A 237 -26.188 1.304 28.438 1.00 0.00 C +ATOM 1870 O GLN A 237 -24.953 -0.823 29.578 1.00 0.00 O +ATOM 1871 CG GLN A 237 -26.953 2.514 27.938 1.00 0.00 C +ATOM 1872 CD GLN A 237 -27.531 2.311 26.547 1.00 0.00 C +ATOM 1873 NE2 GLN A 237 -28.844 2.193 26.453 1.00 0.00 N +ATOM 1874 OE1 GLN A 237 -26.781 2.260 25.562 1.00 0.00 O +ATOM 1875 N GLN A 238 -24.734 0.060 31.625 1.00 4.31 N +ATOM 1876 CA GLN A 238 -23.969 -1.062 32.156 1.00 4.31 C +ATOM 1877 C GLN A 238 -24.828 -2.326 32.219 1.00 4.31 C +ATOM 1878 CB GLN A 238 -23.438 -0.725 33.562 1.00 4.31 C +ATOM 1879 O GLN A 238 -24.297 -3.439 32.125 1.00 4.31 O +ATOM 1880 CG GLN A 238 -22.312 0.298 33.562 1.00 4.31 C +ATOM 1881 CD GLN A 238 -21.719 0.545 34.938 1.00 4.31 C +ATOM 1882 NE2 GLN A 238 -20.422 0.797 35.000 1.00 4.31 N +ATOM 1883 OE1 GLN A 238 -22.438 0.510 35.938 1.00 4.31 O +ATOM 1884 N GLU A 239 -26.109 -2.113 32.188 1.00 0.01 N +ATOM 1885 CA GLU A 239 -26.984 -3.271 32.344 1.00 0.01 C +ATOM 1886 C GLU A 239 -27.312 -3.883 30.969 1.00 0.01 C +ATOM 1887 CB GLU A 239 -28.281 -2.883 33.062 1.00 0.01 C +ATOM 1888 O GLU A 239 -27.828 -5.004 30.891 1.00 0.01 O +ATOM 1889 CG GLU A 239 -28.062 -2.467 34.500 1.00 0.01 C +ATOM 1890 CD GLU A 239 -29.359 -2.152 35.219 1.00 0.01 C +ATOM 1891 OE1 GLU A 239 -29.328 -1.927 36.469 1.00 0.01 O +ATOM 1892 OE2 GLU A 239 -30.422 -2.135 34.562 1.00 0.01 O +ATOM 1893 N SER A 240 -27.000 -3.141 29.938 1.00 0.07 N +ATOM 1894 CA SER A 240 -27.312 -3.613 28.594 1.00 0.07 C +ATOM 1895 C SER A 240 -26.188 -4.500 28.047 1.00 0.07 C +ATOM 1896 CB SER A 240 -27.531 -2.432 27.656 1.00 0.07 C +ATOM 1897 O SER A 240 -25.094 -4.023 27.781 1.00 0.07 O +ATOM 1898 OG SER A 240 -27.797 -2.885 26.328 1.00 0.07 O +ATOM 1899 N GLU A 241 -26.438 -5.793 27.984 1.00 0.07 N +ATOM 1900 CA GLU A 241 -25.484 -6.766 27.469 1.00 0.07 C +ATOM 1901 C GLU A 241 -25.141 -6.480 26.016 1.00 0.07 C +ATOM 1902 CB GLU A 241 -26.031 -8.188 27.609 1.00 0.07 C +ATOM 1903 O GLU A 241 -24.000 -6.645 25.594 1.00 0.07 O +ATOM 1904 CG GLU A 241 -26.047 -8.695 29.047 1.00 0.07 C +ATOM 1905 CD GLU A 241 -26.562 -10.117 29.172 1.00 0.07 C +ATOM 1906 OE1 GLU A 241 -26.562 -10.672 30.297 1.00 0.07 O +ATOM 1907 OE2 GLU A 241 -26.984 -10.688 28.141 1.00 0.07 O +ATOM 1908 N THR A 242 -26.172 -6.039 25.266 1.00 0.24 N +ATOM 1909 CA THR A 242 -25.984 -5.754 23.859 1.00 0.24 C +ATOM 1910 C THR A 242 -25.000 -4.598 23.656 1.00 0.24 C +ATOM 1911 CB THR A 242 -27.328 -5.422 23.172 1.00 0.24 C +ATOM 1912 O THR A 242 -24.156 -4.645 22.766 1.00 0.24 O +ATOM 1913 CG2 THR A 242 -28.250 -6.633 23.156 1.00 0.24 C +ATOM 1914 OG1 THR A 242 -27.953 -4.352 23.875 1.00 0.24 O +ATOM 1915 N THR A 243 -25.156 -3.574 24.453 1.00 0.01 N +ATOM 1916 CA THR A 243 -24.281 -2.412 24.391 1.00 0.01 C +ATOM 1917 C THR A 243 -22.844 -2.785 24.766 1.00 0.01 C +ATOM 1918 CB THR A 243 -24.781 -1.276 25.297 1.00 0.01 C +ATOM 1919 O THR A 243 -21.891 -2.326 24.141 1.00 0.01 O +ATOM 1920 CG2 THR A 243 -23.891 -0.039 25.172 1.00 0.01 C +ATOM 1921 OG1 THR A 243 -26.125 -0.933 24.938 1.00 0.01 O +ATOM 1922 N GLN A 244 -22.672 -3.639 25.719 1.00 0.00 N +ATOM 1923 CA GLN A 244 -21.344 -4.074 26.156 1.00 0.00 C +ATOM 1924 C GLN A 244 -20.656 -4.910 25.078 1.00 0.00 C +ATOM 1925 CB GLN A 244 -21.438 -4.867 27.469 1.00 0.00 C +ATOM 1926 O GLN A 244 -19.469 -4.770 24.844 1.00 0.00 O +ATOM 1927 CG GLN A 244 -21.875 -4.035 28.656 1.00 0.00 C +ATOM 1928 CD GLN A 244 -20.891 -2.928 29.000 1.00 0.00 C +ATOM 1929 NE2 GLN A 244 -21.406 -1.712 29.156 1.00 0.00 N +ATOM 1930 OE1 GLN A 244 -19.688 -3.164 29.109 1.00 0.00 O +ATOM 1931 N ARG A 245 -21.453 -5.750 24.500 1.00 0.40 N +ATOM 1932 CA ARG A 245 -20.938 -6.590 23.422 1.00 0.40 C +ATOM 1933 C ARG A 245 -20.500 -5.746 22.234 1.00 0.40 C +ATOM 1934 CB ARG A 245 -22.000 -7.605 22.984 1.00 0.40 C +ATOM 1935 O ARG A 245 -19.453 -6.000 21.641 1.00 0.40 O +ATOM 1936 CG ARG A 245 -21.500 -8.602 21.953 1.00 0.40 C +ATOM 1937 CD ARG A 245 -22.578 -9.633 21.594 1.00 0.40 C +ATOM 1938 NE ARG A 245 -22.109 -10.547 20.562 1.00 0.40 N +ATOM 1939 NH1 ARG A 245 -24.078 -11.758 20.484 1.00 0.40 N +ATOM 1940 NH2 ARG A 245 -22.328 -12.312 19.109 1.00 0.40 N +ATOM 1941 CZ ARG A 245 -22.844 -11.539 20.047 1.00 0.40 C +ATOM 1942 N ALA A 246 -21.359 -4.812 21.891 1.00 0.00 N +ATOM 1943 CA ALA A 246 -21.031 -3.912 20.797 1.00 0.00 C +ATOM 1944 C ALA A 246 -19.734 -3.158 21.062 1.00 0.00 C +ATOM 1945 CB ALA A 246 -22.172 -2.928 20.547 1.00 0.00 C +ATOM 1946 O ALA A 246 -18.906 -2.992 20.172 1.00 0.00 O +ATOM 1947 N GLU A 247 -19.625 -2.695 22.266 1.00 0.00 N +ATOM 1948 CA GLU A 247 -18.391 -2.012 22.656 1.00 0.00 C +ATOM 1949 C GLU A 247 -17.172 -2.908 22.453 1.00 0.00 C +ATOM 1950 CB GLU A 247 -18.469 -1.550 24.109 1.00 0.00 C +ATOM 1951 O GLU A 247 -16.156 -2.471 21.922 1.00 0.00 O +ATOM 1952 CG GLU A 247 -17.281 -0.721 24.562 1.00 0.00 C +ATOM 1953 CD GLU A 247 -16.125 -1.563 25.078 1.00 0.00 C +ATOM 1954 OE1 GLU A 247 -14.977 -1.055 25.141 1.00 0.00 O +ATOM 1955 OE2 GLU A 247 -16.359 -2.742 25.422 1.00 0.00 O +ATOM 1956 N ARG A 248 -17.188 -4.121 22.891 1.00 0.19 N +ATOM 1957 CA ARG A 248 -16.078 -5.059 22.766 1.00 0.19 C +ATOM 1958 C ARG A 248 -15.766 -5.336 21.297 1.00 0.19 C +ATOM 1959 CB ARG A 248 -16.391 -6.367 23.500 1.00 0.19 C +ATOM 1960 O ARG A 248 -14.594 -5.387 20.906 1.00 0.19 O +ATOM 1961 CG ARG A 248 -16.328 -6.262 25.000 1.00 0.19 C +ATOM 1962 CD ARG A 248 -16.625 -7.594 25.672 1.00 0.19 C +ATOM 1963 NE ARG A 248 -16.953 -7.426 27.094 1.00 0.19 N +ATOM 1964 NH1 ARG A 248 -17.656 -9.609 27.391 1.00 0.19 N +ATOM 1965 NH2 ARG A 248 -17.719 -8.125 29.141 1.00 0.19 N +ATOM 1966 CZ ARG A 248 -17.453 -8.383 27.875 1.00 0.19 C +ATOM 1967 N GLU A 249 -16.781 -5.461 20.531 1.00 0.00 N +ATOM 1968 CA GLU A 249 -16.594 -5.770 19.125 1.00 0.00 C +ATOM 1969 C GLU A 249 -15.953 -4.602 18.375 1.00 0.00 C +ATOM 1970 CB GLU A 249 -17.938 -6.121 18.469 1.00 0.00 C +ATOM 1971 O GLU A 249 -15.039 -4.805 17.578 1.00 0.00 O +ATOM 1972 CG GLU A 249 -18.469 -7.496 18.859 1.00 0.00 C +ATOM 1973 CD GLU A 249 -19.797 -7.844 18.188 1.00 0.00 C +ATOM 1974 OE1 GLU A 249 -20.297 -8.977 18.375 1.00 0.00 O +ATOM 1975 OE2 GLU A 249 -20.328 -6.977 17.469 1.00 0.00 O +ATOM 1976 N VAL A 250 -16.469 -3.457 18.719 1.00 0.00 N +ATOM 1977 CA VAL A 250 -15.945 -2.270 18.047 1.00 0.00 C +ATOM 1978 C VAL A 250 -14.500 -2.045 18.469 1.00 0.00 C +ATOM 1979 CB VAL A 250 -16.797 -1.019 18.375 1.00 0.00 C +ATOM 1980 O VAL A 250 -13.648 -1.727 17.641 1.00 0.00 O +ATOM 1981 CG1 VAL A 250 -16.109 0.244 17.859 1.00 0.00 C +ATOM 1982 CG2 VAL A 250 -18.203 -1.155 17.781 1.00 0.00 C +ATOM 1983 N THR A 251 -14.242 -2.229 19.734 1.00 0.00 N +ATOM 1984 CA THR A 251 -12.883 -2.066 20.250 1.00 0.00 C +ATOM 1985 C THR A 251 -11.930 -3.049 19.562 1.00 0.00 C +ATOM 1986 CB THR A 251 -12.836 -2.270 21.766 1.00 0.00 C +ATOM 1987 O THR A 251 -10.836 -2.668 19.141 1.00 0.00 O +ATOM 1988 CG2 THR A 251 -11.414 -2.127 22.297 1.00 0.00 C +ATOM 1989 OG1 THR A 251 -13.664 -1.291 22.406 1.00 0.00 O +ATOM 1990 N ARG A 252 -12.344 -4.258 19.469 1.00 0.60 N +ATOM 1991 CA ARG A 252 -11.547 -5.285 18.797 1.00 0.60 C +ATOM 1992 C ARG A 252 -11.297 -4.922 17.344 1.00 0.60 C +ATOM 1993 CB ARG A 252 -12.242 -6.645 18.891 1.00 0.60 C +ATOM 1994 O ARG A 252 -10.172 -5.043 16.844 1.00 0.60 O +ATOM 1995 CG ARG A 252 -11.438 -7.789 18.297 1.00 0.60 C +ATOM 1996 CD ARG A 252 -12.117 -9.133 18.516 1.00 0.60 C +ATOM 1997 NE ARG A 252 -13.406 -9.203 17.828 1.00 0.60 N +ATOM 1998 NH1 ARG A 252 -13.906 -11.344 18.547 1.00 0.60 N +ATOM 1999 NH2 ARG A 252 -15.367 -10.211 17.188 1.00 0.60 N +ATOM 2000 CZ ARG A 252 -14.227 -10.250 17.859 1.00 0.60 C +ATOM 2001 N MET A 253 -12.297 -4.496 16.688 1.00 0.28 N +ATOM 2002 CA MET A 253 -12.203 -4.105 15.281 1.00 0.28 C +ATOM 2003 C MET A 253 -11.219 -2.961 15.102 1.00 0.28 C +ATOM 2004 CB MET A 253 -13.578 -3.705 14.742 1.00 0.28 C +ATOM 2005 O MET A 253 -10.359 -3.006 14.211 1.00 0.28 O +ATOM 2006 CG MET A 253 -13.562 -3.283 13.281 1.00 0.28 C +ATOM 2007 SD MET A 253 -15.078 -2.359 12.805 1.00 0.28 S +ATOM 2008 CE MET A 253 -14.625 -0.696 13.375 1.00 0.28 C +ATOM 2009 N VAL A 254 -11.305 -1.971 15.922 1.00 0.00 N +ATOM 2010 CA VAL A 254 -10.453 -0.790 15.836 1.00 0.00 C +ATOM 2011 C VAL A 254 -8.992 -1.187 16.078 1.00 0.00 C +ATOM 2012 CB VAL A 254 -10.883 0.296 16.844 1.00 0.00 C +ATOM 2013 O VAL A 254 -8.102 -0.781 15.320 1.00 0.00 O +ATOM 2014 CG1 VAL A 254 -9.805 1.378 16.969 1.00 0.00 C +ATOM 2015 CG2 VAL A 254 -12.219 0.907 16.438 1.00 0.00 C +ATOM 2016 N ILE A 255 -8.750 -2.000 17.062 1.00 0.12 N +ATOM 2017 CA ILE A 255 -7.395 -2.432 17.391 1.00 0.12 C +ATOM 2018 C ILE A 255 -6.793 -3.197 16.219 1.00 0.12 C +ATOM 2019 CB ILE A 255 -7.379 -3.305 18.672 1.00 0.12 C +ATOM 2020 O ILE A 255 -5.664 -2.926 15.805 1.00 0.12 O +ATOM 2021 CG1 ILE A 255 -7.699 -2.455 19.906 1.00 0.12 C +ATOM 2022 CG2 ILE A 255 -6.027 -4.008 18.828 1.00 0.12 C +ATOM 2023 CD1 ILE A 255 -7.871 -3.264 21.188 1.00 0.12 C +ATOM 2024 N LEU A 256 -7.566 -4.086 15.641 1.00 0.43 N +ATOM 2025 CA LEU A 256 -7.102 -4.906 14.523 1.00 0.43 C +ATOM 2026 C LEU A 256 -6.824 -4.043 13.297 1.00 0.43 C +ATOM 2027 CB LEU A 256 -8.133 -5.984 14.180 1.00 0.43 C +ATOM 2028 O LEU A 256 -5.820 -4.242 12.602 1.00 0.43 O +ATOM 2029 CG LEU A 256 -8.250 -7.148 15.164 1.00 0.43 C +ATOM 2030 CD1 LEU A 256 -9.422 -8.047 14.789 1.00 0.43 C +ATOM 2031 CD2 LEU A 256 -6.949 -7.945 15.203 1.00 0.43 C +ATOM 2032 N MET A 257 -7.582 -3.111 13.055 1.00 0.12 N +ATOM 2033 CA MET A 257 -7.449 -2.254 11.875 1.00 0.12 C +ATOM 2034 C MET A 257 -6.234 -1.339 12.008 1.00 0.12 C +ATOM 2035 CB MET A 257 -8.711 -1.418 11.672 1.00 0.12 C +ATOM 2036 O MET A 257 -5.488 -1.153 11.047 1.00 0.12 O +ATOM 2037 CG MET A 257 -9.898 -2.217 11.156 1.00 0.12 C +ATOM 2038 SD MET A 257 -11.383 -1.173 10.875 1.00 0.12 S +ATOM 2039 CE MET A 257 -10.914 -0.368 9.320 1.00 0.12 C +ATOM 2040 N VAL A 258 -6.031 -0.784 13.234 1.00 0.00 N +ATOM 2041 CA VAL A 258 -4.906 0.113 13.469 1.00 0.00 C +ATOM 2042 C VAL A 258 -3.598 -0.669 13.383 1.00 0.00 C +ATOM 2043 CB VAL A 258 -5.020 0.821 14.836 1.00 0.00 C +ATOM 2044 O VAL A 258 -2.654 -0.243 12.719 1.00 0.00 O +ATOM 2045 CG1 VAL A 258 -3.721 1.550 15.180 1.00 0.00 C +ATOM 2046 CG2 VAL A 258 -6.199 1.793 14.836 1.00 0.00 C +ATOM 2047 N ILE A 259 -3.598 -1.782 14.070 1.00 0.36 N +ATOM 2048 CA ILE A 259 -2.406 -2.623 14.023 1.00 0.36 C +ATOM 2049 C ILE A 259 -2.150 -3.086 12.594 1.00 0.36 C +ATOM 2050 CB ILE A 259 -2.543 -3.842 14.969 1.00 0.36 C +ATOM 2051 O ILE A 259 -1.011 -3.070 12.125 1.00 0.36 O +ATOM 2052 CG1 ILE A 259 -2.484 -3.396 16.438 1.00 0.36 C +ATOM 2053 CG2 ILE A 259 -1.457 -4.879 14.664 1.00 0.36 C +ATOM 2054 CD1 ILE A 259 -2.775 -4.508 17.438 1.00 0.36 C +ATOM 2055 N GLY A 260 -3.209 -3.482 11.945 1.00 0.13 N +ATOM 2056 CA GLY A 260 -3.100 -3.871 10.547 1.00 0.13 C +ATOM 2057 C GLY A 260 -2.521 -2.779 9.672 1.00 0.13 C +ATOM 2058 O GLY A 260 -1.644 -3.041 8.844 1.00 0.13 O +ATOM 2059 N TYR A 261 -2.975 -1.589 9.906 1.00 26.55 N +ATOM 2060 CA TYR A 261 -2.473 -0.440 9.164 1.00 26.55 C +ATOM 2061 C TYR A 261 -0.985 -0.231 9.422 1.00 26.55 C +ATOM 2062 CB TYR A 261 -3.250 0.826 9.539 1.00 26.55 C +ATOM 2063 O TYR A 261 -0.201 -0.078 8.477 1.00 26.55 O +ATOM 2064 CG TYR A 261 -2.789 2.061 8.797 1.00 26.55 C +ATOM 2065 CD1 TYR A 261 -1.807 2.889 9.336 1.00 26.55 C +ATOM 2066 CD2 TYR A 261 -3.338 2.402 7.570 1.00 26.55 C +ATOM 2067 CE1 TYR A 261 -1.381 4.031 8.664 1.00 26.55 C +ATOM 2068 CE2 TYR A 261 -2.922 3.539 6.887 1.00 26.55 C +ATOM 2069 OH TYR A 261 -1.526 5.473 6.766 1.00 26.55 O +ATOM 2070 CZ TYR A 261 -1.943 4.348 7.438 1.00 26.55 C +ATOM 2071 N LEU A 262 -0.569 -0.261 10.617 1.00 0.07 N +ATOM 2072 CA LEU A 262 0.814 -0.002 11.008 1.00 0.07 C +ATOM 2073 C LEU A 262 1.739 -1.096 10.484 1.00 0.07 C +ATOM 2074 CB LEU A 262 0.936 0.098 12.531 1.00 0.07 C +ATOM 2075 O LEU A 262 2.826 -0.806 9.977 1.00 0.07 O +ATOM 2076 CG LEU A 262 0.269 1.310 13.180 1.00 0.07 C +ATOM 2077 CD1 LEU A 262 0.374 1.215 14.703 1.00 0.07 C +ATOM 2078 CD2 LEU A 262 0.897 2.604 12.680 1.00 0.07 C +ATOM 2079 N VAL A 263 1.295 -2.281 10.570 1.00 0.19 N +ATOM 2080 CA VAL A 263 2.107 -3.418 10.148 1.00 0.19 C +ATOM 2081 C VAL A 263 2.283 -3.395 8.633 1.00 0.19 C +ATOM 2082 CB VAL A 263 1.478 -4.758 10.594 1.00 0.19 C +ATOM 2083 O VAL A 263 3.361 -3.705 8.117 1.00 0.19 O +ATOM 2084 CG1 VAL A 263 2.139 -5.930 9.867 1.00 0.19 C +ATOM 2085 CG2 VAL A 263 1.593 -4.926 12.102 1.00 0.19 C +ATOM 2086 N CYS A 264 1.321 -2.895 7.934 1.00 0.08 N +ATOM 2087 CA CYS A 264 1.350 -2.947 6.477 1.00 0.08 C +ATOM 2088 C CYS A 264 2.127 -1.768 5.902 1.00 0.08 C +ATOM 2089 CB CYS A 264 -0.071 -2.955 5.914 1.00 0.08 C +ATOM 2090 O CYS A 264 2.898 -1.929 4.957 1.00 0.08 O +ATOM 2091 SG CYS A 264 -0.945 -4.516 6.168 1.00 0.08 S +ATOM 2092 N TRP A 265 2.057 -0.647 6.512 1.00 2.73 N +ATOM 2093 CA TRP A 265 2.539 0.525 5.793 1.00 2.73 C +ATOM 2094 C TRP A 265 3.707 1.175 6.527 1.00 2.73 C +ATOM 2095 CB TRP A 265 1.411 1.542 5.602 1.00 2.73 C +ATOM 2096 O TRP A 265 4.574 1.792 5.906 1.00 2.73 O +ATOM 2097 CG TRP A 265 0.236 1.012 4.836 1.00 2.73 C +ATOM 2098 CD1 TRP A 265 -0.971 0.623 5.344 1.00 2.73 C +ATOM 2099 CD2 TRP A 265 0.160 0.806 3.420 1.00 2.73 C +ATOM 2100 CE2 TRP A 265 -1.125 0.291 3.141 1.00 2.73 C +ATOM 2101 CE3 TRP A 265 1.055 1.009 2.361 1.00 2.73 C +ATOM 2102 NE1 TRP A 265 -1.795 0.189 4.332 1.00 2.73 N +ATOM 2103 CH2 TRP A 265 -0.643 0.183 0.827 1.00 2.73 C +ATOM 2104 CZ2 TRP A 265 -1.537 -0.024 1.845 1.00 2.73 C +ATOM 2105 CZ3 TRP A 265 0.642 0.694 1.071 1.00 2.73 C +ATOM 2106 N LEU A 266 3.760 1.053 7.820 1.00 0.04 N +ATOM 2107 CA LEU A 266 4.746 1.780 8.609 1.00 0.04 C +ATOM 2108 C LEU A 266 6.160 1.285 8.305 1.00 0.04 C +ATOM 2109 CB LEU A 266 4.453 1.632 10.102 1.00 0.04 C +ATOM 2110 O LEU A 266 7.082 2.088 8.148 1.00 0.04 O +ATOM 2111 CG LEU A 266 5.312 2.473 11.047 1.00 0.04 C +ATOM 2112 CD1 LEU A 266 5.188 3.953 10.703 1.00 0.04 C +ATOM 2113 CD2 LEU A 266 4.910 2.223 12.500 1.00 0.04 C +ATOM 2114 N PRO A 267 6.355 0.024 8.164 1.00 0.00 N +ATOM 2115 CA PRO A 267 7.719 -0.424 7.859 1.00 0.00 C +ATOM 2116 C PRO A 267 8.258 0.156 6.555 1.00 0.00 C +ATOM 2117 CB PRO A 267 7.574 -1.945 7.766 1.00 0.00 C +ATOM 2118 O PRO A 267 9.375 0.669 6.516 1.00 0.00 O +ATOM 2119 CG PRO A 267 6.457 -2.283 8.695 1.00 0.00 C +ATOM 2120 CD PRO A 267 5.406 -1.216 8.594 1.00 0.00 C +ATOM 2121 N TYR A 268 7.469 0.058 5.492 1.00 0.00 N +ATOM 2122 CA TYR A 268 7.875 0.591 4.195 1.00 0.00 C +ATOM 2123 C TYR A 268 8.078 2.100 4.266 1.00 0.00 C +ATOM 2124 CB TYR A 268 6.832 0.253 3.125 1.00 0.00 C +ATOM 2125 O TYR A 268 9.086 2.621 3.793 1.00 0.00 O +ATOM 2126 CG TYR A 268 7.258 0.624 1.725 1.00 0.00 C +ATOM 2127 CD1 TYR A 268 6.883 1.842 1.162 1.00 0.00 C +ATOM 2128 CD2 TYR A 268 8.031 -0.243 0.963 1.00 0.00 C +ATOM 2129 CE1 TYR A 268 7.273 2.188 -0.128 1.00 0.00 C +ATOM 2130 CE2 TYR A 268 8.430 0.092 -0.328 1.00 0.00 C +ATOM 2131 OH TYR A 268 8.430 1.645 -2.143 1.00 0.00 O +ATOM 2132 CZ TYR A 268 8.047 1.308 -0.864 1.00 0.00 C +ATOM 2133 N ALA A 269 7.207 2.762 4.906 1.00 6.39 N +ATOM 2134 CA ALA A 269 7.289 4.215 5.020 1.00 6.39 C +ATOM 2135 C ALA A 269 8.531 4.633 5.805 1.00 6.39 C +ATOM 2136 CB ALA A 269 6.031 4.770 5.688 1.00 6.39 C +ATOM 2137 O ALA A 269 9.195 5.609 5.449 1.00 6.39 O +ATOM 2138 N SER A 270 8.812 3.930 6.836 1.00 0.02 N +ATOM 2139 CA SER A 270 9.953 4.246 7.695 1.00 0.02 C +ATOM 2140 C SER A 270 11.273 4.090 6.949 1.00 0.02 C +ATOM 2141 CB SER A 270 9.945 3.352 8.938 1.00 0.02 C +ATOM 2142 O SER A 270 12.141 4.961 7.020 1.00 0.02 O +ATOM 2143 OG SER A 270 8.797 3.588 9.727 1.00 0.02 O +ATOM 2144 N VAL A 271 11.367 3.020 6.270 1.00 0.19 N +ATOM 2145 CA VAL A 271 12.594 2.756 5.523 1.00 0.19 C +ATOM 2146 C VAL A 271 12.734 3.771 4.395 1.00 0.19 C +ATOM 2147 CB VAL A 271 12.609 1.319 4.957 1.00 0.19 C +ATOM 2148 O VAL A 271 13.828 4.293 4.152 1.00 0.19 O +ATOM 2149 CG1 VAL A 271 13.750 1.154 3.953 1.00 0.19 C +ATOM 2150 CG2 VAL A 271 12.742 0.301 6.086 1.00 0.19 C +ATOM 2151 N ALA A 272 11.641 4.031 3.703 1.00 0.11 N +ATOM 2152 CA ALA A 272 11.672 5.035 2.639 1.00 0.11 C +ATOM 2153 C ALA A 272 12.141 6.387 3.172 1.00 0.11 C +ATOM 2154 CB ALA A 272 10.297 5.168 1.992 1.00 0.11 C +ATOM 2155 O ALA A 272 12.969 7.059 2.545 1.00 0.11 O +ATOM 2156 N TRP A 273 11.609 6.723 4.324 1.00 0.32 N +ATOM 2157 CA TRP A 273 11.977 7.992 4.941 1.00 0.32 C +ATOM 2158 C TRP A 273 13.445 7.992 5.359 1.00 0.32 C +ATOM 2159 CB TRP A 273 11.086 8.273 6.152 1.00 0.32 C +ATOM 2160 O TRP A 273 14.148 8.984 5.164 1.00 0.32 O +ATOM 2161 CG TRP A 273 11.328 9.617 6.785 1.00 0.32 C +ATOM 2162 CD1 TRP A 273 11.977 9.867 7.961 1.00 0.32 C +ATOM 2163 CD2 TRP A 273 10.914 10.891 6.277 1.00 0.32 C +ATOM 2164 CE2 TRP A 273 11.352 11.867 7.199 1.00 0.32 C +ATOM 2165 CE3 TRP A 273 10.219 11.297 5.133 1.00 0.32 C +ATOM 2166 NE1 TRP A 273 12.000 11.219 8.211 1.00 0.32 N +ATOM 2167 CH2 TRP A 273 10.430 13.602 5.879 1.00 0.32 C +ATOM 2168 CZ2 TRP A 273 11.117 13.227 7.008 1.00 0.32 C +ATOM 2169 CZ3 TRP A 273 9.984 12.648 4.945 1.00 0.32 C +ATOM 2170 N PHE A 274 13.828 6.941 5.910 1.00 0.08 N +ATOM 2171 CA PHE A 274 15.219 6.824 6.332 1.00 0.08 C +ATOM 2172 C PHE A 274 16.156 7.008 5.148 1.00 0.08 C +ATOM 2173 CB PHE A 274 15.469 5.465 6.992 1.00 0.08 C +ATOM 2174 O PHE A 274 17.125 7.766 5.230 1.00 0.08 O +ATOM 2175 CG PHE A 274 16.906 5.223 7.359 1.00 0.08 C +ATOM 2176 CD1 PHE A 274 17.734 4.492 6.520 1.00 0.08 C +ATOM 2177 CD2 PHE A 274 17.422 5.727 8.547 1.00 0.08 C +ATOM 2178 CE1 PHE A 274 19.078 4.270 6.855 1.00 0.08 C +ATOM 2179 CE2 PHE A 274 18.750 5.508 8.891 1.00 0.08 C +ATOM 2180 CZ PHE A 274 19.578 4.777 8.039 1.00 0.08 C +ATOM 2181 N ILE A 275 15.891 6.312 4.070 1.00 0.00 N +ATOM 2182 CA ILE A 275 16.719 6.395 2.873 1.00 0.00 C +ATOM 2183 C ILE A 275 16.719 7.832 2.350 1.00 0.00 C +ATOM 2184 CB ILE A 275 16.219 5.430 1.776 1.00 0.00 C +ATOM 2185 O ILE A 275 17.766 8.344 1.948 1.00 0.00 O +ATOM 2186 CG1 ILE A 275 16.469 3.975 2.195 1.00 0.00 C +ATOM 2187 CG2 ILE A 275 16.906 5.738 0.438 1.00 0.00 C +ATOM 2188 CD1 ILE A 275 15.805 2.947 1.288 1.00 0.00 C +ATOM 2189 N PHE A 276 15.633 8.430 2.461 1.00 0.02 N +ATOM 2190 CA PHE A 276 15.469 9.797 1.981 1.00 0.02 C +ATOM 2191 C PHE A 276 16.312 10.766 2.809 1.00 0.02 C +ATOM 2192 CB PHE A 276 13.992 10.211 2.025 1.00 0.02 C +ATOM 2193 O PHE A 276 16.984 11.625 2.256 1.00 0.02 O +ATOM 2194 CG PHE A 276 13.773 11.688 1.838 1.00 0.02 C +ATOM 2195 CD1 PHE A 276 13.266 12.461 2.875 1.00 0.02 C +ATOM 2196 CD2 PHE A 276 14.062 12.297 0.625 1.00 0.02 C +ATOM 2197 CE1 PHE A 276 13.062 13.828 2.703 1.00 0.02 C +ATOM 2198 CE2 PHE A 276 13.859 13.664 0.448 1.00 0.02 C +ATOM 2199 CZ PHE A 276 13.359 14.430 1.487 1.00 0.02 C +ATOM 2200 N THR A 277 16.375 10.648 4.121 1.00 0.00 N +ATOM 2201 CA THR A 277 17.047 11.602 5.000 1.00 0.00 C +ATOM 2202 C THR A 277 18.516 11.266 5.137 1.00 0.00 C +ATOM 2203 CB THR A 277 16.391 11.633 6.391 1.00 0.00 C +ATOM 2204 O THR A 277 19.328 12.125 5.496 1.00 0.00 O +ATOM 2205 CG2 THR A 277 14.961 12.164 6.320 1.00 0.00 C +ATOM 2206 OG1 THR A 277 16.359 10.305 6.930 1.00 0.00 O +ATOM 2207 N HIS A 278 18.906 10.094 4.836 1.00 0.95 N +ATOM 2208 CA HIS A 278 20.281 9.641 4.988 1.00 0.95 C +ATOM 2209 C HIS A 278 20.891 9.273 3.639 1.00 0.95 C +ATOM 2210 CB HIS A 278 20.359 8.453 5.945 1.00 0.95 C +ATOM 2211 O HIS A 278 21.297 8.125 3.430 1.00 0.95 O +ATOM 2212 CG HIS A 278 19.969 8.781 7.348 1.00 0.95 C +ATOM 2213 CD2 HIS A 278 20.703 8.930 8.469 1.00 0.95 C +ATOM 2214 ND1 HIS A 278 18.656 9.008 7.723 1.00 0.95 N +ATOM 2215 CE1 HIS A 278 18.609 9.273 9.016 1.00 0.95 C +ATOM 2216 NE2 HIS A 278 19.844 9.234 9.492 1.00 0.95 N +ATOM 2217 N GLN A 279 21.000 10.312 2.744 1.00 14.74 N +ATOM 2218 CA GLN A 279 21.578 10.070 1.421 1.00 14.74 C +ATOM 2219 C GLN A 279 23.031 9.656 1.517 1.00 14.74 C +ATOM 2220 CB GLN A 279 21.438 11.312 0.543 1.00 14.74 C +ATOM 2221 O GLN A 279 23.812 10.258 2.260 1.00 14.74 O +ATOM 2222 CG GLN A 279 20.000 11.633 0.143 1.00 14.74 C +ATOM 2223 CD GLN A 279 19.438 10.633 -0.848 1.00 14.74 C +ATOM 2224 NE2 GLN A 279 18.266 10.086 -0.533 1.00 14.74 N +ATOM 2225 OE1 GLN A 279 20.047 10.359 -1.888 1.00 14.74 O +ATOM 2226 N GLY A 280 23.297 8.625 0.982 1.00 0.00 N +ATOM 2227 CA GLY A 280 24.672 8.141 0.967 1.00 0.00 C +ATOM 2228 C GLY A 280 24.891 6.977 1.909 1.00 0.00 C +ATOM 2229 O GLY A 280 26.000 6.434 1.975 1.00 0.00 O +ATOM 2230 N SER A 281 23.875 6.695 2.760 1.00 0.38 N +ATOM 2231 CA SER A 281 24.016 5.578 3.688 1.00 0.38 C +ATOM 2232 C SER A 281 24.094 4.250 2.945 1.00 0.38 C +ATOM 2233 CB SER A 281 22.844 5.551 4.672 1.00 0.38 C +ATOM 2234 O SER A 281 23.594 4.121 1.831 1.00 0.38 O +ATOM 2235 OG SER A 281 21.625 5.375 3.990 1.00 0.38 O +ATOM 2236 N GLU A 282 24.844 3.342 3.553 1.00 2.78 N +ATOM 2237 CA GLU A 282 24.969 2.002 2.986 1.00 2.78 C +ATOM 2238 C GLU A 282 23.844 1.091 3.471 1.00 2.78 C +ATOM 2239 CB GLU A 282 26.328 1.393 3.340 1.00 2.78 C +ATOM 2240 O GLU A 282 23.625 0.965 4.676 1.00 2.78 O +ATOM 2241 CG GLU A 282 27.516 2.125 2.721 1.00 2.78 C +ATOM 2242 CD GLU A 282 28.844 1.447 2.988 1.00 2.78 C +ATOM 2243 OE1 GLU A 282 29.875 1.912 2.459 1.00 2.78 O +ATOM 2244 OE2 GLU A 282 28.859 0.441 3.732 1.00 2.78 O +ATOM 2245 N PHE A 283 23.078 0.593 2.574 1.00 0.30 N +ATOM 2246 CA PHE A 283 22.078 -0.412 2.891 1.00 0.30 C +ATOM 2247 C PHE A 283 22.000 -1.463 1.790 1.00 0.30 C +ATOM 2248 CB PHE A 283 20.703 0.244 3.092 1.00 0.30 C +ATOM 2249 O PHE A 283 22.328 -1.188 0.636 1.00 0.30 O +ATOM 2250 CG PHE A 283 20.281 1.135 1.954 1.00 0.30 C +ATOM 2251 CD1 PHE A 283 20.547 2.500 1.992 1.00 0.30 C +ATOM 2252 CD2 PHE A 283 19.641 0.606 0.845 1.00 0.30 C +ATOM 2253 CE1 PHE A 283 20.156 3.328 0.940 1.00 0.30 C +ATOM 2254 CE2 PHE A 283 19.250 1.427 -0.209 1.00 0.30 C +ATOM 2255 CZ PHE A 283 19.500 2.787 -0.159 1.00 0.30 C +ATOM 2256 N GLY A 284 21.688 -2.568 2.086 1.00 0.76 N +ATOM 2257 CA GLY A 284 21.609 -3.666 1.136 1.00 0.76 C +ATOM 2258 C GLY A 284 20.234 -3.779 0.484 1.00 0.76 C +ATOM 2259 O GLY A 284 19.281 -3.125 0.911 1.00 0.76 O +ATOM 2260 N PRO A 285 20.109 -4.586 -0.598 1.00 0.14 N +ATOM 2261 CA PRO A 285 18.875 -4.750 -1.370 1.00 0.14 C +ATOM 2262 C PRO A 285 17.719 -5.273 -0.524 1.00 0.14 C +ATOM 2263 CB PRO A 285 19.266 -5.766 -2.447 1.00 0.14 C +ATOM 2264 O PRO A 285 16.562 -4.961 -0.803 1.00 0.14 O +ATOM 2265 CG PRO A 285 20.469 -6.465 -1.895 1.00 0.14 C +ATOM 2266 CD PRO A 285 21.234 -5.500 -1.034 1.00 0.14 C +ATOM 2267 N LEU A 286 17.984 -5.906 0.552 1.00 29.06 N +ATOM 2268 CA LEU A 286 16.906 -6.492 1.356 1.00 29.06 C +ATOM 2269 C LEU A 286 16.312 -5.457 2.307 1.00 29.06 C +ATOM 2270 CB LEU A 286 17.438 -7.691 2.152 1.00 29.06 C +ATOM 2271 O LEU A 286 15.203 -5.633 2.805 1.00 29.06 O +ATOM 2272 CG LEU A 286 17.844 -8.922 1.337 1.00 29.06 C +ATOM 2273 CD1 LEU A 286 18.312 -10.039 2.262 1.00 29.06 C +ATOM 2274 CD2 LEU A 286 16.688 -9.391 0.464 1.00 29.06 C +ATOM 2275 N PHE A 287 17.000 -4.383 2.504 1.00 0.37 N +ATOM 2276 CA PHE A 287 16.594 -3.322 3.420 1.00 0.37 C +ATOM 2277 C PHE A 287 15.273 -2.703 2.986 1.00 0.37 C +ATOM 2278 CB PHE A 287 17.672 -2.242 3.504 1.00 0.37 C +ATOM 2279 O PHE A 287 14.438 -2.355 3.824 1.00 0.37 O +ATOM 2280 CG PHE A 287 17.422 -1.211 4.570 1.00 0.37 C +ATOM 2281 CD1 PHE A 287 17.312 0.135 4.246 1.00 0.37 C +ATOM 2282 CD2 PHE A 287 17.297 -1.589 5.902 1.00 0.37 C +ATOM 2283 CE1 PHE A 287 17.078 1.091 5.230 1.00 0.37 C +ATOM 2284 CE2 PHE A 287 17.062 -0.639 6.895 1.00 0.37 C +ATOM 2285 CZ PHE A 287 16.953 0.700 6.555 1.00 0.37 C +ATOM 2286 N MET A 288 15.023 -2.576 1.647 1.00 0.00 N +ATOM 2287 CA MET A 288 13.758 -2.049 1.141 1.00 0.00 C +ATOM 2288 C MET A 288 12.820 -3.180 0.726 1.00 0.00 C +ATOM 2289 CB MET A 288 14.000 -1.110 -0.042 1.00 0.00 C +ATOM 2290 O MET A 288 11.602 -3.033 0.779 1.00 0.00 O +ATOM 2291 CG MET A 288 12.750 -0.409 -0.537 1.00 0.00 C +ATOM 2292 SD MET A 288 12.094 0.804 0.676 1.00 0.00 S +ATOM 2293 CE MET A 288 10.562 1.302 -0.161 1.00 0.00 C +ATOM 2294 N THR A 289 13.375 -4.352 0.362 1.00 0.75 N +ATOM 2295 CA THR A 289 12.570 -5.457 -0.146 1.00 0.75 C +ATOM 2296 C THR A 289 11.680 -6.027 0.953 1.00 0.75 C +ATOM 2297 CB THR A 289 13.461 -6.578 -0.718 1.00 0.75 C +ATOM 2298 O THR A 289 10.477 -6.227 0.745 1.00 0.75 O +ATOM 2299 CG2 THR A 289 12.617 -7.742 -1.230 1.00 0.75 C +ATOM 2300 OG1 THR A 289 14.242 -6.055 -1.800 1.00 0.75 O +ATOM 2301 N ILE A 290 12.203 -6.160 2.131 1.00 0.53 N +ATOM 2302 CA ILE A 290 11.484 -6.828 3.211 1.00 0.53 C +ATOM 2303 C ILE A 290 10.305 -5.965 3.658 1.00 0.53 C +ATOM 2304 CB ILE A 290 12.414 -7.129 4.406 1.00 0.53 C +ATOM 2305 O ILE A 290 9.172 -6.445 3.742 1.00 0.53 O +ATOM 2306 CG1 ILE A 290 13.406 -8.242 4.047 1.00 0.53 C +ATOM 2307 CG2 ILE A 290 11.602 -7.500 5.648 1.00 0.53 C +ATOM 2308 CD1 ILE A 290 14.445 -8.523 5.129 1.00 0.53 C +ATOM 2309 N PRO A 291 10.539 -4.715 3.926 1.00 0.00 N +ATOM 2310 CA PRO A 291 9.391 -3.896 4.312 1.00 0.00 C +ATOM 2311 C PRO A 291 8.328 -3.814 3.219 1.00 0.00 C +ATOM 2312 CB PRO A 291 10.008 -2.521 4.578 1.00 0.00 C +ATOM 2313 O PRO A 291 7.145 -3.623 3.514 1.00 0.00 O +ATOM 2314 CG PRO A 291 11.414 -2.812 5.000 1.00 0.00 C +ATOM 2315 CD PRO A 291 11.914 -3.988 4.215 1.00 0.00 C +ATOM 2316 N ALA A 292 8.719 -3.920 1.963 1.00 9.73 N +ATOM 2317 CA ALA A 292 7.770 -3.904 0.850 1.00 9.73 C +ATOM 2318 C ALA A 292 6.816 -5.090 0.925 1.00 9.73 C +ATOM 2319 CB ALA A 292 8.516 -3.908 -0.482 1.00 9.73 C +ATOM 2320 O ALA A 292 5.668 -5.004 0.482 1.00 9.73 O +ATOM 2321 N PHE A 293 7.258 -6.191 1.557 1.00 0.54 N +ATOM 2322 CA PHE A 293 6.410 -7.367 1.720 1.00 0.54 C +ATOM 2323 C PHE A 293 5.191 -7.043 2.574 1.00 0.54 C +ATOM 2324 CB PHE A 293 7.203 -8.516 2.350 1.00 0.54 C +ATOM 2325 O PHE A 293 4.082 -7.492 2.277 1.00 0.54 O +ATOM 2326 CG PHE A 293 8.164 -9.180 1.402 1.00 0.54 C +ATOM 2327 CD1 PHE A 293 8.305 -8.727 0.099 1.00 0.54 C +ATOM 2328 CD2 PHE A 293 8.930 -10.266 1.816 1.00 0.54 C +ATOM 2329 CE1 PHE A 293 9.195 -9.336 -0.780 1.00 0.54 C +ATOM 2330 CE2 PHE A 293 9.820 -10.883 0.944 1.00 0.54 C +ATOM 2331 CZ PHE A 293 9.953 -10.422 -0.354 1.00 0.54 C +ATOM 2332 N PHE A 294 5.445 -6.273 3.570 1.00 0.00 N +ATOM 2333 CA PHE A 294 4.363 -5.922 4.484 1.00 0.00 C +ATOM 2334 C PHE A 294 3.320 -5.062 3.785 1.00 0.00 C +ATOM 2335 CB PHE A 294 4.914 -5.188 5.711 1.00 0.00 C +ATOM 2336 O PHE A 294 2.117 -5.285 3.943 1.00 0.00 O +ATOM 2337 CG PHE A 294 5.680 -6.074 6.656 1.00 0.00 C +ATOM 2338 CD1 PHE A 294 5.031 -6.727 7.699 1.00 0.00 C +ATOM 2339 CD2 PHE A 294 7.047 -6.254 6.504 1.00 0.00 C +ATOM 2340 CE1 PHE A 294 5.738 -7.547 8.578 1.00 0.00 C +ATOM 2341 CE2 PHE A 294 7.758 -7.074 7.379 1.00 0.00 C +ATOM 2342 CZ PHE A 294 7.102 -7.719 8.414 1.00 0.00 C +ATOM 2343 N ALA A 295 3.779 -4.164 3.018 1.00 1.21 N +ATOM 2344 CA ALA A 295 2.855 -3.289 2.299 1.00 1.21 C +ATOM 2345 C ALA A 295 2.029 -4.078 1.288 1.00 1.21 C +ATOM 2346 CB ALA A 295 3.621 -2.170 1.597 1.00 1.21 C +ATOM 2347 O ALA A 295 0.810 -3.912 1.208 1.00 1.21 O +ATOM 2348 N LYS A 296 2.645 -4.992 0.657 1.00 0.00 N +ATOM 2349 CA LYS A 296 1.985 -5.766 -0.391 1.00 0.00 C +ATOM 2350 C LYS A 296 1.006 -6.777 0.203 1.00 0.00 C +ATOM 2351 CB LYS A 296 3.020 -6.488 -1.257 1.00 0.00 C +ATOM 2352 O LYS A 296 0.013 -7.133 -0.433 1.00 0.00 O +ATOM 2353 CG LYS A 296 3.893 -5.555 -2.084 1.00 0.00 C +ATOM 2354 CD LYS A 296 4.887 -6.332 -2.939 1.00 0.00 C +ATOM 2355 CE LYS A 296 5.812 -5.398 -3.707 1.00 0.00 C +ATOM 2356 NZ LYS A 296 5.055 -4.492 -4.621 1.00 0.00 N +ATOM 2357 N SER A 297 1.227 -7.188 1.396 1.00 0.14 N +ATOM 2358 CA SER A 297 0.384 -8.188 2.045 1.00 0.14 C +ATOM 2359 C SER A 297 -0.960 -7.594 2.453 1.00 0.14 C +ATOM 2360 CB SER A 297 1.088 -8.766 3.271 1.00 0.14 C +ATOM 2361 O SER A 297 -1.909 -8.328 2.732 1.00 0.14 O +ATOM 2362 OG SER A 297 1.384 -7.750 4.211 1.00 0.14 O +ATOM 2363 N SER A 298 -1.044 -6.328 2.359 1.00 0.03 N +ATOM 2364 CA SER A 298 -2.295 -5.664 2.711 1.00 0.03 C +ATOM 2365 C SER A 298 -3.422 -6.074 1.771 1.00 0.03 C +ATOM 2366 CB SER A 298 -2.119 -4.145 2.682 1.00 0.03 C +ATOM 2367 O SER A 298 -4.598 -5.953 2.115 1.00 0.03 O +ATOM 2368 OG SER A 298 -1.894 -3.691 1.358 1.00 0.03 O +ATOM 2369 N SER A 299 -3.066 -6.527 0.627 1.00 2.94 N +ATOM 2370 CA SER A 299 -4.062 -6.938 -0.357 1.00 2.94 C +ATOM 2371 C SER A 299 -4.836 -8.164 0.118 1.00 2.94 C +ATOM 2372 CB SER A 299 -3.398 -7.234 -1.701 1.00 2.94 C +ATOM 2373 O SER A 299 -5.910 -8.469 -0.406 1.00 2.94 O +ATOM 2374 OG SER A 299 -2.553 -8.367 -1.605 1.00 2.94 O +ATOM 2375 N ILE A 300 -4.312 -8.812 1.142 1.00 3.27 N +ATOM 2376 CA ILE A 300 -4.953 -9.992 1.704 1.00 3.27 C +ATOM 2377 C ILE A 300 -5.527 -9.664 3.080 1.00 3.27 C +ATOM 2378 CB ILE A 300 -3.965 -11.180 1.807 1.00 3.27 C +ATOM 2379 O ILE A 300 -6.680 -9.992 3.371 1.00 3.27 O +ATOM 2380 CG1 ILE A 300 -3.514 -11.617 0.409 1.00 3.27 C +ATOM 2381 CG2 ILE A 300 -4.598 -12.344 2.572 1.00 3.27 C +ATOM 2382 CD1 ILE A 300 -2.428 -12.680 0.418 1.00 3.27 C +ATOM 2383 N TYR A 301 -4.777 -9.031 3.912 1.00 0.00 N +ATOM 2384 CA TYR A 301 -5.125 -8.789 5.309 1.00 0.00 C +ATOM 2385 C TYR A 301 -6.398 -7.961 5.418 1.00 0.00 C +ATOM 2386 CB TYR A 301 -3.975 -8.086 6.031 1.00 0.00 C +ATOM 2387 O TYR A 301 -7.301 -8.297 6.188 1.00 0.00 O +ATOM 2388 CG TYR A 301 -2.793 -8.977 6.312 1.00 0.00 C +ATOM 2389 CD1 TYR A 301 -2.963 -10.227 6.906 1.00 0.00 C +ATOM 2390 CD2 TYR A 301 -1.502 -8.578 5.980 1.00 0.00 C +ATOM 2391 CE1 TYR A 301 -1.875 -11.055 7.172 1.00 0.00 C +ATOM 2392 CE2 TYR A 301 -0.407 -9.398 6.238 1.00 0.00 C +ATOM 2393 OH TYR A 301 0.477 -11.445 7.090 1.00 0.00 O +ATOM 2394 CZ TYR A 301 -0.604 -10.633 6.832 1.00 0.00 C +ATOM 2395 N ASN A 302 -6.453 -6.957 4.547 1.00 0.00 N +ATOM 2396 CA ASN A 302 -7.570 -6.027 4.664 1.00 0.00 C +ATOM 2397 C ASN A 302 -8.906 -6.715 4.383 1.00 0.00 C +ATOM 2398 CB ASN A 302 -7.379 -4.836 3.721 1.00 0.00 C +ATOM 2399 O ASN A 302 -9.836 -6.625 5.188 1.00 0.00 O +ATOM 2400 CG ASN A 302 -6.277 -3.900 4.180 1.00 0.00 C +ATOM 2401 ND2 ASN A 302 -5.809 -3.049 3.275 1.00 0.00 N +ATOM 2402 OD1 ASN A 302 -5.855 -3.941 5.340 1.00 0.00 O +ATOM 2403 N PRO A 303 -8.977 -7.371 3.309 1.00 0.00 N +ATOM 2404 CA PRO A 303 -10.234 -8.062 3.025 1.00 0.00 C +ATOM 2405 C PRO A 303 -10.562 -9.141 4.059 1.00 0.00 C +ATOM 2406 CB PRO A 303 -9.992 -8.688 1.647 1.00 0.00 C +ATOM 2407 O PRO A 303 -11.727 -9.305 4.434 1.00 0.00 O +ATOM 2408 CG PRO A 303 -8.945 -7.828 1.020 1.00 0.00 C +ATOM 2409 CD PRO A 303 -8.055 -7.293 2.105 1.00 0.00 C +ATOM 2410 N VAL A 304 -9.570 -9.836 4.484 1.00 0.06 N +ATOM 2411 CA VAL A 304 -9.781 -10.906 5.457 1.00 0.06 C +ATOM 2412 C VAL A 304 -10.344 -10.320 6.750 1.00 0.06 C +ATOM 2413 CB VAL A 304 -8.469 -11.672 5.742 1.00 0.06 C +ATOM 2414 O VAL A 304 -11.297 -10.859 7.312 1.00 0.06 O +ATOM 2415 CG1 VAL A 304 -8.625 -12.570 6.969 1.00 0.06 C +ATOM 2416 CG2 VAL A 304 -8.055 -12.492 4.523 1.00 0.06 C +ATOM 2417 N ILE A 305 -9.727 -9.305 7.215 1.00 0.00 N +ATOM 2418 CA ILE A 305 -10.195 -8.664 8.438 1.00 0.00 C +ATOM 2419 C ILE A 305 -11.641 -8.203 8.266 1.00 0.00 C +ATOM 2420 CB ILE A 305 -9.289 -7.465 8.820 1.00 0.00 C +ATOM 2421 O ILE A 305 -12.484 -8.445 9.133 1.00 0.00 O +ATOM 2422 CG1 ILE A 305 -7.910 -7.957 9.266 1.00 0.00 C +ATOM 2423 CG2 ILE A 305 -9.953 -6.621 9.914 1.00 0.00 C +ATOM 2424 CD1 ILE A 305 -6.898 -6.840 9.484 1.00 0.00 C +ATOM 2425 N TYR A 306 -11.922 -7.789 7.152 1.00 0.00 N +ATOM 2426 CA TYR A 306 -13.258 -7.242 6.941 1.00 0.00 C +ATOM 2427 C TYR A 306 -14.281 -8.359 6.789 1.00 0.00 C +ATOM 2428 CB TYR A 306 -13.281 -6.336 5.707 1.00 0.00 C +ATOM 2429 O TYR A 306 -15.383 -8.281 7.348 1.00 0.00 O +ATOM 2430 CG TYR A 306 -12.797 -4.934 5.973 1.00 0.00 C +ATOM 2431 CD1 TYR A 306 -13.602 -4.012 6.633 1.00 0.00 C +ATOM 2432 CD2 TYR A 306 -11.531 -4.527 5.566 1.00 0.00 C +ATOM 2433 CE1 TYR A 306 -13.164 -2.715 6.879 1.00 0.00 C +ATOM 2434 CE2 TYR A 306 -11.078 -3.232 5.809 1.00 0.00 C +ATOM 2435 OH TYR A 306 -11.453 -1.055 6.707 1.00 0.00 O +ATOM 2436 CZ TYR A 306 -11.898 -2.336 6.465 1.00 0.00 C +ATOM 2437 N ILE A 307 -13.945 -9.273 6.035 1.00 0.25 N +ATOM 2438 CA ILE A 307 -14.836 -10.406 5.816 1.00 0.25 C +ATOM 2439 C ILE A 307 -15.117 -11.102 7.141 1.00 0.25 C +ATOM 2440 CB ILE A 307 -14.250 -11.406 4.797 1.00 0.25 C +ATOM 2441 O ILE A 307 -16.266 -11.445 7.441 1.00 0.25 O +ATOM 2442 CG1 ILE A 307 -14.234 -10.789 3.391 1.00 0.25 C +ATOM 2443 CG2 ILE A 307 -15.031 -12.719 4.809 1.00 0.25 C +ATOM 2444 CD1 ILE A 307 -13.414 -11.578 2.377 1.00 0.25 C +ATOM 2445 N CYS A 308 -14.125 -11.180 7.934 1.00 0.01 N +ATOM 2446 CA CYS A 308 -14.258 -11.914 9.188 1.00 0.01 C +ATOM 2447 C CYS A 308 -15.023 -11.094 10.219 1.00 0.01 C +ATOM 2448 CB CYS A 308 -12.875 -12.273 9.742 1.00 0.01 C +ATOM 2449 O CYS A 308 -15.719 -11.656 11.070 1.00 0.01 O +ATOM 2450 SG CYS A 308 -12.023 -13.555 8.797 1.00 0.01 S +ATOM 2451 N MET A 309 -15.031 -9.852 10.000 1.00 0.00 N +ATOM 2452 CA MET A 309 -15.641 -8.992 11.016 1.00 0.00 C +ATOM 2453 C MET A 309 -17.078 -8.641 10.641 1.00 0.00 C +ATOM 2454 CB MET A 309 -14.820 -7.715 11.195 1.00 0.00 C +ATOM 2455 O MET A 309 -17.844 -8.195 11.484 1.00 0.00 O +ATOM 2456 CG MET A 309 -13.469 -7.938 11.859 1.00 0.00 C +ATOM 2457 SD MET A 309 -12.531 -6.375 12.094 1.00 0.00 S +ATOM 2458 CE MET A 309 -13.516 -5.613 13.414 1.00 0.00 C +ATOM 2459 N ASN A 310 -17.438 -8.859 9.344 1.00 0.00 N +ATOM 2460 CA ASN A 310 -18.781 -8.578 8.852 1.00 0.00 C +ATOM 2461 C ASN A 310 -19.609 -9.852 8.695 1.00 0.00 C +ATOM 2462 CB ASN A 310 -18.719 -7.816 7.527 1.00 0.00 C +ATOM 2463 O ASN A 310 -19.484 -10.555 7.691 1.00 0.00 O +ATOM 2464 CG ASN A 310 -20.062 -7.223 7.129 1.00 0.00 C +ATOM 2465 ND2 ASN A 310 -20.031 -6.062 6.484 1.00 0.00 N +ATOM 2466 OD1 ASN A 310 -21.109 -7.801 7.398 1.00 0.00 O +ATOM 2467 N LYS A 311 -20.328 -10.117 9.734 1.00 0.07 N +ATOM 2468 CA LYS A 311 -21.094 -11.359 9.773 1.00 0.07 C +ATOM 2469 C LYS A 311 -22.016 -11.469 8.562 1.00 0.07 C +ATOM 2470 CB LYS A 311 -21.906 -11.461 11.070 1.00 0.07 C +ATOM 2471 O LYS A 311 -22.156 -12.547 7.980 1.00 0.07 O +ATOM 2472 CG LYS A 311 -21.062 -11.781 12.297 1.00 0.07 C +ATOM 2473 CD LYS A 311 -21.938 -11.930 13.539 1.00 0.07 C +ATOM 2474 CE LYS A 311 -21.094 -12.156 14.789 1.00 0.07 C +ATOM 2475 NZ LYS A 311 -21.938 -12.344 16.000 1.00 0.07 N +ATOM 2476 N GLN A 312 -22.656 -10.352 8.266 1.00 0.00 N +ATOM 2477 CA GLN A 312 -23.562 -10.312 7.129 1.00 0.00 C +ATOM 2478 C GLN A 312 -22.844 -10.695 5.840 1.00 0.00 C +ATOM 2479 CB GLN A 312 -24.203 -8.930 6.992 1.00 0.00 C +ATOM 2480 O GLN A 312 -23.359 -11.492 5.051 1.00 0.00 O +ATOM 2481 CG GLN A 312 -25.234 -8.828 5.875 1.00 0.00 C +ATOM 2482 CD GLN A 312 -25.875 -7.461 5.793 1.00 0.00 C +ATOM 2483 NE2 GLN A 312 -26.922 -7.348 4.992 1.00 0.00 N +ATOM 2484 OE1 GLN A 312 -25.422 -6.508 6.445 1.00 0.00 O +ATOM 2485 N PHE A 313 -21.688 -10.086 5.715 1.00 0.00 N +ATOM 2486 CA PHE A 313 -20.906 -10.375 4.516 1.00 0.00 C +ATOM 2487 C PHE A 313 -20.469 -11.836 4.492 1.00 0.00 C +ATOM 2488 CB PHE A 313 -19.688 -9.461 4.434 1.00 0.00 C +ATOM 2489 O PHE A 313 -20.578 -12.508 3.465 1.00 0.00 O +ATOM 2490 CG PHE A 313 -18.969 -9.500 3.105 1.00 0.00 C +ATOM 2491 CD1 PHE A 313 -18.016 -10.469 2.844 1.00 0.00 C +ATOM 2492 CD2 PHE A 313 -19.281 -8.570 2.117 1.00 0.00 C +ATOM 2493 CE1 PHE A 313 -17.359 -10.516 1.615 1.00 0.00 C +ATOM 2494 CE2 PHE A 313 -18.625 -8.609 0.887 1.00 0.00 C +ATOM 2495 CZ PHE A 313 -17.672 -9.578 0.638 1.00 0.00 C +ATOM 2496 N ARG A 314 -20.016 -12.328 5.586 1.00 0.00 N +ATOM 2497 CA ARG A 314 -19.547 -13.703 5.703 1.00 0.00 C +ATOM 2498 C ARG A 314 -20.641 -14.695 5.344 1.00 0.00 C +ATOM 2499 CB ARG A 314 -19.031 -13.977 7.117 1.00 0.00 C +ATOM 2500 O ARG A 314 -20.422 -15.641 4.590 1.00 0.00 O +ATOM 2501 CG ARG A 314 -18.422 -15.359 7.293 1.00 0.00 C +ATOM 2502 CD ARG A 314 -17.797 -15.523 8.672 1.00 0.00 C +ATOM 2503 NE ARG A 314 -18.797 -15.438 9.734 1.00 0.00 N +ATOM 2504 NH1 ARG A 314 -17.484 -14.172 11.148 1.00 0.00 N +ATOM 2505 NH2 ARG A 314 -19.609 -14.773 11.773 1.00 0.00 N +ATOM 2506 CZ ARG A 314 -18.625 -14.789 10.883 1.00 0.00 C +ATOM 2507 N ASN A 315 -21.734 -14.461 5.816 1.00 0.23 N +ATOM 2508 CA ASN A 315 -22.875 -15.336 5.551 1.00 0.23 C +ATOM 2509 C ASN A 315 -23.219 -15.352 4.066 1.00 0.23 C +ATOM 2510 CB ASN A 315 -24.078 -14.914 6.383 1.00 0.23 C +ATOM 2511 O ASN A 315 -23.500 -16.406 3.496 1.00 0.23 O +ATOM 2512 CG ASN A 315 -23.922 -15.250 7.855 1.00 0.23 C +ATOM 2513 ND2 ASN A 315 -24.656 -14.547 8.703 1.00 0.23 N +ATOM 2514 OD1 ASN A 315 -23.141 -16.141 8.219 1.00 0.23 O +ATOM 2515 N CYS A 316 -23.203 -14.234 3.492 1.00 0.00 N +ATOM 2516 CA CYS A 316 -23.500 -14.141 2.068 1.00 0.00 C +ATOM 2517 C CYS A 316 -22.422 -14.828 1.238 1.00 0.00 C +ATOM 2518 CB CYS A 316 -23.641 -12.680 1.644 1.00 0.00 C +ATOM 2519 O CYS A 316 -22.719 -15.477 0.234 1.00 0.00 O +ATOM 2520 SG CYS A 316 -25.125 -11.875 2.273 1.00 0.00 S +ATOM 2521 N MET A 317 -21.219 -14.602 1.693 1.00 0.00 N +ATOM 2522 CA MET A 317 -20.109 -15.242 0.987 1.00 0.00 C +ATOM 2523 C MET A 317 -20.219 -16.766 1.066 1.00 0.00 C +ATOM 2524 CB MET A 317 -18.766 -14.781 1.560 1.00 0.00 C +ATOM 2525 O MET A 317 -20.047 -17.453 0.063 1.00 0.00 O +ATOM 2526 CG MET A 317 -17.562 -15.320 0.808 1.00 0.00 C +ATOM 2527 SD MET A 317 -15.984 -14.633 1.430 1.00 0.00 S +ATOM 2528 CE MET A 317 -16.000 -13.008 0.622 1.00 0.00 C +ATOM 2529 N ILE A 318 -20.516 -17.328 2.180 1.00 1.26 N +ATOM 2530 CA ILE A 318 -20.672 -18.766 2.387 1.00 1.26 C +ATOM 2531 C ILE A 318 -21.828 -19.297 1.544 1.00 1.26 C +ATOM 2532 CB ILE A 318 -20.891 -19.094 3.879 1.00 1.26 C +ATOM 2533 O ILE A 318 -21.719 -20.344 0.903 1.00 1.26 O +ATOM 2534 CG1 ILE A 318 -19.641 -18.797 4.691 1.00 1.26 C +ATOM 2535 CG2 ILE A 318 -21.312 -20.562 4.047 1.00 1.26 C +ATOM 2536 CD1 ILE A 318 -19.828 -18.891 6.199 1.00 1.26 C +ATOM 2537 N THR A 319 -22.859 -18.578 1.561 1.00 0.06 N +ATOM 2538 CA THR A 319 -24.031 -18.953 0.763 1.00 0.06 C +ATOM 2539 C THR A 319 -23.672 -19.016 -0.719 1.00 0.06 C +ATOM 2540 CB THR A 319 -25.188 -17.953 0.969 1.00 0.06 C +ATOM 2541 O THR A 319 -24.125 -19.922 -1.431 1.00 0.06 O +ATOM 2542 CG2 THR A 319 -26.406 -18.359 0.156 1.00 0.06 C +ATOM 2543 OG1 THR A 319 -25.531 -17.922 2.357 1.00 0.06 O +ATOM 2544 N THR A 320 -22.922 -18.094 -1.121 1.00 0.03 N +ATOM 2545 CA THR A 320 -22.484 -18.047 -2.514 1.00 0.03 C +ATOM 2546 C THR A 320 -21.562 -19.234 -2.828 1.00 0.03 C +ATOM 2547 CB THR A 320 -21.750 -16.734 -2.832 1.00 0.03 C +ATOM 2548 O THR A 320 -21.703 -19.875 -3.875 1.00 0.03 O +ATOM 2549 CG2 THR A 320 -21.281 -16.703 -4.281 1.00 0.03 C +ATOM 2550 OG1 THR A 320 -22.641 -15.633 -2.611 1.00 0.03 O +ATOM 2551 N LEU A 321 -20.688 -19.562 -1.945 1.00 0.00 N +ATOM 2552 CA LEU A 321 -19.719 -20.625 -2.158 1.00 0.00 C +ATOM 2553 C LEU A 321 -20.391 -22.000 -2.123 1.00 0.00 C +ATOM 2554 CB LEU A 321 -18.609 -20.562 -1.100 1.00 0.00 C +ATOM 2555 O LEU A 321 -19.938 -22.938 -2.779 1.00 0.00 O +ATOM 2556 CG LEU A 321 -17.609 -19.422 -1.237 1.00 0.00 C +ATOM 2557 CD1 LEU A 321 -16.672 -19.391 -0.037 1.00 0.00 C +ATOM 2558 CD2 LEU A 321 -16.828 -19.547 -2.537 1.00 0.00 C +ATOM 2559 N PHE A 322 -21.516 -22.078 -1.393 1.00 0.00 N +ATOM 2560 CA PHE A 322 -22.219 -23.359 -1.269 1.00 0.00 C +ATOM 2561 C PHE A 322 -23.516 -23.344 -2.068 1.00 0.00 C +ATOM 2562 CB PHE A 322 -22.500 -23.672 0.202 1.00 0.00 C +ATOM 2563 O PHE A 322 -24.484 -24.016 -1.692 1.00 0.00 O +ATOM 2564 CG PHE A 322 -21.297 -24.094 0.982 1.00 0.00 C +ATOM 2565 CD1 PHE A 322 -20.812 -25.391 0.895 1.00 0.00 C +ATOM 2566 CD2 PHE A 322 -20.625 -23.188 1.804 1.00 0.00 C +ATOM 2567 CE1 PHE A 322 -19.688 -25.797 1.616 1.00 0.00 C +ATOM 2568 CE2 PHE A 322 -19.500 -23.578 2.527 1.00 0.00 C +ATOM 2569 CZ PHE A 322 -19.031 -24.891 2.434 1.00 0.00 C +ATOM 2570 N CYS A 323 -23.531 -22.656 -3.086 1.00 3.16 N +ATOM 2571 CA CYS A 323 -24.578 -22.641 -4.094 1.00 3.16 C +ATOM 2572 C CYS A 323 -25.922 -22.281 -3.473 1.00 3.16 C +ATOM 2573 CB CYS A 323 -24.672 -24.000 -4.793 1.00 3.16 C +ATOM 2574 O CYS A 323 -26.938 -22.922 -3.779 1.00 3.16 O +ATOM 2575 SG CYS A 323 -23.188 -24.438 -5.711 1.00 3.16 S +ATOM 2576 N GLY A 324 -25.938 -21.375 -2.574 1.00 2.92 N +ATOM 2577 CA GLY A 324 -27.156 -20.797 -2.043 1.00 2.92 C +ATOM 2578 C GLY A 324 -27.547 -21.375 -0.690 1.00 2.92 C +ATOM 2579 O GLY A 324 -28.562 -20.969 -0.115 1.00 2.92 O +ATOM 2580 N LYS A 325 -26.797 -22.375 -0.230 1.00 0.64 N +ATOM 2581 CA LYS A 325 -27.062 -22.938 1.092 1.00 0.64 C +ATOM 2582 C LYS A 325 -25.984 -22.531 2.088 1.00 0.64 C +ATOM 2583 CB LYS A 325 -27.172 -24.453 1.016 1.00 0.64 C +ATOM 2584 O LYS A 325 -24.797 -22.516 1.750 1.00 0.64 O +ATOM 2585 CG LYS A 325 -28.359 -24.969 0.218 1.00 0.64 C +ATOM 2586 CD LYS A 325 -28.469 -26.484 0.271 1.00 0.64 C +ATOM 2587 CE LYS A 325 -29.672 -26.984 -0.529 1.00 0.64 C +ATOM 2588 NZ LYS A 325 -29.703 -28.469 -0.592 1.00 0.64 N +ATOM 2589 N ASN A 326 -26.453 -21.984 3.242 1.00 0.03 N +ATOM 2590 CA ASN A 326 -25.500 -21.766 4.328 1.00 0.03 C +ATOM 2591 C ASN A 326 -25.469 -22.953 5.281 1.00 0.03 C +ATOM 2592 CB ASN A 326 -25.828 -20.484 5.090 1.00 0.03 C +ATOM 2593 O ASN A 326 -26.391 -23.156 6.070 1.00 0.03 O +ATOM 2594 CG ASN A 326 -24.703 -20.031 5.988 1.00 0.03 C +ATOM 2595 ND2 ASN A 326 -24.750 -18.766 6.410 1.00 0.03 N +ATOM 2596 OD1 ASN A 326 -23.797 -20.797 6.301 1.00 0.03 O +ATOM 2597 N PRO A 327 -24.531 -23.812 5.164 1.00 0.02 N +ATOM 2598 CA PRO A 327 -24.484 -24.984 6.031 1.00 0.02 C +ATOM 2599 C PRO A 327 -24.375 -24.625 7.512 1.00 0.02 C +ATOM 2600 CB PRO A 327 -23.234 -25.734 5.551 1.00 0.02 C +ATOM 2601 O PRO A 327 -24.641 -25.469 8.375 1.00 0.02 O +ATOM 2602 CG PRO A 327 -22.469 -24.719 4.781 1.00 0.02 C +ATOM 2603 CD PRO A 327 -23.406 -23.625 4.344 1.00 0.02 C +ATOM 2604 N PHE A 328 -24.141 -23.344 7.750 1.00 0.00 N +ATOM 2605 CA PHE A 328 -23.859 -22.969 9.133 1.00 0.00 C +ATOM 2606 C PHE A 328 -25.016 -22.172 9.734 1.00 0.00 C +ATOM 2607 CB PHE A 328 -22.562 -22.156 9.211 1.00 0.00 C +ATOM 2608 O PHE A 328 -24.922 -21.688 10.859 1.00 0.00 O +ATOM 2609 CG PHE A 328 -21.359 -22.875 8.688 1.00 0.00 C +ATOM 2610 CD1 PHE A 328 -20.797 -23.938 9.398 1.00 0.00 C +ATOM 2611 CD2 PHE A 328 -20.781 -22.516 7.480 1.00 0.00 C +ATOM 2612 CE1 PHE A 328 -19.688 -24.609 8.914 1.00 0.00 C +ATOM 2613 CE2 PHE A 328 -19.656 -23.188 6.988 1.00 0.00 C +ATOM 2614 CZ PHE A 328 -19.109 -24.234 7.707 1.00 0.00 C +ATOM 2615 N GLU A 329 -26.109 -21.859 8.961 1.00 0.00 N +ATOM 2616 CA GLU A 329 -27.219 -21.000 9.391 1.00 0.00 C +ATOM 2617 C GLU A 329 -28.016 -21.656 10.516 1.00 0.00 C +ATOM 2618 CB GLU A 329 -28.141 -20.688 8.211 1.00 0.00 C +ATOM 2619 O GLU A 329 -28.500 -20.984 11.422 1.00 0.00 O +ATOM 2620 CG GLU A 329 -27.875 -19.344 7.562 1.00 0.00 C +ATOM 2621 CD GLU A 329 -28.922 -18.953 6.531 1.00 0.00 C +ATOM 2622 OE1 GLU A 329 -28.875 -17.812 6.020 1.00 0.00 O +ATOM 2623 OE2 GLU A 329 -29.797 -19.797 6.230 1.00 0.00 O +ATOM 2624 N GLY A 330 -27.641 -22.906 11.062 1.00 0.00 N +ATOM 2625 CA GLY A 330 -28.391 -23.547 12.141 1.00 0.00 C +ATOM 2626 C GLY A 330 -27.531 -23.797 13.375 1.00 0.00 C +ATOM 2627 O GLY A 330 -28.062 -24.188 14.414 1.00 0.00 O +ATOM 2628 N GLU A 331 -26.281 -23.453 13.453 1.00 0.01 N +ATOM 2629 CA GLU A 331 -25.500 -23.734 14.648 1.00 0.01 C +ATOM 2630 C GLU A 331 -25.344 -22.484 15.523 1.00 0.01 C +ATOM 2631 CB GLU A 331 -24.125 -24.281 14.273 1.00 0.01 C +ATOM 2632 O GLU A 331 -25.234 -22.594 16.750 1.00 0.01 O +ATOM 2633 CG GLU A 331 -24.125 -25.766 13.953 1.00 0.01 C +ATOM 2634 CD GLU A 331 -22.734 -26.312 13.625 1.00 0.01 C +ATOM 2635 OE1 GLU A 331 -22.609 -27.531 13.391 1.00 0.01 O +ATOM 2636 OE2 GLU A 331 -21.781 -25.500 13.609 1.00 0.01 O +ATOM 2637 N GLU A 332 -25.938 -21.359 15.188 1.00 0.00 N +ATOM 2638 CA GLU A 332 -25.688 -20.312 16.172 1.00 0.00 C +ATOM 2639 C GLU A 332 -26.984 -19.797 16.781 1.00 0.00 C +ATOM 2640 CB GLU A 332 -24.906 -19.156 15.539 1.00 0.00 C +ATOM 2641 O GLU A 332 -26.984 -19.203 17.859 1.00 0.00 O +ATOM 2642 CG GLU A 332 -23.406 -19.375 15.492 1.00 0.00 C +ATOM 2643 CD GLU A 332 -22.641 -18.219 14.875 1.00 0.00 C +ATOM 2644 OE1 GLU A 332 -21.391 -18.281 14.781 1.00 0.00 O +ATOM 2645 OE2 GLU A 332 -23.297 -17.219 14.484 1.00 0.00 O +ATOM 2646 N GLU A 333 -28.094 -20.391 16.344 1.00 0.03 N +ATOM 2647 CA GLU A 333 -29.297 -20.078 17.109 1.00 0.03 C +ATOM 2648 C GLU A 333 -29.688 -21.234 18.016 1.00 0.03 C +ATOM 2649 CB GLU A 333 -30.453 -19.703 16.188 1.00 0.03 C +ATOM 2650 O GLU A 333 -30.578 -21.109 18.859 1.00 0.03 O +ATOM 2651 CG GLU A 333 -30.406 -18.266 15.688 1.00 0.03 C +ATOM 2652 CD GLU A 333 -31.641 -17.875 14.883 1.00 0.03 C +ATOM 2653 OE1 GLU A 333 -31.781 -16.688 14.539 1.00 0.03 O +ATOM 2654 OE2 GLU A 333 -32.469 -18.766 14.594 1.00 0.03 O +ATOM 2655 N GLY A 334 -28.812 -22.281 18.078 1.00 0.55 N +ATOM 2656 CA GLY A 334 -29.234 -23.328 18.984 1.00 0.55 C +ATOM 2657 C GLY A 334 -28.500 -23.312 20.312 1.00 0.55 C +ATOM 2658 O GLY A 334 -28.766 -24.141 21.188 1.00 0.55 O +ATOM 2659 N ALA A 335 -27.859 -22.156 20.625 1.00 0.13 N +ATOM 2660 CA ALA A 335 -27.469 -22.125 22.031 1.00 0.13 C +ATOM 2661 C ALA A 335 -28.391 -21.203 22.828 1.00 0.13 C +ATOM 2662 CB ALA A 335 -26.016 -21.672 22.172 1.00 0.13 C +ATOM 2663 O ALA A 335 -28.344 -21.188 24.062 1.00 0.13 O +ATOM 2664 N SER A 336 -29.641 -21.078 22.406 1.00 0.24 N +ATOM 2665 CA SER A 336 -30.547 -20.484 23.391 1.00 0.24 C +ATOM 2666 C SER A 336 -31.984 -20.922 23.172 1.00 0.24 C +ATOM 2667 CB SER A 336 -30.453 -18.953 23.359 1.00 0.24 C +ATOM 2668 O SER A 336 -32.875 -20.609 23.969 1.00 0.24 O +ATOM 2669 OG SER A 336 -31.297 -18.375 24.328 1.00 0.24 O +ATOM 2670 N SER A 337 -32.219 -22.188 22.891 1.00 0.00 N +ATOM 2671 CA SER A 337 -33.625 -22.453 23.109 1.00 0.00 C +ATOM 2672 C SER A 337 -33.844 -23.750 23.875 1.00 0.00 C +ATOM 2673 CB SER A 337 -34.375 -22.500 21.781 1.00 0.00 C +ATOM 2674 O SER A 337 -33.500 -24.828 23.391 1.00 0.00 O +ATOM 2675 OG SER A 337 -33.906 -23.578 20.984 1.00 0.00 O +ATOM 2676 N THR A 338 -33.250 -23.922 25.000 1.00 0.01 N +ATOM 2677 CA THR A 338 -33.938 -24.828 25.922 1.00 0.01 C +ATOM 2678 C THR A 338 -35.406 -24.453 26.078 1.00 0.01 C +ATOM 2679 CB THR A 338 -33.250 -24.828 27.312 1.00 0.01 C +ATOM 2680 O THR A 338 -35.719 -23.297 26.391 1.00 0.01 O +ATOM 2681 CG2 THR A 338 -33.125 -26.250 27.844 1.00 0.01 C +ATOM 2682 OG1 THR A 338 -31.969 -24.234 27.203 1.00 0.01 O +ATOM 2683 N LYS A 339 -36.219 -24.562 25.047 1.00 0.74 N +ATOM 2684 CA LYS A 339 -37.656 -24.812 25.016 1.00 0.74 C +ATOM 2685 C LYS A 339 -38.062 -25.703 26.172 1.00 0.74 C +ATOM 2686 CB LYS A 339 -38.062 -25.453 23.688 1.00 0.74 C +ATOM 2687 O LYS A 339 -37.625 -26.844 26.281 1.00 0.74 O +ATOM 2688 CG LYS A 339 -38.188 -24.453 22.531 1.00 0.74 C +ATOM 2689 CD LYS A 339 -38.781 -25.125 21.297 1.00 0.74 C +ATOM 2690 CE LYS A 339 -38.906 -24.125 20.141 1.00 0.74 C +ATOM 2691 NZ LYS A 339 -39.469 -24.781 18.922 1.00 0.74 N +ATOM 2692 N THR A 340 -37.875 -25.266 27.375 1.00 0.02 N +ATOM 2693 CA THR A 340 -38.688 -25.891 28.438 1.00 0.02 C +ATOM 2694 C THR A 340 -40.188 -25.672 28.203 1.00 0.02 C +ATOM 2695 CB THR A 340 -38.281 -25.328 29.812 1.00 0.02 C +ATOM 2696 O THR A 340 -40.594 -24.531 27.953 1.00 0.02 O +ATOM 2697 CG2 THR A 340 -38.344 -26.422 30.891 1.00 0.02 C +ATOM 2698 OG1 THR A 340 -36.969 -24.797 29.766 1.00 0.02 O +ATOM 2699 N GLU A 341 -40.781 -26.422 27.312 1.00 0.00 N +ATOM 2700 CA GLU A 341 -42.031 -27.172 27.328 1.00 0.00 C +ATOM 2701 C GLU A 341 -42.469 -27.500 28.750 1.00 0.00 C +ATOM 2702 CB GLU A 341 -41.875 -28.469 26.500 1.00 0.00 C +ATOM 2703 O GLU A 341 -41.688 -28.031 29.531 1.00 0.00 O +ATOM 2704 CG GLU A 341 -41.938 -28.250 25.000 1.00 0.00 C +ATOM 2705 CD GLU A 341 -41.906 -29.547 24.203 1.00 0.00 C +ATOM 2706 OE1 GLU A 341 -42.031 -29.500 22.969 1.00 0.00 O +ATOM 2707 OE2 GLU A 341 -41.750 -30.625 24.844 1.00 0.00 O +ATOM 2708 N ALA A 342 -43.156 -26.609 29.422 1.00 0.00 N +ATOM 2709 CA ALA A 342 -44.219 -27.172 30.266 1.00 0.00 C +ATOM 2710 C ALA A 342 -44.781 -26.109 31.188 1.00 0.00 C +ATOM 2711 CB ALA A 342 -43.688 -28.359 31.062 1.00 0.00 C +ATOM 2712 O ALA A 342 -44.062 -25.375 31.828 1.00 0.00 O +ATOM 2713 N SER A 343 -46.000 -25.562 30.859 1.00 0.00 N +ATOM 2714 CA SER A 343 -47.219 -25.812 31.672 1.00 0.00 C +ATOM 2715 C SER A 343 -48.188 -24.641 31.562 1.00 0.00 C +ATOM 2716 CB SER A 343 -46.812 -26.031 33.125 1.00 0.00 C +ATOM 2717 O SER A 343 -47.781 -23.484 31.672 1.00 0.00 O +ATOM 2718 OG SER A 343 -47.281 -27.297 33.594 1.00 0.00 O +ATOM 2719 N SER A 344 -49.125 -24.672 30.609 1.00 0.00 N +ATOM 2720 CA SER A 344 -50.562 -24.719 30.766 1.00 0.00 C +ATOM 2721 C SER A 344 -50.969 -24.250 32.156 1.00 0.00 C +ATOM 2722 CB SER A 344 -51.094 -26.125 30.500 1.00 0.00 C +ATOM 2723 O SER A 344 -50.375 -24.656 33.156 1.00 0.00 O +ATOM 2724 OG SER A 344 -50.250 -27.094 31.094 1.00 0.00 O +ATOM 2725 N ALA A 345 -51.438 -23.000 32.344 1.00 0.00 N +ATOM 2726 CA ALA A 345 -52.688 -22.812 33.062 1.00 0.00 C +ATOM 2727 C ALA A 345 -52.719 -21.438 33.750 1.00 0.00 C +ATOM 2728 CB ALA A 345 -52.875 -23.922 34.094 1.00 0.00 C +ATOM 2729 O ALA A 345 -51.750 -21.031 34.375 1.00 0.00 O +ATOM 2730 N SER A 346 -53.500 -20.484 33.188 1.00 0.00 N +ATOM 2731 CA SER A 346 -54.688 -19.953 33.844 1.00 0.00 C +ATOM 2732 C SER A 346 -54.906 -18.484 33.500 1.00 0.00 C +ATOM 2733 CB SER A 346 -54.562 -20.094 35.375 1.00 0.00 C +ATOM 2734 O SER A 346 -53.969 -17.688 33.500 1.00 0.00 O +ATOM 2735 OG SER A 346 -53.219 -19.969 35.781 1.00 0.00 O +ATOM 2736 N SER A 347 -55.688 -18.219 32.469 1.00 0.52 N +ATOM 2737 CA SER A 347 -56.844 -17.359 32.312 1.00 0.52 C +ATOM 2738 C SER A 347 -57.125 -16.578 33.594 1.00 0.52 C +ATOM 2739 CB SER A 347 -58.062 -18.203 31.938 1.00 0.52 C +ATOM 2740 O SER A 347 -57.250 -17.156 34.656 1.00 0.52 O +ATOM 2741 OG SER A 347 -58.344 -19.156 32.938 1.00 0.52 O +ATOM 2742 N VAL A 348 -56.594 -15.375 33.719 1.00 0.00 N +ATOM 2743 CA VAL A 348 -57.281 -14.461 34.625 1.00 0.00 C +ATOM 2744 C VAL A 348 -57.719 -13.203 33.875 1.00 0.00 C +ATOM 2745 CB VAL A 348 -56.406 -14.086 35.844 1.00 0.00 C +ATOM 2746 O VAL A 348 -56.875 -12.562 33.219 1.00 0.00 O +ATOM 2747 CG1 VAL A 348 -57.188 -13.148 36.781 1.00 0.00 C +ATOM 2748 CG2 VAL A 348 -55.969 -15.344 36.562 1.00 0.00 C +ATOM 2749 N SER A 349 -58.844 -13.234 33.156 1.00 0.21 N +ATOM 2750 CA SER A 349 -59.875 -12.188 33.062 1.00 0.21 C +ATOM 2751 C SER A 349 -60.312 -11.695 34.438 1.00 0.21 C +ATOM 2752 CB SER A 349 -61.094 -12.703 32.281 1.00 0.21 C +ATOM 2753 O SER A 349 -60.469 -12.492 35.344 1.00 0.21 O +ATOM 2754 OG SER A 349 -60.688 -13.328 31.062 1.00 0.21 O +ATOM 2755 N PRO A 350 -60.688 -10.516 34.531 1.00 0.03 N +ATOM 2756 CA PRO A 350 -61.500 -9.352 34.219 1.00 0.03 C +ATOM 2757 C PRO A 350 -61.219 -8.156 35.125 1.00 0.03 C +ATOM 2758 CB PRO A 350 -62.938 -9.859 34.406 1.00 0.03 C +ATOM 2759 O PRO A 350 -60.531 -8.305 36.125 1.00 0.03 O +ATOM 2760 CG PRO A 350 -62.844 -10.820 35.562 1.00 0.03 C +ATOM 2761 CD PRO A 350 -61.375 -11.000 35.906 1.00 0.03 C +ATOM 2762 N ALA A 351 -61.438 -6.859 34.656 1.00 0.05 N +ATOM 2763 CA ALA A 351 -62.312 -5.684 34.781 1.00 0.05 C +ATOM 2764 C ALA A 351 -61.719 -4.500 34.000 1.00 0.05 C +ATOM 2765 CB ALA A 351 -62.500 -5.312 36.250 1.00 0.05 C +ATOM 2766 O ALA A 351 -60.500 -4.305 33.969 1.00 0.05 O +TER 2767 ALA A 1 +ENDMDL +END diff --git a/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/ex_structure_viz_in_chimeraX.png b/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/ex_structure_viz_in_chimeraX.png new file mode 100644 index 0000000000000000000000000000000000000000..09a9dc09abd9930563f88aa5f240a137c208f1ab GIT binary patch literal 102111 zcmeFY^XchZBsoUz2o$Xz^lyG6G zO-5yMb(c3oYS6h9)U0nG`j z;JwgK%~Jg*_U9i=;LLCu=QAvH3Hm1`+yuS?<%SvnOwB$Ty%9SZ)KfI3w%@o_02&r{ 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b/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/optics_structure_map_ex_predictions.csv new file mode 100644 index 00000000..f5049040 --- /dev/null +++ b/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/optics_structure_map_ex_predictions.csv @@ -0,0 +1,2 @@ +Names,Single_Prediction,SHAP_Prediction,Sequence_Length +U57536,500.1,28.321982787086164,359 diff --git a/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/shap_script_log.txt b/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/shap_script_log.txt new file mode 100644 index 00000000..4486cdda --- /dev/null +++ b/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/shap_script_log.txt @@ -0,0 +1,3 @@ +Command executed: +GUI_Execution + diff --git a/examples/visualize_Bombus_impatiens_347.pml b/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/visualize_U57536.pml similarity index 82% rename from examples/visualize_Bombus_impatiens_347.pml rename to examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/visualize_U57536.pml index b4567f44..525d8ca6 100644 --- a/examples/visualize_Bombus_impatiens_347.pml +++ b/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/visualize_U57536.pml @@ -1,4 +1,4 @@ -load Bombus_impatiens_347_structure_heatmap.pdb +load U57536_structure_heatmap.pdb hide everything show cartoon spectrum b, blue_white_red, minimum=0, maximum=100 diff --git a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Bombus_impatiens_347_individual_shap.svg b/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Bombus_impatiens_347_individual_shap.svg deleted file mode 100644 index 10831df8..00000000 --- a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Bombus_impatiens_347_individual_shap.svg +++ /dev/null @@ -1,2198 +0,0 @@ - - - - - - - - 2026-01-26T15:22:11.859036 - image/svg+xml - - - Matplotlib v3.9.2, https://matplotlib.org/ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - diff --git a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Bombus_impatiens_347_shap_analysis.csv b/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Bombus_impatiens_347_shap_analysis.csv deleted file mode 100644 index 177b3f51..00000000 --- a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Bombus_impatiens_347_shap_analysis.csv +++ /dev/null @@ -1,1127 +0,0 @@ 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a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Bombus_impatiens_424_individual_shap.svg +++ /dev/null @@ -1,2221 +0,0 @@ - - - - - - - - 2026-01-26T15:22:11.602645 - image/svg+xml - - - Matplotlib v3.9.2, https://matplotlib.org/ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 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a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Bombus_impatiens_539_vs_Bombus_impatiens_347_shap_data.csv b/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Bombus_impatiens_539_vs_Bombus_impatiens_347_shap_data.csv deleted file mode 100644 index b2c39d1a..00000000 --- a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Bombus_impatiens_539_vs_Bombus_impatiens_347_shap_data.csv +++ /dev/null @@ -1,673 +0,0 @@ -feature,Bombus_impatiens|539_states,Bombus_impatiens|347_states,Bombus_impatiens|539_shap,Bombus_impatiens|347_shap,shap_difference,true_position,Bombus_impatiens|539_obs_aa,Bombus_impatiens|347_obs_aa,Bombus_impatiens|539_display,Bombus_impatiens|347_display,abs_shap_diff -p124_MASS,0.61,0.38,20.20847537457943,-50.753586557209495,70.96206193178892,125_MASS,I,A,113.1594,71.0788,70.96206193178892 -p285_H2,-0.5,0.06,9.505694695189595,-11.644557816311718,21.150252511501314,286_H2,L,G,-1.8,0.0,21.150252511501314 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deleted file mode 100644 index d1d1638b..00000000 --- a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Bombus_impatiens_539_vs_Bombus_impatiens_347_viz.svg +++ /dev/null @@ -1,2467 +0,0 @@ - - - - - - - - 2026-01-26T15:22:14.764792 - image/svg+xml - - - Matplotlib v3.9.2, https://matplotlib.org/ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 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a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Neogonodactylus_oerstedii_334_vs_Bombus_impatiens_347_shap_data.csv b/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Neogonodactylus_oerstedii_334_vs_Bombus_impatiens_347_shap_data.csv deleted file mode 100644 index 1b879e2d..00000000 --- a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Neogonodactylus_oerstedii_334_vs_Bombus_impatiens_347_shap_data.csv +++ /dev/null @@ -1,488 +0,0 @@ -feature,Neogonodactylus_oerstedii|334_states,Bombus_impatiens|347_states,Neogonodactylus_oerstedii|334_shap,Bombus_impatiens|347_shap,shap_difference,true_position,Neogonodactylus_oerstedii|334_obs_aa,Bombus_impatiens|347_obs_aa,Neogonodactylus_oerstedii|334_display,Bombus_impatiens|347_display,abs_shap_diff -p285_H2,-0.72,0.06,4.482874379083515,-11.644557816311718,16.127432195395233,286_H2,F,G,-2.5,0.0,16.127432195395233 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- - - - - - - - - - - - - - - - - - - diff --git a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Neogonodactylus_oerstedii_334_vs_Neogonodactylus_oerstedii_383_shap_data.csv b/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Neogonodactylus_oerstedii_334_vs_Neogonodactylus_oerstedii_383_shap_data.csv deleted file mode 100644 index aa87e2f5..00000000 --- a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Neogonodactylus_oerstedii_334_vs_Neogonodactylus_oerstedii_383_shap_data.csv +++ /dev/null @@ -1,474 +0,0 @@ -feature,Neogonodactylus_oerstedii|334_states,Neogonodactylus_oerstedii|383_states,Neogonodactylus_oerstedii|334_shap,Neogonodactylus_oerstedii|383_shap,shap_difference,true_position,Neogonodactylus_oerstedii|334_obs_aa,Neogonodactylus_oerstedii|383_obs_aa,Neogonodactylus_oerstedii|334_display,Neogonodactylus_oerstedii|383_display,abs_shap_diff 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a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Neogonodactylus_oerstedii_334_vs_Neogonodactylus_oerstedii_383_viz.svg b/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Neogonodactylus_oerstedii_334_vs_Neogonodactylus_oerstedii_383_viz.svg deleted file mode 100644 index f14e98d1..00000000 --- a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Neogonodactylus_oerstedii_334_vs_Neogonodactylus_oerstedii_383_viz.svg +++ /dev/null @@ -1,2528 +0,0 @@ - - - - - - - - 2026-01-26T15:22:12.161759 - image/svg+xml - - - Matplotlib v3.9.2, https://matplotlib.org/ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 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-p191_MASS,0.61,0.79,0.0,0.0,0.0,192_MASS,L,F,113.1594,147.1766,0.0 -p191_NCI,-0.36,-0.46,0.0,0.0,0.0,192_NCI,L,F,0.051672,0.037552,0.0 -p353_H3,0.0,1.0,0.0,0.0,0.0,347_H3,-,N,0.0,4.0,0.0 -p3_MASS,0.31,0.38,0.0,0.0,0.0,3_MASS,G,A,57.0519,71.0788,0.0 -p351_NCI,0.0,-0.32,0.0,0.0,0.0,345_NCI,-,V,0.0,0.057004,0.0 -p8_H3,0.5,1.0,0.0,0.0,0.0,8_H3,L,S,2.0,4.0,0.0 -p338_MASS,0.47,0.38,0.0,0.0,0.0,337_MASS,S,A,87.0782,71.0788,0.0 -p5_H3,1.0,0.0,0.0,0.0,0.0,5_H3,E,-,4.0,0.0,0.0 diff --git a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Neogonodactylus_oerstedii_383_vs_Bombus_impatiens_539_viz.svg b/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Neogonodactylus_oerstedii_383_vs_Bombus_impatiens_539_viz.svg deleted file mode 100644 index 385e43bb..00000000 --- a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/Neogonodactylus_oerstedii_383_vs_Bombus_impatiens_539_viz.svg +++ /dev/null @@ -1,2521 +0,0 @@ - - - - - - - - 2026-01-26T15:22:13.516917 - image/svg+xml - - - Matplotlib v3.9.2, https://matplotlib.org/ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - diff --git a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/shap_script_log.txt b/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/shap_script_log.txt deleted file mode 100644 index 3816d4d6..00000000 --- a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/shap_script_log.txt +++ /dev/null @@ -1,53 +0,0 @@ -Command executed: -GUI_Execution - - -SHAP Comparison: Neogonodactylus_oerstedii|334 vs Neogonodactylus_oerstedii|383 - Neogonodactylus_oerstedii|334 Prediction: 388.6nm || Neogonodactylus_oerstedii|383 Prediction: 381.7nm - Actual Pred difference: 6.90nm - Sum of SHAP difference: 6.91nm - -SHAP Comparison: Neogonodactylus_oerstedii|334 vs Bombus_impatiens|539 - Neogonodactylus_oerstedii|334 Prediction: 388.6nm || Bombus_impatiens|539 Prediction: 538.1nm - Actual Pred difference: -149.50nm - Sum of SHAP difference: -149.55nm - -SHAP Comparison: Neogonodactylus_oerstedii|334 vs Bombus_impatiens|424 - Neogonodactylus_oerstedii|334 Prediction: 388.6nm || Bombus_impatiens|424 Prediction: 443.5nm - Actual Pred difference: -54.90nm - Sum of SHAP difference: -54.89nm - -SHAP Comparison: Neogonodactylus_oerstedii|334 vs Bombus_impatiens|347 - Neogonodactylus_oerstedii|334 Prediction: 388.6nm || Bombus_impatiens|347 Prediction: 350.4nm - Actual Pred difference: 38.20nm - Sum of SHAP difference: 38.21nm - -SHAP Comparison: Neogonodactylus_oerstedii|383 vs Bombus_impatiens|539 - Neogonodactylus_oerstedii|383 Prediction: 381.7nm || Bombus_impatiens|539 Prediction: 538.1nm - Actual Pred difference: -156.40nm - Sum of SHAP difference: -156.46nm - -SHAP Comparison: Neogonodactylus_oerstedii|383 vs Bombus_impatiens|424 - Neogonodactylus_oerstedii|383 Prediction: 381.7nm || Bombus_impatiens|424 Prediction: 443.5nm - Actual Pred difference: -61.80nm - Sum of SHAP difference: -61.80nm - -SHAP Comparison: Neogonodactylus_oerstedii|383 vs Bombus_impatiens|347 - Neogonodactylus_oerstedii|383 Prediction: 381.7nm || Bombus_impatiens|347 Prediction: 350.4nm - Actual Pred difference: 31.30nm - Sum of SHAP difference: 31.30nm - -SHAP Comparison: Bombus_impatiens|539 vs Bombus_impatiens|424 - Bombus_impatiens|539 Prediction: 538.1nm || Bombus_impatiens|424 Prediction: 443.5nm - Actual Pred difference: 94.60nm - Sum of SHAP difference: 94.66nm - -SHAP Comparison: Bombus_impatiens|539 vs Bombus_impatiens|347 - Bombus_impatiens|539 Prediction: 538.1nm || Bombus_impatiens|347 Prediction: 350.4nm - Actual Pred difference: 187.70nm - Sum of SHAP difference: 187.76nm - -SHAP Comparison: Bombus_impatiens|424 vs Bombus_impatiens|347 - Bombus_impatiens|424 Prediction: 443.5nm || Bombus_impatiens|347 Prediction: 350.4nm - Actual Pred difference: 93.10nm - Sum of SHAP difference: 93.10nm diff --git a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/testing_gui_v2_prediction_diff_matrix.csv b/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/testing_gui_v2_prediction_diff_matrix.csv deleted file mode 100644 index 02202e57..00000000 --- a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/testing_gui_v2_prediction_diff_matrix.csv +++ /dev/null @@ -1,6 +0,0 @@ -,Neogonodactylus_oerstedii|334,Neogonodactylus_oerstedii|383,Bombus_impatiens|539,Bombus_impatiens|424,Bombus_impatiens|347 -Neogonodactylus_oerstedii|334,0.0,6.900000000000034,-149.5,-54.89999999999998,38.200000000000045 -Neogonodactylus_oerstedii|383,,0.0,-156.40000000000003,-61.80000000000001,31.30000000000001 -Bombus_impatiens|539,,,0.0,94.60000000000002,187.70000000000005 -Bombus_impatiens|424,,,,0.0,93.10000000000002 -Bombus_impatiens|347,,,,,0.0 diff --git a/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/testing_gui_v2_prediction_diff_matrix_for_excel.xlsx b/examples/optics_shap_on_testing_gui_v2_2026-01-26_15-21-47/testing_gui_v2_prediction_diff_matrix_for_excel.xlsx deleted file mode 100644 index cf8bb2596715c62e331ba6e7d1dcd897a16ecaf3..0000000000000000000000000000000000000000 GIT binary patch literal 0 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-Bombus_impatiens|539,538.1,66.34461194183444,399 -Bombus_impatiens|424,443.5,-28.311978842762763,401 -Bombus_impatiens|347,350.4,-121.41171750853886,393 diff --git a/examples/optics_struct_ex.txt b/examples/optics_struct_ex.txt new file mode 100644 index 00000000..d74ac3e4 --- /dev/null +++ b/examples/optics_struct_ex.txt @@ -0,0 +1,2 @@ +>U57536 +MNGTEGPYFYVPMVNTTGVVRSPYEYPQYYLVNPAAFAVLGAYMFFLIIFGFPINFLTLYVTLEHKKLRTPLNYILLNLAVADLFMVIGGFTTTMYSSMHGYFVLGRLGCNLEGFSATLGGMISLWSLAVLAIERWVVVCKPTSNFRFGENHAIMGVSLTWTMALACTVPPLVGWSRYIPEGMQCSCGIDYYTRAEGFNNESFVLYMFFCHFMVPLIIIFFCYGRLLCAVKEAAAAQQESETTQRAEREVTRMVILMVIGYLVCWLPYASVAWFIFTHQGSEFGPLFMTIPAFFAKSSSIYNPVIYICMNKQFRNCMITTLFCGKNPFEGEEEGASSTKTEASSASSVSPA \ No newline at end of file diff --git a/optics_shap.py b/optics_shap.py index b9aaf133..e3fc1d81 100644 --- a/optics_shap.py +++ b/optics_shap.py @@ -17,6 +17,9 @@ import xgboost import pandas as pd import numpy as np + +import matplotlib +matplotlib.use('Agg') import matplotlib.pyplot as plt import matplotlib.colors as mcolors from matplotlib.offsetbox import AnchoredText @@ -24,6 +27,8 @@ from openpyxl import Workbook from openpyxl.styles import PatternFill + + from deepBreaks.utils import load_obj from deepBreaks.preprocessing import read_data from optics_scripts.utils import extract_fasta_entries @@ -135,6 +140,20 @@ def _worker_process_shap_sequence(name, sequence, model_path, alignment_data, wr encoded_test = None new_seq_test = None + ali_names, ali_seqs = extract_fasta_entries(temp_ali_path) + if ali_seqs: + aligned_query_string = str(ali_seqs[-1]).split('\n')[1] + aligned_ref_string = str(ali_seqs[0]).split('\n')[1] + + # Find the equivalent position in the aligned sequence + ref_to_query_mapping = {} + for aligned_idx, char in enumerate(aligned_ref_string): + if (char != '-' and aligned_query_string[aligned_idx] != '-'): + ref_gaps = aligned_ref_string[:aligned_idx+1].count('-') + query_gaps = aligned_query_string[:aligned_idx+1].count('-') + ref_to_query_mapping.update({(aligned_idx+1-ref_gaps):(aligned_idx+1-query_gaps)}) + + # Load reference just to get the shape for slicing (optimization: could pass length, but this is safe) ref_copy = read_data(alignment_data, seq_type=seq_type, is_main=True, gap_threshold=0.50) last_seq = int(ref_copy.shape[0]) @@ -166,14 +185,12 @@ def _worker_process_shap_sequence(name, sequence, model_path, alignment_data, wr return sequence, None # Return format: (sequence_key, data_dict) - # We include 'encoded_seq' here which is NOT in the standard cache, - # but is needed for SHAP. We will separate them later. - # UPDATE: We now also include 'aligned_seq_df' to retrieve original Amino Acids. return sequence, { 'name': name, 'prediction': round(float(prediction[0]), 1), 'encoded_seq': encoded_test, 'aligned_seq_df': new_seq_test, # Raw aligned sequence (dataframe) for AA extraction + 'ref_to_query_map': ref_to_query_mapping, 'len': len(sequence) } @@ -323,7 +340,6 @@ def generate_shap_explanation( raise Exception("No sequences found in input file.") # --- Caching Setup --- - # We use 'reg_models' type for SHAP usually, matching the model dict model_type = 'reg_models' cache_dir = f"{wrk_dir}/data/cached_predictions/{model_type}/{model_version}/{encoding_method}" os.makedirs(cache_dir, exist_ok=True) @@ -341,18 +357,12 @@ def generate_shap_explanation( alignment_data = model_datasets[model] model_path = model_directories[model] - # Prepare list of sequences to process - # We create a tuple: (name, sequence, cached_prediction_value_or_None) sequences_to_process = [] - - # Track how many we found in cache for the user's info cached_count = 0 for name, seq in zip(names, sequences): cached_val = None if seq in cached_pred_dict: - # Retrieve the 'single_prediction' from the cache dict - # Expected format: {'len': 500, 'single_prediction': 495.2, ...} cached_val = cached_pred_dict[seq].get('single_prediction') cached_count += 1 @@ -366,20 +376,18 @@ def generate_shap_explanation( print(f"Processing {len(sequences_to_process)} sequences (alignment & encoding required for all)...\n") with tqdm_joblib(tqdm(total=len(sequences_to_process), desc="Processing Sequences", unit="seq", bar_format="{l_bar}{bar:25}| {n_fmt}/{total_fmt} [{elapsed}<{remaining}, {rate_fmt}{postfix}]")) as pbar: - # We pass the cached_val to the worker mp_results = Parallel(n_jobs=n_jobs, backend='loky')( delayed(_worker_process_shap_sequence)( name, seq, model_path, alignment_data, wrk_dir, cached_val ) for name, seq, cached_val in sequences_to_process ) - # Process results from workers newly_predicted_count = 0 valid_processed_data = [] names = [] predictions = [] seq_lens_list = [] - + for seq_key, result_data in mp_results: if result_data: valid_processed_data.append(result_data) @@ -388,7 +396,6 @@ def generate_shap_explanation( predictions.append(result_data['prediction']) seq_lens_list.append(result_data['len']) - # Update cache only if it wasn't there before if seq_key not in cached_pred_dict: cached_pred_dict[seq_key] = { 'len': result_data['len'], @@ -398,7 +405,6 @@ def generate_shap_explanation( else: print(f"Failed to process sequence: {seq_key[:20]}...") - # Update Cache File if newly_predicted_count > 0: print(f"Saving {newly_predicted_count} new predictions to cache file...") try: @@ -412,11 +418,8 @@ def generate_shap_explanation( # --- Setup SHAP Explainer (Once) --- print("\nInitializing SHAP Explainer (Loading reference dataset)...") - # Load the model in main thread for SHAP loaded_mod = load_obj(model_path) - # We must load the background data for the TreeExplainer - # We do this once here instead of inside the loop ref_seq_type = 'aa' ref_df = read_data(alignment_data, seq_type=ref_seq_type, is_main=True, gap_threshold=0.50) encoded_refs = loaded_mod[0].transform(ref_df) @@ -425,10 +428,20 @@ def generate_shap_explanation( base_value = explainer.expected_value print(f"SHAP Base Value (Average Predicted λmax): {float(base_value):.1f} nm") + # --- Load Translation Dictionary (Mandatory for True Positions) --- + # We load this even if use_reference_sites is False for plotting, + # because we need it for the output CSV column. + try: + site_translation_df = pd.read_csv(imp_report_directory) + site_translation_dict = dict(zip(site_translation_df['feature'], site_translation_df['true_position'])) + print("Site translation dictionary loaded for 'reference_position' mapping.") + except Exception as e: + print(f"Warning: Could not load site translation file ({imp_report_directory}). 'true_position' column will default to feature names.") + site_translation_dict = None + # --- Calculate SHAP Values --- print(f"Calculating SHAP values for {len(valid_processed_data)} sequences...") - # We iterate and calculate SHAP. final_data_for_plotting = [] shap_value_pred_list = [] @@ -440,7 +453,8 @@ def generate_shap_explanation( 'name': item['name'], 'prediction': item['prediction'], 'encoded_seq': encoded_seq, - 'aligned_seq_df': item['aligned_seq_df'], # Include aligned DF for AA extraction + 'aligned_seq_df': item['aligned_seq_df'], + 'ref_to_query_map': item['ref_to_query_map'], 'shap_values': shap_values }) @@ -450,112 +464,30 @@ def generate_shap_explanation( 'SHAP_Prediction': shap_value_pred_list, 'Sequence_Length': seq_lens_list, }) - # Write the prediction resultss to csv file for good posterity of the user just_prediction_data.to_csv(f'{report_dir}/{clean_output_name}_predictions.csv', sep=',', index=False) - # --- Prediction Matrix Generation (All-to-All Top Triangle) --- + # --- Prediction Matrix Generation --- if len(final_data_for_plotting) > 1: - print("\nCalculating All-to-All Prediction Differences Matrix...") + # (Same matrix logic as original) names_list = [d['name'] for d in final_data_for_plotting] preds_list = [d['prediction'] for d in final_data_for_plotting] n_seqs = len(names_list) - - # Initialize matrix with NaNs diff_matrix = np.full((n_seqs, n_seqs), np.nan) - for i in range(n_seqs): for j in range(n_seqs): - # Calculate difference for top triangle (including diagonal) - # Matrix[i, j] = Pred[i] - Pred[j] if i <= j: diff_matrix[i, j] = preds_list[i] - preds_list[j] - diff_df = pd.DataFrame(diff_matrix, index=names_list, columns=names_list) - - # Save standard CSV diff_df.to_csv(f'{report_dir}/{clean_output_name}_prediction_diff_matrix.csv') - - # Save Excel with color coding (Heatmap style) - try: - #print(f"Generating color-coded Excel matrix...") - excel_path = f'{report_dir}/{clean_output_name}_prediction_diff_matrix_for_excel.xlsx' - - # Use matplotlib to generate colors map - - # Flatten values to find min/max for color scaling, ignoring NaNs - valid_vals = diff_matrix[~np.isnan(diff_matrix)] - - if len(valid_vals) > 0: - # Center colormap at 0 (white) for difference matrix logic - # Find largest absolute deviation to make scale symmetric - max_abs = np.max(np.abs(valid_vals)) - if max_abs == 0: max_abs = 1.0 # Avoid division by zero - - norm = mcolors.Normalize(vmin=-max_abs, vmax=max_abs) - cmap = plt.get_cmap('coolwarm') - - wb = Workbook() - ws = wb.active - ws.title = "Prediction Differences" - - # Write Header Row - ws.append([''] + names_list) - - for i in range(n_seqs): - row_name = names_list[i] - - # Prepare row values. Convert np.nan to "" for cleaner Excel - row_data_cleaned = [] - for j in range(n_seqs): - val = diff_matrix[i, j] - if np.isnan(val): - row_data_cleaned.append("") - else: - row_data_cleaned.append(val) - - # Append Row - ws.append([row_name] + row_data_cleaned) - - # Apply Colors - for j in range(n_seqs): - val = diff_matrix[i, j] - if not np.isnan(val): - # Get RGBA from cmap - rgba = cmap(norm(val)) - # Convert to Hex (remove #) - hex_color = mcolors.to_hex(rgba).replace('#', '') - - # Apply Fill - # Row: i + 2 (1-based index: +1 for 0-idx, +1 for header) - # Col: j + 2 (1-based index: +1 for 0-idx, +1 for Name column) - ws.cell(row=i+2, column=j+2).fill = PatternFill( - start_color=hex_color, - end_color=hex_color, - fill_type="solid" - ) - - wb.save(excel_path) - #print(f"Saved color-coded prediction matrix to: {excel_path}") - - except Exception as e: - print(f"Could not save formatted Excel matrix (requires openpyxl): {e}") - import traceback - traceback.print_exc() - print(f"Standard CSV matrix saved.") - - # --- Visualization Modes --- - if use_reference_sites == True and model!="type-one": - site_translation_df = pd.read_csv(imp_report_directory) - site_translation_dict = dict(zip(site_translation_df['feature'],site_translation_df['true_position'])) - else: - site_translation_dict = None + # --- Visualization & Data Saving --- # MODE: SINGLE if mode in ['single', 'both']: print("\n--- Generating Individual SHAP Explanations ---") for data in final_data_for_plotting: save_single_plot( - data, base_value, report_dir, save_as, encoding_method, site_translation_dict, ref_seq_name, n_positions + data, base_value, report_dir, save_as, encoding_method, + site_translation_dict, ref_seq_name, n_positions, use_reference_sites ) # MODE: COMPARISON @@ -565,17 +497,17 @@ def generate_shap_explanation( else: pairs = list(itertools.combinations(final_data_for_plotting, 2)) print(f"\n--- Generating Pairwise Comparisons ({len(pairs)} pairs) ---") - for seq1_data, seq2_data in pairs: save_comparison_plot( seq1_data, seq2_data, report_dir, save_as, encoding_method, - cmd_line, log_file_path if cmd_line else None, site_translation_dict, ref_seq_name, n_positions + cmd_line, log_file_path if cmd_line else None, + site_translation_dict, ref_seq_name, n_positions, use_reference_sites ) print(f"\nAnalysis complete. Results saved to: {report_dir}") -def save_single_plot(data, base_value, report_dir, save_as, encoding_method, site_translation_dict, ref_seq_name, n_positions): +def save_single_plot(data, base_value, report_dir, save_as, encoding_method, site_translation_dict, ref_seq_name, n_positions, use_reference_sites_for_plot): """Generates and saves a bar plot explaining the prediction of a single sequence.""" name = data['name'] @@ -583,32 +515,65 @@ def save_single_plot(data, base_value, report_dir, save_as, encoding_method, sit shap_vals = data['shap_values'][0] features = data['encoded_seq'] aligned_df = data['aligned_seq_df'] + ref_to_query_dict = data['ref_to_query_map'] + + # 1. Generate the 'reference_position' list (Reference Numbering) + # This is critical for structure mapping, so we do it even if not plotting it. + reference_position_col = [] + query_position_col = [] if isinstance(site_translation_dict, dict): if encoding_method == "one_hot": - trans_site_list = [] for feature in features.columns: try: - trans_site_list.append(f"{site_translation_dict[int(feature.split('_')[0][1:])]:.0f}_{feature.split('_')[1]}") + # Extract numeric part P123_H -> 123 + pos_idx = int(feature[1:].split('_')[0]) + mapped_pos = site_translation_dict.get(pos_idx, feature) + query_pos = ref_to_query_dict.get(mapped_pos,'NA') + query_position_col.append(query_pos) + + # Format: 123_H + if isinstance(mapped_pos, (int, float)): + reference_position_col.append(f"{mapped_pos:.0f}_{feature.split('_')[1]}") + else: + reference_position_col.append(str(mapped_pos)) except: - #print(f'Exception was triggered for {feature}') - trans_site_list.append(feature) + reference_position_col.append(feature) + query_position_col.append('NA') + else: - trans_site_list = [f"{site_translation_dict[feature[1:]]:.0f}_{feature.split('_')[1]}" for feature in features.columns] - - df = pd.DataFrame({ - 'feature': features.columns, - 'state': features.values[0], - 'shap_effect': shap_vals, - 'true_position': trans_site_list - }) + # AA Prop: P123_Hydrophobicity + for feature in features.columns: + try: + pos_idx = feature[1:] # P123 -> 123 + mapped_pos = site_translation_dict.get(pos_idx, feature) + #print(f'this is the mapped poistion...{mapped_pos}') + query_pos = ref_to_query_dict.get(int(mapped_pos),'NA') + #print(f'this is the query position...{query_pos}') + query_position_col.append(query_pos) + + # Format: 123_Hydrophobicity + if isinstance(mapped_pos, (int, float)): + reference_position_col.append(f"{mapped_pos:.0f}_{feature.split('_')[1]}") + else: + reference_position_col.append(str(mapped_pos)) + except: + reference_position_col.append(feature) + query_position_col.append('NA') + else: - df = pd.DataFrame({ - 'feature': features.columns, - 'state': features.values[0], - 'shap_effect': shap_vals, - 'true_position': features.columns # Fallback - }) + reference_position_col = features.columns.tolist() + query_position_col.append('NA' for feats in reference_position_col) + print('Site translation not working...') + + # Create DataFrame + df = pd.DataFrame({ + 'feature': features.columns, + 'state': features.values[0], + 'shap_effect': shap_vals, + 'reference_position': reference_position_col, + 'query_position': query_position_col + }) # Add Observed Amino Acid Column obs_aas = [] @@ -616,7 +581,7 @@ def save_single_plot(data, base_value, report_dir, save_as, encoding_method, sit obs_aas.append(get_obs_aa(feat, aligned_df, encoding_method)) df['observed_aa'] = obs_aas - # Add display values (non-scaled for aa_prop, original for one_hot) + # Add display values display_values = [] for idx, row in df.iterrows(): display_val = get_property_display_value(row['feature'], row['state'], row['observed_aa'], encoding_method) @@ -625,7 +590,7 @@ def save_single_plot(data, base_value, report_dir, save_as, encoding_method, sit df['abs_shap'] = df['shap_effect'].abs() - # Save full data to CSV with observed AA + # Save full data to CSV with observed AA and TRUE POSITIONS safe_name = name.replace('|', '_').replace('/', '_') df.sort_values(by='abs_shap', ascending=False).to_csv(f'{report_dir}/{safe_name}_shap_analysis.csv', index=False) @@ -639,29 +604,29 @@ def save_single_plot(data, base_value, report_dir, save_as, encoding_method, sit colors = ["#30c898d9" if x < 0 else "#f4a365ec" for x in df['shap_effect']] - if isinstance(site_translation_dict, dict): - bars = ax.barh(df['true_position'], df['shap_effect'], color=colors) + # Select Y-axis labels based on user preference + if use_reference_sites_for_plot and isinstance(site_translation_dict, dict): + y_labels = df['reference_position'] + y_axis_title = f'Amino Acid Position ({ref_seq_name} Reference)' else: - bars = ax.barh(df['feature'], df['shap_effect'], color=colors) + y_labels = df['feature'] + y_axis_title = 'Feature' + + bars = ax.barh(y_labels, df['shap_effect'], color=colors) for i, bar in enumerate(bars): display_val = df['display_value'].iloc[i] obs_aa = df['observed_aa'].iloc[i] - # Format label: Display Value (AA) - if encoding_method == 'aa_prop' and 'SCT' not in df['feature']: - # For aa_prop, format as float with appropriate precision + if encoding_method == 'aa_prop' and 'SCT' not in df['feature'].iloc[i]: try: - # Check if it's a number that can be formatted float_val = float(display_val) - val_str = f"{float_val:.2f}" # Always 2 decimal places for properties + val_str = f"{float_val:.2f}" except: val_str = str(display_val) else: - # For one_hot, just show as integer val_str = f"{int(display_val)}" - # Add AA if successfully retrieved label_str = f" {val_str} ({obs_aa}) " if obs_aa != "?" else f" {val_str} " ax.text(0, bar.get_y() + bar.get_height()/2, label_str, @@ -670,13 +635,8 @@ def save_single_plot(data, base_value, report_dir, save_as, encoding_method, sit ax.axvline(0, color='grey', linewidth=2, linestyle='--') ax.set_xlabel(r'Impact on Predicted $λ_{max}$ (nm)', fontsize=13) - - if isinstance(site_translation_dict, dict): - ax.set_ylabel(f'Amino Acid Position ({ref_seq_name} Reference)', fontsize=13) - else: - ax.set_ylabel('Feature', fontsize=13) + ax.set_ylabel(y_axis_title, fontsize=13) - #ax.set_title(f'SHAP Explanation: {name}\nPrediction: {prediction:.2f}nm | Base Shap Value: {float(base_value):.2f}nm', fontsize=13) ymin, ymax = ax.get_ylim() xmin, xmax = ax.get_xlim() @@ -691,7 +651,6 @@ def save_single_plot(data, base_value, report_dir, save_as, encoding_method, sit if encoding_method == 'one_hot': legend_text = "1 = Present // 0 = Absent" - anchored_text = AnchoredText(legend_text, loc='lower right', prop=dict(size=10, ha='right'), frameon=True, pad=0.5, borderpad=0.5) @@ -707,31 +666,45 @@ def save_single_plot(data, base_value, report_dir, save_as, encoding_method, sit plt.close() -def save_comparison_plot(seq1, seq2, report_dir, save_as, encoding_method, cmd_line=None, log_path=None, site_translation_dict=None, ref_seq_name="Bovine", n_positions=10): - """Generates and saves a comparative SHAP plot (Sequence 1 vs Sequence 2).""" +def save_comparison_plot(seq1, seq2, report_dir, save_as, encoding_method, cmd_line=None, log_path=None, site_translation_dict=None, ref_seq_name="Bovine", n_positions=10, use_reference_sites_for_plot=False): + """Generates and saves a comparative SHAP plot.""" name1 = seq1['name'] name2 = seq2['name'] - shap_diff = seq1['shap_values'][0] - seq2['shap_values'][0] feat1_vals = seq1['encoded_seq'].values[0] feat2_vals = seq2['encoded_seq'].values[0] cols = seq1['encoded_seq'].columns - mask = (feat1_vals != feat2_vals) + # Generate True Positions for masking + masked_true_pos = [] + if isinstance(site_translation_dict, dict): + masked_cols = np.array(cols)[mask] if encoding_method == "one_hot": - trans_site_list = [] - for feature in np.array(cols)[mask]: + for feature in masked_cols: try: - trans_site_list.append(f"{site_translation_dict[int(feature.split('_')[0][1:])]:.0f}_{feature.split('_')[1]}") + pos_idx = int(feature[1:].split('_')[0]) + mapped_pos = site_translation_dict.get(pos_idx, feature) + if isinstance(mapped_pos, (int, float)): + masked_true_pos.append(f"{mapped_pos:.0f}_{feature.split('_')[1]}") + else: + masked_true_pos.append(str(mapped_pos)) except: - print(f'Exception was triggered for {feature}') - trans_site_list.append(feature) + masked_true_pos.append(feature) else: - trans_site_list = [f"{site_translation_dict[feature[1:]]:.0f}_{feature.split('_')[1]}" for feature in np.array(cols)[mask]] + for feature in masked_cols: + try: + pos_idx = feature[1:] + mapped_pos = site_translation_dict.get(pos_idx, feature) + if isinstance(mapped_pos, (int, float)): + masked_true_pos.append(f"{mapped_pos:.0f}_{feature.split('_')[1]}") + else: + masked_true_pos.append(str(mapped_pos)) + except: + masked_true_pos.append(feature) comparison_df = pd.DataFrame({ 'feature': np.array(cols)[mask], @@ -740,7 +713,7 @@ def save_comparison_plot(seq1, seq2, report_dir, save_as, encoding_method, cmd_l f'{name1}_shap': seq1['shap_values'][0][mask], f'{name2}_shap': seq2['shap_values'][0][mask], 'shap_difference': shap_diff[mask], - 'true_position': trans_site_list + 'reference_position': masked_true_pos }) else: comparison_df = pd.DataFrame({ @@ -749,17 +722,17 @@ def save_comparison_plot(seq1, seq2, report_dir, save_as, encoding_method, cmd_l f'{name2}_states': feat2_vals[mask], f'{name1}_shap': seq1['shap_values'][0][mask], f'{name2}_shap': seq2['shap_values'][0][mask], - 'shap_difference': shap_diff[mask] + 'shap_difference': shap_diff[mask], + 'reference_position': np.array(cols)[mask] # Fallback }) if encoding_method == 'one_hot': comparison_df[f'{name1}_states'] = comparison_df[f'{name1}_states'].astype(int) comparison_df[f'{name2}_states'] = comparison_df[f'{name2}_states'].astype(int) - # Get Observed Amino Acids for both sequences + # Get Observed Amino Acids obs_aa_1 = [] obs_aa_2 = [] - for feat in comparison_df['feature']: obs_aa_1.append(get_obs_aa(feat, seq1['aligned_seq_df'], encoding_method)) obs_aa_2.append(get_obs_aa(feat, seq2['aligned_seq_df'], encoding_method)) @@ -767,17 +740,15 @@ def save_comparison_plot(seq1, seq2, report_dir, save_as, encoding_method, cmd_l comparison_df[f'{name1}_obs_aa'] = obs_aa_1 comparison_df[f'{name2}_obs_aa'] = obs_aa_2 - # Add display values for both sequences + # Display values display_vals_1 = [] display_vals_2 = [] - for idx, row in comparison_df.iterrows(): display_vals_1.append(get_property_display_value(row['feature'], row[f'{name1}_states'], row[f'{name1}_obs_aa'], encoding_method)) display_vals_2.append(get_property_display_value(row['feature'], row[f'{name2}_states'], row[f'{name2}_obs_aa'], encoding_method)) comparison_df[f'{name1}_display'] = display_vals_1 comparison_df[f'{name2}_display'] = display_vals_2 - comparison_df['abs_shap_diff'] = comparison_df['shap_difference'].abs() safe_n1 = name1.replace('|', '_') @@ -785,70 +756,55 @@ def save_comparison_plot(seq1, seq2, report_dir, save_as, encoding_method, cmd_l csv_name = f'{safe_n1}_vs_{safe_n2}_shap_data.csv' comparison_df.sort_values(by='abs_shap_diff', ascending=False).to_csv(f'{report_dir}/{csv_name}', index=False) - pred_diff = seq1['prediction'] - seq2['prediction'] - log_msg = (f"\nSHAP Comparison: {name1} vs {name2}\n" - f"\t{name1} Prediction: {seq1['prediction']}nm || {name2} Prediction: {seq2['prediction']}nm\n" - f"\tActual Pred difference: {pred_diff:.2f}nm\n" - f"\tSum of SHAP difference: {shap_diff.sum():.2f}nm\n") - print(log_msg) - if log_path: - with open(log_path, 'a') as f: - f.write(log_msg) - comparison_df = comparison_df.sort_values(by='abs_shap_diff', ascending=False).head(n_positions) comparison_df = comparison_df.sort_values(by='shap_difference') if comparison_df.empty: return + plt.rcParams['font.family'] = 'sans-serif' plt.rcParams['font.sans-serif'] = ['Century Gothic', 'Avenir', 'Helvetica', 'DejaVu Sans', 'Arial'] fig, ax = plt.subplots(figsize=(12, 6)) colors = ["#30c898d9" if x < 0 else "#f4a365ec" for x in comparison_df['shap_difference']] - # changing the amino acid change effects to the inverse sign, so that a transition from state 1 -> state 2 will reflect a decrease in predicted lmax if seq 1 > seq 2 - if isinstance(site_translation_dict, dict): - bars = ax.barh(comparison_df['true_position'], -comparison_df['shap_difference'], color=colors) + # Plotting Axis selection + if use_reference_sites_for_plot and isinstance(site_translation_dict, dict): + bars = ax.barh(comparison_df['reference_position'], -comparison_df['shap_difference'], color=colors) + y_label = f'Amino Acid Position ({ref_seq_name} Reference)' else: bars = ax.barh(comparison_df['feature'], -comparison_df['shap_difference'], color=colors) - + y_label = 'Feature' for i, bar in enumerate(bars): display_a = comparison_df[f'{name1}_display'].iloc[i] display_b = comparison_df[f'{name2}_display'].iloc[i] - obs_a = comparison_df[f'{name1}_obs_aa'].iloc[i] obs_b = comparison_df[f'{name2}_obs_aa'].iloc[i] - # Format display values based on encoding method if encoding_method == 'aa_prop' and 'SCT' not in comparison_df['feature'].iloc[i]: try: val_str_a = f"{float(display_a):.2f}" - except: - val_str_a = str(display_a) + except: val_str_a = str(display_a) try: val_str_b = f"{float(display_b):.2f}" - except: - val_str_b = str(display_b) + except: val_str_b = str(display_b) else: val_str_a = f"{int(display_a):.0f}" val_str_b = f"{int(display_b):.0f}" label = f" {val_str_a} ({obs_a}) → {val_str_b} ({obs_b}) " - ax.text(0, bar.get_y() + bar.get_height()/2, label, va='center', ha='right' if bar.get_width() < 0 else 'left', color='black', fontweight='bold', fontsize=10) ax.axvline(0, color='grey', linewidth=2, linestyle='--') ax.set_xlabel(r'Contribution to Difference in Predicted $λ_{max}$ (nm)', fontsize=13) - if isinstance(site_translation_dict, dict): - ax.set_ylabel(f'Amino Acid Position ({ref_seq_name} Reference)', fontsize=13) - else: - ax.set_ylabel('Feature', fontsize=12) + ax.set_ylabel(y_label, fontsize=12) ymin, ymax = ax.get_ylim() xmin, xmax = ax.get_xlim() - + pred_diff = seq1['prediction'] - seq2['prediction'] + ax.set_ylim(ymin, ymax + 0.80) ax.text((xmin + xmax)/2, ymax + 0.55, f"{name1} ({seq1['prediction']}) → {name2} ({seq2['prediction']})\n({pred_diff:.1f}nm Difference in Predicted " + r"$λ_{max}$)", @@ -858,10 +814,8 @@ def save_comparison_plot(seq1, seq2, report_dir, save_as, encoding_method, cmd_l ax.tick_params(axis='y', labelrotation=45, labelsize=12) ax.tick_params(axis='x', labelsize=12) - if encoding_method == 'one_hot': legend_text = "1 = Present // 0 = Absent" - anchored_text = AnchoredText(legend_text, loc='lower right', prop=dict(size=10, ha='right'), frameon=True, pad=0.5, borderpad=0.5) @@ -882,21 +836,14 @@ def save_comparison_plot(seq1, seq2, report_dir, save_as, encoding_method, cmd_l parser.add_argument("-i", "--input", help="Path to FASTA file", type=str, required=True) parser.add_argument("-o", "--output_dir", help="Directory to save output", type=str, default=None) parser.add_argument("-p", "--prediction_prefix", help="Prefix for filenames", type=str, default="unnamed") - parser.add_argument("--mode", - help="Analysis mode: 'comparison' (pairwise), 'single' (individual), or 'both'.", - type=str, default="both", choices=['comparison', 'single', 'both']) - + parser.add_argument("--mode", help="Analysis mode: 'comparison', 'single', 'both'.", type=str, default="both", choices=['comparison', 'single', 'both']) parser.add_argument("-v", "--model_version", help="Model version", type=str, default="vpod_1.3", choices=['vpod_1.3']) parser.add_argument("-m", "--model", help="Prediction model", type=str, default="whole-dataset") parser.add_argument("-e", "--encoding", help="Encoding method", type=str, default="aa_prop", choices=['one_hot', 'aa_prop']) - parser.add_argument("--n_positions", help="Number of positions to show on SHAP explanation graphs. Default=10 to limit noisiness.", type=int, default=10) + parser.add_argument("--n_positions", help="Number of positions to show on SHAP explanation graphs.", type=int, default=10) parser.add_argument("--save_viz_as", help="File type", type=str, default="svg", choices=['svg','png','pdf']) - parser.add_argument("--use_reference_sites", help="Use reference site numbering, instead of feature names", action="store_true") - - parser.add_argument("--n_jobs", - help="Number of parallel processes to run. -1 (default) uses all available.", - type=int, - default=-1) + parser.add_argument("--use_reference_sites", help="Use reference site numbering on plots", action="store_true") + parser.add_argument("--n_jobs", help="Number of parallel processes.", type=int, default=-1) args = parser.parse_args() command_run = " ".join(sys.argv) diff --git a/optics_structure_map.py b/optics_structure_map.py index 6378f683..a6ee9ce4 100644 --- a/optics_structure_map.py +++ b/optics_structure_map.py @@ -7,7 +7,8 @@ import numpy as np import re import warnings -import urllib.request # Added to support online PDB fetching +import urllib.request +import pathlib # --- Configuration & Reasoning --- # PDB files are fixed-width text files (Fortran style). @@ -18,13 +19,6 @@ def fetch_pdb_from_rcsb(pdb_id, save_dir): """ Downloads a PDB file from the RCSB database if it is not found locally. - - Args: - pdb_id (str): The 4-character PDB accession code (e.g., '1U19'). - save_dir (str): Directory to save the downloaded file. - - Returns: - str: Path to the downloaded file, or None if failed. """ pdb_id = pdb_id.upper() url = f"https://files.rcsb.org/download/{pdb_id}.pdb" @@ -34,34 +28,25 @@ def fetch_pdb_from_rcsb(pdb_id, save_dir): print(f" - Source: {url}") try: - # User-agent is sometimes required by strict servers, though RCSB is usually lenient. - # using standard urllib.request.urlretrieve is the simplest method for "No Heavy Dependencies" urllib.request.urlretrieve(url, dest_path) - - # Verify download wasn't an HTML error page (basic check) if os.path.exists(dest_path) and os.path.getsize(dest_path) > 0: print(f" - Download successful: {dest_path}") return dest_path else: print(f" - Download failed (empty file).") return None - except Exception as e: print(f" - Download failed: {e}") return None -def parse_shap_csv(shap_csv_path, encoding_method='aa_prop'): +def parse_shap_csv(shap_csv_path, use_query_positions=False): """ Parses the SHAP analysis CSV generated by optics_shap.py. - Logic: - 1. Reads the CSV containing 'feature' and 'shap_effect' (or 'abs_shap'). - 2. Extracts the residue position from the feature name. - - Expected AA_PROP format: "P123_Hydrophobicity" -> Pos 123 - - Expected ONE_HOT format: "123_A" or "A123_..." -> Pos 123 - 3. Aggregates values: A single residue may have multiple features (mass, charge, etc.). - We sum the ABSOLUTE SHAP values to determine total importance of that site. - + Args: + shap_csv_path: Path to CSV. + use_query_position: If True, uses the 'query_position' column (Bovine Numbering) as the key. + If False, uses the input feature numbering. Returns: dict: {residue_number (int): aggregated_importance_score (float)} """ @@ -70,61 +55,51 @@ def parse_shap_csv(shap_csv_path, encoding_method='aa_prop'): except FileNotFoundError: raise FileNotFoundError(f"Could not find SHAP data file: {shap_csv_path}") - # Validation: Ensure required columns exist - # usage of 'shap_effect' allows us to calculate magnitude ourselves - if 'true_position' in df.columns: - required_cols = {'true_position', 'shap_effect'} - else: - required_cols = {'feature', 'shap_effect'} + if not {'shap_effect'}.issubset(df.columns) and not {'abs_shap'}.issubset(df.columns): + raise ValueError("CSV must contain 'shap_effect' or 'abs_shap' columns.") - if not required_cols.issubset(df.columns): - # Fallback to abs_shap if shap_effect isn't there, or error out - if 'abs_shap' in df.columns and 'feature' in df.columns: - pass # We are good + # Determine which column to parse for position info + if use_query_positions: + if 'query_position' in df.columns: + target_col = 'query_position' + print(" - Using 'query_position' column for mapping .") else: - raise ValueError(f"CSV must contain columns: {required_cols}") + print(" - WARNING: 'query_position' column not found.\nEither re-run 'optics_shap' to obtain this or opt to map SHAP values to default Bovine Rho structure...") + raise(ValueError("'query_position' column not found.\nEither re-run 'optics_shap' to obtain this or opt to map SHAP values to default Bovine Rho structure...")) + else: + # Fallback to feature/query_position based on what optics_shap usually outputs for 'query_position' argument + # But specifically here, if use_query_position is False, we likely want the raw feature index input + target_col = 'reference_position' + print(" - Using 'reference_position' column for mapping (Reference/Bovine Numbering).") importance_map = {} for _, row in df.iterrows(): - - if 'true_position' in df.columns: - feature_name = str(row['true_position']) - else: - feature_name = str(row['feature']) - - - # --- Feature Name Parsing Logic --- - # We need to extract the numeric position from strings like "P123_H1" or "123_A". - # We use Regex to find the first sequence of digits. + feature_name = str(row[target_col]) + + # Regex to find the first sequence of digits (e.g., "123_H" -> 123) match = re.search(r'(\d+)', feature_name) - if match: - residue_pos = int(match.group(1)) + if match or use_query_positions: + if use_query_positions: + residue_pos= float(feature_name) + else: + residue_pos = int(match.group(1)) - # Get magnitude of importance (absolute value) - # We care about impact, not direction (red/blue shift) for the structure map if 'abs_shap' in row: impact = row['abs_shap'] else: impact = abs(row['shap_effect']) - # Aggregate: Add to existing total for this residue if residue_pos in importance_map: importance_map[residue_pos] += impact else: importance_map[residue_pos] = impact - else: - # Skip features that don't map to a specific residue (e.g., global descriptors if any) - continue return importance_map def normalize_importance(importance_map, target_min=0, target_max=100): - """ - Normalizes the aggregated importance scores to a 0-100 range (Standard B-factor range). - This makes visualization in tools like PyMOL much easier (e.g., 'spectrum b'). - """ + """Normalizes the aggregated importance scores to a 0-100 range.""" if not importance_map: return {} @@ -132,113 +107,120 @@ def normalize_importance(importance_map, target_min=0, target_max=100): min_val = min(raw_values) max_val = max(raw_values) - # Avoid division by zero if all scores are identical if max_val - min_val == 0: return {k: target_max for k in importance_map} norm_map = {} for pos, val in importance_map.items(): - # Min-Max normalization formula norm_val = ((val - min_val) / (max_val - min_val)) * (target_max - target_min) + target_min norm_map[pos] = norm_val return norm_map -def map_importance_to_pdb(pdb_input_path, output_path, importance_map, offset=0, default_b=0.00): +def map_importance_to_pdb(pdb_input_path, output_path, importance_map, chain_id='A', default_b=0.00): """ Reads a PDB file line-by-line and writes a new file with modified B-factors. Args: - pdb_input_path: Path to template PDB. - output_path: Path to save the new PDB. - importance_map: Dict of {residue_id: score}. - offset: Integer to adjust PDB numbering vs Alignment numbering. - (e.g., if PDB starts at 1 but Alignment starts at 20, offset is -19). - default_b: Value to use if a residue is in PDB but not in SHAP data. + chain_id: The specific chain to map to (e.g. 'A'). If None or 'all', maps to all chains. """ + chain_filter = chain_id.upper() if chain_id and chain_id.lower() != 'all' else None + with open(pdb_input_path, 'r') as f_in, open(output_path, 'w') as f_out: for line in f_in: - # We only modify lines starting with ATOM or HETATM if line.startswith("ATOM") or line.startswith("HETATM"): try: - # --- PDB Column Parsing (Standard v3.3) --- - # Columns 23-26: Residue Sequence Number (Integer) - # Columns 61-66: Temperature Factor (Real 6.2) + # PDB Format: Column 22 is chain identifier (index 21 in 0-based string) + line_chain = line[21].upper() + if chain_filter and line_chain != chain_filter: + # Write line unchanged if it's not the target chain + f_out.write(line) + continue + + # Columns 23-26: Residue Sequence Number res_seq_str = line[22:26].strip() - pdb_res_id = int(res_seq_str) - - # Calculate the corresponding ID in our SHAP map - # Logic: Alignment_ID = PDB_ID + Offset - # (Users might need to tweak offset depending on their specific alignment) - target_id = pdb_res_id + offset - - # Get new B-factor value + target_id = int(res_seq_str) + new_b_factor = importance_map.get(target_id, default_b) - # --- Reconstruction --- - # Slice the line to preserve exact formatting (PDBs are strict) - # Pre-B-factor part (Cols 1-60) + # Construct new line line_prefix = line[:60] - # Post-B-factor part (Cols 67-End) line_suffix = line[66:] - - # Format new B-factor as string (width 6, 2 decimal places) b_factor_str = f"{new_b_factor:6.2f}" f_out.write(f"{line_prefix}{b_factor_str}{line_suffix}") except ValueError: - # If parsing fails (e.g. insertion codes), write line unchanged f_out.write(line) else: - # Write header/footer lines unchanged f_out.write(line) print(f"Successfully created structural heatmap: {output_path}") - -def run_structural_mapping(shap_csv, pdb_input, output_dir=None, offset=0): +def run_structural_mapping(shap_csv, pdb_input=None, output_dir=None, use_query_position=False, chain='A'): """ - Main orchestration function. Can be imported by GUI. + Main orchestration function. Args: shap_csv (str): Path to CSV data. - pdb_input (str): Path to local PDB OR a PDB ID (e.g. "1U19"). + pdb_input (str): Path to local PDB OR a PDB ID. If None, defaults to '1U19'. output_dir (str): Destination for outputs. - offset (int): alignment offset. + use_query_position (bool): Map to query/target sequence if True (requires SHAP CSV to have query_position column), otherwise, map to Bovine. + chain (str): Chain to map to (Default 'A'). """ if output_dir is None: output_dir = os.path.dirname(shap_csv) - # Ensure output dir exists if not os.path.isdir(output_dir): os.makedirs(output_dir, exist_ok=True) + + script_path = pathlib.Path(__file__).resolve() + wrk_dir = str(script_path.parent).replace('\\', '/') print(f"\n--- Starting Structural Importance Mapping ---") # --- PDB Resolution Logic --- - pdb_file_path = pdb_input + pdb_file_path = None - if os.path.isfile(pdb_input): - print(f"1. Using local PDB file: {pdb_input}") + # 1. Default Logic (No PDB provided) + if (not pdb_input or pdb_input.upper() == "1U19"): + print(" - No PDB provided. Defaulting to Bovine Rhodopsin (1U19).") + print(" - WARNING: Mapping SHAP values to the 1U19 structure. This assumes your sequence aligns with Bovine Rhodopsin.") + pdb_input = "1U19" + pdb_file_path = f"{wrk_dir}/data/cached_structures/1U19.pdb" + if use_query_position==True: + print('Cannot use query positions to map SHAP values onto Bovine Rho\nInstead, we will default back to using Bovine numbering...') + use_query_position=False + # If defaulting to 1U19, we likely want Chain A (Inactive) + if not chain: + chain = 'A' else: - # Check if input looks like a PDB ID (4 chars, alphanumeric) - # This allows user to just type "1u19" instead of a path - if len(pdb_input) == 4 and pdb_input.isalnum(): - print(f"1. '{pdb_input}' is not a local file. Checking online databases...") - downloaded = fetch_pdb_from_rcsb(pdb_input, output_dir) - if downloaded: - pdb_file_path = downloaded + # 2. Local File or RCSB Download + if os.path.isfile(pdb_input): + print(f"1. Using local PDB file: {pdb_input}") + if use_query_position==False: + print('Cannot use Bovine Rho positions to map SHAP values onto query sequence\nInstead, we will assume the input PDB corresponds to the query sequence and map those positions to the structure...') + use_query_position=True + pdb_file_path = pdb_input + else: + # Check if input looks like a PDB ID + if len(pdb_input) == 4 and pdb_input.isalnum(): + print(f"1. '{pdb_input}' is not a local file. Checking online databases...") + downloaded = fetch_pdb_from_rcsb(pdb_input, output_dir) + if downloaded: + pdb_file_path = downloaded + if use_query_position==False: + print('Cannot use Bovine Rho positions to map SHAP values onto query sequence\nInstead, we will assume the input PDB corresponds to the query sequence and map those positions to the structure...') + use_query_position=True + else: + print(" - FATAL: Could not retrieve PDB file.") + return None else: - print(" - FATAL: Could not retrieve PDB file.") + print(f" - FATAL: File '{pdb_input}' not found and does not look like a valid PDB ID.") return None - else: - print(f" - FATAL: File '{pdb_input}' not found and does not look like a valid PDB ID.") - return None - # Generate output filename based on the SHAP csv name base_name = os.path.splitext(os.path.basename(shap_csv))[0] base_name = base_name.replace('_shap_analysis', '') output_pdb = os.path.join(output_dir, f"{base_name}_structure_heatmap.pdb") @@ -247,7 +229,7 @@ def run_structural_mapping(shap_csv, pdb_input, output_dir=None, offset=0): # 1. Parse and Aggregate try: - raw_importance = parse_shap_csv(shap_csv) + raw_importance = parse_shap_csv(shap_csv, use_query_positions=use_query_position) print(f" - Found data for {len(raw_importance)} unique residues.") except Exception as e: print(f" - Error parsing CSV: {e}") @@ -259,12 +241,16 @@ def run_structural_mapping(shap_csv, pdb_input, output_dir=None, offset=0): # 3. Map to PDB print(f"4. Mapping to template structure: {os.path.basename(pdb_file_path)}") - print(f" - Applying alignment offset: {offset}") + print(f" - Chain Target: {chain if chain else 'All'}") + if use_query_position: + print(f" - Mode: Query Position Mapping (Target Sequence Numbering)") + else: + print(f" - Mode: True Position Mapping (Reference/Bovine Numbering)") try: - map_importance_to_pdb(pdb_file_path, output_pdb, norm_importance, offset=offset) + map_importance_to_pdb(pdb_file_path, output_pdb, norm_importance, chain_id=chain) - # Create a simple PyMOL script + # PyMOL Script pymol_script = os.path.join(output_dir, f"visualize_{base_name}.pml") with open(pymol_script, 'w') as pml: pml.write(f"load {os.path.basename(output_pdb)}\n") @@ -285,20 +271,15 @@ def run_structural_mapping(shap_csv, pdb_input, output_dir=None, offset=0): if __name__ == '__main__': parser = argparse.ArgumentParser(description="Map OPTICS SHAP importance values onto a 3D PDB structure.") - parser.add_argument("-s", "--shap_csv", - help="Path to the SHAP analysis CSV file (generated by optics_shap.py)", - required=True) - parser.add_argument("-p", "--pdb_file", - help="Path to a local PDB file OR a 4-letter PDB ID (e.g., '1U19') to fetch from RCSB.", - required=True) - parser.add_argument("-o", "--output_dir", - help="Directory to save the output PDB. Defaults to SHAP file directory.", - default=None) - parser.add_argument("--offset", - help="Integer offset to align SHAP positions with PDB numbering. (Default: 0)", - type=int, - default=0) + parser.add_argument("-s", "--shap_csv", help="Path to the SHAP analysis CSV file", required=True) + parser.add_argument("-p", "--pdb_file", help="Path to PDB file or ID. Default: 1U19", default=None) + parser.add_argument("-o", "--output_dir", help="Output directory", default=None) + parser.add_argument("--chain", help="Chain to map to. Default: A", type=str, default='A') + parser.add_argument("--use_query_position", help="Map using Reference/Bovine numbering column in CSV", action="store_true") args = parser.parse_args() - run_structural_mapping(args.shap_csv, args.pdb_file, args.output_dir, args.offset) \ No newline at end of file + run_structural_mapping( + args.shap_csv, args.pdb_file, args.output_dir, + args.use_query_position, args.chain + ) \ No newline at end of file diff --git a/run_optics_gui.py b/run_optics_gui.py index 1c33fd8e..4cb8426d 100644 --- a/run_optics_gui.py +++ b/run_optics_gui.py @@ -7,21 +7,31 @@ import os import math import random +import queue # Import queue for thread-safe logging import warnings warnings.filterwarnings("ignore") warnings.simplefilter('ignore') # Attempt to import the run_optics_predictions function -# This assumes optics_predictions.py is in the same directory or Python path try: from optics_predictions import run_optics_predictions except ImportError: - messagebox.showerror("Import Error", "Could not import 'run_optics_predictions' from 'optics_predictions.py'. Make sure the script is in the same directory.") - sys.exit(1) -except Exception as e: - messagebox.showerror("Import Error", f"An unexpected error occurred during import: {e}") - sys.exit(1) + # Fallback/Placeholder if file not found during dev + pass + +# Attempt to import the generate_shap_explanation function +try: + from optics_shap import generate_shap_explanation +except ImportError: + print("Warning: Could not import 'generate_shap_explanation'. SHAP mode will fail if selected.") + +# Attempt to import the run_structural_mapping function +try: + from optics_structure_map import run_structural_mapping +except: + print("Warning: Could not import 'run_structural_mapping'. Structure Mapping mode will fail if selected.") + # --- Eye Animation Class --- class HumanEyeLoadingScreen(tk.Toplevel): @@ -35,18 +45,23 @@ def __init__(self, parent): self.withdraw() # Hide window until it's configured # --- Configuration --- - self.title("Processing Predictions...") + self.title("Processing...") self.geometry("400x300") self.resizable(False, False) self.transient(parent) self.grab_set() # Center the loading screen over the parent window - parent_x = parent.winfo_x() - parent_y = parent.winfo_y() - parent_width = parent.winfo_width() - parent_height = parent.winfo_height() - self.after(10, lambda: self.geometry(f"400x300+{parent_x + (parent_width // 2) - 200}+{parent_y + (parent_height // 2) - 150}")) + # Update: Use parent's geometry logic more safely + try: + parent_x = parent.winfo_rootx() + parent_y = parent.winfo_rooty() + parent_width = parent.winfo_width() + parent_height = parent.winfo_height() + self.geometry(f"400x300+{parent_x + (parent_width // 2) - 200}+{parent_y + (parent_height // 2) - 150}") + except: + # Fallback if geometry calc fails + self.geometry("400x300") # --- Widgets --- self.canvas = tk.Canvas(self, bg="#1c1c1c", highlightthickness=0) @@ -67,22 +82,17 @@ def __init__(self, parent): self.ellipsis_count = 0 # --- Eye Animation Specifics --- - # Gaze control for both X and Y axes self.gaze_current_x = 0.0 self.gaze_target_x = 0.0 self.gaze_current_y = 0.0 self.gaze_target_y = 0.0 - # A sequence of (x, y) coordinates for the eye to look at. - # Includes corners, edges, and center to simulate looking around a screen. self.gaze_positions = [ (-40, -25), (45, 20), (0, 0), (30, 25), (-20, -20), (0, 0), (-45, 0), (45, 0), (0, 30), (0, -30), (0, 0) ] self.gaze_position_index = 0 - - # Timer for how long to wait before moving to the next gaze position - self.gaze_timer = 100 # Start with a delay + self.gaze_timer = 100 self.lift() self.deiconify() @@ -103,48 +113,35 @@ def stop_animation(self): def animate_text(self): """Animates an ellipsis on the loading text.""" if not self.animation_running: return - - # Cycle through 0, 1, 2, 3 dots self.ellipsis_count = (self.ellipsis_count + 1) % 4 dots = "." * self.ellipsis_count self.loading_label.config(text=f"Processing{dots}") - - self.after(400, self.animate_text) # Update text every 400ms + self.after(400, self.animate_text) def animate_eye(self): """The main animation loop for the eye's movement.""" if not self.animation_running: return - # --- Gaze Logic --- self.gaze_timer -= 1 if self.gaze_timer <= 0: - # Move to the next target position in our sequence self.gaze_position_index = (self.gaze_position_index + 1) % len(self.gaze_positions) self.gaze_target_x, self.gaze_target_y = self.gaze_positions[self.gaze_position_index] - # Reset the timer. Pause longer when looking at the center. if self.gaze_target_x == 0 and self.gaze_target_y == 0: - self.gaze_timer = random.randint(100, 150) # Longer pause for "staring" + self.gaze_timer = random.randint(100, 150) else: - self.gaze_timer = random.randint(40, 80) # Shorter pause for glances + self.gaze_timer = random.randint(40, 80) - # Smoothly move the current gaze towards the target for a natural effect self.gaze_current_x += (self.gaze_target_x - self.gaze_current_x) * 0.1 self.gaze_current_y += (self.gaze_target_y - self.gaze_current_y) * 0.1 - # --- Drawing Logic --- self.canvas.delete("all") self.canvas.create_window(200, 265, window=self.loading_label) - center_x, center_y = 200, 130 - # 1. Eye shape/socket self.canvas.create_oval(center_x - 110, center_y - 80, center_x + 110, center_y + 80, fill="#111111", outline="") - - # 2. Sclera (white of the eye) self.canvas.create_oval(center_x - 100, center_y - 70, center_x + 100, center_y + 70, fill="#EAEAEA", outline="") - - # 3. Iris and Pupil (position controlled by both x and y gaze) + iris_x = center_x + self.gaze_current_x iris_y = center_y + self.gaze_current_y iris_radius = 35 @@ -152,44 +149,86 @@ def animate_eye(self): self.canvas.create_oval(iris_x - iris_radius, iris_y - iris_radius, iris_x + iris_radius, iris_y + iris_radius, fill="#5DADE2", outline="") self.canvas.create_oval(iris_x - pupil_radius, iris_y - pupil_radius, iris_x + pupil_radius, iris_y + pupil_radius, fill="black", outline="") - # 4. Specular Highlight (moves with the iris) highlight_x = iris_x + 10 highlight_y = iris_y - 10 self.canvas.create_oval(highlight_x - 5, highlight_y - 5, highlight_x + 3, highlight_y + 3, fill="white", outline="") - # Schedule the next frame self.animation_id = self.after(30, self.animate_eye) -class OpticsGUI(tk.Tk): - def __init__(self): - super().__init__() - self.title("OPTICS") - self.geometry("1000x950") +# --- Text Redirector Class --- +class TextRedirector(object): + """ + A thread-safe redirector that writes to a Queue instead of directly to a Widget. + """ + def __init__(self, log_queue, tag="stdout"): + self.log_queue = log_queue + self.tag = tag + + def write(self, str_): + self.log_queue.put((self.tag, str_)) + + def flush(self): + pass + + +# --- Mode Selector Frame --- +class ModeSelectorFrame(ttk.Frame): + """ + Selection screen displayed inside the main application window. + """ + def __init__(self, parent, controller): + super().__init__(parent) + self.controller = controller - # --- Add a reference for the loading screen --- - self.loading_screen = None - - # --- Define a default font --- - default_font_family = "Century Gothic" - default_font_size = 10 - style = ttk.Style(self) - style.configure(".", font=(default_font_family, default_font_size)) + # Main Layout + main_frame = ttk.Frame(self, padding="20") + main_frame.pack(fill=tk.BOTH, expand=True) + + # Use the logo image stored in the controller (App) + if hasattr(self.controller, 'logo_icon_img') and self.controller.logo_icon_img: + logo_lbl = ttk.Label(main_frame, image=self.controller.logo_icon_img) + logo_lbl.pack(pady=(0, 10)) + + title_lbl = ttk.Label(main_frame, text="Welcome to OPTICS", font=("Century Gothic", 18, "bold")) + title_lbl.pack(pady=10) - # --- Logo and Window Icon --- - self.logo_icon_display_path = "./data/logo/optics_logo_resized.png" - try: - self.logo_icon_img = tk.PhotoImage(file=self.logo_icon_display_path) - self.iconphoto(True, self.logo_icon_img) # For window icon - except tk.TclError: - print(f"Warning: Could not load window icon: '{self.logo_icon_display_path}'. Ensure the file exists and is a valid image type.") - self.logo_icon_img = None + subtitle_lbl = ttk.Label(main_frame, text="Select your analysis pipeline:", font=("Century Gothic", 12)) + subtitle_lbl.pack(pady=(0, 20)) - # Apply the Sun Valley theme (default to dark) - sv_ttk.set_theme("dark") - self.dark_mode_enabled = True + # Buttons + style = ttk.Style() + style.configure("Big.TButton", font=("Century Gothic", 12)) - # --- Model, Encoding, and Bootstrap Visualization Choices --- + pred_btn = ttk.Button(main_frame, text="Standard Predictions\n(λmax & Spectral Tuning)", style="Big.TButton", + command=lambda: self.controller.show_optics_gui('predictions')) + pred_btn.pack(fill=tk.X, pady=10, ipady=10) + + shap_btn = ttk.Button(main_frame, text="SHAP Interpretation\n(Amino-Acid Importance)", style="Big.TButton", + command=lambda: self.controller.show_optics_gui('shap')) + shap_btn.pack(fill=tk.X, pady=10, ipady=10) + + struct_btn = ttk.Button(main_frame, text="Structure Mapping\n(3D Visualization of SHAP)", style="Big.TButton", + command=lambda: self.controller.show_optics_gui('structure')) + struct_btn.pack(fill=tk.X, pady=10, ipady=10) + + +# --- Main Logic Frame --- +class OpticsGUIFrame(ttk.Frame): + def __init__(self, parent, controller, mode='predictions'): + super().__init__(parent) + self.controller = controller + self.mode = mode + + # Mode-specific settings + if self.mode == 'predictions': + self.title_suffix = "Predictions" + elif self.mode == 'shap': + self.title_suffix = "SHAP Analysis" + else: + self.title_suffix = "Structure Mapping" + + # --- Choices --- self.version_choices = ['vpod_1.3'] self.model_choices = ['whole-dataset', 'wildtype', 'vertebrate', 'invertebrate', 'wildtype-vert', 'type-one', 'whole-dataset-mnm', @@ -198,20 +237,32 @@ def __init__(self): self.encoding_choices = ['one_hot', 'aa_prop'] self.refseq_choices = ['bovine', 'squid', 'microbe', 'custom'] self.viz_ftyp_choices = ['svg', 'png', 'pdf'] + + # SHAP specific choices + self.shap_mode_choices = ['both', 'comparison', 'single'] - # --- Top Frame for Logo and Theme Toggle --- + # --- Top Bar --- top_bar_frame = ttk.Frame(self) top_bar_frame.pack(fill=tk.X, padx=10, pady=(10,0)) - if self.logo_icon_img: # Display logo in GUI if loaded - gui_logo_label = ttk.Label(top_bar_frame, image=self.logo_icon_img, text="OPTICS: Opsin Phenotype Tool for Inference of Color Sentivity", font=("Century Gothic", 16, "bold"), compound="left") + header_text = f"OPTICS: {self.title_suffix}" + + # Use logo from controller + if hasattr(self.controller, 'logo_icon_img') and self.controller.logo_icon_img: + gui_logo_label = ttk.Label(top_bar_frame, image=self.controller.logo_icon_img, text=header_text, font=("Century Gothic", 16, "bold"), compound="left") gui_logo_label.pack(side=tk.LEFT, padx=(0,10)) - gui_logo_label.image = self.logo_icon_img + else: + gui_logo_label = ttk.Label(top_bar_frame, text=header_text, font=("Century Gothic", 16, "bold")) + gui_logo_label.pack(side=tk.LEFT, padx=(0,10)) + - self.theme_toggle_button = ttk.Button(top_bar_frame, text="Toggle Light Mode", command=self.toggle_theme) + self.theme_toggle_button = ttk.Button(top_bar_frame, text="Toggle Theme", command=self.controller.toggle_theme) self.theme_toggle_button.pack(side=tk.RIGHT, padx=(0,5)) - # --- Main Frame --- + self.back_button = ttk.Button(top_bar_frame, text="← Back", command=self.go_back) + self.back_button.pack(side=tk.RIGHT, padx=(0,5)) + + # --- Main Scrollable Area --- main_frame = ttk.Frame(self, padding="10") main_frame.pack(fill=tk.BOTH, expand=True) @@ -232,154 +283,214 @@ def __init__(self): canvas.pack(side="left", fill="both", expand=True) scrollbar.pack(side="right", fill="y") - # --- Input Widgets within scrollable_frame --- + # --- INPUT WIDGETS --- current_row = 0 scrollable_frame.columnconfigure(1, weight=1) - # Input Sequence/File - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Input Sequence/FASTA File:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.input_file_var = tk.StringVar() - ttk.Entry(scrollable_frame, textvariable=self.input_file_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - ttk.Button(scrollable_frame, text="Browse...", command=self.browse_input_file).grid(row=current_row, column=2, padx=5, pady=5) - current_row += 1 - - # Output Directory + # 1. Output Directory (Common to all modes) ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Directory:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) self.output_dir_var = tk.StringVar() ttk.Entry(scrollable_frame, textvariable=self.output_dir_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) ttk.Button(scrollable_frame, text="Browse...", command=self.browse_output_dir).grid(row=current_row, column=2, padx=5, pady=5) current_row += 1 - # Prediction Prefix - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Prediction Outputs Prefix:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.prediction_prefix_var = tk.StringVar() - ttk.Label(scrollable_frame, font=("Century Gothic", 9), text="\n\n\n(No extensions; used to name output folder and files)...").grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.W) - ttk.Entry(scrollable_frame, textvariable=self.prediction_prefix_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - # OPTICS Version - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Model Version:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.version_var = tk.StringVar(value=self.version_choices[0]) - ttk.Combobox(scrollable_frame, textvariable=self.version_var, values=self.version_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - # Model - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Model:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.model_var = tk.StringVar(value=self.model_choices[0]) - ttk.Combobox(scrollable_frame, textvariable=self.model_var, values=self.model_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - # Encoding Method - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Encoding Method:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.encoding_var = tk.StringVar(value=self.encoding_choices[1]) # Default to aa_prop - ttk.Combobox(scrollable_frame, textvariable=self.encoding_var, values=self.encoding_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - # Allow predictions on non-standard AA option - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Tolerate Non-standard AAs:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.non_standard_aa_var = tk.BooleanVar(value=True) - self.non_standard_aa_check = ttk.Checkbutton(scrollable_frame, text="Enable to predict on sequences with non-standard amino-acids", variable=self.non_standard_aa_var) - self.non_standard_aa_check.grid(row=current_row, column=1, columnspan=2, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - # Allow predictions on non-standard AA option - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Tolerate Potential Incomplete Sequences:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.incomp_seqs_var = tk.BooleanVar(value=False) - self.incomp_seqs_check = ttk.Checkbutton(scrollable_frame, text="Enable to predict on sequences outside range of 250-650 amino-acids", variable=self.incomp_seqs_var) - self.incomp_seqs_check.grid(row=current_row, column=1, columnspan=2, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - # --- BLASTp Options Frame --- - blastp_frame = ttk.LabelFrame(scrollable_frame, text="BLASTp Options", padding="10") - blastp_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) - current_row += 1 - - self.blastp_enabled_var = tk.BooleanVar(value=True) - self.blastp_check = ttk.Checkbutton(blastp_frame, text="Enable BLASTp Analysis", variable=self.blastp_enabled_var, command=self.toggle_blastp_options) - self.blastp_check.grid(row=0, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) - - ttk.Label(blastp_frame, font=("Century Gothic", 12), text="BLASTp Report Filename:").grid(row=1, column=0, padx=5, pady=5, sticky=tk.W) - self.blastp_report_var = tk.StringVar(value="blastp_report.txt") - self.blastp_report_entry = ttk.Entry(blastp_frame, textvariable=self.blastp_report_var, width=50) - self.blastp_report_entry.grid(row=1, column=1, padx=5, pady=5, sticky=tk.EW) - - ttk.Label(blastp_frame, font=("Century Gothic", 12), text="Reference Sequence (BLASTp):").grid(row=2, column=0, padx=5, pady=5, sticky=tk.W) - self.refseq_var = tk.StringVar(value=self.refseq_choices[0]) - self.refseq_combo = ttk.Combobox(blastp_frame, textvariable=self.refseq_var, values=self.refseq_choices, state="readonly", width=47) - self.refseq_combo.grid(row=2, column=1, padx=5, pady=5, sticky=tk.EW) - self.refseq_combo.bind("<>", self.toggle_custom_ref_file) - - ttk.Label(blastp_frame, font=("Century Gothic", 12), text="Custom Reference File (BLASTp):").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) - self.custom_ref_file_var = tk.StringVar() - self.custom_ref_file_entry = ttk.Entry(blastp_frame, textvariable=self.custom_ref_file_var, width=50) - self.custom_ref_file_entry.grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) - self.custom_ref_file_button = ttk.Button(blastp_frame, text="Browse...", command=self.browse_custom_ref_file) - self.custom_ref_file_button.grid(row=3, column=2, padx=5, pady=5) - - - # --- Bootstrap Options Frame --- - bootstrap_frame = ttk.LabelFrame(scrollable_frame, text="Bootstrap Options", padding="10") - bootstrap_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) - current_row += 1 - - self.bootstrap_enabled_var = tk.BooleanVar(value=True) - self.bootstrap_check = ttk.Checkbutton(bootstrap_frame, text="Enable Bootstrap Predictions", variable=self.bootstrap_enabled_var, command=self.toggle_bootstrap_options) - self.bootstrap_check.grid(row=0, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + if self.mode in ['predictions', 'shap']: + # -- ML Workflow Inputs -- + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Input Sequence/FASTA File:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.input_file_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.input_file_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + ttk.Button(scrollable_frame, text="Browse...", command=self.browse_input_file).grid(row=current_row, column=2, padx=5, pady=5) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Filename Prefix:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.prediction_prefix_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.prediction_prefix_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Model Version:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.version_var = tk.StringVar(value=self.version_choices[0]) + ttk.Combobox(scrollable_frame, textvariable=self.version_var, values=self.version_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Model:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.model_var = tk.StringVar(value=self.model_choices[0]) + ttk.Combobox(scrollable_frame, textvariable=self.model_var, values=self.model_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Encoding Method:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.encoding_var = tk.StringVar(value=self.encoding_choices[1]) + ttk.Combobox(scrollable_frame, textvariable=self.encoding_var, values=self.encoding_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + elif self.mode == 'structure': + # -- Structure Mapping Inputs -- + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="SHAP Analysis CSV File:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.shap_csv_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.shap_csv_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + ttk.Button(scrollable_frame, text="Browse...", command=self.browse_shap_csv).grid(row=current_row, column=2, padx=5, pady=5) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="PDB File or ID (e.g. 1U19):").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.pdb_input_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.pdb_input_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + ttk.Button(scrollable_frame, text="Browse File...", command=self.browse_pdb_file).grid(row=current_row, column=2, padx=5, pady=5) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Chain ID:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.chain_var = tk.StringVar(value="A") + ttk.Entry(scrollable_frame, textvariable=self.chain_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + self.use_query_pos_var = tk.BooleanVar(value=False) + self.query_pos_check = ttk.Checkbutton(scrollable_frame, text="Use Query/Target Sequence Numbering", variable=self.use_query_pos_var) + self.query_pos_check.grid(row=current_row, column=1, columnspan=2, padx=5, pady=5, sticky=tk.W) + current_row += 1 + + ttk.Label(scrollable_frame, text="(If unchecked, defaults to Reference/Bovine numbering from SHAP file)", font=("Century Gothic", 9)).grid(row=current_row, column=1, padx=5, pady=0, sticky=tk.W) + current_row += 1 - self.visualize_bootstrap_var = tk.BooleanVar(value=True) - self.visualize_check = ttk.Checkbutton(bootstrap_frame, text="Visualize Bootstrap Predictions", variable=self.visualize_bootstrap_var, command=self.toggle_bootstrap_options) - self.visualize_check.grid(row=1, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) - ttk.Label(bootstrap_frame, font=("Century Gothic", 12), text="Bootstrap Viz Filename Prefix:").grid(row=2, column=0, padx=5, pady=5, sticky=tk.W) - self.bootstrap_viz_file_var = tk.StringVar(value="bootstrap_viz") - self.bootstrap_viz_entry = ttk.Entry(bootstrap_frame, textvariable=self.bootstrap_viz_file_var, width=50) - self.bootstrap_viz_entry.grid(row=2, column=1, padx=5, pady=5, sticky=tk.EW) + # --- MODE SPECIFIC OPTIONS --- - - ttk.Label(bootstrap_frame, font=("Century Gothic", 12), text="Bootstrap Viz Filetype:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) - self.bootstrap_fytp_var = tk.StringVar(value=self.viz_ftyp_choices[0]) # Default to svg - self.fytp_combo = ttk.Combobox(bootstrap_frame, textvariable=self.bootstrap_fytp_var, values=self.viz_ftyp_choices, state="readonly", width=47) - self.fytp_combo.grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) - - self.viz_xaxis_scale = tk.BooleanVar(value=False) - self.xaxis_check = ttk.Checkbutton(bootstrap_frame, text="Enable Full-Spectrum X-axis (300-650nm). Default = Scaled to Predictions", variable=self.viz_xaxis_scale) - self.xaxis_check.grid(row=4, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + if self.mode == 'predictions': + # -- Prediction specific options -- + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Tolerate Non-standard AAs:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.non_standard_aa_var = tk.BooleanVar(value=True) + self.non_standard_aa_check = ttk.Checkbutton(scrollable_frame, text="Enable to predict on sequences with non-standard amino-acids", variable=self.non_standard_aa_var) + self.non_standard_aa_check.grid(row=current_row, column=1, columnspan=2, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Tolerate Incomplete Seqs:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.incomp_seqs_var = tk.BooleanVar(value=False) + self.incomp_seqs_check = ttk.Checkbutton(scrollable_frame, text="Enable to predict on sequences outside range of 250-650 amino-acids", variable=self.incomp_seqs_var) + self.incomp_seqs_check.grid(row=current_row, column=1, columnspan=2, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + # BLASTp Frame + blastp_frame = ttk.LabelFrame(scrollable_frame, text="BLASTp Options", padding="10") + blastp_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) + current_row += 1 + + self.blastp_enabled_var = tk.BooleanVar(value=True) + self.blastp_check = ttk.Checkbutton(blastp_frame, text="Enable BLASTp Analysis", variable=self.blastp_enabled_var, command=self.toggle_blastp_options) + self.blastp_check.grid(row=0, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + ttk.Label(blastp_frame, font=("Century Gothic", 12), text="BLASTp Report Filename:").grid(row=1, column=0, padx=5, pady=5, sticky=tk.W) + self.blastp_report_var = tk.StringVar(value="blastp_report.txt") + self.blastp_report_entry = ttk.Entry(blastp_frame, textvariable=self.blastp_report_var, width=50) + self.blastp_report_entry.grid(row=1, column=1, padx=5, pady=5, sticky=tk.EW) + + ttk.Label(blastp_frame, font=("Century Gothic", 12), text="Reference Sequence:").grid(row=2, column=0, padx=5, pady=5, sticky=tk.W) + self.refseq_var = tk.StringVar(value=self.refseq_choices[0]) + self.refseq_combo = ttk.Combobox(blastp_frame, textvariable=self.refseq_var, values=self.refseq_choices, state="readonly", width=47) + self.refseq_combo.grid(row=2, column=1, padx=5, pady=5, sticky=tk.EW) + self.refseq_combo.bind("<>", self.toggle_custom_ref_file) + + ttk.Label(blastp_frame, font=("Century Gothic", 12), text="Custom Reference File:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) + self.custom_ref_file_var = tk.StringVar() + self.custom_ref_file_entry = ttk.Entry(blastp_frame, textvariable=self.custom_ref_file_var, width=50) + self.custom_ref_file_entry.grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) + self.custom_ref_file_button = ttk.Button(blastp_frame, text="Browse...", command=self.browse_custom_ref_file) + self.custom_ref_file_button.grid(row=3, column=2, padx=5, pady=5) + + # Bootstrap Frame + bootstrap_frame = ttk.LabelFrame(scrollable_frame, text="Bootstrap Options", padding="10") + bootstrap_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) + current_row += 1 + + self.bootstrap_enabled_var = tk.BooleanVar(value=True) + self.bootstrap_check = ttk.Checkbutton(bootstrap_frame, text="Enable Bootstrap Predictions", variable=self.bootstrap_enabled_var, command=self.toggle_bootstrap_options) + self.bootstrap_check.grid(row=0, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + self.visualize_bootstrap_var = tk.BooleanVar(value=True) + self.visualize_check = ttk.Checkbutton(bootstrap_frame, text="Visualize Bootstrap Predictions", variable=self.visualize_bootstrap_var, command=self.toggle_bootstrap_options) + self.visualize_check.grid(row=1, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + ttk.Label(bootstrap_frame, font=("Century Gothic", 12), text="Bootstrap Viz Filename:").grid(row=2, column=0, padx=5, pady=5, sticky=tk.W) + self.bootstrap_viz_file_var = tk.StringVar(value="bootstrap_viz") + self.bootstrap_viz_entry = ttk.Entry(bootstrap_frame, textvariable=self.bootstrap_viz_file_var, width=50) + self.bootstrap_viz_entry.grid(row=2, column=1, padx=5, pady=5, sticky=tk.EW) + + ttk.Label(bootstrap_frame, font=("Century Gothic", 12), text="Viz Filetype:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) + self.bootstrap_fytp_var = tk.StringVar(value=self.viz_ftyp_choices[0]) + self.fytp_combo = ttk.Combobox(bootstrap_frame, textvariable=self.bootstrap_fytp_var, values=self.viz_ftyp_choices, state="readonly", width=47) + self.fytp_combo.grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) + + self.viz_xaxis_scale = tk.BooleanVar(value=False) + self.xaxis_check = ttk.Checkbutton(bootstrap_frame, text="Enable Full-Spectrum X-axis (300-650nm)", variable=self.viz_xaxis_scale) + self.xaxis_check.grid(row=4, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + # Init options + self.toggle_blastp_options() + self.toggle_bootstrap_options() + self.toggle_custom_ref_file() + + elif self.mode == 'shap': + # -- SHAP specific options -- + shap_frame = ttk.LabelFrame(scrollable_frame, text="SHAP Interpretation Options", padding="10") + shap_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) + current_row += 1 + + # Analysis Mode + ttk.Label(shap_frame, font=("Century Gothic", 12), text="Analysis Mode:").grid(row=0, column=0, padx=5, pady=5, sticky=tk.W) + self.shap_mode_var = tk.StringVar(value=self.shap_mode_choices[0]) + ttk.Combobox(shap_frame, textvariable=self.shap_mode_var, values=self.shap_mode_choices, state="readonly", width=47).grid(row=0, column=1, padx=5, pady=5, sticky=tk.EW) + + # N Positions + ttk.Label(shap_frame, font=("Century Gothic", 12), text="Top N Features to Show:").grid(row=1, column=0, padx=5, pady=5, sticky=tk.W) + self.n_positions_var = tk.IntVar(value=10) + ttk.Spinbox(shap_frame, from_=1, to=100, textvariable=self.n_positions_var, width=48).grid(row=1, column=1, padx=5, pady=5, sticky=tk.EW) + + # Use Reference Sites + self.use_ref_sites_var = tk.BooleanVar(value=True) + ttk.Checkbutton(shap_frame, text="Use Reference Numbering (e.g., Bovine Rhodopsin positions)", variable=self.use_ref_sites_var).grid(row=2, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + # Filetype + ttk.Label(shap_frame, font=("Century Gothic", 12), text="Save Visualizations As:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) + self.shap_save_as_var = tk.StringVar(value=self.viz_ftyp_choices[0]) + ttk.Combobox(shap_frame, textvariable=self.shap_save_as_var, values=self.viz_ftyp_choices, state="readonly", width=47).grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) - # Initial state of options - self.toggle_blastp_options() - self.toggle_bootstrap_options() - self.toggle_custom_ref_file() # --- Run Button --- - self.run_button = ttk.Button(scrollable_frame, text="Run OPTICS Predictions", command=self.start_run_thread) + if self.mode == 'predictions': + btn_text = "Run OPTICS Predictions" + elif self.mode == 'shap': + btn_text = "Run SHAP Analysis" + else: + btn_text = "Run Structure Mapping" + + self.run_button = ttk.Button(scrollable_frame, text=btn_text, command=self.start_run_thread) self.run_button.grid(row=current_row, column=0, columnspan=3, padx=5, pady=20) current_row += 1 # --- Status/Output Area --- ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Log:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) current_row += 1 - self.output_text = scrolledtext.ScrolledText(scrollable_frame, wrap=tk.WORD, height=15, width=80, font=(default_font_family, default_font_size)) + self.output_text = scrolledtext.ScrolledText(scrollable_frame, wrap=tk.WORD, height=15, width=80, font=("Century Gothic", 10)) self.output_text.grid(row=current_row, column=0, columnspan=3, padx=5, pady=5, sticky=tk.NSEW) self.output_text.configure(state='disabled') scrollable_frame.columnconfigure(1, weight=1) + + # Loading Screen placeholder + self.loading_screen = None - # Redirect stdout and stderr - sys.stdout = TextRedirector(self.output_text, "stdout") - sys.stderr = TextRedirector(self.output_text, "stderr") + def write_to_log(self, message, tag): + """Called by the main controller to update the log widget.""" + try: + self.output_text.configure(state='normal') + self.output_text.insert(tk.END, message, (tag,)) + self.output_text.see(tk.END) + self.output_text.configure(state='disabled') + except Exception: + pass # Widget might be dead, ignore - def toggle_theme(self): - if self.dark_mode_enabled: - sv_ttk.set_theme("light") - self.theme_toggle_button.configure(text="Toggle Dark Mode") - self.dark_mode_enabled = False - else: - sv_ttk.set_theme("dark") - self.theme_toggle_button.configure(text="Toggle Light Mode") - self.dark_mode_enabled = True + def go_back(self): + """Signals that the user wants to return to the mode selector.""" + self.controller.show_mode_selector() def browse_input_file(self): - filename = filedialog.askopenfilename(title="Select Input FASTA File or Sequence File", + filename = filedialog.askopenfilename(title="Select Input FASTA File", filetypes=(("FASTA files", "*.fasta *.fa *.fna *.faa *.fas"), ("Text files", "*.txt"), ("All files", "*.*"))) @@ -398,6 +509,21 @@ def browse_custom_ref_file(self): if filename: self.custom_ref_file_var.set(filename) + def browse_shap_csv(self): + filename = filedialog.askopenfilename(title="Select SHAP Analysis CSV", + filetypes=(("CSV files", "*.csv"), + ("All files", "*.*"))) + if filename: + self.shap_csv_var.set(filename) + + def browse_pdb_file(self): + filename = filedialog.askopenfilename(title="Select PDB File", + filetypes=(("PDB files", "*.pdb"), + ("All files", "*.*"))) + if filename: + self.pdb_input_var.set(filename) + + def toggle_blastp_options(self): state = tk.NORMAL if self.blastp_enabled_var.get() else tk.DISABLED self.blastp_report_entry.configure(state=state) @@ -405,6 +531,8 @@ def toggle_blastp_options(self): self.toggle_custom_ref_file() def toggle_custom_ref_file(self, event=None): + if not hasattr(self, 'blastp_enabled_var'): return + blastp_on = self.blastp_enabled_var.get() custom_ref_selected = self.refseq_var.get() == "custom" @@ -417,7 +545,6 @@ def toggle_custom_ref_file(self, event=None): if not custom_ref_selected: self.custom_ref_file_var.set("") - def toggle_bootstrap_options(self): bootstrap_state = tk.NORMAL if self.bootstrap_enabled_var.get() else tk.DISABLED self.visualize_check.configure(state=bootstrap_state) @@ -429,98 +556,145 @@ def toggle_bootstrap_options(self): def log_message(self, message): - self.output_text.configure(state='normal') - self.output_text.insert(tk.END, message + "\n") - self.output_text.see(tk.END) - self.output_text.configure(state='disabled') - self.update_idletasks() + """Thread-safe logging helper - puts message in queue via print/stdout redirect.""" + print(message) def start_run_thread(self): - if not self.input_file_var.get(): - messagebox.showerror("Input Error", "Please specify an input sequence/FASTA file.") - return + # Validation based on mode + if self.mode in ['predictions', 'shap']: + if not self.input_file_var.get(): + messagebox.showerror("Input Error", "Please specify an input sequence/FASTA file.") + return + elif self.mode == 'structure': + if not self.shap_csv_var.get(): + messagebox.showerror("Input Error", "Please specify the SHAP Analysis CSV file.") + return + if not self.pdb_input_var.get(): + messagebox.showerror("Input Error", "Please specify a PDB file path or ID.") + return + + # Create default output dir if not specified if not self.output_dir_var.get(): - messagebox.showerror("Input Error", "Please specify an output directory.") - return - - is_file_input = os.path.isfile(self.input_file_var.get()) - is_likely_sequence = not is_file_input and len(self.input_file_var.get()) > 10 # Heuristic for sequence - - if not is_file_input and is_likely_sequence : - if not messagebox.askyesno("Input Warning", "Input doesn't look like a file path. Is it a direct sequence string?"): - return - elif not is_file_input and not is_likely_sequence and self.input_file_var.get(): - if not messagebox.askyesno("Input Warning", "Input is short and not a file. Is it a direct (short) sequence string?"): - return - elif not is_file_input and not self.input_file_var.get(): - messagebox.showerror("Input Error", "Please specify an input sequence/FASTA file.") - return - - + self.output_dir_var.set(os.path.join(os.getcwd(), 'prediction_outputs')) + self.run_button.config(state=tk.DISABLED) self.output_text.configure(state='normal') self.output_text.delete(1.0, tk.END) self.output_text.configure(state='disabled') - self.log_message("Starting OPTICS predictions...") + + if self.mode == 'predictions': + log_txt = "Starting OPTICS Predictions..." + elif self.mode == 'shap': + log_txt = "Starting SHAP Analysis..." + else: + log_txt = "Starting Structure Mapping..." + + self.log_message(log_txt) - # Create and start the loading screen animation - self.loading_screen = HumanEyeLoadingScreen(self) + self.loading_screen = HumanEyeLoadingScreen(self.controller) self.loading_screen.start_animation() - # Start the prediction logic in a separate thread thread = threading.Thread(target=self.run_predictions_logic, daemon=True) thread.start() def run_predictions_logic(self): try: - input_val = self.input_file_var.get() + # Common arguments pred_dir_val = self.output_dir_var.get() - output_val = self.prediction_prefix_var.get() - version_val = self.version_var.get() - model_val = self.model_var.get() - encoding_val = self.encoding_var.get() - tol_non_stan_aa = self.non_standard_aa_var.get() - tol_incomp_seqs = self.incomp_seqs_var.get() - - blastp_val = self.blastp_enabled_var.get() - iden_report_val = self.blastp_report_var.get() if blastp_val else None - refseq_val = self.refseq_var.get() if blastp_val else "bovine" - reffile_val = self.custom_ref_file_var.get() if blastp_val and self.refseq_var.get() == "custom" else None - bootstrap_val = self.bootstrap_enabled_var.get() - visualize_bootstrap_val = self.visualize_bootstrap_var.get() if bootstrap_val else False - bootstrap_viz_file_val = self.bootstrap_viz_file_var.get() if bootstrap_val and visualize_bootstrap_val else None - viz_ftyp_val = self.bootstrap_fytp_var.get() if bootstrap_val and visualize_bootstrap_val else None - xaxis_val = self.viz_xaxis_scale.get() if bootstrap_val and visualize_bootstrap_val else None - - pred_df, output_file_path = run_optics_predictions( - input_sequence=input_val, - pred_dir=pred_dir_val, - output=output_val, - model=model_val, - encoding_method=encoding_val, - blastp=blastp_val, - iden_report=iden_report_val, - refseq=refseq_val, - reffile=reffile_val, - bootstrap=bootstrap_val, - visualize_bootstrap=visualize_bootstrap_val, - bootstrap_viz_file=bootstrap_viz_file_val, - save_as=viz_ftyp_val, - full_spectrum_xaxis=xaxis_val, - model_version=version_val, - tolerate_non_standard_aa=tol_non_stan_aa, - tolerate_incomplete_seqs=tol_incomp_seqs - ) - - self.log_message(f"\n--- Predictions Complete ---") - if output_file_path: - self.log_message(f"Full results written to files in directory: {os.path.dirname(output_file_path)}") - self.log_message(f"Primary output file: {output_file_path}") - messagebox.showinfo("Success", f"OPTICS predictions completed successfully!\nResults are in: {os.path.dirname(output_file_path)}") - else: - self.log_message("Output file path not available.") - messagebox.showinfo("Success", "OPTICS predictions completed, but output path was not returned.") + if self.mode == 'predictions': + input_val = self.input_file_var.get() + output_val = self.prediction_prefix_var.get() + if not output_val: output_val = "optics_results" + version_val = self.version_var.get() + model_val = self.model_var.get() + encoding_val = self.encoding_var.get() + tol_non_stan_aa = self.non_standard_aa_var.get() + tol_incomp_seqs = self.incomp_seqs_var.get() + + blastp_val = self.blastp_enabled_var.get() + iden_report_val = self.blastp_report_var.get() if blastp_val else None + refseq_val = self.refseq_var.get() if blastp_val else "bovine" + reffile_val = self.custom_ref_file_var.get() if blastp_val and self.refseq_var.get() == "custom" else None + + bootstrap_val = self.bootstrap_enabled_var.get() + visualize_bootstrap_val = self.visualize_bootstrap_var.get() if bootstrap_val else False + bootstrap_viz_file_val = self.bootstrap_viz_file_var.get() if bootstrap_val and visualize_bootstrap_val else None + viz_ftyp_val = self.bootstrap_fytp_var.get() if bootstrap_val and visualize_bootstrap_val else None + xaxis_val = self.viz_xaxis_scale.get() if bootstrap_val and visualize_bootstrap_val else None + + pred_df, output_file_path = run_optics_predictions( + input_sequence=input_val, + pred_dir=pred_dir_val, + output=output_val, + model=model_val, + encoding_method=encoding_val, + blastp=blastp_val, + iden_report=iden_report_val, + refseq=refseq_val, + reffile=reffile_val, + bootstrap=bootstrap_val, + visualize_bootstrap=visualize_bootstrap_val, + bootstrap_viz_file=bootstrap_viz_file_val, + save_as=viz_ftyp_val, + full_spectrum_xaxis=xaxis_val, + model_version=version_val, + tolerate_non_standard_aa=tol_non_stan_aa, + tolerate_incomplete_seqs=tol_incomp_seqs + ) + + self.log_message(f"\n--- Predictions Complete ---") + if output_file_path: + self.controller.after(0, lambda: messagebox.showinfo("Success", f"OPTICS predictions completed successfully!\nResults are in: {os.path.dirname(output_file_path)}")) + + elif self.mode == 'shap': + input_val = self.input_file_var.get() + output_val = self.prediction_prefix_var.get() + if not output_val: output_val = "optics_results" + version_val = self.version_var.get() + model_val = self.model_var.get() + encoding_val = self.encoding_var.get() + shap_mode = self.shap_mode_var.get() + n_pos = self.n_positions_var.get() + use_ref = self.use_ref_sites_var.get() + save_as = self.shap_save_as_var.get() + + generate_shap_explanation( + input_file=input_val, + pred_dir=pred_dir_val, + output=output_val, + save_as=save_as, + model=model_val, + encoding_method=encoding_val, + model_version=version_val, + cmd_line="GUI_Execution", + mode=shap_mode, + n_positions=n_pos, + use_reference_sites=use_ref + ) + self.log_message(f"\n--- SHAP Analysis Complete ---") + self.controller.after(0, lambda: messagebox.showinfo("Success", f"SHAP analysis completed successfully!\nResults are in: {pred_dir_val}")) + + elif self.mode == 'structure': + csv_path = self.shap_csv_var.get() + pdb_input = self.pdb_input_var.get() + chain_val = self.chain_var.get() + use_query_pos = self.use_query_pos_var.get() + + pdb_out = run_structural_mapping( + shap_csv=csv_path, + pdb_input=pdb_input, + output_dir=pred_dir_val, + use_query_position=use_query_pos, + chain=chain_val + ) + + self.log_message(f"\n--- Structure Mapping Complete ---") + if pdb_out: + self.log_message(f"PDB Saved to: {pdb_out}") + self.controller.after(0, lambda: messagebox.showinfo("Success", f"Mapping completed successfully!\nSaved PDB to: {pdb_out}")) + else: + self.controller.after(0, lambda: messagebox.showerror("Error", "Structure mapping failed. Check log for details.")) except Exception as e: @@ -528,32 +702,101 @@ def run_predictions_logic(self): self.log_message(f"An error occurred: {str(e)}") import traceback self.log_message(f"Traceback:\n{traceback.format_exc()}") - messagebox.showerror("Error", f"An error occurred during prediction: {e}") + self.controller.after(0, lambda: messagebox.showerror("Error", f"An error occurred: {e}")) finally: - # This block runs whether there was an error or not. - # It's crucial for re-enabling the UI. - self.run_button.config(state=tk.NORMAL) - - # Schedule the loading screen to close. - # We use self.after() to ensure this GUI operation runs on the main thread. + self.controller.after(0, lambda: self.run_button.config(state=tk.NORMAL)) if self.loading_screen: - self.after(0, self.loading_screen.stop_animation) + self.controller.after(0, self.loading_screen.stop_animation) -class TextRedirector(object): - def __init__(self, widget, tag="stdout"): - self.widget = widget - self.tag = tag +# --- Main Application Controller --- +class OpticsApp(tk.Tk): + """ + Main Application Window (Single Root). + Manages navigation between frames (ModeSelector -> OpticsGUI). + Keeps the Tcl interpreter alive to prevent Threading/GC errors. + """ + def __init__(self): + super().__init__() + self.title("OPTICS Pipeline") + self.geometry("1000x950") + + # --- Theme --- + sv_ttk.set_theme("dark") + self.dark_mode_enabled = True + + # --- Define default font --- + default_font = tkFont.nametofont("TkDefaultFont") + default_font.configure(family="Century Gothic", size=10) + self.option_add("*Font", default_font) + + # --- Logo --- + self.logo_icon_display_path = "./data/logo/optics_logo_resized.png" + self.logo_icon_img = None + try: + self.logo_icon_img = tk.PhotoImage(file=self.logo_icon_display_path) + self.iconphoto(True, self.logo_icon_img) + except tk.TclError: + pass - def write(self, str_): - self.widget.configure(state='normal') - self.widget.insert(tk.END, str_, (self.tag,)) - self.widget.see(tk.END) - self.widget.configure(state='disabled') - self.widget.update_idletasks() + # --- Logging Setup --- + self.log_queue = queue.Queue() + # Redirect stdout/stderr to queue + sys.stdout = TextRedirector(self.log_queue, "stdout") + sys.stderr = TextRedirector(self.log_queue, "stderr") - def flush(self): - pass + # --- Frame Container --- + self.container = ttk.Frame(self) + self.container.pack(fill="both", expand=True) + + self.current_frame = None + + # Start with Mode Selector + self.show_mode_selector() + + # Start Log Polling + self.update_log_from_queue() + + def show_mode_selector(self): + """Switches to the Mode Selector screen.""" + if self.current_frame: + self.current_frame.destroy() + self.current_frame = ModeSelectorFrame(self.container, self) + self.current_frame.pack(fill="both", expand=True) + + def show_optics_gui(self, mode): + """Switches to the Main Logic screen for the selected mode.""" + if self.current_frame: + self.current_frame.destroy() + self.current_frame = OpticsGUIFrame(self.container, self, mode) + self.current_frame.pack(fill="both", expand=True) + + def toggle_theme(self): + if self.dark_mode_enabled: + sv_ttk.set_theme("light") + self.dark_mode_enabled = False + else: + sv_ttk.set_theme("dark") + self.dark_mode_enabled = True + + def update_log_from_queue(self): + """Polls the queue and updates the current frame if it has a log widget.""" + while not self.log_queue.empty(): + try: + tag, message = self.log_queue.get_nowait() + # Check if current frame has the logging method + if hasattr(self.current_frame, 'write_to_log'): + self.current_frame.write_to_log(message, tag) + except queue.Empty: + break + + self.after(100, self.update_log_from_queue) + + def destroy(self): + """Restore stdout/stderr when app closes.""" + sys.stdout = sys.__stdout__ + sys.stderr = sys.__stderr__ + super().destroy() if __name__ == "__main__": @@ -561,5 +804,5 @@ def flush(self): if script_dir not in sys.path: sys.path.insert(0, script_dir) - app = OpticsGUI() - app.mainloop() + app = OpticsApp() + app.mainloop() \ No newline at end of file diff --git a/run_optics_gui_pyqy.py b/run_optics_gui_pyqy.py deleted file mode 100644 index b9c7f425..00000000 --- a/run_optics_gui_pyqy.py +++ /dev/null @@ -1,638 +0,0 @@ -import sys -import os -import math -import random -import traceback -import warnings - -# PyQt6 Imports -from PyQt6.QtWidgets import (QApplication, QMainWindow, QWidget, QVBoxLayout, - QHBoxLayout, QFormLayout, QLabel, QLineEdit, QPushButton, - QComboBox, QCheckBox, QGroupBox, QScrollArea, - QTextEdit, QFileDialog, QMessageBox, QDialog, - QSizePolicy, QFrame) -from PyQt6.QtCore import Qt, QTimer, QThread, pyqtSignal, QObject, QSize, QRectF -from PyQt6.QtGui import QPainter, QColor, QPen, QBrush, QFont, QIcon, QPalette - -warnings.filterwarnings("ignore") - -# --- Backend Imports & Mocking --- -# We keep these safe so the GUI runs even if the backend files are missing -try: - from optics_predictions import run_optics_predictions -except ImportError: - run_optics_predictions = None - -try: - from optics_shap import generate_shap_explanation -except ImportError: - generate_shap_explanation = None - -# --- Custom Logging Stream --- -class StreamRedirector(QObject): - """Redirects stdout/stderr to a PyQt Signal so it can be shown in the GUI safely.""" - text_written = pyqtSignal(str) - - def write(self, text): - self.text_written.emit(str(text)) - - def flush(self): - pass - -# --- Eye Animation Loading Screen --- -class HumanEyeLoadingScreen(QDialog): - """ - A modal loading screen with an animated eye drawn using QPainter. - """ - def __init__(self, parent=None): - super().__init__(parent) - self.setWindowFlags(Qt.WindowType.Dialog | Qt.WindowType.FramelessWindowHint) - self.setModal(True) - self.setFixedSize(400, 300) - self.setStyleSheet("background-color: #1c1c1c; border: 1px solid #333;") - - # Animation State - self.gaze_current_x = 0.0 - self.gaze_target_x = 0.0 - self.gaze_current_y = 0.0 - self.gaze_target_y = 0.0 - - self.gaze_positions = [ - (-40, -25), (45, 20), (0, 0), (30, 25), (-20, -20), (0, 0), - (-45, 0), (45, 0), (0, 30), (0, -30), (0, 0) - ] - self.gaze_position_index = 0 - self.gaze_timer_counter = 100 - self.ellipsis_count = 0 - - # Timers - self.anim_timer = QTimer(self) - self.anim_timer.timeout.connect(self.update_animation) - - self.text_timer = QTimer(self) - self.text_timer.timeout.connect(self.update_text) - - def showEvent(self, event): - super().showEvent(event) - self.start_animation() - - def start_animation(self): - self.anim_timer.start(30) # ~30fps - self.text_timer.start(400) - - def stop_animation(self): - self.anim_timer.stop() - self.text_timer.stop() - self.accept() - - def update_text(self): - self.ellipsis_count = (self.ellipsis_count + 1) % 4 - self.update() # Trigger repaint to draw text - - def update_animation(self): - self.gaze_timer_counter -= 1 - - # Pick new target - if self.gaze_timer_counter <= 0: - self.gaze_position_index = (self.gaze_position_index + 1) % len(self.gaze_positions) - self.gaze_target_x, self.gaze_target_y = self.gaze_positions[self.gaze_position_index] - - if self.gaze_target_x == 0 and self.gaze_target_y == 0: - self.gaze_timer_counter = random.randint(100, 150) - else: - self.gaze_timer_counter = random.randint(40, 80) - - # Smooth easing - self.gaze_current_x += (self.gaze_target_x - self.gaze_current_x) * 0.1 - self.gaze_current_y += (self.gaze_target_y - self.gaze_current_y) * 0.1 - - self.update() # Trigger paintEvent - - def paintEvent(self, event): - painter = QPainter(self) - painter.setRenderHint(QPainter.RenderHint.Antialiasing) - - # Center coordinates - center_x = self.width() / 2 - center_y = self.height() / 2 - 20 # Shift up slightly - - # 1. Draw Eye Sclera (White part) - painter.setBrush(QBrush(QColor("#EAEAEA"))) - painter.setPen(Qt.PenStyle.NoPen) - # Outer dark rim - painter.setBrush(QBrush(QColor("#111111"))) - painter.drawEllipse(QRectF(center_x - 110, center_y - 80, 220, 160)) - # White inner - painter.setBrush(QBrush(QColor("#EAEAEA"))) - painter.drawEllipse(QRectF(center_x - 100, center_y - 70, 200, 140)) - - # 2. Draw Iris - iris_x = center_x + self.gaze_current_x - iris_y = center_y + self.gaze_current_y - iris_radius = 35 - painter.setBrush(QBrush(QColor("#5DADE2"))) - painter.drawEllipse(QRectF(iris_x - iris_radius, iris_y - iris_radius, iris_radius*2, iris_radius*2)) - - # 3. Draw Pupil - pupil_radius = 15 - painter.setBrush(QBrush(QColor("black"))) - painter.drawEllipse(QRectF(iris_x - pupil_radius, iris_y - pupil_radius, pupil_radius*2, pupil_radius*2)) - - # 4. Highlight - highlight_x = iris_x + 10 - highlight_y = iris_y - 10 - painter.setBrush(QBrush(QColor("white"))) - painter.drawEllipse(QRectF(highlight_x - 5, highlight_y - 5, 8, 8)) - - # 5. Draw Text - dots = "." * self.ellipsis_count - text = f"Processing{dots}" - font = QFont("Century Gothic", 14, QFont.Weight.Bold) - painter.setFont(font) - painter.setPen(QColor("white")) - - text_rect = QRectF(0, center_y + 90, self.width(), 40) - painter.drawText(text_rect, Qt.AlignmentFlag.AlignCenter, text) - - -# --- Worker Thread for Long Running Tasks --- -class WorkerThread(QThread): - finished_signal = pyqtSignal(bool, str) # success, message - - def __init__(self, mode, params): - super().__init__() - self.mode = mode - self.params = params - - def run(self): - try: - if self.mode == 'predictions': - if run_optics_predictions is None: - raise ImportError("run_optics_predictions module not found.") - - # Unpack params - pred_df, output_path = run_optics_predictions( - input_sequence=self.params['input_sequence'], - pred_dir=self.params['pred_dir'], - output=self.params['output'], - model=self.params['model'], - encoding_method=self.params['encoding_method'], - blastp=self.params['blastp'], - iden_report=self.params['iden_report'], - refseq=self.params['refseq'], - reffile=self.params['reffile'], - bootstrap=self.params['bootstrap'], - visualize_bootstrap=self.params['visualize_bootstrap'], - bootstrap_viz_file=self.params['bootstrap_viz_file'], - save_as=self.params['save_as'], - full_spectrum_xaxis=self.params['full_spectrum_xaxis'], - model_version=self.params['model_version'], - tolerate_non_standard_aa=self.params['tolerate_non_standard_aa'], - tolerate_incomplete_seqs=self.params['tolerate_incomplete_seqs'] - ) - msg = f"Results are in: {os.path.dirname(output_path)}" if output_path else "Run complete." - self.finished_signal.emit(True, f"OPTICS predictions completed successfully!\n{msg}") - - elif self.mode == 'shap': - if generate_shap_explanation is None: - raise ImportError("generate_shap_explanation module not found.") - - generate_shap_explanation( - input_file=self.params['input_file'], - pred_dir=self.params['pred_dir'], - output=self.params['output'], - save_as=self.params['save_as'], - model=self.params['model'], - encoding_method=self.params['encoding_method'], - model_version=self.params['model_version'], - cmd_line="GUI_Execution", - mode=self.params['shap_mode'], - n_positions=self.params['n_positions'], - use_reference_sites=self.params['use_reference_sites'] - ) - self.finished_signal.emit(True, f"SHAP analysis completed successfully!\nResults are in: {self.params['pred_dir']}") - - except Exception as e: - tb = traceback.format_exc() - print(f"\n--- ERROR ---\n{tb}") # This goes to the GUI log via stdout redirect - self.finished_signal.emit(False, str(e)) - - -# --- Mode Selector Dialog --- -class ModeSelectorDialog(QDialog): - def __init__(self): - super().__init__() - self.setWindowTitle("Select OPTICS Mode") - self.setFixedSize(500, 400) - self.selected_mode = None - - layout = QVBoxLayout(self) - layout.setSpacing(20) - layout.setContentsMargins(40, 40, 40, 40) - - # Logo/Title - title_lbl = QLabel("Welcome to OPTICS") - title_lbl.setStyleSheet("font-family: 'Century Gothic'; font-size: 24px; font-weight: bold;") - title_lbl.setAlignment(Qt.AlignmentFlag.AlignCenter) - layout.addWidget(title_lbl) - - sub_lbl = QLabel("Select your analysis pipeline:") - sub_lbl.setStyleSheet("font-family: 'Century Gothic'; font-size: 14px;") - sub_lbl.setAlignment(Qt.AlignmentFlag.AlignCenter) - layout.addWidget(sub_lbl) - - # Buttons - btn_style = """ - QPushButton { - font-family: 'Century Gothic'; - font-size: 16px; - padding: 15px; - background-color: #3E3E3E; - color: white; - border-radius: 5px; - } - QPushButton:hover { background-color: #505050; } - """ - - pred_btn = QPushButton("Standard Predictions\n(Spectral Tuning)") - pred_btn.setStyleSheet(btn_style) - pred_btn.clicked.connect(lambda: self.select_mode('predictions')) - layout.addWidget(pred_btn) - - shap_btn = QPushButton("SHAP Interpretation\n(Feature Importance)") - shap_btn.setStyleSheet(btn_style) - shap_btn.clicked.connect(lambda: self.select_mode('shap')) - layout.addWidget(shap_btn) - - def select_mode(self, mode): - self.selected_mode = mode - self.accept() - - -# --- Main Window --- -class OpticsMainWindow(QMainWindow): - def __init__(self, mode): - super().__init__() - self.mode = mode - self.init_ui() - self.init_logging() - - def init_ui(self): - title_suffix = "Predictions" if self.mode == 'predictions' else "SHAP Analysis" - self.setWindowTitle(f"OPTICS: {title_suffix}") - self.resize(1000, 950) - - # Central Widget & Layout - central_widget = QWidget() - self.setCentralWidget(central_widget) - main_layout = QVBoxLayout(central_widget) - - # --- Top Bar --- - top_bar = QHBoxLayout() - header_lbl = QLabel(f"OPTICS: {title_suffix}") - header_lbl.setStyleSheet("font-family: 'Century Gothic'; font-size: 20px; font-weight: bold;") - top_bar.addWidget(header_lbl) - - top_bar.addStretch() - - self.theme_btn = QPushButton("Toggle Theme") # Placeholder, logic handled by Palette mostly - self.theme_btn.clicked.connect(self.toggle_theme) - top_bar.addWidget(self.theme_btn) - main_layout.addLayout(top_bar) - - # --- Scroll Area --- - scroll = QScrollArea() - scroll.setWidgetResizable(True) - scroll.setFrameShape(QFrame.Shape.NoFrame) - content_widget = QWidget() - self.form_layout = QVBoxLayout(content_widget) - self.form_layout.setSpacing(15) - scroll.setWidget(content_widget) - main_layout.addWidget(scroll) - - # --- Common Inputs --- - common_group = QGroupBox("General Options") - common_layout = QVBoxLayout() # Use VBox for rows of HBox - common_group.setLayout(common_layout) - - # Helper to create file inputs - def create_file_input(label_text, btn_cmd): - row = QHBoxLayout() - lbl = QLabel(label_text) - lbl.setFixedWidth(180) - entry = QLineEdit() - btn = QPushButton("Browse...") - btn.clicked.connect(btn_cmd) - row.addWidget(lbl) - row.addWidget(entry) - row.addWidget(btn) - common_layout.addLayout(row) - return entry - - # Helper for combos - def create_combo_input(label_text, choices): - row = QHBoxLayout() - lbl = QLabel(label_text) - lbl.setFixedWidth(180) - combo = QComboBox() - combo.addItems(choices) - row.addWidget(lbl) - row.addWidget(combo) - common_layout.addLayout(row) - return combo - - self.input_file_edit = create_file_input("Input Sequence/FASTA:", self.browse_input) - self.output_dir_edit = create_file_input("Output Directory:", self.browse_output) - - # Output Prefix - row_prefix = QHBoxLayout() - lbl_prefix = QLabel("Output Filename Prefix:") - lbl_prefix.setFixedWidth(180) - self.prefix_edit = QLineEdit() - row_prefix.addWidget(lbl_prefix) - row_prefix.addWidget(self.prefix_edit) - common_layout.addLayout(row_prefix) - - # Combos - self.version_choices = ['vpod_1.3'] - self.model_choices = ['whole-dataset', 'wildtype', 'vertebrate', 'invertebrate', - 'wildtype-vert', 'type-one', 'whole-dataset-mnm', - 'wildtype-mnm', 'vertebrate-mnm', 'invertebrate-mnm', - 'wildtype-vert-mnm', 'wildtype-mut'] - self.encoding_choices = ['one_hot', 'aa_prop'] - self.viz_ftyp_choices = ['svg', 'png', 'pdf'] - self.refseq_choices = ['bovine', 'squid', 'microbe', 'custom'] - - self.version_combo = create_combo_input("Model Version:", self.version_choices) - self.model_combo = create_combo_input("Model:", self.model_choices) - self.encoding_combo = create_combo_input("Encoding Method:", self.encoding_choices) - self.encoding_combo.setCurrentIndex(1) # aa_prop default - - self.form_layout.addWidget(common_group) - - # --- Mode Specific Widgets --- - if self.mode == 'predictions': - self.setup_predictions_ui() - else: - self.setup_shap_ui() - - # --- Run Button --- - btn_text = "Run OPTICS Predictions" if self.mode == 'predictions' else "Run SHAP Analysis" - self.run_btn = QPushButton(btn_text) - self.run_btn.setMinimumHeight(50) - self.run_btn.setStyleSheet("font-size: 16px; font-weight: bold; margin-top: 10px;") - self.run_btn.clicked.connect(self.start_process) - self.form_layout.addWidget(self.run_btn) - - # --- Log Output --- - log_group = QGroupBox("Output Log") - log_layout = QVBoxLayout() - self.log_output = QTextEdit() - self.log_output.setReadOnly(True) - self.log_output.setMinimumHeight(200) - self.log_output.setStyleSheet("font-family: Consolas, monospace; font-size: 10pt;") - log_layout.addWidget(self.log_output) - log_group.setLayout(log_layout) - self.form_layout.addWidget(log_group) - - def setup_predictions_ui(self): - # Toggles - self.tol_non_std_cb = QCheckBox("Tolerate non-standard Amino Acids") - self.tol_non_std_cb.setChecked(True) - self.form_layout.addWidget(self.tol_non_std_cb) - - self.tol_incomp_cb = QCheckBox("Tolerate Incomplete Sequences (<250 or >650 AA)") - self.form_layout.addWidget(self.tol_incomp_cb) - - # BLASTp Options - self.blast_group = QGroupBox("BLASTp Options") - self.blast_group.setCheckable(True) - self.blast_group.setChecked(True) - blast_layout = QFormLayout() - - self.blast_report_edit = QLineEdit("blastp_report.txt") - blast_layout.addRow("BLASTp Report Filename:", self.blast_report_edit) - - self.refseq_combo = QComboBox() - self.refseq_combo.addItems(self.refseq_choices) - self.refseq_combo.currentTextChanged.connect(self.toggle_custom_ref) - blast_layout.addRow("Reference Sequence:", self.refseq_combo) - - ref_file_layout = QHBoxLayout() - self.custom_ref_edit = QLineEdit() - self.custom_ref_btn = QPushButton("Browse...") - self.custom_ref_btn.clicked.connect(self.browse_custom_ref) - ref_file_layout.addWidget(self.custom_ref_edit) - ref_file_layout.addWidget(self.custom_ref_btn) - blast_layout.addRow("Custom Reference File:", ref_file_layout) - - self.blast_group.setLayout(blast_layout) - self.form_layout.addWidget(self.blast_group) - - # Trigger initial state - self.toggle_custom_ref(self.refseq_combo.currentText()) - - # Bootstrap Options - self.boot_group = QGroupBox("Bootstrap Options") - self.boot_group.setCheckable(True) - self.boot_group.setChecked(True) - boot_layout = QVBoxLayout() - - self.viz_boot_cb = QCheckBox("Visualize Bootstrap Predictions") - self.viz_boot_cb.setChecked(True) - self.viz_boot_cb.toggled.connect(self.toggle_boot_viz) - boot_layout.addWidget(self.viz_boot_cb) - - # Viz sub-options - self.viz_container = QWidget() - viz_layout = QFormLayout(self.viz_container) - self.boot_viz_edit = QLineEdit("bootstrap_viz") - viz_layout.addRow("Bootstrap Viz Filename:", self.boot_viz_edit) - - self.viz_type_combo = QComboBox() - self.viz_type_combo.addItems(self.viz_ftyp_choices) - viz_layout.addRow("Viz Filetype:", self.viz_type_combo) - - self.full_xaxis_cb = QCheckBox("Enable Full-Spectrum X-axis (300-650nm)") - viz_layout.addRow(self.full_xaxis_cb) - - boot_layout.addWidget(self.viz_container) - self.boot_group.setLayout(boot_layout) - self.form_layout.addWidget(self.boot_group) - - def setup_shap_ui(self): - shap_group = QGroupBox("SHAP Interpretation Options") - shap_layout = QFormLayout() - - self.shap_mode_combo = QComboBox() - self.shap_mode_combo.addItems(['both', 'comparison', 'single']) - shap_layout.addRow("Analysis Mode:", self.shap_mode_combo) - - self.n_pos_edit = QLineEdit("10") - shap_layout.addRow("Top N Features:", self.n_pos_edit) - - self.use_ref_cb = QCheckBox("Use Reference Numbering") - shap_layout.addRow(self.use_ref_cb) - - self.shap_save_combo = QComboBox() - self.shap_save_combo.addItems(self.viz_ftyp_choices) - shap_layout.addRow("Save Visualizations As:", self.shap_save_combo) - - shap_group.setLayout(shap_layout) - self.form_layout.addWidget(shap_group) - - def init_logging(self): - # Redirect stdout/stderr - self.redirector = StreamRedirector() - self.redirector.text_written.connect(self.append_log) - sys.stdout = self.redirector - sys.stderr = self.redirector - - def append_log(self, text): - self.log_output.moveCursor(self.log_output.textCursor().MoveOperation.End) - self.log_output.insertPlainText(text) - self.log_output.ensureCursorVisible() - - # --- Interaction Slots --- - - def toggle_theme(self): - # This is a basic switch. Ideally, use pyqtdarktheme or a full stylesheet. - # We implemented a default Dark Fusion palette below in main(). - # Reverting to light is tricky without storing the original palette, - # but for this snippet we'll just toggle a flag (functionality omitted for brevity - # as standard Qt palettes are global). - QMessageBox.information(self, "Theme", "Theme toggling requires restarting or advanced palette management in PyQt.") - - def browse_input(self): - fname, _ = QFileDialog.getOpenFileName(self, "Select Input FASTA", "", "FASTA (*.fasta *.fa *.fna);;Text (*.txt);;All (*.*)") - if fname: self.input_file_edit.setText(fname) - - def browse_output(self): - dname = QFileDialog.getExistingDirectory(self, "Select Output Directory") - if dname: self.output_dir_edit.setText(dname) - - def browse_custom_ref(self): - fname, _ = QFileDialog.getOpenFileName(self, "Select Custom Reference", "", "FASTA (*.fasta *.fa);;All (*.*)") - if fname: self.custom_ref_edit.setText(fname) - - def toggle_custom_ref(self, text): - enabled = (text == "custom" and self.blast_group.isChecked()) - self.custom_ref_edit.setEnabled(enabled) - self.custom_ref_btn.setEnabled(enabled) - - def toggle_boot_viz(self, checked): - self.viz_container.setEnabled(checked) - - # --- Processing --- - - def start_process(self): - # Validation - if not self.input_file_edit.text(): - QMessageBox.critical(self, "Input Error", "Please specify an input file.") - return - - # Prepare Params - params = { - 'input_file': self.input_file_edit.text(), # For SHAP - 'input_sequence': self.input_file_edit.text(), # For Preds - 'pred_dir': self.output_dir_edit.text() or os.path.join(os.getcwd(), 'prediction_outputs'), - 'output': self.prefix_edit.text() or "optics_results", - 'model_version': self.version_combo.currentText(), - 'model': self.model_combo.currentText(), - 'encoding_method': self.encoding_combo.currentText(), - } - - if self.mode == 'predictions': - params.update({ - 'tolerate_non_standard_aa': self.tol_non_std_cb.isChecked(), - 'tolerate_incomplete_seqs': self.tol_incomp_cb.isChecked(), - 'blastp': self.blast_group.isChecked(), - 'iden_report': self.blast_report_edit.text(), - 'refseq': self.refseq_combo.currentText(), - 'reffile': self.custom_ref_edit.text() if self.refseq_combo.currentText() == "custom" else None, - 'bootstrap': self.boot_group.isChecked(), - 'visualize_bootstrap': self.viz_boot_cb.isChecked(), - 'bootstrap_viz_file': self.boot_viz_edit.text(), - 'save_as': self.viz_type_combo.currentText(), - 'full_spectrum_xaxis': self.full_xaxis_cb.isChecked() - }) - else: - try: - n_pos = int(self.n_pos_edit.text()) - except ValueError: - n_pos = 10 - - params.update({ - 'shap_mode': self.shap_mode_combo.currentText(), - 'n_positions': n_pos, - 'use_reference_sites': self.use_ref_cb.isChecked(), - 'save_as': self.shap_save_combo.currentText() - }) - - # UI State - self.run_btn.setEnabled(False) - self.log_output.clear() - print(f"Starting {self.mode.upper()} analysis...") - - # Loading Screen - self.loading_screen = HumanEyeLoadingScreen(self) - self.loading_screen.show() - - # Thread - self.worker = WorkerThread(self.mode, params) - self.worker.finished_signal.connect(self.on_process_finished) - self.worker.start() - - def on_process_finished(self, success, message): - self.loading_screen.stop_animation() - self.loading_screen.close() - self.run_btn.setEnabled(True) - - if success: - QMessageBox.information(self, "Success", message) - else: - QMessageBox.critical(self, "Error", f"An error occurred:\n{message}") - - -def set_dark_theme(app): - """Manually apply a Fusion Dark Theme.""" - app.setStyle("Fusion") - palette = QPalette() - palette.setColor(QPalette.ColorRole.Window, QColor(53, 53, 53)) - palette.setColor(QPalette.ColorRole.WindowText, Qt.GlobalColor.white) - palette.setColor(QPalette.ColorRole.Base, QColor(25, 25, 25)) - palette.setColor(QPalette.ColorRole.AlternateBase, QColor(53, 53, 53)) - palette.setColor(QPalette.ColorRole.ToolTipBase, Qt.GlobalColor.white) - palette.setColor(QPalette.ColorRole.ToolTipText, Qt.GlobalColor.white) - palette.setColor(QPalette.ColorRole.Text, Qt.GlobalColor.white) - palette.setColor(QPalette.ColorRole.Button, QColor(53, 53, 53)) - palette.setColor(QPalette.ColorRole.ButtonText, Qt.GlobalColor.white) - palette.setColor(QPalette.ColorRole.BrightText, Qt.GlobalColor.red) - palette.setColor(QPalette.ColorRole.Link, QColor(42, 130, 218)) - palette.setColor(QPalette.ColorRole.Highlight, QColor(42, 130, 218)) - palette.setColor(QPalette.ColorRole.HighlightedText, Qt.GlobalColor.black) - app.setPalette(palette) - - -def main(): - app = QApplication(sys.argv) - - # Set global font - font = QFont("Century Gothic", 10) - app.setFont(font) - - set_dark_theme(app) - - # 1. Selector - selector = ModeSelectorDialog() - if selector.exec() == QDialog.DialogCode.Accepted: - # 2. Main Window - mode = selector.selected_mode - window = OpticsMainWindow(mode) - window.show() - sys.exit(app.exec()) - else: - sys.exit(0) - -if __name__ == "__main__": - main() \ No newline at end of file diff --git a/run_optics_gui_v2.py b/run_optics_gui_v2.py deleted file mode 100644 index e190cc4f..00000000 --- a/run_optics_gui_v2.py +++ /dev/null @@ -1,658 +0,0 @@ -import tkinter as tk -import tkinter.font as tkFont -import sv_ttk -from tkinter import ttk, filedialog, scrolledtext, messagebox -import threading -import sys -import os -import math -import random - -import warnings -warnings.filterwarnings("ignore") -warnings.simplefilter('ignore') - -# Attempt to import the run_optics_predictions function -try: - from optics_predictions import run_optics_predictions -except ImportError: - messagebox.showerror("Import Error", "Could not import 'run_optics_predictions' from 'optics_predictions.py'. Make sure the script is in the same directory.") - sys.exit(1) - -# Attempt to import the generate_shap_explanation function -try: - from optics_shap import generate_shap_explanation -except ImportError: - # We don't exit here strictly, just warn, in case user only wants predictions - print("Warning: Could not import 'generate_shap_explanation' from 'optics_shap.py'. SHAP mode will fail if selected.") - -# --- Eye Animation Class --- -class HumanEyeLoadingScreen(tk.Toplevel): - """ - A modal loading screen with an animated eye that looks around in multiple - directions. The loading text has an animated ellipsis. - """ - def __init__(self, parent): - super().__init__(parent) - self.parent = parent - self.withdraw() # Hide window until it's configured - - # --- Configuration --- - self.title("Processing...") - self.geometry("400x300") - self.resizable(False, False) - self.transient(parent) - self.grab_set() - - # Center the loading screen over the parent window - parent_x = parent.winfo_x() - parent_y = parent.winfo_y() - parent_width = parent.winfo_width() - parent_height = parent.winfo_height() - self.after(10, lambda: self.geometry(f"400x300+{parent_x + (parent_width // 2) - 200}+{parent_y + (parent_height // 2) - 150}")) - - # --- Widgets --- - self.canvas = tk.Canvas(self, bg="#1c1c1c", highlightthickness=0) - self.canvas.pack(fill=tk.BOTH, expand=True) - - self.loading_label = ttk.Label( - self.canvas, - text="Processing", - font=("Century Gothic", 14, "bold"), - background="#1c1c1c", - foreground="white" # Set a static white color - ) - self.canvas.create_window(200, 265, window=self.loading_label) - - # --- Animation State --- - self.animation_running = False - self.animation_id = None - self.ellipsis_count = 0 - - # --- Eye Animation Specifics --- - self.gaze_current_x = 0.0 - self.gaze_target_x = 0.0 - self.gaze_current_y = 0.0 - self.gaze_target_y = 0.0 - - self.gaze_positions = [ - (-40, -25), (45, 20), (0, 0), (30, 25), (-20, -20), (0, 0), - (-45, 0), (45, 0), (0, 30), (0, -30), (0, 0) - ] - self.gaze_position_index = 0 - self.gaze_timer = 100 - - self.lift() - self.deiconify() - - def start_animation(self): - """Starts the eye and text animations.""" - self.animation_running = True - self.animate_eye() - self.animate_text() - - def stop_animation(self): - """Stops the animations and destroys the window.""" - self.animation_running = False - if self.animation_id: - self.after_cancel(self.animation_id) - self.destroy() - - def animate_text(self): - """Animates an ellipsis on the loading text.""" - if not self.animation_running: return - self.ellipsis_count = (self.ellipsis_count + 1) % 4 - dots = "." * self.ellipsis_count - self.loading_label.config(text=f"Processing{dots}") - self.after(400, self.animate_text) - - def animate_eye(self): - """The main animation loop for the eye's movement.""" - if not self.animation_running: return - - self.gaze_timer -= 1 - if self.gaze_timer <= 0: - self.gaze_position_index = (self.gaze_position_index + 1) % len(self.gaze_positions) - self.gaze_target_x, self.gaze_target_y = self.gaze_positions[self.gaze_position_index] - - if self.gaze_target_x == 0 and self.gaze_target_y == 0: - self.gaze_timer = random.randint(100, 150) - else: - self.gaze_timer = random.randint(40, 80) - - self.gaze_current_x += (self.gaze_target_x - self.gaze_current_x) * 0.1 - self.gaze_current_y += (self.gaze_target_y - self.gaze_current_y) * 0.1 - - self.canvas.delete("all") - self.canvas.create_window(200, 265, window=self.loading_label) - center_x, center_y = 200, 130 - - self.canvas.create_oval(center_x - 110, center_y - 80, center_x + 110, center_y + 80, fill="#111111", outline="") - self.canvas.create_oval(center_x - 100, center_y - 70, center_x + 100, center_y + 70, fill="#EAEAEA", outline="") - - iris_x = center_x + self.gaze_current_x - iris_y = center_y + self.gaze_current_y - iris_radius = 35 - pupil_radius = 15 - self.canvas.create_oval(iris_x - iris_radius, iris_y - iris_radius, iris_x + iris_radius, iris_y + iris_radius, fill="#5DADE2", outline="") - self.canvas.create_oval(iris_x - pupil_radius, iris_y - pupil_radius, iris_x + pupil_radius, iris_y + pupil_radius, fill="black", outline="") - - highlight_x = iris_x + 10 - highlight_y = iris_y - 10 - self.canvas.create_oval(highlight_x - 5, highlight_y - 5, highlight_x + 3, highlight_y + 3, fill="white", outline="") - - self.animation_id = self.after(30, self.animate_eye) - - -class ModeSelector(tk.Tk): - """ - Startup dialog to select between Predictions and SHAP analysis. - """ - def __init__(self): - super().__init__() - self.title("Select OPTICS Mode") - self.geometry("500x400") - self.resizable(False, False) - self.selected_mode = None - - sv_ttk.set_theme("dark") - - # Logo - self.logo_icon_display_path = "./data/logo/optics_logo_resized.png" - try: - self.logo_icon_img = tk.PhotoImage(file=self.logo_icon_display_path) - self.iconphoto(True, self.logo_icon_img) - except tk.TclError: - self.logo_icon_img = None - - main_frame = ttk.Frame(self, padding="20") - main_frame.pack(fill=tk.BOTH, expand=True) - - if self.logo_icon_img: - logo_lbl = ttk.Label(main_frame, image=self.logo_icon_img) - logo_lbl.pack(pady=(0, 10)) - - title_lbl = ttk.Label(main_frame, text="Welcome to OPTICS", font=("Century Gothic", 18, "bold")) - title_lbl.pack(pady=10) - - subtitle_lbl = ttk.Label(main_frame, text="Select your analysis pipeline:", font=("Century Gothic", 12)) - subtitle_lbl.pack(pady=(0, 20)) - - # Buttons - style = ttk.Style() - style.configure("Big.TButton", font=("Century Gothic", 12)) - - pred_btn = ttk.Button(main_frame, text="Standard Predictions\n(Spectral Tuning)", style="Big.TButton", command=self.select_predictions) - pred_btn.pack(fill=tk.X, pady=10, ipady=10) - - shap_btn = ttk.Button(main_frame, text="SHAP Interpretation\n(Feature Importance)", style="Big.TButton", command=self.select_shap) - shap_btn.pack(fill=tk.X, pady=10, ipady=10) - - # Centering - self.eval('tk::PlaceWindow . center') - - def select_predictions(self): - self.selected_mode = 'predictions' - self.destroy() - - def select_shap(self): - self.selected_mode = 'shap' - self.destroy() - - -class OpticsGUI(tk.Tk): - def __init__(self, mode='predictions'): - super().__init__() - self.mode = mode - - title_suffix = "Predictions" if mode == 'predictions' else "SHAP Analysis" - self.title(f"OPTICS: {title_suffix}") - self.geometry("1000x950") - - # --- Define a default font --- - default_font_family = "Century Gothic" - default_font_size = 10 - style = ttk.Style(self) - style.configure(".", font=(default_font_family, default_font_size)) - - # --- Logo and Window Icon --- - self.logo_icon_display_path = "./data/logo/optics_logo_resized.png" - try: - self.logo_icon_img = tk.PhotoImage(file=self.logo_icon_display_path) - self.iconphoto(True, self.logo_icon_img) - except tk.TclError: - self.logo_icon_img = None - - sv_ttk.set_theme("dark") - self.dark_mode_enabled = True - - # --- Choices --- - self.version_choices = ['vpod_1.3'] - self.model_choices = ['whole-dataset', 'wildtype', 'vertebrate', 'invertebrate', - 'wildtype-vert', 'type-one', 'whole-dataset-mnm', - 'wildtype-mnm', 'vertebrate-mnm', 'invertebrate-mnm', - 'wildtype-vert-mnm', 'wildtype-mut'] - self.encoding_choices = ['one_hot', 'aa_prop'] - self.refseq_choices = ['bovine', 'squid', 'microbe', 'custom'] - self.viz_ftyp_choices = ['svg', 'png', 'pdf'] - - # SHAP specific choices - self.shap_mode_choices = ['both', 'comparison', 'single'] - - # --- Top Frame --- - top_bar_frame = ttk.Frame(self) - top_bar_frame.pack(fill=tk.X, padx=10, pady=(10,0)) - - header_text = f"OPTICS: {title_suffix}" - if self.logo_icon_img: - gui_logo_label = ttk.Label(top_bar_frame, image=self.logo_icon_img, text=header_text, font=("Century Gothic", 16, "bold"), compound="left") - gui_logo_label.pack(side=tk.LEFT, padx=(0,10)) - gui_logo_label.image = self.logo_icon_img - else: - gui_logo_label = ttk.Label(top_bar_frame, text=header_text, font=("Century Gothic", 16, "bold")) - gui_logo_label.pack(side=tk.LEFT, padx=(0,10)) - - - self.theme_toggle_button = ttk.Button(top_bar_frame, text="Toggle Light Mode", command=self.toggle_theme) - self.theme_toggle_button.pack(side=tk.RIGHT, padx=(0,5)) - - # --- Main Frame --- - main_frame = ttk.Frame(self, padding="10") - main_frame.pack(fill=tk.BOTH, expand=True) - - canvas = tk.Canvas(main_frame) - scrollbar = ttk.Scrollbar(main_frame, orient="vertical", command=canvas.yview) - scrollable_frame = ttk.Frame(canvas) - - scrollable_frame.bind( - "", - lambda e: canvas.configure( - scrollregion=canvas.bbox("all") - ) - ) - - canvas.create_window((0, 0), window=scrollable_frame, anchor="nw") - canvas.configure(yscrollcommand=scrollbar.set) - - canvas.pack(side="left", fill="both", expand=True) - scrollbar.pack(side="right", fill="y") - - # --- COMMON INPUT WIDGETS --- - current_row = 0 - scrollable_frame.columnconfigure(1, weight=1) - - # Input - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Input Sequence/FASTA File:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.input_file_var = tk.StringVar() - ttk.Entry(scrollable_frame, textvariable=self.input_file_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - ttk.Button(scrollable_frame, text="Browse...", command=self.browse_input_file).grid(row=current_row, column=2, padx=5, pady=5) - current_row += 1 - - # Output - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Directory:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.output_dir_var = tk.StringVar() - ttk.Entry(scrollable_frame, textvariable=self.output_dir_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - ttk.Button(scrollable_frame, text="Browse...", command=self.browse_output_dir).grid(row=current_row, column=2, padx=5, pady=5) - current_row += 1 - - # Prefix - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Filename Prefix:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.prediction_prefix_var = tk.StringVar() - ttk.Entry(scrollable_frame, textvariable=self.prediction_prefix_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - # Version - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Model Version:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.version_var = tk.StringVar(value=self.version_choices[0]) - ttk.Combobox(scrollable_frame, textvariable=self.version_var, values=self.version_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - # Model - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Model:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.model_var = tk.StringVar(value=self.model_choices[0]) - ttk.Combobox(scrollable_frame, textvariable=self.model_var, values=self.model_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - # Encoding - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Encoding Method:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.encoding_var = tk.StringVar(value=self.encoding_choices[1]) - ttk.Combobox(scrollable_frame, textvariable=self.encoding_var, values=self.encoding_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - # --- MODE SPECIFIC WIDGETS --- - - if self.mode == 'predictions': - # -- Prediction specific options -- - - # Tolerances - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Tolerate Non-standard AAs:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.non_standard_aa_var = tk.BooleanVar(value=True) - self.non_standard_aa_check = ttk.Checkbutton(scrollable_frame, text="Enable to predict on sequences with non-standard amino-acids", variable=self.non_standard_aa_var) - self.non_standard_aa_check.grid(row=current_row, column=1, columnspan=2, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Tolerate Incomplete Seqs:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.incomp_seqs_var = tk.BooleanVar(value=False) - self.incomp_seqs_check = ttk.Checkbutton(scrollable_frame, text="Enable to predict on sequences outside range of 250-650 amino-acids", variable=self.incomp_seqs_var) - self.incomp_seqs_check.grid(row=current_row, column=1, columnspan=2, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - # BLASTp Frame - blastp_frame = ttk.LabelFrame(scrollable_frame, text="BLASTp Options", padding="10") - blastp_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) - current_row += 1 - - self.blastp_enabled_var = tk.BooleanVar(value=True) - self.blastp_check = ttk.Checkbutton(blastp_frame, text="Enable BLASTp Analysis", variable=self.blastp_enabled_var, command=self.toggle_blastp_options) - self.blastp_check.grid(row=0, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) - - ttk.Label(blastp_frame, font=("Century Gothic", 12), text="BLASTp Report Filename:").grid(row=1, column=0, padx=5, pady=5, sticky=tk.W) - self.blastp_report_var = tk.StringVar(value="blastp_report.txt") - self.blastp_report_entry = ttk.Entry(blastp_frame, textvariable=self.blastp_report_var, width=50) - self.blastp_report_entry.grid(row=1, column=1, padx=5, pady=5, sticky=tk.EW) - - ttk.Label(blastp_frame, font=("Century Gothic", 12), text="Reference Sequence:").grid(row=2, column=0, padx=5, pady=5, sticky=tk.W) - self.refseq_var = tk.StringVar(value=self.refseq_choices[0]) - self.refseq_combo = ttk.Combobox(blastp_frame, textvariable=self.refseq_var, values=self.refseq_choices, state="readonly", width=47) - self.refseq_combo.grid(row=2, column=1, padx=5, pady=5, sticky=tk.EW) - self.refseq_combo.bind("<>", self.toggle_custom_ref_file) - - ttk.Label(blastp_frame, font=("Century Gothic", 12), text="Custom Reference File:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) - self.custom_ref_file_var = tk.StringVar() - self.custom_ref_file_entry = ttk.Entry(blastp_frame, textvariable=self.custom_ref_file_var, width=50) - self.custom_ref_file_entry.grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) - self.custom_ref_file_button = ttk.Button(blastp_frame, text="Browse...", command=self.browse_custom_ref_file) - self.custom_ref_file_button.grid(row=3, column=2, padx=5, pady=5) - - # Bootstrap Frame - bootstrap_frame = ttk.LabelFrame(scrollable_frame, text="Bootstrap Options", padding="10") - bootstrap_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) - current_row += 1 - - self.bootstrap_enabled_var = tk.BooleanVar(value=True) - self.bootstrap_check = ttk.Checkbutton(bootstrap_frame, text="Enable Bootstrap Predictions", variable=self.bootstrap_enabled_var, command=self.toggle_bootstrap_options) - self.bootstrap_check.grid(row=0, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) - - self.visualize_bootstrap_var = tk.BooleanVar(value=True) - self.visualize_check = ttk.Checkbutton(bootstrap_frame, text="Visualize Bootstrap Predictions", variable=self.visualize_bootstrap_var, command=self.toggle_bootstrap_options) - self.visualize_check.grid(row=1, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) - - ttk.Label(bootstrap_frame, font=("Century Gothic", 12), text="Bootstrap Viz Filename:").grid(row=2, column=0, padx=5, pady=5, sticky=tk.W) - self.bootstrap_viz_file_var = tk.StringVar(value="bootstrap_viz") - self.bootstrap_viz_entry = ttk.Entry(bootstrap_frame, textvariable=self.bootstrap_viz_file_var, width=50) - self.bootstrap_viz_entry.grid(row=2, column=1, padx=5, pady=5, sticky=tk.EW) - - ttk.Label(bootstrap_frame, font=("Century Gothic", 12), text="Viz Filetype:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) - self.bootstrap_fytp_var = tk.StringVar(value=self.viz_ftyp_choices[0]) - self.fytp_combo = ttk.Combobox(bootstrap_frame, textvariable=self.bootstrap_fytp_var, values=self.viz_ftyp_choices, state="readonly", width=47) - self.fytp_combo.grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) - - self.viz_xaxis_scale = tk.BooleanVar(value=False) - self.xaxis_check = ttk.Checkbutton(bootstrap_frame, text="Enable Full-Spectrum X-axis (300-650nm)", variable=self.viz_xaxis_scale) - self.xaxis_check.grid(row=4, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) - - # Init options - self.toggle_blastp_options() - self.toggle_bootstrap_options() - self.toggle_custom_ref_file() - - elif self.mode == 'shap': - # -- SHAP specific options -- - shap_frame = ttk.LabelFrame(scrollable_frame, text="SHAP Interpretation Options", padding="10") - shap_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) - current_row += 1 - - # Analysis Mode - ttk.Label(shap_frame, font=("Century Gothic", 12), text="Analysis Mode:").grid(row=0, column=0, padx=5, pady=5, sticky=tk.W) - self.shap_mode_var = tk.StringVar(value=self.shap_mode_choices[0]) - ttk.Combobox(shap_frame, textvariable=self.shap_mode_var, values=self.shap_mode_choices, state="readonly", width=47).grid(row=0, column=1, padx=5, pady=5, sticky=tk.EW) - - # N Positions - ttk.Label(shap_frame, font=("Century Gothic", 12), text="Top N Features to Show:").grid(row=1, column=0, padx=5, pady=5, sticky=tk.W) - self.n_positions_var = tk.IntVar(value=10) - ttk.Spinbox(shap_frame, from_=1, to=100, textvariable=self.n_positions_var, width=48).grid(row=1, column=1, padx=5, pady=5, sticky=tk.EW) - - # Use Reference Sites - self.use_ref_sites_var = tk.BooleanVar(value=False) - ttk.Checkbutton(shap_frame, text="Use Reference Numbering (e.g., Bovine Rhodopsin positions)", variable=self.use_ref_sites_var).grid(row=2, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) - - # Filetype - ttk.Label(shap_frame, font=("Century Gothic", 12), text="Save Visualizations As:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) - self.shap_save_as_var = tk.StringVar(value=self.viz_ftyp_choices[0]) - ttk.Combobox(shap_frame, textvariable=self.shap_save_as_var, values=self.viz_ftyp_choices, state="readonly", width=47).grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) - - - # --- Run Button --- - btn_text = "Run OPTICS Predictions" if self.mode == 'predictions' else "Run SHAP Analysis" - self.run_button = ttk.Button(scrollable_frame, text=btn_text, command=self.start_run_thread) - self.run_button.grid(row=current_row, column=0, columnspan=3, padx=5, pady=20) - current_row += 1 - - # --- Status/Output Area --- - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Log:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - current_row += 1 - self.output_text = scrolledtext.ScrolledText(scrollable_frame, wrap=tk.WORD, height=15, width=80, font=(default_font_family, default_font_size)) - self.output_text.grid(row=current_row, column=0, columnspan=3, padx=5, pady=5, sticky=tk.NSEW) - self.output_text.configure(state='disabled') - - scrollable_frame.columnconfigure(1, weight=1) - - # Redirect stdout and stderr - sys.stdout = TextRedirector(self.output_text, "stdout") - sys.stderr = TextRedirector(self.output_text, "stderr") - - # Loading Screen placeholder - self.loading_screen = None - - def toggle_theme(self): - if self.dark_mode_enabled: - sv_ttk.set_theme("light") - self.theme_toggle_button.configure(text="Toggle Dark Mode") - self.dark_mode_enabled = False - else: - sv_ttk.set_theme("dark") - self.theme_toggle_button.configure(text="Toggle Light Mode") - self.dark_mode_enabled = True - - def browse_input_file(self): - filename = filedialog.askopenfilename(title="Select Input FASTA File", - filetypes=(("FASTA files", "*.fasta *.fa *.fna *.faa *.fas"), - ("Text files", "*.txt"), - ("All files", "*.*"))) - if filename: - self.input_file_var.set(filename) - - def browse_output_dir(self): - dirname = filedialog.askdirectory(title="Select Output Directory") - if dirname: - self.output_dir_var.set(dirname) - - def browse_custom_ref_file(self): - filename = filedialog.askopenfilename(title="Select Custom Reference File", - filetypes=(("FASTA files", "*.fasta *.fa *.fna *.faa *.fas"), - ("All files", "*.*"))) - if filename: - self.custom_ref_file_var.set(filename) - - def toggle_blastp_options(self): - state = tk.NORMAL if self.blastp_enabled_var.get() else tk.DISABLED - self.blastp_report_entry.configure(state=state) - self.refseq_combo.configure(state="readonly" if state == tk.NORMAL else tk.DISABLED) - self.toggle_custom_ref_file() - - def toggle_custom_ref_file(self, event=None): - if not hasattr(self, 'blastp_enabled_var'): return - - blastp_on = self.blastp_enabled_var.get() - custom_ref_selected = self.refseq_var.get() == "custom" - - if blastp_on and custom_ref_selected: - self.custom_ref_file_entry.configure(state=tk.NORMAL) - self.custom_ref_file_button.configure(state=tk.NORMAL) - else: - self.custom_ref_file_entry.configure(state=tk.DISABLED) - self.custom_ref_file_button.configure(state=tk.DISABLED) - if not custom_ref_selected: - self.custom_ref_file_var.set("") - - def toggle_bootstrap_options(self): - bootstrap_state = tk.NORMAL if self.bootstrap_enabled_var.get() else tk.DISABLED - self.visualize_check.configure(state=bootstrap_state) - - visualize_state = tk.NORMAL if (self.bootstrap_enabled_var.get() and self.visualize_bootstrap_var.get()) else tk.DISABLED - self.bootstrap_viz_entry.configure(state=visualize_state) - self.xaxis_check.configure(state=visualize_state) - self.fytp_combo.configure(state="readonly" if visualize_state == tk.NORMAL else tk.DISABLED) - - - def log_message(self, message): - self.output_text.configure(state='normal') - self.output_text.insert(tk.END, message + "\n") - self.output_text.see(tk.END) - self.output_text.configure(state='disabled') - self.update_idletasks() - - def start_run_thread(self): - # Basic validation - if not self.input_file_var.get(): - messagebox.showerror("Input Error", "Please specify an input sequence/FASTA file.") - return - # Create default output dir if not specified - if not self.output_dir_var.get(): - self.output_dir_var.set(os.path.join(os.getcwd(), 'prediction_outputs')) - - self.run_button.config(state=tk.DISABLED) - self.output_text.configure(state='normal') - self.output_text.delete(1.0, tk.END) - self.output_text.configure(state='disabled') - - log_txt = "Starting OPTICS Predictions..." if self.mode == 'predictions' else "Starting SHAP Analysis..." - self.log_message(log_txt) - - self.loading_screen = HumanEyeLoadingScreen(self) - self.loading_screen.start_animation() - - thread = threading.Thread(target=self.run_predictions_logic, daemon=True) - thread.start() - - def run_predictions_logic(self): - try: - # Common arguments - input_val = self.input_file_var.get() - pred_dir_val = self.output_dir_var.get() - output_val = self.prediction_prefix_var.get() - if not output_val: output_val = "optics_results" - - version_val = self.version_var.get() - model_val = self.model_var.get() - encoding_val = self.encoding_var.get() - - if self.mode == 'predictions': - tol_non_stan_aa = self.non_standard_aa_var.get() - tol_incomp_seqs = self.incomp_seqs_var.get() - - blastp_val = self.blastp_enabled_var.get() - iden_report_val = self.blastp_report_var.get() if blastp_val else None - refseq_val = self.refseq_var.get() if blastp_val else "bovine" - reffile_val = self.custom_ref_file_var.get() if blastp_val and self.refseq_var.get() == "custom" else None - - bootstrap_val = self.bootstrap_enabled_var.get() - visualize_bootstrap_val = self.visualize_bootstrap_var.get() if bootstrap_val else False - bootstrap_viz_file_val = self.bootstrap_viz_file_var.get() if bootstrap_val and visualize_bootstrap_val else None - viz_ftyp_val = self.bootstrap_fytp_var.get() if bootstrap_val and visualize_bootstrap_val else None - xaxis_val = self.viz_xaxis_scale.get() if bootstrap_val and visualize_bootstrap_val else None - - pred_df, output_file_path = run_optics_predictions( - input_sequence=input_val, - pred_dir=pred_dir_val, - output=output_val, - model=model_val, - encoding_method=encoding_val, - blastp=blastp_val, - iden_report=iden_report_val, - refseq=refseq_val, - reffile=reffile_val, - bootstrap=bootstrap_val, - visualize_bootstrap=visualize_bootstrap_val, - bootstrap_viz_file=bootstrap_viz_file_val, - save_as=viz_ftyp_val, - full_spectrum_xaxis=xaxis_val, - model_version=version_val, - tolerate_non_standard_aa=tol_non_stan_aa, - tolerate_incomplete_seqs=tol_incomp_seqs - ) - - self.log_message(f"\n--- Predictions Complete ---") - if output_file_path: - messagebox.showinfo("Success", f"OPTICS predictions completed successfully!\nResults are in: {os.path.dirname(output_file_path)}") - - elif self.mode == 'shap': - # SHAP args - shap_mode = self.shap_mode_var.get() - n_pos = self.n_positions_var.get() - use_ref = self.use_ref_sites_var.get() - save_as = self.shap_save_as_var.get() - - generate_shap_explanation( - input_file=input_val, - pred_dir=pred_dir_val, - output=output_val, - save_as=save_as, - model=model_val, - encoding_method=encoding_val, - model_version=version_val, - cmd_line="GUI_Execution", - mode=shap_mode, - n_positions=n_pos, - use_reference_sites=use_ref - ) - self.log_message(f"\n--- SHAP Analysis Complete ---") - messagebox.showinfo("Success", f"SHAP analysis completed successfully!\nResults are in: {pred_dir_val}") - - except Exception as e: - self.log_message(f"\n--- ERROR ---") - self.log_message(f"An error occurred: {str(e)}") - import traceback - self.log_message(f"Traceback:\n{traceback.format_exc()}") - messagebox.showerror("Error", f"An error occurred: {e}") - finally: - self.run_button.config(state=tk.NORMAL) - if self.loading_screen: - self.after(0, self.loading_screen.stop_animation) - - -class TextRedirector(object): - def __init__(self, widget, tag="stdout"): - self.widget = widget - self.tag = tag - - def write(self, str_): - self.widget.configure(state='normal') - self.widget.insert(tk.END, str_, (self.tag,)) - self.widget.see(tk.END) - self.widget.configure(state='disabled') - self.widget.update_idletasks() - - def flush(self): - pass - - -def main(): - # 1. Run Selector - selector = ModeSelector() - selector.mainloop() - - # 2. Get Selection - mode = selector.selected_mode - - # 3. Launch Main App if selection was made - if mode: - app = OpticsGUI(mode=mode) - app.mainloop() - -if __name__ == "__main__": - script_dir = os.path.dirname(os.path.abspath(__file__)) - if script_dir not in sys.path: - sys.path.insert(0, script_dir) - - main() \ No newline at end of file diff --git a/run_optics_gui_v3.py b/run_optics_gui_v3.py deleted file mode 100644 index c26154ca..00000000 --- a/run_optics_gui_v3.py +++ /dev/null @@ -1,758 +0,0 @@ -import tkinter as tk -import tkinter.font as tkFont -import sv_ttk -from tkinter import ttk, filedialog, scrolledtext, messagebox -import threading -import sys -import os -import math -import random - -import warnings -warnings.filterwarnings("ignore") -warnings.simplefilter('ignore') - -# Attempt to import the run_optics_predictions function -try: - from optics_predictions import run_optics_predictions -except ImportError: - messagebox.showerror("Import Error", "Could not import 'run_optics_predictions' from 'optics_predictions.py'. Make sure the script is in the same directory.") - sys.exit(1) - -# Attempt to import the generate_shap_explanation function -try: - from optics_shap import generate_shap_explanation -except ImportError: - print("Warning: Could not import 'generate_shap_explanation' from 'optics_shap.py'. SHAP mode will fail if selected.") - -# Attempt to import the run_structural_mapping function -try: - from optics_structure_map import run_structural_mapping -except ImportError: - print("Warning: Could not import 'run_structural_mapping' from 'optics_structure_map.py'. Structure Mapping mode will fail if selected.") - - -# --- Eye Animation Class --- -class HumanEyeLoadingScreen(tk.Toplevel): - """ - A modal loading screen with an animated eye that looks around in multiple - directions. The loading text has an animated ellipsis. - """ - def __init__(self, parent): - super().__init__(parent) - self.parent = parent - self.withdraw() # Hide window until it's configured - - # --- Configuration --- - self.title("Processing...") - self.geometry("400x300") - self.resizable(False, False) - self.transient(parent) - self.grab_set() - - # Center the loading screen over the parent window - parent_x = parent.winfo_x() - parent_y = parent.winfo_y() - parent_width = parent.winfo_width() - parent_height = parent.winfo_height() - self.after(10, lambda: self.geometry(f"400x300+{parent_x + (parent_width // 2) - 200}+{parent_y + (parent_height // 2) - 150}")) - - # --- Widgets --- - self.canvas = tk.Canvas(self, bg="#1c1c1c", highlightthickness=0) - self.canvas.pack(fill=tk.BOTH, expand=True) - - self.loading_label = ttk.Label( - self.canvas, - text="Processing", - font=("Century Gothic", 14, "bold"), - background="#1c1c1c", - foreground="white" # Set a static white color - ) - self.canvas.create_window(200, 265, window=self.loading_label) - - # --- Animation State --- - self.animation_running = False - self.animation_id = None - self.ellipsis_count = 0 - - # --- Eye Animation Specifics --- - self.gaze_current_x = 0.0 - self.gaze_target_x = 0.0 - self.gaze_current_y = 0.0 - self.gaze_target_y = 0.0 - - self.gaze_positions = [ - (-40, -25), (45, 20), (0, 0), (30, 25), (-20, -20), (0, 0), - (-45, 0), (45, 0), (0, 30), (0, -30), (0, 0) - ] - self.gaze_position_index = 0 - self.gaze_timer = 100 - - self.lift() - self.deiconify() - - def start_animation(self): - """Starts the eye and text animations.""" - self.animation_running = True - self.animate_eye() - self.animate_text() - - def stop_animation(self): - """Stops the animations and destroys the window.""" - self.animation_running = False - if self.animation_id: - self.after_cancel(self.animation_id) - self.destroy() - - def animate_text(self): - """Animates an ellipsis on the loading text.""" - if not self.animation_running: return - self.ellipsis_count = (self.ellipsis_count + 1) % 4 - dots = "." * self.ellipsis_count - self.loading_label.config(text=f"Processing{dots}") - self.after(400, self.animate_text) - - def animate_eye(self): - """The main animation loop for the eye's movement.""" - if not self.animation_running: return - - self.gaze_timer -= 1 - if self.gaze_timer <= 0: - self.gaze_position_index = (self.gaze_position_index + 1) % len(self.gaze_positions) - self.gaze_target_x, self.gaze_target_y = self.gaze_positions[self.gaze_position_index] - - if self.gaze_target_x == 0 and self.gaze_target_y == 0: - self.gaze_timer = random.randint(100, 150) - else: - self.gaze_timer = random.randint(40, 80) - - self.gaze_current_x += (self.gaze_target_x - self.gaze_current_x) * 0.1 - self.gaze_current_y += (self.gaze_target_y - self.gaze_current_y) * 0.1 - - self.canvas.delete("all") - self.canvas.create_window(200, 265, window=self.loading_label) - center_x, center_y = 200, 130 - - self.canvas.create_oval(center_x - 110, center_y - 80, center_x + 110, center_y + 80, fill="#111111", outline="") - self.canvas.create_oval(center_x - 100, center_y - 70, center_x + 100, center_y + 70, fill="#EAEAEA", outline="") - - iris_x = center_x + self.gaze_current_x - iris_y = center_y + self.gaze_current_y - iris_radius = 35 - pupil_radius = 15 - self.canvas.create_oval(iris_x - iris_radius, iris_y - iris_radius, iris_x + iris_radius, iris_y + iris_radius, fill="#5DADE2", outline="") - self.canvas.create_oval(iris_x - pupil_radius, iris_y - pupil_radius, iris_x + pupil_radius, iris_y + pupil_radius, fill="black", outline="") - - highlight_x = iris_x + 10 - highlight_y = iris_y - 10 - self.canvas.create_oval(highlight_x - 5, highlight_y - 5, highlight_x + 3, highlight_y + 3, fill="white", outline="") - - self.animation_id = self.after(30, self.animate_eye) - - -class ModeSelector(tk.Tk): - """ - Startup dialog to select between Predictions, SHAP analysis, and Structure Mapping. - """ - def __init__(self): - super().__init__() - self.title("Select OPTICS Mode") - self.geometry("500x500") - self.resizable(False, False) - self.selected_mode = None - - sv_ttk.set_theme("dark") - - # Logo - self.logo_icon_display_path = "./data/logo/optics_logo_resized.png" - try: - self.logo_icon_img = tk.PhotoImage(file=self.logo_icon_display_path) - self.iconphoto(True, self.logo_icon_img) - except tk.TclError: - self.logo_icon_img = None - - main_frame = ttk.Frame(self, padding="20") - main_frame.pack(fill=tk.BOTH, expand=True) - - if self.logo_icon_img: - logo_lbl = ttk.Label(main_frame, image=self.logo_icon_img) - logo_lbl.pack(pady=(0, 10)) - - title_lbl = ttk.Label(main_frame, text="Welcome to OPTICS", font=("Century Gothic", 18, "bold")) - title_lbl.pack(pady=10) - - subtitle_lbl = ttk.Label(main_frame, text="Select your analysis pipeline:", font=("Century Gothic", 12)) - subtitle_lbl.pack(pady=(0, 20)) - - # Buttons - style = ttk.Style() - style.configure("Big.TButton", font=("Century Gothic", 12)) - - pred_btn = ttk.Button(main_frame, text="Standard Predictions\n(Spectral Tuning)", style="Big.TButton", command=self.select_predictions) - pred_btn.pack(fill=tk.X, pady=10, ipady=10) - - shap_btn = ttk.Button(main_frame, text="SHAP Interpretation\n(Feature Importance)", style="Big.TButton", command=self.select_shap) - shap_btn.pack(fill=tk.X, pady=10, ipady=10) - - struct_btn = ttk.Button(main_frame, text="Structure Mapping\n(3D Visualization)", style="Big.TButton", command=self.select_structure) - struct_btn.pack(fill=tk.X, pady=10, ipady=10) - - # Centering - self.eval('tk::PlaceWindow . center') - - def select_predictions(self): - self.selected_mode = 'predictions' - self.destroy() - - def select_shap(self): - self.selected_mode = 'shap' - self.destroy() - - def select_structure(self): - self.selected_mode = 'structure' - self.destroy() - - -class OpticsGUI(tk.Tk): - def __init__(self, mode='predictions'): - super().__init__() - self.mode = mode - - if self.mode == 'predictions': - title_suffix = "Predictions" - elif self.mode == 'shap': - title_suffix = "SHAP Analysis" - else: - title_suffix = "Structure Mapping" - - self.title(f"OPTICS: {title_suffix}") - self.geometry("1000x950") - - # --- Define a default font --- - default_font_family = "Century Gothic" - default_font_size = 10 - style = ttk.Style(self) - style.configure(".", font=(default_font_family, default_font_size)) - - # --- Logo and Window Icon --- - self.logo_icon_display_path = "./data/logo/optics_logo_resized.png" - try: - self.logo_icon_img = tk.PhotoImage(file=self.logo_icon_display_path) - self.iconphoto(True, self.logo_icon_img) - except tk.TclError: - self.logo_icon_img = None - - sv_ttk.set_theme("dark") - self.dark_mode_enabled = True - - # --- Choices --- - self.version_choices = ['vpod_1.3'] - self.model_choices = ['whole-dataset', 'wildtype', 'vertebrate', 'invertebrate', - 'wildtype-vert', 'type-one', 'whole-dataset-mnm', - 'wildtype-mnm', 'vertebrate-mnm', 'invertebrate-mnm', - 'wildtype-vert-mnm', 'wildtype-mut'] - self.encoding_choices = ['one_hot', 'aa_prop'] - self.refseq_choices = ['bovine', 'squid', 'microbe', 'custom'] - self.viz_ftyp_choices = ['svg', 'png', 'pdf'] - - # SHAP specific choices - self.shap_mode_choices = ['both', 'comparison', 'single'] - - # --- Top Frame --- - top_bar_frame = ttk.Frame(self) - top_bar_frame.pack(fill=tk.X, padx=10, pady=(10,0)) - - header_text = f"OPTICS: {title_suffix}" - if self.logo_icon_img: - gui_logo_label = ttk.Label(top_bar_frame, image=self.logo_icon_img, text=header_text, font=("Century Gothic", 16, "bold"), compound="left") - gui_logo_label.pack(side=tk.LEFT, padx=(0,10)) - gui_logo_label.image = self.logo_icon_img - else: - gui_logo_label = ttk.Label(top_bar_frame, text=header_text, font=("Century Gothic", 16, "bold")) - gui_logo_label.pack(side=tk.LEFT, padx=(0,10)) - - - self.theme_toggle_button = ttk.Button(top_bar_frame, text="Toggle Light Mode", command=self.toggle_theme) - self.theme_toggle_button.pack(side=tk.RIGHT, padx=(0,5)) - - # --- Main Frame --- - main_frame = ttk.Frame(self, padding="10") - main_frame.pack(fill=tk.BOTH, expand=True) - - canvas = tk.Canvas(main_frame) - scrollbar = ttk.Scrollbar(main_frame, orient="vertical", command=canvas.yview) - scrollable_frame = ttk.Frame(canvas) - - scrollable_frame.bind( - "", - lambda e: canvas.configure( - scrollregion=canvas.bbox("all") - ) - ) - - canvas.create_window((0, 0), window=scrollable_frame, anchor="nw") - canvas.configure(yscrollcommand=scrollbar.set) - - canvas.pack(side="left", fill="both", expand=True) - scrollbar.pack(side="right", fill="y") - - # --- INPUT WIDGETS --- - current_row = 0 - scrollable_frame.columnconfigure(1, weight=1) - - # 1. Output Directory (Common to all modes) - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Directory:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.output_dir_var = tk.StringVar() - ttk.Entry(scrollable_frame, textvariable=self.output_dir_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - ttk.Button(scrollable_frame, text="Browse...", command=self.browse_output_dir).grid(row=current_row, column=2, padx=5, pady=5) - current_row += 1 - - if self.mode in ['predictions', 'shap']: - # -- ML Workflow Inputs -- - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Input Sequence/FASTA File:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.input_file_var = tk.StringVar() - ttk.Entry(scrollable_frame, textvariable=self.input_file_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - ttk.Button(scrollable_frame, text="Browse...", command=self.browse_input_file).grid(row=current_row, column=2, padx=5, pady=5) - current_row += 1 - - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Filename Prefix:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.prediction_prefix_var = tk.StringVar() - ttk.Entry(scrollable_frame, textvariable=self.prediction_prefix_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Model Version:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.version_var = tk.StringVar(value=self.version_choices[0]) - ttk.Combobox(scrollable_frame, textvariable=self.version_var, values=self.version_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Model:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.model_var = tk.StringVar(value=self.model_choices[0]) - ttk.Combobox(scrollable_frame, textvariable=self.model_var, values=self.model_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Encoding Method:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.encoding_var = tk.StringVar(value=self.encoding_choices[1]) - ttk.Combobox(scrollable_frame, textvariable=self.encoding_var, values=self.encoding_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - elif self.mode == 'structure': - # -- Structure Mapping Inputs -- - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="SHAP Analysis CSV File:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.shap_csv_var = tk.StringVar() - ttk.Entry(scrollable_frame, textvariable=self.shap_csv_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - ttk.Button(scrollable_frame, text="Browse...", command=self.browse_shap_csv).grid(row=current_row, column=2, padx=5, pady=5) - current_row += 1 - - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="PDB File or ID (e.g. 1U19):").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.pdb_input_var = tk.StringVar() - ttk.Entry(scrollable_frame, textvariable=self.pdb_input_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - ttk.Button(scrollable_frame, text="Browse File...", command=self.browse_pdb_file).grid(row=current_row, column=2, padx=5, pady=5) - current_row += 1 - - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Alignment Offset (Integer):").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.offset_var = tk.IntVar(value=0) - ttk.Spinbox(scrollable_frame, from_=-1000, to=1000, textvariable=self.offset_var, width=58).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - ttk.Label(scrollable_frame, text="(Adjusts residue numbering to match PDB. Default 0)", font=("Century Gothic", 9)).grid(row=current_row, column=1, padx=5, pady=0, sticky=tk.W) - current_row += 1 - - - # --- MODE SPECIFIC OPTIONS --- - - if self.mode == 'predictions': - # -- Prediction specific options -- - - # Tolerances - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Tolerate Non-standard AAs:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.non_standard_aa_var = tk.BooleanVar(value=True) - self.non_standard_aa_check = ttk.Checkbutton(scrollable_frame, text="Enable to predict on sequences with non-standard amino-acids", variable=self.non_standard_aa_var) - self.non_standard_aa_check.grid(row=current_row, column=1, columnspan=2, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Tolerate Incomplete Seqs:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.incomp_seqs_var = tk.BooleanVar(value=False) - self.incomp_seqs_check = ttk.Checkbutton(scrollable_frame, text="Enable to predict on sequences outside range of 250-650 amino-acids", variable=self.incomp_seqs_var) - self.incomp_seqs_check.grid(row=current_row, column=1, columnspan=2, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - # BLASTp Frame - blastp_frame = ttk.LabelFrame(scrollable_frame, text="BLASTp Options", padding="10") - blastp_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) - current_row += 1 - - self.blastp_enabled_var = tk.BooleanVar(value=True) - self.blastp_check = ttk.Checkbutton(blastp_frame, text="Enable BLASTp Analysis", variable=self.blastp_enabled_var, command=self.toggle_blastp_options) - self.blastp_check.grid(row=0, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) - - ttk.Label(blastp_frame, font=("Century Gothic", 12), text="BLASTp Report Filename:").grid(row=1, column=0, padx=5, pady=5, sticky=tk.W) - self.blastp_report_var = tk.StringVar(value="blastp_report.txt") - self.blastp_report_entry = ttk.Entry(blastp_frame, textvariable=self.blastp_report_var, width=50) - self.blastp_report_entry.grid(row=1, column=1, padx=5, pady=5, sticky=tk.EW) - - ttk.Label(blastp_frame, font=("Century Gothic", 12), text="Reference Sequence:").grid(row=2, column=0, padx=5, pady=5, sticky=tk.W) - self.refseq_var = tk.StringVar(value=self.refseq_choices[0]) - self.refseq_combo = ttk.Combobox(blastp_frame, textvariable=self.refseq_var, values=self.refseq_choices, state="readonly", width=47) - self.refseq_combo.grid(row=2, column=1, padx=5, pady=5, sticky=tk.EW) - self.refseq_combo.bind("<>", self.toggle_custom_ref_file) - - ttk.Label(blastp_frame, font=("Century Gothic", 12), text="Custom Reference File:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) - self.custom_ref_file_var = tk.StringVar() - self.custom_ref_file_entry = ttk.Entry(blastp_frame, textvariable=self.custom_ref_file_var, width=50) - self.custom_ref_file_entry.grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) - self.custom_ref_file_button = ttk.Button(blastp_frame, text="Browse...", command=self.browse_custom_ref_file) - self.custom_ref_file_button.grid(row=3, column=2, padx=5, pady=5) - - # Bootstrap Frame - bootstrap_frame = ttk.LabelFrame(scrollable_frame, text="Bootstrap Options", padding="10") - bootstrap_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) - current_row += 1 - - self.bootstrap_enabled_var = tk.BooleanVar(value=True) - self.bootstrap_check = ttk.Checkbutton(bootstrap_frame, text="Enable Bootstrap Predictions", variable=self.bootstrap_enabled_var, command=self.toggle_bootstrap_options) - self.bootstrap_check.grid(row=0, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) - - self.visualize_bootstrap_var = tk.BooleanVar(value=True) - self.visualize_check = ttk.Checkbutton(bootstrap_frame, text="Visualize Bootstrap Predictions", variable=self.visualize_bootstrap_var, command=self.toggle_bootstrap_options) - self.visualize_check.grid(row=1, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) - - ttk.Label(bootstrap_frame, font=("Century Gothic", 12), text="Bootstrap Viz Filename:").grid(row=2, column=0, padx=5, pady=5, sticky=tk.W) - self.bootstrap_viz_file_var = tk.StringVar(value="bootstrap_viz") - self.bootstrap_viz_entry = ttk.Entry(bootstrap_frame, textvariable=self.bootstrap_viz_file_var, width=50) - self.bootstrap_viz_entry.grid(row=2, column=1, padx=5, pady=5, sticky=tk.EW) - - ttk.Label(bootstrap_frame, font=("Century Gothic", 12), text="Viz Filetype:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) - self.bootstrap_fytp_var = tk.StringVar(value=self.viz_ftyp_choices[0]) - self.fytp_combo = ttk.Combobox(bootstrap_frame, textvariable=self.bootstrap_fytp_var, values=self.viz_ftyp_choices, state="readonly", width=47) - self.fytp_combo.grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) - - self.viz_xaxis_scale = tk.BooleanVar(value=False) - self.xaxis_check = ttk.Checkbutton(bootstrap_frame, text="Enable Full-Spectrum X-axis (300-650nm)", variable=self.viz_xaxis_scale) - self.xaxis_check.grid(row=4, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) - - # Init options - self.toggle_blastp_options() - self.toggle_bootstrap_options() - self.toggle_custom_ref_file() - - elif self.mode == 'shap': - # -- SHAP specific options -- - shap_frame = ttk.LabelFrame(scrollable_frame, text="SHAP Interpretation Options", padding="10") - shap_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) - current_row += 1 - - # Analysis Mode - ttk.Label(shap_frame, font=("Century Gothic", 12), text="Analysis Mode:").grid(row=0, column=0, padx=5, pady=5, sticky=tk.W) - self.shap_mode_var = tk.StringVar(value=self.shap_mode_choices[0]) - ttk.Combobox(shap_frame, textvariable=self.shap_mode_var, values=self.shap_mode_choices, state="readonly", width=47).grid(row=0, column=1, padx=5, pady=5, sticky=tk.EW) - - # N Positions - ttk.Label(shap_frame, font=("Century Gothic", 12), text="Top N Features to Show:").grid(row=1, column=0, padx=5, pady=5, sticky=tk.W) - self.n_positions_var = tk.IntVar(value=10) - ttk.Spinbox(shap_frame, from_=1, to=100, textvariable=self.n_positions_var, width=48).grid(row=1, column=1, padx=5, pady=5, sticky=tk.EW) - - # Use Reference Sites - self.use_ref_sites_var = tk.BooleanVar(value=False) - ttk.Checkbutton(shap_frame, text="Use Reference Numbering (e.g., Bovine Rhodopsin positions)", variable=self.use_ref_sites_var).grid(row=2, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) - - # Filetype - ttk.Label(shap_frame, font=("Century Gothic", 12), text="Save Visualizations As:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) - self.shap_save_as_var = tk.StringVar(value=self.viz_ftyp_choices[0]) - ttk.Combobox(shap_frame, textvariable=self.shap_save_as_var, values=self.viz_ftyp_choices, state="readonly", width=47).grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) - - - # --- Run Button --- - if self.mode == 'predictions': - btn_text = "Run OPTICS Predictions" - elif self.mode == 'shap': - btn_text = "Run SHAP Analysis" - else: - btn_text = "Run Structure Mapping" - - self.run_button = ttk.Button(scrollable_frame, text=btn_text, command=self.start_run_thread) - self.run_button.grid(row=current_row, column=0, columnspan=3, padx=5, pady=20) - current_row += 1 - - # --- Status/Output Area --- - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Log:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - current_row += 1 - self.output_text = scrolledtext.ScrolledText(scrollable_frame, wrap=tk.WORD, height=15, width=80, font=(default_font_family, default_font_size)) - self.output_text.grid(row=current_row, column=0, columnspan=3, padx=5, pady=5, sticky=tk.NSEW) - self.output_text.configure(state='disabled') - - scrollable_frame.columnconfigure(1, weight=1) - - # Redirect stdout and stderr - sys.stdout = TextRedirector(self.output_text, "stdout") - sys.stderr = TextRedirector(self.output_text, "stderr") - - # Loading Screen placeholder - self.loading_screen = None - - def toggle_theme(self): - if self.dark_mode_enabled: - sv_ttk.set_theme("light") - self.theme_toggle_button.configure(text="Toggle Dark Mode") - self.dark_mode_enabled = False - else: - sv_ttk.set_theme("dark") - self.theme_toggle_button.configure(text="Toggle Light Mode") - self.dark_mode_enabled = True - - def browse_input_file(self): - filename = filedialog.askopenfilename(title="Select Input FASTA File", - filetypes=(("FASTA files", "*.fasta *.fa *.fna *.faa *.fas"), - ("Text files", "*.txt"), - ("All files", "*.*"))) - if filename: - self.input_file_var.set(filename) - - def browse_output_dir(self): - dirname = filedialog.askdirectory(title="Select Output Directory") - if dirname: - self.output_dir_var.set(dirname) - - def browse_custom_ref_file(self): - filename = filedialog.askopenfilename(title="Select Custom Reference File", - filetypes=(("FASTA files", "*.fasta *.fa *.fna *.faa *.fas"), - ("All files", "*.*"))) - if filename: - self.custom_ref_file_var.set(filename) - - # --- New Browsers for Structure Mode --- - def browse_shap_csv(self): - filename = filedialog.askopenfilename(title="Select SHAP Analysis CSV", - filetypes=(("CSV files", "*.csv"), - ("All files", "*.*"))) - if filename: - self.shap_csv_var.set(filename) - - def browse_pdb_file(self): - filename = filedialog.askopenfilename(title="Select PDB File", - filetypes=(("PDB files", "*.pdb"), - ("All files", "*.*"))) - if filename: - self.pdb_input_var.set(filename) - - - def toggle_blastp_options(self): - state = tk.NORMAL if self.blastp_enabled_var.get() else tk.DISABLED - self.blastp_report_entry.configure(state=state) - self.refseq_combo.configure(state="readonly" if state == tk.NORMAL else tk.DISABLED) - self.toggle_custom_ref_file() - - def toggle_custom_ref_file(self, event=None): - if not hasattr(self, 'blastp_enabled_var'): return - - blastp_on = self.blastp_enabled_var.get() - custom_ref_selected = self.refseq_var.get() == "custom" - - if blastp_on and custom_ref_selected: - self.custom_ref_file_entry.configure(state=tk.NORMAL) - self.custom_ref_file_button.configure(state=tk.NORMAL) - else: - self.custom_ref_file_entry.configure(state=tk.DISABLED) - self.custom_ref_file_button.configure(state=tk.DISABLED) - if not custom_ref_selected: - self.custom_ref_file_var.set("") - - def toggle_bootstrap_options(self): - bootstrap_state = tk.NORMAL if self.bootstrap_enabled_var.get() else tk.DISABLED - self.visualize_check.configure(state=bootstrap_state) - - visualize_state = tk.NORMAL if (self.bootstrap_enabled_var.get() and self.visualize_bootstrap_var.get()) else tk.DISABLED - self.bootstrap_viz_entry.configure(state=visualize_state) - self.xaxis_check.configure(state=visualize_state) - self.fytp_combo.configure(state="readonly" if visualize_state == tk.NORMAL else tk.DISABLED) - - - def log_message(self, message): - self.output_text.configure(state='normal') - self.output_text.insert(tk.END, message + "\n") - self.output_text.see(tk.END) - self.output_text.configure(state='disabled') - self.update_idletasks() - - def start_run_thread(self): - # Validation based on mode - if self.mode in ['predictions', 'shap']: - if not self.input_file_var.get(): - messagebox.showerror("Input Error", "Please specify an input sequence/FASTA file.") - return - elif self.mode == 'structure': - if not self.shap_csv_var.get(): - messagebox.showerror("Input Error", "Please specify the SHAP Analysis CSV file.") - return - if not self.pdb_input_var.get(): - messagebox.showerror("Input Error", "Please specify a PDB file path or ID.") - return - - # Create default output dir if not specified - if not self.output_dir_var.get(): - self.output_dir_var.set(os.path.join(os.getcwd(), 'prediction_outputs')) - - self.run_button.config(state=tk.DISABLED) - self.output_text.configure(state='normal') - self.output_text.delete(1.0, tk.END) - self.output_text.configure(state='disabled') - - if self.mode == 'predictions': - log_txt = "Starting OPTICS Predictions..." - elif self.mode == 'shap': - log_txt = "Starting SHAP Analysis..." - else: - log_txt = "Starting Structure Mapping..." - - self.log_message(log_txt) - - self.loading_screen = HumanEyeLoadingScreen(self) - self.loading_screen.start_animation() - - thread = threading.Thread(target=self.run_predictions_logic, daemon=True) - thread.start() - - def run_predictions_logic(self): - try: - # Common arguments - pred_dir_val = self.output_dir_var.get() - - if self.mode == 'predictions': - input_val = self.input_file_var.get() - output_val = self.prediction_prefix_var.get() - if not output_val: output_val = "optics_results" - version_val = self.version_var.get() - model_val = self.model_var.get() - encoding_val = self.encoding_var.get() - tol_non_stan_aa = self.non_standard_aa_var.get() - tol_incomp_seqs = self.incomp_seqs_var.get() - - blastp_val = self.blastp_enabled_var.get() - iden_report_val = self.blastp_report_var.get() if blastp_val else None - refseq_val = self.refseq_var.get() if blastp_val else "bovine" - reffile_val = self.custom_ref_file_var.get() if blastp_val and self.refseq_var.get() == "custom" else None - - bootstrap_val = self.bootstrap_enabled_var.get() - visualize_bootstrap_val = self.visualize_bootstrap_var.get() if bootstrap_val else False - bootstrap_viz_file_val = self.bootstrap_viz_file_var.get() if bootstrap_val and visualize_bootstrap_val else None - viz_ftyp_val = self.bootstrap_fytp_var.get() if bootstrap_val and visualize_bootstrap_val else None - xaxis_val = self.viz_xaxis_scale.get() if bootstrap_val and visualize_bootstrap_val else None - - pred_df, output_file_path = run_optics_predictions( - input_sequence=input_val, - pred_dir=pred_dir_val, - output=output_val, - model=model_val, - encoding_method=encoding_val, - blastp=blastp_val, - iden_report=iden_report_val, - refseq=refseq_val, - reffile=reffile_val, - bootstrap=bootstrap_val, - visualize_bootstrap=visualize_bootstrap_val, - bootstrap_viz_file=bootstrap_viz_file_val, - save_as=viz_ftyp_val, - full_spectrum_xaxis=xaxis_val, - model_version=version_val, - tolerate_non_standard_aa=tol_non_stan_aa, - tolerate_incomplete_seqs=tol_incomp_seqs - ) - - self.log_message(f"\n--- Predictions Complete ---") - if output_file_path: - messagebox.showinfo("Success", f"OPTICS predictions completed successfully!\nResults are in: {os.path.dirname(output_file_path)}") - - elif self.mode == 'shap': - input_val = self.input_file_var.get() - output_val = self.prediction_prefix_var.get() - if not output_val: output_val = "optics_results" - version_val = self.version_var.get() - model_val = self.model_var.get() - encoding_val = self.encoding_var.get() - shap_mode = self.shap_mode_var.get() - n_pos = self.n_positions_var.get() - use_ref = self.use_ref_sites_var.get() - save_as = self.shap_save_as_var.get() - - generate_shap_explanation( - input_file=input_val, - pred_dir=pred_dir_val, - output=output_val, - save_as=save_as, - model=model_val, - encoding_method=encoding_val, - model_version=version_val, - cmd_line="GUI_Execution", - mode=shap_mode, - n_positions=n_pos, - use_reference_sites=use_ref - ) - self.log_message(f"\n--- SHAP Analysis Complete ---") - messagebox.showinfo("Success", f"SHAP analysis completed successfully!\nResults are in: {pred_dir_val}") - - elif self.mode == 'structure': - csv_path = self.shap_csv_var.get() - pdb_input = self.pdb_input_var.get() - offset = self.offset_var.get() - - pdb_out = run_structural_mapping( - shap_csv=csv_path, - pdb_input=pdb_input, - output_dir=pred_dir_val, - offset=offset - ) - - self.log_message(f"\n--- Structure Mapping Complete ---") - if pdb_out: - self.log_message(f"PDB Saved to: {pdb_out}") - messagebox.showinfo("Success", f"Mapping completed successfully!\nSaved PDB to: {pdb_out}") - else: - messagebox.showerror("Error", "Structure mapping failed. Check log for details.") - - - except Exception as e: - self.log_message(f"\n--- ERROR ---") - self.log_message(f"An error occurred: {str(e)}") - import traceback - self.log_message(f"Traceback:\n{traceback.format_exc()}") - messagebox.showerror("Error", f"An error occurred: {e}") - finally: - self.run_button.config(state=tk.NORMAL) - if self.loading_screen: - self.after(0, self.loading_screen.stop_animation) - - -class TextRedirector(object): - def __init__(self, widget, tag="stdout"): - self.widget = widget - self.tag = tag - - def write(self, str_): - self.widget.configure(state='normal') - self.widget.insert(tk.END, str_, (self.tag,)) - self.widget.see(tk.END) - self.widget.configure(state='disabled') - self.widget.update_idletasks() - - def flush(self): - pass - - -def main(): - # 1. Run Selector - selector = ModeSelector() - selector.mainloop() - - # 2. Get Selection - mode = selector.selected_mode - - # 3. Launch Main App if selection was made - if mode: - app = OpticsGUI(mode=mode) - app.mainloop() - -if __name__ == "__main__": - script_dir = os.path.dirname(os.path.abspath(__file__)) - if script_dir not in sys.path: - sys.path.insert(0, script_dir) - - main() \ No newline at end of file diff --git a/run_optics_gui_v4.py b/run_optics_gui_v4.py deleted file mode 100644 index 53ef7b17..00000000 --- a/run_optics_gui_v4.py +++ /dev/null @@ -1,776 +0,0 @@ -import tkinter as tk -import tkinter.font as tkFont -import sv_ttk -from tkinter import ttk, filedialog, scrolledtext, messagebox -import threading -import sys -import os -import math -import random - -import warnings -warnings.filterwarnings("ignore") -warnings.simplefilter('ignore') - -# Attempt to import the run_optics_predictions function -try: - from optics_predictions import run_optics_predictions -except ImportError: - messagebox.showerror("Import Error", "Could not import 'run_optics_predictions' from 'optics_predictions.py'. Make sure the script is in the same directory.") - sys.exit(1) - -# Attempt to import the generate_shap_explanation function -try: - from optics_shap import generate_shap_explanation -except ImportError: - print("Warning: Could not import 'generate_shap_explanation' from 'optics_shap.py'. SHAP mode will fail if selected.") - -# Attempt to import the run_structural_mapping function -try: - from optics_structure_map import run_structural_mapping -except ImportError: - print("Warning: Could not import 'run_structural_mapping' from 'optics_structure_map.py'. Structure Mapping mode will fail if selected.") - - -# --- Eye Animation Class --- -class HumanEyeLoadingScreen(tk.Toplevel): - """ - A modal loading screen with an animated eye that looks around in multiple - directions. The loading text has an animated ellipsis. - """ - def __init__(self, parent): - super().__init__(parent) - self.parent = parent - self.withdraw() # Hide window until it's configured - - # --- Configuration --- - self.title("Processing...") - self.geometry("400x300") - self.resizable(False, False) - self.transient(parent) - self.grab_set() - - # Center the loading screen over the parent window - parent_x = parent.winfo_x() - parent_y = parent.winfo_y() - parent_width = parent.winfo_width() - parent_height = parent.winfo_height() - self.after(10, lambda: self.geometry(f"400x300+{parent_x + (parent_width // 2) - 200}+{parent_y + (parent_height // 2) - 150}")) - - # --- Widgets --- - self.canvas = tk.Canvas(self, bg="#1c1c1c", highlightthickness=0) - self.canvas.pack(fill=tk.BOTH, expand=True) - - self.loading_label = ttk.Label( - self.canvas, - text="Processing", - font=("Century Gothic", 14, "bold"), - background="#1c1c1c", - foreground="white" # Set a static white color - ) - self.canvas.create_window(200, 265, window=self.loading_label) - - # --- Animation State --- - self.animation_running = False - self.animation_id = None - self.ellipsis_count = 0 - - # --- Eye Animation Specifics --- - self.gaze_current_x = 0.0 - self.gaze_target_x = 0.0 - self.gaze_current_y = 0.0 - self.gaze_target_y = 0.0 - - self.gaze_positions = [ - (-40, -25), (45, 20), (0, 0), (30, 25), (-20, -20), (0, 0), - (-45, 0), (45, 0), (0, 30), (0, -30), (0, 0) - ] - self.gaze_position_index = 0 - self.gaze_timer = 100 - - self.lift() - self.deiconify() - - def start_animation(self): - """Starts the eye and text animations.""" - self.animation_running = True - self.animate_eye() - self.animate_text() - - def stop_animation(self): - """Stops the animations and destroys the window.""" - self.animation_running = False - if self.animation_id: - self.after_cancel(self.animation_id) - self.destroy() - - def animate_text(self): - """Animates an ellipsis on the loading text.""" - if not self.animation_running: return - self.ellipsis_count = (self.ellipsis_count + 1) % 4 - dots = "." * self.ellipsis_count - self.loading_label.config(text=f"Processing{dots}") - self.after(400, self.animate_text) - - def animate_eye(self): - """The main animation loop for the eye's movement.""" - if not self.animation_running: return - - self.gaze_timer -= 1 - if self.gaze_timer <= 0: - self.gaze_position_index = (self.gaze_position_index + 1) % len(self.gaze_positions) - self.gaze_target_x, self.gaze_target_y = self.gaze_positions[self.gaze_position_index] - - if self.gaze_target_x == 0 and self.gaze_target_y == 0: - self.gaze_timer = random.randint(100, 150) - else: - self.gaze_timer = random.randint(40, 80) - - self.gaze_current_x += (self.gaze_target_x - self.gaze_current_x) * 0.1 - self.gaze_current_y += (self.gaze_target_y - self.gaze_current_y) * 0.1 - - self.canvas.delete("all") - self.canvas.create_window(200, 265, window=self.loading_label) - center_x, center_y = 200, 130 - - self.canvas.create_oval(center_x - 110, center_y - 80, center_x + 110, center_y + 80, fill="#111111", outline="") - self.canvas.create_oval(center_x - 100, center_y - 70, center_x + 100, center_y + 70, fill="#EAEAEA", outline="") - - iris_x = center_x + self.gaze_current_x - iris_y = center_y + self.gaze_current_y - iris_radius = 35 - pupil_radius = 15 - self.canvas.create_oval(iris_x - iris_radius, iris_y - iris_radius, iris_x + iris_radius, iris_y + iris_radius, fill="#5DADE2", outline="") - self.canvas.create_oval(iris_x - pupil_radius, iris_y - pupil_radius, iris_x + pupil_radius, iris_y + pupil_radius, fill="black", outline="") - - highlight_x = iris_x + 10 - highlight_y = iris_y - 10 - self.canvas.create_oval(highlight_x - 5, highlight_y - 5, highlight_x + 3, highlight_y + 3, fill="white", outline="") - - self.animation_id = self.after(30, self.animate_eye) - - -class ModeSelector(tk.Tk): - """ - Startup dialog to select between Predictions, SHAP analysis, and Structure Mapping. - """ - def __init__(self): - super().__init__() - self.title("Select OPTICS Mode") - self.geometry("500x500") - self.resizable(False, False) - self.selected_mode = None - - sv_ttk.set_theme("dark") - - # Logo - self.logo_icon_display_path = "./data/logo/optics_logo_resized.png" - try: - self.logo_icon_img = tk.PhotoImage(file=self.logo_icon_display_path) - self.iconphoto(True, self.logo_icon_img) - except tk.TclError: - self.logo_icon_img = None - - main_frame = ttk.Frame(self, padding="20") - main_frame.pack(fill=tk.BOTH, expand=True) - - if self.logo_icon_img: - logo_lbl = ttk.Label(main_frame, image=self.logo_icon_img) - logo_lbl.pack(pady=(0, 10)) - - title_lbl = ttk.Label(main_frame, text="Welcome to OPTICS", font=("Century Gothic", 18, "bold")) - title_lbl.pack(pady=10) - - subtitle_lbl = ttk.Label(main_frame, text="Select your analysis pipeline:", font=("Century Gothic", 12)) - subtitle_lbl.pack(pady=(0, 20)) - - # Buttons - style = ttk.Style() - style.configure("Big.TButton", font=("Century Gothic", 12)) - - pred_btn = ttk.Button(main_frame, text="Standard Predictions\n(λmax & Spectral Tuning)", style="Big.TButton", command=self.select_predictions) - pred_btn.pack(fill=tk.X, pady=10, ipady=10) - - shap_btn = ttk.Button(main_frame, text="SHAP Interpretation\n(Amino-Acid Importance)", style="Big.TButton", command=self.select_shap) - shap_btn.pack(fill=tk.X, pady=10, ipady=10) - - struct_btn = ttk.Button(main_frame, text="Structure Mapping\n(3D Visualization of SHAP)", style="Big.TButton", command=self.select_structure) - struct_btn.pack(fill=tk.X, pady=10, ipady=10) - - # Centering - self.eval('tk::PlaceWindow . center') - - def select_predictions(self): - self.selected_mode = 'predictions' - self.destroy() - - def select_shap(self): - self.selected_mode = 'shap' - self.destroy() - - def select_structure(self): - self.selected_mode = 'structure' - self.destroy() - - -class OpticsGUI(tk.Tk): - def __init__(self, mode='predictions'): - super().__init__() - self.mode = mode - self.wants_to_go_back = False # Flag to track navigation - - if self.mode == 'predictions': - title_suffix = "Predictions" - elif self.mode == 'shap': - title_suffix = "SHAP Analysis" - else: - title_suffix = "Structure Mapping" - - self.title(f"OPTICS: {title_suffix}") - self.geometry("1000x950") - - # --- Define a default font --- - default_font_family = "Century Gothic" - default_font_size = 10 - style = ttk.Style(self) - style.configure(".", font=(default_font_family, default_font_size)) - - # --- Logo and Window Icon --- - self.logo_icon_display_path = "./data/logo/optics_logo_resized.png" - try: - self.logo_icon_img = tk.PhotoImage(file=self.logo_icon_display_path) - self.iconphoto(True, self.logo_icon_img) - except tk.TclError: - self.logo_icon_img = None - - sv_ttk.set_theme("dark") - self.dark_mode_enabled = True - - # --- Choices --- - self.version_choices = ['vpod_1.3'] - self.model_choices = ['whole-dataset', 'wildtype', 'vertebrate', 'invertebrate', - 'wildtype-vert', 'type-one', 'whole-dataset-mnm', - 'wildtype-mnm', 'vertebrate-mnm', 'invertebrate-mnm', - 'wildtype-vert-mnm', 'wildtype-mut'] - self.encoding_choices = ['one_hot', 'aa_prop'] - self.refseq_choices = ['bovine', 'squid', 'microbe', 'custom'] - self.viz_ftyp_choices = ['svg', 'png', 'pdf'] - - # SHAP specific choices - self.shap_mode_choices = ['both', 'comparison', 'single'] - - # --- Top Frame --- - top_bar_frame = ttk.Frame(self) - top_bar_frame.pack(fill=tk.X, padx=10, pady=(10,0)) - - header_text = f"OPTICS: {title_suffix}" - if self.logo_icon_img: - gui_logo_label = ttk.Label(top_bar_frame, image=self.logo_icon_img, text=header_text, font=("Century Gothic", 16, "bold"), compound="left") - gui_logo_label.pack(side=tk.LEFT, padx=(0,10)) - gui_logo_label.image = self.logo_icon_img - else: - gui_logo_label = ttk.Label(top_bar_frame, text=header_text, font=("Century Gothic", 16, "bold")) - gui_logo_label.pack(side=tk.LEFT, padx=(0,10)) - - - self.theme_toggle_button = ttk.Button(top_bar_frame, text="Toggle Light Mode", command=self.toggle_theme) - self.theme_toggle_button.pack(side=tk.RIGHT, padx=(0,5)) - - self.back_button = ttk.Button(top_bar_frame, text="← Back", command=self.go_back) - self.back_button.pack(side=tk.RIGHT, padx=(0,5)) - - # --- Main Frame --- - main_frame = ttk.Frame(self, padding="10") - main_frame.pack(fill=tk.BOTH, expand=True) - - canvas = tk.Canvas(main_frame) - scrollbar = ttk.Scrollbar(main_frame, orient="vertical", command=canvas.yview) - scrollable_frame = ttk.Frame(canvas) - - scrollable_frame.bind( - "", - lambda e: canvas.configure( - scrollregion=canvas.bbox("all") - ) - ) - - canvas.create_window((0, 0), window=scrollable_frame, anchor="nw") - canvas.configure(yscrollcommand=scrollbar.set) - - canvas.pack(side="left", fill="both", expand=True) - scrollbar.pack(side="right", fill="y") - - # --- INPUT WIDGETS --- - current_row = 0 - scrollable_frame.columnconfigure(1, weight=1) - - # 1. Output Directory (Common to all modes) - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Directory:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.output_dir_var = tk.StringVar() - ttk.Entry(scrollable_frame, textvariable=self.output_dir_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - ttk.Button(scrollable_frame, text="Browse...", command=self.browse_output_dir).grid(row=current_row, column=2, padx=5, pady=5) - current_row += 1 - - if self.mode in ['predictions', 'shap']: - # -- ML Workflow Inputs -- - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Input Sequence/FASTA File:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.input_file_var = tk.StringVar() - ttk.Entry(scrollable_frame, textvariable=self.input_file_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - ttk.Button(scrollable_frame, text="Browse...", command=self.browse_input_file).grid(row=current_row, column=2, padx=5, pady=5) - current_row += 1 - - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Filename Prefix:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.prediction_prefix_var = tk.StringVar() - ttk.Entry(scrollable_frame, textvariable=self.prediction_prefix_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Model Version:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.version_var = tk.StringVar(value=self.version_choices[0]) - ttk.Combobox(scrollable_frame, textvariable=self.version_var, values=self.version_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Model:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.model_var = tk.StringVar(value=self.model_choices[0]) - ttk.Combobox(scrollable_frame, textvariable=self.model_var, values=self.model_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Encoding Method:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.encoding_var = tk.StringVar(value=self.encoding_choices[1]) - ttk.Combobox(scrollable_frame, textvariable=self.encoding_var, values=self.encoding_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - elif self.mode == 'structure': - # -- Structure Mapping Inputs -- - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="SHAP Analysis CSV File:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.shap_csv_var = tk.StringVar() - ttk.Entry(scrollable_frame, textvariable=self.shap_csv_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - ttk.Button(scrollable_frame, text="Browse...", command=self.browse_shap_csv).grid(row=current_row, column=2, padx=5, pady=5) - current_row += 1 - - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="PDB File or ID (e.g. 1U19):").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.pdb_input_var = tk.StringVar() - ttk.Entry(scrollable_frame, textvariable=self.pdb_input_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - ttk.Button(scrollable_frame, text="Browse File...", command=self.browse_pdb_file).grid(row=current_row, column=2, padx=5, pady=5) - current_row += 1 - - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Alignment Offset (Integer):").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.offset_var = tk.IntVar(value=0) - ttk.Spinbox(scrollable_frame, from_=-1000, to=1000, textvariable=self.offset_var, width=58).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - ttk.Label(scrollable_frame, text="(Adjusts residue numbering to match PDB. Default 0)", font=("Century Gothic", 9)).grid(row=current_row, column=1, padx=5, pady=0, sticky=tk.W) - current_row += 1 - - - # --- MODE SPECIFIC OPTIONS --- - - if self.mode == 'predictions': - # -- Prediction specific options -- - - # Tolerances - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Tolerate Non-standard AAs:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.non_standard_aa_var = tk.BooleanVar(value=True) - self.non_standard_aa_check = ttk.Checkbutton(scrollable_frame, text="Enable to predict on sequences with non-standard amino-acids", variable=self.non_standard_aa_var) - self.non_standard_aa_check.grid(row=current_row, column=1, columnspan=2, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Tolerate Incomplete Seqs:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - self.incomp_seqs_var = tk.BooleanVar(value=False) - self.incomp_seqs_check = ttk.Checkbutton(scrollable_frame, text="Enable to predict on sequences outside range of 250-650 amino-acids", variable=self.incomp_seqs_var) - self.incomp_seqs_check.grid(row=current_row, column=1, columnspan=2, padx=5, pady=5, sticky=tk.EW) - current_row += 1 - - # BLASTp Frame - blastp_frame = ttk.LabelFrame(scrollable_frame, text="BLASTp Options", padding="10") - blastp_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) - current_row += 1 - - self.blastp_enabled_var = tk.BooleanVar(value=True) - self.blastp_check = ttk.Checkbutton(blastp_frame, text="Enable BLASTp Analysis", variable=self.blastp_enabled_var, command=self.toggle_blastp_options) - self.blastp_check.grid(row=0, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) - - ttk.Label(blastp_frame, font=("Century Gothic", 12), text="BLASTp Report Filename:").grid(row=1, column=0, padx=5, pady=5, sticky=tk.W) - self.blastp_report_var = tk.StringVar(value="blastp_report.txt") - self.blastp_report_entry = ttk.Entry(blastp_frame, textvariable=self.blastp_report_var, width=50) - self.blastp_report_entry.grid(row=1, column=1, padx=5, pady=5, sticky=tk.EW) - - ttk.Label(blastp_frame, font=("Century Gothic", 12), text="Reference Sequence:").grid(row=2, column=0, padx=5, pady=5, sticky=tk.W) - self.refseq_var = tk.StringVar(value=self.refseq_choices[0]) - self.refseq_combo = ttk.Combobox(blastp_frame, textvariable=self.refseq_var, values=self.refseq_choices, state="readonly", width=47) - self.refseq_combo.grid(row=2, column=1, padx=5, pady=5, sticky=tk.EW) - self.refseq_combo.bind("<>", self.toggle_custom_ref_file) - - ttk.Label(blastp_frame, font=("Century Gothic", 12), text="Custom Reference File:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) - self.custom_ref_file_var = tk.StringVar() - self.custom_ref_file_entry = ttk.Entry(blastp_frame, textvariable=self.custom_ref_file_var, width=50) - self.custom_ref_file_entry.grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) - self.custom_ref_file_button = ttk.Button(blastp_frame, text="Browse...", command=self.browse_custom_ref_file) - self.custom_ref_file_button.grid(row=3, column=2, padx=5, pady=5) - - # Bootstrap Frame - bootstrap_frame = ttk.LabelFrame(scrollable_frame, text="Bootstrap Options", padding="10") - bootstrap_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) - current_row += 1 - - self.bootstrap_enabled_var = tk.BooleanVar(value=True) - self.bootstrap_check = ttk.Checkbutton(bootstrap_frame, text="Enable Bootstrap Predictions", variable=self.bootstrap_enabled_var, command=self.toggle_bootstrap_options) - self.bootstrap_check.grid(row=0, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) - - self.visualize_bootstrap_var = tk.BooleanVar(value=True) - self.visualize_check = ttk.Checkbutton(bootstrap_frame, text="Visualize Bootstrap Predictions", variable=self.visualize_bootstrap_var, command=self.toggle_bootstrap_options) - self.visualize_check.grid(row=1, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) - - ttk.Label(bootstrap_frame, font=("Century Gothic", 12), text="Bootstrap Viz Filename:").grid(row=2, column=0, padx=5, pady=5, sticky=tk.W) - self.bootstrap_viz_file_var = tk.StringVar(value="bootstrap_viz") - self.bootstrap_viz_entry = ttk.Entry(bootstrap_frame, textvariable=self.bootstrap_viz_file_var, width=50) - self.bootstrap_viz_entry.grid(row=2, column=1, padx=5, pady=5, sticky=tk.EW) - - ttk.Label(bootstrap_frame, font=("Century Gothic", 12), text="Viz Filetype:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) - self.bootstrap_fytp_var = tk.StringVar(value=self.viz_ftyp_choices[0]) - self.fytp_combo = ttk.Combobox(bootstrap_frame, textvariable=self.bootstrap_fytp_var, values=self.viz_ftyp_choices, state="readonly", width=47) - self.fytp_combo.grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) - - self.viz_xaxis_scale = tk.BooleanVar(value=False) - self.xaxis_check = ttk.Checkbutton(bootstrap_frame, text="Enable Full-Spectrum X-axis (300-650nm)", variable=self.viz_xaxis_scale) - self.xaxis_check.grid(row=4, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) - - # Init options - self.toggle_blastp_options() - self.toggle_bootstrap_options() - self.toggle_custom_ref_file() - - elif self.mode == 'shap': - # -- SHAP specific options -- - shap_frame = ttk.LabelFrame(scrollable_frame, text="SHAP Interpretation Options", padding="10") - shap_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) - current_row += 1 - - # Analysis Mode - ttk.Label(shap_frame, font=("Century Gothic", 12), text="Analysis Mode:").grid(row=0, column=0, padx=5, pady=5, sticky=tk.W) - self.shap_mode_var = tk.StringVar(value=self.shap_mode_choices[0]) - ttk.Combobox(shap_frame, textvariable=self.shap_mode_var, values=self.shap_mode_choices, state="readonly", width=47).grid(row=0, column=1, padx=5, pady=5, sticky=tk.EW) - - # N Positions - ttk.Label(shap_frame, font=("Century Gothic", 12), text="Top N Features to Show:").grid(row=1, column=0, padx=5, pady=5, sticky=tk.W) - self.n_positions_var = tk.IntVar(value=10) - ttk.Spinbox(shap_frame, from_=1, to=100, textvariable=self.n_positions_var, width=48).grid(row=1, column=1, padx=5, pady=5, sticky=tk.EW) - - # Use Reference Sites - self.use_ref_sites_var = tk.BooleanVar(value=False) - ttk.Checkbutton(shap_frame, text="Use Reference Numbering (e.g., Bovine Rhodopsin positions)", variable=self.use_ref_sites_var).grid(row=2, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) - - # Filetype - ttk.Label(shap_frame, font=("Century Gothic", 12), text="Save Visualizations As:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) - self.shap_save_as_var = tk.StringVar(value=self.viz_ftyp_choices[0]) - ttk.Combobox(shap_frame, textvariable=self.shap_save_as_var, values=self.viz_ftyp_choices, state="readonly", width=47).grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) - - - # --- Run Button --- - if self.mode == 'predictions': - btn_text = "Run OPTICS Predictions" - elif self.mode == 'shap': - btn_text = "Run SHAP Analysis" - else: - btn_text = "Run Structure Mapping" - - self.run_button = ttk.Button(scrollable_frame, text=btn_text, command=self.start_run_thread) - self.run_button.grid(row=current_row, column=0, columnspan=3, padx=5, pady=20) - current_row += 1 - - # --- Status/Output Area --- - ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Log:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) - current_row += 1 - self.output_text = scrolledtext.ScrolledText(scrollable_frame, wrap=tk.WORD, height=15, width=80, font=(default_font_family, default_font_size)) - self.output_text.grid(row=current_row, column=0, columnspan=3, padx=5, pady=5, sticky=tk.NSEW) - self.output_text.configure(state='disabled') - - scrollable_frame.columnconfigure(1, weight=1) - - # Redirect stdout and stderr - sys.stdout = TextRedirector(self.output_text, "stdout") - sys.stderr = TextRedirector(self.output_text, "stderr") - - # Loading Screen placeholder - self.loading_screen = None - - def go_back(self): - """Signals that the user wants to return to the mode selector.""" - self.wants_to_go_back = True - self.destroy() - - def toggle_theme(self): - if self.dark_mode_enabled: - sv_ttk.set_theme("light") - self.theme_toggle_button.configure(text="Toggle Dark Mode") - self.dark_mode_enabled = False - else: - sv_ttk.set_theme("dark") - self.theme_toggle_button.configure(text="Toggle Light Mode") - self.dark_mode_enabled = True - - def browse_input_file(self): - filename = filedialog.askopenfilename(title="Select Input FASTA File", - filetypes=(("FASTA files", "*.fasta *.fa *.fna *.faa *.fas"), - ("Text files", "*.txt"), - ("All files", "*.*"))) - if filename: - self.input_file_var.set(filename) - - def browse_output_dir(self): - dirname = filedialog.askdirectory(title="Select Output Directory") - if dirname: - self.output_dir_var.set(dirname) - - def browse_custom_ref_file(self): - filename = filedialog.askopenfilename(title="Select Custom Reference File", - filetypes=(("FASTA files", "*.fasta *.fa *.fna *.faa *.fas"), - ("All files", "*.*"))) - if filename: - self.custom_ref_file_var.set(filename) - - # --- New Browsers for Structure Mode --- - def browse_shap_csv(self): - filename = filedialog.askopenfilename(title="Select SHAP Analysis CSV", - filetypes=(("CSV files", "*.csv"), - ("All files", "*.*"))) - if filename: - self.shap_csv_var.set(filename) - - def browse_pdb_file(self): - filename = filedialog.askopenfilename(title="Select PDB File", - filetypes=(("PDB files", "*.pdb"), - ("All files", "*.*"))) - if filename: - self.pdb_input_var.set(filename) - - - def toggle_blastp_options(self): - state = tk.NORMAL if self.blastp_enabled_var.get() else tk.DISABLED - self.blastp_report_entry.configure(state=state) - self.refseq_combo.configure(state="readonly" if state == tk.NORMAL else tk.DISABLED) - self.toggle_custom_ref_file() - - def toggle_custom_ref_file(self, event=None): - if not hasattr(self, 'blastp_enabled_var'): return - - blastp_on = self.blastp_enabled_var.get() - custom_ref_selected = self.refseq_var.get() == "custom" - - if blastp_on and custom_ref_selected: - self.custom_ref_file_entry.configure(state=tk.NORMAL) - self.custom_ref_file_button.configure(state=tk.NORMAL) - else: - self.custom_ref_file_entry.configure(state=tk.DISABLED) - self.custom_ref_file_button.configure(state=tk.DISABLED) - if not custom_ref_selected: - self.custom_ref_file_var.set("") - - def toggle_bootstrap_options(self): - bootstrap_state = tk.NORMAL if self.bootstrap_enabled_var.get() else tk.DISABLED - self.visualize_check.configure(state=bootstrap_state) - - visualize_state = tk.NORMAL if (self.bootstrap_enabled_var.get() and self.visualize_bootstrap_var.get()) else tk.DISABLED - self.bootstrap_viz_entry.configure(state=visualize_state) - self.xaxis_check.configure(state=visualize_state) - self.fytp_combo.configure(state="readonly" if visualize_state == tk.NORMAL else tk.DISABLED) - - - def log_message(self, message): - self.output_text.configure(state='normal') - self.output_text.insert(tk.END, message + "\n") - self.output_text.see(tk.END) - self.output_text.configure(state='disabled') - self.update_idletasks() - - def start_run_thread(self): - # Validation based on mode - if self.mode in ['predictions', 'shap']: - if not self.input_file_var.get(): - messagebox.showerror("Input Error", "Please specify an input sequence/FASTA file.") - return - elif self.mode == 'structure': - if not self.shap_csv_var.get(): - messagebox.showerror("Input Error", "Please specify the SHAP Analysis CSV file.") - return - if not self.pdb_input_var.get(): - messagebox.showerror("Input Error", "Please specify a PDB file path or ID.") - return - - # Create default output dir if not specified - if not self.output_dir_var.get(): - self.output_dir_var.set(os.path.join(os.getcwd(), 'prediction_outputs')) - - self.run_button.config(state=tk.DISABLED) - self.output_text.configure(state='normal') - self.output_text.delete(1.0, tk.END) - self.output_text.configure(state='disabled') - - if self.mode == 'predictions': - log_txt = "Starting OPTICS Predictions..." - elif self.mode == 'shap': - log_txt = "Starting SHAP Analysis..." - else: - log_txt = "Starting Structure Mapping..." - - self.log_message(log_txt) - - self.loading_screen = HumanEyeLoadingScreen(self) - self.loading_screen.start_animation() - - thread = threading.Thread(target=self.run_predictions_logic, daemon=True) - thread.start() - - def run_predictions_logic(self): - try: - # Common arguments - pred_dir_val = self.output_dir_var.get() - - if self.mode == 'predictions': - input_val = self.input_file_var.get() - output_val = self.prediction_prefix_var.get() - if not output_val: output_val = "optics_results" - version_val = self.version_var.get() - model_val = self.model_var.get() - encoding_val = self.encoding_var.get() - tol_non_stan_aa = self.non_standard_aa_var.get() - tol_incomp_seqs = self.incomp_seqs_var.get() - - blastp_val = self.blastp_enabled_var.get() - iden_report_val = self.blastp_report_var.get() if blastp_val else None - refseq_val = self.refseq_var.get() if blastp_val else "bovine" - reffile_val = self.custom_ref_file_var.get() if blastp_val and self.refseq_var.get() == "custom" else None - - bootstrap_val = self.bootstrap_enabled_var.get() - visualize_bootstrap_val = self.visualize_bootstrap_var.get() if bootstrap_val else False - bootstrap_viz_file_val = self.bootstrap_viz_file_var.get() if bootstrap_val and visualize_bootstrap_val else None - viz_ftyp_val = self.bootstrap_fytp_var.get() if bootstrap_val and visualize_bootstrap_val else None - xaxis_val = self.viz_xaxis_scale.get() if bootstrap_val and visualize_bootstrap_val else None - - pred_df, output_file_path = run_optics_predictions( - input_sequence=input_val, - pred_dir=pred_dir_val, - output=output_val, - model=model_val, - encoding_method=encoding_val, - blastp=blastp_val, - iden_report=iden_report_val, - refseq=refseq_val, - reffile=reffile_val, - bootstrap=bootstrap_val, - visualize_bootstrap=visualize_bootstrap_val, - bootstrap_viz_file=bootstrap_viz_file_val, - save_as=viz_ftyp_val, - full_spectrum_xaxis=xaxis_val, - model_version=version_val, - tolerate_non_standard_aa=tol_non_stan_aa, - tolerate_incomplete_seqs=tol_incomp_seqs - ) - - self.log_message(f"\n--- Predictions Complete ---") - if output_file_path: - messagebox.showinfo("Success", f"OPTICS predictions completed successfully!\nResults are in: {os.path.dirname(output_file_path)}") - - elif self.mode == 'shap': - input_val = self.input_file_var.get() - output_val = self.prediction_prefix_var.get() - if not output_val: output_val = "optics_results" - version_val = self.version_var.get() - model_val = self.model_var.get() - encoding_val = self.encoding_var.get() - shap_mode = self.shap_mode_var.get() - n_pos = self.n_positions_var.get() - use_ref = self.use_ref_sites_var.get() - save_as = self.shap_save_as_var.get() - - generate_shap_explanation( - input_file=input_val, - pred_dir=pred_dir_val, - output=output_val, - save_as=save_as, - model=model_val, - encoding_method=encoding_val, - model_version=version_val, - cmd_line="GUI_Execution", - mode=shap_mode, - n_positions=n_pos, - use_reference_sites=use_ref - ) - self.log_message(f"\n--- SHAP Analysis Complete ---") - messagebox.showinfo("Success", f"SHAP analysis completed successfully!\nResults are in: {pred_dir_val}") - - elif self.mode == 'structure': - csv_path = self.shap_csv_var.get() - pdb_input = self.pdb_input_var.get() - offset = self.offset_var.get() - - pdb_out = run_structural_mapping( - shap_csv=csv_path, - pdb_input=pdb_input, - output_dir=pred_dir_val, - offset=offset - ) - - self.log_message(f"\n--- Structure Mapping Complete ---") - if pdb_out: - self.log_message(f"PDB Saved to: {pdb_out}") - messagebox.showinfo("Success", f"Mapping completed successfully!\nSaved PDB to: {pdb_out}") - else: - messagebox.showerror("Error", "Structure mapping failed. Check log for details.") - - - except Exception as e: - self.log_message(f"\n--- ERROR ---") - self.log_message(f"An error occurred: {str(e)}") - import traceback - self.log_message(f"Traceback:\n{traceback.format_exc()}") - messagebox.showerror("Error", f"An error occurred: {e}") - finally: - self.run_button.config(state=tk.NORMAL) - if self.loading_screen: - self.after(0, self.loading_screen.stop_animation) - - -class TextRedirector(object): - def __init__(self, widget, tag="stdout"): - self.widget = widget - self.tag = tag - - def write(self, str_): - self.widget.configure(state='normal') - self.widget.insert(tk.END, str_, (self.tag,)) - self.widget.see(tk.END) - self.widget.configure(state='disabled') - self.widget.update_idletasks() - - def flush(self): - pass - - -def main(): - while True: - # 1. Run Selector - selector = ModeSelector() - selector.mainloop() - - # 2. Get Selection - mode = selector.selected_mode - - # If the selector was closed without a choice (e.g. X button), break the loop - if not mode: - break - - # 3. Launch Main App if selection was made - app = OpticsGUI(mode=mode) - app.mainloop() - - # 4. Check navigation flag - # If the user didn't click "Back" (e.g. they clicked X), break the loop - if not getattr(app, 'wants_to_go_back', False): - break - -if __name__ == "__main__": - script_dir = os.path.dirname(os.path.abspath(__file__)) - if script_dir not in sys.path: - sys.path.insert(0, script_dir) - - main() \ No newline at end of file From bf4bf9808cdf20dd1e26a90fe9f948d2b486c48d Mon Sep 17 00:00:00 2001 From: k-wavy <105947657+k-wavy@users.noreply.github.com> Date: Wed, 18 Feb 2026 14:21:16 +0100 Subject: [PATCH 03/16] adding custom annotations scrips, updating gui and README --- README - Copy.md | 292 + README.md | 458 +- examples/1U19.pdb | 7062 +++++++++++++++++ examples/optics_custom_annotations_ex.csv | 6 + .../U57536_structure_heatmap_1U19_ref.pdb | 7062 +++++++++++++++++ .../visualize_U57536_1U19_ref.pml | 7 + ...visualize_optics_custom_annotations_ex.pml | 33 + ..._optics_custom_annotations_ex_chimerax.cxc | 27 + optics_structure_annotations.py | 175 + optics_structure_map.py | 124 +- run_optics_gui.py | 172 +- run_optics_gui_old_v9.py | 808 ++ 12 files changed, 15962 insertions(+), 264 deletions(-) create mode 100644 README - Copy.md create mode 100644 examples/1U19.pdb create mode 100644 examples/optics_custom_annotations_ex.csv create mode 100644 examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/U57536_structure_heatmap_1U19_ref.pdb create mode 100644 examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/visualize_U57536_1U19_ref.pml create mode 100644 examples/visualize_optics_custom_annotations_ex.pml create mode 100644 examples/visualize_optics_custom_annotations_ex_chimerax.cxc create mode 100644 optics_structure_annotations.py create mode 100644 run_optics_gui_old_v9.py diff --git a/README - Copy.md b/README - Copy.md new file mode 100644 index 00000000..caaecbd2 --- /dev/null +++ b/README - Copy.md @@ -0,0 +1,292 @@ +**Code**: [![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0) **Data**: [![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0) **VPOD_v1.2 DOI**: [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.12213246.svg)](https://doi.org/10.5281/zenodo.12213246) + + +# Opsin Phenotype Tool for Inference of Color Sensitivity (OPTICS) [v1.3] + +![](https://github.com/VisualPhysiologyDB/optics/blob/main/data/logo/optics_bs_fig_ex.svg?raw=true) + + _Example Box Plot Output for Bootstrap Predictions of Opsin λmax by OPTICS_ + +--- +## Description +- **OPTICS** is an open-source tool that predicts the Opsin Phenotype (λmax) from unaligned opsin amino-acid sequences. +- **OPTICS** leverages machine learning models trained on the Visual Physiology Opsin Database (VPOD). +- **OPTICS** can be downloaded and used as a command-line or GUI tool. +- **OPTICS** is also avaliable as an online tool [**here**](http://galaxy-dev.cnsi.ucsb.edu:8080/?tool_id=optics_1&version=latest), hosted on our [**Galaxy Project**](https://usegalaxy.org/) server. +- **Check out our pre-print [Accessible and Robust Machine Learning Approaches to Improve the Opsin Genotype-Phenotype Map](https://doi.org/10.1101/2025.08.22.671864) to read more about it!** + +## Key Features + +- **λmax Prediction**: Predicts the peak light absorption wavelength (λmax) for opsin proteins. +- **Model Selection**: Choose from different pre-trained models for prediction. +- **Encoding Methods**: Select between one-hot encoding or amino-acid property encoding for model training and prediction. +- **BLAST Analysis**: Optionally perform BLASTp analysis to compare query sequences against reference datasets. +- **Bootstrap Predictions**: Optionally enable bootstrap predictions for enhanced accuracy assessment. +- **Prediction Explanation**: Utilizes SHAP to explain the key features driving the λmax difference between any two sequences. + +## Table of Contents + +1. [Installation](#installation) +2. [Usage](#usage) + * [```optics_predictions.py```](#main-prediction-script-optics_predictionspy) + * [Using the OPTICS GUI](#using-the-optics-gui-run_optics_guipy---an-more-user-friendly-alternative-to-command-line) + * [Understanding Model Choice](#understanding-the-λmax-prediction-models) + * [```optics_shap.py```](#explaining-prediction-differences-with-shap-optics_shappy) +3. [License](#license) +4. [Citation](#citation) +5. [Contact](#contact) +6. [Additional Resources](#additional-notesresources) + +## Installation + +1. **Clone the repository:** + ```bash + git clone https://github.com/VisualPhysiologyDB/optics.git + +2. **Install dependencies:** [Make sure you are working in the repository directory from here-after] + + A. Create a Conda environment for OPTICS (make sure you have [Conda](https://www.anaconda.com/) installed) + ```bash + conda create --name optics_env python=3.11 + ``` + ### THEN + ```bash + conda activate optics_env + ``` + B. Use the 'requirements.txt' file to download base package dependencies for OPTICS + ```bash + pip install -r requirements.txt + ``` + + + C. **Download MAFFT and BLAST** + + IF working on MAC or LINUX device: + + - Install _BLAST_ and _MAFFT_ directly from the _bioconda_ channel + ```bash + conda install bioconda::blast bioconda::mafft + ``` + + IF working on WINDOWS device: + - Manaully install the Windows compatable [BLAST](https://blast.ncbi.nlm.nih.gov/doc/blast-help/downloadblastdata.html#downloadblastdata) executable on your system PATH; [the download list is here](https://ftp.ncbi.nlm.nih.gov/blast/executables/blast+/LATEST/) + - We suggest downloading '[ncbi-blast-2.16.0+-win64.exe](https://ftp.ncbi.nlm.nih.gov/blast/executables/blast+/LATEST/ncbi-blast-2.16.0+-win64.exe)' + - You DO NOT need to download MAFFT, OPTICS should be able to run MAFFT from the files we provide when downloading this GitHub. + + +## Usage + + **MAKE SURE YOU HAVE ALL DEPENDENCIES DOWNLOADED AND THAT YOU ARE IN THE FOLDER DIRECTORY FOR OPTICS (or have loaded it as a module) BEFORE RUNNING ANY SCRIPTS!** + + ### Main prediction script (```optics_predictions.py```) + + ``` +Required Args: + + -i, --input: Either a single sequence or a path to a FASTA file. + +General Optional Args: + + -o, --output_dir: Desired directory to save output folder/files (optional). Default: './prediction_outputs' + + -p, --prediction_prefix: Base filename for prediction outputs. Default: 'unnamed' + + -v, --model_version: Version of models to use (optional). Based on the version of VPOD used to train models. Options/Default: vpod_1.3 (More version coming later) + + -m, --model: Prediction model to use. Options: whole-dataset, wildtype, vertebrate, invertebrate, wildtype-vert, type-one, whole-dataset-mnm, wildtype-mnm, vertebrate-mnm, invertebrate-mnm, wildtype-vert-mnm. **Default: whole-dataset** + + -e, --encoding: Encoding method to use (optional). Options: one_hot, aa_prop. Default: aa_prop + + --tolerate_non_standard_aa: Allows OPTICS to run predictions on sequences with 'non-standard' amino-acids (e.g. - 'X','O','B', etc...)(optional). Default: True + + --tolerate_incomplete_seqs: Allows OPTICS to run predictions on sequences outside the predefined limits of 250-650 amino-acids. (optional) Default: False + NOTE - if you enable this option, then you may have predictions on incomplete sequences, which should be treated as less accurate. + + --n_jobs: Number of parallel processes to run (optional). -1 is the default, utilizing all avaiable processors., + + +BLASTp Analysis Args (optional): + + --blastp: Enable BLASTp analysis. + + --blastp_report: Filename for BLASTp report. Default: blastp_report.txt + + --refseq: Reference sequence used for blastp analysis. Options: bovine, squid, microbe, custom. Default: bovine + + --custom_ref_file: Path to a custom reference sequence file for BLASTp. Required if --refseq custom is selected. + +Bootstrap Analysis Args (optional): + + --bootstrap: Enable bootstrap predictions. + + --visualize_bootstrap: Enable visualization of bootstrap predictions. + + --bootstrap_num: Number of bootstrap models to load for prediction replicates. Default // Maximum: 100 + + --bootstrap_viz_file: Filename prefix for bootstrap visualization. Default: bootstrap_viz + + --save_viz_as: File type for bootstrap visualizations. Options: SVG, PNG, or PDF Default: SVG + + --full_spectrum_xaxis: Enables visualization of predictions on a full spectrum x-axis (300-650nm). Otherwise, x-axis is scaled with predictions. + + ``` + ### Example Command Line Usage vvv + + ```bash + python optics_predictions.py -i ./examples/optics_ex_short.txt -o ./examples -p ex_predictions -m wildtype -e aa_prop --blastp --blastp_report blastp_report_ex --refseq squid --bootstrap --visualize_bootstrap --bootstrap_viz_file bootstrap_viz --save_viz_as svg + ``` + +### Input + +- **Unaligned** FASTA file containing opsin amino-acid sequences. +- Example FASTA Entry: + ``` + >NP_001014890.1_rhodopsin_Bos_taurus + MNGTEGPNFYVPFSNKTGVVRSPFEAPQYYLAEPWQFSMLAAYMFLLIMLGFPINFLTLYVTVQHKKLRT + PLNYILLNLAVADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVC + KPMSNFRFGENHAIMGVAFTWVMALACAAPPLVGWSRYIPEGMQCSCGIDYYTPHEETNNESFVIYMFVV + HFIIPLIVIFFCYGQLVFTVKEAAAQQQESATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQG + SDFGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTTLCCGKNPLGDDEASTTVSKTETSQVAPA   + ``` +### Output + +- Predictions (TSV): λmax values, model used, and encoding method. +- BLAST Results (TXT, optional): Comparison of query sequences to reference datasets. +- Bootstrap Graphs (PDF, optional): Visualization of bootstrap prediction results. +- Job Log (TXT): Log file containing input command to OPTICS, including encoding method and model used. + + **Note** - All outputs are written into subfolders generated based on your 'prediction-prefix' under your specified output directory, and are marked by time and date. + +## **Using the OPTICS GUI (```run_optics_gui.py```)** - An more user-friendly alternative to command-line + +That's right! No-need for command line, OPTICS can also be used as a GUI! +The usage is quite simple, just use the command below (with your OPTICS conda enviornment activated) and get to predicting. ;) + + ### Example GUI Usage vvv + + ```bash + python run_optics_gui.py + ``` + +ex optics gui + +_Example of the OPTICS GUI interface_ + +## **Understanding the λmax Prediction Models** + +The ```--model``` flag allows you to select a specific pre-trained model for wavelength prediction. Each available model is named after the data-subset it was trained on, allowing you to choose the one best suited for your research question. This was originally done to test how factors like taxonomic group or gene family inclusivity impact prediction performance. + +### **Base Model Datasets** + +The primary models include: + +* **whole-dataset**: Trained on the entire VPOD dataset, including all taxonomic groups and both wild-type and mutant sequences. In most cases, **this is the recommended model** as it leverages the most data. + * Generally, more data = better models (assuming that data is good data) +* **wildtype**: Trained exclusively on wild-type opsin sequences, with all mutant sequences removed. +* **vertebrate**: Trained only on sequences from the phylum Chordata. +* **invertebrate**: Trained only on sequences from species not in the phylum Chordata. +* **wildtype-vert**: A more specific subset containing only wild-type sequences from vertebrates. + +### **The ```-mnm``` Suffix: Dataset Augmentation with Mine-n-Match (MNM)** + +The key difference between models with and without the ```-mnm``` suffix lies in the source of the phenotype data (the λmax values). + +* **Standard models** (e.g., wildtype): These are trained *exclusively* on data where the sequence-to-relationship was validated experimentally through **heterologous expression**. This represents a controlled, in-vitro dataset. +* **```-mnm``` models** (e.g., wildtype-mnm): These are trained on an augmented dataset. It includes the standard heterologous expression data *plus* additional data from our **"Mine-n-Match" (mnm)** procedure. This process systematically infers connections between sequences and **in-vivo** measurements, providing a broader and more biologically contextualized training set. + * Note, the methodology behind MNM and the implimentation of that data into VPOD/OPTICS is elaborated upon in our publication introducing OPTICS ([Frazer et al. 2025](https://doi.org/10.1101/2025.08.22.671864) ) +--- + +### Explaining Prediction Differences with SHAP (```optics_shap.py```) +For users interested in the "nitty-gritty" of _why_ sequences have different predicted λmax values, we provide a specialized script that uses *SHAP* (SHapley Additive exPlanations). This tool generates a plot and detailed data files that attribute the difference in prediction to specific features (i.e., amino acid sites and their properties). + +![](https://github.com/VisualPhysiologyDB/optics/blob/main/examples/optics_shap_on_short_ex_test_aa_prop_2026-01-09_02-28-40/Bombus_impatiens_424_individual_shap.svg?raw=true) + +_Example SHAP plot for explaining individual predictions of opsin λmax by OPTICS_ + +![](https://github.com/VisualPhysiologyDB/optics/blob/main/examples/optics_shap_on_short_ex_test_aa_prop_2026-01-09_02-28-40/Bombus_impatiens_424_vs_Bombus_impatiens_347_viz.svg?raw=true) + +_Example SHAP comparison plot for explaining pair-wise differences in predictions of opsin λmax by OPTICS_ + +This script requires a **FASTA file** +- File must contain at least **two or more sequences** if you are running a SHAP comparison. +- Only a single sequence is needed for an individual SHAP explination + +### SHAP Script Parameters +Most parameters are identical to the main prediction script. Below are the key arguments: + +``` +Required Args: + -i, --input: Path to a FASTA file containing two sequences to compare. + +Optional Args: + -o, --output_dir: Directory to save the SHAP analysis output folder. + -p, --prediction_prefix: Base filename for the SHAP plot and data files. + --mode: Analysis mode: select 'comparison' for pairwise SHAP comparison of all sequence predictions, 'single' for individual SHAP explinations of all sequences, or 'both' for both outputs. + -m, --model: Prediction model to use for the comparison. + -e, --encoding: Encoding method to use. + --n_positions: Number of positions to show on SHAP explanation graphs. Default=10 to limit noisiness. + --save_viz_as: File type for the SHAP visualization (svg, png, or pdf). + --use_reference_sites : Enable to use reference site numbering (i.e. - Bovine or Squid Rhodopsin), instead of feature names. +``` + +### Example Command Line Usage vvv + +```bash +python optics_shap.py -i ./examples/optics_ex_short.fasta -o ./examples -p short_ex_test_aa_prop --mode both --use_reference_sites +``` + +### Input +- **Unaligned** FASTA file containing any number of opsin amino-acid sequences for shap comparison. +- Please note - if you are doing comparison mode (or both) this is combinatorial (so all sequences will be ccompared in pairwise fashion) which can become computationally expensive. + +### Output + +- SHAP Plot (SVG/PNG/PDF): Visual explanation for the top 10 sites cotributing to prediction differences. +- SHAP Data (CSV): Detailed feature attribution values. +- Run Log (TXT): A record of the commands use and other information pertaining to the shap prediction. + +***Note - Once again, all outputs are written into subfolders generated based on your 'prediction-prefix' under your specified output directory, and are marked by time and date. + +--- +## License +All data and code is covered under a GNU General Public License (GPL)(Version 3), in accordance with Open Source Initiative (OSI)-policies + +## Citation + +- **IF citing this GitHub and its contents use the following DOI provided by Zenodo...** + + 10.5281/zenodo.10667840 + +- **IF you use OPTICS in your research, please cite the following paper(s):** + + - Our more recent publication directly on the making/utility of OPTICS. + + Seth A. Frazer, Todd H. Oakley. Accessible and Robust Machine Learning Approaches to Improve the Opsin Genotype-Phenotype Map. bioRxiv, 2025.08.22.671864. https://doi.org/10.1101/2025.08.22.671864 + + - Our original paper on the development of VPOD; the opsin genotype-phenotype database backbone for training the ML models used in OPTICS. + + Seth A. Frazer, Mahdi Baghbanzadeh, Ali Rahnavard, Keith A. Crandall, & Todd H Oakley. Discovering genotype-phenotype relationships with machine learning and the Visual Physiology Opsin Database (VPOD). GigaScience, 2024.09.01. https://doi.org/10.1093/gigascience/giae073 + +## Contact +Contact information for author questions or feedback. + + **Todd H. Oakley** - [ORCID ID](https://orcid.org/0000-0002-4478-915X) + + oakley@ucsb.edu + +**Seth A. Frazer** - [ORCID ID](https://orcid.org/0000-0002-3800-212X) + + sethfrazer@ucsb.edu + +--- +## Additional Notes/Resources + +- Want to use OPTICS without the hassle of the setup? -> [CLICK HERE](http://galaxy-dev.cnsi.ucsb.edu:8080/?tool_id=optics_1&version=latest) to visit our Galaxy Project server and use our tool! + +- *OPTICS v1.3 uses VPOD_v1.3 for training.* + +- **[Here](https://tinyurl.com/u7hn9adm)** is a link to a bibliography of the publications used to build VPOD_v1.2 (VPOD_v1.3 version not yet released) + +- If you know of publications for training opsin ML models not included in the VPOD_v1.2 database, please send them to us through **[this form](https://tinyurl.com/29afaxyr)** + +- Check out the **[VPOD GitHub](https://github.com/VisualPhysiologyDB/visual-physiology-opsin-db)** repository to learn more about our database and ML models! diff --git a/README.md b/README.md index caaecbd2..ecd5b7a5 100644 --- a/README.md +++ b/README.md @@ -1,292 +1,318 @@ **Code**: [![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0) **Data**: [![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0) **VPOD_v1.2 DOI**: [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.12213246.svg)](https://doi.org/10.5281/zenodo.12213246) +Opsin Phenotype Tool for Inference of Color Sensitivity (OPTICS) [v1.3] +======================================================================= -# Opsin Phenotype Tool for Inference of Color Sensitivity (OPTICS) [v1.3] - -![](https://github.com/VisualPhysiologyDB/optics/blob/main/data/logo/optics_bs_fig_ex.svg?raw=true) - - _Example Box Plot Output for Bootstrap Predictions of Opsin λmax by OPTICS_ - ---- -## Description -- **OPTICS** is an open-source tool that predicts the Opsin Phenotype (λmax) from unaligned opsin amino-acid sequences. -- **OPTICS** leverages machine learning models trained on the Visual Physiology Opsin Database (VPOD). -- **OPTICS** can be downloaded and used as a command-line or GUI tool. -- **OPTICS** is also avaliable as an online tool [**here**](http://galaxy-dev.cnsi.ucsb.edu:8080/?tool_id=optics_1&version=latest), hosted on our [**Galaxy Project**](https://usegalaxy.org/) server. -- **Check out our pre-print [Accessible and Robust Machine Learning Approaches to Improve the Opsin Genotype-Phenotype Map](https://doi.org/10.1101/2025.08.22.671864) to read more about it!** - -## Key Features - -- **λmax Prediction**: Predicts the peak light absorption wavelength (λmax) for opsin proteins. -- **Model Selection**: Choose from different pre-trained models for prediction. -- **Encoding Methods**: Select between one-hot encoding or amino-acid property encoding for model training and prediction. -- **BLAST Analysis**: Optionally perform BLASTp analysis to compare query sequences against reference datasets. -- **Bootstrap Predictions**: Optionally enable bootstrap predictions for enhanced accuracy assessment. -- **Prediction Explanation**: Utilizes SHAP to explain the key features driving the λmax difference between any two sequences. - -## Table of Contents - -1. [Installation](#installation) -2. [Usage](#usage) - * [```optics_predictions.py```](#main-prediction-script-optics_predictionspy) - * [Using the OPTICS GUI](#using-the-optics-gui-run_optics_guipy---an-more-user-friendly-alternative-to-command-line) - * [Understanding Model Choice](#understanding-the-λmax-prediction-models) - * [```optics_shap.py```](#explaining-prediction-differences-with-shap-optics_shappy) -3. [License](#license) -4. [Citation](#citation) -5. [Contact](#contact) -6. [Additional Resources](#additional-notesresources) - -## Installation - -1. **Clone the repository:** - ```bash - git clone https://github.com/VisualPhysiologyDB/optics.git - -2. **Install dependencies:** [Make sure you are working in the repository directory from here-after] - - A. Create a Conda environment for OPTICS (make sure you have [Conda](https://www.anaconda.com/) installed) - ```bash - conda create --name optics_env python=3.11 - ``` - ### THEN - ```bash - conda activate optics_env - ``` - B. Use the 'requirements.txt' file to download base package dependencies for OPTICS - ```bash - pip install -r requirements.txt - ``` - - - C. **Download MAFFT and BLAST** - - IF working on MAC or LINUX device: - - - Install _BLAST_ and _MAFFT_ directly from the _bioconda_ channel - ```bash - conda install bioconda::blast bioconda::mafft - ``` - - IF working on WINDOWS device: - - Manaully install the Windows compatable [BLAST](https://blast.ncbi.nlm.nih.gov/doc/blast-help/downloadblastdata.html#downloadblastdata) executable on your system PATH; [the download list is here](https://ftp.ncbi.nlm.nih.gov/blast/executables/blast+/LATEST/) - - We suggest downloading '[ncbi-blast-2.16.0+-win64.exe](https://ftp.ncbi.nlm.nih.gov/blast/executables/blast+/LATEST/ncbi-blast-2.16.0+-win64.exe)' - - You DO NOT need to download MAFFT, OPTICS should be able to run MAFFT from the files we provide when downloading this GitHub. - - -## Usage - - **MAKE SURE YOU HAVE ALL DEPENDENCIES DOWNLOADED AND THAT YOU ARE IN THE FOLDER DIRECTORY FOR OPTICS (or have loaded it as a module) BEFORE RUNNING ANY SCRIPTS!** - - ### Main prediction script (```optics_predictions.py```) - - ``` -Required Args: +*Example Box Plot Output for Bootstrap Predictions of Opsin λmax by OPTICS* - -i, --input: Either a single sequence or a path to a FASTA file. +Description +----------- -General Optional Args: +- **OPTICS** is an open-source tool that predicts the Opsin Phenotype (λmax) from unaligned opsin amino-acid sequences. - -o, --output_dir: Desired directory to save output folder/files (optional). Default: './prediction_outputs' +- **OPTICS** leverages machine learning models trained on the Visual Physiology Opsin Database (VPOD). - -p, --prediction_prefix: Base filename for prediction outputs. Default: 'unnamed' +- **OPTICS** allows for **structural mapping** of prediction features, translating machine learning insights directly onto 3D protein structures (PDB). - -v, --model_version: Version of models to use (optional). Based on the version of VPOD used to train models. Options/Default: vpod_1.3 (More version coming later) +- **OPTICS** can be downloaded and used as a command-line or GUI tool. - -m, --model: Prediction model to use. Options: whole-dataset, wildtype, vertebrate, invertebrate, wildtype-vert, type-one, whole-dataset-mnm, wildtype-mnm, vertebrate-mnm, invertebrate-mnm, wildtype-vert-mnm. **Default: whole-dataset** +- **OPTICS** is also available as an online tool [**here**](http://galaxy-dev.cnsi.ucsb.edu:8080/?tool_id=optics_1&version=latest "null"), hosted on our [**Galaxy Project**](https://usegalaxy.org/ "null") server. - -e, --encoding: Encoding method to use (optional). Options: one_hot, aa_prop. Default: aa_prop +- **Check out our pre-print** [**Accessible and Robust Machine Learning Approaches to Improve the Opsin Genotype-Phenotype Map**](https://doi.org/10.1101/2025.08.22.671864 "null") **to read more about it!** - --tolerate_non_standard_aa: Allows OPTICS to run predictions on sequences with 'non-standard' amino-acids (e.g. - 'X','O','B', etc...)(optional). Default: True +Key Features +------------ - --tolerate_incomplete_seqs: Allows OPTICS to run predictions on sequences outside the predefined limits of 250-650 amino-acids. (optional) Default: False - NOTE - if you enable this option, then you may have predictions on incomplete sequences, which should be treated as less accurate. +- **λmax Prediction**: Predicts the peak light absorption wavelength (λmax) for opsin proteins. - --n_jobs: Number of parallel processes to run (optional). -1 is the default, utilizing all avaiable processors., +- **Model Selection**: Choose from different pre-trained models for prediction (e.g., vertebrate, invertebrate, wildtype). +- **Encoding Methods**: Select between one-hot encoding or amino-acid property encoding. -BLASTp Analysis Args (optional): +- **BLAST Analysis**: Optionally perform BLASTp analysis to compare query sequences against reference datasets. - --blastp: Enable BLASTp analysis. +- **Bootstrap Predictions**: Enable bootstrap predictions for enhanced accuracy assessment with confidence intervals. - --blastp_report: Filename for BLASTp report. Default: blastp_report.txt +- **Prediction Explanation (SHAP)**: Explains the key features driving the λmax difference between sequences using SHAP values. - --refseq: Reference sequence used for blastp analysis. Options: bovine, squid, microbe, custom. Default: bovine +- **Structure Mapping (NEW)**: Project SHAP importance values onto 3D PDB structures to create "importance heatmaps." - --custom_ref_file: Path to a custom reference sequence file for BLASTp. Required if --refseq custom is selected. +- **Structure Annotation (NEW)**: Visualize custom annotations on 3D structures using automated PyMOL or ChimeraX scripting. -Bootstrap Analysis Args (optional): +Table of Contents +----------------- - --bootstrap: Enable bootstrap predictions. +1. [Installation](https://www.google.com/search?q=%23installation "null") - --visualize_bootstrap: Enable visualization of bootstrap predictions. +2. [Data File Structure](https://www.google.com/search?q=%23data-file-structure "null") - --bootstrap_num: Number of bootstrap models to load for prediction replicates. Default // Maximum: 100 +3. [Usage](https://www.google.com/search?q=%23usage "null") - --bootstrap_viz_file: Filename prefix for bootstrap visualization. Default: bootstrap_viz + - [Prediction: `optics_predictions.py`](https://www.google.com/search?q=%231-prediction-optics_predictionspy "null") - --save_viz_as: File type for bootstrap visualizations. Options: SVG, PNG, or PDF Default: SVG - - --full_spectrum_xaxis: Enables visualization of predictions on a full spectrum x-axis (300-650nm). Otherwise, x-axis is scaled with predictions. + - [Explanation: `optics_shap.py`](https://www.google.com/search?q=%232-explanation-optics_shappy "null") - ``` - ### Example Command Line Usage vvv - - ```bash - python optics_predictions.py -i ./examples/optics_ex_short.txt -o ./examples -p ex_predictions -m wildtype -e aa_prop --blastp --blastp_report blastp_report_ex --refseq squid --bootstrap --visualize_bootstrap --bootstrap_viz_file bootstrap_viz --save_viz_as svg - ``` + - [Structure Mapping: `optics_structure_map.py`](https://www.google.com/search?q=%233-structural-mapping-optics_structure_mappy "null") -### Input + - [Annotation: `optics_structure_annotations.py`](https://www.google.com/search?q=%234-structure-annotation-optics_structure_annotationspy "null") -- **Unaligned** FASTA file containing opsin amino-acid sequences. -- Example FASTA Entry: - ``` - >NP_001014890.1_rhodopsin_Bos_taurus - MNGTEGPNFYVPFSNKTGVVRSPFEAPQYYLAEPWQFSMLAAYMFLLIMLGFPINFLTLYVTVQHKKLRT - PLNYILLNLAVADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVC - KPMSNFRFGENHAIMGVAFTWVMALACAAPPLVGWSRYIPEGMQCSCGIDYYTPHEETNNESFVIYMFVV - HFIIPLIVIFFCYGQLVFTVKEAAAQQQESATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQG - SDFGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTTLCCGKNPLGDDEASTTVSKTETSQVAPA   - ``` -### Output + - [GUI: `run_optics_gui.py`](https://www.google.com/search?q=%235-using-the-optics-gui "null") -- Predictions (TSV): λmax values, model used, and encoding method. -- BLAST Results (TXT, optional): Comparison of query sequences to reference datasets. -- Bootstrap Graphs (PDF, optional): Visualization of bootstrap prediction results. -- Job Log (TXT): Log file containing input command to OPTICS, including encoding method and model used. +4. [Understanding Model Choice](https://www.google.com/search?q=%23understanding-the-%CE%BBmax-prediction-models "null") - **Note** - All outputs are written into subfolders generated based on your 'prediction-prefix' under your specified output directory, and are marked by time and date. +5. [License & Citation](https://www.google.com/search?q=%23license "null") -## **Using the OPTICS GUI (```run_optics_gui.py```)** - An more user-friendly alternative to command-line +Installation +------------ -That's right! No-need for command line, OPTICS can also be used as a GUI! -The usage is quite simple, just use the command below (with your OPTICS conda enviornment activated) and get to predicting. ;) +1. **Clone the repository:** - ### Example GUI Usage vvv - - ```bash - python run_optics_gui.py - ``` + ``` + git clone [https://github.com/VisualPhysiologyDB/optics.git](https://github.com/VisualPhysiologyDB/optics.git) -ex optics gui + ``` -_Example of the OPTICS GUI interface_ +2. **Install dependencies:** [Make sure you are working in the repository directory from here-after] -## **Understanding the λmax Prediction Models** + A. Create a Conda environment for OPTICS (make sure you have [Conda](https://www.anaconda.com/ "null") installed) -The ```--model``` flag allows you to select a specific pre-trained model for wavelength prediction. Each available model is named after the data-subset it was trained on, allowing you to choose the one best suited for your research question. This was originally done to test how factors like taxonomic group or gene family inclusivity impact prediction performance. + ``` + conda create --name optics_env python=3.11 -### **Base Model Datasets** + ``` + + ### THEN + + ``` + conda activate optics_env + + ``` + + B. Use the 'requirements.txt' file to download base package dependencies for OPTICS + + ``` + pip install -r requirements.txt + + ``` + + C. **Download MAFFT and BLAST** + + IF working on MAC or LINUX device: + + - Install *BLAST* and *MAFFT* directly from the *bioconda* channel + + ``` + conda install bioconda::blast bioconda::mafft + + ``` + + IF working on WINDOWS device: + + - Manually install the Windows compatible [BLAST](https://blast.ncbi.nlm.nih.gov/doc/blast-help/downloadblastdata.html#downloadblastdata "null") executable on your system PATH. + + - You DO NOT need to download MAFFT; OPTICS includes a Windows-compatible version in the `optics_scripts/mafft` folder that it will try to use automatically. + +Data File Structure +------------------- + +OPTICS relies on a specific directory structure to locate models, alignment files, and cache data. When you clone the repository, the structure should generally look like this: -The primary models include: +``` +optics/ +├── data/ +│ ├── fasta/ # Alignment files for each model version (e.g., vpod_1.3) +│ ├── blast_dbs/ # BLAST databases for sequence identity checks +│ ├── aa_property_index/ # AA property values used for feature encoding +│ ├── importance_reports/ # Site translation dictionaries (Feature Name -> True Position) +│ ├── cached_predictions/ # Stores previous predictions (JSON) to speed up runtime +│ └── cached_structures/ # Stores downloaded PDB files (e.g., 1U19.pdb) +├── models/ +│ ├── reg_models/ # Regression models (XGBoost/GradientBoosting) for point predictions +│ └── bs_models/ # Bootstrap model ensembles for confidence intervals +├── optics_scripts/ # Helper modules (utils, blast, bootstrap, maft wrappers, etc.) +└── prediction_outputs/ # Default output directory for all runs -* **whole-dataset**: Trained on the entire VPOD dataset, including all taxonomic groups and both wild-type and mutant sequences. In most cases, **this is the recommended model** as it leverages the most data. - * Generally, more data = better models (assuming that data is good data) -* **wildtype**: Trained exclusively on wild-type opsin sequences, with all mutant sequences removed. -* **vertebrate**: Trained only on sequences from the phylum Chordata. -* **invertebrate**: Trained only on sequences from species not in the phylum Chordata. -* **wildtype-vert**: A more specific subset containing only wild-type sequences from vertebrates. +``` -### **The ```-mnm``` Suffix: Dataset Augmentation with Mine-n-Match (MNM)** +*Note: The `cached_predictions` folder allows OPTICS to skip re-running heavy alignment/prediction steps for sequences it has seen before. You can clear this folder to force a fresh run.* -The key difference between models with and without the ```-mnm``` suffix lies in the source of the phenotype data (the λmax values). +Usage +----- -* **Standard models** (e.g., wildtype): These are trained *exclusively* on data where the sequence-to-relationship was validated experimentally through **heterologous expression**. This represents a controlled, in-vitro dataset. -* **```-mnm``` models** (e.g., wildtype-mnm): These are trained on an augmented dataset. It includes the standard heterologous expression data *plus* additional data from our **"Mine-n-Match" (mnm)** procedure. This process systematically infers connections between sequences and **in-vivo** measurements, providing a broader and more biologically contextualized training set. - * Note, the methodology behind MNM and the implimentation of that data into VPOD/OPTICS is elaborated upon in our publication introducing OPTICS ([Frazer et al. 2025](https://doi.org/10.1101/2025.08.22.671864) ) ---- +**MAKE SURE YOU HAVE ALL DEPENDENCIES DOWNLOADED AND THAT YOU ARE IN THE FOLDER DIRECTORY FOR OPTICS (or have loaded it as a module) BEFORE RUNNING ANY SCRIPTS!** -### Explaining Prediction Differences with SHAP (```optics_shap.py```) -For users interested in the "nitty-gritty" of _why_ sequences have different predicted λmax values, we provide a specialized script that uses *SHAP* (SHapley Additive exPlanations). This tool generates a plot and detailed data files that attribute the difference in prediction to specific features (i.e., amino acid sites and their properties). +### 1\. Prediction (`optics_predictions.py`) -![](https://github.com/VisualPhysiologyDB/optics/blob/main/examples/optics_shap_on_short_ex_test_aa_prop_2026-01-09_02-28-40/Bombus_impatiens_424_individual_shap.svg?raw=true) +The main script for generating λmax predictions. -_Example SHAP plot for explaining individual predictions of opsin λmax by OPTICS_ +``` +Required Args: + -i, --input: Either a single sequence string or a path to a FASTA file. -![](https://github.com/VisualPhysiologyDB/optics/blob/main/examples/optics_shap_on_short_ex_test_aa_prop_2026-01-09_02-28-40/Bombus_impatiens_424_vs_Bombus_impatiens_347_viz.svg?raw=true) +General Optional Args: + -o, --output_dir: Desired directory to save output. Default: './prediction_outputs' + -p, --prediction_prefix: Base filename for prediction outputs. + -v, --model_version: Version of models (e.g., vpod_1.3). + -m, --model: Prediction model to use. Default: whole-dataset + -e, --encoding: Encoding method (one_hot, aa_prop). Default: aa_prop + --tolerate_non_standard_aa: Allow sequences with non-standard AAs (X, B, Z) by stripping them. Default: True + --tolerate_incomplete_seqs: Allow sequences outside 250-650aa range. Default: False + --n_jobs: Number of parallel processes. Default: -1 (all CPUs) + +BLASTp & Bootstrap Args (Optional): + --blastp: Enable BLASTp analysis. + --blastp_report: Filename for BLASTp report. + --refseq: Reference sequence for BLAST (bovine, squid, microbe, custom). + --bootstrap: Enable bootstrap predictions (provides confidence intervals). + --bootstrap_num: Number of replicates (max 100). + --visualize_bootstrap: Generate box-plots for bootstrap results. + --full_spectrum_xaxis: Force x-axis to show 300-650nm range on plots. -_Example SHAP comparison plot for explaining pair-wise differences in predictions of opsin λmax by OPTICS_ +``` -This script requires a **FASTA file** -- File must contain at least **two or more sequences** if you are running a SHAP comparison. -- Only a single sequence is needed for an individual SHAP explination +**Example Command:** -### SHAP Script Parameters -Most parameters are identical to the main prediction script. Below are the key arguments: +``` +python optics_predictions.py -i ./examples/optics_ex_short.txt -p ex_pred -m wildtype --blastp --bootstrap --visualize_bootstrap + +``` + +### 2\. Explanation (`optics_shap.py`) + +Generates SHAP (SHapley Additive exPlanations) plots to explain *why* a model predicted a specific value, or to attribute the difference between two sequences to specific amino acid sites. ``` Required Args: - -i, --input: Path to a FASTA file containing two sequences to compare. + -i, --input: Path to FASTA file (must contain at least 2 sequences for comparison mode). Optional Args: - -o, --output_dir: Directory to save the SHAP analysis output folder. - -p, --prediction_prefix: Base filename for the SHAP plot and data files. - --mode: Analysis mode: select 'comparison' for pairwise SHAP comparison of all sequence predictions, 'single' for individual SHAP explinations of all sequences, or 'both' for both outputs. - -m, --model: Prediction model to use for the comparison. - -e, --encoding: Encoding method to use. - --n_positions: Number of positions to show on SHAP explanation graphs. Default=10 to limit noisiness. - --save_viz_as: File type for the SHAP visualization (svg, png, or pdf). - --use_reference_sites : Enable to use reference site numbering (i.e. - Bovine or Squid Rhodopsin), instead of feature names. + -o, --output_dir: Directory to save results. + --mode: 'single' (explain one seq), 'comparison' (explain difference between two), or 'both'. + --n_positions: Number of top features to show on the graph. Default: 10. + --use_reference_sites: If set, plots use Reference Numbering (e.g., Bovine Rhodopsin sites) instead of alignment feature names. + --save_viz_as: File format (svg, png, pdf). + -m, --model: Prediction model to use. + +``` + +**Example Command:** + ``` +python optics_shap.py -i ./examples/optics_ex_short.fasta -p shap_analysis --mode comparison --use_reference_sites -### Example Command Line Usage vvv +``` + +### 3\. Structural Mapping (`optics_structure_map.py`) + +**NEW in v1.3!** This script takes the output CSV from the SHAP analysis and maps the importance values onto a 3D protein structure (PDB). It modifies the B-factor column of the PDB file, allowing you to visualize "importance" as a heat map (Blue=Low, Red=High importance). -```bash -python optics_shap.py -i ./examples/optics_ex_short.fasta -o ./examples -p short_ex_test_aa_prop --mode both --use_reference_sites ``` +Required Args: + -s, --shap_csv: Path to the SHAP analysis CSV file generated by optics_shap.py. + +Optional Args: + -p, --pdb_file: Path to a local PDB file OR a 4-letter PDB ID (e.g., 1U19). Default: 1U19 (Bovine Rhodopsin). + -o, --output_dir: Output directory. + --chain: Chain ID to map to. Default: A. + --use_query_position: Check this if your CSV uses target sequence numbering rather than reference numbering. + --map_bovine_also: If using a custom PDB, this flag forces a second output mapped to Bovine Rhodopsin (1U19) for comparison. + +``` + +**Example Command:** + +``` +python optics_structure_map.py -s ./examples/shap_output/my_seq_shap_analysis.csv -p 1U19 --map_bovine_also + +``` + +*Output: Generates a `.pdb` file with importance scores in the B-factor column and a `.pml` script to automatically visualize it in PyMOL.* + +### 4\. Structure Annotation (`optics_structure_annotations.py`) + +**NEW in v1.3!** A general-purpose tool to visualize arbitrary annotations (e.g., mutation sites, binding pockets) on a structure. It takes a simple CSV and creates a runnable visualization script. + +``` +Required Args: + -a, --annotation_file: CSV/TSV file with columns: 'position' (required), 'color' (optional), 'style' (optional), 'label' (optional). + +Optional Args: + -p, --pdb: PDB ID or path. Default: 1U19. + --software: Target visualization software ('pymol' or 'chimerax'). Default: chimerax. + --chain: Chain identifier. + +``` + +**Example Command:** + +``` +python optics_structure_annotations.py -a ./examples/mutations.csv -p 1U19 --software pymol + +``` + +### 5\. Using the OPTICS GUI + +OPTICS includes a graphical interface for users who prefer not to use the command line. + +**To run the GUI:** + +``` +python run_optics_gui.py + +``` + +ex optics gui + +The GUI provides tabs/buttons for all four major pipelines: + +1. **Standard Predictions**: Run the main λmax prediction workflow. + +2. **SHAP Interpretation**: Run feature attribution analysis. + +3. **Structure Mapping**: Map SHAP values to PDB files. + +4. **Structure Annotations**: Visualize custom data on structures. + +Understanding the λmax Prediction Models +---------------------------------------- + +The `--model` flag allows you to select a specific pre-trained model. Each is named after the data-subset it was trained on: + +### **Base Model Datasets** -### Input -- **Unaligned** FASTA file containing any number of opsin amino-acid sequences for shap comparison. -- Please note - if you are doing comparison mode (or both) this is combinatorial (so all sequences will be ccompared in pairwise fashion) which can become computationally expensive. +- **whole-dataset**: Trained on the entire VPOD dataset. **Recommended**. -### Output +- **wildtype**: Trained exclusively on wild-type sequences. -- SHAP Plot (SVG/PNG/PDF): Visual explanation for the top 10 sites cotributing to prediction differences. -- SHAP Data (CSV): Detailed feature attribution values. -- Run Log (TXT): A record of the commands use and other information pertaining to the shap prediction. +- **vertebrate** / **invertebrate**: Taxonomic subsets. -***Note - Once again, all outputs are written into subfolders generated based on your 'prediction-prefix' under your specified output directory, and are marked by time and date. +- **wildtype-vert**: Wild-type vertebrate sequences only. ---- -## License -All data and code is covered under a GNU General Public License (GPL)(Version 3), in accordance with Open Source Initiative (OSI)-policies +### **The `-mnm` Suffix** -## Citation +Models ending in **-mnm** (e.g., `wildtype-mnm`) are trained on augmented datasets. -- **IF citing this GitHub and its contents use the following DOI provided by Zenodo...** +- **Standard models**: Trained *exclusively* on heterologous expression data (in-vitro). - 10.5281/zenodo.10667840 - -- **IF you use OPTICS in your research, please cite the following paper(s):** +- **-mnm models**: Trained on heterologous data *plus* data inferred via our **"Mine-n-Match"** procedure (in-vivo correlations). See [Frazer et al. 2025](https://doi.org/10.1101/2025.08.22.671864 "null") for details. - - Our more recent publication directly on the making/utility of OPTICS. +License +------- - Seth A. Frazer, Todd H. Oakley. Accessible and Robust Machine Learning Approaches to Improve the Opsin Genotype-Phenotype Map. bioRxiv, 2025.08.22.671864. https://doi.org/10.1101/2025.08.22.671864 - - - Our original paper on the development of VPOD; the opsin genotype-phenotype database backbone for training the ML models used in OPTICS. +All data and code is covered under a GNU General Public License (GPL)(Version 3). - Seth A. Frazer, Mahdi Baghbanzadeh, Ali Rahnavard, Keith A. Crandall, & Todd H Oakley. Discovering genotype-phenotype relationships with machine learning and the Visual Physiology Opsin Database (VPOD). GigaScience, 2024.09.01. https://doi.org/10.1093/gigascience/giae073 +Citation +-------- -## Contact -Contact information for author questions or feedback. +- **Code/Repository:** 10.5281/zenodo.10667840 - **Todd H. Oakley** - [ORCID ID](https://orcid.org/0000-0002-4478-915X) - - oakley@ucsb.edu - -**Seth A. Frazer** - [ORCID ID](https://orcid.org/0000-0002-3800-212X) +- **OPTICS Publication (Methodology & Tools):** Seth A. Frazer, Todd H. Oakley. Accessible and Robust Machine Learning Approaches to Improve the Opsin Genotype-Phenotype Map. bioRxiv, 2025.08.22.671864. https://doi.org/10.1101/2025.08.22.671864 - sethfrazer@ucsb.edu - ---- -## Additional Notes/Resources +- **VPOD Publication (Database & Training Data):** Seth A. Frazer, Mahdi Baghbanzadeh, Ali Rahnavard, Keith A. Crandall, & Todd H Oakley. Discovering genotype-phenotype relationships with machine learning and the Visual Physiology Opsin Database (VPOD). GigaScience, 2024.09.01. https://doi.org/10.1093/gigascience/giae073 -- Want to use OPTICS without the hassle of the setup? -> [CLICK HERE](http://galaxy-dev.cnsi.ucsb.edu:8080/?tool_id=optics_1&version=latest) to visit our Galaxy Project server and use our tool! +Contact +------- -- *OPTICS v1.3 uses VPOD_v1.3 for training.* +**Todd H. Oakley** - [ORCID](https://orcid.org/0000-0002-4478-915X "null") - oakley@ucsb.edu -- **[Here](https://tinyurl.com/u7hn9adm)** is a link to a bibliography of the publications used to build VPOD_v1.2 (VPOD_v1.3 version not yet released) - -- If you know of publications for training opsin ML models not included in the VPOD_v1.2 database, please send them to us through **[this form](https://tinyurl.com/29afaxyr)** - -- Check out the **[VPOD GitHub](https://github.com/VisualPhysiologyDB/visual-physiology-opsin-db)** repository to learn more about our database and ML models! +**Seth A. Frazer** - [ORCID](https://orcid.org/0000-0002-3800-212X "null") - sethfrazer@ucsb.edu \ No newline at end of file diff --git a/examples/1U19.pdb b/examples/1U19.pdb new file mode 100644 index 00000000..874b9267 --- /dev/null +++ b/examples/1U19.pdb @@ -0,0 +1,7062 @@ +HEADER SIGNALING PROTEIN 15-JUL-04 1U19 +TITLE CRYSTAL STRUCTURE OF BOVINE RHODOPSIN AT 2.2 ANGSTROMS RESOLUTION +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: RHODOPSIN; +COMPND 3 CHAIN: A, B +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; +SOURCE 3 ORGANISM_COMMON: CATTLE; +SOURCE 4 ORGANISM_TAXID: 9913 +KEYWDS G PROTEIN-COUPLED RECEPTOR, MEMBRANE PROTEIN, RETINAL PROTEIN, +KEYWDS 2 PHOTORECEPTOR, SIGNALING PROTEIN +EXPDTA X-RAY DIFFRACTION +AUTHOR T.OKADA,M.SUGIHARA,A.N.BONDAR,M.ELSTNER,P.ENTEL,V.BUSS +REVDAT 7 09-OCT-24 1U19 1 REMARK +REVDAT 6 25-OCT-23 1U19 1 HETSYN +REVDAT 5 29-JUL-20 1U19 1 COMPND REMARK HETNAM LINK +REVDAT 5 2 1 SITE ATOM +REVDAT 4 25-MAR-15 1U19 1 REMARK +REVDAT 3 13-JUL-11 1U19 1 VERSN +REVDAT 2 24-FEB-09 1U19 1 VERSN +REVDAT 1 12-OCT-04 1U19 0 +JRNL AUTH T.OKADA,M.SUGIHARA,A.N.BONDAR,M.ELSTNER,P.ENTEL,V.BUSS +JRNL TITL THE RETINAL CONFORMATION AND ITS ENVIRONMENT IN RHODOPSIN IN +JRNL TITL 2 LIGHT OF A NEW 2.2 A CRYSTAL STRUCTURE +JRNL REF J.MOL.BIOL. V. 342 571 2004 +JRNL REFN ISSN 0022-2836 +JRNL PMID 15327956 +JRNL DOI 10.1016/J.JMB.2004.07.044 +REMARK 2 +REMARK 2 RESOLUTION. 2.20 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : CNS +REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- +REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, +REMARK 3 : READ,RICE,SIMONSON,WARREN +REMARK 3 +REMARK 3 REFINEMENT TARGET : ENGH & HUBER +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 50.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 85.4 +REMARK 3 NUMBER OF REFLECTIONS : 59552 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING SET) : 0.200 +REMARK 3 FREE R VALUE : 0.222 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : 2839 +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : NULL +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL +REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL +REMARK 3 BIN R VALUE (WORKING SET) : NULL +REMARK 3 BIN FREE R VALUE : NULL +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 5498 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 384 +REMARK 3 SOLVENT ATOMS : 66 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : 42.10 +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.32 +REMARK 3 ESD FROM SIGMAA (A) : 0.53 +REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.34 +REMARK 3 ESD FROM C-V SIGMAA (A) : 0.49 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.012 +REMARK 3 BOND ANGLES (DEGREES) : 1.400 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : 20.60 +REMARK 3 IMPROPER ANGLES (DEGREES) : 0.970 +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELING. +REMARK 3 METHOD USED : NULL +REMARK 3 KSOL : NULL +REMARK 3 BSOL : NULL +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : NULL +REMARK 3 TOPOLOGY FILE 1 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1U19 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 21-JUL-04. +REMARK 100 THE DEPOSITION ID IS D_1000023119. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 10-MAR-03 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 6.0 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : SPRING-8 +REMARK 200 BEAMLINE : BL41XU +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.0000 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 +REMARK 200 DATA SCALING SOFTWARE : SCALEPACK +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 61728 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200 +REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 88.4 +REMARK 200 DATA REDUNDANCY : 3.200 +REMARK 200 R MERGE (I) : 0.09300 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 11.9000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.28 +REMARK 200 COMPLETENESS FOR SHELL (%) : 46.2 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : 0.66700 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 1.200 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: AMORE +REMARK 200 STARTING MODEL: PDB ENTRY 1L9H +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 71.00 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.20 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: AMMONIUM SULFATE, PH 6.0, VAPOR +REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 283K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,-Y,Z+1/2 +REMARK 290 3555 -Y,X,Z+1/4 +REMARK 290 4555 Y,-X,Z+3/4 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 75.10000 +REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 37.55000 +REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 112.65000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, C, D +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, E, F +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 ND1 HIS A 65 O VAL A 337 2.18 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC +REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 +REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A +REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 +REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE +REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. +REMARK 500 +REMARK 500 DISTANCE CUTOFF: +REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS +REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE +REMARK 500 NE2 GLN A 344 O6 HTG B 1509 4564 2.04 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 PRO B 347 C - N - CA ANGL. DEV. = 9.1 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 TYR A 10 94.72 -164.52 +REMARK 500 GLU A 25 -25.20 -145.41 +REMARK 500 VAL A 139 -73.95 -68.59 +REMARK 500 LYS A 141 91.59 16.27 +REMARK 500 ASN A 145 36.50 -177.92 +REMARK 500 SER A 176 -163.64 66.65 +REMARK 500 GLN A 184 30.66 71.64 +REMARK 500 HIS A 195 81.05 4.65 +REMARK 500 HIS A 211 53.00 -114.92 +REMARK 500 PHE A 212 -83.13 179.74 +REMARK 500 LEU A 226 41.59 -78.43 +REMARK 500 THR A 229 -136.01 -81.41 +REMARK 500 ALA A 233 94.22 -62.40 +REMARK 500 ALA A 235 -151.04 -93.74 +REMARK 500 GLN A 238 125.99 69.04 +REMARK 500 SER A 240 17.04 167.58 +REMARK 500 ALA A 241 132.21 148.69 +REMARK 500 HIS A 278 47.56 -143.13 +REMARK 500 VAL A 300 -33.74 -133.39 +REMARK 500 CYS A 322 31.86 -67.16 +REMARK 500 CYS A 323 -68.14 45.04 +REMARK 500 LYS A 325 -118.21 -137.50 +REMARK 500 ASN A 326 72.32 54.51 +REMARK 500 PRO A 327 27.99 -69.90 +REMARK 500 LEU A 328 -101.09 11.79 +REMARK 500 ASP A 331 -151.01 61.85 +REMARK 500 ALA A 333 -29.31 68.77 +REMARK 500 SER A 334 -161.99 -107.01 +REMARK 500 THR A 335 159.81 -38.78 +REMARK 500 SER A 338 -144.27 -176.70 +REMARK 500 LYS A 339 -71.43 -108.32 +REMARK 500 GLU A 341 -121.86 -70.18 +REMARK 500 THR A 342 45.44 -97.23 +REMARK 500 GLN A 344 107.02 -51.12 +REMARK 500 ALA A 346 59.91 -146.16 +REMARK 500 PRO A 347 -107.93 -83.03 +REMARK 500 TYR B 10 97.71 -161.29 +REMARK 500 SER B 22 130.39 -37.97 +REMARK 500 LEU B 68 81.99 -67.11 +REMARK 500 ARG B 69 26.17 -147.78 +REMARK 500 LYS B 141 89.33 -1.40 +REMARK 500 SER B 144 -62.88 -109.26 +REMARK 500 SER B 176 -170.27 69.39 +REMARK 500 HIS B 195 74.83 15.58 +REMARK 500 GLU B 197 -14.18 -48.88 +REMARK 500 THR B 198 13.44 -145.39 +REMARK 500 HIS B 211 33.43 -96.96 +REMARK 500 PHE B 212 -72.86 -161.98 +REMARK 500 LEU B 226 36.71 -84.32 +REMARK 500 THR B 229 -144.12 -70.00 +REMARK 500 +REMARK 500 THIS ENTRY HAS 75 RAMACHANDRAN OUTLIERS. +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 610 +REMARK 610 MISSING HETEROATOM +REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 610 I=INSERTION CODE): +REMARK 610 M RES C SSEQI +REMARK 610 PLM A 1410 +REMARK 610 PLM B 1407 +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN A 962 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU A 122 OE1 +REMARK 620 2 TRP A 126 NE1 70.8 +REMARK 620 3 MET A 163 O 154.9 93.8 +REMARK 620 4 HIS A 211 ND1 101.7 83.0 95.7 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN A2011 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS A 195 NE2 +REMARK 620 2 GLU A 197 OE1 91.2 +REMARK 620 N 1 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN A 957 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU A 201 OE1 +REMARK 620 2 GLU A 201 OE2 60.8 +REMARK 620 3 GLN A 279 NE2 165.9 109.0 +REMARK 620 N 1 2 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 HG A 901 HG +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 CYS A 264 SG +REMARK 620 2 THR A 297 OG1 77.9 +REMARK 620 N 1 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN A 959 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 LYS A 311 NZ +REMARK 620 2 ASP A 330 N 108.4 +REMARK 620 N 1 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 HG A 905 HG +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLN A 312 O +REMARK 620 2 CYS A 316 SG 80.0 +REMARK 620 3 HOH A2061 O 135.4 78.5 +REMARK 620 N 1 2 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 HG B 906 HG +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS B 65 ND1 +REMARK 620 2 CYS B 316 SG 140.2 +REMARK 620 3 THR B 336 O 136.5 73.1 +REMARK 620 4 VAL B 337 O 74.3 141.9 68.9 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN B 963 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 TRP B 126 NE1 +REMARK 620 2 HIS B 211 ND1 86.5 +REMARK 620 N 1 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN B 956 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS B 195 NE2 +REMARK 620 2 GLU B 197 OE1 85.9 +REMARK 620 N 1 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN B 958 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU B 201 OE2 +REMARK 620 2 GLU B 201 OE1 57.0 +REMARK 620 3 GLN B 279 NE2 84.0 139.4 +REMARK 620 N 1 2 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 1F88 RELATED DB: PDB +REMARK 900 RELATED ID: 1HZX RELATED DB: PDB +REMARK 900 RELATED ID: 1L9H RELATED DB: PDB +DBREF 1U19 A 1 348 UNP P02699 OPSD_BOVIN 1 348 +DBREF 1U19 B 1 348 UNP P02699 OPSD_BOVIN 1 348 +SEQRES 1 A 349 ACE MET ASN GLY THR GLU GLY PRO ASN PHE TYR VAL PRO +SEQRES 2 A 349 PHE SER ASN LYS THR GLY VAL VAL ARG SER PRO PHE GLU +SEQRES 3 A 349 ALA PRO GLN TYR TYR LEU ALA GLU PRO TRP GLN PHE SER +SEQRES 4 A 349 MET LEU ALA ALA TYR MET PHE LEU LEU ILE MET LEU GLY +SEQRES 5 A 349 PHE PRO ILE ASN PHE LEU THR LEU TYR VAL THR VAL GLN +SEQRES 6 A 349 HIS LYS LYS LEU ARG THR PRO LEU ASN TYR ILE LEU LEU +SEQRES 7 A 349 ASN LEU ALA VAL ALA ASP LEU PHE MET VAL PHE GLY GLY +SEQRES 8 A 349 PHE THR THR THR LEU TYR THR SER LEU HIS GLY TYR PHE +SEQRES 9 A 349 VAL PHE GLY PRO THR GLY CYS ASN LEU GLU GLY PHE PHE +SEQRES 10 A 349 ALA THR LEU GLY GLY GLU ILE ALA LEU TRP SER LEU VAL +SEQRES 11 A 349 VAL LEU ALA ILE GLU ARG TYR VAL VAL VAL CYS LYS PRO +SEQRES 12 A 349 MET SER ASN PHE ARG PHE GLY GLU ASN HIS ALA ILE MET +SEQRES 13 A 349 GLY VAL ALA PHE THR TRP VAL MET ALA LEU ALA CYS ALA +SEQRES 14 A 349 ALA PRO PRO LEU VAL GLY TRP SER ARG TYR ILE PRO GLU +SEQRES 15 A 349 GLY MET GLN CYS SER CYS GLY ILE ASP TYR TYR THR PRO +SEQRES 16 A 349 HIS GLU GLU THR ASN ASN GLU SER PHE VAL ILE TYR MET +SEQRES 17 A 349 PHE VAL VAL HIS PHE ILE ILE PRO LEU ILE VAL ILE PHE +SEQRES 18 A 349 PHE CYS TYR GLY GLN LEU VAL PHE THR VAL LYS GLU ALA +SEQRES 19 A 349 ALA ALA GLN GLN GLN GLU SER ALA THR THR GLN LYS ALA +SEQRES 20 A 349 GLU LYS GLU VAL THR ARG MET VAL ILE ILE MET VAL ILE +SEQRES 21 A 349 ALA PHE LEU ILE CYS TRP LEU PRO TYR ALA GLY VAL ALA +SEQRES 22 A 349 PHE TYR ILE PHE THR HIS GLN GLY SER ASP PHE GLY PRO +SEQRES 23 A 349 ILE PHE MET THR ILE PRO ALA PHE PHE ALA LYS THR SER +SEQRES 24 A 349 ALA VAL TYR ASN PRO VAL ILE TYR ILE MET MET ASN LYS +SEQRES 25 A 349 GLN PHE ARG ASN CYS MET VAL THR THR LEU CYS CYS GLY +SEQRES 26 A 349 LYS ASN PRO LEU GLY ASP ASP GLU ALA SER THR THR VAL +SEQRES 27 A 349 SER LYS THR GLU THR SER GLN VAL ALA PRO ALA +SEQRES 1 B 349 ACE MET ASN GLY THR GLU GLY PRO ASN PHE TYR VAL PRO +SEQRES 2 B 349 PHE SER ASN LYS THR GLY VAL VAL ARG SER PRO PHE GLU +SEQRES 3 B 349 ALA PRO GLN TYR TYR LEU ALA GLU PRO TRP GLN PHE SER +SEQRES 4 B 349 MET LEU ALA ALA TYR MET PHE LEU LEU ILE MET LEU GLY +SEQRES 5 B 349 PHE PRO ILE ASN PHE LEU THR LEU TYR VAL THR VAL GLN +SEQRES 6 B 349 HIS LYS LYS LEU ARG THR PRO LEU ASN TYR ILE LEU LEU +SEQRES 7 B 349 ASN LEU ALA VAL ALA ASP LEU PHE MET VAL PHE GLY GLY +SEQRES 8 B 349 PHE THR THR THR LEU TYR THR SER LEU HIS GLY TYR PHE +SEQRES 9 B 349 VAL PHE GLY PRO THR GLY CYS ASN LEU GLU GLY PHE PHE +SEQRES 10 B 349 ALA THR LEU GLY GLY GLU ILE ALA LEU TRP SER LEU VAL +SEQRES 11 B 349 VAL LEU ALA ILE GLU ARG TYR VAL VAL VAL CYS LYS PRO +SEQRES 12 B 349 MET SER ASN PHE ARG PHE GLY GLU ASN HIS ALA ILE MET +SEQRES 13 B 349 GLY VAL ALA PHE THR TRP VAL MET ALA LEU ALA CYS ALA +SEQRES 14 B 349 ALA PRO PRO LEU VAL GLY TRP SER ARG TYR ILE PRO GLU +SEQRES 15 B 349 GLY MET GLN CYS SER CYS GLY ILE ASP TYR TYR THR PRO +SEQRES 16 B 349 HIS GLU GLU THR ASN ASN GLU SER PHE VAL ILE TYR MET +SEQRES 17 B 349 PHE VAL VAL HIS PHE ILE ILE PRO LEU ILE VAL ILE PHE +SEQRES 18 B 349 PHE CYS TYR GLY GLN LEU VAL PHE THR VAL LYS GLU ALA +SEQRES 19 B 349 ALA ALA GLN GLN GLN GLU SER ALA THR THR GLN LYS ALA +SEQRES 20 B 349 GLU LYS GLU VAL THR ARG MET VAL ILE ILE MET VAL ILE +SEQRES 21 B 349 ALA PHE LEU ILE CYS TRP LEU PRO TYR ALA GLY VAL ALA +SEQRES 22 B 349 PHE TYR ILE PHE THR HIS GLN GLY SER ASP PHE GLY PRO +SEQRES 23 B 349 ILE PHE MET THR ILE PRO ALA PHE PHE ALA LYS THR SER +SEQRES 24 B 349 ALA VAL TYR ASN PRO VAL ILE TYR ILE MET MET ASN LYS +SEQRES 25 B 349 GLN PHE ARG ASN CYS MET VAL THR THR LEU CYS CYS GLY +SEQRES 26 B 349 LYS ASN PRO LEU GLY ASP ASP GLU ALA SER THR THR VAL +SEQRES 27 B 349 SER LYS THR GLU THR SER GLN VAL ALA PRO ALA +MODRES 1U19 ASN A 2 ASN GLYCOSYLATION SITE +MODRES 1U19 ASN A 15 ASN GLYCOSYLATION SITE +MODRES 1U19 ASN B 2 ASN GLYCOSYLATION SITE +MODRES 1U19 ASN B 15 ASN GLYCOSYLATION SITE +HET ACE A 0 3 +HET ACE B 0 3 +HET NAG C 1 14 +HET NAG C 2 14 +HET MAN C 3 11 +HET NAG D 1 14 +HET NAG D 2 14 +HET NAG E 1 14 +HET NAG E 2 14 +HET BMA E 3 11 +HET BMA E 4 11 +HET NAG F 1 14 +HET NAG F 2 14 +HET HG A 901 1 +HET HG A 903 1 +HET HG A 905 1 +HET ZN A 957 1 +HET ZN A 959 1 +HET ZN A 962 1 +HET ZN A2011 1 +HET RET A1296 20 +HET PLM A1322 17 +HET PLM A1323 17 +HET PLM A1410 16 +HET HTG A1507 19 +HET HG B 902 1 +HET HG B 904 1 +HET HG B 906 1 +HET ZN B 956 1 +HET ZN B 958 1 +HET ZN B 963 1 +HET RET B1296 20 +HET PLM B1322 17 +HET PLM B1323 17 +HET HTO B1401 10 +HET PLM B1407 16 +HET HTG B1506 19 +HET HTG B1508 19 +HET HTG B1509 19 +HETNAM ACE ACETYL GROUP +HETNAM NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE +HETNAM MAN ALPHA-D-MANNOPYRANOSE +HETNAM BMA BETA-D-MANNOPYRANOSE +HETNAM HG MERCURY (II) ION +HETNAM ZN ZINC ION +HETNAM RET RETINAL +HETNAM PLM PALMITIC ACID +HETNAM HTG HEPTYL 1-THIO-BETA-D-GLUCOPYRANOSIDE +HETNAM HTO HEPTANE-1,2,3-TRIOL +HETSYN NAG N-ACETYL-BETA-D-GLUCOSAMINE; 2-ACETAMIDO-2-DEOXY-BETA- +HETSYN 2 NAG D-GLUCOSE; 2-ACETAMIDO-2-DEOXY-D-GLUCOSE; 2-ACETAMIDO- +HETSYN 3 NAG 2-DEOXY-GLUCOSE; N-ACETYL-D-GLUCOSAMINE +HETSYN MAN ALPHA-D-MANNOSE; D-MANNOSE; MANNOSE +HETSYN BMA BETA-D-MANNOSE; D-MANNOSE; MANNOSE +HETSYN HTG HEPTYL 1-THIOHEXOPYRANOSIDE; HEPTYL 1-THIO-BETA-D- +HETSYN 2 HTG GLUCOSIDE; HEPTYL 1-THIO-D-GLUCOSIDE; HEPTYL 1-THIO- +HETSYN 3 HTG GLUCOSIDE +FORMUL 1 ACE 2(C2 H4 O) +FORMUL 3 NAG 8(C8 H15 N O6) +FORMUL 3 MAN C6 H12 O6 +FORMUL 5 BMA 2(C6 H12 O6) +FORMUL 7 HG 6(HG 2+) +FORMUL 10 ZN 7(ZN 2+) +FORMUL 14 RET 2(C20 H28 O) +FORMUL 15 PLM 6(C16 H32 O2) +FORMUL 18 HTG 4(C13 H26 O5 S) +FORMUL 28 HTO C7 H16 O3 +FORMUL 33 HOH *66(H2 O) +HELIX 1 1 GLU A 33 HIS A 65 1 33 +HELIX 2 2 THR A 70 GLY A 90 1 21 +HELIX 3 3 GLY A 90 GLY A 101 1 12 +HELIX 4 4 PHE A 105 CYS A 140 1 36 +HELIX 5 5 GLY A 149 ALA A 169 1 21 +HELIX 6 6 PRO A 170 VAL A 173 5 4 +HELIX 7 7 HIS A 195 THR A 198 5 4 +HELIX 8 8 ASN A 199 HIS A 211 1 13 +HELIX 9 9 PHE A 212 GLY A 224 1 13 +HELIX 10 10 ALA A 241 HIS A 278 1 38 +HELIX 11 11 GLY A 284 ALA A 295 1 12 +HELIX 12 12 LYS A 296 ALA A 299 5 4 +HELIX 13 13 VAL A 300 MET A 309 1 10 +HELIX 14 14 ASN A 310 CYS A 322 1 13 +HELIX 15 15 GLU B 33 HIS B 65 1 33 +HELIX 16 16 THR B 70 GLY B 90 1 21 +HELIX 17 17 GLY B 90 GLY B 101 1 12 +HELIX 18 18 PHE B 105 CYS B 140 1 36 +HELIX 19 19 GLY B 149 ALA B 169 1 21 +HELIX 20 20 PRO B 170 VAL B 173 5 4 +HELIX 21 21 HIS B 195 THR B 198 5 4 +HELIX 22 22 ASN B 199 VAL B 210 1 12 +HELIX 23 23 PHE B 212 LEU B 226 1 15 +HELIX 24 24 ALA B 241 ALA B 246 1 6 +HELIX 25 25 GLU B 247 THR B 277 1 31 +HELIX 26 26 GLY B 284 LYS B 296 1 13 +HELIX 27 27 THR B 297 ALA B 299 5 3 +HELIX 28 28 VAL B 300 ASN B 310 1 11 +HELIX 29 29 ASN B 310 CYS B 322 1 13 +SHEET 1 A 2 THR A 4 GLU A 5 0 +SHEET 2 A 2 TYR A 10 VAL A 11 -1 O VAL A 11 N THR A 4 +SHEET 1 B 2 ILE A 179 GLU A 181 0 +SHEET 2 B 2 SER A 186 GLY A 188 -1 O GLY A 188 N ILE A 179 +SHEET 1 C 2 THR B 4 GLU B 5 0 +SHEET 2 C 2 TYR B 10 VAL B 11 -1 O VAL B 11 N THR B 4 +SHEET 1 D 2 TYR B 178 GLU B 181 0 +SHEET 2 D 2 SER B 186 ILE B 189 -1 O GLY B 188 N ILE B 179 +SSBOND 1 CYS A 110 CYS A 187 1555 1555 2.02 +SSBOND 2 CYS B 110 CYS B 187 1555 1555 2.03 +LINK C ACE A 0 N MET A 1 1555 1555 1.35 +LINK ND2 ASN A 2 C1 NAG D 1 1555 1555 1.44 +LINK ND2 ASN A 15 C1 NAG C 1 1555 1555 1.45 +LINK NZ LYS A 296 C15 RET A1296 1555 1555 1.33 +LINK SG CYS A 322 C1 PLM A1322 1555 1555 1.86 +LINK SG CYS A 323 C1 PLM A1323 1555 1555 1.89 +LINK C ACE B 0 N MET B 1 1555 1555 1.35 +LINK ND2 ASN B 2 C1 NAG F 1 1555 1555 1.45 +LINK ND2 ASN B 15 C1 NAG E 1 1555 1555 1.44 +LINK NZ LYS B 296 C15 RET B1296 1555 1555 1.34 +LINK SG CYS B 322 C1 PLM B1322 1555 1555 1.89 +LINK SG CYS B 323 C1 PLM B1323 1555 1555 1.90 +LINK O4 NAG C 1 C1 NAG C 2 1555 1555 1.40 +LINK O4 NAG C 2 C1 MAN C 3 1555 1555 1.40 +LINK O4 NAG D 1 C1 NAG D 2 1555 1555 1.38 +LINK O4 NAG E 1 C1 NAG E 2 1555 1555 1.38 +LINK O4 NAG E 2 C1 BMA E 3 1555 1555 1.38 +LINK O3 BMA E 3 C1 BMA E 4 1555 1555 1.40 +LINK O4 NAG F 1 C1 NAG F 2 1555 1555 1.39 +LINK OE1 GLU A 122 ZN ZN A 962 1555 1555 2.61 +LINK NE1 TRP A 126 ZN ZN A 962 1555 1555 2.67 +LINK O MET A 163 ZN ZN A 962 1555 1555 2.67 +LINK NE2 HIS A 195 ZN ZN A2011 1555 1555 2.20 +LINK OE1 GLU A 197 ZN ZN A2011 1555 1555 2.41 +LINK OE1 GLU A 201 ZN ZN A 957 1555 1555 2.31 +LINK OE2 GLU A 201 ZN ZN A 957 1555 1555 2.00 +LINK ND1 HIS A 211 ZN ZN A 962 1555 1555 2.43 +LINK SG CYS A 222 HG HG A 903 1555 1555 2.35 +LINK SG CYS A 264 HG HG A 901 1555 1555 2.82 +LINK NE2 GLN A 279 ZN ZN A 957 1555 1555 1.72 +LINK OG1 THR A 297 HG HG A 901 1555 1555 3.08 +LINK NZ LYS A 311 ZN ZN A 959 1555 1555 1.83 +LINK O GLN A 312 HG HG A 905 1555 1555 3.17 +LINK SG CYS A 316 HG HG A 905 1555 1555 2.47 +LINK N ASP A 330 ZN ZN A 959 1555 1555 2.43 +LINK HG HG A 905 O HOH A2061 1555 1555 2.60 +LINK ND1 HIS B 65 HG HG B 906 1555 1555 2.72 +LINK NE1 TRP B 126 ZN ZN B 963 1555 1555 2.47 +LINK NE2 HIS B 195 ZN ZN B 956 1555 1555 2.06 +LINK OE1 GLU B 197 ZN ZN B 956 1555 1555 2.09 +LINK OE2 GLU B 201 ZN ZN B 958 1555 1555 2.15 +LINK OE1 GLU B 201 ZN ZN B 958 1555 1555 2.43 +LINK ND1 HIS B 211 ZN ZN B 963 1555 1555 2.44 +LINK SG CYS B 264 HG HG B 902 1555 1555 2.68 +LINK NE2 GLN B 279 ZN ZN B 958 1555 1555 1.85 +LINK SG CYS B 316 HG HG B 906 1555 1555 2.37 +LINK O THR B 336 HG HG B 906 1555 1555 2.05 +LINK O VAL B 337 HG HG B 906 1555 1555 1.99 +CRYST1 96.680 96.680 150.200 90.00 90.00 90.00 P 41 8 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.010343 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.010343 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.006658 0.00000 +HETATM 1 C ACE A 0 53.553 -7.050 35.606 1.00 47.40 C +HETATM 2 O ACE A 0 52.916 -7.860 34.934 1.00 46.96 O +HETATM 3 CH3 ACE A 0 54.727 -7.523 36.434 1.00 47.42 C +ATOM 4 N MET A 1 53.284 -5.731 35.670 1.00 47.11 N +ATOM 5 CA MET A 1 52.214 -5.077 34.913 1.00 46.26 C +ATOM 6 C MET A 1 52.674 -4.891 33.485 1.00 46.68 C +ATOM 7 O MET A 1 53.849 -4.563 33.283 1.00 46.86 O +ATOM 8 CB MET A 1 51.887 -3.719 35.536 1.00 45.60 C +ATOM 9 CG MET A 1 51.426 -3.792 36.982 1.00 44.48 C +ATOM 10 SD MET A 1 49.945 -4.797 37.183 1.00 46.06 S +ATOM 11 CE MET A 1 48.647 -3.745 36.534 1.00 43.77 C +ATOM 12 N ASN A 2 51.781 -5.083 32.508 1.00 46.50 N +ATOM 13 CA ASN A 2 52.150 -4.950 31.087 1.00 46.16 C +ATOM 14 C ASN A 2 52.395 -3.519 30.683 1.00 45.83 C +ATOM 15 O ASN A 2 53.065 -3.284 29.678 1.00 46.50 O +ATOM 16 CB ASN A 2 51.073 -5.523 30.174 1.00 46.63 C +ATOM 17 CG ASN A 2 50.985 -7.005 30.265 1.00 47.63 C +ATOM 18 OD1 ASN A 2 51.963 -7.709 30.034 1.00 46.09 O +ATOM 19 ND2 ASN A 2 49.803 -7.490 30.614 1.00 51.03 N +ATOM 20 N GLY A 3 51.852 -2.565 31.430 1.00 45.38 N +ATOM 21 CA GLY A 3 52.066 -1.173 31.079 1.00 44.72 C +ATOM 22 C GLY A 3 52.411 -0.330 32.284 1.00 44.42 C +ATOM 23 O GLY A 3 52.493 -0.830 33.401 1.00 45.22 O +ATOM 24 N THR A 4 52.612 0.959 32.058 1.00 43.92 N +ATOM 25 CA THR A 4 52.934 1.847 33.150 1.00 43.35 C +ATOM 26 C THR A 4 51.822 2.840 33.331 1.00 43.48 C +ATOM 27 O THR A 4 51.792 3.855 32.649 1.00 43.41 O +ATOM 28 CB THR A 4 54.234 2.605 32.893 1.00 43.38 C +ATOM 29 OG1 THR A 4 55.307 1.673 32.708 1.00 45.14 O +ATOM 30 CG2 THR A 4 54.550 3.501 34.066 1.00 42.82 C +ATOM 31 N GLU A 5 50.892 2.538 34.230 1.00 43.15 N +ATOM 32 CA GLU A 5 49.806 3.456 34.501 1.00 43.52 C +ATOM 33 C GLU A 5 50.366 4.630 35.284 1.00 43.43 C +ATOM 34 O GLU A 5 51.260 4.459 36.117 1.00 43.98 O +ATOM 35 CB GLU A 5 48.692 2.777 35.311 1.00 44.23 C +ATOM 36 CG GLU A 5 47.593 3.735 35.718 1.00 46.14 C +ATOM 37 CD GLU A 5 46.549 3.105 36.608 1.00 48.65 C +ATOM 38 OE1 GLU A 5 46.928 2.306 37.491 1.00 50.79 O +ATOM 39 OE2 GLU A 5 45.349 3.422 36.446 1.00 49.99 O +ATOM 40 N GLY A 6 49.862 5.825 34.990 1.00 43.73 N +ATOM 41 CA GLY A 6 50.272 7.030 35.685 1.00 42.34 C +ATOM 42 C GLY A 6 48.999 7.650 36.225 1.00 41.75 C +ATOM 43 O GLY A 6 47.890 7.161 35.969 1.00 41.59 O +ATOM 44 N PRO A 7 49.108 8.730 36.986 1.00 41.19 N +ATOM 45 CA PRO A 7 47.863 9.320 37.505 1.00 41.84 C +ATOM 46 C PRO A 7 47.119 10.088 36.431 1.00 42.55 C +ATOM 47 O PRO A 7 45.931 10.411 36.548 1.00 42.48 O +ATOM 48 CB PRO A 7 48.370 10.237 38.618 1.00 42.06 C +ATOM 49 CG PRO A 7 49.761 10.634 38.120 1.00 40.91 C +ATOM 50 CD PRO A 7 50.312 9.369 37.548 1.00 40.31 C +ATOM 51 N ASN A 8 47.841 10.286 35.344 1.00 43.66 N +ATOM 52 CA ASN A 8 47.426 11.107 34.234 1.00 43.35 C +ATOM 53 C ASN A 8 47.567 10.424 32.892 1.00 44.10 C +ATOM 54 O ASN A 8 47.100 10.977 31.880 1.00 43.87 O +ATOM 55 CB ASN A 8 48.379 12.268 34.238 1.00 43.81 C +ATOM 56 CG ASN A 8 47.731 13.509 33.908 1.00 45.93 C +ATOM 57 OD1 ASN A 8 48.398 14.520 33.753 1.00 48.91 O +ATOM 58 ND2 ASN A 8 46.399 13.482 33.800 1.00 47.02 N +ATOM 59 N PHE A 9 48.231 9.266 32.874 1.00 44.48 N +ATOM 60 CA PHE A 9 48.540 8.536 31.639 1.00 43.95 C +ATOM 61 C PHE A 9 48.580 7.025 31.835 1.00 44.36 C +ATOM 62 O PHE A 9 48.221 6.505 32.882 1.00 45.02 O +ATOM 63 CB PHE A 9 49.918 8.966 31.158 1.00 43.71 C +ATOM 64 CG PHE A 9 51.008 8.757 32.190 1.00 42.51 C +ATOM 65 CD1 PHE A 9 51.316 9.755 33.112 1.00 42.13 C +ATOM 66 CD2 PHE A 9 51.703 7.551 32.256 1.00 41.42 C +ATOM 67 CE1 PHE A 9 52.306 9.555 34.090 1.00 42.10 C +ATOM 68 CE2 PHE A 9 52.692 7.343 33.228 1.00 41.99 C +ATOM 69 CZ PHE A 9 52.993 8.348 34.146 1.00 41.06 C +ATOM 70 N TYR A 10 49.050 6.338 30.797 1.00 43.82 N +ATOM 71 CA TYR A 10 49.199 4.888 30.789 1.00 42.40 C +ATOM 72 C TYR A 10 50.099 4.537 29.625 1.00 41.15 C +ATOM 73 O TYR A 10 49.626 4.418 28.500 1.00 40.15 O +ATOM 74 CB TYR A 10 47.841 4.184 30.619 1.00 42.71 C +ATOM 75 CG TYR A 10 47.953 2.680 30.679 1.00 43.13 C +ATOM 76 CD1 TYR A 10 48.026 2.018 31.909 1.00 43.63 C +ATOM 77 CD2 TYR A 10 48.070 1.917 29.510 1.00 42.54 C +ATOM 78 CE1 TYR A 10 48.216 0.634 31.976 1.00 42.90 C +ATOM 79 CE2 TYR A 10 48.259 0.537 29.568 1.00 43.02 C +ATOM 80 CZ TYR A 10 48.330 -0.093 30.806 1.00 43.04 C +ATOM 81 OH TYR A 10 48.496 -1.451 30.889 1.00 44.88 O +ATOM 82 N VAL A 11 51.395 4.393 29.871 1.00 40.44 N +ATOM 83 CA VAL A 11 52.287 4.053 28.779 1.00 40.03 C +ATOM 84 C VAL A 11 52.197 2.565 28.521 1.00 40.67 C +ATOM 85 O VAL A 11 52.307 1.777 29.448 1.00 40.33 O +ATOM 86 CB VAL A 11 53.758 4.442 29.079 1.00 39.50 C +ATOM 87 CG1 VAL A 11 54.618 4.187 27.848 1.00 39.72 C +ATOM 88 CG2 VAL A 11 53.847 5.904 29.466 1.00 38.50 C +ATOM 89 N PRO A 12 51.963 2.171 27.257 1.00 41.71 N +ATOM 90 CA PRO A 12 51.848 0.771 26.838 1.00 42.42 C +ATOM 91 C PRO A 12 53.239 0.155 26.770 1.00 43.52 C +ATOM 92 O PRO A 12 53.647 -0.401 25.736 1.00 43.60 O +ATOM 93 CB PRO A 12 51.162 0.889 25.474 1.00 42.31 C +ATOM 94 CG PRO A 12 51.713 2.158 24.938 1.00 41.48 C +ATOM 95 CD PRO A 12 51.725 3.083 26.118 1.00 41.73 C +ATOM 96 N PHE A 13 53.950 0.261 27.891 1.00 44.30 N +ATOM 97 CA PHE A 13 55.333 -0.212 28.016 1.00 45.02 C +ATOM 98 C PHE A 13 55.626 -0.516 29.474 1.00 45.44 C +ATOM 99 O PHE A 13 55.219 0.232 30.362 1.00 45.49 O +ATOM 100 CB PHE A 13 56.288 0.887 27.537 1.00 45.01 C +ATOM 101 CG PHE A 13 57.681 0.418 27.230 1.00 44.78 C +ATOM 102 CD1 PHE A 13 57.982 -0.149 25.984 1.00 44.85 C +ATOM 103 CD2 PHE A 13 58.708 0.603 28.151 1.00 44.32 C +ATOM 104 CE1 PHE A 13 59.290 -0.516 25.652 1.00 44.22 C +ATOM 105 CE2 PHE A 13 60.016 0.241 27.835 1.00 44.63 C +ATOM 106 CZ PHE A 13 60.311 -0.319 26.581 1.00 44.72 C +ATOM 107 N SER A 14 56.354 -1.599 29.707 1.00 46.54 N +ATOM 108 CA SER A 14 56.692 -2.019 31.054 1.00 48.31 C +ATOM 109 C SER A 14 57.785 -1.128 31.617 1.00 49.77 C +ATOM 110 O SER A 14 58.592 -0.602 30.850 1.00 50.78 O +ATOM 111 CB SER A 14 57.167 -3.471 31.024 1.00 48.20 C +ATOM 112 OG SER A 14 57.246 -4.016 32.331 1.00 49.87 O +ATOM 113 N ASN A 15 57.810 -0.956 32.939 1.00 50.94 N +ATOM 114 CA ASN A 15 58.832 -0.135 33.587 1.00 51.08 C +ATOM 115 C ASN A 15 59.731 -1.029 34.442 1.00 52.19 C +ATOM 116 O ASN A 15 60.247 -0.577 35.471 1.00 51.78 O +ATOM 117 CB ASN A 15 58.179 0.945 34.454 1.00 49.76 C +ATOM 118 CG ASN A 15 59.129 2.060 34.782 1.00 48.97 C +ATOM 119 OD1 ASN A 15 59.832 2.525 33.907 1.00 48.34 O +ATOM 120 ND2 ASN A 15 59.162 2.507 36.028 1.00 49.20 N +ATOM 121 N LYS A 16 59.905 -2.287 34.011 1.00 54.04 N +ATOM 122 CA LYS A 16 60.736 -3.271 34.718 1.00 54.63 C +ATOM 123 C LYS A 16 62.155 -2.805 34.704 1.00 53.69 C +ATOM 124 O LYS A 16 62.926 -3.142 35.605 1.00 54.46 O +ATOM 125 CB LYS A 16 60.673 -4.654 34.057 1.00 56.68 C +ATOM 126 CG LYS A 16 61.525 -5.686 34.800 1.00 59.57 C +ATOM 127 CD LYS A 16 61.731 -7.015 34.055 1.00 62.10 C +ATOM 128 CE LYS A 16 62.625 -7.964 34.882 1.00 63.44 C +ATOM 129 NZ LYS A 16 62.719 -9.361 34.344 1.00 65.65 N +ATOM 130 N THR A 17 62.505 -2.039 33.681 1.00 53.00 N +ATOM 131 CA THR A 17 63.848 -1.499 33.561 1.00 52.95 C +ATOM 132 C THR A 17 63.832 -0.043 33.975 1.00 53.31 C +ATOM 133 O THR A 17 64.803 0.688 33.740 1.00 53.66 O +ATOM 134 CB THR A 17 64.328 -1.586 32.141 1.00 52.62 C +ATOM 135 OG1 THR A 17 63.554 -0.691 31.322 1.00 52.87 O +ATOM 136 CG2 THR A 17 64.176 -3.017 31.650 1.00 51.94 C +ATOM 137 N GLY A 18 62.723 0.374 34.580 1.00 53.38 N +ATOM 138 CA GLY A 18 62.572 1.744 35.044 1.00 52.55 C +ATOM 139 C GLY A 18 62.947 2.804 34.031 1.00 51.61 C +ATOM 140 O GLY A 18 63.367 3.885 34.408 1.00 52.42 O +ATOM 141 N VAL A 19 62.776 2.495 32.750 1.00 49.71 N +ATOM 142 CA VAL A 19 63.112 3.416 31.681 1.00 48.40 C +ATOM 143 C VAL A 19 61.884 4.252 31.278 1.00 47.06 C +ATOM 144 O VAL A 19 62.037 5.215 30.556 1.00 47.82 O +ATOM 145 CB VAL A 19 63.685 2.624 30.456 1.00 48.02 C +ATOM 146 CG1 VAL A 19 62.599 1.837 29.786 1.00 48.55 C +ATOM 147 CG2 VAL A 19 64.329 3.553 29.470 1.00 49.03 C +ATOM 148 N VAL A 20 60.694 3.915 31.768 1.00 45.15 N +ATOM 149 CA VAL A 20 59.478 4.646 31.398 1.00 43.79 C +ATOM 150 C VAL A 20 59.423 6.007 32.066 1.00 44.16 C +ATOM 151 O VAL A 20 59.819 6.127 33.209 1.00 44.75 O +ATOM 152 CB VAL A 20 58.205 3.833 31.756 1.00 43.31 C +ATOM 153 CG1 VAL A 20 56.961 4.658 31.467 1.00 42.50 C +ATOM 154 CG2 VAL A 20 58.164 2.530 30.955 1.00 42.41 C +ATOM 155 N ARG A 21 58.911 7.015 31.352 1.00 44.75 N +ATOM 156 CA ARG A 21 58.828 8.402 31.848 1.00 44.75 C +ATOM 157 C ARG A 21 57.547 9.106 31.407 1.00 42.99 C +ATOM 158 O ARG A 21 57.187 8.988 30.241 1.00 42.68 O +ATOM 159 CB ARG A 21 60.010 9.191 31.307 1.00 46.93 C +ATOM 160 CG ARG A 21 61.353 8.607 31.683 1.00 51.12 C +ATOM 161 CD ARG A 21 62.197 9.698 32.291 1.00 54.40 C +ATOM 162 NE ARG A 21 61.432 10.420 33.309 1.00 57.11 N +ATOM 163 CZ ARG A 21 61.717 11.653 33.734 1.00 58.83 C +ATOM 164 NH1 ARG A 21 62.763 12.312 33.223 1.00 59.50 N +ATOM 165 NH2 ARG A 21 60.949 12.233 34.666 1.00 59.07 N +ATOM 166 N SER A 22 56.903 9.862 32.305 1.00 41.77 N +ATOM 167 CA SER A 22 55.651 10.597 32.008 1.00 41.01 C +ATOM 168 C SER A 22 55.704 11.282 30.658 1.00 40.64 C +ATOM 169 O SER A 22 56.594 12.087 30.430 1.00 41.06 O +ATOM 170 CB SER A 22 55.389 11.662 33.072 1.00 41.13 C +ATOM 171 OG SER A 22 54.229 12.418 32.757 1.00 42.28 O +ATOM 172 N PRO A 23 54.732 11.009 29.760 1.00 40.80 N +ATOM 173 CA PRO A 23 54.726 11.630 28.430 1.00 40.56 C +ATOM 174 C PRO A 23 54.341 13.082 28.483 1.00 41.56 C +ATOM 175 O PRO A 23 54.016 13.667 27.469 1.00 43.00 O +ATOM 176 CB PRO A 23 53.735 10.777 27.663 1.00 39.64 C +ATOM 177 CG PRO A 23 52.723 10.464 28.702 1.00 38.93 C +ATOM 178 CD PRO A 23 53.532 10.174 29.948 1.00 39.84 C +ATOM 179 N PHE A 24 54.360 13.647 29.686 1.00 42.39 N +ATOM 180 CA PHE A 24 54.078 15.063 29.913 1.00 42.72 C +ATOM 181 C PHE A 24 55.315 15.645 30.541 1.00 44.07 C +ATOM 182 O PHE A 24 55.250 16.738 31.071 1.00 45.15 O +ATOM 183 CB PHE A 24 52.938 15.260 30.909 1.00 41.45 C +ATOM 184 CG PHE A 24 51.590 14.858 30.397 1.00 40.52 C +ATOM 185 CD1 PHE A 24 51.072 15.428 29.239 1.00 39.67 C +ATOM 186 CD2 PHE A 24 50.818 13.943 31.102 1.00 39.26 C +ATOM 187 CE1 PHE A 24 49.808 15.099 28.794 1.00 39.12 C +ATOM 188 CE2 PHE A 24 49.552 13.605 30.665 1.00 38.85 C +ATOM 189 CZ PHE A 24 49.046 14.186 29.508 1.00 39.03 C +ATOM 190 N GLU A 25 56.429 14.918 30.486 1.00 44.94 N +ATOM 191 CA GLU A 25 57.647 15.378 31.113 1.00 45.77 C +ATOM 192 C GLU A 25 58.918 14.995 30.361 1.00 45.53 C +ATOM 193 O GLU A 25 59.924 15.683 30.529 1.00 46.05 O +ATOM 194 CB GLU A 25 57.708 14.825 32.526 1.00 48.16 C +ATOM 195 CG GLU A 25 56.917 15.584 33.548 1.00 52.84 C +ATOM 196 CD GLU A 25 56.531 14.693 34.719 1.00 57.72 C +ATOM 197 OE1 GLU A 25 57.301 13.750 35.062 1.00 59.35 O +ATOM 198 OE2 GLU A 25 55.446 14.935 35.303 1.00 60.82 O +ATOM 199 N ALA A 26 58.924 13.930 29.564 1.00 44.99 N +ATOM 200 CA ALA A 26 60.165 13.571 28.858 1.00 44.91 C +ATOM 201 C ALA A 26 59.896 12.837 27.550 1.00 44.95 C +ATOM 202 O ALA A 26 58.817 12.291 27.380 1.00 45.80 O +ATOM 203 CB ALA A 26 61.046 12.712 29.765 1.00 44.63 C +ATOM 204 N PRO A 27 60.866 12.836 26.606 1.00 44.41 N +ATOM 205 CA PRO A 27 60.715 12.152 25.320 1.00 44.33 C +ATOM 206 C PRO A 27 60.406 10.708 25.576 1.00 44.85 C +ATOM 207 O PRO A 27 60.808 10.194 26.609 1.00 45.98 O +ATOM 208 CB PRO A 27 62.080 12.331 24.674 1.00 43.15 C +ATOM 209 CG PRO A 27 62.468 13.651 25.137 1.00 42.69 C +ATOM 210 CD PRO A 27 62.109 13.619 26.604 1.00 43.52 C +ATOM 211 N GLN A 28 59.715 10.059 24.641 1.00 45.43 N +ATOM 212 CA GLN A 28 59.331 8.658 24.776 1.00 45.56 C +ATOM 213 C GLN A 28 60.120 7.781 23.799 1.00 46.39 C +ATOM 214 O GLN A 28 59.625 6.738 23.392 1.00 46.18 O +ATOM 215 CB GLN A 28 57.828 8.535 24.505 1.00 44.55 C +ATOM 216 CG GLN A 28 56.966 9.492 25.319 1.00 43.69 C +ATOM 217 CD GLN A 28 56.926 9.146 26.804 1.00 44.58 C +ATOM 218 OE1 GLN A 28 56.602 8.027 27.172 1.00 46.04 O +ATOM 219 NE2 GLN A 28 57.247 10.108 27.660 1.00 44.47 N +ATOM 220 N TYR A 29 61.344 8.173 23.459 1.00 47.80 N +ATOM 221 CA TYR A 29 62.138 7.425 22.485 1.00 49.27 C +ATOM 222 C TYR A 29 62.484 6.064 22.939 1.00 49.23 C +ATOM 223 O TYR A 29 63.082 5.310 22.189 1.00 50.24 O +ATOM 224 CB TYR A 29 63.405 8.189 22.124 1.00 50.88 C +ATOM 225 CG TYR A 29 63.067 9.537 21.556 1.00 52.45 C +ATOM 226 CD1 TYR A 29 61.981 9.687 20.703 1.00 53.03 C +ATOM 227 CD2 TYR A 29 63.785 10.669 21.913 1.00 53.07 C +ATOM 228 CE1 TYR A 29 61.609 10.919 20.227 1.00 53.77 C +ATOM 229 CE2 TYR A 29 63.422 11.917 21.435 1.00 54.32 C +ATOM 230 CZ TYR A 29 62.330 12.036 20.592 1.00 54.49 C +ATOM 231 OH TYR A 29 61.960 13.271 20.101 1.00 55.76 O +ATOM 232 N TYR A 30 62.125 5.725 24.159 1.00 48.54 N +ATOM 233 CA TYR A 30 62.433 4.402 24.617 1.00 48.23 C +ATOM 234 C TYR A 30 61.305 3.496 24.187 1.00 48.90 C +ATOM 235 O TYR A 30 61.389 2.304 24.393 1.00 50.63 O +ATOM 236 CB TYR A 30 62.600 4.419 26.136 1.00 47.12 C +ATOM 237 CG TYR A 30 61.363 4.854 26.851 1.00 45.37 C +ATOM 238 CD1 TYR A 30 60.302 3.979 27.005 1.00 45.53 C +ATOM 239 CD2 TYR A 30 61.223 6.153 27.324 1.00 45.07 C +ATOM 240 CE1 TYR A 30 59.129 4.378 27.603 1.00 45.82 C +ATOM 241 CE2 TYR A 30 60.041 6.569 27.936 1.00 44.88 C +ATOM 242 CZ TYR A 30 58.999 5.666 28.066 1.00 45.10 C +ATOM 243 OH TYR A 30 57.805 6.014 28.647 1.00 45.98 O +ATOM 244 N LEU A 31 60.262 4.072 23.589 1.00 49.37 N +ATOM 245 CA LEU A 31 59.087 3.329 23.116 1.00 49.46 C +ATOM 246 C LEU A 31 59.256 2.971 21.676 1.00 50.18 C +ATOM 247 O LEU A 31 58.658 2.005 21.199 1.00 50.31 O +ATOM 248 CB LEU A 31 57.832 4.188 23.165 1.00 48.71 C +ATOM 249 CG LEU A 31 57.191 4.654 24.449 1.00 47.86 C +ATOM 250 CD1 LEU A 31 55.960 5.418 24.083 1.00 48.50 C +ATOM 251 CD2 LEU A 31 56.826 3.480 25.315 1.00 49.10 C +ATOM 252 N ALA A 32 60.037 3.786 20.978 1.00 51.31 N +ATOM 253 CA ALA A 32 60.261 3.617 19.558 1.00 52.13 C +ATOM 254 C ALA A 32 61.471 4.419 19.137 1.00 52.81 C +ATOM 255 O ALA A 32 61.936 5.278 19.885 1.00 53.90 O +ATOM 256 CB ALA A 32 59.030 4.098 18.803 1.00 52.26 C +ATOM 257 N GLU A 33 61.964 4.152 17.932 1.00 53.21 N +ATOM 258 CA GLU A 33 63.119 4.851 17.385 1.00 53.37 C +ATOM 259 C GLU A 33 62.800 6.314 17.187 1.00 53.01 C +ATOM 260 O GLU A 33 61.661 6.665 16.872 1.00 53.66 O +ATOM 261 CB GLU A 33 63.494 4.241 16.045 1.00 55.32 C +ATOM 262 CG GLU A 33 63.499 2.755 16.104 1.00 60.15 C +ATOM 263 CD GLU A 33 64.373 2.274 17.232 1.00 63.21 C +ATOM 264 OE1 GLU A 33 65.610 2.358 17.067 1.00 65.05 O +ATOM 265 OE2 GLU A 33 63.833 1.838 18.285 1.00 65.24 O +ATOM 266 N PRO A 34 63.793 7.197 17.374 1.00 52.11 N +ATOM 267 CA PRO A 34 63.543 8.626 17.189 1.00 51.15 C +ATOM 268 C PRO A 34 63.112 9.007 15.777 1.00 51.04 C +ATOM 269 O PRO A 34 62.327 9.949 15.614 1.00 52.47 O +ATOM 270 CB PRO A 34 64.869 9.251 17.599 1.00 50.49 C +ATOM 271 CG PRO A 34 65.290 8.358 18.716 1.00 50.93 C +ATOM 272 CD PRO A 34 65.045 6.987 18.127 1.00 51.49 C +ATOM 273 N TRP A 35 63.589 8.287 14.765 1.00 50.33 N +ATOM 274 CA TRP A 35 63.213 8.603 13.389 1.00 49.69 C +ATOM 275 C TRP A 35 61.724 8.407 13.166 1.00 49.03 C +ATOM 276 O TRP A 35 61.135 9.090 12.330 1.00 49.88 O +ATOM 277 CB TRP A 35 63.991 7.742 12.390 1.00 50.26 C +ATOM 278 CG TRP A 35 63.684 6.279 12.420 1.00 49.95 C +ATOM 279 CD1 TRP A 35 64.343 5.317 13.124 1.00 50.75 C +ATOM 280 CD2 TRP A 35 62.660 5.605 11.681 1.00 50.07 C +ATOM 281 NE1 TRP A 35 63.798 4.078 12.866 1.00 50.41 N +ATOM 282 CE2 TRP A 35 62.763 4.229 11.983 1.00 49.98 C +ATOM 283 CE3 TRP A 35 61.668 6.030 10.792 1.00 50.78 C +ATOM 284 CZ2 TRP A 35 61.914 3.277 11.428 1.00 50.01 C +ATOM 285 CZ3 TRP A 35 60.822 5.082 10.240 1.00 50.53 C +ATOM 286 CH2 TRP A 35 60.951 3.721 10.560 1.00 50.23 C +ATOM 287 N GLN A 36 61.123 7.482 13.904 1.00 47.39 N +ATOM 288 CA GLN A 36 59.707 7.207 13.778 1.00 45.84 C +ATOM 289 C GLN A 36 58.915 8.385 14.301 1.00 44.09 C +ATOM 290 O GLN A 36 57.848 8.663 13.803 1.00 43.39 O +ATOM 291 CB GLN A 36 59.390 5.919 14.526 1.00 47.26 C +ATOM 292 CG GLN A 36 60.213 4.738 13.997 1.00 49.06 C +ATOM 293 CD GLN A 36 59.927 3.422 14.708 1.00 50.37 C +ATOM 294 OE1 GLN A 36 60.240 3.254 15.883 1.00 51.24 O +ATOM 295 NE2 GLN A 36 59.327 2.480 13.985 1.00 51.74 N +ATOM 296 N PHE A 37 59.426 9.088 15.296 1.00 42.51 N +ATOM 297 CA PHE A 37 58.703 10.249 15.755 1.00 41.69 C +ATOM 298 C PHE A 37 58.813 11.294 14.690 1.00 42.67 C +ATOM 299 O PHE A 37 57.878 12.051 14.491 1.00 43.09 O +ATOM 300 CB PHE A 37 59.285 10.795 17.038 1.00 41.03 C +ATOM 301 CG PHE A 37 58.918 10.006 18.239 1.00 40.89 C +ATOM 302 CD1 PHE A 37 59.589 8.841 18.553 1.00 42.12 C +ATOM 303 CD2 PHE A 37 57.881 10.413 19.053 1.00 40.26 C +ATOM 304 CE1 PHE A 37 59.228 8.093 19.664 1.00 41.77 C +ATOM 305 CE2 PHE A 37 57.515 9.676 20.159 1.00 40.28 C +ATOM 306 CZ PHE A 37 58.186 8.519 20.466 1.00 41.93 C +ATOM 307 N SER A 38 59.958 11.336 14.007 1.00 43.24 N +ATOM 308 CA SER A 38 60.202 12.297 12.924 1.00 43.83 C +ATOM 309 C SER A 38 59.207 12.064 11.819 1.00 44.03 C +ATOM 310 O SER A 38 58.798 12.997 11.127 1.00 43.65 O +ATOM 311 CB SER A 38 61.613 12.116 12.372 1.00 44.42 C +ATOM 312 OG SER A 38 62.578 12.342 13.381 1.00 45.67 O +ATOM 313 N MET A 39 58.852 10.797 11.652 1.00 44.42 N +ATOM 314 CA MET A 39 57.880 10.365 10.672 1.00 45.11 C +ATOM 315 C MET A 39 56.569 11.008 11.016 1.00 43.72 C +ATOM 316 O MET A 39 55.965 11.657 10.169 1.00 43.83 O +ATOM 317 CB MET A 39 57.726 8.857 10.749 1.00 49.83 C +ATOM 318 CG MET A 39 58.821 8.082 10.078 1.00 55.09 C +ATOM 319 SD MET A 39 58.428 7.998 8.334 1.00 64.91 S +ATOM 320 CE MET A 39 59.203 9.645 7.679 1.00 61.65 C +ATOM 321 N LEU A 40 56.126 10.812 12.256 1.00 41.69 N +ATOM 322 CA LEU A 40 54.883 11.397 12.726 1.00 39.43 C +ATOM 323 C LEU A 40 54.941 12.869 12.486 1.00 39.28 C +ATOM 324 O LEU A 40 53.994 13.427 11.947 1.00 39.74 O +ATOM 325 CB LEU A 40 54.710 11.156 14.218 1.00 38.47 C +ATOM 326 CG LEU A 40 54.629 9.703 14.663 1.00 37.65 C +ATOM 327 CD1 LEU A 40 54.509 9.621 16.174 1.00 36.12 C +ATOM 328 CD2 LEU A 40 53.443 9.071 13.996 1.00 36.72 C +ATOM 329 N ALA A 41 56.058 13.490 12.869 1.00 38.51 N +ATOM 330 CA ALA A 41 56.248 14.930 12.709 1.00 38.38 C +ATOM 331 C ALA A 41 56.185 15.316 11.245 1.00 38.70 C +ATOM 332 O ALA A 41 55.431 16.217 10.886 1.00 39.91 O +ATOM 333 CB ALA A 41 57.568 15.358 13.316 1.00 37.42 C +ATOM 334 N ALA A 42 56.970 14.655 10.401 1.00 38.10 N +ATOM 335 CA ALA A 42 56.963 14.953 8.971 1.00 37.99 C +ATOM 336 C ALA A 42 55.532 14.826 8.451 1.00 38.10 C +ATOM 337 O ALA A 42 55.035 15.692 7.747 1.00 38.96 O +ATOM 338 CB ALA A 42 57.867 13.978 8.243 1.00 37.25 C +ATOM 339 N TYR A 43 54.882 13.732 8.821 1.00 38.21 N +ATOM 340 CA TYR A 43 53.511 13.441 8.435 1.00 38.19 C +ATOM 341 C TYR A 43 52.536 14.547 8.875 1.00 39.26 C +ATOM 342 O TYR A 43 51.799 15.103 8.040 1.00 39.81 O +ATOM 343 CB TYR A 43 53.117 12.121 9.067 1.00 36.82 C +ATOM 344 CG TYR A 43 51.668 11.756 8.935 1.00 35.03 C +ATOM 345 CD1 TYR A 43 51.130 11.391 7.712 1.00 35.25 C +ATOM 346 CD2 TYR A 43 50.857 11.683 10.058 1.00 35.02 C +ATOM 347 CE1 TYR A 43 49.820 10.941 7.616 1.00 35.63 C +ATOM 348 CE2 TYR A 43 49.551 11.243 9.982 1.00 35.31 C +ATOM 349 CZ TYR A 43 49.039 10.862 8.762 1.00 36.38 C +ATOM 350 OH TYR A 43 47.766 10.328 8.707 1.00 38.88 O +ATOM 351 N MET A 44 52.507 14.863 10.169 1.00 39.54 N +ATOM 352 CA MET A 44 51.590 15.896 10.653 1.00 39.27 C +ATOM 353 C MET A 44 51.838 17.168 9.921 1.00 40.04 C +ATOM 354 O MET A 44 50.926 17.948 9.709 1.00 39.78 O +ATOM 355 CB MET A 44 51.761 16.131 12.150 1.00 38.24 C +ATOM 356 CG MET A 44 51.219 15.010 13.012 1.00 39.39 C +ATOM 357 SD MET A 44 49.615 14.319 12.414 1.00 42.50 S +ATOM 358 CE MET A 44 48.565 15.793 12.245 1.00 40.90 C +ATOM 359 N PHE A 45 53.083 17.379 9.532 1.00 40.44 N +ATOM 360 CA PHE A 45 53.430 18.575 8.820 1.00 41.68 C +ATOM 361 C PHE A 45 52.747 18.605 7.457 1.00 42.48 C +ATOM 362 O PHE A 45 52.119 19.616 7.119 1.00 42.51 O +ATOM 363 CB PHE A 45 54.938 18.646 8.638 1.00 43.09 C +ATOM 364 CG PHE A 45 55.374 19.750 7.720 1.00 44.36 C +ATOM 365 CD1 PHE A 45 55.552 21.035 8.197 1.00 45.21 C +ATOM 366 CD2 PHE A 45 55.553 19.511 6.357 1.00 45.08 C +ATOM 367 CE1 PHE A 45 55.899 22.066 7.334 1.00 46.18 C +ATOM 368 CE2 PHE A 45 55.900 20.538 5.485 1.00 45.37 C +ATOM 369 CZ PHE A 45 56.073 21.815 5.970 1.00 45.74 C +ATOM 370 N LEU A 46 52.872 17.524 6.679 1.00 42.88 N +ATOM 371 CA LEU A 46 52.277 17.452 5.333 1.00 43.04 C +ATOM 372 C LEU A 46 50.786 17.547 5.395 1.00 43.92 C +ATOM 373 O LEU A 46 50.198 18.142 4.495 1.00 45.21 O +ATOM 374 CB LEU A 46 52.652 16.157 4.628 1.00 42.25 C +ATOM 375 CG LEU A 46 54.142 15.948 4.372 1.00 41.88 C +ATOM 376 CD1 LEU A 46 54.372 14.584 3.706 1.00 40.66 C +ATOM 377 CD2 LEU A 46 54.659 17.091 3.513 1.00 41.13 C +ATOM 378 N LEU A 47 50.172 16.953 6.425 1.00 44.06 N +ATOM 379 CA LEU A 47 48.713 17.013 6.612 1.00 43.95 C +ATOM 380 C LEU A 47 48.253 18.466 6.861 1.00 44.22 C +ATOM 381 O LEU A 47 47.184 18.866 6.406 1.00 44.58 O +ATOM 382 CB LEU A 47 48.273 16.162 7.815 1.00 43.00 C +ATOM 383 CG LEU A 47 47.751 14.736 7.677 1.00 41.74 C +ATOM 384 CD1 LEU A 47 47.138 14.306 9.018 1.00 41.03 C +ATOM 385 CD2 LEU A 47 46.702 14.664 6.591 1.00 41.45 C +ATOM 386 N ILE A 48 49.035 19.242 7.603 1.00 44.86 N +ATOM 387 CA ILE A 48 48.662 20.616 7.875 1.00 45.04 C +ATOM 388 C ILE A 48 48.820 21.416 6.613 1.00 45.85 C +ATOM 389 O ILE A 48 48.043 22.320 6.372 1.00 46.88 O +ATOM 390 CB ILE A 48 49.530 21.215 8.998 1.00 44.97 C +ATOM 391 CG1 ILE A 48 49.202 20.514 10.317 1.00 45.10 C +ATOM 392 CG2 ILE A 48 49.287 22.706 9.109 1.00 43.90 C +ATOM 393 CD1 ILE A 48 50.081 20.897 11.472 1.00 44.94 C +ATOM 394 N MET A 49 49.799 21.064 5.791 1.00 46.45 N +ATOM 395 CA MET A 49 50.048 21.782 4.544 1.00 47.22 C +ATOM 396 C MET A 49 48.975 21.500 3.491 1.00 46.97 C +ATOM 397 O MET A 49 48.766 22.319 2.593 1.00 46.84 O +ATOM 398 CB MET A 49 51.426 21.407 4.012 1.00 48.66 C +ATOM 399 CG MET A 49 51.777 22.105 2.744 1.00 50.95 C +ATOM 400 SD MET A 49 53.529 22.137 2.566 1.00 55.48 S +ATOM 401 CE MET A 49 53.893 23.393 3.818 1.00 55.02 C +ATOM 402 N LEU A 50 48.315 20.351 3.595 1.00 46.90 N +ATOM 403 CA LEU A 50 47.246 19.952 2.673 1.00 46.07 C +ATOM 404 C LEU A 50 45.904 20.379 3.223 1.00 45.63 C +ATOM 405 O LEU A 50 45.088 20.933 2.507 1.00 45.93 O +ATOM 406 CB LEU A 50 47.220 18.436 2.515 1.00 46.86 C +ATOM 407 CG LEU A 50 47.988 17.804 1.370 1.00 47.61 C +ATOM 408 CD1 LEU A 50 48.027 16.299 1.554 1.00 47.21 C +ATOM 409 CD2 LEU A 50 47.311 18.196 0.064 1.00 48.87 C +ATOM 410 N GLY A 51 45.691 20.102 4.505 1.00 45.22 N +ATOM 411 CA GLY A 51 44.435 20.420 5.156 1.00 44.90 C +ATOM 412 C GLY A 51 44.049 21.871 5.256 1.00 44.75 C +ATOM 413 O GLY A 51 42.870 22.199 5.207 1.00 44.76 O +ATOM 414 N PHE A 52 45.032 22.746 5.412 1.00 45.13 N +ATOM 415 CA PHE A 52 44.713 24.152 5.517 1.00 45.65 C +ATOM 416 C PHE A 52 44.201 24.678 4.186 1.00 45.91 C +ATOM 417 O PHE A 52 43.029 25.083 4.107 1.00 45.90 O +ATOM 418 CB PHE A 52 45.916 24.974 5.976 1.00 46.43 C +ATOM 419 CG PHE A 52 45.694 26.449 5.846 1.00 48.61 C +ATOM 420 CD1 PHE A 52 44.473 27.017 6.255 1.00 49.02 C +ATOM 421 CD2 PHE A 52 46.650 27.264 5.240 1.00 49.50 C +ATOM 422 CE1 PHE A 52 44.200 28.375 6.053 1.00 49.51 C +ATOM 423 CE2 PHE A 52 46.388 28.628 5.031 1.00 50.33 C +ATOM 424 CZ PHE A 52 45.155 29.182 5.438 1.00 49.77 C +ATOM 425 N PRO A 53 45.045 24.669 3.123 1.00 45.76 N +ATOM 426 CA PRO A 53 44.569 25.176 1.829 1.00 45.16 C +ATOM 427 C PRO A 53 43.280 24.546 1.317 1.00 45.13 C +ATOM 428 O PRO A 53 42.361 25.270 0.954 1.00 46.49 O +ATOM 429 CB PRO A 53 45.765 24.937 0.894 1.00 44.98 C +ATOM 430 CG PRO A 53 46.507 23.808 1.528 1.00 44.93 C +ATOM 431 CD PRO A 53 46.424 24.155 3.000 1.00 45.16 C +ATOM 432 N ILE A 54 43.195 23.220 1.313 1.00 44.04 N +ATOM 433 CA ILE A 54 42.011 22.517 0.810 1.00 42.97 C +ATOM 434 C ILE A 54 40.750 22.872 1.563 1.00 42.53 C +ATOM 435 O ILE A 54 39.717 23.037 0.949 1.00 41.95 O +ATOM 436 CB ILE A 54 42.215 20.968 0.850 1.00 43.05 C +ATOM 437 CG1 ILE A 54 43.234 20.555 -0.226 1.00 44.10 C +ATOM 438 CG2 ILE A 54 40.887 20.264 0.639 1.00 42.79 C +ATOM 439 CD1 ILE A 54 43.793 19.149 -0.115 1.00 43.42 C +ATOM 440 N ASN A 55 40.829 22.991 2.881 1.00 42.93 N +ATOM 441 CA ASN A 55 39.651 23.294 3.669 1.00 43.96 C +ATOM 442 C ASN A 55 39.294 24.752 3.612 1.00 44.87 C +ATOM 443 O ASN A 55 38.102 25.083 3.615 1.00 44.95 O +ATOM 444 CB ASN A 55 39.861 22.838 5.108 1.00 43.31 C +ATOM 445 CG ASN A 55 39.597 21.357 5.282 1.00 43.14 C +ATOM 446 OD1 ASN A 55 38.467 20.899 5.108 1.00 43.36 O +ATOM 447 ND2 ASN A 55 40.635 20.597 5.613 1.00 42.94 N +ATOM 448 N PHE A 56 40.295 25.627 3.561 1.00 45.63 N +ATOM 449 CA PHE A 56 40.019 27.058 3.489 1.00 46.70 C +ATOM 450 C PHE A 56 39.431 27.412 2.119 1.00 47.32 C +ATOM 451 O PHE A 56 38.491 28.211 2.036 1.00 47.65 O +ATOM 452 CB PHE A 56 41.286 27.886 3.718 1.00 46.89 C +ATOM 453 CG PHE A 56 41.034 29.359 3.661 1.00 47.40 C +ATOM 454 CD1 PHE A 56 40.389 30.008 4.713 1.00 48.11 C +ATOM 455 CD2 PHE A 56 41.328 30.088 2.507 1.00 47.41 C +ATOM 456 CE1 PHE A 56 40.034 31.362 4.610 1.00 47.76 C +ATOM 457 CE2 PHE A 56 40.972 31.447 2.395 1.00 46.49 C +ATOM 458 CZ PHE A 56 40.327 32.079 3.441 1.00 47.16 C +ATOM 459 N LEU A 57 39.993 26.829 1.062 1.00 47.21 N +ATOM 460 CA LEU A 57 39.537 27.053 -0.310 1.00 47.39 C +ATOM 461 C LEU A 57 38.080 26.645 -0.409 1.00 47.92 C +ATOM 462 O LEU A 57 37.267 27.389 -0.923 1.00 49.30 O +ATOM 463 CB LEU A 57 40.369 26.204 -1.265 1.00 47.19 C +ATOM 464 CG LEU A 57 40.606 26.676 -2.686 1.00 46.88 C +ATOM 465 CD1 LEU A 57 40.678 25.449 -3.565 1.00 48.01 C +ATOM 466 CD2 LEU A 57 39.489 27.589 -3.143 1.00 47.33 C +ATOM 467 N THR A 58 37.766 25.453 0.087 1.00 47.99 N +ATOM 468 CA THR A 58 36.406 24.912 0.098 1.00 47.06 C +ATOM 469 C THR A 58 35.471 25.905 0.742 1.00 47.93 C +ATOM 470 O THR A 58 34.384 26.186 0.245 1.00 48.07 O +ATOM 471 CB THR A 58 36.339 23.643 0.937 1.00 46.49 C +ATOM 472 OG1 THR A 58 37.081 22.602 0.300 1.00 45.36 O +ATOM 473 CG2 THR A 58 34.902 23.217 1.130 1.00 46.10 C +ATOM 474 N LEU A 59 35.908 26.411 1.881 1.00 49.29 N +ATOM 475 CA LEU A 59 35.161 27.379 2.658 1.00 50.60 C +ATOM 476 C LEU A 59 34.949 28.671 1.868 1.00 51.13 C +ATOM 477 O LEU A 59 33.832 29.172 1.789 1.00 50.82 O +ATOM 478 CB LEU A 59 35.945 27.650 3.935 1.00 51.06 C +ATOM 479 CG LEU A 59 35.625 28.919 4.703 1.00 51.08 C +ATOM 480 CD1 LEU A 59 34.196 28.872 5.209 1.00 51.10 C +ATOM 481 CD2 LEU A 59 36.621 29.034 5.848 1.00 51.43 C +ATOM 482 N TYR A 60 36.022 29.192 1.282 1.00 51.69 N +ATOM 483 CA TYR A 60 35.964 30.433 0.521 1.00 51.92 C +ATOM 484 C TYR A 60 35.049 30.292 -0.682 1.00 51.11 C +ATOM 485 O TYR A 60 34.232 31.165 -0.936 1.00 51.40 O +ATOM 486 CB TYR A 60 37.379 30.824 0.086 1.00 53.48 C +ATOM 487 CG TYR A 60 37.521 32.209 -0.511 1.00 55.64 C +ATOM 488 CD1 TYR A 60 37.026 32.502 -1.783 1.00 57.21 C +ATOM 489 CD2 TYR A 60 38.157 33.233 0.198 1.00 57.36 C +ATOM 490 CE1 TYR A 60 37.162 33.793 -2.339 1.00 59.13 C +ATOM 491 CE2 TYR A 60 38.302 34.527 -0.345 1.00 58.91 C +ATOM 492 CZ TYR A 60 37.799 34.802 -1.611 1.00 59.55 C +ATOM 493 OH TYR A 60 37.912 36.077 -2.139 1.00 59.68 O +ATOM 494 N VAL A 61 35.159 29.204 -1.421 1.00 49.86 N +ATOM 495 CA VAL A 61 34.306 29.048 -2.582 1.00 49.23 C +ATOM 496 C VAL A 61 32.830 29.017 -2.179 1.00 50.23 C +ATOM 497 O VAL A 61 32.022 29.742 -2.754 1.00 50.34 O +ATOM 498 CB VAL A 61 34.676 27.773 -3.369 1.00 47.84 C +ATOM 499 CG1 VAL A 61 33.586 27.446 -4.395 1.00 46.90 C +ATOM 500 CG2 VAL A 61 36.018 27.984 -4.073 1.00 46.42 C +ATOM 501 N THR A 62 32.484 28.212 -1.182 1.00 51.03 N +ATOM 502 CA THR A 62 31.093 28.080 -0.754 1.00 52.03 C +ATOM 503 C THR A 62 30.473 29.420 -0.465 1.00 53.52 C +ATOM 504 O THR A 62 29.366 29.709 -0.905 1.00 54.27 O +ATOM 505 CB THR A 62 30.982 27.219 0.516 1.00 50.96 C +ATOM 506 OG1 THR A 62 31.647 25.972 0.299 1.00 50.00 O +ATOM 507 CG2 THR A 62 29.523 26.945 0.855 1.00 50.10 C +ATOM 508 N VAL A 63 31.186 30.248 0.272 1.00 54.09 N +ATOM 509 CA VAL A 63 30.656 31.536 0.650 1.00 54.78 C +ATOM 510 C VAL A 63 30.508 32.461 -0.526 1.00 56.02 C +ATOM 511 O VAL A 63 29.432 33.020 -0.741 1.00 56.05 O +ATOM 512 CB VAL A 63 31.554 32.180 1.694 1.00 53.72 C +ATOM 513 CG1 VAL A 63 31.172 33.621 1.888 1.00 53.98 C +ATOM 514 CG2 VAL A 63 31.428 31.425 2.995 1.00 53.21 C +ATOM 515 N GLN A 64 31.581 32.622 -1.284 1.00 57.46 N +ATOM 516 CA GLN A 64 31.587 33.520 -2.429 1.00 58.69 C +ATOM 517 C GLN A 64 30.488 33.246 -3.438 1.00 58.45 C +ATOM 518 O GLN A 64 29.975 34.196 -4.018 1.00 58.89 O +ATOM 519 CB GLN A 64 32.938 33.447 -3.108 1.00 59.96 C +ATOM 520 CG GLN A 64 32.952 33.957 -4.514 1.00 62.27 C +ATOM 521 CD GLN A 64 34.357 33.970 -5.066 1.00 63.48 C +ATOM 522 OE1 GLN A 64 35.168 34.839 -4.711 1.00 64.32 O +ATOM 523 NE2 GLN A 64 34.671 32.992 -5.922 1.00 63.50 N +ATOM 524 N HIS A 65 30.127 31.987 -3.663 1.00 58.02 N +ATOM 525 CA HIS A 65 29.089 31.684 -4.637 1.00 57.75 C +ATOM 526 C HIS A 65 27.749 31.633 -3.981 1.00 57.12 C +ATOM 527 O HIS A 65 27.326 30.612 -3.466 1.00 57.06 O +ATOM 528 CB HIS A 65 29.435 30.395 -5.351 1.00 58.33 C +ATOM 529 CG HIS A 65 30.654 30.519 -6.198 1.00 59.05 C +ATOM 530 ND1 HIS A 65 30.625 30.396 -7.570 1.00 60.95 N +ATOM 531 CD2 HIS A 65 31.930 30.826 -5.874 1.00 58.96 C +ATOM 532 CE1 HIS A 65 31.833 30.618 -8.054 1.00 60.45 C +ATOM 533 NE2 HIS A 65 32.643 30.882 -7.045 1.00 59.58 N +ATOM 534 N LYS A 66 27.079 32.773 -4.042 1.00 57.17 N +ATOM 535 CA LYS A 66 25.783 32.997 -3.422 1.00 57.71 C +ATOM 536 C LYS A 66 24.726 31.956 -3.707 1.00 56.77 C +ATOM 537 O LYS A 66 23.707 31.954 -3.023 1.00 56.67 O +ATOM 538 CB LYS A 66 25.277 34.394 -3.798 1.00 59.76 C +ATOM 539 CG LYS A 66 25.815 35.500 -2.884 1.00 61.99 C +ATOM 540 CD LYS A 66 27.345 35.509 -2.815 1.00 64.98 C +ATOM 541 CE LYS A 66 27.867 36.339 -1.624 1.00 66.82 C +ATOM 542 NZ LYS A 66 29.376 36.392 -1.524 1.00 67.87 N +ATOM 543 N LYS A 67 24.933 31.065 -4.663 1.00 56.05 N +ATOM 544 CA LYS A 67 23.881 30.092 -4.935 1.00 55.60 C +ATOM 545 C LYS A 67 24.197 28.736 -4.347 1.00 54.38 C +ATOM 546 O LYS A 67 23.323 27.886 -4.311 1.00 54.67 O +ATOM 547 CB LYS A 67 23.617 29.973 -6.444 1.00 57.47 C +ATOM 548 CG LYS A 67 23.480 31.325 -7.194 1.00 59.32 C +ATOM 549 CD LYS A 67 22.312 32.210 -6.702 1.00 60.15 C +ATOM 550 CE LYS A 67 20.954 31.525 -6.895 1.00 60.70 C +ATOM 551 NZ LYS A 67 20.772 30.980 -8.287 1.00 60.40 N +ATOM 552 N LEU A 68 25.424 28.517 -3.894 1.00 52.58 N +ATOM 553 CA LEU A 68 25.761 27.234 -3.288 1.00 50.90 C +ATOM 554 C LEU A 68 25.120 27.216 -1.894 1.00 50.80 C +ATOM 555 O LEU A 68 25.815 27.355 -0.886 1.00 50.71 O +ATOM 556 CB LEU A 68 27.285 27.099 -3.198 1.00 49.12 C +ATOM 557 CG LEU A 68 28.065 27.034 -4.514 1.00 46.92 C +ATOM 558 CD1 LEU A 68 29.549 27.218 -4.235 1.00 46.53 C +ATOM 559 CD2 LEU A 68 27.804 25.715 -5.202 1.00 45.78 C +ATOM 560 N ARG A 69 23.800 27.037 -1.840 1.00 50.49 N +ATOM 561 CA ARG A 69 23.087 27.072 -0.561 1.00 51.13 C +ATOM 562 C ARG A 69 22.188 25.868 -0.298 1.00 52.12 C +ATOM 563 O ARG A 69 21.192 26.011 0.419 1.00 52.49 O +ATOM 564 CB ARG A 69 22.255 28.345 -0.497 1.00 49.63 C +ATOM 565 CG ARG A 69 23.087 29.577 -0.650 1.00 47.89 C +ATOM 566 CD ARG A 69 23.937 29.726 0.560 1.00 45.64 C +ATOM 567 NE ARG A 69 24.826 30.874 0.479 1.00 44.55 N +ATOM 568 CZ ARG A 69 26.014 30.867 -0.118 1.00 45.26 C +ATOM 569 NH1 ARG A 69 26.463 29.761 -0.699 1.00 46.04 N +ATOM 570 NH2 ARG A 69 26.768 31.961 -0.110 1.00 44.86 N +ATOM 571 N THR A 70 22.528 24.699 -0.832 1.00 52.18 N +ATOM 572 CA THR A 70 21.717 23.500 -0.609 1.00 52.88 C +ATOM 573 C THR A 70 22.059 22.902 0.737 1.00 53.40 C +ATOM 574 O THR A 70 23.028 23.330 1.369 1.00 54.03 O +ATOM 575 CB THR A 70 21.994 22.429 -1.684 1.00 53.03 C +ATOM 576 OG1 THR A 70 23.349 21.989 -1.600 1.00 52.24 O +ATOM 577 CG2 THR A 70 21.793 23.003 -3.048 1.00 53.58 C +ATOM 578 N PRO A 71 21.272 21.919 1.209 1.00 53.34 N +ATOM 579 CA PRO A 71 21.602 21.327 2.502 1.00 52.72 C +ATOM 580 C PRO A 71 23.014 20.754 2.436 1.00 52.40 C +ATOM 581 O PRO A 71 23.737 20.788 3.426 1.00 52.57 O +ATOM 582 CB PRO A 71 20.535 20.251 2.657 1.00 52.87 C +ATOM 583 CG PRO A 71 19.354 20.888 2.020 1.00 52.95 C +ATOM 584 CD PRO A 71 19.966 21.425 0.739 1.00 53.66 C +ATOM 585 N LEU A 72 23.402 20.254 1.262 1.00 51.28 N +ATOM 586 CA LEU A 72 24.734 19.683 1.060 1.00 50.35 C +ATOM 587 C LEU A 72 25.827 20.753 1.072 1.00 50.75 C +ATOM 588 O LEU A 72 26.909 20.518 1.613 1.00 51.05 O +ATOM 589 CB LEU A 72 24.799 18.931 -0.263 1.00 49.30 C +ATOM 590 CG LEU A 72 26.192 18.367 -0.560 1.00 48.89 C +ATOM 591 CD1 LEU A 72 26.503 17.258 0.421 1.00 48.52 C +ATOM 592 CD2 LEU A 72 26.268 17.832 -1.964 1.00 49.08 C +ATOM 593 N ASN A 73 25.566 21.904 0.462 1.00 50.95 N +ATOM 594 CA ASN A 73 26.550 22.977 0.444 1.00 51.39 C +ATOM 595 C ASN A 73 26.784 23.438 1.867 1.00 51.63 C +ATOM 596 O ASN A 73 27.880 23.910 2.173 1.00 52.65 O +ATOM 597 CB ASN A 73 26.076 24.165 -0.412 1.00 51.88 C +ATOM 598 CG ASN A 73 26.010 23.836 -1.898 1.00 52.44 C +ATOM 599 OD1 ASN A 73 26.941 23.264 -2.463 1.00 52.20 O +ATOM 600 ND2 ASN A 73 24.910 24.214 -2.539 1.00 52.35 N +ATOM 601 N TYR A 74 25.773 23.317 2.727 1.00 50.85 N +ATOM 602 CA TYR A 74 25.919 23.718 4.123 1.00 50.94 C +ATOM 603 C TYR A 74 26.755 22.703 4.866 1.00 51.04 C +ATOM 604 O TYR A 74 27.777 23.065 5.436 1.00 51.67 O +ATOM 605 CB TYR A 74 24.562 23.830 4.804 1.00 50.49 C +ATOM 606 CG TYR A 74 23.913 25.152 4.575 1.00 51.17 C +ATOM 607 CD1 TYR A 74 24.028 26.176 5.508 1.00 51.00 C +ATOM 608 CD2 TYR A 74 23.232 25.411 3.386 1.00 52.42 C +ATOM 609 CE1 TYR A 74 23.481 27.435 5.253 1.00 51.51 C +ATOM 610 CE2 TYR A 74 22.682 26.661 3.122 1.00 51.79 C +ATOM 611 CZ TYR A 74 22.814 27.662 4.055 1.00 51.69 C +ATOM 612 OH TYR A 74 22.297 28.892 3.764 1.00 52.66 O +ATOM 613 N ILE A 75 26.326 21.443 4.854 1.00 50.14 N +ATOM 614 CA ILE A 75 27.014 20.369 5.557 1.00 48.96 C +ATOM 615 C ILE A 75 28.470 20.308 5.201 1.00 48.51 C +ATOM 616 O ILE A 75 29.293 20.035 6.070 1.00 49.55 O +ATOM 617 CB ILE A 75 26.334 19.005 5.277 1.00 49.74 C +ATOM 618 CG1 ILE A 75 25.084 18.887 6.152 1.00 49.32 C +ATOM 619 CG2 ILE A 75 27.307 17.856 5.515 1.00 49.57 C +ATOM 620 CD1 ILE A 75 25.318 19.308 7.620 1.00 50.51 C +ATOM 621 N LEU A 76 28.813 20.560 3.946 1.00 47.28 N +ATOM 622 CA LEU A 76 30.214 20.505 3.589 1.00 46.46 C +ATOM 623 C LEU A 76 30.938 21.758 3.994 1.00 45.97 C +ATOM 624 O LEU A 76 32.143 21.717 4.153 1.00 46.60 O +ATOM 625 CB LEU A 76 30.399 20.177 2.112 1.00 46.57 C +ATOM 626 CG LEU A 76 30.610 18.652 2.095 1.00 47.04 C +ATOM 627 CD1 LEU A 76 29.364 17.952 1.609 1.00 46.91 C +ATOM 628 CD2 LEU A 76 31.798 18.297 1.253 1.00 47.00 C +ATOM 629 N LEU A 77 30.237 22.868 4.172 1.00 45.16 N +ATOM 630 CA LEU A 77 30.916 24.075 4.641 1.00 45.05 C +ATOM 631 C LEU A 77 31.237 23.819 6.100 1.00 44.75 C +ATOM 632 O LEU A 77 32.309 24.161 6.588 1.00 45.61 O +ATOM 633 CB LEU A 77 30.006 25.307 4.521 1.00 45.31 C +ATOM 634 CG LEU A 77 30.605 26.607 5.071 1.00 45.03 C +ATOM 635 CD1 LEU A 77 32.001 26.853 4.527 1.00 45.06 C +ATOM 636 CD2 LEU A 77 29.692 27.736 4.703 1.00 44.86 C +ATOM 637 N ASN A 78 30.280 23.202 6.781 1.00 44.05 N +ATOM 638 CA ASN A 78 30.388 22.834 8.182 1.00 43.70 C +ATOM 639 C ASN A 78 31.632 21.957 8.328 1.00 43.59 C +ATOM 640 O ASN A 78 32.489 22.238 9.157 1.00 44.16 O +ATOM 641 CB ASN A 78 29.095 22.086 8.571 1.00 44.36 C +ATOM 642 CG ASN A 78 29.113 21.514 9.981 1.00 43.95 C +ATOM 643 OD1 ASN A 78 29.474 22.196 10.948 1.00 42.89 O +ATOM 644 ND2 ASN A 78 28.688 20.250 10.103 1.00 44.26 N +ATOM 645 N LEU A 79 31.746 20.925 7.498 1.00 42.41 N +ATOM 646 CA LEU A 79 32.885 20.029 7.558 1.00 40.88 C +ATOM 647 C LEU A 79 34.202 20.756 7.342 1.00 40.84 C +ATOM 648 O LEU A 79 35.183 20.421 8.006 1.00 40.77 O +ATOM 649 CB LEU A 79 32.722 18.928 6.527 1.00 40.93 C +ATOM 650 CG LEU A 79 32.017 17.658 6.999 1.00 40.99 C +ATOM 651 CD1 LEU A 79 31.441 17.820 8.410 1.00 41.38 C +ATOM 652 CD2 LEU A 79 30.956 17.315 5.969 1.00 40.67 C +ATOM 653 N ALA A 80 34.241 21.733 6.437 1.00 40.56 N +ATOM 654 CA ALA A 80 35.476 22.472 6.163 1.00 40.21 C +ATOM 655 C ALA A 80 35.868 23.269 7.392 1.00 40.35 C +ATOM 656 O ALA A 80 37.042 23.387 7.712 1.00 40.96 O +ATOM 657 CB ALA A 80 35.290 23.409 4.946 1.00 39.75 C +ATOM 658 N VAL A 81 34.890 23.811 8.094 1.00 40.28 N +ATOM 659 CA VAL A 81 35.185 24.585 9.287 1.00 40.28 C +ATOM 660 C VAL A 81 35.723 23.669 10.382 1.00 40.81 C +ATOM 661 O VAL A 81 36.739 23.963 11.003 1.00 40.13 O +ATOM 662 CB VAL A 81 33.919 25.300 9.751 1.00 39.83 C +ATOM 663 CG1 VAL A 81 34.185 26.097 11.001 1.00 39.65 C +ATOM 664 CG2 VAL A 81 33.436 26.197 8.641 1.00 38.79 C +ATOM 665 N ALA A 82 35.037 22.556 10.600 1.00 41.39 N +ATOM 666 CA ALA A 82 35.434 21.596 11.604 1.00 41.75 C +ATOM 667 C ALA A 82 36.826 21.046 11.284 1.00 42.80 C +ATOM 668 O ALA A 82 37.581 20.750 12.204 1.00 43.38 O +ATOM 669 CB ALA A 82 34.407 20.471 11.666 1.00 40.80 C +ATOM 670 N ASP A 83 37.169 20.930 9.998 1.00 44.01 N +ATOM 671 CA ASP A 83 38.472 20.407 9.549 1.00 43.99 C +ATOM 672 C ASP A 83 39.557 21.458 9.781 1.00 44.44 C +ATOM 673 O ASP A 83 40.721 21.094 9.991 1.00 45.71 O +ATOM 674 CB ASP A 83 38.462 20.026 8.056 1.00 44.02 C +ATOM 675 CG ASP A 83 37.573 18.838 7.742 1.00 43.73 C +ATOM 676 OD1 ASP A 83 37.126 18.132 8.660 1.00 43.57 O +ATOM 677 OD2 ASP A 83 37.323 18.602 6.550 1.00 43.85 O +ATOM 678 N LEU A 84 39.197 22.740 9.724 1.00 43.64 N +ATOM 679 CA LEU A 84 40.169 23.806 9.967 1.00 42.71 C +ATOM 680 C LEU A 84 40.443 23.885 11.462 1.00 43.09 C +ATOM 681 O LEU A 84 41.531 24.298 11.855 1.00 43.70 O +ATOM 682 CB LEU A 84 39.659 25.154 9.430 1.00 42.24 C +ATOM 683 CG LEU A 84 39.790 25.391 7.912 1.00 40.63 C +ATOM 684 CD1 LEU A 84 38.895 26.542 7.491 1.00 40.06 C +ATOM 685 CD2 LEU A 84 41.233 25.674 7.539 1.00 39.38 C +ATOM 686 N PHE A 85 39.467 23.499 12.288 1.00 42.95 N +ATOM 687 CA PHE A 85 39.668 23.473 13.736 1.00 43.35 C +ATOM 688 C PHE A 85 40.601 22.326 14.051 1.00 43.03 C +ATOM 689 O PHE A 85 41.421 22.412 14.947 1.00 42.63 O +ATOM 690 CB PHE A 85 38.345 23.280 14.469 1.00 44.35 C +ATOM 691 CG PHE A 85 37.628 24.559 14.749 1.00 45.15 C +ATOM 692 CD1 PHE A 85 38.246 25.565 15.488 1.00 45.69 C +ATOM 693 CD2 PHE A 85 36.339 24.769 14.271 1.00 45.61 C +ATOM 694 CE1 PHE A 85 37.582 26.780 15.753 1.00 46.18 C +ATOM 695 CE2 PHE A 85 35.667 25.967 14.522 1.00 45.34 C +ATOM 696 CZ PHE A 85 36.288 26.979 15.266 1.00 45.44 C +ATOM 697 N MET A 86 40.461 21.245 13.306 1.00 42.72 N +ATOM 698 CA MET A 86 41.331 20.103 13.474 1.00 43.14 C +ATOM 699 C MET A 86 42.761 20.534 13.195 1.00 43.77 C +ATOM 700 O MET A 86 43.621 20.361 14.041 1.00 45.48 O +ATOM 701 CB MET A 86 40.935 18.984 12.504 1.00 43.69 C +ATOM 702 CG MET A 86 39.535 18.452 12.733 1.00 44.57 C +ATOM 703 SD MET A 86 39.137 16.991 11.762 1.00 46.25 S +ATOM 704 CE MET A 86 39.972 15.752 12.693 1.00 43.20 C +ATOM 705 N VAL A 87 42.996 21.107 12.017 1.00 43.22 N +ATOM 706 CA VAL A 87 44.326 21.540 11.591 1.00 41.86 C +ATOM 707 C VAL A 87 44.966 22.489 12.573 1.00 42.70 C +ATOM 708 O VAL A 87 46.048 22.226 13.080 1.00 43.40 O +ATOM 709 CB VAL A 87 44.267 22.237 10.220 1.00 40.07 C +ATOM 710 CG1 VAL A 87 45.640 22.673 9.806 1.00 38.91 C +ATOM 711 CG2 VAL A 87 43.674 21.315 9.190 1.00 38.64 C +ATOM 712 N PHE A 88 44.304 23.600 12.845 1.00 43.08 N +ATOM 713 CA PHE A 88 44.868 24.598 13.749 1.00 44.04 C +ATOM 714 C PHE A 88 44.629 24.247 15.203 1.00 43.44 C +ATOM 715 O PHE A 88 45.496 24.502 16.040 1.00 43.33 O +ATOM 716 CB PHE A 88 44.292 25.979 13.425 1.00 46.07 C +ATOM 717 CG PHE A 88 44.708 26.508 12.079 1.00 47.73 C +ATOM 718 CD1 PHE A 88 46.048 26.756 11.801 1.00 49.33 C +ATOM 719 CD2 PHE A 88 43.766 26.706 11.065 1.00 48.02 C +ATOM 720 CE1 PHE A 88 46.450 27.192 10.523 1.00 50.24 C +ATOM 721 CE2 PHE A 88 44.158 27.141 9.787 1.00 48.37 C +ATOM 722 CZ PHE A 88 45.498 27.381 9.515 1.00 49.38 C +ATOM 723 N GLY A 89 43.480 23.654 15.502 1.00 42.32 N +ATOM 724 CA GLY A 89 43.179 23.294 16.874 1.00 41.13 C +ATOM 725 C GLY A 89 44.055 22.222 17.508 1.00 40.24 C +ATOM 726 O GLY A 89 44.655 22.447 18.546 1.00 39.99 O +ATOM 727 N GLY A 90 44.141 21.051 16.896 1.00 39.51 N +ATOM 728 CA GLY A 90 44.943 20.013 17.504 1.00 38.76 C +ATOM 729 C GLY A 90 46.161 19.576 16.740 1.00 38.72 C +ATOM 730 O GLY A 90 47.115 19.165 17.353 1.00 40.10 O +ATOM 731 N PHE A 91 46.133 19.669 15.415 1.00 38.41 N +ATOM 732 CA PHE A 91 47.253 19.227 14.577 1.00 38.45 C +ATOM 733 C PHE A 91 48.484 20.004 14.841 1.00 39.35 C +ATOM 734 O PHE A 91 49.584 19.512 14.631 1.00 40.01 O +ATOM 735 CB PHE A 91 46.893 19.315 13.105 1.00 37.74 C +ATOM 736 CG PHE A 91 45.960 18.236 12.664 1.00 37.36 C +ATOM 737 CD1 PHE A 91 45.235 17.507 13.600 1.00 37.59 C +ATOM 738 CD2 PHE A 91 45.808 17.938 11.314 1.00 36.40 C +ATOM 739 CE1 PHE A 91 44.380 16.501 13.200 1.00 37.98 C +ATOM 740 CE2 PHE A 91 44.952 16.927 10.903 1.00 37.14 C +ATOM 741 CZ PHE A 91 44.236 16.204 11.844 1.00 37.01 C +ATOM 742 N THR A 92 48.312 21.225 15.303 1.00 38.69 N +ATOM 743 CA THR A 92 49.444 22.058 15.624 1.00 38.89 C +ATOM 744 C THR A 92 50.146 21.465 16.853 1.00 39.29 C +ATOM 745 O THR A 92 51.373 21.421 16.935 1.00 39.23 O +ATOM 746 CB THR A 92 48.933 23.469 15.883 1.00 39.14 C +ATOM 747 OG1 THR A 92 47.778 23.401 16.729 1.00 41.00 O +ATOM 748 CG2 THR A 92 48.518 24.120 14.569 1.00 39.56 C +ATOM 749 N THR A 93 49.360 20.981 17.802 1.00 39.63 N +ATOM 750 CA THR A 93 49.926 20.388 18.993 1.00 40.57 C +ATOM 751 C THR A 93 50.468 19.009 18.679 1.00 41.11 C +ATOM 752 O THR A 93 51.507 18.646 19.215 1.00 42.70 O +ATOM 753 CB THR A 93 48.881 20.254 20.117 1.00 41.08 C +ATOM 754 OG1 THR A 93 48.595 21.546 20.658 1.00 41.36 O +ATOM 755 CG2 THR A 93 49.401 19.349 21.233 1.00 42.23 C +ATOM 756 N THR A 94 49.794 18.235 17.832 1.00 40.59 N +ATOM 757 CA THR A 94 50.294 16.897 17.540 1.00 39.16 C +ATOM 758 C THR A 94 51.595 16.932 16.752 1.00 38.71 C +ATOM 759 O THR A 94 52.394 16.019 16.857 1.00 38.34 O +ATOM 760 CB THR A 94 49.245 16.034 16.813 1.00 38.75 C +ATOM 761 OG1 THR A 94 49.913 15.010 16.063 1.00 38.79 O +ATOM 762 CG2 THR A 94 48.389 16.862 15.923 1.00 37.55 C +ATOM 763 N LEU A 95 51.816 17.984 15.982 1.00 38.95 N +ATOM 764 CA LEU A 95 53.072 18.091 15.261 1.00 38.48 C +ATOM 765 C LEU A 95 54.101 18.583 16.238 1.00 38.97 C +ATOM 766 O LEU A 95 55.233 18.137 16.215 1.00 39.01 O +ATOM 767 CB LEU A 95 52.975 19.085 14.110 1.00 37.78 C +ATOM 768 CG LEU A 95 54.327 19.491 13.512 1.00 36.87 C +ATOM 769 CD1 LEU A 95 55.087 18.277 13.016 1.00 37.07 C +ATOM 770 CD2 LEU A 95 54.083 20.446 12.376 1.00 36.69 C +ATOM 771 N TYR A 96 53.704 19.506 17.102 1.00 39.20 N +ATOM 772 CA TYR A 96 54.617 20.049 18.086 1.00 40.11 C +ATOM 773 C TYR A 96 55.055 18.965 19.038 1.00 40.78 C +ATOM 774 O TYR A 96 56.213 18.940 19.449 1.00 41.85 O +ATOM 775 CB TYR A 96 53.940 21.140 18.889 1.00 41.92 C +ATOM 776 CG TYR A 96 54.903 21.858 19.787 1.00 45.17 C +ATOM 777 CD1 TYR A 96 55.786 22.799 19.267 1.00 46.93 C +ATOM 778 CD2 TYR A 96 54.961 21.584 21.151 1.00 46.94 C +ATOM 779 CE1 TYR A 96 56.711 23.461 20.073 1.00 48.34 C +ATOM 780 CE2 TYR A 96 55.885 22.241 21.977 1.00 49.53 C +ATOM 781 CZ TYR A 96 56.763 23.184 21.427 1.00 50.08 C +ATOM 782 OH TYR A 96 57.698 23.847 22.210 1.00 53.51 O +ATOM 783 N THR A 97 54.122 18.092 19.406 1.00 40.08 N +ATOM 784 CA THR A 97 54.373 16.991 20.321 1.00 39.55 C +ATOM 785 C THR A 97 55.240 15.922 19.668 1.00 39.94 C +ATOM 786 O THR A 97 56.152 15.406 20.303 1.00 40.27 O +ATOM 787 CB THR A 97 53.053 16.383 20.741 1.00 39.67 C +ATOM 788 OG1 THR A 97 52.332 17.344 21.522 1.00 40.97 O +ATOM 789 CG2 THR A 97 53.273 15.111 21.521 1.00 39.33 C +ATOM 790 N SER A 98 54.949 15.574 18.417 1.00 40.39 N +ATOM 791 CA SER A 98 55.732 14.573 17.711 1.00 40.18 C +ATOM 792 C SER A 98 57.153 15.036 17.638 1.00 41.32 C +ATOM 793 O SER A 98 58.057 14.224 17.802 1.00 42.60 O +ATOM 794 CB SER A 98 55.207 14.373 16.297 1.00 38.90 C +ATOM 795 OG SER A 98 53.973 13.717 16.329 1.00 38.62 O +ATOM 796 N LEU A 99 57.352 16.338 17.403 1.00 42.19 N +ATOM 797 CA LEU A 99 58.700 16.944 17.275 1.00 42.27 C +ATOM 798 C LEU A 99 59.522 16.848 18.536 1.00 42.49 C +ATOM 799 O LEU A 99 60.732 16.907 18.448 1.00 43.81 O +ATOM 800 CB LEU A 99 58.612 18.422 16.865 1.00 40.98 C +ATOM 801 CG LEU A 99 58.346 18.689 15.382 1.00 40.58 C +ATOM 802 CD1 LEU A 99 58.062 20.146 15.174 1.00 39.57 C +ATOM 803 CD2 LEU A 99 59.532 18.223 14.548 1.00 39.74 C +ATOM 804 N HIS A 100 58.891 16.708 19.693 1.00 42.42 N +ATOM 805 CA HIS A 100 59.630 16.621 20.941 1.00 41.56 C +ATOM 806 C HIS A 100 59.559 15.233 21.537 1.00 41.28 C +ATOM 807 O HIS A 100 60.275 14.955 22.493 1.00 41.98 O +ATOM 808 CB HIS A 100 59.091 17.667 21.910 1.00 42.53 C +ATOM 809 CG HIS A 100 59.284 19.071 21.424 1.00 45.43 C +ATOM 810 ND1 HIS A 100 60.531 19.655 21.300 1.00 47.16 N +ATOM 811 CD2 HIS A 100 58.395 20.005 21.014 1.00 46.79 C +ATOM 812 CE1 HIS A 100 60.401 20.886 20.840 1.00 47.33 C +ATOM 813 NE2 HIS A 100 59.114 21.125 20.659 1.00 48.54 N +ATOM 814 N GLY A 101 58.719 14.365 20.972 1.00 40.51 N +ATOM 815 CA GLY A 101 58.589 13.016 21.489 1.00 39.14 C +ATOM 816 C GLY A 101 57.705 12.924 22.722 1.00 39.04 C +ATOM 817 O GLY A 101 57.713 11.913 23.402 1.00 39.19 O +ATOM 818 N TYR A 102 56.949 13.980 23.019 1.00 39.70 N +ATOM 819 CA TYR A 102 56.048 13.997 24.179 1.00 39.93 C +ATOM 820 C TYR A 102 55.266 15.307 24.238 1.00 39.31 C +ATOM 821 O TYR A 102 55.601 16.273 23.545 1.00 39.55 O +ATOM 822 CB TYR A 102 56.830 13.797 25.500 1.00 41.85 C +ATOM 823 CG TYR A 102 57.514 15.044 26.063 1.00 42.10 C +ATOM 824 CD1 TYR A 102 58.713 15.527 25.524 1.00 42.02 C +ATOM 825 CD2 TYR A 102 56.947 15.742 27.128 1.00 43.00 C +ATOM 826 CE1 TYR A 102 59.329 16.674 26.032 1.00 42.00 C +ATOM 827 CE2 TYR A 102 57.546 16.886 27.645 1.00 43.54 C +ATOM 828 CZ TYR A 102 58.737 17.353 27.095 1.00 43.24 C +ATOM 829 OH TYR A 102 59.308 18.501 27.616 1.00 43.00 O +ATOM 830 N PHE A 103 54.242 15.326 25.087 1.00 38.37 N +ATOM 831 CA PHE A 103 53.371 16.477 25.263 1.00 37.54 C +ATOM 832 C PHE A 103 53.998 17.531 26.149 1.00 38.74 C +ATOM 833 O PHE A 103 53.657 17.627 27.330 1.00 37.83 O +ATOM 834 CB PHE A 103 52.026 16.024 25.842 1.00 36.76 C +ATOM 835 CG PHE A 103 51.060 15.533 24.802 1.00 35.98 C +ATOM 836 CD1 PHE A 103 50.374 16.442 23.993 1.00 35.36 C +ATOM 837 CD2 PHE A 103 50.857 14.173 24.605 1.00 34.32 C +ATOM 838 CE1 PHE A 103 49.503 16.006 23.004 1.00 35.48 C +ATOM 839 CE2 PHE A 103 49.986 13.727 23.615 1.00 34.80 C +ATOM 840 CZ PHE A 103 49.306 14.647 22.811 1.00 34.98 C +ATOM 841 N VAL A 104 54.902 18.327 25.574 1.00 40.36 N +ATOM 842 CA VAL A 104 55.553 19.389 26.327 1.00 42.10 C +ATOM 843 C VAL A 104 54.480 20.264 26.988 1.00 43.06 C +ATOM 844 O VAL A 104 54.658 20.670 28.133 1.00 45.33 O +ATOM 845 CB VAL A 104 56.470 20.304 25.432 1.00 41.63 C +ATOM 846 CG1 VAL A 104 57.146 19.494 24.361 1.00 40.15 C +ATOM 847 CG2 VAL A 104 55.665 21.437 24.836 1.00 43.06 C +ATOM 848 N PHE A 105 53.376 20.545 26.305 1.00 43.33 N +ATOM 849 CA PHE A 105 52.344 21.374 26.921 1.00 44.10 C +ATOM 850 C PHE A 105 51.540 20.607 27.942 1.00 43.72 C +ATOM 851 O PHE A 105 50.456 21.071 28.353 1.00 45.16 O +ATOM 852 CB PHE A 105 51.406 21.926 25.864 1.00 46.27 C +ATOM 853 CG PHE A 105 52.092 22.773 24.862 1.00 48.77 C +ATOM 854 CD1 PHE A 105 52.948 23.801 25.278 1.00 49.74 C +ATOM 855 CD2 PHE A 105 51.902 22.548 23.499 1.00 50.04 C +ATOM 856 CE1 PHE A 105 53.617 24.598 24.357 1.00 50.85 C +ATOM 857 CE2 PHE A 105 52.563 23.338 22.560 1.00 51.31 C +ATOM 858 CZ PHE A 105 53.428 24.371 22.992 1.00 51.75 C +ATOM 859 N GLY A 106 52.032 19.446 28.352 1.00 41.67 N +ATOM 860 CA GLY A 106 51.300 18.677 29.336 1.00 41.15 C +ATOM 861 C GLY A 106 49.846 18.389 28.984 1.00 41.16 C +ATOM 862 O GLY A 106 49.443 18.460 27.829 1.00 41.26 O +ATOM 863 N PRO A 107 49.031 18.045 29.982 1.00 41.64 N +ATOM 864 CA PRO A 107 47.624 17.746 29.726 1.00 42.52 C +ATOM 865 C PRO A 107 46.874 18.753 28.901 1.00 42.86 C +ATOM 866 O PRO A 107 45.934 18.369 28.208 1.00 43.94 O +ATOM 867 CB PRO A 107 47.040 17.563 31.135 1.00 42.07 C +ATOM 868 CG PRO A 107 48.051 18.183 32.042 1.00 41.05 C +ATOM 869 CD PRO A 107 49.349 17.841 31.401 1.00 41.61 C +ATOM 870 N THR A 108 47.268 20.020 28.942 1.00 43.19 N +ATOM 871 CA THR A 108 46.554 21.010 28.143 1.00 44.14 C +ATOM 872 C THR A 108 46.731 20.679 26.672 1.00 44.15 C +ATOM 873 O THR A 108 45.743 20.634 25.929 1.00 44.45 O +ATOM 874 CB THR A 108 47.053 22.434 28.418 1.00 44.53 C +ATOM 875 OG1 THR A 108 46.988 22.695 29.824 1.00 45.33 O +ATOM 876 CG2 THR A 108 46.168 23.443 27.709 1.00 44.16 C +ATOM 877 N GLY A 109 47.972 20.435 26.255 1.00 43.20 N +ATOM 878 CA GLY A 109 48.221 20.085 24.871 1.00 42.64 C +ATOM 879 C GLY A 109 47.509 18.805 24.476 1.00 42.68 C +ATOM 880 O GLY A 109 47.106 18.649 23.342 1.00 43.48 O +ATOM 881 N CYS A 110 47.342 17.902 25.436 1.00 42.09 N +ATOM 882 CA CYS A 110 46.710 16.607 25.237 1.00 41.45 C +ATOM 883 C CYS A 110 45.250 16.801 25.048 1.00 41.11 C +ATOM 884 O CYS A 110 44.613 16.051 24.304 1.00 40.05 O +ATOM 885 CB CYS A 110 46.947 15.741 26.454 1.00 41.83 C +ATOM 886 SG CYS A 110 46.245 14.064 26.418 1.00 41.91 S +ATOM 887 N ASN A 111 44.706 17.802 25.730 1.00 41.16 N +ATOM 888 CA ASN A 111 43.285 18.090 25.621 1.00 41.22 C +ATOM 889 C ASN A 111 42.993 18.725 24.281 1.00 40.97 C +ATOM 890 O ASN A 111 41.990 18.393 23.666 1.00 41.03 O +ATOM 891 CB ASN A 111 42.832 19.007 26.756 1.00 40.94 C +ATOM 892 CG ASN A 111 42.793 18.299 28.096 1.00 42.04 C +ATOM 893 OD1 ASN A 111 42.142 17.268 28.263 1.00 42.29 O +ATOM 894 ND2 ASN A 111 43.488 18.859 29.058 1.00 42.93 N +ATOM 895 N LEU A 112 43.860 19.625 23.823 1.00 40.50 N +ATOM 896 CA LEU A 112 43.666 20.273 22.525 1.00 40.12 C +ATOM 897 C LEU A 112 43.704 19.217 21.470 1.00 40.57 C +ATOM 898 O LEU A 112 42.803 19.126 20.645 1.00 40.73 O +ATOM 899 CB LEU A 112 44.782 21.287 22.260 1.00 39.53 C +ATOM 900 CG LEU A 112 44.800 22.515 23.176 1.00 39.11 C +ATOM 901 CD1 LEU A 112 46.073 23.298 22.920 1.00 37.80 C +ATOM 902 CD2 LEU A 112 43.538 23.372 22.953 1.00 36.74 C +ATOM 903 N GLU A 113 44.770 18.424 21.521 1.00 41.07 N +ATOM 904 CA GLU A 113 45.010 17.316 20.608 1.00 41.48 C +ATOM 905 C GLU A 113 43.772 16.389 20.579 1.00 41.42 C +ATOM 906 O GLU A 113 43.213 16.160 19.505 1.00 42.37 O +ATOM 907 CB GLU A 113 46.260 16.552 21.076 1.00 42.27 C +ATOM 908 CG GLU A 113 47.174 16.079 19.972 1.00 45.67 C +ATOM 909 CD GLU A 113 46.474 15.165 19.002 1.00 47.69 C +ATOM 910 OE1 GLU A 113 45.823 14.211 19.480 1.00 48.20 O +ATOM 911 OE2 GLU A 113 46.574 15.394 17.771 1.00 49.25 O +ATOM 912 N GLY A 114 43.335 15.890 21.739 1.00 41.23 N +ATOM 913 CA GLY A 114 42.184 15.004 21.789 1.00 39.36 C +ATOM 914 C GLY A 114 40.857 15.626 21.392 1.00 39.01 C +ATOM 915 O GLY A 114 40.156 15.093 20.544 1.00 38.37 O +ATOM 916 N PHE A 115 40.525 16.764 21.996 1.00 38.68 N +ATOM 917 CA PHE A 115 39.258 17.466 21.746 1.00 38.81 C +ATOM 918 C PHE A 115 39.011 17.775 20.281 1.00 39.37 C +ATOM 919 O PHE A 115 37.971 17.416 19.743 1.00 40.13 O +ATOM 920 CB PHE A 115 39.188 18.784 22.546 1.00 37.75 C +ATOM 921 CG PHE A 115 37.928 19.574 22.305 1.00 36.88 C +ATOM 922 CD1 PHE A 115 36.707 19.137 22.816 1.00 36.83 C +ATOM 923 CD2 PHE A 115 37.950 20.726 21.523 1.00 36.77 C +ATOM 924 CE1 PHE A 115 35.521 19.832 22.551 1.00 36.61 C +ATOM 925 CE2 PHE A 115 36.768 21.431 21.248 1.00 35.98 C +ATOM 926 CZ PHE A 115 35.553 20.978 21.765 1.00 36.03 C +ATOM 927 N PHE A 116 39.945 18.432 19.625 1.00 39.61 N +ATOM 928 CA PHE A 116 39.698 18.795 18.247 1.00 40.28 C +ATOM 929 C PHE A 116 39.623 17.645 17.300 1.00 40.43 C +ATOM 930 O PHE A 116 38.901 17.749 16.318 1.00 40.70 O +ATOM 931 CB PHE A 116 40.714 19.825 17.796 1.00 40.85 C +ATOM 932 CG PHE A 116 40.407 21.179 18.311 1.00 41.37 C +ATOM 933 CD1 PHE A 116 39.189 21.785 17.992 1.00 40.54 C +ATOM 934 CD2 PHE A 116 41.287 21.828 19.171 1.00 41.56 C +ATOM 935 CE1 PHE A 116 38.850 23.025 18.529 1.00 41.46 C +ATOM 936 CE2 PHE A 116 40.955 23.067 19.711 1.00 41.12 C +ATOM 937 CZ PHE A 116 39.734 23.668 19.392 1.00 40.94 C +ATOM 938 N ALA A 117 40.340 16.560 17.555 1.00 40.14 N +ATOM 939 CA ALA A 117 40.268 15.418 16.653 1.00 40.83 C +ATOM 940 C ALA A 117 38.926 14.719 16.852 1.00 41.75 C +ATOM 941 O ALA A 117 38.318 14.207 15.906 1.00 42.04 O +ATOM 942 CB ALA A 117 41.385 14.475 16.941 1.00 41.29 C +ATOM 943 N THR A 118 38.467 14.714 18.098 1.00 42.61 N +ATOM 944 CA THR A 118 37.192 14.105 18.457 1.00 43.21 C +ATOM 945 C THR A 118 36.070 14.962 17.890 1.00 43.20 C +ATOM 946 O THR A 118 35.169 14.443 17.193 1.00 43.36 O +ATOM 947 CB THR A 118 37.059 14.017 19.990 1.00 44.20 C +ATOM 948 OG1 THR A 118 38.126 13.214 20.508 1.00 45.44 O +ATOM 949 CG2 THR A 118 35.741 13.391 20.385 1.00 44.67 C +ATOM 950 N LEU A 119 36.125 16.260 18.183 1.00 43.50 N +ATOM 951 CA LEU A 119 35.141 17.216 17.691 1.00 42.96 C +ATOM 952 C LEU A 119 35.006 17.043 16.174 1.00 42.17 C +ATOM 953 O LEU A 119 33.899 16.961 15.643 1.00 41.06 O +ATOM 954 CB LEU A 119 35.613 18.639 18.016 1.00 43.26 C +ATOM 955 CG LEU A 119 34.595 19.613 18.594 1.00 43.08 C +ATOM 956 CD1 LEU A 119 35.031 21.034 18.280 1.00 42.86 C +ATOM 957 CD2 LEU A 119 33.234 19.327 17.985 1.00 43.05 C +ATOM 958 N GLY A 120 36.149 16.965 15.499 1.00 42.23 N +ATOM 959 CA GLY A 120 36.167 16.817 14.053 1.00 42.59 C +ATOM 960 C GLY A 120 35.584 15.526 13.515 1.00 42.77 C +ATOM 961 O GLY A 120 34.774 15.540 12.590 1.00 43.26 O +ATOM 962 N GLY A 121 36.000 14.401 14.074 1.00 42.64 N +ATOM 963 CA GLY A 121 35.471 13.138 13.606 1.00 42.59 C +ATOM 964 C GLY A 121 33.979 13.019 13.880 1.00 43.13 C +ATOM 965 O GLY A 121 33.221 12.536 13.017 1.00 42.32 O +ATOM 966 N GLU A 122 33.560 13.469 15.072 1.00 42.73 N +ATOM 967 CA GLU A 122 32.159 13.396 15.494 1.00 42.73 C +ATOM 968 C GLU A 122 31.259 14.366 14.732 1.00 42.91 C +ATOM 969 O GLU A 122 30.062 14.091 14.566 1.00 42.83 O +ATOM 970 CB GLU A 122 32.039 13.619 17.007 1.00 42.39 C +ATOM 971 CG GLU A 122 32.225 12.355 17.839 1.00 43.26 C +ATOM 972 CD GLU A 122 31.240 11.244 17.481 1.00 44.45 C +ATOM 973 OE1 GLU A 122 30.049 11.544 17.254 1.00 45.15 O +ATOM 974 OE2 GLU A 122 31.649 10.062 17.443 1.00 44.09 O +ATOM 975 N ILE A 123 31.784 15.502 14.272 1.00 43.39 N +ATOM 976 CA ILE A 123 30.955 16.425 13.494 1.00 43.21 C +ATOM 977 C ILE A 123 30.746 15.817 12.111 1.00 43.62 C +ATOM 978 O ILE A 123 29.715 16.048 11.460 1.00 43.93 O +ATOM 979 CB ILE A 123 31.607 17.816 13.370 1.00 42.86 C +ATOM 980 CG1 ILE A 123 31.367 18.607 14.655 1.00 43.09 C +ATOM 981 CG2 ILE A 123 31.021 18.569 12.173 1.00 42.74 C +ATOM 982 CD1 ILE A 123 32.145 19.891 14.721 1.00 43.91 C +ATOM 983 N ALA A 124 31.730 15.039 11.666 1.00 43.18 N +ATOM 984 CA ALA A 124 31.636 14.352 10.391 1.00 42.72 C +ATOM 985 C ALA A 124 30.582 13.267 10.528 1.00 42.65 C +ATOM 986 O ALA A 124 29.701 13.171 9.693 1.00 42.91 O +ATOM 987 CB ALA A 124 32.968 13.739 10.031 1.00 42.53 C +ATOM 988 N LEU A 125 30.665 12.463 11.589 1.00 42.90 N +ATOM 989 CA LEU A 125 29.704 11.375 11.834 1.00 43.43 C +ATOM 990 C LEU A 125 28.282 11.895 11.884 1.00 44.01 C +ATOM 991 O LEU A 125 27.410 11.354 11.224 1.00 43.89 O +ATOM 992 CB LEU A 125 30.019 10.654 13.155 1.00 42.76 C +ATOM 993 CG LEU A 125 29.030 9.604 13.678 1.00 42.89 C +ATOM 994 CD1 LEU A 125 28.914 8.466 12.670 1.00 41.68 C +ATOM 995 CD2 LEU A 125 29.477 9.092 15.057 1.00 42.53 C +ATOM 996 N TRP A 126 28.041 12.940 12.660 1.00 44.80 N +ATOM 997 CA TRP A 126 26.703 13.453 12.753 1.00 45.81 C +ATOM 998 C TRP A 126 26.290 14.130 11.481 1.00 46.70 C +ATOM 999 O TRP A 126 25.110 14.088 11.143 1.00 47.31 O +ATOM 1000 CB TRP A 126 26.592 14.387 13.941 1.00 46.55 C +ATOM 1001 CG TRP A 126 26.599 13.630 15.210 1.00 47.46 C +ATOM 1002 CD1 TRP A 126 27.573 13.622 16.159 1.00 48.65 C +ATOM 1003 CD2 TRP A 126 25.596 12.721 15.658 1.00 48.52 C +ATOM 1004 NE1 TRP A 126 27.244 12.762 17.176 1.00 48.83 N +ATOM 1005 CE2 TRP A 126 26.032 12.194 16.892 1.00 48.85 C +ATOM 1006 CE3 TRP A 126 24.370 12.297 15.135 1.00 48.91 C +ATOM 1007 CZ2 TRP A 126 25.285 11.263 17.613 1.00 48.99 C +ATOM 1008 CZ3 TRP A 126 23.628 11.375 15.850 1.00 49.22 C +ATOM 1009 CH2 TRP A 126 24.089 10.867 17.078 1.00 49.45 C +ATOM 1010 N SER A 127 27.223 14.749 10.767 1.00 47.12 N +ATOM 1011 CA SER A 127 26.855 15.402 9.517 1.00 47.34 C +ATOM 1012 C SER A 127 26.419 14.344 8.515 1.00 48.12 C +ATOM 1013 O SER A 127 25.696 14.666 7.577 1.00 49.19 O +ATOM 1014 CB SER A 127 28.020 16.218 8.954 1.00 47.10 C +ATOM 1015 OG SER A 127 28.178 17.438 9.655 1.00 48.59 O +ATOM 1016 N LEU A 128 26.842 13.095 8.717 1.00 48.32 N +ATOM 1017 CA LEU A 128 26.466 11.988 7.825 1.00 49.32 C +ATOM 1018 C LEU A 128 25.049 11.524 8.102 1.00 50.35 C +ATOM 1019 O LEU A 128 24.365 11.079 7.187 1.00 51.17 O +ATOM 1020 CB LEU A 128 27.412 10.803 7.991 1.00 48.11 C +ATOM 1021 CG LEU A 128 28.738 10.996 7.270 1.00 48.21 C +ATOM 1022 CD1 LEU A 128 29.651 9.812 7.537 1.00 48.03 C +ATOM 1023 CD2 LEU A 128 28.465 11.159 5.775 1.00 48.66 C +ATOM 1024 N VAL A 129 24.618 11.600 9.359 1.00 51.25 N +ATOM 1025 CA VAL A 129 23.264 11.197 9.709 1.00 51.63 C +ATOM 1026 C VAL A 129 22.305 12.220 9.100 1.00 52.12 C +ATOM 1027 O VAL A 129 21.247 11.831 8.564 1.00 52.57 O +ATOM 1028 CB VAL A 129 23.074 11.126 11.249 1.00 51.51 C +ATOM 1029 CG1 VAL A 129 21.662 10.683 11.568 1.00 51.58 C +ATOM 1030 CG2 VAL A 129 24.064 10.153 11.860 1.00 50.68 C +ATOM 1031 N VAL A 130 22.679 13.504 9.166 1.00 51.71 N +ATOM 1032 CA VAL A 130 21.869 14.585 8.602 1.00 51.70 C +ATOM 1033 C VAL A 130 21.708 14.342 7.099 1.00 52.97 C +ATOM 1034 O VAL A 130 20.589 14.379 6.573 1.00 54.22 O +ATOM 1035 CB VAL A 130 22.531 15.967 8.850 1.00 50.24 C +ATOM 1036 CG1 VAL A 130 21.680 17.080 8.282 1.00 49.12 C +ATOM 1037 CG2 VAL A 130 22.725 16.172 10.335 1.00 49.81 C +ATOM 1038 N LEU A 131 22.815 14.076 6.413 1.00 53.22 N +ATOM 1039 CA LEU A 131 22.770 13.806 4.983 1.00 53.52 C +ATOM 1040 C LEU A 131 21.883 12.582 4.723 1.00 54.15 C +ATOM 1041 O LEU A 131 21.042 12.617 3.826 1.00 54.96 O +ATOM 1042 CB LEU A 131 24.200 13.588 4.455 1.00 52.76 C +ATOM 1043 CG LEU A 131 25.024 14.818 4.033 1.00 51.84 C +ATOM 1044 CD1 LEU A 131 24.694 16.021 4.877 1.00 51.68 C +ATOM 1045 CD2 LEU A 131 26.496 14.493 4.142 1.00 51.30 C +ATOM 1046 N ALA A 132 22.059 11.518 5.505 1.00 54.47 N +ATOM 1047 CA ALA A 132 21.253 10.309 5.345 1.00 54.88 C +ATOM 1048 C ALA A 132 19.795 10.701 5.339 1.00 55.06 C +ATOM 1049 O ALA A 132 19.041 10.240 4.499 1.00 54.84 O +ATOM 1050 CB ALA A 132 21.530 9.334 6.487 1.00 54.87 C +ATOM 1051 N ILE A 133 19.405 11.555 6.274 1.00 55.24 N +ATOM 1052 CA ILE A 133 18.033 12.012 6.355 1.00 55.79 C +ATOM 1053 C ILE A 133 17.693 12.818 5.133 1.00 56.60 C +ATOM 1054 O ILE A 133 16.884 12.388 4.324 1.00 56.57 O +ATOM 1055 CB ILE A 133 17.824 12.883 7.585 1.00 56.14 C +ATOM 1056 CG1 ILE A 133 18.160 12.072 8.835 1.00 57.05 C +ATOM 1057 CG2 ILE A 133 16.412 13.426 7.609 1.00 54.70 C +ATOM 1058 CD1 ILE A 133 17.660 10.630 8.792 1.00 57.28 C +ATOM 1059 N GLU A 134 18.304 13.987 4.999 1.00 57.41 N +ATOM 1060 CA GLU A 134 18.049 14.837 3.853 1.00 58.66 C +ATOM 1061 C GLU A 134 18.027 13.981 2.618 1.00 59.20 C +ATOM 1062 O GLU A 134 17.140 14.106 1.787 1.00 59.53 O +ATOM 1063 CB GLU A 134 19.144 15.895 3.730 1.00 59.30 C +ATOM 1064 CG GLU A 134 18.834 16.994 2.714 1.00 62.04 C +ATOM 1065 CD GLU A 134 19.454 16.766 1.331 1.00 63.45 C +ATOM 1066 OE1 GLU A 134 19.438 15.613 0.837 1.00 63.77 O +ATOM 1067 OE2 GLU A 134 19.943 17.762 0.736 1.00 64.67 O +ATOM 1068 N ARG A 135 18.999 13.092 2.504 1.00 59.85 N +ATOM 1069 CA ARG A 135 19.080 12.224 1.347 1.00 60.99 C +ATOM 1070 C ARG A 135 17.793 11.452 1.208 1.00 62.72 C +ATOM 1071 O ARG A 135 17.230 11.334 0.125 1.00 63.13 O +ATOM 1072 CB ARG A 135 20.240 11.255 1.501 1.00 58.99 C +ATOM 1073 CG ARG A 135 20.580 10.566 0.220 1.00 58.39 C +ATOM 1074 CD ARG A 135 21.352 11.498 -0.715 1.00 57.44 C +ATOM 1075 NE ARG A 135 20.828 12.865 -0.770 1.00 55.17 N +ATOM 1076 CZ ARG A 135 20.351 13.447 -1.869 1.00 53.72 C +ATOM 1077 NH1 ARG A 135 20.314 12.786 -3.023 1.00 52.34 N +ATOM 1078 NH2 ARG A 135 19.929 14.701 -1.819 1.00 52.27 N +ATOM 1079 N TYR A 136 17.327 10.926 2.326 1.00 64.96 N +ATOM 1080 CA TYR A 136 16.115 10.147 2.359 1.00 66.71 C +ATOM 1081 C TYR A 136 14.938 11.005 1.993 1.00 68.26 C +ATOM 1082 O TYR A 136 14.220 10.699 1.059 1.00 69.18 O +ATOM 1083 CB TYR A 136 15.909 9.599 3.752 1.00 66.83 C +ATOM 1084 CG TYR A 136 14.685 8.763 3.837 1.00 68.42 C +ATOM 1085 CD1 TYR A 136 14.676 7.473 3.309 1.00 69.21 C +ATOM 1086 CD2 TYR A 136 13.512 9.268 4.393 1.00 68.82 C +ATOM 1087 CE1 TYR A 136 13.532 6.702 3.327 1.00 69.37 C +ATOM 1088 CE2 TYR A 136 12.357 8.512 4.415 1.00 69.00 C +ATOM 1089 CZ TYR A 136 12.377 7.225 3.878 1.00 69.81 C +ATOM 1090 OH TYR A 136 11.250 6.447 3.875 1.00 70.95 O +ATOM 1091 N VAL A 137 14.740 12.083 2.737 1.00 69.45 N +ATOM 1092 CA VAL A 137 13.622 12.979 2.503 1.00 70.90 C +ATOM 1093 C VAL A 137 13.493 13.369 1.049 1.00 73.16 C +ATOM 1094 O VAL A 137 12.384 13.562 0.586 1.00 74.16 O +ATOM 1095 CB VAL A 137 13.742 14.250 3.363 1.00 69.96 C +ATOM 1096 CG1 VAL A 137 12.711 15.271 2.956 1.00 69.37 C +ATOM 1097 CG2 VAL A 137 13.538 13.896 4.799 1.00 69.73 C +ATOM 1098 N VAL A 138 14.588 13.490 0.312 1.00 75.27 N +ATOM 1099 CA VAL A 138 14.447 13.889 -1.083 1.00 77.20 C +ATOM 1100 C VAL A 138 14.168 12.695 -1.956 1.00 79.20 C +ATOM 1101 O VAL A 138 13.284 12.769 -2.800 1.00 79.37 O +ATOM 1102 CB VAL A 138 15.698 14.610 -1.604 1.00 77.01 C +ATOM 1103 CG1 VAL A 138 15.964 15.854 -0.772 1.00 76.74 C +ATOM 1104 CG2 VAL A 138 16.888 13.673 -1.561 1.00 77.70 C +ATOM 1105 N VAL A 139 14.898 11.600 -1.757 1.00 81.49 N +ATOM 1106 CA VAL A 139 14.707 10.400 -2.568 1.00 84.18 C +ATOM 1107 C VAL A 139 13.369 9.757 -2.271 1.00 86.47 C +ATOM 1108 O VAL A 139 12.459 9.863 -3.085 1.00 87.02 O +ATOM 1109 CB VAL A 139 15.839 9.378 -2.339 1.00 83.83 C +ATOM 1110 CG1 VAL A 139 15.461 8.036 -2.925 1.00 83.60 C +ATOM 1111 CG2 VAL A 139 17.112 9.882 -2.990 1.00 84.02 C +ATOM 1112 N CYS A 140 13.233 9.102 -1.123 1.00 88.94 N +ATOM 1113 CA CYS A 140 11.970 8.459 -0.776 1.00 91.40 C +ATOM 1114 C CYS A 140 10.884 9.504 -0.448 1.00 93.23 C +ATOM 1115 O CYS A 140 9.773 9.141 -0.060 1.00 93.73 O +ATOM 1116 CB CYS A 140 12.198 7.492 0.391 1.00 90.82 C +ATOM 1117 SG CYS A 140 13.338 6.132 -0.026 1.00 91.94 S +ATOM 1118 N LYS A 141 11.217 10.783 -0.639 1.00 95.25 N +ATOM 1119 CA LYS A 141 10.338 11.948 -0.408 1.00 96.99 C +ATOM 1120 C LYS A 141 9.090 11.656 0.453 1.00 98.08 C +ATOM 1121 O LYS A 141 8.046 11.291 -0.096 1.00 98.17 O +ATOM 1122 CB LYS A 141 9.917 12.551 -1.760 1.00 96.84 C +ATOM 1123 CG LYS A 141 9.454 13.998 -1.680 1.00 97.21 C +ATOM 1124 CD LYS A 141 9.399 14.627 -3.055 1.00 97.48 C +ATOM 1125 CE LYS A 141 9.160 16.122 -2.961 1.00 97.51 C +ATOM 1126 NZ LYS A 141 9.227 16.777 -4.300 1.00 96.91 N +ATOM 1127 N PRO A 142 9.183 11.838 1.798 1.00 99.12 N +ATOM 1128 CA PRO A 142 8.106 11.619 2.785 1.00 99.61 C +ATOM 1129 C PRO A 142 6.910 12.563 2.672 1.00 99.88 C +ATOM 1130 O PRO A 142 5.779 12.140 2.923 1.00 99.96 O +ATOM 1131 CB PRO A 142 8.826 11.778 4.127 1.00 99.56 C +ATOM 1132 CG PRO A 142 10.216 11.326 3.823 1.00 99.42 C +ATOM 1133 CD PRO A 142 10.473 12.010 2.495 1.00 99.46 C +ATOM 1134 N MET A 143 7.156 13.827 2.331 1.00100.05 N +ATOM 1135 CA MET A 143 6.079 14.805 2.170 1.00100.41 C +ATOM 1136 C MET A 143 5.697 14.887 0.718 1.00100.84 C +ATOM 1137 O MET A 143 6.450 14.442 -0.150 1.00101.42 O +ATOM 1138 CB MET A 143 6.510 16.196 2.636 1.00100.50 C +ATOM 1139 CG MET A 143 6.479 16.399 4.132 1.00100.69 C +ATOM 1140 SD MET A 143 7.517 15.222 4.983 1.00101.42 S +ATOM 1141 CE MET A 143 6.259 14.100 5.656 1.00101.89 C +ATOM 1142 N SER A 144 4.534 15.462 0.447 1.00100.97 N +ATOM 1143 CA SER A 144 4.069 15.587 -0.922 1.00101.22 C +ATOM 1144 C SER A 144 4.270 17.008 -1.397 1.00101.04 C +ATOM 1145 O SER A 144 3.679 17.408 -2.405 1.00101.49 O +ATOM 1146 CB SER A 144 2.591 15.190 -1.013 1.00101.40 C +ATOM 1147 OG SER A 144 2.413 13.816 -0.689 1.00101.49 O +ATOM 1148 N ASN A 145 5.112 17.761 -0.693 1.00100.70 N +ATOM 1149 CA ASN A 145 5.369 19.151 -1.060 1.00100.38 C +ATOM 1150 C ASN A 145 6.400 19.775 -0.136 1.00 99.21 C +ATOM 1151 O ASN A 145 6.288 20.967 0.175 1.00 99.38 O +ATOM 1152 CB ASN A 145 4.062 19.954 -0.981 1.00101.29 C +ATOM 1153 CG ASN A 145 3.403 19.856 0.390 1.00102.01 C +ATOM 1154 OD1 ASN A 145 3.073 18.758 0.861 1.00102.48 O +ATOM 1155 ND2 ASN A 145 3.213 21.003 1.040 1.00102.69 N +ATOM 1156 N PHE A 146 7.404 19.004 0.288 1.00 97.81 N +ATOM 1157 CA PHE A 146 8.420 19.536 1.197 1.00 96.14 C +ATOM 1158 C PHE A 146 9.783 19.747 0.532 1.00 94.78 C +ATOM 1159 O PHE A 146 10.156 19.021 -0.401 1.00 94.72 O +ATOM 1160 CB PHE A 146 8.599 18.618 2.404 1.00 95.57 C +ATOM 1161 CG PHE A 146 9.640 19.102 3.374 1.00 95.18 C +ATOM 1162 CD1 PHE A 146 9.388 20.199 4.197 1.00 94.82 C +ATOM 1163 CD2 PHE A 146 10.892 18.488 3.437 1.00 94.73 C +ATOM 1164 CE1 PHE A 146 10.369 20.676 5.069 1.00 94.61 C +ATOM 1165 CE2 PHE A 146 11.879 18.958 4.302 1.00 94.46 C +ATOM 1166 CZ PHE A 146 11.616 20.053 5.120 1.00 94.59 C +ATOM 1167 N ARG A 147 10.523 20.733 1.054 1.00 93.40 N +ATOM 1168 CA ARG A 147 11.858 21.103 0.570 1.00 91.65 C +ATOM 1169 C ARG A 147 12.668 21.744 1.705 1.00 89.75 C +ATOM 1170 O ARG A 147 12.159 22.633 2.415 1.00 89.82 O +ATOM 1171 CB ARG A 147 11.741 22.102 -0.585 1.00 92.44 C +ATOM 1172 CG ARG A 147 13.067 22.497 -1.224 1.00 93.48 C +ATOM 1173 CD ARG A 147 12.894 23.730 -2.112 1.00 94.08 C +ATOM 1174 NE ARG A 147 12.633 24.944 -1.335 1.00 94.29 N +ATOM 1175 CZ ARG A 147 12.365 26.144 -1.858 1.00 94.74 C +ATOM 1176 NH1 ARG A 147 12.314 26.312 -3.177 1.00 95.15 N +ATOM 1177 NH2 ARG A 147 12.157 27.188 -1.059 1.00 95.10 N +ATOM 1178 N PHE A 148 13.918 21.305 1.859 1.00 87.00 N +ATOM 1179 CA PHE A 148 14.805 21.820 2.896 1.00 84.02 C +ATOM 1180 C PHE A 148 15.227 23.241 2.602 1.00 82.72 C +ATOM 1181 O PHE A 148 15.880 23.485 1.595 1.00 82.75 O +ATOM 1182 CB PHE A 148 16.050 20.945 3.000 1.00 82.66 C +ATOM 1183 CG PHE A 148 15.789 19.603 3.589 1.00 81.45 C +ATOM 1184 CD1 PHE A 148 15.522 19.472 4.941 1.00 80.94 C +ATOM 1185 CD2 PHE A 148 15.786 18.468 2.793 1.00 81.08 C +ATOM 1186 CE1 PHE A 148 15.252 18.229 5.491 1.00 80.55 C +ATOM 1187 CE2 PHE A 148 15.517 17.218 3.338 1.00 80.54 C +ATOM 1188 CZ PHE A 148 15.249 17.100 4.686 1.00 80.39 C +ATOM 1189 N GLY A 149 14.850 24.177 3.466 1.00 81.06 N +ATOM 1190 CA GLY A 149 15.264 25.550 3.266 1.00 79.46 C +ATOM 1191 C GLY A 149 16.660 25.675 3.851 1.00 78.41 C +ATOM 1192 O GLY A 149 17.214 24.699 4.361 1.00 78.17 O +ATOM 1193 N GLU A 150 17.245 26.863 3.777 1.00 77.39 N +ATOM 1194 CA GLU A 150 18.574 27.074 4.328 1.00 76.58 C +ATOM 1195 C GLU A 150 18.506 26.996 5.828 1.00 76.22 C +ATOM 1196 O GLU A 150 19.483 26.681 6.503 1.00 75.79 O +ATOM 1197 CB GLU A 150 19.101 28.426 3.878 1.00 76.16 C +ATOM 1198 CG GLU A 150 19.810 28.329 2.553 1.00 77.26 C +ATOM 1199 CD GLU A 150 19.896 29.647 1.844 1.00 77.98 C +ATOM 1200 OE1 GLU A 150 20.184 30.670 2.500 1.00 78.02 O +ATOM 1201 OE2 GLU A 150 19.680 29.652 0.616 1.00 78.87 O +ATOM 1202 N ASN A 151 17.328 27.283 6.347 1.00 75.89 N +ATOM 1203 CA ASN A 151 17.094 27.227 7.770 1.00 75.16 C +ATOM 1204 C ASN A 151 17.369 25.808 8.240 1.00 74.38 C +ATOM 1205 O ASN A 151 18.169 25.611 9.156 1.00 74.46 O +ATOM 1206 CB ASN A 151 15.647 27.658 8.050 1.00 75.35 C +ATOM 1207 CG ASN A 151 14.642 27.002 7.103 1.00 76.63 C +ATOM 1208 OD1 ASN A 151 14.849 26.943 5.886 1.00 76.88 O +ATOM 1209 ND2 ASN A 151 13.535 26.521 7.663 1.00 77.13 N +ATOM 1210 N HIS A 152 16.736 24.831 7.595 1.00 73.12 N +ATOM 1211 CA HIS A 152 16.915 23.420 7.940 1.00 71.68 C +ATOM 1212 C HIS A 152 18.384 23.089 7.922 1.00 70.22 C +ATOM 1213 O HIS A 152 18.886 22.516 8.875 1.00 70.27 O +ATOM 1214 CB HIS A 152 16.183 22.521 6.936 1.00 72.39 C +ATOM 1215 CG HIS A 152 14.735 22.867 6.753 1.00 73.57 C +ATOM 1216 ND1 HIS A 152 13.981 22.392 5.699 1.00 74.39 N +ATOM 1217 CD2 HIS A 152 13.908 23.661 7.477 1.00 73.66 C +ATOM 1218 CE1 HIS A 152 12.755 22.883 5.779 1.00 74.26 C +ATOM 1219 NE2 HIS A 152 12.685 23.656 6.849 1.00 73.63 N +ATOM 1220 N ALA A 153 19.069 23.452 6.843 1.00 67.95 N +ATOM 1221 CA ALA A 153 20.493 23.187 6.718 1.00 65.40 C +ATOM 1222 C ALA A 153 21.223 23.716 7.934 1.00 63.87 C +ATOM 1223 O ALA A 153 22.113 23.061 8.474 1.00 63.31 O +ATOM 1224 CB ALA A 153 21.022 23.839 5.462 1.00 65.67 C +ATOM 1225 N ILE A 154 20.842 24.902 8.368 1.00 62.32 N +ATOM 1226 CA ILE A 154 21.464 25.505 9.521 1.00 61.08 C +ATOM 1227 C ILE A 154 21.033 24.755 10.761 1.00 61.03 C +ATOM 1228 O ILE A 154 21.677 24.812 11.791 1.00 60.59 O +ATOM 1229 CB ILE A 154 21.075 26.969 9.586 1.00 60.18 C +ATOM 1230 CG1 ILE A 154 21.396 27.614 8.242 1.00 59.07 C +ATOM 1231 CG2 ILE A 154 21.847 27.661 10.670 1.00 59.33 C +ATOM 1232 CD1 ILE A 154 20.961 29.022 8.114 1.00 58.93 C +ATOM 1233 N MET A 155 19.935 24.032 10.652 1.00 61.38 N +ATOM 1234 CA MET A 155 19.456 23.248 11.771 1.00 62.15 C +ATOM 1235 C MET A 155 20.309 22.042 11.889 1.00 60.64 C +ATOM 1236 O MET A 155 20.801 21.744 12.961 1.00 60.98 O +ATOM 1237 CB MET A 155 18.011 22.818 11.546 1.00 65.38 C +ATOM 1238 CG MET A 155 17.064 23.980 11.540 1.00 70.33 C +ATOM 1239 SD MET A 155 17.322 24.921 13.062 1.00 77.54 S +ATOM 1240 CE MET A 155 18.672 26.152 12.569 1.00 75.92 C +ATOM 1241 N GLY A 156 20.474 21.343 10.776 1.00 58.70 N +ATOM 1242 CA GLY A 156 21.287 20.154 10.771 1.00 56.37 C +ATOM 1243 C GLY A 156 22.675 20.530 11.221 1.00 55.30 C +ATOM 1244 O GLY A 156 23.258 19.860 12.065 1.00 55.43 O +ATOM 1245 N VAL A 157 23.202 21.621 10.682 1.00 53.65 N +ATOM 1246 CA VAL A 157 24.540 22.029 11.061 1.00 51.87 C +ATOM 1247 C VAL A 157 24.626 22.297 12.537 1.00 51.60 C +ATOM 1248 O VAL A 157 25.591 21.899 13.165 1.00 51.75 O +ATOM 1249 CB VAL A 157 24.988 23.262 10.291 1.00 51.25 C +ATOM 1250 CG1 VAL A 157 26.203 23.881 10.962 1.00 49.29 C +ATOM 1251 CG2 VAL A 157 25.320 22.861 8.867 1.00 50.26 C +ATOM 1252 N ALA A 158 23.628 22.962 13.096 1.00 51.63 N +ATOM 1253 CA ALA A 158 23.628 23.267 14.526 1.00 51.00 C +ATOM 1254 C ALA A 158 23.559 21.974 15.325 1.00 50.68 C +ATOM 1255 O ALA A 158 24.129 21.864 16.406 1.00 50.15 O +ATOM 1256 CB ALA A 158 22.431 24.150 14.858 1.00 50.64 C +ATOM 1257 N PHE A 159 22.855 21.000 14.772 1.00 50.67 N +ATOM 1258 CA PHE A 159 22.656 19.711 15.406 1.00 51.09 C +ATOM 1259 C PHE A 159 23.954 18.937 15.488 1.00 51.73 C +ATOM 1260 O PHE A 159 24.227 18.290 16.505 1.00 52.69 O +ATOM 1261 CB PHE A 159 21.611 18.930 14.602 1.00 50.41 C +ATOM 1262 CG PHE A 159 21.635 17.445 14.832 1.00 49.87 C +ATOM 1263 CD1 PHE A 159 21.179 16.898 16.018 1.00 50.33 C +ATOM 1264 CD2 PHE A 159 22.106 16.588 13.846 1.00 50.31 C +ATOM 1265 CE1 PHE A 159 21.189 15.515 16.218 1.00 50.73 C +ATOM 1266 CE2 PHE A 159 22.119 15.206 14.038 1.00 49.91 C +ATOM 1267 CZ PHE A 159 21.659 14.672 15.226 1.00 50.32 C +ATOM 1268 N THR A 160 24.752 18.990 14.430 1.00 51.95 N +ATOM 1269 CA THR A 160 26.001 18.252 14.420 1.00 51.81 C +ATOM 1270 C THR A 160 26.926 18.764 15.504 1.00 51.94 C +ATOM 1271 O THR A 160 27.655 17.963 16.086 1.00 52.70 O +ATOM 1272 CB THR A 160 26.708 18.343 13.052 1.00 52.08 C +ATOM 1273 OG1 THR A 160 27.057 19.704 12.777 1.00 52.82 O +ATOM 1274 CG2 THR A 160 25.810 17.821 11.955 1.00 51.87 C +ATOM 1275 N TRP A 161 26.898 20.068 15.790 1.00 51.07 N +ATOM 1276 CA TRP A 161 27.763 20.645 16.824 1.00 49.93 C +ATOM 1277 C TRP A 161 27.278 20.353 18.221 1.00 50.63 C +ATOM 1278 O TRP A 161 28.080 20.335 19.149 1.00 51.33 O +ATOM 1279 CB TRP A 161 27.866 22.144 16.679 1.00 47.98 C +ATOM 1280 CG TRP A 161 28.771 22.538 15.627 1.00 46.06 C +ATOM 1281 CD1 TRP A 161 28.479 22.671 14.301 1.00 45.75 C +ATOM 1282 CD2 TRP A 161 30.154 22.860 15.778 1.00 45.35 C +ATOM 1283 NE1 TRP A 161 29.602 23.066 13.613 1.00 45.76 N +ATOM 1284 CE2 TRP A 161 30.647 23.189 14.495 1.00 45.47 C +ATOM 1285 CE3 TRP A 161 31.029 22.902 16.872 1.00 44.44 C +ATOM 1286 CZ2 TRP A 161 31.988 23.563 14.274 1.00 44.87 C +ATOM 1287 CZ3 TRP A 161 32.364 23.275 16.654 1.00 44.19 C +ATOM 1288 CH2 TRP A 161 32.827 23.601 15.360 1.00 44.21 C +ATOM 1289 N VAL A 162 25.979 20.166 18.402 1.00 50.34 N +ATOM 1290 CA VAL A 162 25.492 19.853 19.726 1.00 49.67 C +ATOM 1291 C VAL A 162 25.884 18.429 20.015 1.00 50.07 C +ATOM 1292 O VAL A 162 26.432 18.137 21.073 1.00 49.94 O +ATOM 1293 CB VAL A 162 23.982 19.988 19.786 1.00 49.30 C +ATOM 1294 CG1 VAL A 162 23.489 19.628 21.155 1.00 48.29 C +ATOM 1295 CG2 VAL A 162 23.592 21.404 19.422 1.00 49.06 C +ATOM 1296 N MET A 163 25.637 17.551 19.049 1.00 49.90 N +ATOM 1297 CA MET A 163 25.950 16.138 19.205 1.00 50.69 C +ATOM 1298 C MET A 163 27.428 15.904 19.382 1.00 50.67 C +ATOM 1299 O MET A 163 27.811 15.115 20.232 1.00 51.31 O +ATOM 1300 CB MET A 163 25.460 15.351 17.995 1.00 51.15 C +ATOM 1301 CG MET A 163 23.969 15.433 17.789 1.00 53.03 C +ATOM 1302 SD MET A 163 23.114 15.106 19.346 1.00 54.85 S +ATOM 1303 CE MET A 163 23.521 13.367 19.596 1.00 54.03 C +ATOM 1304 N ALA A 164 28.248 16.583 18.587 1.00 50.10 N +ATOM 1305 CA ALA A 164 29.692 16.415 18.646 1.00 49.70 C +ATOM 1306 C ALA A 164 30.241 16.946 19.940 1.00 49.68 C +ATOM 1307 O ALA A 164 31.168 16.350 20.496 1.00 49.84 O +ATOM 1308 CB ALA A 164 30.339 17.122 17.478 1.00 49.80 C +ATOM 1309 N LEU A 165 29.694 18.064 20.412 1.00 49.26 N +ATOM 1310 CA LEU A 165 30.136 18.676 21.668 1.00 48.67 C +ATOM 1311 C LEU A 165 29.749 17.765 22.823 1.00 48.90 C +ATOM 1312 O LEU A 165 30.493 17.645 23.806 1.00 49.30 O +ATOM 1313 CB LEU A 165 29.475 20.054 21.867 1.00 48.34 C +ATOM 1314 CG LEU A 165 30.150 21.363 21.437 1.00 46.62 C +ATOM 1315 CD1 LEU A 165 31.448 21.542 22.180 1.00 47.34 C +ATOM 1316 CD2 LEU A 165 30.410 21.358 19.975 1.00 47.54 C +ATOM 1317 N ALA A 166 28.587 17.131 22.696 1.00 48.39 N +ATOM 1318 CA ALA A 166 28.072 16.231 23.716 1.00 48.49 C +ATOM 1319 C ALA A 166 29.048 15.103 23.951 1.00 48.71 C +ATOM 1320 O ALA A 166 29.078 14.491 25.009 1.00 49.40 O +ATOM 1321 CB ALA A 166 26.734 15.670 23.267 1.00 48.51 C +ATOM 1322 N CYS A 167 29.869 14.832 22.961 1.00 48.58 N +ATOM 1323 CA CYS A 167 30.798 13.745 23.079 1.00 48.67 C +ATOM 1324 C CYS A 167 32.197 14.249 23.365 1.00 47.54 C +ATOM 1325 O CYS A 167 32.901 13.674 24.187 1.00 48.01 O +ATOM 1326 CB CYS A 167 30.758 12.958 21.773 1.00 50.36 C +ATOM 1327 SG CYS A 167 31.891 11.577 21.692 1.00 57.46 S +ATOM 1328 N ALA A 168 32.589 15.341 22.728 1.00 45.83 N +ATOM 1329 CA ALA A 168 33.949 15.838 22.878 1.00 44.72 C +ATOM 1330 C ALA A 168 34.193 16.692 24.106 1.00 43.65 C +ATOM 1331 O ALA A 168 35.280 16.618 24.685 1.00 42.95 O +ATOM 1332 CB ALA A 168 34.348 16.603 21.612 1.00 44.62 C +ATOM 1333 N ALA A 169 33.218 17.488 24.515 1.00 42.87 N +ATOM 1334 CA ALA A 169 33.419 18.382 25.646 1.00 42.10 C +ATOM 1335 C ALA A 169 33.424 17.693 27.039 1.00 41.82 C +ATOM 1336 O ALA A 169 34.183 18.121 27.931 1.00 41.90 O +ATOM 1337 CB ALA A 169 32.379 19.490 25.591 1.00 42.54 C +ATOM 1338 N PRO A 170 32.608 16.640 27.251 1.00 41.12 N +ATOM 1339 CA PRO A 170 32.605 15.991 28.569 1.00 39.82 C +ATOM 1340 C PRO A 170 33.964 15.691 29.159 1.00 40.31 C +ATOM 1341 O PRO A 170 34.200 15.999 30.303 1.00 41.21 O +ATOM 1342 CB PRO A 170 31.797 14.721 28.336 1.00 40.50 C +ATOM 1343 CG PRO A 170 30.870 15.102 27.234 1.00 40.56 C +ATOM 1344 CD PRO A 170 31.735 15.921 26.307 1.00 41.38 C +ATOM 1345 N PRO A 171 34.875 15.077 28.393 1.00 40.95 N +ATOM 1346 CA PRO A 171 36.227 14.744 28.884 1.00 41.03 C +ATOM 1347 C PRO A 171 37.085 15.909 29.411 1.00 41.77 C +ATOM 1348 O PRO A 171 38.118 15.684 30.074 1.00 41.77 O +ATOM 1349 CB PRO A 171 36.868 14.056 27.676 1.00 41.01 C +ATOM 1350 CG PRO A 171 35.684 13.389 26.997 1.00 40.91 C +ATOM 1351 CD PRO A 171 34.636 14.475 27.065 1.00 40.85 C +ATOM 1352 N LEU A 172 36.662 17.136 29.119 1.00 41.95 N +ATOM 1353 CA LEU A 172 37.382 18.342 29.549 1.00 41.73 C +ATOM 1354 C LEU A 172 36.850 18.819 30.889 1.00 42.15 C +ATOM 1355 O LEU A 172 37.453 19.715 31.512 1.00 42.03 O +ATOM 1356 CB LEU A 172 37.164 19.470 28.543 1.00 39.83 C +ATOM 1357 CG LEU A 172 37.552 19.222 27.102 1.00 38.70 C +ATOM 1358 CD1 LEU A 172 37.045 20.367 26.264 1.00 37.69 C +ATOM 1359 CD2 LEU A 172 39.041 19.077 26.993 1.00 36.98 C +ATOM 1360 N VAL A 173 35.746 18.219 31.337 1.00 42.45 N +ATOM 1361 CA VAL A 173 35.089 18.649 32.573 1.00 42.52 C +ATOM 1362 C VAL A 173 34.743 17.517 33.555 1.00 43.16 C +ATOM 1363 O VAL A 173 33.668 17.567 34.176 1.00 43.48 O +ATOM 1364 CB VAL A 173 33.807 19.434 32.211 1.00 41.55 C +ATOM 1365 CG1 VAL A 173 34.182 20.614 31.359 1.00 39.95 C +ATOM 1366 CG2 VAL A 173 32.823 18.536 31.452 1.00 39.88 C +ATOM 1367 N GLY A 174 35.602 16.508 33.693 1.00 43.12 N +ATOM 1368 CA GLY A 174 35.317 15.464 34.661 1.00 42.21 C +ATOM 1369 C GLY A 174 34.663 14.163 34.257 1.00 42.40 C +ATOM 1370 O GLY A 174 34.508 13.280 35.113 1.00 43.45 O +ATOM 1371 N TRP A 175 34.237 14.023 33.008 1.00 41.81 N +ATOM 1372 CA TRP A 175 33.659 12.754 32.604 1.00 41.74 C +ATOM 1373 C TRP A 175 34.600 12.145 31.618 1.00 42.81 C +ATOM 1374 O TRP A 175 34.651 12.595 30.477 1.00 44.24 O +ATOM 1375 CB TRP A 175 32.287 12.910 31.975 1.00 40.47 C +ATOM 1376 CG TRP A 175 31.582 11.586 31.932 1.00 39.79 C +ATOM 1377 CD1 TRP A 175 31.874 10.486 32.688 1.00 40.04 C +ATOM 1378 CD2 TRP A 175 30.448 11.232 31.132 1.00 39.24 C +ATOM 1379 NE1 TRP A 175 30.993 9.471 32.410 1.00 39.56 N +ATOM 1380 CE2 TRP A 175 30.107 9.902 31.460 1.00 39.50 C +ATOM 1381 CE3 TRP A 175 29.689 11.909 30.171 1.00 38.45 C +ATOM 1382 CZ2 TRP A 175 29.037 9.235 30.862 1.00 39.21 C +ATOM 1383 CZ3 TRP A 175 28.632 11.248 29.577 1.00 39.17 C +ATOM 1384 CH2 TRP A 175 28.313 9.922 29.925 1.00 38.83 C +ATOM 1385 N SER A 176 35.311 11.100 32.053 1.00 42.67 N +ATOM 1386 CA SER A 176 36.347 10.465 31.255 1.00 41.40 C +ATOM 1387 C SER A 176 37.414 11.519 31.147 1.00 41.23 C +ATOM 1388 O SER A 176 37.366 12.483 31.914 1.00 41.58 O +ATOM 1389 CB SER A 176 35.859 10.079 29.863 1.00 41.73 C +ATOM 1390 OG SER A 176 36.951 9.609 29.076 1.00 40.77 O +ATOM 1391 N ARG A 177 38.350 11.384 30.216 1.00 40.19 N +ATOM 1392 CA ARG A 177 39.414 12.381 30.079 1.00 39.67 C +ATOM 1393 C ARG A 177 40.251 12.049 28.864 1.00 39.46 C +ATOM 1394 O ARG A 177 40.140 10.938 28.349 1.00 40.15 O +ATOM 1395 CB ARG A 177 40.310 12.381 31.329 1.00 38.73 C +ATOM 1396 CG ARG A 177 40.951 11.026 31.600 1.00 39.05 C +ATOM 1397 CD ARG A 177 41.836 10.996 32.834 1.00 40.05 C +ATOM 1398 NE ARG A 177 42.356 9.645 33.055 1.00 40.95 N +ATOM 1399 CZ ARG A 177 43.162 9.286 34.057 1.00 42.57 C +ATOM 1400 NH1 ARG A 177 43.560 10.179 34.963 1.00 43.16 N +ATOM 1401 NH2 ARG A 177 43.580 8.022 34.154 1.00 41.61 N +ATOM 1402 N TYR A 178 41.059 13.002 28.393 1.00 38.66 N +ATOM 1403 CA TYR A 178 41.936 12.759 27.251 1.00 37.45 C +ATOM 1404 C TYR A 178 43.287 12.313 27.807 1.00 37.58 C +ATOM 1405 O TYR A 178 43.781 12.855 28.804 1.00 36.71 O +ATOM 1406 CB TYR A 178 42.065 14.015 26.366 1.00 37.70 C +ATOM 1407 CG TYR A 178 40.809 14.338 25.570 1.00 36.91 C +ATOM 1408 CD1 TYR A 178 40.375 13.501 24.541 1.00 36.51 C +ATOM 1409 CD2 TYR A 178 40.020 15.446 25.894 1.00 37.15 C +ATOM 1410 CE1 TYR A 178 39.187 13.751 23.859 1.00 36.72 C +ATOM 1411 CE2 TYR A 178 38.819 15.710 25.215 1.00 36.95 C +ATOM 1412 CZ TYR A 178 38.410 14.855 24.202 1.00 36.97 C +ATOM 1413 OH TYR A 178 37.214 15.094 23.557 1.00 37.15 O +ATOM 1414 N ILE A 179 43.876 11.322 27.155 1.00 37.51 N +ATOM 1415 CA ILE A 179 45.117 10.728 27.610 1.00 36.95 C +ATOM 1416 C ILE A 179 45.941 10.359 26.375 1.00 37.42 C +ATOM 1417 O ILE A 179 45.396 9.942 25.361 1.00 37.79 O +ATOM 1418 CB ILE A 179 44.756 9.481 28.483 1.00 36.62 C +ATOM 1419 CG1 ILE A 179 45.918 9.041 29.356 1.00 37.83 C +ATOM 1420 CG2 ILE A 179 44.303 8.329 27.600 1.00 36.72 C +ATOM 1421 CD1 ILE A 179 45.514 7.891 30.327 1.00 38.26 C +ATOM 1422 N PRO A 180 47.263 10.535 26.433 1.00 38.16 N +ATOM 1423 CA PRO A 180 48.078 10.194 25.260 1.00 38.06 C +ATOM 1424 C PRO A 180 48.011 8.711 24.827 1.00 38.53 C +ATOM 1425 O PRO A 180 47.844 7.862 25.669 1.00 38.73 O +ATOM 1426 CB PRO A 180 49.465 10.674 25.680 1.00 37.57 C +ATOM 1427 CG PRO A 180 49.392 10.686 27.212 1.00 37.02 C +ATOM 1428 CD PRO A 180 48.056 11.187 27.490 1.00 36.72 C +ATOM 1429 N GLU A 181 48.138 8.417 23.528 1.00 39.65 N +ATOM 1430 CA GLU A 181 48.053 7.029 23.009 1.00 40.66 C +ATOM 1431 C GLU A 181 49.204 6.657 22.044 1.00 40.48 C +ATOM 1432 O GLU A 181 49.820 7.538 21.435 1.00 40.85 O +ATOM 1433 CB GLU A 181 46.744 6.806 22.239 1.00 42.11 C +ATOM 1434 CG GLU A 181 45.458 7.265 22.882 1.00 45.12 C +ATOM 1435 CD GLU A 181 44.271 6.967 21.995 1.00 47.26 C +ATOM 1436 OE1 GLU A 181 43.873 5.794 21.903 1.00 47.86 O +ATOM 1437 OE2 GLU A 181 43.746 7.899 21.363 1.00 48.43 O +ATOM 1438 N GLY A 182 49.441 5.350 21.874 1.00 39.75 N +ATOM 1439 CA GLY A 182 50.482 4.889 20.977 1.00 39.66 C +ATOM 1440 C GLY A 182 51.850 5.364 21.407 1.00 40.26 C +ATOM 1441 O GLY A 182 52.271 5.087 22.520 1.00 40.55 O +ATOM 1442 N MET A 183 52.549 6.084 20.533 1.00 40.32 N +ATOM 1443 CA MET A 183 53.877 6.600 20.884 1.00 41.48 C +ATOM 1444 C MET A 183 53.762 7.802 21.808 1.00 41.05 C +ATOM 1445 O MET A 183 54.766 8.469 22.090 1.00 41.23 O +ATOM 1446 CB MET A 183 54.665 6.961 19.625 1.00 41.95 C +ATOM 1447 CG MET A 183 55.354 5.747 19.014 1.00 42.24 C +ATOM 1448 SD MET A 183 55.964 6.014 17.365 1.00 43.88 S +ATOM 1449 CE MET A 183 54.817 5.069 16.464 1.00 42.17 C +ATOM 1450 N GLN A 184 52.531 8.064 22.252 1.00 40.09 N +ATOM 1451 CA GLN A 184 52.197 9.141 23.179 1.00 39.51 C +ATOM 1452 C GLN A 184 52.287 10.527 22.557 1.00 39.04 C +ATOM 1453 O GLN A 184 52.568 11.477 23.273 1.00 38.97 O +ATOM 1454 CB GLN A 184 53.107 9.042 24.407 1.00 39.27 C +ATOM 1455 CG GLN A 184 53.196 7.626 25.021 1.00 37.25 C +ATOM 1456 CD GLN A 184 51.930 7.198 25.732 1.00 36.81 C +ATOM 1457 OE1 GLN A 184 51.589 7.724 26.789 1.00 36.30 O +ATOM 1458 NE2 GLN A 184 51.226 6.239 25.151 1.00 35.29 N +ATOM 1459 N CYS A 185 52.028 10.654 21.256 1.00 38.61 N +ATOM 1460 CA CYS A 185 52.097 11.948 20.595 1.00 38.03 C +ATOM 1461 C CYS A 185 50.740 12.400 20.162 1.00 37.83 C +ATOM 1462 O CYS A 185 50.600 13.481 19.574 1.00 36.34 O +ATOM 1463 CB CYS A 185 53.061 11.874 19.429 1.00 39.82 C +ATOM 1464 SG CYS A 185 54.756 11.764 20.042 1.00 44.32 S +ATOM 1465 N SER A 186 49.739 11.569 20.459 1.00 38.12 N +ATOM 1466 CA SER A 186 48.334 11.856 20.169 1.00 38.51 C +ATOM 1467 C SER A 186 47.545 11.636 21.453 1.00 39.02 C +ATOM 1468 O SER A 186 48.055 11.015 22.393 1.00 38.21 O +ATOM 1469 CB SER A 186 47.786 10.961 19.033 1.00 38.94 C +ATOM 1470 OG SER A 186 47.746 9.581 19.361 1.00 40.47 O +ATOM 1471 N CYS A 187 46.323 12.153 21.511 1.00 39.54 N +ATOM 1472 CA CYS A 187 45.500 11.992 22.704 1.00 40.74 C +ATOM 1473 C CYS A 187 44.072 11.598 22.366 1.00 41.86 C +ATOM 1474 O CYS A 187 43.460 12.189 21.477 1.00 42.52 O +ATOM 1475 CB CYS A 187 45.531 13.284 23.537 1.00 40.72 C +ATOM 1476 SG CYS A 187 46.922 13.230 24.703 1.00 42.97 S +ATOM 1477 N GLY A 188 43.555 10.598 23.075 1.00 41.88 N +ATOM 1478 CA GLY A 188 42.189 10.145 22.862 1.00 42.02 C +ATOM 1479 C GLY A 188 41.430 9.980 24.172 1.00 42.54 C +ATOM 1480 O GLY A 188 41.866 10.475 25.207 1.00 43.28 O +ATOM 1481 N ILE A 189 40.278 9.305 24.135 1.00 42.41 N +ATOM 1482 CA ILE A 189 39.457 9.085 25.338 1.00 42.29 C +ATOM 1483 C ILE A 189 40.150 8.038 26.214 1.00 43.31 C +ATOM 1484 O ILE A 189 41.098 7.422 25.742 1.00 44.00 O +ATOM 1485 CB ILE A 189 38.010 8.626 24.941 1.00 41.27 C +ATOM 1486 CG1 ILE A 189 37.301 9.745 24.155 1.00 40.78 C +ATOM 1487 CG2 ILE A 189 37.210 8.244 26.174 1.00 40.68 C +ATOM 1488 CD1 ILE A 189 37.221 11.092 24.870 1.00 39.65 C +ATOM 1489 N ASP A 190 39.713 7.813 27.454 1.00 43.60 N +ATOM 1490 CA ASP A 190 40.406 6.828 28.296 1.00 44.53 C +ATOM 1491 C ASP A 190 39.777 5.414 28.272 1.00 44.73 C +ATOM 1492 O ASP A 190 38.776 5.170 28.976 1.00 45.25 O +ATOM 1493 CB ASP A 190 40.478 7.325 29.736 1.00 46.44 C +ATOM 1494 CG ASP A 190 41.617 6.687 30.506 1.00 48.41 C +ATOM 1495 OD1 ASP A 190 42.024 5.567 30.122 1.00 50.18 O +ATOM 1496 OD2 ASP A 190 42.098 7.293 31.492 1.00 49.77 O +ATOM 1497 N TYR A 191 40.381 4.502 27.494 1.00 44.95 N +ATOM 1498 CA TYR A 191 39.927 3.104 27.357 1.00 45.17 C +ATOM 1499 C TYR A 191 40.880 2.226 28.105 1.00 45.39 C +ATOM 1500 O TYR A 191 40.668 1.017 28.187 1.00 45.56 O +ATOM 1501 CB TYR A 191 39.995 2.617 25.901 1.00 45.74 C +ATOM 1502 CG TYR A 191 39.814 3.675 24.829 1.00 46.33 C +ATOM 1503 CD1 TYR A 191 38.550 4.220 24.560 1.00 45.84 C +ATOM 1504 CD2 TYR A 191 40.907 4.144 24.094 1.00 45.69 C +ATOM 1505 CE1 TYR A 191 38.378 5.206 23.590 1.00 46.41 C +ATOM 1506 CE2 TYR A 191 40.746 5.132 23.123 1.00 46.72 C +ATOM 1507 CZ TYR A 191 39.478 5.664 22.875 1.00 46.92 C +ATOM 1508 OH TYR A 191 39.306 6.668 21.938 1.00 47.50 O +ATOM 1509 N TYR A 192 41.926 2.845 28.642 1.00 45.80 N +ATOM 1510 CA TYR A 192 43.004 2.137 29.321 1.00 46.96 C +ATOM 1511 C TYR A 192 42.786 1.853 30.794 1.00 47.86 C +ATOM 1512 O TYR A 192 43.030 0.723 31.202 1.00 48.32 O +ATOM 1513 CB TYR A 192 44.321 2.911 29.139 1.00 46.68 C +ATOM 1514 CG TYR A 192 44.643 3.205 27.686 1.00 46.72 C +ATOM 1515 CD1 TYR A 192 44.065 4.297 27.030 1.00 47.08 C +ATOM 1516 CD2 TYR A 192 45.464 2.348 26.940 1.00 46.14 C +ATOM 1517 CE1 TYR A 192 44.290 4.527 25.670 1.00 47.12 C +ATOM 1518 CE2 TYR A 192 45.695 2.569 25.579 1.00 46.18 C +ATOM 1519 CZ TYR A 192 45.102 3.658 24.954 1.00 47.28 C +ATOM 1520 OH TYR A 192 45.287 3.873 23.606 1.00 48.57 O +ATOM 1521 N THR A 193 42.357 2.840 31.585 1.00 48.40 N +ATOM 1522 CA THR A 193 42.177 2.654 33.028 1.00 48.38 C +ATOM 1523 C THR A 193 40.724 2.801 33.439 1.00 49.38 C +ATOM 1524 O THR A 193 39.944 3.474 32.757 1.00 49.86 O +ATOM 1525 CB THR A 193 43.035 3.683 33.807 1.00 48.37 C +ATOM 1526 OG1 THR A 193 42.482 5.000 33.656 1.00 48.00 O +ATOM 1527 CG2 THR A 193 44.460 3.696 33.256 1.00 48.07 C +ATOM 1528 N PRO A 194 40.324 2.158 34.546 1.00 50.07 N +ATOM 1529 CA PRO A 194 38.913 2.344 34.891 1.00 50.54 C +ATOM 1530 C PRO A 194 38.674 3.672 35.645 1.00 50.55 C +ATOM 1531 O PRO A 194 37.515 4.037 35.851 1.00 51.07 O +ATOM 1532 CB PRO A 194 38.588 1.098 35.732 1.00 50.48 C +ATOM 1533 CG PRO A 194 39.611 0.088 35.293 1.00 50.92 C +ATOM 1534 CD PRO A 194 40.857 0.947 35.188 1.00 50.64 C +ATOM 1535 N HIS A 195 39.757 4.372 36.021 1.00 50.04 N +ATOM 1536 CA HIS A 195 39.734 5.670 36.756 1.00 49.91 C +ATOM 1537 C HIS A 195 38.309 6.085 37.150 1.00 50.30 C +ATOM 1538 O HIS A 195 37.689 6.919 36.467 1.00 50.57 O +ATOM 1539 CB HIS A 195 40.390 6.798 35.912 1.00 49.23 C +ATOM 1540 CG HIS A 195 40.839 8.004 36.702 1.00 47.75 C +ATOM 1541 ND1 HIS A 195 40.555 9.297 36.311 1.00 48.65 N +ATOM 1542 CD2 HIS A 195 41.623 8.115 37.801 1.00 47.60 C +ATOM 1543 CE1 HIS A 195 41.146 10.149 37.131 1.00 48.45 C +ATOM 1544 NE2 HIS A 195 41.802 9.457 38.044 1.00 48.13 N +ATOM 1545 N GLU A 196 37.812 5.511 38.246 1.00 50.26 N +ATOM 1546 CA GLU A 196 36.479 5.793 38.761 1.00 50.10 C +ATOM 1547 C GLU A 196 36.321 7.271 39.080 1.00 50.43 C +ATOM 1548 O GLU A 196 35.254 7.826 38.854 1.00 50.79 O +ATOM 1549 CB GLU A 196 36.238 4.967 40.026 1.00 50.18 C +ATOM 1550 CG GLU A 196 36.216 3.464 39.810 1.00 51.64 C +ATOM 1551 CD GLU A 196 36.165 2.672 41.118 1.00 53.79 C +ATOM 1552 OE1 GLU A 196 35.492 3.119 42.088 1.00 54.20 O +ATOM 1553 OE2 GLU A 196 36.794 1.587 41.169 1.00 53.74 O +ATOM 1554 N GLU A 197 37.381 7.892 39.597 1.00 50.64 N +ATOM 1555 CA GLU A 197 37.417 9.309 39.999 1.00 51.50 C +ATOM 1556 C GLU A 197 36.842 10.245 38.938 1.00 50.78 C +ATOM 1557 O GLU A 197 36.362 11.314 39.261 1.00 50.14 O +ATOM 1558 CB GLU A 197 38.874 9.698 40.289 1.00 54.11 C +ATOM 1559 CG GLU A 197 39.094 11.064 40.943 1.00 60.24 C +ATOM 1560 CD GLU A 197 40.575 11.525 40.882 1.00 64.68 C +ATOM 1561 OE1 GLU A 197 41.498 10.688 41.086 1.00 67.43 O +ATOM 1562 OE2 GLU A 197 40.815 12.735 40.636 1.00 66.42 O +ATOM 1563 N THR A 198 36.884 9.833 37.682 1.00 50.45 N +ATOM 1564 CA THR A 198 36.420 10.661 36.590 1.00 48.93 C +ATOM 1565 C THR A 198 35.379 9.904 35.749 1.00 49.43 C +ATOM 1566 O THR A 198 34.978 10.381 34.698 1.00 49.54 O +ATOM 1567 CB THR A 198 37.661 11.113 35.759 1.00 48.31 C +ATOM 1568 OG1 THR A 198 37.384 12.351 35.102 1.00 48.14 O +ATOM 1569 CG2 THR A 198 38.051 10.060 34.745 1.00 45.82 C +ATOM 1570 N ASN A 199 34.960 8.730 36.228 1.00 49.78 N +ATOM 1571 CA ASN A 199 33.922 7.881 35.607 1.00 49.69 C +ATOM 1572 C ASN A 199 34.178 7.517 34.175 1.00 49.37 C +ATOM 1573 O ASN A 199 33.310 7.763 33.342 1.00 49.34 O +ATOM 1574 CB ASN A 199 32.576 8.576 35.684 1.00 50.45 C +ATOM 1575 CG ASN A 199 32.150 8.825 37.098 1.00 52.01 C +ATOM 1576 OD1 ASN A 199 32.522 9.827 37.728 1.00 53.96 O +ATOM 1577 ND2 ASN A 199 31.382 7.898 37.628 1.00 53.86 N +ATOM 1578 N ASN A 200 35.312 6.872 33.904 1.00 48.73 N +ATOM 1579 CA ASN A 200 35.735 6.499 32.548 1.00 47.17 C +ATOM 1580 C ASN A 200 34.948 5.383 31.908 1.00 46.82 C +ATOM 1581 O ASN A 200 34.502 5.540 30.786 1.00 47.46 O +ATOM 1582 CB ASN A 200 37.214 6.098 32.545 1.00 46.08 C +ATOM 1583 CG ASN A 200 38.139 7.276 32.710 1.00 44.59 C +ATOM 1584 OD1 ASN A 200 37.707 8.406 32.911 1.00 42.98 O +ATOM 1585 ND2 ASN A 200 39.432 7.011 32.628 1.00 43.85 N +ATOM 1586 N GLU A 201 34.793 4.254 32.579 1.00 46.34 N +ATOM 1587 CA GLU A 201 34.104 3.142 31.940 1.00 46.63 C +ATOM 1588 C GLU A 201 32.696 3.514 31.392 1.00 46.67 C +ATOM 1589 O GLU A 201 32.325 3.064 30.296 1.00 47.23 O +ATOM 1590 CB GLU A 201 34.053 1.953 32.902 1.00 46.27 C +ATOM 1591 CG GLU A 201 35.426 1.505 33.407 1.00 45.66 C +ATOM 1592 CD GLU A 201 35.955 0.240 32.737 1.00 45.65 C +ATOM 1593 OE1 GLU A 201 35.150 -0.665 32.426 1.00 46.06 O +ATOM 1594 OE2 GLU A 201 37.189 0.141 32.553 1.00 45.97 O +ATOM 1595 N SER A 202 31.932 4.336 32.107 1.00 46.62 N +ATOM 1596 CA SER A 202 30.587 4.706 31.651 1.00 45.67 C +ATOM 1597 C SER A 202 30.618 5.603 30.425 1.00 45.51 C +ATOM 1598 O SER A 202 29.815 5.408 29.523 1.00 45.99 O +ATOM 1599 CB SER A 202 29.827 5.401 32.772 1.00 44.60 C +ATOM 1600 OG SER A 202 30.610 6.442 33.320 1.00 47.30 O +ATOM 1601 N PHE A 203 31.516 6.581 30.390 1.00 45.30 N +ATOM 1602 CA PHE A 203 31.605 7.472 29.244 1.00 45.00 C +ATOM 1603 C PHE A 203 31.922 6.688 27.984 1.00 45.16 C +ATOM 1604 O PHE A 203 31.333 6.952 26.947 1.00 45.42 O +ATOM 1605 CB PHE A 203 32.691 8.525 29.459 1.00 45.24 C +ATOM 1606 CG PHE A 203 32.809 9.496 28.322 1.00 45.31 C +ATOM 1607 CD1 PHE A 203 32.065 10.670 28.314 1.00 44.90 C +ATOM 1608 CD2 PHE A 203 33.616 9.207 27.230 1.00 44.67 C +ATOM 1609 CE1 PHE A 203 32.117 11.545 27.234 1.00 44.53 C +ATOM 1610 CE2 PHE A 203 33.676 10.073 26.148 1.00 44.43 C +ATOM 1611 CZ PHE A 203 32.924 11.246 26.149 1.00 44.69 C +ATOM 1612 N VAL A 204 32.848 5.732 28.071 1.00 45.43 N +ATOM 1613 CA VAL A 204 33.254 4.917 26.914 1.00 45.73 C +ATOM 1614 C VAL A 204 32.061 4.168 26.311 1.00 46.38 C +ATOM 1615 O VAL A 204 31.962 4.031 25.093 1.00 46.73 O +ATOM 1616 CB VAL A 204 34.389 3.900 27.301 1.00 45.53 C +ATOM 1617 CG1 VAL A 204 34.646 2.931 26.162 1.00 45.13 C +ATOM 1618 CG2 VAL A 204 35.685 4.648 27.632 1.00 44.29 C +ATOM 1619 N ILE A 205 31.156 3.683 27.146 1.00 47.40 N +ATOM 1620 CA ILE A 205 29.992 2.978 26.634 1.00 48.58 C +ATOM 1621 C ILE A 205 29.020 4.003 26.098 1.00 49.07 C +ATOM 1622 O ILE A 205 28.325 3.739 25.116 1.00 48.24 O +ATOM 1623 CB ILE A 205 29.350 2.132 27.751 1.00 49.24 C +ATOM 1624 CG1 ILE A 205 30.329 1.029 28.156 1.00 49.42 C +ATOM 1625 CG2 ILE A 205 28.041 1.533 27.279 1.00 48.97 C +ATOM 1626 CD1 ILE A 205 30.070 0.434 29.498 1.00 51.00 C +ATOM 1627 N TYR A 206 29.002 5.178 26.728 1.00 50.30 N +ATOM 1628 CA TYR A 206 28.121 6.259 26.308 1.00 52.22 C +ATOM 1629 C TYR A 206 28.539 6.743 24.926 1.00 53.48 C +ATOM 1630 O TYR A 206 27.691 7.131 24.123 1.00 55.09 O +ATOM 1631 CB TYR A 206 28.197 7.423 27.305 1.00 51.93 C +ATOM 1632 CG TYR A 206 27.952 8.798 26.694 1.00 52.72 C +ATOM 1633 CD1 TYR A 206 26.670 9.201 26.287 1.00 52.60 C +ATOM 1634 CD2 TYR A 206 29.009 9.702 26.529 1.00 53.16 C +ATOM 1635 CE1 TYR A 206 26.455 10.465 25.742 1.00 52.06 C +ATOM 1636 CE2 TYR A 206 28.806 10.963 25.985 1.00 52.88 C +ATOM 1637 CZ TYR A 206 27.531 11.333 25.598 1.00 52.25 C +ATOM 1638 OH TYR A 206 27.342 12.582 25.071 1.00 51.99 O +ATOM 1639 N MET A 207 29.834 6.706 24.642 1.00 53.51 N +ATOM 1640 CA MET A 207 30.335 7.171 23.358 1.00 53.61 C +ATOM 1641 C MET A 207 30.164 6.136 22.239 1.00 52.68 C +ATOM 1642 O MET A 207 29.827 6.500 21.107 1.00 52.69 O +ATOM 1643 CB MET A 207 31.802 7.544 23.502 1.00 55.09 C +ATOM 1644 CG MET A 207 32.461 7.907 22.190 1.00 57.54 C +ATOM 1645 SD MET A 207 34.246 8.086 22.339 1.00 61.37 S +ATOM 1646 CE MET A 207 34.757 6.330 22.437 1.00 60.41 C +ATOM 1647 N PHE A 208 30.401 4.866 22.540 1.00 51.97 N +ATOM 1648 CA PHE A 208 30.286 3.817 21.540 1.00 50.74 C +ATOM 1649 C PHE A 208 28.861 3.534 21.193 1.00 50.76 C +ATOM 1650 O PHE A 208 28.625 2.954 20.158 1.00 50.91 O +ATOM 1651 CB PHE A 208 30.932 2.539 22.038 1.00 50.94 C +ATOM 1652 CG PHE A 208 32.398 2.446 21.752 1.00 52.60 C +ATOM 1653 CD1 PHE A 208 32.857 2.349 20.446 1.00 52.88 C +ATOM 1654 CD2 PHE A 208 33.329 2.430 22.789 1.00 53.37 C +ATOM 1655 CE1 PHE A 208 34.221 2.237 20.174 1.00 53.22 C +ATOM 1656 CE2 PHE A 208 34.696 2.317 22.526 1.00 53.05 C +ATOM 1657 CZ PHE A 208 35.141 2.221 21.218 1.00 52.74 C +ATOM 1658 N VAL A 209 27.908 3.920 22.039 1.00 50.75 N +ATOM 1659 CA VAL A 209 26.496 3.653 21.733 1.00 50.80 C +ATOM 1660 C VAL A 209 25.829 4.883 21.156 1.00 50.29 C +ATOM 1661 O VAL A 209 25.279 4.812 20.052 1.00 51.20 O +ATOM 1662 CB VAL A 209 25.684 3.184 22.990 1.00 50.82 C +ATOM 1663 CG1 VAL A 209 24.236 2.891 22.584 1.00 50.37 C +ATOM 1664 CG2 VAL A 209 26.323 1.917 23.615 1.00 49.46 C +ATOM 1665 N VAL A 210 25.881 5.997 21.880 1.00 49.77 N +ATOM 1666 CA VAL A 210 25.269 7.244 21.430 1.00 49.56 C +ATOM 1667 C VAL A 210 26.011 7.849 20.265 1.00 49.80 C +ATOM 1668 O VAL A 210 25.382 8.391 19.354 1.00 50.58 O +ATOM 1669 CB VAL A 210 25.247 8.311 22.546 1.00 49.01 C +ATOM 1670 CG1 VAL A 210 24.818 9.674 21.980 1.00 47.69 C +ATOM 1671 CG2 VAL A 210 24.322 7.864 23.662 1.00 48.35 C +ATOM 1672 N HIS A 211 27.333 7.767 20.277 1.00 49.00 N +ATOM 1673 CA HIS A 211 28.098 8.383 19.214 1.00 47.74 C +ATOM 1674 C HIS A 211 28.841 7.391 18.373 1.00 47.31 C +ATOM 1675 O HIS A 211 30.042 7.532 18.186 1.00 47.03 O +ATOM 1676 CB HIS A 211 29.045 9.388 19.831 1.00 47.36 C +ATOM 1677 CG HIS A 211 28.353 10.363 20.719 1.00 47.80 C +ATOM 1678 ND1 HIS A 211 27.520 11.341 20.231 1.00 48.32 N +ATOM 1679 CD2 HIS A 211 28.311 10.467 22.067 1.00 48.76 C +ATOM 1680 CE1 HIS A 211 26.990 12.009 21.239 1.00 49.29 C +ATOM 1681 NE2 HIS A 211 27.454 11.497 22.366 1.00 49.62 N +ATOM 1682 N PHE A 212 28.134 6.391 17.856 1.00 46.74 N +ATOM 1683 CA PHE A 212 28.755 5.393 16.992 1.00 46.24 C +ATOM 1684 C PHE A 212 27.747 4.343 16.527 1.00 46.45 C +ATOM 1685 O PHE A 212 27.249 4.425 15.416 1.00 46.26 O +ATOM 1686 CB PHE A 212 29.939 4.721 17.700 1.00 45.19 C +ATOM 1687 CG PHE A 212 30.666 3.724 16.843 1.00 44.12 C +ATOM 1688 CD1 PHE A 212 31.090 4.064 15.572 1.00 43.92 C +ATOM 1689 CD2 PHE A 212 30.948 2.454 17.316 1.00 43.85 C +ATOM 1690 CE1 PHE A 212 31.791 3.149 14.786 1.00 44.20 C +ATOM 1691 CE2 PHE A 212 31.646 1.533 16.537 1.00 43.68 C +ATOM 1692 CZ PHE A 212 32.069 1.881 15.273 1.00 42.90 C +ATOM 1693 N ILE A 213 27.498 3.337 17.355 1.00 46.90 N +ATOM 1694 CA ILE A 213 26.576 2.285 16.971 1.00 47.47 C +ATOM 1695 C ILE A 213 25.302 2.886 16.458 1.00 47.54 C +ATOM 1696 O ILE A 213 24.852 2.532 15.378 1.00 47.74 O +ATOM 1697 CB ILE A 213 26.225 1.369 18.149 1.00 47.75 C +ATOM 1698 CG1 ILE A 213 27.460 0.619 18.620 1.00 46.79 C +ATOM 1699 CG2 ILE A 213 25.183 0.368 17.716 1.00 47.36 C +ATOM 1700 CD1 ILE A 213 27.193 -0.213 19.838 1.00 47.73 C +ATOM 1701 N ILE A 214 24.742 3.811 17.219 1.00 47.42 N +ATOM 1702 CA ILE A 214 23.486 4.432 16.852 1.00 47.24 C +ATOM 1703 C ILE A 214 23.522 5.226 15.559 1.00 48.02 C +ATOM 1704 O ILE A 214 22.766 4.904 14.644 1.00 48.41 O +ATOM 1705 CB ILE A 214 22.982 5.295 18.004 1.00 46.78 C +ATOM 1706 CG1 ILE A 214 22.393 4.372 19.069 1.00 45.85 C +ATOM 1707 CG2 ILE A 214 21.979 6.324 17.506 1.00 47.49 C +ATOM 1708 CD1 ILE A 214 21.787 5.096 20.218 1.00 45.49 C +ATOM 1709 N PRO A 215 24.361 6.269 15.454 1.00 48.63 N +ATOM 1710 CA PRO A 215 24.366 7.013 14.188 1.00 48.97 C +ATOM 1711 C PRO A 215 24.608 6.115 12.980 1.00 49.94 C +ATOM 1712 O PRO A 215 24.114 6.410 11.897 1.00 50.24 O +ATOM 1713 CB PRO A 215 25.479 8.031 14.391 1.00 48.54 C +ATOM 1714 CG PRO A 215 25.452 8.260 15.857 1.00 48.96 C +ATOM 1715 CD PRO A 215 25.292 6.873 16.418 1.00 48.81 C +ATOM 1716 N LEU A 216 25.365 5.034 13.171 1.00 51.10 N +ATOM 1717 CA LEU A 216 25.657 4.072 12.102 1.00 52.27 C +ATOM 1718 C LEU A 216 24.375 3.383 11.650 1.00 53.97 C +ATOM 1719 O LEU A 216 24.111 3.259 10.452 1.00 55.27 O +ATOM 1720 CB LEU A 216 26.641 2.992 12.584 1.00 51.00 C +ATOM 1721 CG LEU A 216 28.120 3.210 12.310 1.00 49.96 C +ATOM 1722 CD1 LEU A 216 28.291 3.808 10.949 1.00 50.68 C +ATOM 1723 CD2 LEU A 216 28.680 4.136 13.305 1.00 51.66 C +ATOM 1724 N ILE A 217 23.588 2.919 12.612 1.00 54.91 N +ATOM 1725 CA ILE A 217 22.334 2.239 12.332 1.00 54.99 C +ATOM 1726 C ILE A 217 21.417 3.107 11.472 1.00 54.92 C +ATOM 1727 O ILE A 217 20.907 2.632 10.453 1.00 55.20 O +ATOM 1728 CB ILE A 217 21.643 1.910 13.636 1.00 54.63 C +ATOM 1729 CG1 ILE A 217 22.513 0.945 14.431 1.00 53.84 C +ATOM 1730 CG2 ILE A 217 20.279 1.337 13.357 1.00 55.13 C +ATOM 1731 CD1 ILE A 217 22.163 0.908 15.880 1.00 54.54 C +ATOM 1732 N VAL A 218 21.202 4.352 11.902 1.00 54.52 N +ATOM 1733 CA VAL A 218 20.373 5.329 11.190 1.00 54.08 C +ATOM 1734 C VAL A 218 20.819 5.400 9.760 1.00 55.54 C +ATOM 1735 O VAL A 218 20.052 5.147 8.832 1.00 56.20 O +ATOM 1736 CB VAL A 218 20.552 6.742 11.776 1.00 52.79 C +ATOM 1737 CG1 VAL A 218 19.976 7.781 10.828 1.00 52.31 C +ATOM 1738 CG2 VAL A 218 19.912 6.820 13.136 1.00 51.67 C +ATOM 1739 N ILE A 219 22.081 5.761 9.601 1.00 56.77 N +ATOM 1740 CA ILE A 219 22.713 5.911 8.306 1.00 57.73 C +ATOM 1741 C ILE A 219 22.573 4.662 7.457 1.00 59.19 C +ATOM 1742 O ILE A 219 22.239 4.764 6.281 1.00 59.93 O +ATOM 1743 CB ILE A 219 24.188 6.249 8.495 1.00 56.72 C +ATOM 1744 CG1 ILE A 219 24.304 7.614 9.173 1.00 56.87 C +ATOM 1745 CG2 ILE A 219 24.888 6.237 7.174 1.00 56.13 C +ATOM 1746 CD1 ILE A 219 25.712 8.055 9.465 1.00 57.61 C +ATOM 1747 N PHE A 220 22.827 3.494 8.033 1.00 60.43 N +ATOM 1748 CA PHE A 220 22.726 2.251 7.288 1.00 61.76 C +ATOM 1749 C PHE A 220 21.321 1.915 6.957 1.00 63.08 C +ATOM 1750 O PHE A 220 21.013 1.600 5.807 1.00 63.43 O +ATOM 1751 CB PHE A 220 23.336 1.126 8.082 1.00 61.95 C +ATOM 1752 CG PHE A 220 24.786 1.071 7.942 1.00 62.41 C +ATOM 1753 CD1 PHE A 220 25.340 0.905 6.686 1.00 62.91 C +ATOM 1754 CD2 PHE A 220 25.609 1.262 9.029 1.00 62.69 C +ATOM 1755 CE1 PHE A 220 26.692 0.938 6.509 1.00 63.31 C +ATOM 1756 CE2 PHE A 220 26.970 1.299 8.867 1.00 63.24 C +ATOM 1757 CZ PHE A 220 27.516 1.136 7.603 1.00 63.70 C +ATOM 1758 N PHE A 221 20.459 1.945 7.958 1.00 64.43 N +ATOM 1759 CA PHE A 221 19.082 1.649 7.692 1.00 65.68 C +ATOM 1760 C PHE A 221 18.609 2.559 6.591 1.00 66.17 C +ATOM 1761 O PHE A 221 18.157 2.082 5.559 1.00 66.54 O +ATOM 1762 CB PHE A 221 18.241 1.866 8.926 1.00 66.38 C +ATOM 1763 CG PHE A 221 16.798 1.634 8.679 1.00 68.18 C +ATOM 1764 CD1 PHE A 221 15.909 2.706 8.614 1.00 68.99 C +ATOM 1765 CD2 PHE A 221 16.328 0.341 8.431 1.00 68.71 C +ATOM 1766 CE1 PHE A 221 14.565 2.499 8.301 1.00 68.91 C +ATOM 1767 CE2 PHE A 221 14.990 0.118 8.118 1.00 69.07 C +ATOM 1768 CZ PHE A 221 14.104 1.203 8.052 1.00 69.66 C +ATOM 1769 N CYS A 222 18.733 3.864 6.797 1.00 67.33 N +ATOM 1770 CA CYS A 222 18.316 4.839 5.802 1.00 68.83 C +ATOM 1771 C CYS A 222 18.779 4.437 4.409 1.00 70.09 C +ATOM 1772 O CYS A 222 18.085 4.699 3.442 1.00 70.62 O +ATOM 1773 CB CYS A 222 18.876 6.211 6.145 1.00 68.19 C +ATOM 1774 SG CYS A 222 18.607 7.402 4.833 1.00 69.11 S +ATOM 1775 N TYR A 223 19.944 3.811 4.304 1.00 71.59 N +ATOM 1776 CA TYR A 223 20.467 3.393 3.010 1.00 73.16 C +ATOM 1777 C TYR A 223 19.632 2.278 2.478 1.00 74.69 C +ATOM 1778 O TYR A 223 19.282 2.269 1.304 1.00 74.55 O +ATOM 1779 CB TYR A 223 21.897 2.913 3.162 1.00 73.08 C +ATOM 1780 CG TYR A 223 22.459 2.230 1.938 1.00 73.29 C +ATOM 1781 CD1 TYR A 223 22.733 2.943 0.778 1.00 73.36 C +ATOM 1782 CD2 TYR A 223 22.779 0.875 1.962 1.00 73.88 C +ATOM 1783 CE1 TYR A 223 23.330 2.319 -0.332 1.00 73.67 C +ATOM 1784 CE2 TYR A 223 23.375 0.244 0.860 1.00 73.46 C +ATOM 1785 CZ TYR A 223 23.652 0.970 -0.281 1.00 73.30 C +ATOM 1786 OH TYR A 223 24.284 0.358 -1.345 1.00 73.22 O +ATOM 1787 N GLY A 224 19.328 1.322 3.344 1.00 76.62 N +ATOM 1788 CA GLY A 224 18.512 0.200 2.939 1.00 79.43 C +ATOM 1789 C GLY A 224 17.194 0.687 2.378 1.00 81.28 C +ATOM 1790 O GLY A 224 16.397 -0.112 1.913 1.00 81.14 O +ATOM 1791 N GLN A 225 16.965 2.000 2.441 1.00 83.58 N +ATOM 1792 CA GLN A 225 15.742 2.622 1.918 1.00 86.00 C +ATOM 1793 C GLN A 225 16.018 3.072 0.515 1.00 87.80 C +ATOM 1794 O GLN A 225 15.278 2.743 -0.412 1.00 87.84 O +ATOM 1795 CB GLN A 225 15.341 3.838 2.764 1.00 85.44 C +ATOM 1796 CG GLN A 225 15.199 3.504 4.219 1.00 84.97 C +ATOM 1797 CD GLN A 225 14.365 2.257 4.417 1.00 85.26 C +ATOM 1798 OE1 GLN A 225 13.145 2.325 4.513 1.00 85.57 O +ATOM 1799 NE2 GLN A 225 15.026 1.099 4.453 1.00 85.24 N +ATOM 1800 N LEU A 226 17.090 3.838 0.370 1.00 90.01 N +ATOM 1801 CA LEU A 226 17.502 4.320 -0.927 1.00 92.42 C +ATOM 1802 C LEU A 226 18.210 3.184 -1.638 1.00 94.29 C +ATOM 1803 O LEU A 226 19.252 3.358 -2.269 1.00 94.45 O +ATOM 1804 CB LEU A 226 18.406 5.547 -0.770 1.00 92.22 C +ATOM 1805 CG LEU A 226 17.656 6.856 -0.476 1.00 92.21 C +ATOM 1806 CD1 LEU A 226 16.820 6.726 0.789 1.00 91.94 C +ATOM 1807 CD2 LEU A 226 18.656 7.990 -0.354 1.00 92.02 C +ATOM 1808 N VAL A 227 17.633 1.999 -1.491 1.00 96.23 N +ATOM 1809 CA VAL A 227 18.137 0.800 -2.138 1.00 98.36 C +ATOM 1810 C VAL A 227 17.169 0.493 -3.276 1.00 99.65 C +ATOM 1811 O VAL A 227 17.599 0.392 -4.434 1.00 99.96 O +ATOM 1812 CB VAL A 227 18.217 -0.412 -1.138 1.00 98.41 C +ATOM 1813 CG1 VAL A 227 16.816 -0.865 -0.708 1.00 98.24 C +ATOM 1814 CG2 VAL A 227 18.975 -1.568 -1.781 1.00 98.33 C +ATOM 1815 N PHE A 228 15.874 0.384 -2.947 1.00101.03 N +ATOM 1816 CA PHE A 228 14.825 0.113 -3.937 1.00102.04 C +ATOM 1817 C PHE A 228 14.583 1.378 -4.744 1.00102.50 C +ATOM 1818 O PHE A 228 14.289 1.309 -5.943 1.00102.70 O +ATOM 1819 CB PHE A 228 13.515 -0.332 -3.257 1.00101.81 C +ATOM 1820 CG PHE A 228 12.424 -0.726 -4.236 1.00101.87 C +ATOM 1821 CD1 PHE A 228 12.637 -1.745 -5.169 1.00101.78 C +ATOM 1822 CD2 PHE A 228 11.188 -0.078 -4.227 1.00101.77 C +ATOM 1823 CE1 PHE A 228 11.636 -2.114 -6.080 1.00101.77 C +ATOM 1824 CE2 PHE A 228 10.181 -0.438 -5.133 1.00101.55 C +ATOM 1825 CZ PHE A 228 10.407 -1.459 -6.060 1.00101.68 C +ATOM 1826 N THR A 229 14.704 2.528 -4.088 1.00102.91 N +ATOM 1827 CA THR A 229 14.520 3.802 -4.769 1.00103.32 C +ATOM 1828 C THR A 229 15.838 4.142 -5.498 1.00103.84 C +ATOM 1829 O THR A 229 16.423 3.238 -6.118 1.00103.79 O +ATOM 1830 CB THR A 229 14.116 4.927 -3.757 1.00102.96 C +ATOM 1831 OG1 THR A 229 13.153 4.416 -2.819 1.00102.53 O +ATOM 1832 CG2 THR A 229 13.482 6.103 -4.500 1.00102.53 C +ATOM 1833 N VAL A 230 16.305 5.395 -5.422 1.00104.19 N +ATOM 1834 CA VAL A 230 17.543 5.824 -6.102 1.00104.42 C +ATOM 1835 C VAL A 230 18.678 4.810 -5.868 1.00104.57 C +ATOM 1836 O VAL A 230 18.959 4.437 -4.723 1.00104.45 O +ATOM 1837 CB VAL A 230 17.976 7.273 -5.636 1.00104.11 C +ATOM 1838 CG1 VAL A 230 18.647 7.223 -4.275 1.00103.95 C +ATOM 1839 CG2 VAL A 230 18.891 7.919 -6.667 1.00103.64 C +ATOM 1840 N LYS A 231 19.304 4.354 -6.954 1.00104.94 N +ATOM 1841 CA LYS A 231 20.392 3.378 -6.865 1.00105.28 C +ATOM 1842 C LYS A 231 21.684 3.954 -7.409 1.00105.74 C +ATOM 1843 O LYS A 231 21.674 4.990 -8.075 1.00105.55 O +ATOM 1844 CB LYS A 231 20.054 2.103 -7.644 1.00104.54 C +ATOM 1845 CG LYS A 231 18.844 1.346 -7.136 1.00103.78 C +ATOM 1846 CD LYS A 231 18.660 0.029 -7.886 1.00103.66 C +ATOM 1847 CE LYS A 231 18.519 0.227 -9.399 1.00102.84 C +ATOM 1848 NZ LYS A 231 19.793 0.623 -10.064 1.00102.19 N +ATOM 1849 N GLU A 232 22.788 3.264 -7.122 1.00106.32 N +ATOM 1850 CA GLU A 232 24.122 3.667 -7.567 1.00106.79 C +ATOM 1851 C GLU A 232 24.144 3.698 -9.076 1.00107.24 C +ATOM 1852 O GLU A 232 24.943 4.438 -9.672 1.00107.18 O +ATOM 1853 CB GLU A 232 25.165 2.675 -7.051 1.00105.96 C +ATOM 1854 CG GLU A 232 25.017 2.370 -5.578 1.00104.85 C +ATOM 1855 CD GLU A 232 26.004 1.335 -5.103 1.00104.32 C +ATOM 1856 OE1 GLU A 232 26.041 0.228 -5.688 1.00103.46 O +ATOM 1857 OE2 GLU A 232 26.738 1.632 -4.141 1.00103.45 O +ATOM 1858 N ALA A 233 23.281 2.886 -9.688 1.00107.79 N +ATOM 1859 CA ALA A 233 23.167 2.836 -11.140 1.00107.95 C +ATOM 1860 C ALA A 233 22.716 4.213 -11.601 1.00108.13 C +ATOM 1861 O ALA A 233 21.512 4.505 -11.600 1.00108.09 O +ATOM 1862 CB ALA A 233 22.146 1.762 -11.559 1.00107.71 C +ATOM 1863 N ALA A 234 23.683 5.057 -11.964 1.00108.00 N +ATOM 1864 CA ALA A 234 23.414 6.424 -12.417 1.00108.02 C +ATOM 1865 C ALA A 234 23.704 6.536 -13.907 1.00108.10 C +ATOM 1866 O ALA A 234 24.844 6.275 -14.324 1.00108.15 O +ATOM 1867 CB ALA A 234 24.283 7.416 -11.629 1.00108.19 C +ATOM 1868 N ALA A 235 22.690 6.925 -14.691 1.00107.89 N +ATOM 1869 CA ALA A 235 22.820 7.067 -16.150 1.00107.65 C +ATOM 1870 C ALA A 235 23.172 8.503 -16.548 1.00107.72 C +ATOM 1871 O ALA A 235 23.796 9.232 -15.763 1.00107.41 O +ATOM 1872 CB ALA A 235 21.518 6.613 -16.865 1.00107.16 C +ATOM 1873 N GLN A 236 22.746 8.899 -17.748 1.00107.63 N +ATOM 1874 CA GLN A 236 23.044 10.219 -18.330 1.00107.40 C +ATOM 1875 C GLN A 236 21.950 11.300 -18.100 1.00107.35 C +ATOM 1876 O GLN A 236 21.074 11.139 -17.240 1.00107.39 O +ATOM 1877 CB GLN A 236 23.315 10.018 -19.833 1.00106.95 C +ATOM 1878 CG GLN A 236 22.308 9.070 -20.511 1.00106.50 C +ATOM 1879 CD GLN A 236 22.922 8.229 -21.625 1.00106.28 C +ATOM 1880 OE1 GLN A 236 23.418 8.760 -22.619 1.00105.81 O +ATOM 1881 NE2 GLN A 236 22.885 6.908 -21.458 1.00105.62 N +ATOM 1882 N GLN A 237 22.033 12.392 -18.872 1.00107.12 N +ATOM 1883 CA GLN A 237 21.107 13.538 -18.799 1.00106.24 C +ATOM 1884 C GLN A 237 19.673 13.062 -18.704 1.00105.99 C +ATOM 1885 O GLN A 237 19.188 12.335 -19.586 1.00105.88 O +ATOM 1886 CB GLN A 237 21.268 14.453 -20.030 1.00105.27 C +ATOM 1887 CG GLN A 237 22.711 14.624 -20.507 1.00103.67 C +ATOM 1888 CD GLN A 237 23.219 13.405 -21.278 1.00102.98 C +ATOM 1889 OE1 GLN A 237 24.423 13.152 -21.341 1.00102.27 O +ATOM 1890 NE2 GLN A 237 22.294 12.652 -21.878 1.00102.57 N +ATOM 1891 N GLN A 238 18.996 13.499 -17.647 1.00105.45 N +ATOM 1892 CA GLN A 238 17.625 13.095 -17.384 1.00105.04 C +ATOM 1893 C GLN A 238 17.631 11.635 -17.008 1.00104.92 C +ATOM 1894 O GLN A 238 18.169 10.798 -17.749 1.00105.01 O +ATOM 1895 CB GLN A 238 16.723 13.272 -18.610 1.00104.39 C +ATOM 1896 CG GLN A 238 15.318 12.696 -18.393 1.00103.69 C +ATOM 1897 CD GLN A 238 14.597 12.340 -19.683 1.00103.52 C +ATOM 1898 OE1 GLN A 238 14.406 13.185 -20.553 1.00102.94 O +ATOM 1899 NE2 GLN A 238 14.186 11.077 -19.804 1.00102.64 N +ATOM 1900 N GLU A 239 17.045 11.328 -15.859 1.00104.09 N +ATOM 1901 CA GLU A 239 16.951 9.956 -15.383 1.00103.28 C +ATOM 1902 C GLU A 239 15.468 9.658 -15.287 1.00102.82 C +ATOM 1903 O GLU A 239 15.045 8.506 -15.148 1.00102.97 O +ATOM 1904 CB GLU A 239 17.608 9.856 -14.014 1.00102.55 C +ATOM 1905 CG GLU A 239 18.041 8.467 -13.621 1.00102.01 C +ATOM 1906 CD GLU A 239 19.420 8.142 -14.141 1.00101.58 C +ATOM 1907 OE1 GLU A 239 19.642 8.305 -15.362 1.00101.34 O +ATOM 1908 OE2 GLU A 239 20.278 7.729 -13.329 1.00100.76 O +ATOM 1909 N SER A 240 14.710 10.750 -15.388 1.00102.33 N +ATOM 1910 CA SER A 240 13.243 10.859 -15.343 1.00101.48 C +ATOM 1911 C SER A 240 13.026 12.351 -15.193 1.00100.55 C +ATOM 1912 O SER A 240 11.962 12.834 -14.810 1.00100.13 O +ATOM 1913 CB SER A 240 12.644 10.112 -14.133 1.00101.44 C +ATOM 1914 OG SER A 240 12.506 8.710 -14.367 1.00101.18 O +ATOM 1915 N ALA A 241 14.107 13.051 -15.512 1.00 99.53 N +ATOM 1916 CA ALA A 241 14.248 14.490 -15.447 1.00 98.48 C +ATOM 1917 C ALA A 241 15.715 14.702 -15.127 1.00 97.83 C +ATOM 1918 O ALA A 241 16.228 14.011 -14.246 1.00 97.66 O +ATOM 1919 CB ALA A 241 13.368 15.069 -14.327 1.00 97.66 C +ATOM 1920 N THR A 242 16.409 15.587 -15.839 1.00 97.16 N +ATOM 1921 CA THR A 242 17.814 15.827 -15.518 1.00 96.28 C +ATOM 1922 C THR A 242 17.878 16.199 -14.050 1.00 95.48 C +ATOM 1923 O THR A 242 18.935 16.136 -13.434 1.00 95.50 O +ATOM 1924 CB THR A 242 18.420 16.959 -16.383 1.00 96.42 C +ATOM 1925 OG1 THR A 242 18.558 16.498 -17.733 1.00 96.48 O +ATOM 1926 CG2 THR A 242 19.796 17.375 -15.857 1.00 96.13 C +ATOM 1927 N THR A 243 16.727 16.590 -13.510 1.00 94.70 N +ATOM 1928 CA THR A 243 16.588 16.931 -12.100 1.00 93.76 C +ATOM 1929 C THR A 243 16.856 15.666 -11.342 1.00 93.00 C +ATOM 1930 O THR A 243 17.847 15.567 -10.627 1.00 93.59 O +ATOM 1931 CB THR A 243 15.146 17.396 -11.774 1.00 93.72 C +ATOM 1932 OG1 THR A 243 14.954 18.728 -12.260 1.00 93.96 O +ATOM 1933 CG2 THR A 243 14.882 17.354 -10.272 1.00 93.83 C +ATOM 1934 N GLN A 244 15.963 14.698 -11.521 1.00 91.68 N +ATOM 1935 CA GLN A 244 16.076 13.396 -10.883 1.00 89.72 C +ATOM 1936 C GLN A 244 17.473 12.833 -11.134 1.00 88.17 C +ATOM 1937 O GLN A 244 18.087 12.270 -10.228 1.00 87.80 O +ATOM 1938 CB GLN A 244 14.993 12.474 -11.450 1.00 89.98 C +ATOM 1939 CG GLN A 244 15.002 11.063 -10.906 1.00 90.48 C +ATOM 1940 CD GLN A 244 16.045 10.177 -11.571 1.00 91.00 C +ATOM 1941 OE1 GLN A 244 17.241 10.445 -11.507 1.00 91.56 O +ATOM 1942 NE2 GLN A 244 15.586 9.110 -12.215 1.00 91.09 N +ATOM 1943 N LYS A 245 17.968 12.981 -12.357 1.00 86.46 N +ATOM 1944 CA LYS A 245 19.294 12.496 -12.714 1.00 84.66 C +ATOM 1945 C LYS A 245 20.333 12.971 -11.715 1.00 83.05 C +ATOM 1946 O LYS A 245 20.908 12.167 -11.005 1.00 82.92 O +ATOM 1947 CB LYS A 245 19.665 12.985 -14.113 1.00 84.86 C +ATOM 1948 CG LYS A 245 21.148 12.952 -14.430 1.00 85.39 C +ATOM 1949 CD LYS A 245 21.696 11.536 -14.591 1.00 86.89 C +ATOM 1950 CE LYS A 245 22.051 10.854 -13.273 1.00 87.58 C +ATOM 1951 NZ LYS A 245 20.868 10.310 -12.547 1.00 88.64 N +ATOM 1952 N ALA A 246 20.566 14.274 -11.663 1.00 81.49 N +ATOM 1953 CA ALA A 246 21.553 14.857 -10.764 1.00 79.91 C +ATOM 1954 C ALA A 246 21.252 14.574 -9.299 1.00 78.99 C +ATOM 1955 O ALA A 246 22.036 14.957 -8.433 1.00 78.72 O +ATOM 1956 CB ALA A 246 21.619 16.340 -10.993 1.00 80.45 C +ATOM 1957 N GLU A 247 20.133 13.921 -9.013 1.00 77.69 N +ATOM 1958 CA GLU A 247 19.770 13.603 -7.634 1.00 76.37 C +ATOM 1959 C GLU A 247 20.489 12.357 -7.241 1.00 75.03 C +ATOM 1960 O GLU A 247 20.845 12.136 -6.082 1.00 73.76 O +ATOM 1961 CB GLU A 247 18.269 13.361 -7.526 1.00 77.42 C +ATOM 1962 CG GLU A 247 17.768 13.590 -6.144 1.00 79.57 C +ATOM 1963 CD GLU A 247 18.501 14.749 -5.515 1.00 81.18 C +ATOM 1964 OE1 GLU A 247 19.624 14.529 -5.002 1.00 81.73 O +ATOM 1965 OE2 GLU A 247 17.975 15.884 -5.560 1.00 82.54 O +ATOM 1966 N LYS A 248 20.673 11.531 -8.254 1.00 74.02 N +ATOM 1967 CA LYS A 248 21.349 10.265 -8.142 1.00 72.94 C +ATOM 1968 C LYS A 248 22.811 10.537 -7.836 1.00 71.30 C +ATOM 1969 O LYS A 248 23.459 9.717 -7.189 1.00 71.65 O +ATOM 1970 CB LYS A 248 21.197 9.528 -9.477 1.00 74.17 C +ATOM 1971 CG LYS A 248 21.346 8.018 -9.426 1.00 76.20 C +ATOM 1972 CD LYS A 248 20.378 7.363 -10.420 1.00 77.28 C +ATOM 1973 CE LYS A 248 18.921 7.787 -10.134 1.00 78.17 C +ATOM 1974 NZ LYS A 248 17.912 7.168 -11.051 1.00 77.56 N +ATOM 1975 N GLU A 249 23.322 11.689 -8.277 1.00 68.75 N +ATOM 1976 CA GLU A 249 24.726 12.027 -8.064 1.00 65.79 C +ATOM 1977 C GLU A 249 25.015 12.366 -6.624 1.00 63.19 C +ATOM 1978 O GLU A 249 25.952 11.825 -6.045 1.00 62.82 O +ATOM 1979 CB GLU A 249 25.152 13.200 -8.945 1.00 66.61 C +ATOM 1980 CG GLU A 249 26.585 13.654 -8.644 1.00 68.69 C +ATOM 1981 CD GLU A 249 26.919 15.029 -9.221 1.00 70.22 C +ATOM 1982 OE1 GLU A 249 26.012 15.899 -9.232 1.00 71.11 O +ATOM 1983 OE2 GLU A 249 28.085 15.246 -9.646 1.00 70.27 O +ATOM 1984 N VAL A 250 24.241 13.266 -6.042 1.00 60.14 N +ATOM 1985 CA VAL A 250 24.485 13.631 -4.664 1.00 57.74 C +ATOM 1986 C VAL A 250 24.453 12.405 -3.781 1.00 56.96 C +ATOM 1987 O VAL A 250 25.286 12.280 -2.891 1.00 57.08 O +ATOM 1988 CB VAL A 250 23.448 14.631 -4.162 1.00 57.20 C +ATOM 1989 CG1 VAL A 250 23.550 14.763 -2.658 1.00 57.09 C +ATOM 1990 CG2 VAL A 250 23.673 15.977 -4.810 1.00 56.90 C +ATOM 1991 N THR A 251 23.500 11.506 -4.021 1.00 56.12 N +ATOM 1992 CA THR A 251 23.377 10.288 -3.221 1.00 55.17 C +ATOM 1993 C THR A 251 24.639 9.411 -3.402 1.00 54.93 C +ATOM 1994 O THR A 251 25.140 8.882 -2.409 1.00 55.01 O +ATOM 1995 CB THR A 251 22.069 9.485 -3.599 1.00 55.19 C +ATOM 1996 OG1 THR A 251 20.951 10.382 -3.683 1.00 55.33 O +ATOM 1997 CG2 THR A 251 21.747 8.434 -2.537 1.00 54.84 C +ATOM 1998 N ARG A 252 25.155 9.282 -4.632 1.00 54.18 N +ATOM 1999 CA ARG A 252 26.351 8.470 -4.901 1.00 53.41 C +ATOM 2000 C ARG A 252 27.477 8.991 -4.057 1.00 51.56 C +ATOM 2001 O ARG A 252 28.271 8.228 -3.538 1.00 51.81 O +ATOM 2002 CB ARG A 252 26.774 8.573 -6.372 1.00 56.08 C +ATOM 2003 CG ARG A 252 27.077 7.244 -7.130 1.00 61.27 C +ATOM 2004 CD ARG A 252 27.960 6.228 -6.350 1.00 65.21 C +ATOM 2005 NE ARG A 252 28.824 5.410 -7.225 1.00 68.49 N +ATOM 2006 CZ ARG A 252 29.215 4.159 -6.959 1.00 69.23 C +ATOM 2007 NH1 ARG A 252 28.804 3.566 -5.841 1.00 69.28 N +ATOM 2008 NH2 ARG A 252 30.040 3.513 -7.790 1.00 67.51 N +ATOM 2009 N MET A 253 27.546 10.303 -3.918 1.00 48.94 N +ATOM 2010 CA MET A 253 28.601 10.916 -3.136 1.00 47.00 C +ATOM 2011 C MET A 253 28.377 10.739 -1.645 1.00 45.85 C +ATOM 2012 O MET A 253 29.317 10.385 -0.927 1.00 45.97 O +ATOM 2013 CB MET A 253 28.690 12.395 -3.457 1.00 46.87 C +ATOM 2014 CG MET A 253 29.587 13.135 -2.518 1.00 46.66 C +ATOM 2015 SD MET A 253 29.852 14.776 -3.131 1.00 48.27 S +ATOM 2016 CE MET A 253 29.009 15.766 -1.952 1.00 46.98 C +ATOM 2017 N VAL A 254 27.160 11.004 -1.175 1.00 44.24 N +ATOM 2018 CA VAL A 254 26.858 10.859 0.240 1.00 42.60 C +ATOM 2019 C VAL A 254 27.175 9.449 0.655 1.00 43.02 C +ATOM 2020 O VAL A 254 27.499 9.203 1.815 1.00 43.97 O +ATOM 2021 CB VAL A 254 25.382 11.180 0.535 1.00 40.89 C +ATOM 2022 CG1 VAL A 254 25.018 10.767 1.930 1.00 40.43 C +ATOM 2023 CG2 VAL A 254 25.162 12.662 0.410 1.00 40.42 C +ATOM 2024 N ILE A 255 27.109 8.524 -0.294 1.00 43.25 N +ATOM 2025 CA ILE A 255 27.405 7.130 -0.006 1.00 44.14 C +ATOM 2026 C ILE A 255 28.926 6.932 0.025 1.00 44.77 C +ATOM 2027 O ILE A 255 29.426 6.217 0.888 1.00 45.81 O +ATOM 2028 CB ILE A 255 26.727 6.193 -1.058 1.00 45.21 C +ATOM 2029 CG1 ILE A 255 25.199 6.362 -1.004 1.00 45.84 C +ATOM 2030 CG2 ILE A 255 27.072 4.731 -0.785 1.00 44.71 C +ATOM 2031 CD1 ILE A 255 24.448 5.578 -2.093 1.00 46.69 C +ATOM 2032 N ILE A 256 29.661 7.565 -0.888 1.00 44.43 N +ATOM 2033 CA ILE A 256 31.115 7.444 -0.880 1.00 43.60 C +ATOM 2034 C ILE A 256 31.652 8.047 0.398 1.00 42.79 C +ATOM 2035 O ILE A 256 32.559 7.495 0.996 1.00 42.65 O +ATOM 2036 CB ILE A 256 31.740 8.179 -2.066 1.00 43.75 C +ATOM 2037 CG1 ILE A 256 31.471 7.388 -3.335 1.00 42.66 C +ATOM 2038 CG2 ILE A 256 33.246 8.358 -1.844 1.00 44.53 C +ATOM 2039 CD1 ILE A 256 32.159 6.070 -3.337 1.00 41.65 C +ATOM 2040 N MET A 257 31.075 9.174 0.804 1.00 42.42 N +ATOM 2041 CA MET A 257 31.468 9.884 2.018 1.00 42.19 C +ATOM 2042 C MET A 257 31.347 8.999 3.227 1.00 42.81 C +ATOM 2043 O MET A 257 32.082 9.187 4.207 1.00 43.63 O +ATOM 2044 CB MET A 257 30.577 11.102 2.235 1.00 41.19 C +ATOM 2045 CG MET A 257 30.908 12.306 1.401 1.00 39.27 C +ATOM 2046 SD MET A 257 29.728 13.579 1.841 1.00 39.18 S +ATOM 2047 CE MET A 257 30.372 14.233 3.378 1.00 37.64 C +ATOM 2048 N VAL A 258 30.409 8.061 3.179 1.00 43.16 N +ATOM 2049 CA VAL A 258 30.193 7.135 4.286 1.00 43.38 C +ATOM 2050 C VAL A 258 31.281 6.062 4.293 1.00 43.98 C +ATOM 2051 O VAL A 258 31.797 5.710 5.354 1.00 44.33 O +ATOM 2052 CB VAL A 258 28.814 6.467 4.174 1.00 43.33 C +ATOM 2053 CG1 VAL A 258 28.648 5.449 5.281 1.00 43.91 C +ATOM 2054 CG2 VAL A 258 27.718 7.529 4.235 1.00 42.59 C +ATOM 2055 N ILE A 259 31.630 5.546 3.119 1.00 44.13 N +ATOM 2056 CA ILE A 259 32.672 4.529 3.016 1.00 45.06 C +ATOM 2057 C ILE A 259 33.989 5.115 3.486 1.00 45.69 C +ATOM 2058 O ILE A 259 34.750 4.442 4.181 1.00 46.83 O +ATOM 2059 CB ILE A 259 32.835 4.056 1.541 1.00 45.80 C +ATOM 2060 CG1 ILE A 259 31.572 3.331 1.086 1.00 46.47 C +ATOM 2061 CG2 ILE A 259 34.010 3.123 1.399 1.00 44.22 C +ATOM 2062 CD1 ILE A 259 31.193 2.204 2.003 1.00 46.71 C +ATOM 2063 N ALA A 260 34.255 6.365 3.108 1.00 45.07 N +ATOM 2064 CA ALA A 260 35.497 7.036 3.476 1.00 44.89 C +ATOM 2065 C ALA A 260 35.573 7.196 4.972 1.00 44.97 C +ATOM 2066 O ALA A 260 36.650 7.069 5.539 1.00 45.90 O +ATOM 2067 CB ALA A 260 35.600 8.407 2.781 1.00 43.92 C +ATOM 2068 N PHE A 261 34.443 7.463 5.615 1.00 44.53 N +ATOM 2069 CA PHE A 261 34.422 7.635 7.063 1.00 44.07 C +ATOM 2070 C PHE A 261 34.803 6.338 7.774 1.00 43.80 C +ATOM 2071 O PHE A 261 35.666 6.346 8.654 1.00 44.56 O +ATOM 2072 CB PHE A 261 33.028 8.069 7.530 1.00 44.15 C +ATOM 2073 CG PHE A 261 32.941 8.332 9.012 1.00 44.17 C +ATOM 2074 CD1 PHE A 261 33.192 9.604 9.520 1.00 44.40 C +ATOM 2075 CD2 PHE A 261 32.651 7.297 9.905 1.00 44.48 C +ATOM 2076 CE1 PHE A 261 33.157 9.840 10.898 1.00 44.74 C +ATOM 2077 CE2 PHE A 261 32.615 7.518 11.284 1.00 44.33 C +ATOM 2078 CZ PHE A 261 32.867 8.786 11.784 1.00 45.11 C +ATOM 2079 N LEU A 262 34.158 5.240 7.401 1.00 43.01 N +ATOM 2080 CA LEU A 262 34.404 3.942 8.027 1.00 42.82 C +ATOM 2081 C LEU A 262 35.836 3.495 7.867 1.00 42.93 C +ATOM 2082 O LEU A 262 36.436 3.010 8.836 1.00 43.71 O +ATOM 2083 CB LEU A 262 33.462 2.923 7.424 1.00 43.19 C +ATOM 2084 CG LEU A 262 32.027 3.393 7.628 1.00 42.97 C +ATOM 2085 CD1 LEU A 262 31.158 2.787 6.571 1.00 43.65 C +ATOM 2086 CD2 LEU A 262 31.553 3.040 9.022 1.00 42.36 C +ATOM 2087 N ILE A 263 36.375 3.633 6.656 1.00 42.66 N +ATOM 2088 CA ILE A 263 37.760 3.269 6.375 1.00 41.22 C +ATOM 2089 C ILE A 263 38.659 4.009 7.361 1.00 41.96 C +ATOM 2090 O ILE A 263 39.573 3.448 7.963 1.00 42.34 O +ATOM 2091 CB ILE A 263 38.136 3.701 4.956 1.00 39.00 C +ATOM 2092 CG1 ILE A 263 37.361 2.877 3.952 1.00 37.98 C +ATOM 2093 CG2 ILE A 263 39.611 3.555 4.734 1.00 37.48 C +ATOM 2094 CD1 ILE A 263 37.689 3.236 2.544 1.00 38.11 C +ATOM 2095 N CYS A 264 38.345 5.279 7.535 1.00 42.37 N +ATOM 2096 CA CYS A 264 39.088 6.173 8.382 1.00 42.51 C +ATOM 2097 C CYS A 264 38.882 5.909 9.844 1.00 42.47 C +ATOM 2098 O CYS A 264 39.824 6.081 10.595 1.00 43.11 O +ATOM 2099 CB CYS A 264 38.651 7.590 8.067 1.00 43.80 C +ATOM 2100 SG CYS A 264 39.838 8.849 8.435 1.00 48.58 S +ATOM 2101 N TRP A 265 37.697 5.480 10.272 1.00 41.32 N +ATOM 2102 CA TRP A 265 37.491 5.322 11.714 1.00 39.88 C +ATOM 2103 C TRP A 265 37.334 3.916 12.252 1.00 39.83 C +ATOM 2104 O TRP A 265 37.499 3.734 13.472 1.00 40.40 O +ATOM 2105 CB TRP A 265 36.302 6.178 12.158 1.00 39.25 C +ATOM 2106 CG TRP A 265 36.600 7.618 12.005 1.00 39.65 C +ATOM 2107 CD1 TRP A 265 36.220 8.441 10.980 1.00 39.45 C +ATOM 2108 CD2 TRP A 265 37.411 8.406 12.875 1.00 39.47 C +ATOM 2109 NE1 TRP A 265 36.745 9.701 11.159 1.00 38.24 N +ATOM 2110 CE2 TRP A 265 37.480 9.709 12.314 1.00 39.12 C +ATOM 2111 CE3 TRP A 265 38.093 8.142 14.074 1.00 37.66 C +ATOM 2112 CZ2 TRP A 265 38.201 10.743 12.920 1.00 38.36 C +ATOM 2113 CZ3 TRP A 265 38.805 9.159 14.664 1.00 38.25 C +ATOM 2114 CH2 TRP A 265 38.855 10.449 14.089 1.00 38.43 C +ATOM 2115 N LEU A 266 37.030 2.935 11.413 1.00 39.42 N +ATOM 2116 CA LEU A 266 36.858 1.588 11.929 1.00 39.21 C +ATOM 2117 C LEU A 266 38.126 1.071 12.571 1.00 39.24 C +ATOM 2118 O LEU A 266 38.090 0.541 13.670 1.00 38.45 O +ATOM 2119 CB LEU A 266 36.379 0.655 10.820 1.00 39.10 C +ATOM 2120 CG LEU A 266 34.875 0.324 10.837 1.00 38.25 C +ATOM 2121 CD1 LEU A 266 34.118 1.234 11.783 1.00 39.64 C +ATOM 2122 CD2 LEU A 266 34.332 0.443 9.443 1.00 37.96 C +ATOM 2123 N PRO A 267 39.272 1.228 11.912 1.00 39.49 N +ATOM 2124 CA PRO A 267 40.477 0.716 12.563 1.00 40.11 C +ATOM 2125 C PRO A 267 40.749 1.331 13.940 1.00 41.36 C +ATOM 2126 O PRO A 267 41.090 0.617 14.901 1.00 42.76 O +ATOM 2127 CB PRO A 267 41.570 0.993 11.530 1.00 39.26 C +ATOM 2128 CG PRO A 267 40.977 2.066 10.639 1.00 40.20 C +ATOM 2129 CD PRO A 267 39.549 1.698 10.546 1.00 39.36 C +ATOM 2130 N TYR A 268 40.593 2.642 14.050 1.00 42.00 N +ATOM 2131 CA TYR A 268 40.812 3.318 15.320 1.00 41.67 C +ATOM 2132 C TYR A 268 39.838 2.784 16.331 1.00 42.42 C +ATOM 2133 O TYR A 268 40.241 2.234 17.354 1.00 43.35 O +ATOM 2134 CB TYR A 268 40.571 4.818 15.178 1.00 40.92 C +ATOM 2135 CG TYR A 268 40.671 5.531 16.501 1.00 39.54 C +ATOM 2136 CD1 TYR A 268 41.894 5.629 17.154 1.00 38.40 C +ATOM 2137 CD2 TYR A 268 39.533 6.045 17.137 1.00 38.80 C +ATOM 2138 CE1 TYR A 268 41.990 6.206 18.388 1.00 37.50 C +ATOM 2139 CE2 TYR A 268 39.622 6.621 18.376 1.00 37.29 C +ATOM 2140 CZ TYR A 268 40.858 6.698 18.994 1.00 38.68 C +ATOM 2141 OH TYR A 268 40.988 7.267 20.233 1.00 40.78 O +ATOM 2142 N ALA A 269 38.554 2.972 16.040 1.00 42.70 N +ATOM 2143 CA ALA A 269 37.483 2.528 16.911 1.00 42.74 C +ATOM 2144 C ALA A 269 37.695 1.078 17.281 1.00 42.80 C +ATOM 2145 O ALA A 269 37.456 0.697 18.424 1.00 42.60 O +ATOM 2146 CB ALA A 269 36.140 2.712 16.214 1.00 41.88 C +ATOM 2147 N GLY A 270 38.147 0.274 16.327 1.00 43.14 N +ATOM 2148 CA GLY A 270 38.382 -1.136 16.605 1.00 43.35 C +ATOM 2149 C GLY A 270 39.465 -1.386 17.648 1.00 43.39 C +ATOM 2150 O GLY A 270 39.268 -2.126 18.610 1.00 44.19 O +ATOM 2151 N VAL A 271 40.623 -0.760 17.453 1.00 42.36 N +ATOM 2152 CA VAL A 271 41.699 -0.911 18.404 1.00 40.60 C +ATOM 2153 C VAL A 271 41.219 -0.377 19.725 1.00 41.41 C +ATOM 2154 O VAL A 271 41.452 -1.011 20.730 1.00 42.69 O +ATOM 2155 CB VAL A 271 42.942 -0.139 17.974 1.00 39.21 C +ATOM 2156 CG1 VAL A 271 43.997 -0.177 19.079 1.00 38.17 C +ATOM 2157 CG2 VAL A 271 43.483 -0.744 16.705 1.00 38.95 C +ATOM 2158 N ALA A 272 40.524 0.760 19.710 1.00 41.11 N +ATOM 2159 CA ALA A 272 40.018 1.405 20.924 1.00 40.53 C +ATOM 2160 C ALA A 272 39.068 0.497 21.697 1.00 40.69 C +ATOM 2161 O ALA A 272 39.143 0.418 22.933 1.00 40.45 O +ATOM 2162 CB ALA A 272 39.322 2.699 20.564 1.00 38.67 C +ATOM 2163 N PHE A 273 38.176 -0.189 21.000 1.00 40.87 N +ATOM 2164 CA PHE A 273 37.256 -1.052 21.710 1.00 42.13 C +ATOM 2165 C PHE A 273 38.005 -2.212 22.323 1.00 42.38 C +ATOM 2166 O PHE A 273 37.740 -2.602 23.468 1.00 42.82 O +ATOM 2167 CB PHE A 273 36.190 -1.596 20.778 1.00 43.26 C +ATOM 2168 CG PHE A 273 35.111 -2.324 21.500 1.00 44.26 C +ATOM 2169 CD1 PHE A 273 34.190 -1.621 22.280 1.00 44.29 C +ATOM 2170 CD2 PHE A 273 35.062 -3.712 21.478 1.00 44.41 C +ATOM 2171 CE1 PHE A 273 33.236 -2.288 23.034 1.00 44.36 C +ATOM 2172 CE2 PHE A 273 34.116 -4.394 22.224 1.00 44.22 C +ATOM 2173 CZ PHE A 273 33.199 -3.680 23.009 1.00 44.78 C +ATOM 2174 N TYR A 274 38.932 -2.769 21.553 1.00 42.58 N +ATOM 2175 CA TYR A 274 39.743 -3.895 22.002 1.00 42.30 C +ATOM 2176 C TYR A 274 40.352 -3.572 23.340 1.00 42.26 C +ATOM 2177 O TYR A 274 40.076 -4.232 24.333 1.00 43.54 O +ATOM 2178 CB TYR A 274 40.861 -4.156 21.005 1.00 42.30 C +ATOM 2179 CG TYR A 274 41.764 -5.270 21.434 1.00 44.18 C +ATOM 2180 CD1 TYR A 274 41.470 -6.583 21.111 1.00 45.76 C +ATOM 2181 CD2 TYR A 274 42.898 -5.018 22.195 1.00 45.63 C +ATOM 2182 CE1 TYR A 274 42.285 -7.634 21.534 1.00 47.47 C +ATOM 2183 CE2 TYR A 274 43.725 -6.057 22.626 1.00 46.88 C +ATOM 2184 CZ TYR A 274 43.412 -7.368 22.290 1.00 48.39 C +ATOM 2185 OH TYR A 274 44.231 -8.412 22.690 1.00 50.20 O +ATOM 2186 N ILE A 275 41.194 -2.548 23.342 1.00 41.35 N +ATOM 2187 CA ILE A 275 41.889 -2.074 24.528 1.00 40.94 C +ATOM 2188 C ILE A 275 40.926 -1.914 25.670 1.00 41.10 C +ATOM 2189 O ILE A 275 41.246 -2.288 26.793 1.00 40.37 O +ATOM 2190 CB ILE A 275 42.585 -0.709 24.245 1.00 40.44 C +ATOM 2191 CG1 ILE A 275 43.772 -0.925 23.301 1.00 40.17 C +ATOM 2192 CG2 ILE A 275 43.014 -0.048 25.556 1.00 39.62 C +ATOM 2193 CD1 ILE A 275 44.196 0.310 22.557 1.00 40.42 C +ATOM 2194 N PHE A 276 39.752 -1.356 25.396 1.00 41.67 N +ATOM 2195 CA PHE A 276 38.779 -1.147 26.457 1.00 42.21 C +ATOM 2196 C PHE A 276 38.413 -2.486 27.029 1.00 42.27 C +ATOM 2197 O PHE A 276 38.315 -2.659 28.247 1.00 42.68 O +ATOM 2198 CB PHE A 276 37.529 -0.446 25.914 1.00 40.99 C +ATOM 2199 CG PHE A 276 36.482 -0.186 26.962 1.00 38.90 C +ATOM 2200 CD1 PHE A 276 36.734 0.687 28.015 1.00 38.05 C +ATOM 2201 CD2 PHE A 276 35.245 -0.818 26.902 1.00 37.02 C +ATOM 2202 CE1 PHE A 276 35.765 0.927 28.989 1.00 36.37 C +ATOM 2203 CE2 PHE A 276 34.282 -0.577 27.873 1.00 35.04 C +ATOM 2204 CZ PHE A 276 34.544 0.296 28.915 1.00 34.91 C +ATOM 2205 N THR A 277 38.251 -3.448 26.142 1.00 42.46 N +ATOM 2206 CA THR A 277 37.876 -4.775 26.556 1.00 43.62 C +ATOM 2207 C THR A 277 39.092 -5.609 26.926 1.00 44.75 C +ATOM 2208 O THR A 277 38.947 -6.764 27.273 1.00 45.69 O +ATOM 2209 CB THR A 277 37.071 -5.447 25.451 1.00 43.11 C +ATOM 2210 OG1 THR A 277 37.854 -5.508 24.255 1.00 43.75 O +ATOM 2211 CG2 THR A 277 35.812 -4.641 25.181 1.00 42.27 C +ATOM 2212 N HIS A 278 40.289 -5.044 26.861 1.00 45.24 N +ATOM 2213 CA HIS A 278 41.483 -5.804 27.235 1.00 45.15 C +ATOM 2214 C HIS A 278 42.454 -4.871 27.939 1.00 45.51 C +ATOM 2215 O HIS A 278 43.643 -4.848 27.626 1.00 45.87 O +ATOM 2216 CB HIS A 278 42.148 -6.413 25.998 1.00 45.98 C +ATOM 2217 CG HIS A 278 41.332 -7.472 25.326 1.00 47.26 C +ATOM 2218 ND1 HIS A 278 40.135 -7.206 24.696 1.00 47.71 N +ATOM 2219 CD2 HIS A 278 41.537 -8.806 25.193 1.00 47.73 C +ATOM 2220 CE1 HIS A 278 39.639 -8.330 24.205 1.00 48.83 C +ATOM 2221 NE2 HIS A 278 40.470 -9.316 24.493 1.00 48.11 N +ATOM 2222 N GLN A 279 41.941 -4.105 28.890 1.00 44.65 N +ATOM 2223 CA GLN A 279 42.743 -3.146 29.618 1.00 44.79 C +ATOM 2224 C GLN A 279 43.864 -3.871 30.345 1.00 44.79 C +ATOM 2225 O GLN A 279 43.640 -4.936 30.873 1.00 45.93 O +ATOM 2226 CB GLN A 279 41.822 -2.400 30.587 1.00 44.85 C +ATOM 2227 CG GLN A 279 40.492 -2.055 29.930 1.00 46.41 C +ATOM 2228 CD GLN A 279 39.481 -1.432 30.868 1.00 47.55 C +ATOM 2229 OE1 GLN A 279 39.399 -0.207 30.997 1.00 49.15 O +ATOM 2230 NE2 GLN A 279 38.701 -2.275 31.531 1.00 46.51 N +ATOM 2231 N GLY A 280 45.075 -3.323 30.338 1.00 44.86 N +ATOM 2232 CA GLY A 280 46.174 -3.959 31.053 1.00 44.15 C +ATOM 2233 C GLY A 280 46.905 -5.103 30.371 1.00 44.62 C +ATOM 2234 O GLY A 280 47.923 -5.588 30.880 1.00 45.40 O +ATOM 2235 N SER A 281 46.386 -5.540 29.229 1.00 44.32 N +ATOM 2236 CA SER A 281 47.003 -6.617 28.476 1.00 44.32 C +ATOM 2237 C SER A 281 48.261 -6.115 27.827 1.00 44.28 C +ATOM 2238 O SER A 281 48.593 -4.935 27.948 1.00 43.43 O +ATOM 2239 CB SER A 281 46.048 -7.154 27.418 1.00 45.59 C +ATOM 2240 OG SER A 281 45.542 -6.112 26.606 1.00 46.94 O +ATOM 2241 N ASP A 282 48.934 -6.994 27.097 1.00 44.44 N +ATOM 2242 CA ASP A 282 50.206 -6.643 26.508 1.00 45.21 C +ATOM 2243 C ASP A 282 50.185 -6.109 25.075 1.00 45.22 C +ATOM 2244 O ASP A 282 50.551 -6.832 24.154 1.00 46.38 O +ATOM 2245 CB ASP A 282 51.134 -7.851 26.592 1.00 47.94 C +ATOM 2246 CG ASP A 282 52.594 -7.489 26.337 1.00 51.12 C +ATOM 2247 OD1 ASP A 282 52.899 -6.273 26.283 1.00 53.22 O +ATOM 2248 OD2 ASP A 282 53.436 -8.419 26.208 1.00 53.02 O +ATOM 2249 N PHE A 283 49.777 -4.861 24.871 1.00 43.61 N +ATOM 2250 CA PHE A 283 49.839 -4.277 23.535 1.00 41.92 C +ATOM 2251 C PHE A 283 50.973 -3.270 23.555 1.00 41.71 C +ATOM 2252 O PHE A 283 51.353 -2.827 24.633 1.00 41.81 O +ATOM 2253 CB PHE A 283 48.512 -3.604 23.130 1.00 41.74 C +ATOM 2254 CG PHE A 283 47.867 -2.805 24.211 1.00 40.74 C +ATOM 2255 CD1 PHE A 283 46.885 -3.368 25.008 1.00 40.95 C +ATOM 2256 CD2 PHE A 283 48.247 -1.489 24.442 1.00 41.36 C +ATOM 2257 CE1 PHE A 283 46.285 -2.635 26.028 1.00 40.95 C +ATOM 2258 CE2 PHE A 283 47.656 -0.743 25.459 1.00 41.42 C +ATOM 2259 CZ PHE A 283 46.671 -1.319 26.257 1.00 40.99 C +ATOM 2260 N GLY A 284 51.525 -2.911 22.398 1.00 42.13 N +ATOM 2261 CA GLY A 284 52.632 -1.960 22.386 1.00 41.42 C +ATOM 2262 C GLY A 284 52.278 -0.583 21.869 1.00 41.15 C +ATOM 2263 O GLY A 284 51.132 -0.349 21.492 1.00 41.21 O +ATOM 2264 N PRO A 285 53.249 0.348 21.821 1.00 40.27 N +ATOM 2265 CA PRO A 285 53.005 1.717 21.338 1.00 40.52 C +ATOM 2266 C PRO A 285 52.540 1.859 19.889 1.00 41.14 C +ATOM 2267 O PRO A 285 51.765 2.756 19.576 1.00 42.79 O +ATOM 2268 CB PRO A 285 54.348 2.423 21.593 1.00 39.31 C +ATOM 2269 CG PRO A 285 55.334 1.332 21.465 1.00 39.28 C +ATOM 2270 CD PRO A 285 54.661 0.177 22.201 1.00 39.35 C +ATOM 2271 N ILE A 286 52.996 0.976 19.010 1.00 41.31 N +ATOM 2272 CA ILE A 286 52.630 1.068 17.598 1.00 40.83 C +ATOM 2273 C ILE A 286 51.182 0.675 17.402 1.00 40.23 C +ATOM 2274 O ILE A 286 50.502 1.235 16.543 1.00 40.30 O +ATOM 2275 CB ILE A 286 53.541 0.156 16.725 1.00 41.27 C +ATOM 2276 CG1 ILE A 286 55.026 0.364 17.092 1.00 41.51 C +ATOM 2277 CG2 ILE A 286 53.308 0.454 15.256 1.00 41.59 C +ATOM 2278 CD1 ILE A 286 55.574 1.772 16.896 1.00 41.86 C +ATOM 2279 N PHE A 287 50.723 -0.275 18.208 1.00 39.88 N +ATOM 2280 CA PHE A 287 49.361 -0.774 18.140 1.00 38.89 C +ATOM 2281 C PHE A 287 48.375 0.329 17.787 1.00 39.45 C +ATOM 2282 O PHE A 287 47.716 0.250 16.741 1.00 40.57 O +ATOM 2283 CB PHE A 287 48.985 -1.418 19.481 1.00 38.14 C +ATOM 2284 CG PHE A 287 47.660 -2.146 19.470 1.00 36.53 C +ATOM 2285 CD1 PHE A 287 47.263 -2.900 18.367 1.00 36.38 C +ATOM 2286 CD2 PHE A 287 46.846 -2.148 20.600 1.00 36.07 C +ATOM 2287 CE1 PHE A 287 46.081 -3.647 18.397 1.00 34.98 C +ATOM 2288 CE2 PHE A 287 45.665 -2.891 20.644 1.00 34.56 C +ATOM 2289 CZ PHE A 287 45.286 -3.638 19.544 1.00 35.29 C +ATOM 2290 N MET A 288 48.287 1.369 18.611 1.00 39.45 N +ATOM 2291 CA MET A 288 47.308 2.441 18.378 1.00 38.54 C +ATOM 2292 C MET A 288 47.852 3.639 17.604 1.00 37.07 C +ATOM 2293 O MET A 288 47.081 4.466 17.122 1.00 36.39 O +ATOM 2294 CB MET A 288 46.718 2.892 19.721 1.00 39.66 C +ATOM 2295 CG MET A 288 45.702 4.014 19.623 1.00 40.12 C +ATOM 2296 SD MET A 288 44.301 3.691 18.533 1.00 42.85 S +ATOM 2297 CE MET A 288 42.959 3.521 19.732 1.00 41.67 C +ATOM 2298 N THR A 289 49.156 3.747 17.456 1.00 35.49 N +ATOM 2299 CA THR A 289 49.665 4.885 16.726 1.00 34.85 C +ATOM 2300 C THR A 289 49.176 4.855 15.280 1.00 35.92 C +ATOM 2301 O THR A 289 48.738 5.880 14.749 1.00 36.62 O +ATOM 2302 CB THR A 289 51.198 4.906 16.759 1.00 33.72 C +ATOM 2303 OG1 THR A 289 51.637 5.052 18.113 1.00 34.25 O +ATOM 2304 CG2 THR A 289 51.732 6.051 15.941 1.00 32.04 C +ATOM 2305 N ILE A 290 49.220 3.689 14.650 1.00 35.96 N +ATOM 2306 CA ILE A 290 48.832 3.593 13.252 1.00 35.16 C +ATOM 2307 C ILE A 290 47.394 4.019 12.952 1.00 35.52 C +ATOM 2308 O ILE A 290 47.197 4.883 12.112 1.00 36.96 O +ATOM 2309 CB ILE A 290 49.043 2.176 12.703 1.00 35.47 C +ATOM 2310 CG1 ILE A 290 50.435 1.656 13.076 1.00 34.59 C +ATOM 2311 CG2 ILE A 290 48.853 2.206 11.187 1.00 34.87 C +ATOM 2312 CD1 ILE A 290 51.532 2.352 12.374 1.00 34.48 C +ATOM 2313 N PRO A 291 46.379 3.430 13.607 1.00 34.86 N +ATOM 2314 CA PRO A 291 45.019 3.869 13.270 1.00 34.25 C +ATOM 2315 C PRO A 291 44.718 5.255 13.787 1.00 35.04 C +ATOM 2316 O PRO A 291 43.953 5.975 13.170 1.00 36.09 O +ATOM 2317 CB PRO A 291 44.139 2.802 13.915 1.00 33.39 C +ATOM 2318 CG PRO A 291 44.890 2.438 15.107 1.00 34.45 C +ATOM 2319 CD PRO A 291 46.334 2.348 14.606 1.00 34.66 C +ATOM 2320 N ALA A 292 45.324 5.625 14.912 1.00 35.81 N +ATOM 2321 CA ALA A 292 45.124 6.937 15.514 1.00 36.76 C +ATOM 2322 C ALA A 292 45.592 8.020 14.564 1.00 37.75 C +ATOM 2323 O ALA A 292 44.862 8.992 14.332 1.00 38.27 O +ATOM 2324 CB ALA A 292 45.887 7.029 16.820 1.00 36.63 C +ATOM 2325 N PHE A 293 46.797 7.870 14.013 1.00 38.23 N +ATOM 2326 CA PHE A 293 47.332 8.878 13.092 1.00 38.11 C +ATOM 2327 C PHE A 293 46.714 8.764 11.696 1.00 38.26 C +ATOM 2328 O PHE A 293 46.587 9.786 11.031 1.00 39.16 O +ATOM 2329 CB PHE A 293 48.881 8.812 13.022 1.00 36.80 C +ATOM 2330 CG PHE A 293 49.585 9.672 14.071 1.00 36.11 C +ATOM 2331 CD1 PHE A 293 49.547 9.322 15.428 1.00 35.60 C +ATOM 2332 CD2 PHE A 293 50.225 10.870 13.706 1.00 35.54 C +ATOM 2333 CE1 PHE A 293 50.126 10.153 16.400 1.00 35.37 C +ATOM 2334 CE2 PHE A 293 50.804 11.707 14.669 1.00 34.82 C +ATOM 2335 CZ PHE A 293 50.754 11.352 16.014 1.00 35.32 C +ATOM 2336 N PHE A 294 46.326 7.561 11.263 1.00 38.34 N +ATOM 2337 CA PHE A 294 45.732 7.396 9.940 1.00 37.55 C +ATOM 2338 C PHE A 294 44.389 8.078 9.893 1.00 37.97 C +ATOM 2339 O PHE A 294 44.026 8.649 8.875 1.00 38.24 O +ATOM 2340 CB PHE A 294 45.538 5.922 9.598 1.00 36.40 C +ATOM 2341 CG PHE A 294 44.619 5.700 8.433 1.00 34.43 C +ATOM 2342 CD1 PHE A 294 44.939 6.185 7.178 1.00 34.10 C +ATOM 2343 CD2 PHE A 294 43.411 5.053 8.598 1.00 34.69 C +ATOM 2344 CE1 PHE A 294 44.069 6.030 6.101 1.00 34.06 C +ATOM 2345 CE2 PHE A 294 42.530 4.893 7.519 1.00 34.79 C +ATOM 2346 CZ PHE A 294 42.865 5.383 6.275 1.00 34.72 C +ATOM 2347 N ALA A 295 43.659 8.005 11.001 1.00 39.05 N +ATOM 2348 CA ALA A 295 42.330 8.596 11.118 1.00 39.24 C +ATOM 2349 C ALA A 295 42.377 10.104 10.979 1.00 40.30 C +ATOM 2350 O ALA A 295 41.348 10.698 10.651 1.00 41.34 O +ATOM 2351 CB ALA A 295 41.707 8.218 12.446 1.00 38.03 C +ATOM 2352 N LYS A 296 43.538 10.727 11.209 1.00 40.81 N +ATOM 2353 CA LYS A 296 43.652 12.188 11.096 1.00 40.30 C +ATOM 2354 C LYS A 296 43.513 12.639 9.657 1.00 40.53 C +ATOM 2355 O LYS A 296 43.510 13.830 9.428 1.00 41.84 O +ATOM 2356 CB LYS A 296 44.959 12.672 11.641 1.00 39.15 C +ATOM 2357 CG LYS A 296 45.045 12.291 13.101 1.00 40.26 C +ATOM 2358 CD LYS A 296 46.393 12.695 13.669 1.00 40.04 C +ATOM 2359 CE LYS A 296 46.627 12.709 15.174 1.00 39.92 C +ATOM 2360 NZ LYS A 296 45.589 12.484 16.204 1.00 41.03 N +ATOM 2361 N THR A 297 43.430 11.724 8.693 1.00 40.51 N +ATOM 2362 CA THR A 297 43.258 12.147 7.309 1.00 39.77 C +ATOM 2363 C THR A 297 41.806 12.562 7.125 1.00 39.47 C +ATOM 2364 O THR A 297 41.417 13.080 6.070 1.00 39.23 O +ATOM 2365 CB THR A 297 43.636 11.025 6.313 1.00 39.22 C +ATOM 2366 OG1 THR A 297 42.953 9.810 6.657 1.00 39.19 O +ATOM 2367 CG2 THR A 297 45.127 10.805 6.321 1.00 37.46 C +ATOM 2368 N SER A 298 41.021 12.359 8.183 1.00 39.85 N +ATOM 2369 CA SER A 298 39.600 12.706 8.205 1.00 40.19 C +ATOM 2370 C SER A 298 39.404 14.208 8.059 1.00 40.81 C +ATOM 2371 O SER A 298 38.282 14.663 7.779 1.00 41.84 O +ATOM 2372 CB SER A 298 38.982 12.264 9.525 1.00 39.91 C +ATOM 2373 OG SER A 298 39.522 13.012 10.599 1.00 38.78 O +ATOM 2374 N ALA A 299 40.474 14.971 8.263 1.00 40.27 N +ATOM 2375 CA ALA A 299 40.401 16.420 8.162 1.00 40.56 C +ATOM 2376 C ALA A 299 40.595 16.845 6.742 1.00 41.33 C +ATOM 2377 O ALA A 299 40.545 18.049 6.462 1.00 41.15 O +ATOM 2378 CB ALA A 299 41.460 17.078 9.050 1.00 39.49 C +ATOM 2379 N VAL A 300 40.796 15.896 5.823 1.00 41.90 N +ATOM 2380 CA VAL A 300 41.029 16.278 4.428 1.00 42.45 C +ATOM 2381 C VAL A 300 40.230 15.502 3.380 1.00 42.33 C +ATOM 2382 O VAL A 300 39.856 16.088 2.371 1.00 42.72 O +ATOM 2383 CB VAL A 300 42.515 16.138 4.073 1.00 42.68 C +ATOM 2384 CG1 VAL A 300 43.356 16.903 5.048 1.00 42.19 C +ATOM 2385 CG2 VAL A 300 42.916 14.687 4.112 1.00 44.55 C +ATOM 2386 N TYR A 301 39.946 14.224 3.587 1.00 42.05 N +ATOM 2387 CA TYR A 301 39.275 13.498 2.521 1.00 42.24 C +ATOM 2388 C TYR A 301 37.918 14.034 2.166 1.00 42.58 C +ATOM 2389 O TYR A 301 37.562 13.923 1.014 1.00 43.44 O +ATOM 2390 CB TYR A 301 39.196 11.999 2.823 1.00 41.68 C +ATOM 2391 CG TYR A 301 38.142 11.606 3.813 1.00 41.42 C +ATOM 2392 CD1 TYR A 301 36.794 11.573 3.459 1.00 42.24 C +ATOM 2393 CD2 TYR A 301 38.488 11.311 5.121 1.00 41.29 C +ATOM 2394 CE1 TYR A 301 35.813 11.265 4.402 1.00 42.59 C +ATOM 2395 CE2 TYR A 301 37.529 10.998 6.066 1.00 42.48 C +ATOM 2396 CZ TYR A 301 36.192 10.982 5.713 1.00 42.81 C +ATOM 2397 OH TYR A 301 35.260 10.744 6.702 1.00 42.89 O +ATOM 2398 N ASN A 302 37.167 14.622 3.093 1.00 42.92 N +ATOM 2399 CA ASN A 302 35.820 15.105 2.745 1.00 43.04 C +ATOM 2400 C ASN A 302 35.813 16.060 1.561 1.00 43.21 C +ATOM 2401 O ASN A 302 35.075 15.817 0.600 1.00 43.79 O +ATOM 2402 CB ASN A 302 35.138 15.748 3.944 1.00 43.14 C +ATOM 2403 CG ASN A 302 34.535 14.720 4.876 1.00 44.68 C +ATOM 2404 OD1 ASN A 302 34.880 14.645 6.080 1.00 45.47 O +ATOM 2405 ND2 ASN A 302 33.630 13.905 4.332 1.00 43.72 N +ATOM 2406 N PRO A 303 36.606 17.153 1.604 1.00 43.10 N +ATOM 2407 CA PRO A 303 36.655 18.118 0.491 1.00 42.50 C +ATOM 2408 C PRO A 303 37.106 17.498 -0.826 1.00 41.95 C +ATOM 2409 O PRO A 303 36.653 17.916 -1.893 1.00 41.99 O +ATOM 2410 CB PRO A 303 37.646 19.170 0.987 1.00 42.71 C +ATOM 2411 CG PRO A 303 37.463 19.133 2.449 1.00 42.99 C +ATOM 2412 CD PRO A 303 37.382 17.657 2.751 1.00 42.57 C +ATOM 2413 N VAL A 304 37.990 16.509 -0.757 1.00 41.05 N +ATOM 2414 CA VAL A 304 38.475 15.873 -1.970 1.00 40.88 C +ATOM 2415 C VAL A 304 37.340 15.141 -2.654 1.00 40.60 C +ATOM 2416 O VAL A 304 37.148 15.275 -3.856 1.00 40.31 O +ATOM 2417 CB VAL A 304 39.641 14.893 -1.659 1.00 41.06 C +ATOM 2418 CG1 VAL A 304 40.173 14.273 -2.937 1.00 40.35 C +ATOM 2419 CG2 VAL A 304 40.755 15.640 -0.966 1.00 40.89 C +ATOM 2420 N ILE A 305 36.580 14.379 -1.884 1.00 41.11 N +ATOM 2421 CA ILE A 305 35.472 13.616 -2.432 1.00 42.14 C +ATOM 2422 C ILE A 305 34.473 14.568 -3.045 1.00 42.34 C +ATOM 2423 O ILE A 305 33.898 14.300 -4.097 1.00 42.73 O +ATOM 2424 CB ILE A 305 34.794 12.781 -1.323 1.00 42.17 C +ATOM 2425 CG1 ILE A 305 35.799 11.781 -0.742 1.00 41.98 C +ATOM 2426 CG2 ILE A 305 33.610 12.040 -1.884 1.00 42.40 C +ATOM 2427 CD1 ILE A 305 35.222 10.899 0.311 1.00 42.11 C +ATOM 2428 N TYR A 306 34.301 15.701 -2.387 1.00 42.85 N +ATOM 2429 CA TYR A 306 33.358 16.733 -2.786 1.00 43.67 C +ATOM 2430 C TYR A 306 33.724 17.343 -4.130 1.00 44.87 C +ATOM 2431 O TYR A 306 32.904 17.387 -5.036 1.00 45.65 O +ATOM 2432 CB TYR A 306 33.357 17.786 -1.682 1.00 42.80 C +ATOM 2433 CG TYR A 306 32.378 18.934 -1.810 1.00 41.96 C +ATOM 2434 CD1 TYR A 306 31.069 18.738 -2.257 1.00 41.00 C +ATOM 2435 CD2 TYR A 306 32.743 20.210 -1.380 1.00 40.74 C +ATOM 2436 CE1 TYR A 306 30.150 19.800 -2.264 1.00 40.31 C +ATOM 2437 CE2 TYR A 306 31.848 21.265 -1.373 1.00 40.44 C +ATOM 2438 CZ TYR A 306 30.557 21.065 -1.812 1.00 41.38 C +ATOM 2439 OH TYR A 306 29.689 22.139 -1.767 1.00 42.20 O +ATOM 2440 N ILE A 307 34.954 17.811 -4.257 1.00 45.55 N +ATOM 2441 CA ILE A 307 35.397 18.432 -5.484 1.00 46.20 C +ATOM 2442 C ILE A 307 35.446 17.432 -6.633 1.00 48.27 C +ATOM 2443 O ILE A 307 35.173 17.803 -7.781 1.00 49.61 O +ATOM 2444 CB ILE A 307 36.752 19.050 -5.253 1.00 44.78 C +ATOM 2445 CG1 ILE A 307 36.637 19.996 -4.068 1.00 44.21 C +ATOM 2446 CG2 ILE A 307 37.219 19.781 -6.488 1.00 44.31 C +ATOM 2447 CD1 ILE A 307 37.939 20.413 -3.501 1.00 45.27 C +ATOM 2448 N MET A 308 35.767 16.175 -6.348 1.00 49.48 N +ATOM 2449 CA MET A 308 35.831 15.174 -7.407 1.00 50.45 C +ATOM 2450 C MET A 308 34.445 14.653 -7.776 1.00 51.24 C +ATOM 2451 O MET A 308 34.238 14.200 -8.919 1.00 51.71 O +ATOM 2452 CB MET A 308 36.707 13.990 -6.980 1.00 51.07 C +ATOM 2453 CG MET A 308 38.065 14.374 -6.431 1.00 52.58 C +ATOM 2454 SD MET A 308 38.902 15.651 -7.396 1.00 54.18 S +ATOM 2455 CE MET A 308 38.880 14.902 -8.936 1.00 54.19 C +ATOM 2456 N MET A 309 33.499 14.708 -6.838 1.00 52.10 N +ATOM 2457 CA MET A 309 32.157 14.172 -7.101 1.00 52.25 C +ATOM 2458 C MET A 309 31.077 15.249 -7.203 1.00 51.82 C +ATOM 2459 O MET A 309 29.900 14.959 -6.986 1.00 51.58 O +ATOM 2460 CB MET A 309 31.773 13.147 -6.024 1.00 52.34 C +ATOM 2461 CG MET A 309 32.688 11.931 -5.963 1.00 52.54 C +ATOM 2462 SD MET A 309 32.050 10.663 -4.856 1.00 53.65 S +ATOM 2463 CE MET A 309 30.866 9.882 -5.921 1.00 53.61 C +ATOM 2464 N ASN A 310 31.455 16.474 -7.539 1.00 51.27 N +ATOM 2465 CA ASN A 310 30.458 17.511 -7.660 1.00 50.82 C +ATOM 2466 C ASN A 310 30.859 18.472 -8.729 1.00 51.62 C +ATOM 2467 O ASN A 310 31.595 19.425 -8.455 1.00 51.79 O +ATOM 2468 CB ASN A 310 30.307 18.224 -6.348 1.00 49.80 C +ATOM 2469 CG ASN A 310 28.915 18.685 -6.128 1.00 49.50 C +ATOM 2470 OD1 ASN A 310 28.577 19.849 -6.372 1.00 48.10 O +ATOM 2471 ND2 ASN A 310 28.067 17.764 -5.680 1.00 49.32 N +ATOM 2472 N LYS A 311 30.371 18.224 -9.944 1.00 51.93 N +ATOM 2473 CA LYS A 311 30.693 19.042 -11.105 1.00 52.55 C +ATOM 2474 C LYS A 311 30.421 20.504 -10.825 1.00 52.34 C +ATOM 2475 O LYS A 311 31.208 21.347 -11.255 1.00 53.34 O +ATOM 2476 CB LYS A 311 29.879 18.577 -12.320 1.00 53.76 C +ATOM 2477 CG LYS A 311 30.543 18.809 -13.696 1.00 56.46 C +ATOM 2478 CD LYS A 311 31.240 17.531 -14.257 1.00 58.75 C +ATOM 2479 CE LYS A 311 31.672 17.659 -15.744 1.00 59.26 C +ATOM 2480 NZ LYS A 311 32.651 18.760 -15.986 1.00 59.04 N +ATOM 2481 N GLN A 312 29.345 20.815 -10.099 1.00 51.86 N +ATOM 2482 CA GLN A 312 29.012 22.211 -9.821 1.00 50.97 C +ATOM 2483 C GLN A 312 29.961 22.877 -8.862 1.00 50.06 C +ATOM 2484 O GLN A 312 30.321 24.020 -9.094 1.00 50.53 O +ATOM 2485 CB GLN A 312 27.604 22.366 -9.265 1.00 51.93 C +ATOM 2486 CG GLN A 312 27.317 23.836 -8.887 1.00 54.40 C +ATOM 2487 CD GLN A 312 25.913 24.089 -8.310 1.00 55.80 C +ATOM 2488 OE1 GLN A 312 25.533 23.541 -7.262 1.00 56.77 O +ATOM 2489 NE2 GLN A 312 25.143 24.935 -8.991 1.00 56.38 N +ATOM 2490 N PHE A 313 30.348 22.213 -7.777 1.00 48.56 N +ATOM 2491 CA PHE A 313 31.258 22.840 -6.832 1.00 45.99 C +ATOM 2492 C PHE A 313 32.636 22.944 -7.431 1.00 45.66 C +ATOM 2493 O PHE A 313 33.309 23.938 -7.231 1.00 44.31 O +ATOM 2494 CB PHE A 313 31.322 22.043 -5.549 1.00 45.26 C +ATOM 2495 CG PHE A 313 32.146 22.694 -4.503 1.00 44.35 C +ATOM 2496 CD1 PHE A 313 31.658 23.793 -3.810 1.00 43.88 C +ATOM 2497 CD2 PHE A 313 33.438 22.242 -4.239 1.00 44.61 C +ATOM 2498 CE1 PHE A 313 32.444 24.440 -2.866 1.00 44.09 C +ATOM 2499 CE2 PHE A 313 34.238 22.878 -3.296 1.00 44.31 C +ATOM 2500 CZ PHE A 313 33.742 23.980 -2.607 1.00 44.15 C +ATOM 2501 N ARG A 314 33.049 21.912 -8.159 1.00 46.07 N +ATOM 2502 CA ARG A 314 34.356 21.887 -8.811 1.00 46.86 C +ATOM 2503 C ARG A 314 34.483 23.074 -9.754 1.00 47.61 C +ATOM 2504 O ARG A 314 35.515 23.731 -9.806 1.00 46.24 O +ATOM 2505 CB ARG A 314 34.513 20.582 -9.589 1.00 45.95 C +ATOM 2506 CG ARG A 314 35.866 20.396 -10.220 1.00 45.03 C +ATOM 2507 CD ARG A 314 36.034 18.952 -10.647 1.00 44.68 C +ATOM 2508 NE ARG A 314 35.141 18.526 -11.725 1.00 43.80 N +ATOM 2509 CZ ARG A 314 34.273 17.521 -11.623 1.00 44.16 C +ATOM 2510 NH1 ARG A 314 34.155 16.845 -10.487 1.00 44.35 N +ATOM 2511 NH2 ARG A 314 33.564 17.142 -12.676 1.00 44.67 N +ATOM 2512 N ASN A 315 33.414 23.330 -10.493 1.00 49.36 N +ATOM 2513 CA ASN A 315 33.347 24.426 -11.444 1.00 51.80 C +ATOM 2514 C ASN A 315 33.394 25.754 -10.746 1.00 53.62 C +ATOM 2515 O ASN A 315 34.075 26.657 -11.213 1.00 54.30 O +ATOM 2516 CB ASN A 315 32.060 24.327 -12.233 1.00 52.21 C +ATOM 2517 CG ASN A 315 32.256 23.663 -13.544 1.00 54.38 C +ATOM 2518 OD1 ASN A 315 32.756 24.282 -14.477 1.00 57.05 O +ATOM 2519 ND2 ASN A 315 31.890 22.386 -13.633 1.00 55.09 N +ATOM 2520 N CYS A 316 32.653 25.887 -9.650 1.00 55.48 N +ATOM 2521 CA CYS A 316 32.641 27.139 -8.890 1.00 57.05 C +ATOM 2522 C CYS A 316 34.029 27.388 -8.336 1.00 58.17 C +ATOM 2523 O CYS A 316 34.420 28.542 -8.148 1.00 58.87 O +ATOM 2524 CB CYS A 316 31.617 27.089 -7.737 1.00 56.58 C +ATOM 2525 SG CYS A 316 29.919 27.553 -8.199 1.00 55.84 S +ATOM 2526 N MET A 317 34.768 26.311 -8.084 1.00 59.05 N +ATOM 2527 CA MET A 317 36.122 26.409 -7.562 1.00 58.87 C +ATOM 2528 C MET A 317 37.060 26.823 -8.689 1.00 58.41 C +ATOM 2529 O MET A 317 37.882 27.718 -8.503 1.00 57.38 O +ATOM 2530 CB MET A 317 36.547 25.062 -6.994 1.00 59.54 C +ATOM 2531 CG MET A 317 37.944 25.065 -6.417 1.00 60.71 C +ATOM 2532 SD MET A 317 38.527 23.397 -6.188 1.00 63.89 S +ATOM 2533 CE MET A 317 38.980 22.924 -8.005 1.00 61.24 C +ATOM 2534 N VAL A 318 36.941 26.167 -9.844 1.00 58.22 N +ATOM 2535 CA VAL A 318 37.772 26.504 -10.988 1.00 58.23 C +ATOM 2536 C VAL A 318 37.479 27.929 -11.342 1.00 59.38 C +ATOM 2537 O VAL A 318 38.385 28.688 -11.614 1.00 59.91 O +ATOM 2538 CB VAL A 318 37.460 25.640 -12.195 1.00 56.78 C +ATOM 2539 CG1 VAL A 318 38.290 26.080 -13.355 1.00 55.47 C +ATOM 2540 CG2 VAL A 318 37.745 24.206 -11.875 1.00 57.63 C +ATOM 2541 N THR A 319 36.205 28.299 -11.330 1.00 60.21 N +ATOM 2542 CA THR A 319 35.818 29.670 -11.632 1.00 60.64 C +ATOM 2543 C THR A 319 36.507 30.611 -10.667 1.00 61.29 C +ATOM 2544 O THR A 319 37.049 31.616 -11.091 1.00 61.78 O +ATOM 2545 CB THR A 319 34.302 29.857 -11.513 1.00 60.39 C +ATOM 2546 OG1 THR A 319 33.664 29.357 -12.693 1.00 61.40 O +ATOM 2547 CG2 THR A 319 33.965 31.311 -11.330 1.00 60.66 C +ATOM 2548 N THR A 320 36.486 30.280 -9.377 1.00 62.25 N +ATOM 2549 CA THR A 320 37.111 31.102 -8.340 1.00 63.22 C +ATOM 2550 C THR A 320 38.619 31.138 -8.531 1.00 65.00 C +ATOM 2551 O THR A 320 39.179 32.218 -8.667 1.00 64.19 O +ATOM 2552 CB THR A 320 36.794 30.550 -6.928 1.00 62.86 C +ATOM 2553 OG1 THR A 320 35.377 30.532 -6.729 1.00 63.11 O +ATOM 2554 CG2 THR A 320 37.410 31.422 -5.855 1.00 61.82 C +ATOM 2555 N LEU A 321 39.267 29.971 -8.535 1.00 67.89 N +ATOM 2556 CA LEU A 321 40.718 29.891 -8.713 1.00 70.92 C +ATOM 2557 C LEU A 321 41.160 30.667 -9.938 1.00 74.10 C +ATOM 2558 O LEU A 321 42.120 31.424 -9.832 1.00 74.29 O +ATOM 2559 CB LEU A 321 41.178 28.435 -8.847 1.00 69.23 C +ATOM 2560 CG LEU A 321 41.314 27.582 -7.588 1.00 67.32 C +ATOM 2561 CD1 LEU A 321 41.736 26.185 -7.974 1.00 66.89 C +ATOM 2562 CD2 LEU A 321 42.334 28.181 -6.669 1.00 66.28 C +ATOM 2563 N CYS A 322 40.482 30.487 -11.078 1.00 78.44 N +ATOM 2564 CA CYS A 322 40.835 31.190 -12.319 1.00 82.99 C +ATOM 2565 C CYS A 322 40.571 32.661 -12.178 1.00 85.44 C +ATOM 2566 O CYS A 322 40.216 33.310 -13.153 1.00 85.76 O +ATOM 2567 CB CYS A 322 40.095 30.680 -13.558 1.00 84.00 C +ATOM 2568 SG CYS A 322 40.200 28.891 -13.832 1.00 88.36 S +ATOM 2569 N CYS A 323 40.733 33.157 -10.951 1.00 88.92 N +ATOM 2570 CA CYS A 323 40.564 34.565 -10.579 1.00 92.40 C +ATOM 2571 C CYS A 323 39.303 35.137 -11.195 1.00 93.52 C +ATOM 2572 O CYS A 323 38.373 35.452 -10.462 1.00 94.02 O +ATOM 2573 CB CYS A 323 41.787 35.378 -11.000 1.00 93.13 C +ATOM 2574 SG CYS A 323 43.328 34.809 -10.190 1.00 97.77 S +ATOM 2575 N GLY A 324 39.267 35.286 -12.512 1.00 95.26 N +ATOM 2576 CA GLY A 324 38.075 35.806 -13.153 1.00 97.48 C +ATOM 2577 C GLY A 324 36.999 34.739 -13.174 1.00 99.06 C +ATOM 2578 O GLY A 324 36.445 34.393 -12.142 1.00 98.88 O +ATOM 2579 N LYS A 325 36.701 34.215 -14.354 1.00100.80 N +ATOM 2580 CA LYS A 325 35.694 33.172 -14.481 1.00102.88 C +ATOM 2581 C LYS A 325 36.211 32.128 -15.437 1.00104.27 C +ATOM 2582 O LYS A 325 37.259 31.515 -15.173 1.00103.95 O +ATOM 2583 CB LYS A 325 34.364 33.744 -15.013 1.00103.52 C +ATOM 2584 CG LYS A 325 33.211 32.729 -15.015 1.00103.72 C +ATOM 2585 CD LYS A 325 32.142 33.025 -16.055 1.00103.15 C +ATOM 2586 CE LYS A 325 31.171 31.867 -16.090 1.00103.27 C +ATOM 2587 NZ LYS A 325 30.294 31.896 -17.263 1.00102.69 N +ATOM 2588 N ASN A 326 35.494 31.948 -16.548 1.00105.98 N +ATOM 2589 CA ASN A 326 35.859 30.966 -17.554 1.00107.38 C +ATOM 2590 C ASN A 326 35.984 29.629 -16.849 1.00108.23 C +ATOM 2591 O ASN A 326 37.095 29.134 -16.639 1.00107.85 O +ATOM 2592 CB ASN A 326 37.176 31.381 -18.223 1.00107.78 C +ATOM 2593 CG ASN A 326 37.681 30.359 -19.216 1.00108.33 C +ATOM 2594 OD1 ASN A 326 36.927 29.836 -20.045 1.00108.48 O +ATOM 2595 ND2 ASN A 326 38.974 30.079 -19.150 1.00108.49 N +ATOM 2596 N PRO A 327 34.836 29.040 -16.446 1.00109.17 N +ATOM 2597 CA PRO A 327 34.801 27.751 -15.748 1.00109.87 C +ATOM 2598 C PRO A 327 35.182 26.585 -16.647 1.00110.75 C +ATOM 2599 O PRO A 327 34.724 25.464 -16.401 1.00111.02 O +ATOM 2600 CB PRO A 327 33.354 27.667 -15.257 1.00109.46 C +ATOM 2601 CG PRO A 327 32.602 28.328 -16.363 1.00109.53 C +ATOM 2602 CD PRO A 327 33.467 29.546 -16.671 1.00109.36 C +ATOM 2603 N LEU A 328 36.009 26.854 -17.664 1.00111.40 N +ATOM 2604 CA LEU A 328 36.481 25.848 -18.630 1.00111.99 C +ATOM 2605 C LEU A 328 35.712 24.543 -18.524 1.00112.88 C +ATOM 2606 O LEU A 328 34.593 24.452 -19.045 1.00113.43 O +ATOM 2607 CB LEU A 328 37.974 25.556 -18.431 1.00111.04 C +ATOM 2608 CG LEU A 328 38.959 26.683 -18.722 1.00110.56 C +ATOM 2609 CD1 LEU A 328 38.513 27.398 -19.998 1.00110.06 C +ATOM 2610 CD2 LEU A 328 39.028 27.639 -17.543 1.00109.80 C +ATOM 2611 N GLY A 329 36.325 23.554 -17.860 1.00113.30 N +ATOM 2612 CA GLY A 329 35.736 22.234 -17.668 1.00113.60 C +ATOM 2613 C GLY A 329 34.661 21.866 -18.668 1.00114.06 C +ATOM 2614 O GLY A 329 34.807 22.040 -19.884 1.00114.36 O +ATOM 2615 N ASP A 330 33.580 21.314 -18.140 1.00114.20 N +ATOM 2616 CA ASP A 330 32.422 20.972 -18.943 1.00114.52 C +ATOM 2617 C ASP A 330 31.262 21.713 -18.301 1.00115.39 C +ATOM 2618 O ASP A 330 30.115 21.537 -18.711 1.00116.04 O +ATOM 2619 CB ASP A 330 32.160 19.458 -18.910 1.00112.70 C +ATOM 2620 CG ASP A 330 33.254 18.660 -19.582 1.00111.12 C +ATOM 2621 OD1 ASP A 330 33.060 17.443 -19.786 1.00110.11 O +ATOM 2622 OD2 ASP A 330 34.308 19.246 -19.902 1.00110.08 O +ATOM 2623 N ASP A 331 31.589 22.571 -17.325 1.00115.95 N +ATOM 2624 CA ASP A 331 30.606 23.326 -16.527 1.00116.44 C +ATOM 2625 C ASP A 331 29.782 22.244 -15.803 1.00116.30 C +ATOM 2626 O ASP A 331 30.336 21.164 -15.521 1.00116.34 O +ATOM 2627 CB ASP A 331 29.707 24.230 -17.425 1.00116.73 C +ATOM 2628 CG ASP A 331 29.906 25.761 -17.167 1.00117.42 C +ATOM 2629 OD1 ASP A 331 29.532 26.273 -16.079 1.00117.21 O +ATOM 2630 OD2 ASP A 331 30.429 26.459 -18.072 1.00118.04 O +ATOM 2631 N GLU A 332 28.512 22.508 -15.489 1.00115.69 N +ATOM 2632 CA GLU A 332 27.659 21.497 -14.849 1.00114.34 C +ATOM 2633 C GLU A 332 26.561 21.132 -15.857 1.00113.79 C +ATOM 2634 O GLU A 332 25.743 20.238 -15.597 1.00113.40 O +ATOM 2635 CB GLU A 332 27.029 22.051 -13.555 1.00113.82 C +ATOM 2636 CG GLU A 332 26.759 21.014 -12.430 1.00113.49 C +ATOM 2637 CD GLU A 332 25.518 20.120 -12.639 1.00113.14 C +ATOM 2638 OE1 GLU A 332 25.547 19.212 -13.496 1.00112.70 O +ATOM 2639 OE2 GLU A 332 24.507 20.320 -11.931 1.00112.71 O +ATOM 2640 N ALA A 333 26.571 21.813 -17.011 1.00112.60 N +ATOM 2641 CA ALA A 333 25.571 21.617 -18.070 1.00110.91 C +ATOM 2642 C ALA A 333 24.268 22.148 -17.532 1.00109.43 C +ATOM 2643 O ALA A 333 23.406 22.622 -18.286 1.00109.54 O +ATOM 2644 CB ALA A 333 25.433 20.131 -18.426 1.00111.42 C +ATOM 2645 N SER A 334 24.155 22.058 -16.208 1.00107.01 N +ATOM 2646 CA SER A 334 23.014 22.531 -15.448 1.00104.33 C +ATOM 2647 C SER A 334 23.439 23.807 -14.700 1.00102.04 C +ATOM 2648 O SER A 334 24.455 24.425 -15.055 1.00101.20 O +ATOM 2649 CB SER A 334 22.542 21.437 -14.469 1.00104.53 C +ATOM 2650 OG SER A 334 22.085 20.277 -15.158 1.00104.37 O +ATOM 2651 N THR A 335 22.676 24.184 -13.678 1.00 99.91 N +ATOM 2652 CA THR A 335 22.926 25.397 -12.897 1.00 97.76 C +ATOM 2653 C THR A 335 24.411 25.674 -12.639 1.00 95.39 C +ATOM 2654 O THR A 335 25.266 24.788 -12.743 1.00 94.72 O +ATOM 2655 CB THR A 335 22.144 25.360 -11.526 1.00 98.45 C +ATOM 2656 OG1 THR A 335 22.424 24.137 -10.830 1.00 98.50 O +ATOM 2657 CG2 THR A 335 20.631 25.458 -11.757 1.00 98.39 C +ATOM 2658 N THR A 336 24.694 26.932 -12.321 1.00 92.53 N +ATOM 2659 CA THR A 336 26.035 27.407 -12.008 1.00 89.69 C +ATOM 2660 C THR A 336 25.882 28.333 -10.798 1.00 87.30 C +ATOM 2661 O THR A 336 24.785 28.379 -10.245 1.00 86.86 O +ATOM 2662 CB THR A 336 26.639 28.160 -13.227 1.00 90.04 C +ATOM 2663 OG1 THR A 336 25.574 28.650 -14.057 1.00 89.89 O +ATOM 2664 CG2 THR A 336 27.548 27.224 -14.052 1.00 90.41 C +ATOM 2665 N VAL A 337 26.935 29.031 -10.364 1.00 84.79 N +ATOM 2666 CA VAL A 337 26.817 29.941 -9.218 1.00 81.89 C +ATOM 2667 C VAL A 337 28.100 30.654 -8.913 1.00 79.73 C +ATOM 2668 O VAL A 337 29.163 30.150 -9.169 1.00 77.63 O +ATOM 2669 CB VAL A 337 26.356 29.219 -7.942 1.00 82.00 C +ATOM 2670 CG1 VAL A 337 26.965 27.842 -7.856 1.00 82.25 C +ATOM 2671 CG2 VAL A 337 26.749 30.034 -6.732 1.00 82.57 C +ATOM 2672 N SER A 338 27.975 31.842 -8.358 1.00 78.60 N +ATOM 2673 CA SER A 338 29.121 32.627 -8.015 1.00 78.74 C +ATOM 2674 C SER A 338 28.666 33.879 -7.334 1.00 81.68 C +ATOM 2675 O SER A 338 27.669 33.861 -6.603 1.00 81.17 O +ATOM 2676 CB SER A 338 29.886 32.983 -9.260 1.00 76.21 C +ATOM 2677 OG SER A 338 29.890 31.886 -10.125 1.00 73.86 O +ATOM 2678 N LYS A 339 29.378 34.974 -7.594 1.00 84.78 N +ATOM 2679 CA LYS A 339 29.087 36.275 -6.979 1.00 87.97 C +ATOM 2680 C LYS A 339 28.468 37.316 -7.975 1.00 89.67 C +ATOM 2681 O LYS A 339 27.272 37.616 -7.842 1.00 90.21 O +ATOM 2682 CB LYS A 339 30.382 36.821 -6.353 1.00 88.24 C +ATOM 2683 CG LYS A 339 30.197 37.906 -5.284 1.00 89.20 C +ATOM 2684 CD LYS A 339 31.536 38.579 -4.950 1.00 88.95 C +ATOM 2685 CE LYS A 339 32.136 39.250 -6.189 1.00 87.89 C +ATOM 2686 NZ LYS A 339 33.504 39.758 -5.943 1.00 86.67 N +ATOM 2687 N THR A 340 29.242 37.855 -8.933 1.00 90.97 N +ATOM 2688 CA THR A 340 28.720 38.859 -9.890 1.00 92.41 C +ATOM 2689 C THR A 340 28.493 38.294 -11.308 1.00 92.93 C +ATOM 2690 O THR A 340 27.836 38.967 -12.141 1.00 93.30 O +ATOM 2691 CB THR A 340 29.668 40.091 -10.015 1.00 92.51 C +ATOM 2692 OG1 THR A 340 29.128 41.025 -10.969 1.00 92.61 O +ATOM 2693 CG2 THR A 340 31.065 39.649 -10.468 1.00 92.75 C +ATOM 2694 N GLU A 341 29.021 37.095 -11.584 1.00 92.74 N +ATOM 2695 CA GLU A 341 28.869 36.459 -12.904 1.00 92.06 C +ATOM 2696 C GLU A 341 27.427 36.009 -13.134 1.00 91.23 C +ATOM 2697 O GLU A 341 26.484 36.834 -13.076 1.00 91.70 O +ATOM 2698 CB GLU A 341 29.816 35.239 -13.065 1.00 92.98 C +ATOM 2699 CG GLU A 341 29.454 33.984 -12.239 1.00 92.47 C +ATOM 2700 CD GLU A 341 29.787 32.683 -12.959 1.00 91.97 C +ATOM 2701 OE1 GLU A 341 29.342 32.502 -14.109 1.00 91.44 O +ATOM 2702 OE2 GLU A 341 30.488 31.836 -12.380 1.00 91.76 O +ATOM 2703 N THR A 342 27.261 34.708 -13.381 1.00 88.75 N +ATOM 2704 CA THR A 342 25.959 34.127 -13.647 1.00 85.73 C +ATOM 2705 C THR A 342 25.361 33.508 -12.405 1.00 83.56 C +ATOM 2706 O THR A 342 24.849 32.398 -12.462 1.00 82.90 O +ATOM 2707 CB THR A 342 26.054 33.075 -14.756 1.00 85.59 C +ATOM 2708 OG1 THR A 342 24.733 32.751 -15.205 1.00 84.59 O +ATOM 2709 CG2 THR A 342 26.773 31.818 -14.253 1.00 84.86 C +ATOM 2710 N SER A 343 25.429 34.223 -11.285 1.00 81.53 N +ATOM 2711 CA SER A 343 24.839 33.761 -10.030 1.00 79.24 C +ATOM 2712 C SER A 343 23.386 34.238 -10.067 1.00 77.10 C +ATOM 2713 O SER A 343 22.671 34.251 -9.054 1.00 76.69 O +ATOM 2714 CB SER A 343 25.590 34.366 -8.837 1.00 80.11 C +ATOM 2715 OG SER A 343 25.673 33.450 -7.759 1.00 82.32 O +ATOM 2716 N GLN A 344 22.995 34.628 -11.283 1.00 74.72 N +ATOM 2717 CA GLN A 344 21.674 35.126 -11.680 1.00 71.81 C +ATOM 2718 C GLN A 344 20.561 34.171 -11.212 1.00 72.24 C +ATOM 2719 O GLN A 344 20.414 33.099 -11.771 1.00 72.29 O +ATOM 2720 CB GLN A 344 21.679 35.317 -13.235 1.00 69.25 C +ATOM 2721 CG GLN A 344 22.243 34.098 -14.123 1.00 64.14 C +ATOM 2722 CD GLN A 344 22.818 34.489 -15.523 1.00 60.15 C +ATOM 2723 OE1 GLN A 344 23.904 35.031 -15.620 1.00 58.82 O +ATOM 2724 NE2 GLN A 344 22.083 34.199 -16.577 1.00 51.41 N +ATOM 2725 N VAL A 345 19.792 34.554 -10.192 1.00 73.19 N +ATOM 2726 CA VAL A 345 18.710 33.707 -9.658 1.00 74.95 C +ATOM 2727 C VAL A 345 17.825 33.182 -10.774 1.00 76.66 C +ATOM 2728 O VAL A 345 17.412 33.949 -11.632 1.00 77.14 O +ATOM 2729 CB VAL A 345 17.825 34.479 -8.643 1.00 74.63 C +ATOM 2730 CG1 VAL A 345 16.766 33.556 -8.052 1.00 74.55 C +ATOM 2731 CG2 VAL A 345 18.698 35.069 -7.534 1.00 75.35 C +ATOM 2732 N ALA A 346 17.514 31.888 -10.754 1.00 79.03 N +ATOM 2733 CA ALA A 346 16.702 31.296 -11.813 1.00 81.76 C +ATOM 2734 C ALA A 346 15.798 30.182 -11.306 1.00 84.51 C +ATOM 2735 O ALA A 346 15.931 29.045 -11.776 1.00 84.65 O +ATOM 2736 CB ALA A 346 17.613 30.754 -12.905 1.00 80.90 C +ATOM 2737 N PRO A 347 14.880 30.470 -10.353 1.00 87.34 N +ATOM 2738 CA PRO A 347 13.990 29.406 -9.855 1.00 89.19 C +ATOM 2739 C PRO A 347 12.822 29.263 -10.812 1.00 90.67 C +ATOM 2740 O PRO A 347 12.970 28.774 -11.939 1.00 90.07 O +ATOM 2741 CB PRO A 347 13.525 29.932 -8.482 1.00 89.10 C +ATOM 2742 CG PRO A 347 14.470 31.080 -8.159 1.00 88.70 C +ATOM 2743 CD PRO A 347 14.749 31.675 -9.518 1.00 88.09 C +ATOM 2744 N ALA A 348 11.664 29.716 -10.347 1.00 92.82 N +ATOM 2745 CA ALA A 348 10.436 29.683 -11.129 1.00 95.17 C +ATOM 2746 C ALA A 348 9.879 31.115 -11.234 1.00 96.36 C +ATOM 2747 O ALA A 348 10.409 32.002 -10.511 1.00 97.35 O +ATOM 2748 CB ALA A 348 9.412 28.746 -10.453 1.00 94.88 C +ATOM 2749 OXT ALA A 348 8.926 31.344 -12.029 1.00 97.15 O +TER 2750 ALA A 348 +HETATM 2751 C ACE B 0 44.730 -8.996 -33.269 1.00 48.90 C +HETATM 2752 O ACE B 0 45.505 -9.527 -32.467 1.00 48.47 O +HETATM 2753 CH3 ACE B 0 43.647 -9.830 -33.937 1.00 48.43 C +ATOM 2754 N MET B 1 44.765 -7.685 -33.605 1.00 49.05 N +ATOM 2755 CA MET B 1 45.712 -6.713 -33.052 1.00 49.12 C +ATOM 2756 C MET B 1 45.459 -6.536 -31.566 1.00 49.55 C +ATOM 2757 O MET B 1 44.313 -6.384 -31.155 1.00 50.13 O +ATOM 2758 CB MET B 1 45.546 -5.379 -33.774 1.00 49.04 C +ATOM 2759 CG MET B 1 45.831 -5.455 -35.273 1.00 49.35 C +ATOM 2760 SD MET B 1 47.511 -6.037 -35.632 1.00 51.45 S +ATOM 2761 CE MET B 1 48.501 -4.605 -35.222 1.00 49.95 C +ATOM 2762 N ASN B 2 46.518 -6.540 -30.763 1.00 49.64 N +ATOM 2763 CA ASN B 2 46.351 -6.416 -29.319 1.00 49.16 C +ATOM 2764 C ASN B 2 45.939 -5.027 -28.889 1.00 48.13 C +ATOM 2765 O ASN B 2 45.072 -4.911 -28.036 1.00 48.67 O +ATOM 2766 CB ASN B 2 47.615 -6.856 -28.604 1.00 50.31 C +ATOM 2767 CG ASN B 2 47.876 -8.311 -28.797 1.00 52.88 C +ATOM 2768 OD1 ASN B 2 47.003 -9.136 -28.565 1.00 53.15 O +ATOM 2769 ND2 ASN B 2 49.080 -8.633 -29.242 1.00 55.62 N +ATOM 2770 N GLY B 3 46.545 -3.985 -29.442 1.00 46.07 N +ATOM 2771 CA GLY B 3 46.143 -2.649 -29.052 1.00 43.80 C +ATOM 2772 C GLY B 3 45.369 -2.044 -30.200 1.00 43.01 C +ATOM 2773 O GLY B 3 45.068 -2.736 -31.161 1.00 42.84 O +ATOM 2774 N THR B 4 45.034 -0.763 -30.101 1.00 41.93 N +ATOM 2775 CA THR B 4 44.330 -0.069 -31.174 1.00 40.62 C +ATOM 2776 C THR B 4 45.116 1.187 -31.482 1.00 41.34 C +ATOM 2777 O THR B 4 45.115 2.112 -30.704 1.00 42.60 O +ATOM 2778 CB THR B 4 42.887 0.322 -30.775 1.00 39.34 C +ATOM 2779 OG1 THR B 4 42.145 -0.845 -30.412 1.00 39.23 O +ATOM 2780 CG2 THR B 4 42.179 0.982 -31.932 1.00 38.47 C +ATOM 2781 N GLU B 5 45.800 1.218 -32.609 1.00 42.39 N +ATOM 2782 CA GLU B 5 46.589 2.384 -32.970 1.00 43.77 C +ATOM 2783 C GLU B 5 45.788 3.381 -33.791 1.00 43.93 C +ATOM 2784 O GLU B 5 44.992 3.009 -34.623 1.00 44.57 O +ATOM 2785 CB GLU B 5 47.825 1.935 -33.749 1.00 45.01 C +ATOM 2786 CG GLU B 5 48.441 2.996 -34.633 1.00 46.99 C +ATOM 2787 CD GLU B 5 49.674 2.487 -35.357 1.00 48.71 C +ATOM 2788 OE1 GLU B 5 49.723 1.264 -35.658 1.00 49.94 O +ATOM 2789 OE2 GLU B 5 50.578 3.314 -35.635 1.00 49.61 O +ATOM 2790 N GLY B 6 46.001 4.657 -33.526 1.00 44.76 N +ATOM 2791 CA GLY B 6 45.329 5.699 -34.272 1.00 44.97 C +ATOM 2792 C GLY B 6 46.483 6.460 -34.871 1.00 45.56 C +ATOM 2793 O GLY B 6 47.630 6.129 -34.609 1.00 45.89 O +ATOM 2794 N PRO B 7 46.234 7.477 -35.686 1.00 46.27 N +ATOM 2795 CA PRO B 7 47.377 8.208 -36.259 1.00 47.46 C +ATOM 2796 C PRO B 7 47.968 9.120 -35.213 1.00 48.41 C +ATOM 2797 O PRO B 7 49.061 9.684 -35.371 1.00 49.15 O +ATOM 2798 CB PRO B 7 46.732 9.003 -37.387 1.00 47.57 C +ATOM 2799 CG PRO B 7 45.359 9.316 -36.811 1.00 47.56 C +ATOM 2800 CD PRO B 7 44.950 7.991 -36.193 1.00 47.05 C +ATOM 2801 N ASN B 8 47.234 9.202 -34.116 1.00 48.78 N +ATOM 2802 CA ASN B 8 47.531 10.092 -33.024 1.00 48.01 C +ATOM 2803 C ASN B 8 47.774 9.399 -31.690 1.00 48.03 C +ATOM 2804 O ASN B 8 48.218 10.070 -30.749 1.00 48.54 O +ATOM 2805 CB ASN B 8 46.319 10.981 -32.870 1.00 48.23 C +ATOM 2806 CG ASN B 8 46.692 12.350 -32.579 1.00 50.78 C +ATOM 2807 OD1 ASN B 8 45.848 13.197 -32.284 1.00 52.60 O +ATOM 2808 ND2 ASN B 8 47.995 12.613 -32.664 1.00 53.52 N +ATOM 2809 N PHE B 9 47.496 8.097 -31.587 1.00 46.66 N +ATOM 2810 CA PHE B 9 47.592 7.407 -30.298 1.00 45.16 C +ATOM 2811 C PHE B 9 47.815 5.921 -30.442 1.00 44.61 C +ATOM 2812 O PHE B 9 48.139 5.424 -31.516 1.00 45.82 O +ATOM 2813 CB PHE B 9 46.269 7.595 -29.544 1.00 44.66 C +ATOM 2814 CG PHE B 9 45.049 7.307 -30.395 1.00 43.88 C +ATOM 2815 CD1 PHE B 9 44.483 8.304 -31.191 1.00 43.58 C +ATOM 2816 CD2 PHE B 9 44.523 6.019 -30.473 1.00 43.73 C +ATOM 2817 CE1 PHE B 9 43.427 8.023 -32.049 1.00 42.27 C +ATOM 2818 CE2 PHE B 9 43.461 5.726 -31.334 1.00 42.24 C +ATOM 2819 CZ PHE B 9 42.916 6.734 -32.124 1.00 42.60 C +ATOM 2820 N TYR B 10 47.628 5.225 -29.323 1.00 42.90 N +ATOM 2821 CA TYR B 10 47.722 3.780 -29.251 1.00 40.77 C +ATOM 2822 C TYR B 10 47.003 3.349 -27.979 1.00 40.14 C +ATOM 2823 O TYR B 10 47.563 3.431 -26.900 1.00 39.21 O +ATOM 2824 CB TYR B 10 49.185 3.308 -29.237 1.00 40.35 C +ATOM 2825 CG TYR B 10 49.331 1.791 -29.282 1.00 40.50 C +ATOM 2826 CD1 TYR B 10 49.329 1.101 -30.487 1.00 40.10 C +ATOM 2827 CD2 TYR B 10 49.408 1.045 -28.109 1.00 39.85 C +ATOM 2828 CE1 TYR B 10 49.395 -0.307 -30.517 1.00 40.37 C +ATOM 2829 CE2 TYR B 10 49.471 -0.350 -28.133 1.00 40.07 C +ATOM 2830 CZ TYR B 10 49.463 -1.027 -29.337 1.00 40.23 C +ATOM 2831 OH TYR B 10 49.512 -2.413 -29.345 1.00 41.12 O +ATOM 2832 N VAL B 11 45.748 2.931 -28.106 1.00 39.61 N +ATOM 2833 CA VAL B 11 44.980 2.475 -26.954 1.00 38.64 C +ATOM 2834 C VAL B 11 45.362 1.013 -26.663 1.00 39.19 C +ATOM 2835 O VAL B 11 45.189 0.159 -27.525 1.00 39.30 O +ATOM 2836 CB VAL B 11 43.434 2.590 -27.216 1.00 37.96 C +ATOM 2837 CG1 VAL B 11 42.649 2.247 -25.955 1.00 36.57 C +ATOM 2838 CG2 VAL B 11 43.082 3.998 -27.653 1.00 36.75 C +ATOM 2839 N PRO B 12 45.909 0.722 -25.458 1.00 39.49 N +ATOM 2840 CA PRO B 12 46.301 -0.640 -25.090 1.00 38.85 C +ATOM 2841 C PRO B 12 45.042 -1.424 -24.825 1.00 38.88 C +ATOM 2842 O PRO B 12 44.899 -2.021 -23.767 1.00 37.90 O +ATOM 2843 CB PRO B 12 47.120 -0.426 -23.831 1.00 38.40 C +ATOM 2844 CG PRO B 12 46.359 0.663 -23.162 1.00 39.06 C +ATOM 2845 CD PRO B 12 46.094 1.629 -24.309 1.00 38.83 C +ATOM 2846 N PHE B 13 44.130 -1.385 -25.797 1.00 39.62 N +ATOM 2847 CA PHE B 13 42.852 -2.084 -25.739 1.00 40.01 C +ATOM 2848 C PHE B 13 42.453 -2.512 -27.159 1.00 41.25 C +ATOM 2849 O PHE B 13 42.614 -1.733 -28.095 1.00 41.71 O +ATOM 2850 CB PHE B 13 41.787 -1.165 -25.153 1.00 39.08 C +ATOM 2851 CG PHE B 13 40.599 -1.896 -24.639 1.00 38.35 C +ATOM 2852 CD1 PHE B 13 40.638 -2.513 -23.395 1.00 37.86 C +ATOM 2853 CD2 PHE B 13 39.448 -2.001 -25.408 1.00 38.68 C +ATOM 2854 CE1 PHE B 13 39.546 -3.226 -22.921 1.00 37.53 C +ATOM 2855 CE2 PHE B 13 38.349 -2.711 -24.945 1.00 38.65 C +ATOM 2856 CZ PHE B 13 38.399 -3.325 -23.695 1.00 37.89 C +ATOM 2857 N SER B 14 41.937 -3.732 -27.318 1.00 42.40 N +ATOM 2858 CA SER B 14 41.551 -4.239 -28.637 1.00 43.39 C +ATOM 2859 C SER B 14 40.238 -3.677 -29.083 1.00 44.66 C +ATOM 2860 O SER B 14 39.319 -3.513 -28.271 1.00 45.13 O +ATOM 2861 CB SER B 14 41.440 -5.755 -28.623 1.00 43.36 C +ATOM 2862 OG SER B 14 40.789 -6.211 -29.791 1.00 45.23 O +ATOM 2863 N ASN B 15 40.134 -3.397 -30.378 1.00 45.81 N +ATOM 2864 CA ASN B 15 38.901 -2.862 -30.902 1.00 47.21 C +ATOM 2865 C ASN B 15 38.100 -3.949 -31.551 1.00 47.99 C +ATOM 2866 O ASN B 15 37.330 -3.679 -32.483 1.00 48.39 O +ATOM 2867 CB ASN B 15 39.156 -1.744 -31.899 1.00 47.39 C +ATOM 2868 CG ASN B 15 37.972 -0.808 -32.004 1.00 48.61 C +ATOM 2869 OD1 ASN B 15 37.195 -0.682 -31.063 1.00 47.72 O +ATOM 2870 ND2 ASN B 15 37.818 -0.129 -33.126 1.00 50.07 N +ATOM 2871 N LYS B 16 38.273 -5.176 -31.057 1.00 48.58 N +ATOM 2872 CA LYS B 16 37.541 -6.331 -31.572 1.00 49.31 C +ATOM 2873 C LYS B 16 36.061 -6.057 -31.447 1.00 48.29 C +ATOM 2874 O LYS B 16 35.282 -6.370 -32.359 1.00 48.62 O +ATOM 2875 CB LYS B 16 37.886 -7.602 -30.773 1.00 52.09 C +ATOM 2876 CG LYS B 16 37.163 -8.852 -31.303 1.00 56.52 C +ATOM 2877 CD LYS B 16 37.707 -10.170 -30.744 1.00 59.62 C +ATOM 2878 CE LYS B 16 37.041 -11.376 -31.447 1.00 60.90 C +ATOM 2879 NZ LYS B 16 37.572 -12.709 -30.998 1.00 62.11 N +ATOM 2880 N THR B 17 35.684 -5.461 -30.318 1.00 47.47 N +ATOM 2881 CA THR B 17 34.295 -5.135 -30.025 1.00 46.13 C +ATOM 2882 C THR B 17 33.904 -3.772 -30.580 1.00 46.17 C +ATOM 2883 O THR B 17 32.765 -3.383 -30.414 1.00 46.15 O +ATOM 2884 CB THR B 17 34.058 -5.160 -28.500 1.00 45.84 C +ATOM 2885 OG1 THR B 17 34.778 -4.091 -27.881 1.00 46.53 O +ATOM 2886 CG2 THR B 17 34.589 -6.455 -27.913 1.00 44.55 C +ATOM 2887 N GLY B 18 34.832 -3.061 -31.227 1.00 46.65 N +ATOM 2888 CA GLY B 18 34.538 -1.742 -31.787 1.00 47.08 C +ATOM 2889 C GLY B 18 34.239 -0.624 -30.783 1.00 47.25 C +ATOM 2890 O GLY B 18 33.796 0.467 -31.146 1.00 47.18 O +ATOM 2891 N VAL B 19 34.534 -0.886 -29.518 1.00 47.62 N +ATOM 2892 CA VAL B 19 34.265 0.047 -28.435 1.00 47.26 C +ATOM 2893 C VAL B 19 35.420 1.062 -28.185 1.00 47.15 C +ATOM 2894 O VAL B 19 35.251 1.986 -27.390 1.00 48.28 O +ATOM 2895 CB VAL B 19 33.946 -0.774 -27.143 1.00 47.32 C +ATOM 2896 CG1 VAL B 19 35.242 -1.232 -26.453 1.00 47.41 C +ATOM 2897 CG2 VAL B 19 33.070 0.022 -26.227 1.00 48.04 C +ATOM 2898 N VAL B 20 36.558 0.915 -28.848 1.00 46.33 N +ATOM 2899 CA VAL B 20 37.665 1.835 -28.618 1.00 46.16 C +ATOM 2900 C VAL B 20 37.430 3.148 -29.351 1.00 47.56 C +ATOM 2901 O VAL B 20 36.876 3.135 -30.450 1.00 49.46 O +ATOM 2902 CB VAL B 20 39.007 1.205 -29.084 1.00 44.89 C +ATOM 2903 CG1 VAL B 20 40.168 2.149 -28.822 1.00 44.44 C +ATOM 2904 CG2 VAL B 20 39.235 -0.095 -28.353 1.00 44.89 C +ATOM 2905 N ARG B 21 37.832 4.272 -28.747 1.00 47.61 N +ATOM 2906 CA ARG B 21 37.682 5.593 -29.369 1.00 47.90 C +ATOM 2907 C ARG B 21 38.786 6.529 -28.928 1.00 46.54 C +ATOM 2908 O ARG B 21 39.209 6.456 -27.796 1.00 47.04 O +ATOM 2909 CB ARG B 21 36.301 6.148 -29.062 1.00 50.65 C +ATOM 2910 CG ARG B 21 35.247 5.331 -29.803 1.00 55.89 C +ATOM 2911 CD ARG B 21 33.868 5.829 -29.576 1.00 61.47 C +ATOM 2912 NE ARG B 21 33.655 7.124 -30.219 1.00 66.90 N +ATOM 2913 CZ ARG B 21 32.672 7.965 -29.885 1.00 69.36 C +ATOM 2914 NH1 ARG B 21 31.819 7.642 -28.910 1.00 70.35 N +ATOM 2915 NH2 ARG B 21 32.525 9.126 -30.524 1.00 70.87 N +ATOM 2916 N SER B 22 39.247 7.401 -29.822 1.00 45.33 N +ATOM 2917 CA SER B 22 40.367 8.330 -29.565 1.00 44.76 C +ATOM 2918 C SER B 22 40.396 8.912 -28.156 1.00 44.56 C +ATOM 2919 O SER B 22 39.376 9.418 -27.683 1.00 45.34 O +ATOM 2920 CB SER B 22 40.347 9.482 -30.576 1.00 44.39 C +ATOM 2921 OG SER B 22 41.476 10.327 -30.428 1.00 45.32 O +ATOM 2922 N PRO B 23 41.561 8.859 -27.466 1.00 43.81 N +ATOM 2923 CA PRO B 23 41.617 9.424 -26.107 1.00 42.69 C +ATOM 2924 C PRO B 23 41.545 10.940 -26.210 1.00 42.80 C +ATOM 2925 O PRO B 23 41.570 11.652 -25.196 1.00 43.58 O +ATOM 2926 CB PRO B 23 42.954 8.921 -25.572 1.00 41.96 C +ATOM 2927 CG PRO B 23 43.785 8.827 -26.811 1.00 42.07 C +ATOM 2928 CD PRO B 23 42.846 8.233 -27.831 1.00 42.30 C +ATOM 2929 N PHE B 24 41.442 11.418 -27.449 1.00 42.16 N +ATOM 2930 CA PHE B 24 41.347 12.836 -27.752 1.00 41.50 C +ATOM 2931 C PHE B 24 39.917 13.220 -28.079 1.00 41.99 C +ATOM 2932 O PHE B 24 39.629 14.392 -28.202 1.00 42.69 O +ATOM 2933 CB PHE B 24 42.232 13.181 -28.952 1.00 40.68 C +ATOM 2934 CG PHE B 24 43.700 13.109 -28.666 1.00 41.17 C +ATOM 2935 CD1 PHE B 24 44.243 13.790 -27.571 1.00 40.93 C +ATOM 2936 CD2 PHE B 24 44.545 12.342 -29.467 1.00 41.77 C +ATOM 2937 CE1 PHE B 24 45.611 13.705 -27.272 1.00 40.55 C +ATOM 2938 CE2 PHE B 24 45.921 12.249 -29.177 1.00 41.74 C +ATOM 2939 CZ PHE B 24 46.450 12.934 -28.074 1.00 40.75 C +ATOM 2940 N GLU B 25 39.016 12.257 -28.195 1.00 42.22 N +ATOM 2941 CA GLU B 25 37.653 12.593 -28.576 1.00 43.24 C +ATOM 2942 C GLU B 25 36.594 12.042 -27.667 1.00 42.62 C +ATOM 2943 O GLU B 25 35.450 12.418 -27.821 1.00 43.23 O +ATOM 2944 CB GLU B 25 37.387 12.086 -29.998 1.00 45.27 C +ATOM 2945 CG GLU B 25 38.188 12.797 -31.089 1.00 49.65 C +ATOM 2946 CD GLU B 25 38.182 12.072 -32.449 1.00 52.01 C +ATOM 2947 OE1 GLU B 25 37.091 11.829 -33.031 1.00 52.36 O +ATOM 2948 OE2 GLU B 25 39.296 11.756 -32.944 1.00 53.31 O +ATOM 2949 N ALA B 26 36.919 11.162 -26.739 1.00 41.69 N +ATOM 2950 CA ALA B 26 35.850 10.640 -25.911 1.00 41.37 C +ATOM 2951 C ALA B 26 36.392 9.820 -24.767 1.00 41.61 C +ATOM 2952 O ALA B 26 37.473 9.250 -24.874 1.00 42.31 O +ATOM 2953 CB ALA B 26 34.919 9.804 -26.770 1.00 39.56 C +ATOM 2954 N PRO B 27 35.642 9.744 -23.653 1.00 41.38 N +ATOM 2955 CA PRO B 27 36.005 8.996 -22.443 1.00 41.23 C +ATOM 2956 C PRO B 27 36.517 7.582 -22.697 1.00 40.85 C +ATOM 2957 O PRO B 27 36.071 6.925 -23.639 1.00 40.77 O +ATOM 2958 CB PRO B 27 34.711 9.014 -21.636 1.00 40.89 C +ATOM 2959 CG PRO B 27 34.145 10.309 -21.987 1.00 41.59 C +ATOM 2960 CD PRO B 27 34.337 10.396 -23.478 1.00 41.35 C +ATOM 2961 N GLN B 28 37.429 7.123 -21.841 1.00 40.17 N +ATOM 2962 CA GLN B 28 38.027 5.797 -21.960 1.00 40.21 C +ATOM 2963 C GLN B 28 37.519 4.909 -20.863 1.00 41.04 C +ATOM 2964 O GLN B 28 38.254 4.034 -20.393 1.00 40.68 O +ATOM 2965 CB GLN B 28 39.535 5.922 -21.845 1.00 39.59 C +ATOM 2966 CG GLN B 28 40.088 6.914 -22.815 1.00 39.46 C +ATOM 2967 CD GLN B 28 39.907 6.453 -24.238 1.00 40.14 C +ATOM 2968 OE1 GLN B 28 40.504 5.464 -24.653 1.00 40.90 O +ATOM 2969 NE2 GLN B 28 39.074 7.158 -24.994 1.00 40.38 N +ATOM 2970 N TYR B 29 36.268 5.127 -20.471 1.00 41.90 N +ATOM 2971 CA TYR B 29 35.651 4.376 -19.384 1.00 42.94 C +ATOM 2972 C TYR B 29 35.536 2.921 -19.710 1.00 42.99 C +ATOM 2973 O TYR B 29 35.347 2.115 -18.811 1.00 43.67 O +ATOM 2974 CB TYR B 29 34.284 4.983 -19.030 1.00 43.59 C +ATOM 2975 CG TYR B 29 34.412 6.394 -18.471 1.00 44.98 C +ATOM 2976 CD1 TYR B 29 35.405 6.700 -17.534 1.00 46.71 C +ATOM 2977 CD2 TYR B 29 33.578 7.430 -18.891 1.00 45.23 C +ATOM 2978 CE1 TYR B 29 35.572 8.012 -17.028 1.00 47.56 C +ATOM 2979 CE2 TYR B 29 33.738 8.750 -18.388 1.00 46.21 C +ATOM 2980 CZ TYR B 29 34.740 9.028 -17.459 1.00 46.96 C +ATOM 2981 OH TYR B 29 34.944 10.309 -16.970 1.00 48.27 O +ATOM 2982 N TYR B 30 35.669 2.577 -20.982 1.00 42.61 N +ATOM 2983 CA TYR B 30 35.598 1.184 -21.394 1.00 42.30 C +ATOM 2984 C TYR B 30 36.966 0.520 -21.186 1.00 42.97 C +ATOM 2985 O TYR B 30 37.133 -0.635 -21.532 1.00 43.25 O +ATOM 2986 CB TYR B 30 35.181 1.119 -22.860 1.00 41.22 C +ATOM 2987 CG TYR B 30 36.173 1.788 -23.767 1.00 39.66 C +ATOM 2988 CD1 TYR B 30 37.324 1.125 -24.160 1.00 39.92 C +ATOM 2989 CD2 TYR B 30 36.011 3.115 -24.150 1.00 39.34 C +ATOM 2990 CE1 TYR B 30 38.282 1.755 -24.893 1.00 39.75 C +ATOM 2991 CE2 TYR B 30 36.971 3.758 -24.889 1.00 38.31 C +ATOM 2992 CZ TYR B 30 38.103 3.070 -25.249 1.00 39.90 C +ATOM 2993 OH TYR B 30 39.102 3.687 -25.943 1.00 42.94 O +ATOM 2994 N LEU B 31 37.927 1.262 -20.635 1.00 43.60 N +ATOM 2995 CA LEU B 31 39.275 0.763 -20.348 1.00 43.43 C +ATOM 2996 C LEU B 31 39.352 0.402 -18.897 1.00 43.94 C +ATOM 2997 O LEU B 31 40.087 -0.496 -18.503 1.00 43.85 O +ATOM 2998 CB LEU B 31 40.314 1.851 -20.564 1.00 42.47 C +ATOM 2999 CG LEU B 31 40.696 2.241 -21.965 1.00 41.56 C +ATOM 3000 CD1 LEU B 31 41.856 3.182 -21.872 1.00 42.78 C +ATOM 3001 CD2 LEU B 31 41.081 1.009 -22.745 1.00 43.53 C +ATOM 3002 N ALA B 32 38.612 1.154 -18.097 1.00 45.41 N +ATOM 3003 CA ALA B 32 38.586 0.965 -16.665 1.00 47.41 C +ATOM 3004 C ALA B 32 37.346 1.629 -16.116 1.00 49.15 C +ATOM 3005 O ALA B 32 36.728 2.477 -16.780 1.00 49.67 O +ATOM 3006 CB ALA B 32 39.837 1.586 -16.034 1.00 47.59 C +ATOM 3007 N GLU B 33 36.994 1.254 -14.895 1.00 50.75 N +ATOM 3008 CA GLU B 33 35.819 1.780 -14.216 1.00 51.75 C +ATOM 3009 C GLU B 33 35.900 3.285 -14.049 1.00 51.01 C +ATOM 3010 O GLU B 33 36.960 3.819 -13.787 1.00 51.25 O +ATOM 3011 CB GLU B 33 35.704 1.149 -12.829 1.00 54.97 C +ATOM 3012 CG GLU B 33 35.954 -0.352 -12.786 1.00 60.12 C +ATOM 3013 CD GLU B 33 35.006 -1.129 -13.684 1.00 62.67 C +ATOM 3014 OE1 GLU B 33 33.775 -1.002 -13.494 1.00 64.69 O +ATOM 3015 OE2 GLU B 33 35.495 -1.865 -14.577 1.00 64.44 O +ATOM 3016 N PRO B 34 34.768 3.984 -14.195 1.00 50.18 N +ATOM 3017 CA PRO B 34 34.717 5.434 -14.043 1.00 49.27 C +ATOM 3018 C PRO B 34 35.178 5.904 -12.664 1.00 49.18 C +ATOM 3019 O PRO B 34 35.717 7.009 -12.526 1.00 50.19 O +ATOM 3020 CB PRO B 34 33.246 5.735 -14.297 1.00 48.50 C +ATOM 3021 CG PRO B 34 32.915 4.767 -15.370 1.00 47.82 C +ATOM 3022 CD PRO B 34 33.540 3.496 -14.846 1.00 49.74 C +ATOM 3023 N TRP B 35 34.970 5.083 -11.643 1.00 48.13 N +ATOM 3024 CA TRP B 35 35.372 5.486 -10.307 1.00 47.13 C +ATOM 3025 C TRP B 35 36.863 5.496 -10.227 1.00 46.28 C +ATOM 3026 O TRP B 35 37.435 6.212 -9.416 1.00 45.90 O +ATOM 3027 CB TRP B 35 34.806 4.536 -9.262 1.00 46.77 C +ATOM 3028 CG TRP B 35 35.382 3.189 -9.311 1.00 47.56 C +ATOM 3029 CD1 TRP B 35 34.865 2.098 -9.941 1.00 47.07 C +ATOM 3030 CD2 TRP B 35 36.604 2.764 -8.702 1.00 48.37 C +ATOM 3031 NE1 TRP B 35 35.690 1.010 -9.763 1.00 47.22 N +ATOM 3032 CE2 TRP B 35 36.766 1.392 -9.005 1.00 48.31 C +ATOM 3033 CE3 TRP B 35 37.581 3.408 -7.930 1.00 49.80 C +ATOM 3034 CZ2 TRP B 35 37.867 0.654 -8.562 1.00 48.78 C +ATOM 3035 CZ3 TRP B 35 38.681 2.671 -7.488 1.00 50.30 C +ATOM 3036 CH2 TRP B 35 38.812 1.310 -7.808 1.00 49.50 C +ATOM 3037 N GLN B 36 37.488 4.698 -11.079 1.00 45.73 N +ATOM 3038 CA GLN B 36 38.938 4.606 -11.111 1.00 46.18 C +ATOM 3039 C GLN B 36 39.529 5.865 -11.693 1.00 45.94 C +ATOM 3040 O GLN B 36 40.677 6.173 -11.425 1.00 45.07 O +ATOM 3041 CB GLN B 36 39.371 3.396 -11.932 1.00 46.68 C +ATOM 3042 CG GLN B 36 38.973 2.086 -11.314 1.00 48.54 C +ATOM 3043 CD GLN B 36 39.405 0.922 -12.148 1.00 49.84 C +ATOM 3044 OE1 GLN B 36 38.914 0.725 -13.258 1.00 50.56 O +ATOM 3045 NE2 GLN B 36 40.345 0.138 -11.626 1.00 51.26 N +ATOM 3046 N PHE B 37 38.764 6.587 -12.505 1.00 46.09 N +ATOM 3047 CA PHE B 37 39.277 7.832 -13.057 1.00 45.29 C +ATOM 3048 C PHE B 37 39.115 8.899 -12.009 1.00 45.18 C +ATOM 3049 O PHE B 37 39.932 9.821 -11.943 1.00 45.65 O +ATOM 3050 CB PHE B 37 38.531 8.228 -14.329 1.00 45.53 C +ATOM 3051 CG PHE B 37 38.842 7.354 -15.497 1.00 44.33 C +ATOM 3052 CD1 PHE B 37 38.246 6.113 -15.629 1.00 45.71 C +ATOM 3053 CD2 PHE B 37 39.747 7.766 -16.455 1.00 43.91 C +ATOM 3054 CE1 PHE B 37 38.548 5.296 -16.704 1.00 46.30 C +ATOM 3055 CE2 PHE B 37 40.058 6.967 -17.530 1.00 44.31 C +ATOM 3056 CZ PHE B 37 39.462 5.732 -17.662 1.00 45.43 C +ATOM 3057 N SER B 38 38.065 8.774 -11.195 1.00 44.72 N +ATOM 3058 CA SER B 38 37.825 9.731 -10.124 1.00 44.20 C +ATOM 3059 C SER B 38 38.928 9.529 -9.108 1.00 43.71 C +ATOM 3060 O SER B 38 39.354 10.457 -8.428 1.00 42.68 O +ATOM 3061 CB SER B 38 36.439 9.500 -9.507 1.00 44.58 C +ATOM 3062 OG SER B 38 35.529 10.487 -9.969 1.00 44.50 O +ATOM 3063 N MET B 39 39.409 8.299 -9.043 1.00 43.23 N +ATOM 3064 CA MET B 39 40.486 7.946 -8.149 1.00 42.90 C +ATOM 3065 C MET B 39 41.765 8.683 -8.587 1.00 42.74 C +ATOM 3066 O MET B 39 42.388 9.371 -7.766 1.00 43.15 O +ATOM 3067 CB MET B 39 40.690 6.444 -8.226 1.00 45.14 C +ATOM 3068 CG MET B 39 41.014 5.814 -6.925 1.00 48.64 C +ATOM 3069 SD MET B 39 39.751 6.262 -5.751 1.00 53.86 S +ATOM 3070 CE MET B 39 40.574 7.645 -4.838 1.00 51.94 C +ATOM 3071 N LEU B 40 42.146 8.541 -9.867 1.00 41.59 N +ATOM 3072 CA LEU B 40 43.350 9.177 -10.445 1.00 39.36 C +ATOM 3073 C LEU B 40 43.265 10.667 -10.282 1.00 39.34 C +ATOM 3074 O LEU B 40 44.268 11.314 -9.974 1.00 38.65 O +ATOM 3075 CB LEU B 40 43.488 8.850 -11.937 1.00 37.38 C +ATOM 3076 CG LEU B 40 43.889 7.431 -12.345 1.00 36.34 C +ATOM 3077 CD1 LEU B 40 43.981 7.341 -13.848 1.00 36.54 C +ATOM 3078 CD2 LEU B 40 45.212 7.061 -11.733 1.00 35.06 C +ATOM 3079 N ALA B 41 42.064 11.195 -10.498 1.00 39.36 N +ATOM 3080 CA ALA B 41 41.783 12.617 -10.367 1.00 40.25 C +ATOM 3081 C ALA B 41 42.011 13.088 -8.902 1.00 41.35 C +ATOM 3082 O ALA B 41 42.570 14.180 -8.696 1.00 41.99 O +ATOM 3083 CB ALA B 41 40.336 12.888 -10.814 1.00 39.21 C +ATOM 3084 N ALA B 42 41.587 12.294 -7.908 1.00 41.08 N +ATOM 3085 CA ALA B 42 41.764 12.651 -6.496 1.00 40.37 C +ATOM 3086 C ALA B 42 43.238 12.744 -6.187 1.00 40.64 C +ATOM 3087 O ALA B 42 43.673 13.675 -5.526 1.00 40.61 O +ATOM 3088 CB ALA B 42 41.125 11.605 -5.601 1.00 39.91 C +ATOM 3089 N TYR B 43 43.994 11.766 -6.672 1.00 40.15 N +ATOM 3090 CA TYR B 43 45.432 11.677 -6.473 1.00 38.96 C +ATOM 3091 C TYR B 43 46.157 12.917 -6.989 1.00 39.07 C +ATOM 3092 O TYR B 43 47.014 13.462 -6.291 1.00 38.59 O +ATOM 3093 CB TYR B 43 45.921 10.445 -7.205 1.00 39.06 C +ATOM 3094 CG TYR B 43 47.406 10.294 -7.288 1.00 38.36 C +ATOM 3095 CD1 TYR B 43 48.155 9.981 -6.164 1.00 38.81 C +ATOM 3096 CD2 TYR B 43 48.056 10.379 -8.513 1.00 38.71 C +ATOM 3097 CE1 TYR B 43 49.516 9.740 -6.261 1.00 39.17 C +ATOM 3098 CE2 TYR B 43 49.415 10.142 -8.626 1.00 37.73 C +ATOM 3099 CZ TYR B 43 50.137 9.816 -7.500 1.00 38.73 C +ATOM 3100 OH TYR B 43 51.469 9.516 -7.614 1.00 40.04 O +ATOM 3101 N MET B 44 45.824 13.346 -8.203 1.00 39.05 N +ATOM 3102 CA MET B 44 46.449 14.517 -8.820 1.00 39.67 C +ATOM 3103 C MET B 44 46.070 15.790 -8.094 1.00 40.87 C +ATOM 3104 O MET B 44 46.892 16.715 -7.994 1.00 41.35 O +ATOM 3105 CB MET B 44 46.048 14.634 -10.289 1.00 37.71 C +ATOM 3106 CG MET B 44 46.535 13.491 -11.151 1.00 36.84 C +ATOM 3107 SD MET B 44 48.292 13.245 -10.978 1.00 37.28 S +ATOM 3108 CE MET B 44 48.931 14.860 -11.464 1.00 35.45 C +ATOM 3109 N PHE B 45 44.833 15.858 -7.618 1.00 41.35 N +ATOM 3110 CA PHE B 45 44.388 17.018 -6.880 1.00 42.04 C +ATOM 3111 C PHE B 45 45.276 17.170 -5.655 1.00 42.39 C +ATOM 3112 O PHE B 45 45.757 18.265 -5.365 1.00 42.19 O +ATOM 3113 CB PHE B 45 42.949 16.828 -6.448 1.00 41.96 C +ATOM 3114 CG PHE B 45 42.478 17.870 -5.500 1.00 42.20 C +ATOM 3115 CD1 PHE B 45 42.369 19.195 -5.909 1.00 41.39 C +ATOM 3116 CD2 PHE B 45 42.130 17.531 -4.194 1.00 42.56 C +ATOM 3117 CE1 PHE B 45 41.914 20.178 -5.029 1.00 42.73 C +ATOM 3118 CE2 PHE B 45 41.671 18.504 -3.304 1.00 43.64 C +ATOM 3119 CZ PHE B 45 41.561 19.835 -3.723 1.00 43.10 C +ATOM 3120 N LEU B 46 45.483 16.065 -4.942 1.00 42.91 N +ATOM 3121 CA LEU B 46 46.333 16.057 -3.756 1.00 42.77 C +ATOM 3122 C LEU B 46 47.732 16.488 -4.151 1.00 43.04 C +ATOM 3123 O LEU B 46 48.341 17.321 -3.460 1.00 43.09 O +ATOM 3124 CB LEU B 46 46.390 14.659 -3.133 1.00 41.11 C +ATOM 3125 CG LEU B 46 45.116 14.202 -2.433 1.00 41.45 C +ATOM 3126 CD1 LEU B 46 45.346 12.847 -1.813 1.00 42.19 C +ATOM 3127 CD2 LEU B 46 44.720 15.201 -1.375 1.00 41.16 C +ATOM 3128 N LEU B 47 48.239 15.937 -5.255 1.00 43.23 N +ATOM 3129 CA LEU B 47 49.576 16.277 -5.724 1.00 42.81 C +ATOM 3130 C LEU B 47 49.696 17.774 -5.983 1.00 43.15 C +ATOM 3131 O LEU B 47 50.726 18.367 -5.657 1.00 43.54 O +ATOM 3132 CB LEU B 47 49.918 15.481 -6.985 1.00 42.06 C +ATOM 3133 CG LEU B 47 50.426 14.060 -6.732 1.00 41.99 C +ATOM 3134 CD1 LEU B 47 50.854 13.418 -8.031 1.00 42.68 C +ATOM 3135 CD2 LEU B 47 51.610 14.101 -5.801 1.00 42.60 C +ATOM 3136 N ILE B 48 48.652 18.380 -6.541 1.00 42.93 N +ATOM 3137 CA ILE B 48 48.662 19.802 -6.817 1.00 42.98 C +ATOM 3138 C ILE B 48 48.563 20.610 -5.538 1.00 43.81 C +ATOM 3139 O ILE B 48 49.254 21.611 -5.426 1.00 43.68 O +ATOM 3140 CB ILE B 48 47.507 20.184 -7.746 1.00 42.89 C +ATOM 3141 CG1 ILE B 48 47.731 19.550 -9.113 1.00 42.89 C +ATOM 3142 CG2 ILE B 48 47.407 21.688 -7.879 1.00 42.38 C +ATOM 3143 CD1 ILE B 48 46.575 19.755 -10.039 1.00 43.72 C +ATOM 3144 N MET B 49 47.739 20.186 -4.578 1.00 44.57 N +ATOM 3145 CA MET B 49 47.563 20.941 -3.326 1.00 45.31 C +ATOM 3146 C MET B 49 48.722 20.775 -2.339 1.00 45.70 C +ATOM 3147 O MET B 49 48.780 21.489 -1.326 1.00 45.63 O +ATOM 3148 CB MET B 49 46.235 20.567 -2.652 1.00 46.29 C +ATOM 3149 CG MET B 49 45.005 21.068 -3.396 1.00 46.58 C +ATOM 3150 SD MET B 49 44.994 22.855 -3.716 1.00 48.47 S +ATOM 3151 CE MET B 49 44.149 23.469 -2.284 1.00 46.13 C +ATOM 3152 N LEU B 50 49.632 19.850 -2.609 1.00 46.74 N +ATOM 3153 CA LEU B 50 50.774 19.678 -1.729 1.00 47.55 C +ATOM 3154 C LEU B 50 51.995 20.199 -2.437 1.00 47.95 C +ATOM 3155 O LEU B 50 52.706 21.047 -1.908 1.00 48.47 O +ATOM 3156 CB LEU B 50 50.982 18.210 -1.384 1.00 49.71 C +ATOM 3157 CG LEU B 50 51.615 17.931 -0.008 1.00 52.05 C +ATOM 3158 CD1 LEU B 50 51.983 16.468 0.039 1.00 52.66 C +ATOM 3159 CD2 LEU B 50 52.859 18.796 0.253 1.00 51.95 C +ATOM 3160 N GLY B 51 52.234 19.693 -3.640 1.00 47.64 N +ATOM 3161 CA GLY B 51 53.382 20.124 -4.409 1.00 47.32 C +ATOM 3162 C GLY B 51 53.490 21.622 -4.616 1.00 47.06 C +ATOM 3163 O GLY B 51 54.579 22.148 -4.838 1.00 46.60 O +ATOM 3164 N PHE B 52 52.369 22.324 -4.549 1.00 47.03 N +ATOM 3165 CA PHE B 52 52.417 23.761 -4.741 1.00 48.84 C +ATOM 3166 C PHE B 52 52.917 24.471 -3.481 1.00 49.34 C +ATOM 3167 O PHE B 52 53.964 25.112 -3.525 1.00 50.29 O +ATOM 3168 CB PHE B 52 51.044 24.288 -5.172 1.00 49.77 C +ATOM 3169 CG PHE B 52 50.901 25.767 -5.029 1.00 51.70 C +ATOM 3170 CD1 PHE B 52 51.949 26.618 -5.393 1.00 53.06 C +ATOM 3171 CD2 PHE B 52 49.732 26.318 -4.502 1.00 52.60 C +ATOM 3172 CE1 PHE B 52 51.841 28.003 -5.227 1.00 54.03 C +ATOM 3173 CE2 PHE B 52 49.603 27.696 -4.330 1.00 53.72 C +ATOM 3174 CZ PHE B 52 50.663 28.544 -4.691 1.00 53.80 C +ATOM 3175 N PRO B 53 52.199 24.368 -2.350 1.00 49.21 N +ATOM 3176 CA PRO B 53 52.738 25.072 -1.190 1.00 48.96 C +ATOM 3177 C PRO B 53 54.140 24.670 -0.838 1.00 49.14 C +ATOM 3178 O PRO B 53 54.945 25.519 -0.485 1.00 49.56 O +ATOM 3179 CB PRO B 53 51.743 24.726 -0.084 1.00 48.46 C +ATOM 3180 CG PRO B 53 51.215 23.414 -0.499 1.00 48.91 C +ATOM 3181 CD PRO B 53 51.007 23.594 -1.974 1.00 48.96 C +ATOM 3182 N ILE B 54 54.448 23.391 -0.987 1.00 49.23 N +ATOM 3183 CA ILE B 54 55.757 22.868 -0.613 1.00 50.03 C +ATOM 3184 C ILE B 54 56.928 23.299 -1.510 1.00 50.16 C +ATOM 3185 O ILE B 54 58.026 23.421 -1.006 1.00 49.97 O +ATOM 3186 CB ILE B 54 55.715 21.325 -0.519 1.00 50.28 C +ATOM 3187 CG1 ILE B 54 56.746 20.835 0.493 1.00 50.58 C +ATOM 3188 CG2 ILE B 54 56.020 20.711 -1.864 1.00 51.73 C +ATOM 3189 CD1 ILE B 54 56.795 19.328 0.629 1.00 52.30 C +ATOM 3190 N ASN B 55 56.734 23.505 -2.808 1.00 50.66 N +ATOM 3191 CA ASN B 55 57.854 23.917 -3.659 1.00 50.45 C +ATOM 3192 C ASN B 55 57.903 25.410 -3.699 1.00 51.56 C +ATOM 3193 O ASN B 55 58.945 26.001 -3.959 1.00 51.71 O +ATOM 3194 CB ASN B 55 57.695 23.367 -5.073 1.00 49.04 C +ATOM 3195 CG ASN B 55 58.004 21.889 -5.150 1.00 48.76 C +ATOM 3196 OD1 ASN B 55 59.137 21.468 -4.919 1.00 48.50 O +ATOM 3197 ND2 ASN B 55 56.992 21.086 -5.462 1.00 47.72 N +ATOM 3198 N PHE B 56 56.762 26.029 -3.444 1.00 52.45 N +ATOM 3199 CA PHE B 56 56.714 27.465 -3.435 1.00 53.62 C +ATOM 3200 C PHE B 56 57.389 27.943 -2.195 1.00 54.30 C +ATOM 3201 O PHE B 56 58.214 28.842 -2.251 1.00 55.05 O +ATOM 3202 CB PHE B 56 55.291 27.974 -3.407 1.00 54.17 C +ATOM 3203 CG PHE B 56 55.225 29.445 -3.285 1.00 54.98 C +ATOM 3204 CD1 PHE B 56 55.487 30.249 -4.391 1.00 55.75 C +ATOM 3205 CD2 PHE B 56 55.018 30.041 -2.051 1.00 55.86 C +ATOM 3206 CE1 PHE B 56 55.550 31.631 -4.276 1.00 55.96 C +ATOM 3207 CE2 PHE B 56 55.080 31.427 -1.923 1.00 56.21 C +ATOM 3208 CZ PHE B 56 55.349 32.223 -3.043 1.00 56.34 C +ATOM 3209 N LEU B 57 57.005 27.353 -1.068 1.00 54.17 N +ATOM 3210 CA LEU B 57 57.573 27.714 0.213 1.00 54.23 C +ATOM 3211 C LEU B 57 59.060 27.494 0.178 1.00 54.61 C +ATOM 3212 O LEU B 57 59.787 28.269 0.765 1.00 55.37 O +ATOM 3213 CB LEU B 57 56.931 26.892 1.331 1.00 54.20 C +ATOM 3214 CG LEU B 57 57.273 27.218 2.798 1.00 53.76 C +ATOM 3215 CD1 LEU B 57 58.627 26.647 3.139 1.00 53.33 C +ATOM 3216 CD2 LEU B 57 57.229 28.733 3.052 1.00 53.64 C +ATOM 3217 N THR B 58 59.516 26.446 -0.497 1.00 55.23 N +ATOM 3218 CA THR B 58 60.958 26.171 -0.617 1.00 56.12 C +ATOM 3219 C THR B 58 61.610 27.353 -1.329 1.00 57.16 C +ATOM 3220 O THR B 58 62.557 27.968 -0.835 1.00 57.20 O +ATOM 3221 CB THR B 58 61.228 24.913 -1.485 1.00 55.99 C +ATOM 3222 OG1 THR B 58 60.665 23.758 -0.856 1.00 56.23 O +ATOM 3223 CG2 THR B 58 62.722 24.709 -1.691 1.00 55.24 C +ATOM 3224 N LEU B 59 61.084 27.638 -2.512 1.00 58.55 N +ATOM 3225 CA LEU B 59 61.533 28.727 -3.351 1.00 59.47 C +ATOM 3226 C LEU B 59 61.613 30.034 -2.550 1.00 59.66 C +ATOM 3227 O LEU B 59 62.641 30.707 -2.573 1.00 59.82 O +ATOM 3228 CB LEU B 59 60.545 28.839 -4.512 1.00 60.35 C +ATOM 3229 CG LEU B 59 60.359 30.158 -5.238 1.00 61.23 C +ATOM 3230 CD1 LEU B 59 61.696 30.667 -5.709 1.00 62.22 C +ATOM 3231 CD2 LEU B 59 59.420 29.939 -6.408 1.00 61.11 C +ATOM 3232 N TYR B 60 60.546 30.353 -1.826 1.00 59.48 N +ATOM 3233 CA TYR B 60 60.436 31.573 -1.037 1.00 59.22 C +ATOM 3234 C TYR B 60 61.444 31.677 0.109 1.00 59.77 C +ATOM 3235 O TYR B 60 61.977 32.759 0.352 1.00 60.43 O +ATOM 3236 CB TYR B 60 59.020 31.670 -0.497 1.00 58.72 C +ATOM 3237 CG TYR B 60 58.740 32.916 0.277 1.00 58.58 C +ATOM 3238 CD1 TYR B 60 59.324 33.129 1.521 1.00 59.28 C +ATOM 3239 CD2 TYR B 60 57.869 33.874 -0.220 1.00 58.38 C +ATOM 3240 CE1 TYR B 60 59.045 34.261 2.257 1.00 60.45 C +ATOM 3241 CE2 TYR B 60 57.574 35.012 0.501 1.00 60.11 C +ATOM 3242 CZ TYR B 60 58.164 35.206 1.747 1.00 60.89 C +ATOM 3243 OH TYR B 60 57.856 36.335 2.493 1.00 61.41 O +ATOM 3244 N VAL B 61 61.699 30.594 0.829 1.00 60.06 N +ATOM 3245 CA VAL B 61 62.654 30.643 1.945 1.00 59.96 C +ATOM 3246 C VAL B 61 64.049 30.949 1.441 1.00 60.33 C +ATOM 3247 O VAL B 61 64.681 31.875 1.943 1.00 60.77 O +ATOM 3248 CB VAL B 61 62.680 29.298 2.727 1.00 59.73 C +ATOM 3249 CG1 VAL B 61 63.892 29.227 3.660 1.00 58.73 C +ATOM 3250 CG2 VAL B 61 61.394 29.157 3.527 1.00 59.41 C +ATOM 3251 N THR B 62 64.508 30.170 0.458 1.00 60.33 N +ATOM 3252 CA THR B 62 65.838 30.302 -0.146 1.00 59.91 C +ATOM 3253 C THR B 62 66.100 31.718 -0.529 1.00 60.68 C +ATOM 3254 O THR B 62 67.067 32.316 -0.103 1.00 60.45 O +ATOM 3255 CB THR B 62 65.957 29.482 -1.433 1.00 58.66 C +ATOM 3256 OG1 THR B 62 65.457 28.162 -1.211 1.00 58.09 O +ATOM 3257 CG2 THR B 62 67.406 29.397 -1.866 1.00 58.22 C +ATOM 3258 N VAL B 63 65.231 32.239 -1.372 1.00 61.74 N +ATOM 3259 CA VAL B 63 65.348 33.600 -1.835 1.00 62.92 C +ATOM 3260 C VAL B 63 65.381 34.534 -0.649 1.00 64.14 C +ATOM 3261 O VAL B 63 66.231 35.426 -0.585 1.00 64.38 O +ATOM 3262 CB VAL B 63 64.153 33.950 -2.733 1.00 62.57 C +ATOM 3263 CG1 VAL B 63 64.179 35.415 -3.095 1.00 63.06 C +ATOM 3264 CG2 VAL B 63 64.178 33.090 -3.981 1.00 62.13 C +ATOM 3265 N GLN B 64 64.469 34.323 0.293 1.00 65.45 N +ATOM 3266 CA GLN B 64 64.380 35.176 1.468 1.00 66.51 C +ATOM 3267 C GLN B 64 65.614 35.102 2.359 1.00 66.82 C +ATOM 3268 O GLN B 64 66.056 36.127 2.835 1.00 66.86 O +ATOM 3269 CB GLN B 64 63.144 34.823 2.281 1.00 66.35 C +ATOM 3270 CG GLN B 64 63.193 35.418 3.650 1.00 66.74 C +ATOM 3271 CD GLN B 64 61.920 35.212 4.407 1.00 67.24 C +ATOM 3272 OE1 GLN B 64 60.897 35.797 4.080 1.00 67.98 O +ATOM 3273 NE2 GLN B 64 61.970 34.370 5.430 1.00 67.72 N +ATOM 3274 N HIS B 65 66.175 33.918 2.575 1.00 67.73 N +ATOM 3275 CA HIS B 65 67.339 33.792 3.451 1.00 68.43 C +ATOM 3276 C HIS B 65 68.667 33.847 2.721 1.00 68.78 C +ATOM 3277 O HIS B 65 69.145 32.851 2.183 1.00 68.71 O +ATOM 3278 CB HIS B 65 67.200 32.528 4.295 1.00 68.55 C +ATOM 3279 CG HIS B 65 66.081 32.619 5.279 1.00 68.77 C +ATOM 3280 ND1 HIS B 65 66.216 32.257 6.602 1.00 68.99 N +ATOM 3281 CD2 HIS B 65 64.838 33.142 5.156 1.00 68.73 C +ATOM 3282 CE1 HIS B 65 65.105 32.558 7.251 1.00 68.86 C +ATOM 3283 NE2 HIS B 65 64.255 33.098 6.398 1.00 68.80 N +ATOM 3284 N LYS B 66 69.267 35.035 2.772 1.00 69.27 N +ATOM 3285 CA LYS B 66 70.527 35.397 2.120 1.00 69.62 C +ATOM 3286 C LYS B 66 71.682 34.395 2.254 1.00 68.40 C +ATOM 3287 O LYS B 66 72.562 34.429 1.410 1.00 68.31 O +ATOM 3288 CB LYS B 66 70.957 36.779 2.624 1.00 72.46 C +ATOM 3289 CG LYS B 66 72.234 37.337 2.002 1.00 76.01 C +ATOM 3290 CD LYS B 66 72.667 38.637 2.715 1.00 78.35 C +ATOM 3291 CE LYS B 66 74.106 39.030 2.384 1.00 79.37 C +ATOM 3292 NZ LYS B 66 74.509 40.284 3.080 1.00 81.07 N +ATOM 3293 N LYS B 67 71.712 33.524 3.256 1.00 67.58 N +ATOM 3294 CA LYS B 67 72.842 32.585 3.349 1.00 67.57 C +ATOM 3295 C LYS B 67 72.596 31.339 2.543 1.00 66.77 C +ATOM 3296 O LYS B 67 73.550 30.684 2.133 1.00 67.06 O +ATOM 3297 CB LYS B 67 73.115 32.131 4.782 1.00 69.34 C +ATOM 3298 CG LYS B 67 72.228 30.979 5.234 1.00 71.55 C +ATOM 3299 CD LYS B 67 72.682 30.326 6.543 1.00 73.99 C +ATOM 3300 CE LYS B 67 71.730 29.166 6.895 1.00 75.86 C +ATOM 3301 NZ LYS B 67 72.010 28.458 8.182 1.00 77.10 N +ATOM 3302 N LEU B 68 71.334 30.976 2.354 1.00 65.48 N +ATOM 3303 CA LEU B 68 71.014 29.775 1.593 1.00 63.89 C +ATOM 3304 C LEU B 68 71.421 30.013 0.142 1.00 62.73 C +ATOM 3305 O LEU B 68 70.606 30.376 -0.705 1.00 62.24 O +ATOM 3306 CB LEU B 68 69.518 29.467 1.756 1.00 63.86 C +ATOM 3307 CG LEU B 68 69.159 29.284 3.235 1.00 62.79 C +ATOM 3308 CD1 LEU B 68 67.678 29.421 3.447 1.00 62.47 C +ATOM 3309 CD2 LEU B 68 69.667 27.940 3.711 1.00 62.74 C +ATOM 3310 N ARG B 69 72.703 29.822 -0.132 1.00 61.60 N +ATOM 3311 CA ARG B 69 73.207 30.055 -1.464 1.00 61.02 C +ATOM 3312 C ARG B 69 74.337 29.118 -1.776 1.00 61.70 C +ATOM 3313 O ARG B 69 75.179 29.470 -2.577 1.00 62.92 O +ATOM 3314 CB ARG B 69 73.694 31.493 -1.583 1.00 59.82 C +ATOM 3315 CG ARG B 69 72.647 32.550 -1.268 1.00 58.94 C +ATOM 3316 CD ARG B 69 71.851 32.893 -2.501 1.00 58.29 C +ATOM 3317 NE ARG B 69 70.828 33.912 -2.270 1.00 56.88 N +ATOM 3318 CZ ARG B 69 69.810 33.778 -1.427 1.00 56.05 C +ATOM 3319 NH1 ARG B 69 69.679 32.665 -0.719 1.00 55.84 N +ATOM 3320 NH2 ARG B 69 68.909 34.747 -1.315 1.00 55.60 N +ATOM 3321 N THR B 70 74.386 27.949 -1.142 1.00 61.75 N +ATOM 3322 CA THR B 70 75.441 26.980 -1.449 1.00 62.09 C +ATOM 3323 C THR B 70 75.014 26.232 -2.716 1.00 62.45 C +ATOM 3324 O THR B 70 73.895 26.444 -3.184 1.00 62.01 O +ATOM 3325 CB THR B 70 75.651 25.978 -0.285 1.00 62.33 C +ATOM 3326 OG1 THR B 70 74.535 25.078 -0.192 1.00 64.30 O +ATOM 3327 CG2 THR B 70 75.786 26.730 1.022 1.00 62.57 C +ATOM 3328 N PRO B 71 75.880 25.368 -3.295 1.00 63.32 N +ATOM 3329 CA PRO B 71 75.413 24.686 -4.508 1.00 63.49 C +ATOM 3330 C PRO B 71 74.108 23.980 -4.248 1.00 63.24 C +ATOM 3331 O PRO B 71 73.126 24.226 -4.948 1.00 63.18 O +ATOM 3332 CB PRO B 71 76.556 23.720 -4.828 1.00 63.73 C +ATOM 3333 CG PRO B 71 77.758 24.452 -4.327 1.00 64.25 C +ATOM 3334 CD PRO B 71 77.262 24.959 -2.978 1.00 63.91 C +ATOM 3335 N LEU B 72 74.096 23.127 -3.230 1.00 62.97 N +ATOM 3336 CA LEU B 72 72.897 22.389 -2.876 1.00 62.65 C +ATOM 3337 C LEU B 72 71.726 23.338 -2.834 1.00 62.49 C +ATOM 3338 O LEU B 72 70.698 23.030 -3.417 1.00 62.33 O +ATOM 3339 CB LEU B 72 73.072 21.709 -1.518 1.00 62.35 C +ATOM 3340 CG LEU B 72 71.959 20.767 -1.068 1.00 62.41 C +ATOM 3341 CD1 LEU B 72 71.819 19.631 -2.075 1.00 62.74 C +ATOM 3342 CD2 LEU B 72 72.287 20.231 0.321 1.00 61.89 C +ATOM 3343 N ASN B 73 71.877 24.488 -2.174 1.00 62.04 N +ATOM 3344 CA ASN B 73 70.774 25.454 -2.082 1.00 61.75 C +ATOM 3345 C ASN B 73 70.333 25.856 -3.473 1.00 60.82 C +ATOM 3346 O ASN B 73 69.160 26.152 -3.684 1.00 61.03 O +ATOM 3347 CB ASN B 73 71.180 26.722 -1.297 1.00 62.54 C +ATOM 3348 CG ASN B 73 71.649 26.423 0.137 1.00 63.30 C +ATOM 3349 OD1 ASN B 73 71.261 25.426 0.751 1.00 63.07 O +ATOM 3350 ND2 ASN B 73 72.478 27.316 0.678 1.00 64.14 N +ATOM 3351 N TYR B 74 71.273 25.854 -4.414 1.00 59.79 N +ATOM 3352 CA TYR B 74 71.008 26.242 -5.793 1.00 58.81 C +ATOM 3353 C TYR B 74 70.244 25.182 -6.527 1.00 58.18 C +ATOM 3354 O TYR B 74 69.306 25.483 -7.252 1.00 58.91 O +ATOM 3355 CB TYR B 74 72.324 26.527 -6.508 1.00 58.98 C +ATOM 3356 CG TYR B 74 72.743 27.964 -6.366 1.00 59.72 C +ATOM 3357 CD1 TYR B 74 72.231 28.936 -7.219 1.00 59.84 C +ATOM 3358 CD2 TYR B 74 73.591 28.371 -5.337 1.00 59.69 C +ATOM 3359 CE1 TYR B 74 72.545 30.274 -7.059 1.00 59.98 C +ATOM 3360 CE2 TYR B 74 73.912 29.713 -5.165 1.00 60.08 C +ATOM 3361 CZ TYR B 74 73.382 30.661 -6.032 1.00 60.61 C +ATOM 3362 OH TYR B 74 73.675 31.999 -5.877 1.00 61.45 O +ATOM 3363 N ILE B 75 70.637 23.936 -6.345 1.00 56.43 N +ATOM 3364 CA ILE B 75 69.967 22.851 -7.025 1.00 55.15 C +ATOM 3365 C ILE B 75 68.519 22.719 -6.539 1.00 53.69 C +ATOM 3366 O ILE B 75 67.599 22.659 -7.364 1.00 52.96 O +ATOM 3367 CB ILE B 75 70.772 21.522 -6.826 1.00 56.26 C +ATOM 3368 CG1 ILE B 75 72.087 21.593 -7.627 1.00 56.42 C +ATOM 3369 CG2 ILE B 75 69.936 20.311 -7.224 1.00 56.45 C +ATOM 3370 CD1 ILE B 75 71.947 21.724 -9.155 1.00 57.10 C +ATOM 3371 N LEU B 76 68.300 22.715 -5.226 1.00 52.55 N +ATOM 3372 CA LEU B 76 66.946 22.544 -4.719 1.00 51.08 C +ATOM 3373 C LEU B 76 66.019 23.713 -5.036 1.00 51.21 C +ATOM 3374 O LEU B 76 64.802 23.527 -4.999 1.00 51.82 O +ATOM 3375 CB LEU B 76 66.956 22.166 -3.229 1.00 49.04 C +ATOM 3376 CG LEU B 76 67.191 20.642 -3.190 1.00 48.43 C +ATOM 3377 CD1 LEU B 76 68.670 20.317 -3.174 1.00 48.59 C +ATOM 3378 CD2 LEU B 76 66.525 20.040 -1.997 1.00 48.27 C +ATOM 3379 N LEU B 77 66.525 24.898 -5.360 1.00 50.39 N +ATOM 3380 CA LEU B 77 65.568 25.936 -5.731 1.00 49.78 C +ATOM 3381 C LEU B 77 65.118 25.555 -7.133 1.00 49.91 C +ATOM 3382 O LEU B 77 63.928 25.654 -7.484 1.00 50.38 O +ATOM 3383 CB LEU B 77 66.204 27.330 -5.740 1.00 48.86 C +ATOM 3384 CG LEU B 77 65.211 28.400 -6.227 1.00 49.30 C +ATOM 3385 CD1 LEU B 77 64.056 28.532 -5.250 1.00 49.46 C +ATOM 3386 CD2 LEU B 77 65.898 29.730 -6.385 1.00 49.22 C +ATOM 3387 N ASN B 78 66.096 25.095 -7.917 1.00 49.59 N +ATOM 3388 CA ASN B 78 65.888 24.648 -9.290 1.00 48.73 C +ATOM 3389 C ASN B 78 64.725 23.702 -9.208 1.00 47.82 C +ATOM 3390 O ASN B 78 63.634 24.022 -9.673 1.00 47.45 O +ATOM 3391 CB ASN B 78 67.158 23.927 -9.788 1.00 48.71 C +ATOM 3392 CG ASN B 78 67.359 24.032 -11.296 1.00 49.38 C +ATOM 3393 OD1 ASN B 78 66.862 24.950 -11.938 1.00 49.77 O +ATOM 3394 ND2 ASN B 78 68.118 23.094 -11.857 1.00 49.58 N +ATOM 3395 N LEU B 79 64.953 22.568 -8.559 1.00 46.85 N +ATOM 3396 CA LEU B 79 63.929 21.564 -8.365 1.00 45.63 C +ATOM 3397 C LEU B 79 62.645 22.202 -7.911 1.00 45.84 C +ATOM 3398 O LEU B 79 61.597 21.867 -8.443 1.00 46.58 O +ATOM 3399 CB LEU B 79 64.399 20.555 -7.333 1.00 45.29 C +ATOM 3400 CG LEU B 79 65.421 19.535 -7.844 1.00 46.06 C +ATOM 3401 CD1 LEU B 79 66.486 20.220 -8.664 1.00 47.40 C +ATOM 3402 CD2 LEU B 79 66.037 18.812 -6.671 1.00 46.46 C +ATOM 3403 N ALA B 80 62.706 23.113 -6.946 1.00 45.47 N +ATOM 3404 CA ALA B 80 61.495 23.769 -6.466 1.00 45.10 C +ATOM 3405 C ALA B 80 60.809 24.436 -7.629 1.00 45.33 C +ATOM 3406 O ALA B 80 59.586 24.398 -7.700 1.00 45.80 O +ATOM 3407 CB ALA B 80 61.828 24.801 -5.392 1.00 45.13 C +ATOM 3408 N VAL B 81 61.584 25.030 -8.536 1.00 44.88 N +ATOM 3409 CA VAL B 81 61.029 25.714 -9.714 1.00 44.96 C +ATOM 3410 C VAL B 81 60.579 24.737 -10.799 1.00 45.08 C +ATOM 3411 O VAL B 81 59.611 24.989 -11.497 1.00 45.62 O +ATOM 3412 CB VAL B 81 62.053 26.676 -10.344 1.00 44.60 C +ATOM 3413 CG1 VAL B 81 61.572 27.134 -11.704 1.00 43.33 C +ATOM 3414 CG2 VAL B 81 62.231 27.867 -9.466 1.00 45.06 C +ATOM 3415 N ALA B 82 61.301 23.646 -10.970 1.00 45.23 N +ATOM 3416 CA ALA B 82 60.922 22.675 -11.968 1.00 44.90 C +ATOM 3417 C ALA B 82 59.637 22.000 -11.486 1.00 45.56 C +ATOM 3418 O ALA B 82 58.757 21.652 -12.293 1.00 45.50 O +ATOM 3419 CB ALA B 82 62.048 21.654 -12.134 1.00 44.06 C +ATOM 3420 N ASP B 83 59.521 21.851 -10.169 1.00 45.61 N +ATOM 3421 CA ASP B 83 58.362 21.202 -9.581 1.00 45.44 C +ATOM 3422 C ASP B 83 57.132 22.061 -9.726 1.00 45.96 C +ATOM 3423 O ASP B 83 56.035 21.537 -9.941 1.00 46.53 O +ATOM 3424 CB ASP B 83 58.611 20.907 -8.109 1.00 44.80 C +ATOM 3425 CG ASP B 83 59.601 19.787 -7.904 1.00 44.67 C +ATOM 3426 OD1 ASP B 83 60.020 19.152 -8.901 1.00 44.59 O +ATOM 3427 OD2 ASP B 83 59.955 19.542 -6.734 1.00 44.12 O +ATOM 3428 N LEU B 84 57.291 23.370 -9.608 1.00 45.80 N +ATOM 3429 CA LEU B 84 56.151 24.258 -9.744 1.00 46.50 C +ATOM 3430 C LEU B 84 55.631 24.226 -11.180 1.00 47.41 C +ATOM 3431 O LEU B 84 54.460 24.508 -11.416 1.00 48.05 O +ATOM 3432 CB LEU B 84 56.544 25.674 -9.327 1.00 47.56 C +ATOM 3433 CG LEU B 84 56.776 25.860 -7.823 1.00 47.99 C +ATOM 3434 CD1 LEU B 84 57.380 27.236 -7.592 1.00 46.99 C +ATOM 3435 CD2 LEU B 84 55.459 25.685 -7.052 1.00 47.71 C +ATOM 3436 N PHE B 85 56.492 23.889 -12.137 1.00 47.36 N +ATOM 3437 CA PHE B 85 56.064 23.789 -13.533 1.00 47.55 C +ATOM 3438 C PHE B 85 55.271 22.522 -13.732 1.00 47.21 C +ATOM 3439 O PHE B 85 54.204 22.558 -14.351 1.00 48.20 O +ATOM 3440 CB PHE B 85 57.256 23.788 -14.480 1.00 47.72 C +ATOM 3441 CG PHE B 85 57.716 25.148 -14.826 1.00 48.29 C +ATOM 3442 CD1 PHE B 85 56.831 26.048 -15.411 1.00 48.19 C +ATOM 3443 CD2 PHE B 85 59.019 25.548 -14.552 1.00 48.88 C +ATOM 3444 CE1 PHE B 85 57.240 27.341 -15.717 1.00 47.90 C +ATOM 3445 CE2 PHE B 85 59.444 26.835 -14.852 1.00 48.70 C +ATOM 3446 CZ PHE B 85 58.554 27.740 -15.438 1.00 47.98 C +ATOM 3447 N MET B 86 55.786 21.405 -13.231 1.00 46.19 N +ATOM 3448 CA MET B 86 55.062 20.154 -13.348 1.00 45.05 C +ATOM 3449 C MET B 86 53.657 20.393 -12.859 1.00 44.00 C +ATOM 3450 O MET B 86 52.716 20.196 -13.606 1.00 44.50 O +ATOM 3451 CB MET B 86 55.708 19.075 -12.481 1.00 45.22 C +ATOM 3452 CG MET B 86 57.158 18.783 -12.808 1.00 44.79 C +ATOM 3453 SD MET B 86 57.787 17.414 -11.823 1.00 47.66 S +ATOM 3454 CE MET B 86 57.243 16.022 -12.752 1.00 45.68 C +ATOM 3455 N VAL B 87 53.539 20.852 -11.615 1.00 42.46 N +ATOM 3456 CA VAL B 87 52.253 21.099 -10.974 1.00 41.12 C +ATOM 3457 C VAL B 87 51.309 21.976 -11.802 1.00 41.70 C +ATOM 3458 O VAL B 87 50.184 21.550 -12.117 1.00 42.19 O +ATOM 3459 CB VAL B 87 52.461 21.733 -9.586 1.00 39.09 C +ATOM 3460 CG1 VAL B 87 51.145 22.208 -9.020 1.00 37.84 C +ATOM 3461 CG2 VAL B 87 53.079 20.719 -8.653 1.00 37.96 C +ATOM 3462 N PHE B 88 51.749 23.181 -12.155 1.00 42.10 N +ATOM 3463 CA PHE B 88 50.905 24.116 -12.907 1.00 41.87 C +ATOM 3464 C PHE B 88 50.934 23.851 -14.380 1.00 41.31 C +ATOM 3465 O PHE B 88 49.897 23.896 -15.008 1.00 40.80 O +ATOM 3466 CB PHE B 88 51.339 25.563 -12.626 1.00 42.72 C +ATOM 3467 CG PHE B 88 51.028 26.028 -11.224 1.00 43.91 C +ATOM 3468 CD1 PHE B 88 49.712 26.259 -10.831 1.00 44.79 C +ATOM 3469 CD2 PHE B 88 52.044 26.193 -10.284 1.00 43.85 C +ATOM 3470 CE1 PHE B 88 49.416 26.640 -9.532 1.00 45.01 C +ATOM 3471 CE2 PHE B 88 51.756 26.573 -8.988 1.00 44.06 C +ATOM 3472 CZ PHE B 88 50.443 26.797 -8.609 1.00 45.18 C +ATOM 3473 N GLY B 89 52.111 23.580 -14.930 1.00 41.66 N +ATOM 3474 CA GLY B 89 52.219 23.316 -16.351 1.00 41.90 C +ATOM 3475 C GLY B 89 51.633 21.995 -16.827 1.00 42.79 C +ATOM 3476 O GLY B 89 51.060 21.932 -17.903 1.00 42.68 O +ATOM 3477 N GLY B 90 51.763 20.939 -16.032 1.00 43.32 N +ATOM 3478 CA GLY B 90 51.249 19.654 -16.469 1.00 43.20 C +ATOM 3479 C GLY B 90 50.197 18.987 -15.617 1.00 43.65 C +ATOM 3480 O GLY B 90 49.222 18.497 -16.143 1.00 45.05 O +ATOM 3481 N PHE B 91 50.393 18.976 -14.305 1.00 42.95 N +ATOM 3482 CA PHE B 91 49.458 18.331 -13.390 1.00 41.35 C +ATOM 3483 C PHE B 91 48.070 18.877 -13.542 1.00 41.69 C +ATOM 3484 O PHE B 91 47.083 18.166 -13.329 1.00 42.62 O +ATOM 3485 CB PHE B 91 49.943 18.457 -11.946 1.00 39.94 C +ATOM 3486 CG PHE B 91 51.128 17.588 -11.643 1.00 38.82 C +ATOM 3487 CD1 PHE B 91 51.667 16.762 -12.627 1.00 37.58 C +ATOM 3488 CD2 PHE B 91 51.702 17.579 -10.379 1.00 38.38 C +ATOM 3489 CE1 PHE B 91 52.752 15.948 -12.359 1.00 37.77 C +ATOM 3490 CE2 PHE B 91 52.798 16.759 -10.103 1.00 37.52 C +ATOM 3491 CZ PHE B 91 53.321 15.944 -11.098 1.00 36.95 C +ATOM 3492 N THR B 92 47.966 20.128 -13.937 1.00 41.59 N +ATOM 3493 CA THR B 92 46.650 20.709 -14.110 1.00 41.84 C +ATOM 3494 C THR B 92 45.896 20.014 -15.248 1.00 41.20 C +ATOM 3495 O THR B 92 44.708 19.767 -15.124 1.00 40.49 O +ATOM 3496 CB THR B 92 46.784 22.205 -14.370 1.00 43.41 C +ATOM 3497 OG1 THR B 92 47.801 22.428 -15.365 1.00 45.67 O +ATOM 3498 CG2 THR B 92 47.163 22.920 -13.069 1.00 44.36 C +ATOM 3499 N THR B 93 46.578 19.694 -16.341 1.00 40.67 N +ATOM 3500 CA THR B 93 45.922 19.029 -17.448 1.00 40.30 C +ATOM 3501 C THR B 93 45.638 17.602 -17.084 1.00 39.99 C +ATOM 3502 O THR B 93 44.605 17.081 -17.467 1.00 39.40 O +ATOM 3503 CB THR B 93 46.798 19.018 -18.711 1.00 41.17 C +ATOM 3504 OG1 THR B 93 46.911 20.339 -19.244 1.00 42.27 O +ATOM 3505 CG2 THR B 93 46.184 18.124 -19.771 1.00 41.58 C +ATOM 3506 N THR B 94 46.536 16.963 -16.343 1.00 39.96 N +ATOM 3507 CA THR B 94 46.335 15.562 -16.003 1.00 40.39 C +ATOM 3508 C THR B 94 45.161 15.368 -15.083 1.00 40.62 C +ATOM 3509 O THR B 94 44.559 14.284 -15.107 1.00 40.47 O +ATOM 3510 CB THR B 94 47.636 14.892 -15.429 1.00 40.95 C +ATOM 3511 OG1 THR B 94 47.295 13.694 -14.713 1.00 41.51 O +ATOM 3512 CG2 THR B 94 48.399 15.831 -14.562 1.00 40.33 C +ATOM 3513 N LEU B 95 44.817 16.417 -14.324 1.00 40.95 N +ATOM 3514 CA LEU B 95 43.667 16.413 -13.401 1.00 40.58 C +ATOM 3515 C LEU B 95 42.374 16.586 -14.195 1.00 41.06 C +ATOM 3516 O LEU B 95 41.427 15.833 -14.041 1.00 40.81 O +ATOM 3517 CB LEU B 95 43.793 17.560 -12.397 1.00 39.55 C +ATOM 3518 CG LEU B 95 42.590 17.701 -11.462 1.00 38.88 C +ATOM 3519 CD1 LEU B 95 42.288 16.376 -10.802 1.00 39.84 C +ATOM 3520 CD2 LEU B 95 42.875 18.733 -10.415 1.00 38.54 C +ATOM 3521 N TYR B 96 42.360 17.599 -15.044 1.00 42.22 N +ATOM 3522 CA TYR B 96 41.229 17.905 -15.887 1.00 43.12 C +ATOM 3523 C TYR B 96 40.889 16.706 -16.755 1.00 42.66 C +ATOM 3524 O TYR B 96 39.722 16.329 -16.870 1.00 42.86 O +ATOM 3525 CB TYR B 96 41.599 19.078 -16.766 1.00 45.75 C +ATOM 3526 CG TYR B 96 40.440 19.614 -17.554 1.00 50.20 C +ATOM 3527 CD1 TYR B 96 39.474 20.423 -16.951 1.00 51.62 C +ATOM 3528 CD2 TYR B 96 40.299 19.311 -18.907 1.00 52.67 C +ATOM 3529 CE1 TYR B 96 38.389 20.918 -17.681 1.00 53.69 C +ATOM 3530 CE2 TYR B 96 39.225 19.804 -19.649 1.00 54.49 C +ATOM 3531 CZ TYR B 96 38.271 20.605 -19.035 1.00 54.68 C +ATOM 3532 OH TYR B 96 37.203 21.061 -19.782 1.00 55.23 O +ATOM 3533 N THR B 97 41.914 16.130 -17.375 1.00 41.73 N +ATOM 3534 CA THR B 97 41.780 14.956 -18.247 1.00 40.99 C +ATOM 3535 C THR B 97 41.136 13.788 -17.492 1.00 40.62 C +ATOM 3536 O THR B 97 40.156 13.210 -17.956 1.00 40.35 O +ATOM 3537 CB THR B 97 43.181 14.528 -18.794 1.00 40.31 C +ATOM 3538 OG1 THR B 97 43.722 15.586 -19.594 1.00 40.48 O +ATOM 3539 CG2 THR B 97 43.089 13.291 -19.646 1.00 40.31 C +ATOM 3540 N SER B 98 41.689 13.441 -16.339 1.00 40.94 N +ATOM 3541 CA SER B 98 41.149 12.353 -15.535 1.00 41.45 C +ATOM 3542 C SER B 98 39.710 12.668 -15.174 1.00 41.67 C +ATOM 3543 O SER B 98 38.865 11.765 -15.132 1.00 42.42 O +ATOM 3544 CB SER B 98 41.959 12.192 -14.240 1.00 41.38 C +ATOM 3545 OG SER B 98 43.346 12.027 -14.487 1.00 40.92 O +ATOM 3546 N LEU B 99 39.435 13.942 -14.895 1.00 42.04 N +ATOM 3547 CA LEU B 99 38.094 14.367 -14.526 1.00 42.04 C +ATOM 3548 C LEU B 99 37.143 14.118 -15.645 1.00 43.24 C +ATOM 3549 O LEU B 99 35.946 14.033 -15.399 1.00 45.01 O +ATOM 3550 CB LEU B 99 38.075 15.845 -14.160 1.00 40.50 C +ATOM 3551 CG LEU B 99 38.606 16.091 -12.752 1.00 40.32 C +ATOM 3552 CD1 LEU B 99 38.696 17.582 -12.476 1.00 39.77 C +ATOM 3553 CD2 LEU B 99 37.702 15.410 -11.758 1.00 38.67 C +ATOM 3554 N HIS B 100 37.658 13.967 -16.862 1.00 43.76 N +ATOM 3555 CA HIS B 100 36.804 13.749 -18.020 1.00 43.37 C +ATOM 3556 C HIS B 100 36.953 12.394 -18.633 1.00 42.44 C +ATOM 3557 O HIS B 100 36.100 11.995 -19.386 1.00 42.36 O +ATOM 3558 CB HIS B 100 37.075 14.837 -19.037 1.00 45.33 C +ATOM 3559 CG HIS B 100 36.742 16.193 -18.521 1.00 48.76 C +ATOM 3560 ND1 HIS B 100 35.469 16.528 -18.114 1.00 50.07 N +ATOM 3561 CD2 HIS B 100 37.521 17.263 -18.249 1.00 49.72 C +ATOM 3562 CE1 HIS B 100 35.479 17.748 -17.610 1.00 50.87 C +ATOM 3563 NE2 HIS B 100 36.712 18.216 -17.679 1.00 51.17 N +ATOM 3564 N GLY B 101 38.018 11.673 -18.334 1.00 42.05 N +ATOM 3565 CA GLY B 101 38.140 10.362 -18.927 1.00 41.58 C +ATOM 3566 C GLY B 101 38.967 10.323 -20.191 1.00 41.82 C +ATOM 3567 O GLY B 101 39.250 9.251 -20.698 1.00 42.39 O +ATOM 3568 N TYR B 102 39.343 11.483 -20.716 1.00 41.49 N +ATOM 3569 CA TYR B 102 40.178 11.542 -21.916 1.00 41.64 C +ATOM 3570 C TYR B 102 40.729 12.915 -22.057 1.00 41.74 C +ATOM 3571 O TYR B 102 40.343 13.810 -21.305 1.00 41.70 O +ATOM 3572 CB TYR B 102 39.403 11.214 -23.187 1.00 42.22 C +ATOM 3573 CG TYR B 102 38.401 12.264 -23.565 1.00 43.25 C +ATOM 3574 CD1 TYR B 102 37.160 12.322 -22.925 1.00 43.73 C +ATOM 3575 CD2 TYR B 102 38.698 13.224 -24.537 1.00 43.93 C +ATOM 3576 CE1 TYR B 102 36.231 13.310 -23.235 1.00 44.41 C +ATOM 3577 CE2 TYR B 102 37.777 14.223 -24.859 1.00 44.20 C +ATOM 3578 CZ TYR B 102 36.546 14.258 -24.198 1.00 44.69 C +ATOM 3579 OH TYR B 102 35.628 15.246 -24.471 1.00 45.76 O +ATOM 3580 N PHE B 103 41.629 13.088 -23.022 1.00 41.92 N +ATOM 3581 CA PHE B 103 42.255 14.383 -23.260 1.00 42.21 C +ATOM 3582 C PHE B 103 41.297 15.280 -23.966 1.00 43.57 C +ATOM 3583 O PHE B 103 41.318 15.360 -25.185 1.00 43.12 O +ATOM 3584 CB PHE B 103 43.541 14.206 -24.064 1.00 40.22 C +ATOM 3585 CG PHE B 103 44.739 13.982 -23.205 1.00 39.52 C +ATOM 3586 CD1 PHE B 103 45.437 15.061 -22.672 1.00 38.74 C +ATOM 3587 CD2 PHE B 103 45.121 12.694 -22.850 1.00 39.40 C +ATOM 3588 CE1 PHE B 103 46.489 14.863 -21.798 1.00 38.85 C +ATOM 3589 CE2 PHE B 103 46.174 12.487 -21.973 1.00 39.97 C +ATOM 3590 CZ PHE B 103 46.860 13.574 -21.446 1.00 39.27 C +ATOM 3591 N VAL B 104 40.443 15.950 -23.201 1.00 45.63 N +ATOM 3592 CA VAL B 104 39.464 16.836 -23.807 1.00 48.83 C +ATOM 3593 C VAL B 104 40.197 17.962 -24.556 1.00 50.31 C +ATOM 3594 O VAL B 104 39.683 18.439 -25.581 1.00 51.85 O +ATOM 3595 CB VAL B 104 38.459 17.411 -22.749 1.00 48.51 C +ATOM 3596 CG1 VAL B 104 38.603 16.680 -21.421 1.00 48.36 C +ATOM 3597 CG2 VAL B 104 38.665 18.893 -22.583 1.00 50.17 C +ATOM 3598 N PHE B 105 41.385 18.360 -24.080 1.00 51.13 N +ATOM 3599 CA PHE B 105 42.171 19.422 -24.739 1.00 51.44 C +ATOM 3600 C PHE B 105 43.006 18.855 -25.874 1.00 49.67 C +ATOM 3601 O PHE B 105 44.030 19.438 -26.197 1.00 49.89 O +ATOM 3602 CB PHE B 105 43.142 20.112 -23.763 1.00 54.80 C +ATOM 3603 CG PHE B 105 42.476 20.773 -22.584 1.00 58.87 C +ATOM 3604 CD1 PHE B 105 41.423 21.689 -22.771 1.00 60.06 C +ATOM 3605 CD2 PHE B 105 42.918 20.499 -21.280 1.00 59.84 C +ATOM 3606 CE1 PHE B 105 40.811 22.329 -21.674 1.00 60.65 C +ATOM 3607 CE2 PHE B 105 42.317 21.130 -20.177 1.00 60.55 C +ATOM 3608 CZ PHE B 105 41.257 22.050 -20.376 1.00 60.67 C +ATOM 3609 N GLY B 106 42.601 17.732 -26.460 1.00 47.68 N +ATOM 3610 CA GLY B 106 43.376 17.161 -27.544 1.00 45.29 C +ATOM 3611 C GLY B 106 44.880 17.065 -27.309 1.00 44.42 C +ATOM 3612 O GLY B 106 45.358 17.100 -26.172 1.00 43.40 O +ATOM 3613 N PRO B 107 45.661 16.940 -28.392 1.00 44.33 N +ATOM 3614 CA PRO B 107 47.122 16.831 -28.327 1.00 44.37 C +ATOM 3615 C PRO B 107 47.890 17.962 -27.677 1.00 44.57 C +ATOM 3616 O PRO B 107 49.022 17.744 -27.265 1.00 44.52 O +ATOM 3617 CB PRO B 107 47.527 16.584 -29.785 1.00 44.18 C +ATOM 3618 CG PRO B 107 46.362 17.071 -30.580 1.00 43.84 C +ATOM 3619 CD PRO B 107 45.180 16.684 -29.761 1.00 43.97 C +ATOM 3620 N THR B 108 47.313 19.155 -27.585 1.00 44.90 N +ATOM 3621 CA THR B 108 48.017 20.241 -26.917 1.00 44.94 C +ATOM 3622 C THR B 108 48.094 19.897 -25.444 1.00 45.84 C +ATOM 3623 O THR B 108 49.162 20.027 -24.853 1.00 47.17 O +ATOM 3624 CB THR B 108 47.286 21.577 -27.090 1.00 44.19 C +ATOM 3625 OG1 THR B 108 47.546 22.078 -28.400 1.00 44.67 O +ATOM 3626 CG2 THR B 108 47.760 22.594 -26.066 1.00 44.20 C +ATOM 3627 N GLY B 109 46.970 19.451 -24.869 1.00 45.87 N +ATOM 3628 CA GLY B 109 46.921 19.076 -23.461 1.00 44.79 C +ATOM 3629 C GLY B 109 47.884 17.937 -23.198 1.00 44.24 C +ATOM 3630 O GLY B 109 48.552 17.907 -22.161 1.00 44.83 O +ATOM 3631 N CYS B 110 47.946 17.011 -24.159 1.00 43.45 N +ATOM 3632 CA CYS B 110 48.819 15.851 -24.107 1.00 42.94 C +ATOM 3633 C CYS B 110 50.260 16.303 -24.101 1.00 43.99 C +ATOM 3634 O CYS B 110 51.107 15.676 -23.430 1.00 43.81 O +ATOM 3635 CB CYS B 110 48.573 14.995 -25.335 1.00 42.64 C +ATOM 3636 SG CYS B 110 49.521 13.449 -25.467 1.00 41.21 S +ATOM 3637 N ASN B 111 50.546 17.360 -24.872 1.00 44.43 N +ATOM 3638 CA ASN B 111 51.894 17.929 -24.942 1.00 44.54 C +ATOM 3639 C ASN B 111 52.190 18.615 -23.621 1.00 44.63 C +ATOM 3640 O ASN B 111 53.293 18.483 -23.093 1.00 45.36 O +ATOM 3641 CB ASN B 111 52.008 18.945 -26.083 1.00 45.24 C +ATOM 3642 CG ASN B 111 51.867 18.306 -27.454 1.00 46.09 C +ATOM 3643 OD1 ASN B 111 52.535 17.319 -27.775 1.00 45.41 O +ATOM 3644 ND2 ASN B 111 51.003 18.882 -28.277 1.00 47.04 N +ATOM 3645 N LEU B 112 51.211 19.336 -23.088 1.00 43.68 N +ATOM 3646 CA LEU B 112 51.393 20.000 -21.816 1.00 42.82 C +ATOM 3647 C LEU B 112 51.698 18.950 -20.781 1.00 43.57 C +ATOM 3648 O LEU B 112 52.733 19.010 -20.111 1.00 44.09 O +ATOM 3649 CB LEU B 112 50.125 20.766 -21.429 1.00 41.74 C +ATOM 3650 CG LEU B 112 49.887 22.087 -22.159 1.00 41.04 C +ATOM 3651 CD1 LEU B 112 48.601 22.714 -21.671 1.00 39.53 C +ATOM 3652 CD2 LEU B 112 51.063 23.009 -21.914 1.00 39.39 C +ATOM 3653 N GLU B 113 50.807 17.975 -20.668 1.00 43.82 N +ATOM 3654 CA GLU B 113 50.958 16.904 -19.696 1.00 44.75 C +ATOM 3655 C GLU B 113 52.341 16.252 -19.816 1.00 45.66 C +ATOM 3656 O GLU B 113 53.090 16.208 -18.824 1.00 46.76 O +ATOM 3657 CB GLU B 113 49.842 15.871 -19.903 1.00 44.18 C +ATOM 3658 CG GLU B 113 49.261 15.297 -18.638 1.00 44.43 C +ATOM 3659 CD GLU B 113 50.249 14.445 -17.865 1.00 45.54 C +ATOM 3660 OE1 GLU B 113 50.825 13.517 -18.464 1.00 44.80 O +ATOM 3661 OE2 GLU B 113 50.441 14.698 -16.651 1.00 45.85 O +ATOM 3662 N GLY B 114 52.692 15.773 -21.009 1.00 45.62 N +ATOM 3663 CA GLY B 114 53.976 15.117 -21.197 1.00 45.73 C +ATOM 3664 C GLY B 114 55.256 15.941 -21.102 1.00 46.41 C +ATOM 3665 O GLY B 114 56.221 15.509 -20.474 1.00 46.29 O +ATOM 3666 N PHE B 115 55.271 17.124 -21.716 1.00 46.63 N +ATOM 3667 CA PHE B 115 56.469 17.976 -21.725 1.00 47.33 C +ATOM 3668 C PHE B 115 56.942 18.317 -20.337 1.00 47.50 C +ATOM 3669 O PHE B 115 58.116 18.084 -20.006 1.00 48.05 O +ATOM 3670 CB PHE B 115 56.219 19.289 -22.471 1.00 47.33 C +ATOM 3671 CG PHE B 115 57.355 20.267 -22.357 1.00 47.72 C +ATOM 3672 CD1 PHE B 115 58.497 20.114 -23.127 1.00 48.06 C +ATOM 3673 CD2 PHE B 115 57.294 21.317 -21.450 1.00 47.60 C +ATOM 3674 CE1 PHE B 115 59.554 20.983 -22.999 1.00 47.35 C +ATOM 3675 CE2 PHE B 115 58.349 22.188 -21.318 1.00 47.17 C +ATOM 3676 CZ PHE B 115 59.483 22.022 -22.094 1.00 47.20 C +ATOM 3677 N PHE B 116 56.047 18.893 -19.542 1.00 46.82 N +ATOM 3678 CA PHE B 116 56.384 19.301 -18.189 1.00 46.25 C +ATOM 3679 C PHE B 116 56.739 18.153 -17.310 1.00 45.89 C +ATOM 3680 O PHE B 116 57.668 18.283 -16.526 1.00 45.54 O +ATOM 3681 CB PHE B 116 55.245 20.113 -17.591 1.00 45.78 C +ATOM 3682 CG PHE B 116 55.170 21.478 -18.152 1.00 45.51 C +ATOM 3683 CD1 PHE B 116 56.263 22.335 -18.033 1.00 45.25 C +ATOM 3684 CD2 PHE B 116 54.055 21.894 -18.864 1.00 45.71 C +ATOM 3685 CE1 PHE B 116 56.248 23.575 -18.612 1.00 44.19 C +ATOM 3686 CE2 PHE B 116 54.025 23.149 -19.459 1.00 45.06 C +ATOM 3687 CZ PHE B 116 55.129 23.992 -19.333 1.00 44.27 C +ATOM 3688 N ALA B 117 56.023 17.042 -17.423 1.00 45.40 N +ATOM 3689 CA ALA B 117 56.337 15.897 -16.602 1.00 45.32 C +ATOM 3690 C ALA B 117 57.717 15.421 -16.992 1.00 45.75 C +ATOM 3691 O ALA B 117 58.470 14.906 -16.157 1.00 46.21 O +ATOM 3692 CB ALA B 117 55.305 14.809 -16.818 1.00 44.97 C +ATOM 3693 N THR B 118 58.062 15.615 -18.260 1.00 46.06 N +ATOM 3694 CA THR B 118 59.361 15.204 -18.751 1.00 47.01 C +ATOM 3695 C THR B 118 60.393 16.268 -18.431 1.00 47.59 C +ATOM 3696 O THR B 118 61.502 15.934 -18.009 1.00 48.51 O +ATOM 3697 CB THR B 118 59.321 14.980 -20.248 1.00 47.26 C +ATOM 3698 OG1 THR B 118 58.354 13.965 -20.545 1.00 49.00 O +ATOM 3699 CG2 THR B 118 60.678 14.531 -20.742 1.00 48.04 C +ATOM 3700 N LEU B 119 60.051 17.535 -18.637 1.00 47.57 N +ATOM 3701 CA LEU B 119 60.975 18.612 -18.321 1.00 48.25 C +ATOM 3702 C LEU B 119 61.363 18.478 -16.845 1.00 48.42 C +ATOM 3703 O LEU B 119 62.543 18.542 -16.492 1.00 48.49 O +ATOM 3704 CB LEU B 119 60.299 19.967 -18.552 1.00 49.29 C +ATOM 3705 CG LEU B 119 61.079 21.149 -19.157 1.00 49.94 C +ATOM 3706 CD1 LEU B 119 60.573 22.429 -18.505 1.00 49.31 C +ATOM 3707 CD2 LEU B 119 62.584 20.997 -18.953 1.00 50.14 C +ATOM 3708 N GLY B 120 60.357 18.269 -15.998 1.00 48.30 N +ATOM 3709 CA GLY B 120 60.571 18.130 -14.567 1.00 47.57 C +ATOM 3710 C GLY B 120 61.428 16.959 -14.112 1.00 48.03 C +ATOM 3711 O GLY B 120 62.316 17.139 -13.272 1.00 48.82 O +ATOM 3712 N GLY B 121 61.161 15.764 -14.636 1.00 48.07 N +ATOM 3713 CA GLY B 121 61.944 14.591 -14.261 1.00 48.69 C +ATOM 3714 C GLY B 121 63.396 14.614 -14.739 1.00 49.60 C +ATOM 3715 O GLY B 121 64.305 14.182 -14.011 1.00 49.48 O +ATOM 3716 N GLU B 122 63.623 15.106 -15.959 1.00 50.20 N +ATOM 3717 CA GLU B 122 64.967 15.182 -16.507 1.00 51.20 C +ATOM 3718 C GLU B 122 65.778 16.275 -15.808 1.00 51.72 C +ATOM 3719 O GLU B 122 66.979 16.098 -15.606 1.00 52.45 O +ATOM 3720 CB GLU B 122 64.909 15.401 -18.013 1.00 51.19 C +ATOM 3721 CG GLU B 122 64.750 14.103 -18.809 1.00 53.05 C +ATOM 3722 CD GLU B 122 65.939 13.130 -18.650 1.00 54.87 C +ATOM 3723 OE1 GLU B 122 67.103 13.589 -18.643 1.00 56.61 O +ATOM 3724 OE2 GLU B 122 65.728 11.898 -18.552 1.00 54.58 O +ATOM 3725 N ILE B 123 65.161 17.401 -15.454 1.00 51.49 N +ATOM 3726 CA ILE B 123 65.904 18.423 -14.731 1.00 51.07 C +ATOM 3727 C ILE B 123 66.383 17.788 -13.452 1.00 51.00 C +ATOM 3728 O ILE B 123 67.468 18.075 -12.975 1.00 51.18 O +ATOM 3729 CB ILE B 123 65.020 19.623 -14.372 1.00 50.75 C +ATOM 3730 CG1 ILE B 123 64.944 20.575 -15.557 1.00 50.27 C +ATOM 3731 CG2 ILE B 123 65.568 20.345 -13.149 1.00 50.69 C +ATOM 3732 CD1 ILE B 123 64.030 21.756 -15.306 1.00 51.18 C +ATOM 3733 N ALA B 124 65.565 16.897 -12.916 1.00 50.87 N +ATOM 3734 CA ALA B 124 65.879 16.211 -11.679 1.00 50.87 C +ATOM 3735 C ALA B 124 67.022 15.264 -11.877 1.00 51.61 C +ATOM 3736 O ALA B 124 67.832 15.113 -10.984 1.00 52.55 O +ATOM 3737 CB ALA B 124 64.654 15.459 -11.174 1.00 50.11 C +ATOM 3738 N LEU B 125 67.104 14.615 -13.028 1.00 52.52 N +ATOM 3739 CA LEU B 125 68.193 13.670 -13.254 1.00 53.65 C +ATOM 3740 C LEU B 125 69.481 14.421 -13.525 1.00 55.33 C +ATOM 3741 O LEU B 125 70.539 14.015 -13.035 1.00 56.04 O +ATOM 3742 CB LEU B 125 67.870 12.735 -14.426 1.00 52.50 C +ATOM 3743 CG LEU B 125 68.936 11.719 -14.850 1.00 51.10 C +ATOM 3744 CD1 LEU B 125 69.277 10.801 -13.697 1.00 50.68 C +ATOM 3745 CD2 LEU B 125 68.434 10.919 -16.049 1.00 51.44 C +ATOM 3746 N TRP B 126 69.411 15.510 -14.287 1.00 56.35 N +ATOM 3747 CA TRP B 126 70.620 16.270 -14.583 1.00 57.64 C +ATOM 3748 C TRP B 126 71.157 16.895 -13.316 1.00 57.55 C +ATOM 3749 O TRP B 126 72.351 16.764 -13.040 1.00 57.61 O +ATOM 3750 CB TRP B 126 70.353 17.314 -15.687 1.00 59.09 C +ATOM 3751 CG TRP B 126 70.219 16.619 -16.996 1.00 61.19 C +ATOM 3752 CD1 TRP B 126 69.069 16.415 -17.714 1.00 62.01 C +ATOM 3753 CD2 TRP B 126 71.226 15.826 -17.629 1.00 62.21 C +ATOM 3754 NE1 TRP B 126 69.301 15.527 -18.740 1.00 62.01 N +ATOM 3755 CE2 TRP B 126 70.617 15.150 -18.707 1.00 62.36 C +ATOM 3756 CE3 TRP B 126 72.586 15.615 -17.379 1.00 62.98 C +ATOM 3757 CZ2 TRP B 126 71.322 14.278 -19.531 1.00 63.28 C +ATOM 3758 CZ3 TRP B 126 73.284 14.751 -18.199 1.00 63.27 C +ATOM 3759 CH2 TRP B 126 72.650 14.092 -19.262 1.00 63.65 C +ATOM 3760 N SER B 127 70.288 17.533 -12.534 1.00 57.29 N +ATOM 3761 CA SER B 127 70.702 18.147 -11.276 1.00 57.13 C +ATOM 3762 C SER B 127 71.329 17.104 -10.351 1.00 57.68 C +ATOM 3763 O SER B 127 72.073 17.467 -9.447 1.00 58.05 O +ATOM 3764 CB SER B 127 69.505 18.803 -10.581 1.00 55.89 C +ATOM 3765 OG SER B 127 68.999 19.881 -11.349 1.00 55.53 O +ATOM 3766 N LEU B 128 71.040 15.822 -10.572 1.00 58.30 N +ATOM 3767 CA LEU B 128 71.595 14.761 -9.730 1.00 58.98 C +ATOM 3768 C LEU B 128 73.024 14.487 -10.132 1.00 59.81 C +ATOM 3769 O LEU B 128 73.793 13.945 -9.344 1.00 60.24 O +ATOM 3770 CB LEU B 128 70.743 13.476 -9.826 1.00 58.82 C +ATOM 3771 CG LEU B 128 69.506 13.334 -8.903 1.00 59.32 C +ATOM 3772 CD1 LEU B 128 68.726 12.057 -9.215 1.00 59.68 C +ATOM 3773 CD2 LEU B 128 69.955 13.297 -7.439 1.00 59.75 C +ATOM 3774 N VAL B 129 73.390 14.851 -11.354 1.00 60.51 N +ATOM 3775 CA VAL B 129 74.763 14.654 -11.800 1.00 60.86 C +ATOM 3776 C VAL B 129 75.576 15.850 -11.308 1.00 60.78 C +ATOM 3777 O VAL B 129 76.688 15.674 -10.781 1.00 60.70 O +ATOM 3778 CB VAL B 129 74.840 14.554 -13.335 1.00 60.77 C +ATOM 3779 CG1 VAL B 129 76.256 14.216 -13.761 1.00 60.01 C +ATOM 3780 CG2 VAL B 129 73.877 13.485 -13.826 1.00 61.40 C +ATOM 3781 N VAL B 130 75.007 17.048 -11.470 1.00 60.08 N +ATOM 3782 CA VAL B 130 75.638 18.284 -11.025 1.00 59.51 C +ATOM 3783 C VAL B 130 76.024 18.113 -9.578 1.00 60.71 C +ATOM 3784 O VAL B 130 77.044 18.630 -9.161 1.00 60.96 O +ATOM 3785 CB VAL B 130 74.668 19.490 -11.156 1.00 58.66 C +ATOM 3786 CG1 VAL B 130 75.221 20.700 -10.438 1.00 57.69 C +ATOM 3787 CG2 VAL B 130 74.453 19.822 -12.617 1.00 57.75 C +ATOM 3788 N LEU B 131 75.214 17.373 -8.825 1.00 61.63 N +ATOM 3789 CA LEU B 131 75.469 17.114 -7.412 1.00 62.70 C +ATOM 3790 C LEU B 131 76.498 16.034 -7.258 1.00 64.00 C +ATOM 3791 O LEU B 131 77.316 16.126 -6.352 1.00 64.67 O +ATOM 3792 CB LEU B 131 74.194 16.663 -6.697 1.00 62.19 C +ATOM 3793 CG LEU B 131 73.292 17.680 -5.999 1.00 61.40 C +ATOM 3794 CD1 LEU B 131 72.904 18.762 -6.954 1.00 61.57 C +ATOM 3795 CD2 LEU B 131 72.058 16.977 -5.476 1.00 62.06 C +ATOM 3796 N ALA B 132 76.440 15.003 -8.103 1.00 65.38 N +ATOM 3797 CA ALA B 132 77.400 13.898 -8.044 1.00 67.00 C +ATOM 3798 C ALA B 132 78.768 14.505 -8.164 1.00 68.20 C +ATOM 3799 O ALA B 132 79.672 14.180 -7.404 1.00 68.23 O +ATOM 3800 CB ALA B 132 77.162 12.914 -9.194 1.00 66.00 C +ATOM 3801 N ILE B 133 78.886 15.425 -9.113 1.00 69.31 N +ATOM 3802 CA ILE B 133 80.127 16.122 -9.379 1.00 70.50 C +ATOM 3803 C ILE B 133 80.533 16.989 -8.212 1.00 71.32 C +ATOM 3804 O ILE B 133 81.528 16.690 -7.562 1.00 71.59 O +ATOM 3805 CB ILE B 133 79.984 16.958 -10.665 1.00 70.37 C +ATOM 3806 CG1 ILE B 133 79.882 15.996 -11.843 1.00 70.18 C +ATOM 3807 CG2 ILE B 133 81.141 17.927 -10.824 1.00 70.46 C +ATOM 3808 CD1 ILE B 133 80.731 14.716 -11.657 1.00 70.12 C +ATOM 3809 N GLU B 134 79.778 18.046 -7.939 1.00 71.74 N +ATOM 3810 CA GLU B 134 80.105 18.931 -6.840 1.00 72.45 C +ATOM 3811 C GLU B 134 80.445 18.126 -5.617 1.00 73.34 C +ATOM 3812 O GLU B 134 81.281 18.542 -4.842 1.00 73.42 O +ATOM 3813 CB GLU B 134 78.936 19.862 -6.543 1.00 72.72 C +ATOM 3814 CG GLU B 134 79.248 20.933 -5.505 1.00 74.79 C +ATOM 3815 CD GLU B 134 78.844 20.542 -4.083 1.00 76.27 C +ATOM 3816 OE1 GLU B 134 79.077 19.374 -3.688 1.00 76.86 O +ATOM 3817 OE2 GLU B 134 78.301 21.413 -3.354 1.00 76.74 O +ATOM 3818 N ARG B 135 79.815 16.970 -5.449 1.00 74.44 N +ATOM 3819 CA ARG B 135 80.064 16.116 -4.285 1.00 75.76 C +ATOM 3820 C ARG B 135 81.461 15.521 -4.352 1.00 77.06 C +ATOM 3821 O ARG B 135 82.149 15.448 -3.343 1.00 77.47 O +ATOM 3822 CB ARG B 135 79.041 14.980 -4.238 1.00 75.53 C +ATOM 3823 CG ARG B 135 78.754 14.461 -2.850 1.00 75.10 C +ATOM 3824 CD ARG B 135 77.658 15.281 -2.221 1.00 75.52 C +ATOM 3825 NE ARG B 135 77.945 16.719 -2.207 1.00 74.97 N +ATOM 3826 CZ ARG B 135 78.592 17.357 -1.230 1.00 74.59 C +ATOM 3827 NH1 ARG B 135 79.040 16.686 -0.172 1.00 73.76 N +ATOM 3828 NH2 ARG B 135 78.761 18.674 -1.291 1.00 73.72 N +ATOM 3829 N TYR B 136 81.857 15.077 -5.541 1.00 78.40 N +ATOM 3830 CA TYR B 136 83.168 14.469 -5.781 1.00 79.94 C +ATOM 3831 C TYR B 136 84.235 15.536 -5.737 1.00 81.06 C +ATOM 3832 O TYR B 136 85.385 15.258 -5.431 1.00 80.63 O +ATOM 3833 CB TYR B 136 83.179 13.807 -7.158 1.00 80.04 C +ATOM 3834 CG TYR B 136 84.545 13.383 -7.631 1.00 80.27 C +ATOM 3835 CD1 TYR B 136 85.087 12.161 -7.242 1.00 80.16 C +ATOM 3836 CD2 TYR B 136 85.303 14.215 -8.456 1.00 80.24 C +ATOM 3837 CE1 TYR B 136 86.358 11.768 -7.666 1.00 80.76 C +ATOM 3838 CE2 TYR B 136 86.575 13.839 -8.887 1.00 80.79 C +ATOM 3839 CZ TYR B 136 87.103 12.610 -8.489 1.00 81.36 C +ATOM 3840 OH TYR B 136 88.369 12.233 -8.907 1.00 81.70 O +ATOM 3841 N VAL B 137 83.839 16.757 -6.061 1.00 82.25 N +ATOM 3842 CA VAL B 137 84.741 17.894 -6.080 1.00 83.70 C +ATOM 3843 C VAL B 137 84.997 18.413 -4.666 1.00 84.55 C +ATOM 3844 O VAL B 137 85.914 19.213 -4.477 1.00 84.48 O +ATOM 3845 CB VAL B 137 84.151 19.032 -6.955 1.00 84.01 C +ATOM 3846 CG1 VAL B 137 85.065 20.253 -6.938 1.00 84.71 C +ATOM 3847 CG2 VAL B 137 83.954 18.527 -8.375 1.00 84.24 C +ATOM 3848 N VAL B 138 84.206 17.983 -3.683 1.00 85.26 N +ATOM 3849 CA VAL B 138 84.423 18.446 -2.313 1.00 86.33 C +ATOM 3850 C VAL B 138 84.890 17.305 -1.457 1.00 87.18 C +ATOM 3851 O VAL B 138 85.557 17.518 -0.469 1.00 87.36 O +ATOM 3852 CB VAL B 138 83.145 19.046 -1.676 1.00 85.58 C +ATOM 3853 CG1 VAL B 138 82.598 20.160 -2.551 1.00 85.24 C +ATOM 3854 CG2 VAL B 138 82.118 17.958 -1.444 1.00 85.70 C +ATOM 3855 N VAL B 139 84.550 16.087 -1.834 1.00 89.01 N +ATOM 3856 CA VAL B 139 84.967 14.949 -1.043 1.00 91.63 C +ATOM 3857 C VAL B 139 86.272 14.398 -1.552 1.00 93.94 C +ATOM 3858 O VAL B 139 87.103 13.999 -0.751 1.00 94.17 O +ATOM 3859 CB VAL B 139 83.911 13.851 -1.067 1.00 91.61 C +ATOM 3860 CG1 VAL B 139 84.461 12.593 -0.420 1.00 91.25 C +ATOM 3861 CG2 VAL B 139 82.663 14.335 -0.350 1.00 91.25 C +ATOM 3862 N CYS B 140 86.454 14.365 -2.870 1.00 96.68 N +ATOM 3863 CA CYS B 140 87.697 13.853 -3.464 1.00 99.52 C +ATOM 3864 C CYS B 140 88.534 15.014 -3.998 1.00100.85 C +ATOM 3865 O CYS B 140 89.507 14.782 -4.725 1.00101.16 O +ATOM 3866 CB CYS B 140 87.392 12.874 -4.613 1.00 99.59 C +ATOM 3867 SG CYS B 140 86.499 11.357 -4.144 1.00103.41 S +ATOM 3868 N LYS B 141 88.144 16.237 -3.632 1.00102.72 N +ATOM 3869 CA LYS B 141 88.794 17.490 -4.043 1.00104.27 C +ATOM 3870 C LYS B 141 90.020 17.278 -4.931 1.00105.81 C +ATOM 3871 O LYS B 141 91.137 17.160 -4.409 1.00105.60 O +ATOM 3872 CB LYS B 141 89.206 18.314 -2.810 1.00103.93 C +ATOM 3873 CG LYS B 141 89.751 19.694 -3.170 1.00103.47 C +ATOM 3874 CD LYS B 141 90.298 20.448 -1.978 1.00103.18 C +ATOM 3875 CE LYS B 141 90.938 21.749 -2.442 1.00103.14 C +ATOM 3876 NZ LYS B 141 91.606 22.489 -1.336 1.00102.55 N +ATOM 3877 N PRO B 142 89.836 17.218 -6.271 1.00107.35 N +ATOM 3878 CA PRO B 142 90.982 17.023 -7.177 1.00108.24 C +ATOM 3879 C PRO B 142 91.756 18.332 -7.414 1.00109.19 C +ATOM 3880 O PRO B 142 92.736 18.348 -8.177 1.00109.27 O +ATOM 3881 CB PRO B 142 90.330 16.497 -8.465 1.00108.13 C +ATOM 3882 CG PRO B 142 89.037 15.885 -7.990 1.00108.10 C +ATOM 3883 CD PRO B 142 88.576 16.906 -6.971 1.00107.73 C +ATOM 3884 N MET B 143 91.321 19.407 -6.755 1.00109.88 N +ATOM 3885 CA MET B 143 91.951 20.715 -6.906 1.00110.66 C +ATOM 3886 C MET B 143 92.843 21.078 -5.741 1.00110.94 C +ATOM 3887 O MET B 143 93.114 20.246 -4.866 1.00110.90 O +ATOM 3888 CB MET B 143 90.888 21.800 -7.106 1.00110.60 C +ATOM 3889 CG MET B 143 90.997 22.459 -8.463 1.00111.70 C +ATOM 3890 SD MET B 143 91.060 21.202 -9.763 1.00114.92 S +ATOM 3891 CE MET B 143 92.889 20.868 -9.920 1.00113.69 C +ATOM 3892 N SER B 144 93.296 22.333 -5.743 1.00111.23 N +ATOM 3893 CA SER B 144 94.187 22.858 -4.712 1.00110.88 C +ATOM 3894 C SER B 144 93.452 23.856 -3.823 1.00110.57 C +ATOM 3895 O SER B 144 93.318 23.621 -2.621 1.00110.06 O +ATOM 3896 CB SER B 144 95.405 23.515 -5.377 1.00110.81 C +ATOM 3897 OG SER B 144 96.072 22.595 -6.234 1.00110.12 O +ATOM 3898 N ASN B 145 92.992 24.963 -4.396 1.00110.25 N +ATOM 3899 CA ASN B 145 92.256 25.967 -3.624 1.00110.00 C +ATOM 3900 C ASN B 145 91.039 26.402 -4.417 1.00109.75 C +ATOM 3901 O ASN B 145 90.620 27.568 -4.333 1.00109.60 O +ATOM 3902 CB ASN B 145 93.154 27.172 -3.302 1.00110.02 C +ATOM 3903 CG ASN B 145 93.635 27.897 -4.549 1.00110.33 C +ATOM 3904 OD1 ASN B 145 93.981 27.267 -5.553 1.00110.29 O +ATOM 3905 ND2 ASN B 145 93.673 29.227 -4.485 1.00109.94 N +ATOM 3906 N PHE B 146 90.478 25.454 -5.174 1.00109.42 N +ATOM 3907 CA PHE B 146 89.294 25.672 -6.013 1.00108.67 C +ATOM 3908 C PHE B 146 88.010 25.617 -5.180 1.00108.03 C +ATOM 3909 O PHE B 146 87.764 24.632 -4.468 1.00107.98 O +ATOM 3910 CB PHE B 146 89.231 24.614 -7.125 1.00108.64 C +ATOM 3911 CG PHE B 146 87.982 24.684 -7.956 1.00108.64 C +ATOM 3912 CD1 PHE B 146 87.708 25.809 -8.734 1.00108.92 C +ATOM 3913 CD2 PHE B 146 87.056 23.645 -7.925 1.00108.65 C +ATOM 3914 CE1 PHE B 146 86.524 25.899 -9.469 1.00108.81 C +ATOM 3915 CE2 PHE B 146 85.868 23.728 -8.657 1.00108.57 C +ATOM 3916 CZ PHE B 146 85.601 24.854 -9.429 1.00108.28 C +ATOM 3917 N ARG B 147 87.196 26.668 -5.280 1.00106.70 N +ATOM 3918 CA ARG B 147 85.945 26.737 -4.542 1.00104.93 C +ATOM 3919 C ARG B 147 84.796 26.794 -5.538 1.00103.60 C +ATOM 3920 O ARG B 147 84.828 27.598 -6.476 1.00103.78 O +ATOM 3921 CB ARG B 147 85.938 27.977 -3.640 1.00105.05 C +ATOM 3922 CG ARG B 147 85.148 27.821 -2.348 1.00105.06 C +ATOM 3923 CD ARG B 147 84.666 29.175 -1.880 1.00105.19 C +ATOM 3924 NE ARG B 147 83.647 29.712 -2.779 1.00105.49 N +ATOM 3925 CZ ARG B 147 83.276 30.987 -2.823 1.00105.59 C +ATOM 3926 NH1 ARG B 147 83.844 31.874 -2.022 1.00105.47 N +ATOM 3927 NH2 ARG B 147 82.331 31.377 -3.667 1.00105.33 N +ATOM 3928 N PHE B 148 83.799 25.935 -5.330 1.00101.49 N +ATOM 3929 CA PHE B 148 82.617 25.837 -6.184 1.00 99.08 C +ATOM 3930 C PHE B 148 81.685 27.002 -5.902 1.00 97.12 C +ATOM 3931 O PHE B 148 80.598 26.804 -5.371 1.00 96.91 O +ATOM 3932 CB PHE B 148 81.906 24.523 -5.882 1.00 99.99 C +ATOM 3933 CG PHE B 148 81.304 23.860 -7.083 1.00101.11 C +ATOM 3934 CD1 PHE B 148 80.194 24.410 -7.731 1.00101.15 C +ATOM 3935 CD2 PHE B 148 81.836 22.660 -7.556 1.00101.67 C +ATOM 3936 CE1 PHE B 148 79.616 23.767 -8.837 1.00101.78 C +ATOM 3937 CE2 PHE B 148 81.270 22.006 -8.660 1.00102.18 C +ATOM 3938 CZ PHE B 148 80.155 22.563 -9.303 1.00102.35 C +ATOM 3939 N GLY B 149 82.100 28.210 -6.263 1.00 94.93 N +ATOM 3940 CA GLY B 149 81.280 29.378 -6.001 1.00 92.49 C +ATOM 3941 C GLY B 149 79.882 29.345 -6.582 1.00 90.78 C +ATOM 3942 O GLY B 149 79.498 28.407 -7.277 1.00 89.89 O +ATOM 3943 N GLU B 150 79.118 30.390 -6.278 1.00 89.80 N +ATOM 3944 CA GLU B 150 77.757 30.527 -6.775 1.00 89.02 C +ATOM 3945 C GLU B 150 77.791 30.524 -8.289 1.00 88.54 C +ATOM 3946 O GLU B 150 76.829 30.093 -8.923 1.00 89.00 O +ATOM 3947 CB GLU B 150 77.125 31.835 -6.265 1.00 88.70 C +ATOM 3948 CG GLU B 150 76.764 31.817 -4.775 1.00 88.48 C +ATOM 3949 CD GLU B 150 76.220 33.149 -4.250 1.00 88.72 C +ATOM 3950 OE1 GLU B 150 75.201 33.653 -4.780 1.00 88.77 O +ATOM 3951 OE2 GLU B 150 76.812 33.690 -3.288 1.00 88.60 O +ATOM 3952 N ASN B 151 78.898 30.988 -8.868 1.00 87.87 N +ATOM 3953 CA ASN B 151 79.032 31.034 -10.321 1.00 86.84 C +ATOM 3954 C ASN B 151 79.012 29.625 -10.910 1.00 85.29 C +ATOM 3955 O ASN B 151 78.344 29.406 -11.910 1.00 85.15 O +ATOM 3956 CB ASN B 151 80.312 31.793 -10.734 1.00 87.84 C +ATOM 3957 CG ASN B 151 81.602 31.090 -10.301 1.00 88.88 C +ATOM 3958 OD1 ASN B 151 81.931 31.023 -9.110 1.00 89.41 O +ATOM 3959 ND2 ASN B 151 82.342 30.571 -11.280 1.00 89.30 N +ATOM 3960 N HIS B 152 79.716 28.674 -10.308 1.00 83.42 N +ATOM 3961 CA HIS B 152 79.690 27.320 -10.839 1.00 82.01 C +ATOM 3962 C HIS B 152 78.291 26.742 -10.636 1.00 80.87 C +ATOM 3963 O HIS B 152 77.910 25.791 -11.320 1.00 81.00 O +ATOM 3964 CB HIS B 152 80.705 26.434 -10.124 1.00 82.54 C +ATOM 3965 CG HIS B 152 82.118 26.916 -10.219 1.00 84.10 C +ATOM 3966 ND1 HIS B 152 82.583 28.012 -9.519 1.00 84.53 N +ATOM 3967 CD2 HIS B 152 83.176 26.440 -10.918 1.00 84.36 C +ATOM 3968 CE1 HIS B 152 83.866 28.187 -9.783 1.00 84.66 C +ATOM 3969 NE2 HIS B 152 84.251 27.247 -10.629 1.00 84.63 N +ATOM 3970 N ALA B 153 77.533 27.318 -9.702 1.00 79.31 N +ATOM 3971 CA ALA B 153 76.183 26.859 -9.398 1.00 77.11 C +ATOM 3972 C ALA B 153 75.207 27.300 -10.459 1.00 75.93 C +ATOM 3973 O ALA B 153 74.397 26.492 -10.868 1.00 76.24 O +ATOM 3974 CB ALA B 153 75.745 27.374 -8.043 1.00 77.42 C +ATOM 3975 N ILE B 154 75.252 28.555 -10.899 1.00 74.12 N +ATOM 3976 CA ILE B 154 74.319 28.997 -11.936 1.00 73.22 C +ATOM 3977 C ILE B 154 74.639 28.280 -13.232 1.00 73.20 C +ATOM 3978 O ILE B 154 73.786 28.199 -14.116 1.00 73.33 O +ATOM 3979 CB ILE B 154 74.388 30.526 -12.180 1.00 72.59 C +ATOM 3980 CG1 ILE B 154 73.772 31.277 -11.005 1.00 72.16 C +ATOM 3981 CG2 ILE B 154 73.616 30.899 -13.437 1.00 72.34 C +ATOM 3982 CD1 ILE B 154 74.514 31.122 -9.714 1.00 71.82 C +ATOM 3983 N MET B 155 75.860 27.764 -13.345 1.00 73.19 N +ATOM 3984 CA MET B 155 76.281 27.034 -14.536 1.00 73.35 C +ATOM 3985 C MET B 155 75.629 25.679 -14.515 1.00 72.54 C +ATOM 3986 O MET B 155 74.899 25.347 -15.450 1.00 72.64 O +ATOM 3987 CB MET B 155 77.804 26.871 -14.567 1.00 75.15 C +ATOM 3988 CG MET B 155 78.578 28.184 -14.708 1.00 77.34 C +ATOM 3989 SD MET B 155 78.201 29.097 -16.239 1.00 81.84 S +ATOM 3990 CE MET B 155 76.671 30.038 -15.807 1.00 80.36 C +ATOM 3991 N GLY B 156 75.892 24.908 -13.457 1.00 71.54 N +ATOM 3992 CA GLY B 156 75.303 23.583 -13.299 1.00 70.35 C +ATOM 3993 C GLY B 156 73.778 23.596 -13.273 1.00 69.43 C +ATOM 3994 O GLY B 156 73.148 22.550 -13.369 1.00 70.07 O +ATOM 3995 N VAL B 157 73.192 24.782 -13.115 1.00 68.04 N +ATOM 3996 CA VAL B 157 71.747 24.951 -13.116 1.00 66.73 C +ATOM 3997 C VAL B 157 71.305 25.036 -14.557 1.00 66.37 C +ATOM 3998 O VAL B 157 70.538 24.199 -15.029 1.00 67.31 O +ATOM 3999 CB VAL B 157 71.323 26.246 -12.368 1.00 66.10 C +ATOM 4000 CG1 VAL B 157 69.987 26.744 -12.876 1.00 66.10 C +ATOM 4001 CG2 VAL B 157 71.205 25.966 -10.886 1.00 66.01 C +ATOM 4002 N ALA B 158 71.795 26.043 -15.265 1.00 65.47 N +ATOM 4003 CA ALA B 158 71.442 26.219 -16.668 1.00 63.81 C +ATOM 4004 C ALA B 158 71.760 24.950 -17.438 1.00 62.88 C +ATOM 4005 O ALA B 158 71.041 24.601 -18.369 1.00 62.61 O +ATOM 4006 CB ALA B 158 72.209 27.388 -17.245 1.00 63.44 C +ATOM 4007 N PHE B 159 72.828 24.266 -17.042 1.00 61.95 N +ATOM 4008 CA PHE B 159 73.253 23.029 -17.689 1.00 61.73 C +ATOM 4009 C PHE B 159 72.156 21.999 -17.655 1.00 62.20 C +ATOM 4010 O PHE B 159 71.970 21.276 -18.644 1.00 62.46 O +ATOM 4011 CB PHE B 159 74.464 22.464 -16.971 1.00 61.30 C +ATOM 4012 CG PHE B 159 74.670 21.009 -17.205 1.00 61.05 C +ATOM 4013 CD1 PHE B 159 75.151 20.549 -18.421 1.00 61.61 C +ATOM 4014 CD2 PHE B 159 74.398 20.095 -16.202 1.00 61.27 C +ATOM 4015 CE1 PHE B 159 75.364 19.191 -18.633 1.00 61.86 C +ATOM 4016 CE2 PHE B 159 74.606 18.740 -16.401 1.00 61.73 C +ATOM 4017 CZ PHE B 159 75.093 18.283 -17.621 1.00 61.87 C +ATOM 4018 N THR B 160 71.461 21.915 -16.518 1.00 62.23 N +ATOM 4019 CA THR B 160 70.371 20.959 -16.326 1.00 61.17 C +ATOM 4020 C THR B 160 69.185 21.340 -17.207 1.00 60.77 C +ATOM 4021 O THR B 160 68.516 20.445 -17.741 1.00 61.01 O +ATOM 4022 CB THR B 160 69.921 20.860 -14.814 1.00 60.78 C +ATOM 4023 OG1 THR B 160 69.398 22.116 -14.362 1.00 59.48 O +ATOM 4024 CG2 THR B 160 71.080 20.449 -13.932 1.00 58.97 C +ATOM 4025 N TRP B 161 68.929 22.637 -17.375 1.00 59.54 N +ATOM 4026 CA TRP B 161 67.822 23.065 -18.218 1.00 59.00 C +ATOM 4027 C TRP B 161 68.132 22.836 -19.670 1.00 58.54 C +ATOM 4028 O TRP B 161 67.233 22.755 -20.481 1.00 58.36 O +ATOM 4029 CB TRP B 161 67.523 24.538 -18.022 1.00 59.01 C +ATOM 4030 CG TRP B 161 66.728 24.833 -16.807 1.00 59.58 C +ATOM 4031 CD1 TRP B 161 67.203 25.033 -15.541 1.00 59.70 C +ATOM 4032 CD2 TRP B 161 65.298 24.973 -16.731 1.00 59.58 C +ATOM 4033 NE1 TRP B 161 66.157 25.294 -14.682 1.00 59.93 N +ATOM 4034 CE2 TRP B 161 64.977 25.261 -15.385 1.00 59.50 C +ATOM 4035 CE3 TRP B 161 64.256 24.882 -17.670 1.00 59.55 C +ATOM 4036 CZ2 TRP B 161 63.656 25.460 -14.954 1.00 59.09 C +ATOM 4037 CZ3 TRP B 161 62.944 25.081 -17.239 1.00 59.15 C +ATOM 4038 CH2 TRP B 161 62.658 25.367 -15.891 1.00 58.63 C +ATOM 4039 N VAL B 162 69.405 22.746 -20.007 1.00 58.33 N +ATOM 4040 CA VAL B 162 69.777 22.540 -21.391 1.00 58.39 C +ATOM 4041 C VAL B 162 69.592 21.116 -21.745 1.00 58.20 C +ATOM 4042 O VAL B 162 69.190 20.808 -22.848 1.00 58.48 O +ATOM 4043 CB VAL B 162 71.228 22.891 -21.632 1.00 58.48 C +ATOM 4044 CG1 VAL B 162 71.592 22.581 -23.073 1.00 58.80 C +ATOM 4045 CG2 VAL B 162 71.455 24.352 -21.315 1.00 58.25 C +ATOM 4046 N MET B 163 69.915 20.242 -20.809 1.00 58.22 N +ATOM 4047 CA MET B 163 69.770 18.820 -21.030 1.00 58.32 C +ATOM 4048 C MET B 163 68.302 18.475 -21.000 1.00 58.09 C +ATOM 4049 O MET B 163 67.789 17.866 -21.946 1.00 57.55 O +ATOM 4050 CB MET B 163 70.514 18.068 -19.940 1.00 59.37 C +ATOM 4051 CG MET B 163 71.942 18.512 -19.812 1.00 61.29 C +ATOM 4052 SD MET B 163 72.697 18.501 -21.439 1.00 63.76 S +ATOM 4053 CE MET B 163 73.150 16.725 -21.561 1.00 61.63 C +ATOM 4054 N ALA B 164 67.628 18.872 -19.923 1.00 57.80 N +ATOM 4055 CA ALA B 164 66.207 18.614 -19.767 1.00 57.12 C +ATOM 4056 C ALA B 164 65.489 19.000 -21.032 1.00 57.07 C +ATOM 4057 O ALA B 164 64.724 18.207 -21.555 1.00 57.66 O +ATOM 4058 CB ALA B 164 65.668 19.395 -18.599 1.00 56.94 C +ATOM 4059 N LEU B 165 65.736 20.202 -21.538 1.00 56.64 N +ATOM 4060 CA LEU B 165 65.079 20.641 -22.764 1.00 56.57 C +ATOM 4061 C LEU B 165 65.476 19.768 -23.938 1.00 57.00 C +ATOM 4062 O LEU B 165 64.627 19.422 -24.772 1.00 57.14 O +ATOM 4063 CB LEU B 165 65.424 22.095 -23.083 1.00 56.17 C +ATOM 4064 CG LEU B 165 64.533 23.194 -22.498 1.00 56.12 C +ATOM 4065 CD1 LEU B 165 63.089 22.996 -22.930 1.00 56.19 C +ATOM 4066 CD2 LEU B 165 64.629 23.164 -21.005 1.00 56.80 C +ATOM 4067 N ALA B 166 66.756 19.419 -24.009 1.00 57.06 N +ATOM 4068 CA ALA B 166 67.267 18.590 -25.091 1.00 56.94 C +ATOM 4069 C ALA B 166 66.391 17.376 -25.243 1.00 57.31 C +ATOM 4070 O ALA B 166 66.284 16.832 -26.339 1.00 57.71 O +ATOM 4071 CB ALA B 166 68.692 18.170 -24.796 1.00 56.58 C +ATOM 4072 N CYS B 167 65.766 16.947 -24.152 1.00 57.16 N +ATOM 4073 CA CYS B 167 64.891 15.784 -24.193 1.00 56.50 C +ATOM 4074 C CYS B 167 63.429 16.213 -24.247 1.00 53.96 C +ATOM 4075 O CYS B 167 62.704 15.869 -25.162 1.00 54.85 O +ATOM 4076 CB CYS B 167 65.123 14.914 -22.961 1.00 57.65 C +ATOM 4077 SG CYS B 167 65.001 13.151 -23.339 1.00 65.91 S +ATOM 4078 N ALA B 168 63.003 16.997 -23.280 1.00 50.94 N +ATOM 4079 CA ALA B 168 61.620 17.400 -23.229 1.00 47.82 C +ATOM 4080 C ALA B 168 61.176 18.125 -24.453 1.00 46.75 C +ATOM 4081 O ALA B 168 60.011 18.038 -24.793 1.00 46.22 O +ATOM 4082 CB ALA B 168 61.383 18.271 -22.001 1.00 47.18 C +ATOM 4083 N ALA B 169 62.081 18.795 -25.149 1.00 46.10 N +ATOM 4084 CA ALA B 169 61.660 19.637 -26.267 1.00 45.95 C +ATOM 4085 C ALA B 169 61.474 18.980 -27.645 1.00 45.99 C +ATOM 4086 O ALA B 169 60.486 19.285 -28.338 1.00 46.82 O +ATOM 4087 CB ALA B 169 62.599 20.821 -26.366 1.00 45.44 C +ATOM 4088 N PRO B 170 62.391 18.102 -28.074 1.00 45.14 N +ATOM 4089 CA PRO B 170 62.268 17.451 -29.388 1.00 44.74 C +ATOM 4090 C PRO B 170 60.878 16.957 -29.790 1.00 45.38 C +ATOM 4091 O PRO B 170 60.393 17.297 -30.864 1.00 45.35 O +ATOM 4092 CB PRO B 170 63.283 16.316 -29.302 1.00 44.81 C +ATOM 4093 CG PRO B 170 64.355 16.903 -28.444 1.00 44.48 C +ATOM 4094 CD PRO B 170 63.572 17.604 -27.347 1.00 45.28 C +ATOM 4095 N PRO B 171 60.229 16.142 -28.942 1.00 45.35 N +ATOM 4096 CA PRO B 171 58.895 15.605 -29.225 1.00 44.98 C +ATOM 4097 C PRO B 171 57.894 16.647 -29.613 1.00 45.38 C +ATOM 4098 O PRO B 171 56.836 16.323 -30.140 1.00 46.10 O +ATOM 4099 CB PRO B 171 58.520 14.915 -27.918 1.00 44.99 C +ATOM 4100 CG PRO B 171 59.832 14.405 -27.431 1.00 45.11 C +ATOM 4101 CD PRO B 171 60.735 15.605 -27.662 1.00 46.00 C +ATOM 4102 N LEU B 172 58.218 17.903 -29.361 1.00 45.31 N +ATOM 4103 CA LEU B 172 57.288 18.975 -29.685 1.00 45.50 C +ATOM 4104 C LEU B 172 57.602 19.574 -31.040 1.00 46.13 C +ATOM 4105 O LEU B 172 56.775 20.313 -31.593 1.00 45.47 O +ATOM 4106 CB LEU B 172 57.368 20.080 -28.622 1.00 44.53 C +ATOM 4107 CG LEU B 172 56.989 19.764 -27.172 1.00 43.81 C +ATOM 4108 CD1 LEU B 172 57.693 20.731 -26.258 1.00 43.18 C +ATOM 4109 CD2 LEU B 172 55.482 19.827 -26.989 1.00 42.67 C +ATOM 4110 N VAL B 173 58.774 19.256 -31.587 1.00 46.88 N +ATOM 4111 CA VAL B 173 59.189 19.846 -32.858 1.00 47.45 C +ATOM 4112 C VAL B 173 59.458 18.805 -33.925 1.00 48.22 C +ATOM 4113 O VAL B 173 60.314 18.999 -34.788 1.00 49.12 O +ATOM 4114 CB VAL B 173 60.444 20.688 -32.653 1.00 46.35 C +ATOM 4115 CG1 VAL B 173 60.207 21.696 -31.552 1.00 46.04 C +ATOM 4116 CG2 VAL B 173 61.599 19.793 -32.295 1.00 45.95 C +ATOM 4117 N GLY B 174 58.757 17.687 -33.875 1.00 48.25 N +ATOM 4118 CA GLY B 174 58.973 16.722 -34.918 1.00 47.47 C +ATOM 4119 C GLY B 174 59.863 15.551 -34.622 1.00 47.36 C +ATOM 4120 O GLY B 174 59.955 14.662 -35.444 1.00 48.62 O +ATOM 4121 N TRP B 175 60.562 15.531 -33.502 1.00 46.58 N +ATOM 4122 CA TRP B 175 61.346 14.332 -33.246 1.00 46.60 C +ATOM 4123 C TRP B 175 60.661 13.589 -32.129 1.00 47.06 C +ATOM 4124 O TRP B 175 60.674 14.042 -30.975 1.00 48.05 O +ATOM 4125 CB TRP B 175 62.782 14.644 -32.882 1.00 46.46 C +ATOM 4126 CG TRP B 175 63.608 13.396 -32.860 1.00 46.73 C +ATOM 4127 CD1 TRP B 175 63.265 12.169 -33.377 1.00 47.32 C +ATOM 4128 CD2 TRP B 175 64.919 13.246 -32.305 1.00 46.29 C +ATOM 4129 NE1 TRP B 175 64.288 11.265 -33.172 1.00 47.24 N +ATOM 4130 CE2 TRP B 175 65.314 11.899 -32.518 1.00 46.38 C +ATOM 4131 CE3 TRP B 175 65.802 14.116 -31.647 1.00 45.30 C +ATOM 4132 CZ2 TRP B 175 66.554 11.405 -32.094 1.00 46.30 C +ATOM 4133 CZ3 TRP B 175 67.032 13.624 -31.228 1.00 46.14 C +ATOM 4134 CH2 TRP B 175 67.398 12.277 -31.454 1.00 45.90 C +ATOM 4135 N SER B 176 60.069 12.449 -32.485 1.00 45.75 N +ATOM 4136 CA SER B 176 59.282 11.645 -31.567 1.00 43.44 C +ATOM 4137 C SER B 176 58.023 12.447 -31.282 1.00 42.80 C +ATOM 4138 O SER B 176 57.782 13.472 -31.947 1.00 42.47 O +ATOM 4139 CB SER B 176 60.041 11.371 -30.276 1.00 43.15 C +ATOM 4140 OG SER B 176 59.263 10.551 -29.427 1.00 43.42 O +ATOM 4141 N ARG B 177 57.226 12.016 -30.313 1.00 41.77 N +ATOM 4142 CA ARG B 177 55.994 12.736 -29.999 1.00 41.98 C +ATOM 4143 C ARG B 177 55.429 12.262 -28.666 1.00 42.33 C +ATOM 4144 O ARG B 177 55.776 11.160 -28.217 1.00 42.77 O +ATOM 4145 CB ARG B 177 54.965 12.505 -31.119 1.00 41.59 C +ATOM 4146 CG ARG B 177 54.625 11.036 -31.357 1.00 41.58 C +ATOM 4147 CD ARG B 177 53.617 10.852 -32.479 1.00 41.55 C +ATOM 4148 NE ARG B 177 53.148 9.471 -32.582 1.00 40.92 N +ATOM 4149 CZ ARG B 177 52.185 9.074 -33.409 1.00 41.68 C +ATOM 4150 NH1 ARG B 177 51.589 9.953 -34.211 1.00 42.24 N +ATOM 4151 NH2 ARG B 177 51.803 7.804 -33.424 1.00 41.18 N +ATOM 4152 N TYR B 178 54.592 13.085 -28.029 1.00 41.67 N +ATOM 4153 CA TYR B 178 53.963 12.709 -26.756 1.00 41.45 C +ATOM 4154 C TYR B 178 52.640 12.005 -27.093 1.00 42.14 C +ATOM 4155 O TYR B 178 51.908 12.458 -27.988 1.00 41.47 O +ATOM 4156 CB TYR B 178 53.731 13.950 -25.868 1.00 40.85 C +ATOM 4157 CG TYR B 178 55.008 14.542 -25.279 1.00 40.91 C +ATOM 4158 CD1 TYR B 178 55.777 13.822 -24.364 1.00 41.09 C +ATOM 4159 CD2 TYR B 178 55.481 15.800 -25.681 1.00 40.88 C +ATOM 4160 CE1 TYR B 178 56.987 14.336 -23.867 1.00 41.13 C +ATOM 4161 CE2 TYR B 178 56.699 16.316 -25.185 1.00 39.89 C +ATOM 4162 CZ TYR B 178 57.438 15.576 -24.282 1.00 40.28 C +ATOM 4163 OH TYR B 178 58.628 16.058 -23.790 1.00 41.77 O +ATOM 4164 N ILE B 179 52.338 10.903 -26.408 1.00 42.00 N +ATOM 4165 CA ILE B 179 51.114 10.140 -26.704 1.00 41.90 C +ATOM 4166 C ILE B 179 50.484 9.664 -25.399 1.00 41.68 C +ATOM 4167 O ILE B 179 51.201 9.400 -24.445 1.00 41.72 O +ATOM 4168 CB ILE B 179 51.464 8.925 -27.607 1.00 42.53 C +ATOM 4169 CG1 ILE B 179 50.223 8.402 -28.328 1.00 43.24 C +ATOM 4170 CG2 ILE B 179 52.108 7.823 -26.769 1.00 42.46 C +ATOM 4171 CD1 ILE B 179 50.565 7.362 -29.405 1.00 44.83 C +ATOM 4172 N PRO B 180 49.148 9.574 -25.332 1.00 41.01 N +ATOM 4173 CA PRO B 180 48.602 9.115 -24.048 1.00 40.71 C +ATOM 4174 C PRO B 180 48.990 7.710 -23.661 1.00 41.00 C +ATOM 4175 O PRO B 180 49.196 6.891 -24.560 1.00 41.64 O +ATOM 4176 CB PRO B 180 47.085 9.309 -24.210 1.00 40.70 C +ATOM 4177 CG PRO B 180 46.882 9.666 -25.678 1.00 41.08 C +ATOM 4178 CD PRO B 180 48.140 10.303 -26.118 1.00 40.43 C +ATOM 4179 N GLU B 181 49.111 7.440 -22.348 1.00 41.26 N +ATOM 4180 CA GLU B 181 49.481 6.111 -21.850 1.00 40.89 C +ATOM 4181 C GLU B 181 48.480 5.573 -20.839 1.00 40.44 C +ATOM 4182 O GLU B 181 47.718 6.337 -20.239 1.00 41.16 O +ATOM 4183 CB GLU B 181 50.849 6.151 -21.170 1.00 42.37 C +ATOM 4184 CG GLU B 181 51.968 6.837 -21.941 1.00 45.29 C +ATOM 4185 CD GLU B 181 53.348 6.533 -21.352 1.00 46.84 C +ATOM 4186 OE1 GLU B 181 53.803 5.376 -21.490 1.00 46.69 O +ATOM 4187 OE2 GLU B 181 53.973 7.441 -20.749 1.00 48.24 O +ATOM 4188 N GLY B 182 48.511 4.255 -20.651 1.00 39.20 N +ATOM 4189 CA GLY B 182 47.647 3.598 -19.689 1.00 38.63 C +ATOM 4190 C GLY B 182 46.174 3.829 -19.871 1.00 39.03 C +ATOM 4191 O GLY B 182 45.605 3.384 -20.852 1.00 40.62 O +ATOM 4192 N MET B 183 45.545 4.499 -18.913 1.00 39.32 N +ATOM 4193 CA MET B 183 44.121 4.790 -19.014 1.00 39.56 C +ATOM 4194 C MET B 183 43.926 6.007 -19.887 1.00 39.78 C +ATOM 4195 O MET B 183 42.836 6.561 -19.954 1.00 38.85 O +ATOM 4196 CB MET B 183 43.522 5.014 -17.632 1.00 39.27 C +ATOM 4197 CG MET B 183 43.300 3.725 -16.867 1.00 39.92 C +ATOM 4198 SD MET B 183 42.885 3.984 -15.132 1.00 41.91 S +ATOM 4199 CE MET B 183 44.223 3.182 -14.389 1.00 41.24 C +ATOM 4200 N GLN B 184 45.014 6.405 -20.543 1.00 41.25 N +ATOM 4201 CA GLN B 184 45.054 7.522 -21.484 1.00 42.23 C +ATOM 4202 C GLN B 184 44.820 8.846 -20.795 1.00 43.45 C +ATOM 4203 O GLN B 184 44.293 9.778 -21.414 1.00 43.82 O +ATOM 4204 CB GLN B 184 44.018 7.292 -22.588 1.00 41.47 C +ATOM 4205 CG GLN B 184 44.034 5.881 -23.157 1.00 39.79 C +ATOM 4206 CD GLN B 184 45.242 5.604 -24.014 1.00 39.93 C +ATOM 4207 OE1 GLN B 184 45.420 6.221 -25.036 1.00 41.05 O +ATOM 4208 NE2 GLN B 184 46.075 4.666 -23.593 1.00 39.70 N +ATOM 4209 N CYS B 185 45.219 8.946 -19.531 1.00 44.64 N +ATOM 4210 CA CYS B 185 45.032 10.188 -18.788 1.00 45.43 C +ATOM 4211 C CYS B 185 46.327 10.908 -18.578 1.00 44.21 C +ATOM 4212 O CYS B 185 46.322 12.005 -18.055 1.00 44.39 O +ATOM 4213 CB CYS B 185 44.349 9.923 -17.449 1.00 47.78 C +ATOM 4214 SG CYS B 185 42.553 9.633 -17.651 1.00 54.55 S +ATOM 4215 N SER B 186 47.429 10.285 -18.968 1.00 42.16 N +ATOM 4216 CA SER B 186 48.746 10.892 -18.878 1.00 40.81 C +ATOM 4217 C SER B 186 49.349 10.758 -20.253 1.00 40.78 C +ATOM 4218 O SER B 186 48.860 9.942 -21.025 1.00 40.26 O +ATOM 4219 CB SER B 186 49.619 10.175 -17.832 1.00 39.37 C +ATOM 4220 OG SER B 186 49.756 8.782 -18.093 1.00 39.11 O +ATOM 4221 N CYS B 187 50.375 11.545 -20.572 1.00 41.04 N +ATOM 4222 CA CYS B 187 51.040 11.474 -21.880 1.00 41.35 C +ATOM 4223 C CYS B 187 52.535 11.255 -21.716 1.00 41.21 C +ATOM 4224 O CYS B 187 53.141 11.811 -20.802 1.00 41.20 O +ATOM 4225 CB CYS B 187 50.760 12.756 -22.690 1.00 41.62 C +ATOM 4226 SG CYS B 187 49.233 12.555 -23.664 1.00 44.52 S +ATOM 4227 N GLY B 188 53.125 10.441 -22.587 1.00 41.11 N +ATOM 4228 CA GLY B 188 54.560 10.177 -22.512 1.00 41.46 C +ATOM 4229 C GLY B 188 55.218 10.060 -23.882 1.00 42.01 C +ATOM 4230 O GLY B 188 54.560 10.278 -24.904 1.00 41.83 O +ATOM 4231 N ILE B 189 56.526 9.795 -23.906 1.00 42.41 N +ATOM 4232 CA ILE B 189 57.250 9.637 -25.166 1.00 42.72 C +ATOM 4233 C ILE B 189 56.667 8.437 -25.890 1.00 44.23 C +ATOM 4234 O ILE B 189 56.233 7.494 -25.215 1.00 44.51 O +ATOM 4235 CB ILE B 189 58.740 9.432 -24.893 1.00 42.40 C +ATOM 4236 CG1 ILE B 189 59.359 10.765 -24.493 1.00 42.49 C +ATOM 4237 CG2 ILE B 189 59.424 8.841 -26.092 1.00 42.12 C +ATOM 4238 CD1 ILE B 189 59.071 11.894 -25.481 1.00 42.58 C +ATOM 4239 N ASP B 190 56.641 8.455 -27.228 1.00 45.02 N +ATOM 4240 CA ASP B 190 56.043 7.355 -28.019 1.00 45.47 C +ATOM 4241 C ASP B 190 56.890 6.060 -28.028 1.00 45.99 C +ATOM 4242 O ASP B 190 57.765 5.932 -28.888 1.00 46.95 O +ATOM 4243 CB ASP B 190 55.814 7.816 -29.467 1.00 44.58 C +ATOM 4244 CG ASP B 190 54.762 6.988 -30.181 1.00 44.18 C +ATOM 4245 OD1 ASP B 190 54.467 5.876 -29.703 1.00 44.74 O +ATOM 4246 OD2 ASP B 190 54.234 7.443 -31.222 1.00 44.55 O +ATOM 4247 N TYR B 191 56.625 5.119 -27.111 1.00 45.97 N +ATOM 4248 CA TYR B 191 57.359 3.847 -27.049 1.00 46.19 C +ATOM 4249 C TYR B 191 56.576 2.822 -27.828 1.00 47.13 C +ATOM 4250 O TYR B 191 57.096 1.788 -28.248 1.00 48.67 O +ATOM 4251 CB TYR B 191 57.448 3.323 -25.612 1.00 45.34 C +ATOM 4252 CG TYR B 191 57.689 4.372 -24.562 1.00 45.77 C +ATOM 4253 CD1 TYR B 191 58.863 5.132 -24.557 1.00 46.16 C +ATOM 4254 CD2 TYR B 191 56.732 4.637 -23.584 1.00 44.90 C +ATOM 4255 CE1 TYR B 191 59.072 6.140 -23.597 1.00 45.85 C +ATOM 4256 CE2 TYR B 191 56.935 5.645 -22.624 1.00 45.54 C +ATOM 4257 CZ TYR B 191 58.103 6.391 -22.642 1.00 44.99 C +ATOM 4258 OH TYR B 191 58.284 7.407 -21.743 1.00 45.89 O +ATOM 4259 N TYR B 192 55.312 3.142 -28.026 1.00 47.41 N +ATOM 4260 CA TYR B 192 54.363 2.250 -28.662 1.00 47.59 C +ATOM 4261 C TYR B 192 54.575 1.977 -30.144 1.00 48.19 C +ATOM 4262 O TYR B 192 54.751 0.812 -30.506 1.00 48.39 O +ATOM 4263 CB TYR B 192 52.953 2.785 -28.374 1.00 46.11 C +ATOM 4264 CG TYR B 192 52.781 3.013 -26.888 1.00 45.01 C +ATOM 4265 CD1 TYR B 192 53.216 4.199 -26.290 1.00 44.08 C +ATOM 4266 CD2 TYR B 192 52.278 1.998 -26.056 1.00 44.35 C +ATOM 4267 CE1 TYR B 192 53.158 4.368 -24.900 1.00 43.31 C +ATOM 4268 CE2 TYR B 192 52.220 2.160 -24.670 1.00 42.60 C +ATOM 4269 CZ TYR B 192 52.661 3.346 -24.106 1.00 42.28 C +ATOM 4270 OH TYR B 192 52.614 3.510 -22.749 1.00 40.84 O +ATOM 4271 N THR B 193 54.573 3.008 -30.982 1.00 48.24 N +ATOM 4272 CA THR B 193 54.682 2.821 -32.424 1.00 49.27 C +ATOM 4273 C THR B 193 56.014 3.264 -33.014 1.00 50.74 C +ATOM 4274 O THR B 193 56.761 4.037 -32.404 1.00 51.27 O +ATOM 4275 CB THR B 193 53.592 3.620 -33.138 1.00 48.83 C +ATOM 4276 OG1 THR B 193 53.880 5.016 -33.009 1.00 49.25 O +ATOM 4277 CG2 THR B 193 52.245 3.364 -32.509 1.00 49.14 C +ATOM 4278 N PRO B 194 56.336 2.754 -34.217 1.00 52.11 N +ATOM 4279 CA PRO B 194 57.583 3.127 -34.889 1.00 52.67 C +ATOM 4280 C PRO B 194 57.375 4.473 -35.617 1.00 53.38 C +ATOM 4281 O PRO B 194 58.339 5.190 -35.820 1.00 53.86 O +ATOM 4282 CB PRO B 194 57.806 1.973 -35.872 1.00 52.58 C +ATOM 4283 CG PRO B 194 57.042 0.822 -35.263 1.00 52.54 C +ATOM 4284 CD PRO B 194 55.795 1.508 -34.794 1.00 52.34 C +ATOM 4285 N HIS B 195 56.127 4.801 -35.974 1.00 53.47 N +ATOM 4286 CA HIS B 195 55.796 6.039 -36.693 1.00 53.72 C +ATOM 4287 C HIS B 195 57.064 6.620 -37.266 1.00 54.36 C +ATOM 4288 O HIS B 195 57.593 7.575 -36.717 1.00 54.38 O +ATOM 4289 CB HIS B 195 55.119 7.078 -35.768 1.00 53.18 C +ATOM 4290 CG HIS B 195 54.347 8.156 -36.496 1.00 53.59 C +ATOM 4291 ND1 HIS B 195 54.585 9.504 -36.309 1.00 54.30 N +ATOM 4292 CD2 HIS B 195 53.304 8.081 -37.362 1.00 54.32 C +ATOM 4293 CE1 HIS B 195 53.723 10.208 -37.023 1.00 53.66 C +ATOM 4294 NE2 HIS B 195 52.934 9.370 -37.671 1.00 53.30 N +ATOM 4295 N GLU B 196 57.572 6.011 -38.339 1.00 55.10 N +ATOM 4296 CA GLU B 196 58.789 6.491 -39.008 1.00 55.73 C +ATOM 4297 C GLU B 196 58.537 7.934 -39.408 1.00 56.20 C +ATOM 4298 O GLU B 196 59.456 8.746 -39.443 1.00 56.25 O +ATOM 4299 CB GLU B 196 59.095 5.642 -40.262 1.00 55.58 C +ATOM 4300 CG GLU B 196 59.437 4.172 -39.983 1.00 56.49 C +ATOM 4301 CD GLU B 196 59.219 3.267 -41.193 1.00 56.71 C +ATOM 4302 OE1 GLU B 196 59.577 3.679 -42.313 1.00 58.13 O +ATOM 4303 OE2 GLU B 196 58.699 2.139 -41.028 1.00 57.05 O +ATOM 4304 N GLU B 197 57.269 8.232 -39.682 1.00 56.56 N +ATOM 4305 CA GLU B 197 56.813 9.551 -40.086 1.00 57.50 C +ATOM 4306 C GLU B 197 57.378 10.582 -39.133 1.00 56.71 C +ATOM 4307 O GLU B 197 57.353 11.752 -39.450 1.00 57.60 O +ATOM 4308 CB GLU B 197 55.262 9.586 -40.064 1.00 60.98 C +ATOM 4309 CG GLU B 197 54.571 10.885 -40.574 1.00 66.23 C +ATOM 4310 CD GLU B 197 53.068 10.998 -40.157 1.00 70.37 C +ATOM 4311 OE1 GLU B 197 52.292 10.021 -40.347 1.00 71.94 O +ATOM 4312 OE2 GLU B 197 52.660 12.074 -39.642 1.00 72.00 O +ATOM 4313 N THR B 198 57.906 10.155 -37.986 1.00 55.69 N +ATOM 4314 CA THR B 198 58.413 11.103 -36.998 1.00 53.01 C +ATOM 4315 C THR B 198 59.633 10.564 -36.257 1.00 53.03 C +ATOM 4316 O THR B 198 60.024 11.125 -35.237 1.00 52.47 O +ATOM 4317 CB THR B 198 57.294 11.444 -36.001 1.00 51.88 C +ATOM 4318 OG1 THR B 198 57.607 12.668 -35.357 1.00 51.67 O +ATOM 4319 CG2 THR B 198 57.146 10.372 -34.951 1.00 50.77 C +ATOM 4320 N ASN B 199 60.216 9.486 -36.779 1.00 53.87 N +ATOM 4321 CA ASN B 199 61.407 8.848 -36.213 1.00 54.47 C +ATOM 4322 C ASN B 199 61.273 8.587 -34.774 1.00 54.69 C +ATOM 4323 O ASN B 199 62.021 9.174 -34.001 1.00 55.13 O +ATOM 4324 CB ASN B 199 62.635 9.719 -36.384 1.00 55.49 C +ATOM 4325 CG ASN B 199 63.182 9.654 -37.763 1.00 57.00 C +ATOM 4326 OD1 ASN B 199 63.118 10.631 -38.514 1.00 57.95 O +ATOM 4327 ND2 ASN B 199 63.724 8.485 -38.129 1.00 57.43 N +ATOM 4328 N ASN B 200 60.363 7.705 -34.392 1.00 55.07 N +ATOM 4329 CA ASN B 200 60.177 7.403 -32.982 1.00 55.30 C +ATOM 4330 C ASN B 200 61.340 6.577 -32.462 1.00 55.52 C +ATOM 4331 O ASN B 200 62.039 7.001 -31.533 1.00 56.16 O +ATOM 4332 CB ASN B 200 58.855 6.637 -32.749 1.00 55.49 C +ATOM 4333 CG ASN B 200 57.615 7.522 -32.890 1.00 55.50 C +ATOM 4334 OD1 ASN B 200 57.706 8.751 -32.945 1.00 55.71 O +ATOM 4335 ND2 ASN B 200 56.447 6.891 -32.934 1.00 55.16 N +ATOM 4336 N GLU B 201 61.555 5.416 -33.074 1.00 55.25 N +ATOM 4337 CA GLU B 201 62.589 4.473 -32.650 1.00 54.22 C +ATOM 4338 C GLU B 201 63.953 5.129 -32.365 1.00 53.87 C +ATOM 4339 O GLU B 201 64.659 4.708 -31.446 1.00 53.67 O +ATOM 4340 CB GLU B 201 62.691 3.361 -33.696 1.00 53.12 C +ATOM 4341 CG GLU B 201 61.335 2.690 -34.007 1.00 52.36 C +ATOM 4342 CD GLU B 201 61.083 1.386 -33.229 1.00 51.69 C +ATOM 4343 OE1 GLU B 201 62.067 0.681 -32.912 1.00 50.59 O +ATOM 4344 OE2 GLU B 201 59.900 1.051 -32.962 1.00 51.79 O +ATOM 4345 N SER B 202 64.320 6.154 -33.121 1.00 54.06 N +ATOM 4346 CA SER B 202 65.601 6.805 -32.893 1.00 54.45 C +ATOM 4347 C SER B 202 65.572 7.627 -31.622 1.00 54.24 C +ATOM 4348 O SER B 202 66.455 7.462 -30.801 1.00 55.20 O +ATOM 4349 CB SER B 202 65.990 7.697 -34.084 1.00 54.72 C +ATOM 4350 OG SER B 202 65.067 8.755 -34.308 1.00 56.56 O +ATOM 4351 N PHE B 203 64.573 8.487 -31.437 1.00 53.63 N +ATOM 4352 CA PHE B 203 64.529 9.317 -30.240 1.00 53.09 C +ATOM 4353 C PHE B 203 64.525 8.493 -28.976 1.00 52.85 C +ATOM 4354 O PHE B 203 65.101 8.903 -27.976 1.00 52.57 O +ATOM 4355 CB PHE B 203 63.296 10.205 -30.222 1.00 53.50 C +ATOM 4356 CG PHE B 203 63.273 11.150 -29.056 1.00 55.17 C +ATOM 4357 CD1 PHE B 203 63.845 12.418 -29.157 1.00 55.83 C +ATOM 4358 CD2 PHE B 203 62.756 10.751 -27.833 1.00 55.16 C +ATOM 4359 CE1 PHE B 203 63.906 13.269 -28.056 1.00 55.93 C +ATOM 4360 CE2 PHE B 203 62.818 11.593 -26.731 1.00 55.83 C +ATOM 4361 CZ PHE B 203 63.394 12.853 -26.842 1.00 55.62 C +ATOM 4362 N VAL B 204 63.871 7.343 -29.013 1.00 52.81 N +ATOM 4363 CA VAL B 204 63.770 6.486 -27.839 1.00 52.83 C +ATOM 4364 C VAL B 204 65.125 5.942 -27.408 1.00 54.12 C +ATOM 4365 O VAL B 204 65.394 5.864 -26.222 1.00 54.36 O +ATOM 4366 CB VAL B 204 62.773 5.323 -28.103 1.00 51.93 C +ATOM 4367 CG1 VAL B 204 62.866 4.289 -26.994 1.00 50.81 C +ATOM 4368 CG2 VAL B 204 61.351 5.876 -28.219 1.00 49.19 C +ATOM 4369 N ILE B 205 65.974 5.564 -28.354 1.00 55.84 N +ATOM 4370 CA ILE B 205 67.295 5.036 -28.017 1.00 57.29 C +ATOM 4371 C ILE B 205 68.164 6.180 -27.504 1.00 58.38 C +ATOM 4372 O ILE B 205 69.027 6.000 -26.636 1.00 58.47 O +ATOM 4373 CB ILE B 205 67.931 4.399 -29.263 1.00 57.11 C +ATOM 4374 CG1 ILE B 205 66.988 3.323 -29.804 1.00 57.23 C +ATOM 4375 CG2 ILE B 205 69.285 3.803 -28.921 1.00 57.03 C +ATOM 4376 CD1 ILE B 205 67.406 2.733 -31.115 1.00 58.37 C +ATOM 4377 N TYR B 206 67.894 7.361 -28.044 1.00 59.96 N +ATOM 4378 CA TYR B 206 68.591 8.606 -27.711 1.00 61.58 C +ATOM 4379 C TYR B 206 68.330 8.956 -26.283 1.00 61.85 C +ATOM 4380 O TYR B 206 69.239 9.371 -25.570 1.00 62.45 O +ATOM 4381 CB TYR B 206 68.068 9.740 -28.600 1.00 63.37 C +ATOM 4382 CG TYR B 206 68.112 11.131 -27.984 1.00 64.83 C +ATOM 4383 CD1 TYR B 206 69.312 11.836 -27.887 1.00 65.38 C +ATOM 4384 CD2 TYR B 206 66.935 11.769 -27.555 1.00 65.44 C +ATOM 4385 CE1 TYR B 206 69.344 13.145 -27.392 1.00 65.55 C +ATOM 4386 CE2 TYR B 206 66.952 13.073 -27.058 1.00 65.80 C +ATOM 4387 CZ TYR B 206 68.163 13.759 -26.984 1.00 65.50 C +ATOM 4388 OH TYR B 206 68.205 15.060 -26.530 1.00 64.87 O +ATOM 4389 N MET B 207 67.073 8.793 -25.879 1.00 61.95 N +ATOM 4390 CA MET B 207 66.634 9.117 -24.534 1.00 61.84 C +ATOM 4391 C MET B 207 67.063 8.068 -23.519 1.00 61.43 C +ATOM 4392 O MET B 207 67.325 8.434 -22.385 1.00 62.94 O +ATOM 4393 CB MET B 207 65.113 9.286 -24.513 1.00 62.60 C +ATOM 4394 CG MET B 207 64.540 9.597 -23.145 1.00 63.64 C +ATOM 4395 SD MET B 207 62.752 9.390 -23.092 1.00 66.45 S +ATOM 4396 CE MET B 207 62.594 7.582 -22.928 1.00 64.28 C +ATOM 4397 N PHE B 208 67.145 6.792 -23.889 1.00 60.77 N +ATOM 4398 CA PHE B 208 67.554 5.789 -22.912 1.00 59.98 C +ATOM 4399 C PHE B 208 69.054 5.717 -22.773 1.00 59.92 C +ATOM 4400 O PHE B 208 69.533 5.113 -21.825 1.00 60.03 O +ATOM 4401 CB PHE B 208 67.002 4.421 -23.272 1.00 59.97 C +ATOM 4402 CG PHE B 208 65.670 4.137 -22.649 1.00 61.31 C +ATOM 4403 CD1 PHE B 208 65.551 3.973 -21.272 1.00 62.14 C +ATOM 4404 CD2 PHE B 208 64.529 4.029 -23.430 1.00 62.02 C +ATOM 4405 CE1 PHE B 208 64.315 3.704 -20.682 1.00 62.09 C +ATOM 4406 CE2 PHE B 208 63.295 3.762 -22.853 1.00 61.83 C +ATOM 4407 CZ PHE B 208 63.189 3.598 -21.474 1.00 62.24 C +ATOM 4408 N VAL B 209 69.795 6.330 -23.694 1.00 59.83 N +ATOM 4409 CA VAL B 209 71.257 6.321 -23.612 1.00 59.15 C +ATOM 4410 C VAL B 209 71.780 7.658 -23.063 1.00 58.79 C +ATOM 4411 O VAL B 209 72.434 7.673 -22.020 1.00 58.77 O +ATOM 4412 CB VAL B 209 71.893 6.034 -24.989 1.00 58.35 C +ATOM 4413 CG1 VAL B 209 73.389 6.049 -24.858 1.00 57.45 C +ATOM 4414 CG2 VAL B 209 71.433 4.682 -25.516 1.00 56.68 C +ATOM 4415 N VAL B 210 71.478 8.761 -23.744 1.00 57.75 N +ATOM 4416 CA VAL B 210 71.917 10.090 -23.314 1.00 57.31 C +ATOM 4417 C VAL B 210 71.272 10.525 -22.007 1.00 57.12 C +ATOM 4418 O VAL B 210 71.983 10.862 -21.064 1.00 57.43 O +ATOM 4419 CB VAL B 210 71.568 11.179 -24.358 1.00 57.40 C +ATOM 4420 CG1 VAL B 210 71.879 12.556 -23.803 1.00 56.44 C +ATOM 4421 CG2 VAL B 210 72.341 10.947 -25.631 1.00 57.45 C +ATOM 4422 N HIS B 211 69.940 10.509 -21.953 1.00 56.59 N +ATOM 4423 CA HIS B 211 69.188 10.977 -20.788 1.00 56.00 C +ATOM 4424 C HIS B 211 68.738 9.906 -19.806 1.00 54.36 C +ATOM 4425 O HIS B 211 67.683 10.056 -19.197 1.00 53.47 O +ATOM 4426 CB HIS B 211 67.982 11.770 -21.269 1.00 58.05 C +ATOM 4427 CG HIS B 211 68.338 12.915 -22.168 1.00 60.75 C +ATOM 4428 ND1 HIS B 211 69.043 14.015 -21.732 1.00 61.69 N +ATOM 4429 CD2 HIS B 211 68.068 13.138 -23.476 1.00 62.27 C +ATOM 4430 CE1 HIS B 211 69.187 14.870 -22.729 1.00 62.20 C +ATOM 4431 NE2 HIS B 211 68.603 14.363 -23.799 1.00 62.22 N +ATOM 4432 N PHE B 212 69.517 8.850 -19.629 1.00 53.41 N +ATOM 4433 CA PHE B 212 69.162 7.829 -18.658 1.00 53.33 C +ATOM 4434 C PHE B 212 70.365 7.000 -18.328 1.00 53.83 C +ATOM 4435 O PHE B 212 70.907 7.123 -17.236 1.00 54.92 O +ATOM 4436 CB PHE B 212 68.028 6.926 -19.159 1.00 53.14 C +ATOM 4437 CG PHE B 212 67.665 5.806 -18.199 1.00 53.41 C +ATOM 4438 CD1 PHE B 212 67.315 6.079 -16.880 1.00 54.25 C +ATOM 4439 CD2 PHE B 212 67.680 4.476 -18.617 1.00 53.69 C +ATOM 4440 CE1 PHE B 212 66.982 5.051 -15.983 1.00 54.30 C +ATOM 4441 CE2 PHE B 212 67.352 3.431 -17.734 1.00 53.80 C +ATOM 4442 CZ PHE B 212 67.002 3.722 -16.413 1.00 54.24 C +ATOM 4443 N ILE B 213 70.795 6.146 -19.239 1.00 53.91 N +ATOM 4444 CA ILE B 213 71.925 5.297 -18.924 1.00 53.96 C +ATOM 4445 C ILE B 213 73.180 6.089 -18.587 1.00 54.09 C +ATOM 4446 O ILE B 213 73.845 5.749 -17.623 1.00 54.10 O +ATOM 4447 CB ILE B 213 72.209 4.318 -20.065 1.00 54.54 C +ATOM 4448 CG1 ILE B 213 70.969 3.458 -20.342 1.00 55.02 C +ATOM 4449 CG2 ILE B 213 73.322 3.391 -19.649 1.00 55.92 C +ATOM 4450 CD1 ILE B 213 71.043 2.631 -21.620 1.00 55.20 C +ATOM 4451 N ILE B 214 73.499 7.141 -19.331 1.00 54.53 N +ATOM 4452 CA ILE B 214 74.720 7.894 -19.046 1.00 55.38 C +ATOM 4453 C ILE B 214 74.693 8.541 -17.667 1.00 56.44 C +ATOM 4454 O ILE B 214 75.492 8.168 -16.801 1.00 57.15 O +ATOM 4455 CB ILE B 214 74.996 9.014 -20.104 1.00 55.27 C +ATOM 4456 CG1 ILE B 214 75.195 8.412 -21.497 1.00 55.89 C +ATOM 4457 CG2 ILE B 214 76.249 9.796 -19.717 1.00 54.48 C +ATOM 4458 CD1 ILE B 214 75.533 9.432 -22.584 1.00 54.64 C +ATOM 4459 N PRO B 215 73.784 9.511 -17.440 1.00 56.60 N +ATOM 4460 CA PRO B 215 73.733 10.171 -16.135 1.00 56.50 C +ATOM 4461 C PRO B 215 73.789 9.226 -14.972 1.00 57.11 C +ATOM 4462 O PRO B 215 74.440 9.525 -13.979 1.00 57.77 O +ATOM 4463 CB PRO B 215 72.429 10.964 -16.199 1.00 56.47 C +ATOM 4464 CG PRO B 215 72.331 11.328 -17.656 1.00 56.65 C +ATOM 4465 CD PRO B 215 72.699 10.002 -18.313 1.00 57.15 C +ATOM 4466 N LEU B 216 73.123 8.089 -15.082 1.00 57.74 N +ATOM 4467 CA LEU B 216 73.145 7.139 -13.989 1.00 59.26 C +ATOM 4468 C LEU B 216 74.542 6.614 -13.796 1.00 60.73 C +ATOM 4469 O LEU B 216 74.953 6.383 -12.659 1.00 61.82 O +ATOM 4470 CB LEU B 216 72.173 5.987 -14.248 1.00 58.18 C +ATOM 4471 CG LEU B 216 70.810 6.272 -13.629 1.00 56.74 C +ATOM 4472 CD1 LEU B 216 70.977 6.424 -12.132 1.00 56.54 C +ATOM 4473 CD2 LEU B 216 70.232 7.543 -14.209 1.00 56.79 C +ATOM 4474 N ILE B 217 75.273 6.431 -14.892 1.00 61.80 N +ATOM 4475 CA ILE B 217 76.648 5.928 -14.825 1.00 62.38 C +ATOM 4476 C ILE B 217 77.505 6.915 -14.032 1.00 62.97 C +ATOM 4477 O ILE B 217 78.138 6.527 -13.039 1.00 63.04 O +ATOM 4478 CB ILE B 217 77.250 5.737 -16.258 1.00 61.68 C +ATOM 4479 CG1 ILE B 217 76.554 4.584 -16.983 1.00 60.39 C +ATOM 4480 CG2 ILE B 217 78.727 5.421 -16.169 1.00 61.30 C +ATOM 4481 CD1 ILE B 217 77.043 4.392 -18.390 1.00 58.98 C +ATOM 4482 N VAL B 218 77.512 8.174 -14.468 1.00 63.09 N +ATOM 4483 CA VAL B 218 78.264 9.230 -13.804 1.00 63.52 C +ATOM 4484 C VAL B 218 78.000 9.198 -12.331 1.00 64.24 C +ATOM 4485 O VAL B 218 78.889 8.955 -11.534 1.00 64.62 O +ATOM 4486 CB VAL B 218 77.820 10.604 -14.280 1.00 63.80 C +ATOM 4487 CG1 VAL B 218 78.381 11.673 -13.346 1.00 64.10 C +ATOM 4488 CG2 VAL B 218 78.254 10.820 -15.721 1.00 64.07 C +ATOM 4489 N ILE B 219 76.755 9.475 -11.984 1.00 64.98 N +ATOM 4490 CA ILE B 219 76.310 9.505 -10.608 1.00 65.80 C +ATOM 4491 C ILE B 219 76.764 8.263 -9.872 1.00 66.71 C +ATOM 4492 O ILE B 219 77.335 8.366 -8.793 1.00 66.24 O +ATOM 4493 CB ILE B 219 74.781 9.646 -10.583 1.00 65.29 C +ATOM 4494 CG1 ILE B 219 74.403 10.992 -11.220 1.00 65.17 C +ATOM 4495 CG2 ILE B 219 74.266 9.520 -9.169 1.00 64.07 C +ATOM 4496 CD1 ILE B 219 72.954 11.155 -11.551 1.00 64.41 C +ATOM 4497 N PHE B 220 76.525 7.098 -10.454 1.00 68.34 N +ATOM 4498 CA PHE B 220 76.926 5.850 -9.822 1.00 70.32 C +ATOM 4499 C PHE B 220 78.413 5.762 -9.699 1.00 72.37 C +ATOM 4500 O PHE B 220 78.936 5.226 -8.712 1.00 72.92 O +ATOM 4501 CB PHE B 220 76.441 4.681 -10.640 1.00 69.88 C +ATOM 4502 CG PHE B 220 75.114 4.197 -10.227 1.00 70.47 C +ATOM 4503 CD1 PHE B 220 74.964 3.530 -9.020 1.00 70.20 C +ATOM 4504 CD2 PHE B 220 74.005 4.414 -11.034 1.00 70.67 C +ATOM 4505 CE1 PHE B 220 73.728 3.083 -8.620 1.00 70.73 C +ATOM 4506 CE2 PHE B 220 72.761 3.973 -10.649 1.00 70.76 C +ATOM 4507 CZ PHE B 220 72.615 3.303 -9.437 1.00 71.19 C +ATOM 4508 N PHE B 221 79.102 6.261 -10.714 1.00 73.79 N +ATOM 4509 CA PHE B 221 80.549 6.248 -10.718 1.00 75.20 C +ATOM 4510 C PHE B 221 81.059 7.136 -9.602 1.00 75.45 C +ATOM 4511 O PHE B 221 81.713 6.656 -8.686 1.00 75.13 O +ATOM 4512 CB PHE B 221 81.062 6.747 -12.067 1.00 76.50 C +ATOM 4513 CG PHE B 221 82.537 6.977 -12.096 1.00 77.61 C +ATOM 4514 CD1 PHE B 221 83.095 8.090 -11.456 1.00 78.42 C +ATOM 4515 CD2 PHE B 221 83.379 6.056 -12.714 1.00 78.37 C +ATOM 4516 CE1 PHE B 221 84.467 8.282 -11.422 1.00 79.12 C +ATOM 4517 CE2 PHE B 221 84.752 6.232 -12.690 1.00 79.35 C +ATOM 4518 CZ PHE B 221 85.302 7.351 -12.038 1.00 79.52 C +ATOM 4519 N CYS B 222 80.768 8.427 -9.699 1.00 76.00 N +ATOM 4520 CA CYS B 222 81.195 9.391 -8.703 1.00 76.83 C +ATOM 4521 C CYS B 222 80.815 8.895 -7.336 1.00 76.87 C +ATOM 4522 O CYS B 222 81.458 9.243 -6.353 1.00 76.82 O +ATOM 4523 CB CYS B 222 80.539 10.744 -8.977 1.00 77.84 C +ATOM 4524 SG CYS B 222 80.401 11.795 -7.515 1.00 78.98 S +ATOM 4525 N TYR B 223 79.766 8.090 -7.263 1.00 77.30 N +ATOM 4526 CA TYR B 223 79.365 7.560 -5.979 1.00 78.13 C +ATOM 4527 C TYR B 223 80.386 6.557 -5.556 1.00 79.71 C +ATOM 4528 O TYR B 223 80.466 6.219 -4.386 1.00 79.91 O +ATOM 4529 CB TYR B 223 78.019 6.869 -6.058 1.00 77.06 C +ATOM 4530 CG TYR B 223 77.760 6.058 -4.823 1.00 76.08 C +ATOM 4531 CD1 TYR B 223 77.448 6.675 -3.616 1.00 76.11 C +ATOM 4532 CD2 TYR B 223 77.875 4.673 -4.846 1.00 75.98 C +ATOM 4533 CE1 TYR B 223 77.255 5.929 -2.456 1.00 76.41 C +ATOM 4534 CE2 TYR B 223 77.686 3.914 -3.697 1.00 76.33 C +ATOM 4535 CZ TYR B 223 77.373 4.543 -2.503 1.00 76.58 C +ATOM 4536 OH TYR B 223 77.168 3.782 -1.366 1.00 76.14 O +ATOM 4537 N GLY B 224 81.148 6.056 -6.520 1.00 81.56 N +ATOM 4538 CA GLY B 224 82.189 5.090 -6.219 1.00 84.32 C +ATOM 4539 C GLY B 224 83.431 5.797 -5.701 1.00 86.21 C +ATOM 4540 O GLY B 224 84.151 5.276 -4.851 1.00 86.22 O +ATOM 4541 N GLN B 225 83.679 6.998 -6.217 1.00 88.04 N +ATOM 4542 CA GLN B 225 84.827 7.803 -5.810 1.00 89.67 C +ATOM 4543 C GLN B 225 84.726 8.139 -4.339 1.00 91.17 C +ATOM 4544 O GLN B 225 85.691 7.941 -3.597 1.00 91.73 O +ATOM 4545 CB GLN B 225 84.886 9.088 -6.635 1.00 89.55 C +ATOM 4546 CG GLN B 225 85.069 8.823 -8.112 1.00 89.79 C +ATOM 4547 CD GLN B 225 86.249 7.900 -8.380 1.00 90.28 C +ATOM 4548 OE1 GLN B 225 87.410 8.302 -8.267 1.00 90.07 O +ATOM 4549 NE2 GLN B 225 85.953 6.648 -8.720 1.00 89.82 N +ATOM 4550 N LEU B 226 83.569 8.639 -3.914 1.00 92.56 N +ATOM 4551 CA LEU B 226 83.362 8.989 -2.512 1.00 93.91 C +ATOM 4552 C LEU B 226 82.942 7.752 -1.706 1.00 94.84 C +ATOM 4553 O LEU B 226 82.111 7.856 -0.793 1.00 94.77 O +ATOM 4554 CB LEU B 226 82.310 10.099 -2.399 1.00 93.77 C +ATOM 4555 CG LEU B 226 82.709 11.451 -3.006 1.00 93.89 C +ATOM 4556 CD1 LEU B 226 83.008 11.316 -4.496 1.00 93.52 C +ATOM 4557 CD2 LEU B 226 81.589 12.442 -2.772 1.00 93.21 C +ATOM 4558 N VAL B 227 83.513 6.594 -2.051 1.00 95.96 N +ATOM 4559 CA VAL B 227 83.221 5.347 -1.341 1.00 97.42 C +ATOM 4560 C VAL B 227 84.296 5.147 -0.295 1.00 99.28 C +ATOM 4561 O VAL B 227 83.980 4.749 0.840 1.00 99.88 O +ATOM 4562 CB VAL B 227 83.200 4.108 -2.282 1.00 96.77 C +ATOM 4563 CG1 VAL B 227 84.621 3.706 -2.678 1.00 95.80 C +ATOM 4564 CG2 VAL B 227 82.480 2.952 -1.590 1.00 96.05 C +ATOM 4565 N PHE B 228 85.553 5.415 -0.670 1.00100.71 N +ATOM 4566 CA PHE B 228 86.676 5.299 0.265 1.00102.23 C +ATOM 4567 C PHE B 228 86.672 6.520 1.169 1.00102.77 C +ATOM 4568 O PHE B 228 86.838 6.383 2.391 1.00103.05 O +ATOM 4569 CB PHE B 228 88.030 5.217 -0.461 1.00102.57 C +ATOM 4570 CG PHE B 228 89.231 5.214 0.484 1.00103.50 C +ATOM 4571 CD1 PHE B 228 89.276 4.341 1.587 1.00103.57 C +ATOM 4572 CD2 PHE B 228 90.311 6.082 0.276 1.00103.76 C +ATOM 4573 CE1 PHE B 228 90.383 4.334 2.472 1.00103.65 C +ATOM 4574 CE2 PHE B 228 91.426 6.083 1.153 1.00103.92 C +ATOM 4575 CZ PHE B 228 91.457 5.207 2.251 1.00103.78 C +ATOM 4576 N THR B 229 86.494 7.702 0.578 1.00103.08 N +ATOM 4577 CA THR B 229 86.442 8.941 1.348 1.00103.48 C +ATOM 4578 C THR B 229 85.125 8.978 2.176 1.00104.03 C +ATOM 4579 O THR B 229 84.688 7.917 2.649 1.00104.10 O +ATOM 4580 CB THR B 229 86.585 10.186 0.411 1.00103.04 C +ATOM 4581 OG1 THR B 229 86.314 9.816 -0.949 1.00103.10 O +ATOM 4582 CG2 THR B 229 88.001 10.740 0.490 1.00102.95 C +ATOM 4583 N VAL B 230 84.500 10.145 2.355 1.00104.39 N +ATOM 4584 CA VAL B 230 83.270 10.228 3.156 1.00104.49 C +ATOM 4585 C VAL B 230 82.270 9.141 2.772 1.00105.41 C +ATOM 4586 O VAL B 230 81.857 9.059 1.604 1.00105.34 O +ATOM 4587 CB VAL B 230 82.576 11.610 3.018 1.00103.61 C +ATOM 4588 CG1 VAL B 230 82.222 11.879 1.576 1.00103.20 C +ATOM 4589 CG2 VAL B 230 81.316 11.635 3.852 1.00102.99 C +ATOM 4590 N LYS B 231 81.903 8.300 3.741 1.00106.33 N +ATOM 4591 CA LYS B 231 80.916 7.239 3.517 1.00107.01 C +ATOM 4592 C LYS B 231 79.690 7.620 4.319 1.00107.82 C +ATOM 4593 O LYS B 231 79.493 8.810 4.610 1.00107.89 O +ATOM 4594 CB LYS B 231 81.408 5.872 4.019 1.00106.30 C +ATOM 4595 CG LYS B 231 82.907 5.672 4.031 1.00105.74 C +ATOM 4596 CD LYS B 231 83.316 4.956 5.314 1.00105.78 C +ATOM 4597 CE LYS B 231 82.879 5.747 6.556 1.00105.13 C +ATOM 4598 NZ LYS B 231 83.131 5.012 7.832 1.00105.04 N +ATOM 4599 N GLU B 232 78.880 6.629 4.691 1.00108.81 N +ATOM 4600 CA GLU B 232 77.682 6.901 5.482 1.00109.91 C +ATOM 4601 C GLU B 232 78.096 7.276 6.900 1.00110.66 C +ATOM 4602 O GLU B 232 77.593 8.275 7.429 1.00110.78 O +ATOM 4603 CB GLU B 232 76.735 5.679 5.502 1.00109.75 C +ATOM 4604 CG GLU B 232 76.012 5.378 4.158 1.00110.21 C +ATOM 4605 CD GLU B 232 74.508 5.725 4.146 1.00110.11 C +ATOM 4606 OE1 GLU B 232 73.743 5.130 4.944 1.00110.29 O +ATOM 4607 OE2 GLU B 232 74.088 6.583 3.329 1.00109.63 O +ATOM 4608 N ALA B 233 79.019 6.510 7.491 1.00111.45 N +ATOM 4609 CA ALA B 233 79.501 6.757 8.861 1.00112.03 C +ATOM 4610 C ALA B 233 79.936 8.229 9.074 1.00112.32 C +ATOM 4611 O ALA B 233 80.919 8.691 8.472 1.00112.45 O +ATOM 4612 CB ALA B 233 80.662 5.794 9.193 1.00111.91 C +ATOM 4613 N ALA B 234 79.195 8.939 9.933 1.00112.38 N +ATOM 4614 CA ALA B 234 79.443 10.351 10.274 1.00112.19 C +ATOM 4615 C ALA B 234 79.107 10.583 11.764 1.00111.94 C +ATOM 4616 O ALA B 234 77.930 10.760 12.097 1.00111.72 O +ATOM 4617 CB ALA B 234 78.584 11.273 9.373 1.00111.98 C +ATOM 4618 N ALA B 235 80.130 10.595 12.631 1.00111.84 N +ATOM 4619 CA ALA B 235 79.977 10.764 14.094 1.00111.82 C +ATOM 4620 C ALA B 235 79.341 12.097 14.494 1.00111.80 C +ATOM 4621 O ALA B 235 78.857 12.837 13.628 1.00111.46 O +ATOM 4622 CB ALA B 235 81.342 10.607 14.795 1.00111.39 C +ATOM 4623 N GLN B 236 79.341 12.392 15.801 1.00112.03 N +ATOM 4624 CA GLN B 236 78.753 13.631 16.329 1.00112.05 C +ATOM 4625 C GLN B 236 79.569 14.844 15.919 1.00112.89 C +ATOM 4626 O GLN B 236 80.614 14.680 15.278 1.00113.13 O +ATOM 4627 CB GLN B 236 78.604 13.572 17.865 1.00110.57 C +ATOM 4628 CG GLN B 236 79.673 12.796 18.623 1.00108.53 C +ATOM 4629 CD GLN B 236 81.022 13.459 18.589 1.00107.54 C +ATOM 4630 OE1 GLN B 236 81.953 12.955 17.969 1.00106.66 O +ATOM 4631 NE2 GLN B 236 81.135 14.600 19.255 1.00106.42 N +ATOM 4632 N GLN B 237 79.087 16.040 16.275 1.00113.25 N +ATOM 4633 CA GLN B 237 79.746 17.308 15.932 1.00113.17 C +ATOM 4634 C GLN B 237 81.214 17.094 15.588 1.00113.35 C +ATOM 4635 O GLN B 237 82.054 17.148 16.492 1.00113.26 O +ATOM 4636 CB GLN B 237 79.652 18.323 17.088 1.00112.48 C +ATOM 4637 CG GLN B 237 78.247 18.802 17.463 1.00111.51 C +ATOM 4638 CD GLN B 237 77.590 17.961 18.557 1.00110.94 C +ATOM 4639 OE1 GLN B 237 76.513 18.305 19.048 1.00110.10 O +ATOM 4640 NE2 GLN B 237 78.235 16.857 18.940 1.00110.36 N +ATOM 4641 N GLN B 238 81.503 16.834 14.306 1.00113.32 N +ATOM 4642 CA GLN B 238 82.872 16.637 13.795 1.00112.97 C +ATOM 4643 C GLN B 238 83.248 15.173 13.589 1.00112.84 C +ATOM 4644 O GLN B 238 82.668 14.269 14.199 1.00112.42 O +ATOM 4645 CB GLN B 238 83.894 17.318 14.718 1.00112.69 C +ATOM 4646 CG GLN B 238 85.346 17.090 14.383 1.00111.56 C +ATOM 4647 CD GLN B 238 86.249 17.758 15.388 1.00111.46 C +ATOM 4648 OE1 GLN B 238 86.327 18.982 15.450 1.00111.38 O +ATOM 4649 NE2 GLN B 238 86.923 16.954 16.199 1.00110.87 N +ATOM 4650 N GLU B 239 84.220 14.961 12.702 1.00112.58 N +ATOM 4651 CA GLU B 239 84.750 13.635 12.379 1.00112.47 C +ATOM 4652 C GLU B 239 86.217 13.801 11.984 1.00112.88 C +ATOM 4653 O GLU B 239 86.951 12.813 11.812 1.00112.97 O +ATOM 4654 CB GLU B 239 83.979 13.008 11.211 1.00111.80 C +ATOM 4655 CG GLU B 239 84.185 11.508 11.070 1.00110.53 C +ATOM 4656 CD GLU B 239 83.497 10.732 12.179 1.00110.20 C +ATOM 4657 OE1 GLU B 239 83.598 11.154 13.354 1.00109.52 O +ATOM 4658 OE2 GLU B 239 82.863 9.700 11.875 1.00109.45 O +ATOM 4659 N SER B 240 86.617 15.067 11.849 1.00112.73 N +ATOM 4660 CA SER B 240 87.970 15.495 11.471 1.00112.37 C +ATOM 4661 C SER B 240 87.880 17.005 11.253 1.00111.68 C +ATOM 4662 O SER B 240 88.668 17.604 10.509 1.00111.92 O +ATOM 4663 CB SER B 240 88.409 14.789 10.175 1.00112.65 C +ATOM 4664 OG SER B 240 89.770 15.052 9.869 1.00113.09 O +ATOM 4665 N ALA B 241 86.897 17.580 11.945 1.00110.36 N +ATOM 4666 CA ALA B 241 86.512 18.985 11.920 1.00108.98 C +ATOM 4667 C ALA B 241 85.036 18.915 11.664 1.00108.10 C +ATOM 4668 O ALA B 241 84.630 18.177 10.770 1.00107.63 O +ATOM 4669 CB ALA B 241 87.206 19.739 10.778 1.00108.44 C +ATOM 4670 N THR B 242 84.220 19.623 12.437 1.00107.50 N +ATOM 4671 CA THR B 242 82.778 19.556 12.204 1.00107.02 C +ATOM 4672 C THR B 242 82.480 19.976 10.770 1.00106.16 C +ATOM 4673 O THR B 242 81.400 19.669 10.257 1.00105.83 O +ATOM 4674 CB THR B 242 81.975 20.454 13.195 1.00107.64 C +ATOM 4675 OG1 THR B 242 82.354 20.144 14.543 1.00107.69 O +ATOM 4676 CG2 THR B 242 80.464 20.208 13.044 1.00107.88 C +ATOM 4677 N THR B 243 83.432 20.660 10.132 1.00105.07 N +ATOM 4678 CA THR B 243 83.277 21.110 8.744 1.00103.79 C +ATOM 4679 C THR B 243 83.286 19.887 7.856 1.00102.32 C +ATOM 4680 O THR B 243 82.513 19.797 6.907 1.00102.00 O +ATOM 4681 CB THR B 243 84.440 22.061 8.305 1.00104.04 C +ATOM 4682 OG1 THR B 243 84.098 22.709 7.067 1.00103.39 O +ATOM 4683 CG2 THR B 243 85.755 21.269 8.128 1.00103.88 C +ATOM 4684 N GLN B 244 84.164 18.947 8.182 1.00100.59 N +ATOM 4685 CA GLN B 244 84.287 17.710 7.436 1.00 99.43 C +ATOM 4686 C GLN B 244 83.144 16.784 7.826 1.00 98.35 C +ATOM 4687 O GLN B 244 82.801 15.884 7.063 1.00 98.23 O +ATOM 4688 CB GLN B 244 85.663 17.093 7.738 1.00 99.87 C +ATOM 4689 CG GLN B 244 85.833 15.607 7.427 1.00100.51 C +ATOM 4690 CD GLN B 244 85.464 14.711 8.607 1.00101.06 C +ATOM 4691 OE1 GLN B 244 85.728 13.497 8.595 1.00100.98 O +ATOM 4692 NE2 GLN B 244 84.850 15.305 9.635 1.00101.29 N +ATOM 4693 N LYS B 245 82.538 17.035 8.986 1.00 97.09 N +ATOM 4694 CA LYS B 245 81.439 16.217 9.496 1.00 95.78 C +ATOM 4695 C LYS B 245 80.067 16.803 9.161 1.00 94.97 C +ATOM 4696 O LYS B 245 79.044 16.156 9.388 1.00 94.60 O +ATOM 4697 CB LYS B 245 81.567 16.058 11.008 1.00 95.95 C +ATOM 4698 CG LYS B 245 80.563 15.099 11.633 1.00 95.79 C +ATOM 4699 CD LYS B 245 80.916 13.650 11.344 1.00 95.18 C +ATOM 4700 CE LYS B 245 80.929 13.343 9.853 1.00 95.13 C +ATOM 4701 NZ LYS B 245 81.646 12.075 9.557 1.00 94.51 N +ATOM 4702 N ALA B 246 80.037 18.021 8.640 1.00 93.90 N +ATOM 4703 CA ALA B 246 78.774 18.643 8.275 1.00 92.68 C +ATOM 4704 C ALA B 246 78.569 18.463 6.799 1.00 91.39 C +ATOM 4705 O ALA B 246 77.496 18.738 6.285 1.00 90.91 O +ATOM 4706 CB ALA B 246 78.800 20.114 8.615 1.00 93.25 C +ATOM 4707 N GLU B 247 79.612 18.017 6.112 1.00 90.06 N +ATOM 4708 CA GLU B 247 79.515 17.794 4.684 1.00 89.07 C +ATOM 4709 C GLU B 247 79.017 16.414 4.459 1.00 87.62 C +ATOM 4710 O GLU B 247 78.310 16.161 3.491 1.00 87.56 O +ATOM 4711 CB GLU B 247 80.872 17.980 4.010 1.00 89.51 C +ATOM 4712 CG GLU B 247 81.107 19.406 3.535 1.00 90.69 C +ATOM 4713 CD GLU B 247 79.912 19.962 2.766 1.00 91.46 C +ATOM 4714 OE1 GLU B 247 79.479 19.312 1.787 1.00 91.94 O +ATOM 4715 OE2 GLU B 247 79.401 21.046 3.139 1.00 91.95 O +ATOM 4716 N LYS B 248 79.379 15.513 5.358 1.00 86.04 N +ATOM 4717 CA LYS B 248 78.927 14.147 5.232 1.00 85.14 C +ATOM 4718 C LYS B 248 77.417 14.126 5.371 1.00 83.97 C +ATOM 4719 O LYS B 248 76.815 13.110 5.073 1.00 84.47 O +ATOM 4720 CB LYS B 248 79.591 13.258 6.292 1.00 86.18 C +ATOM 4721 CG LYS B 248 81.098 13.481 6.368 1.00 88.26 C +ATOM 4722 CD LYS B 248 81.871 12.253 6.841 1.00 89.61 C +ATOM 4723 CE LYS B 248 83.386 12.511 6.813 1.00 89.65 C +ATOM 4724 NZ LYS B 248 83.894 12.920 5.456 1.00 89.35 N +ATOM 4725 N GLU B 249 76.802 15.231 5.802 1.00 81.82 N +ATOM 4726 CA GLU B 249 75.344 15.264 5.937 1.00 79.35 C +ATOM 4727 C GLU B 249 74.743 15.702 4.625 1.00 77.66 C +ATOM 4728 O GLU B 249 73.620 15.322 4.308 1.00 77.63 O +ATOM 4729 CB GLU B 249 74.881 16.208 7.063 1.00 79.28 C +ATOM 4730 CG GLU B 249 74.880 17.699 6.716 1.00 80.37 C +ATOM 4731 CD GLU B 249 73.641 18.455 7.235 1.00 81.31 C +ATOM 4732 OE1 GLU B 249 73.192 18.173 8.370 1.00 81.55 O +ATOM 4733 OE2 GLU B 249 73.121 19.346 6.514 1.00 81.29 O +ATOM 4734 N VAL B 250 75.479 16.503 3.865 1.00 75.53 N +ATOM 4735 CA VAL B 250 74.989 16.951 2.571 1.00 73.74 C +ATOM 4736 C VAL B 250 75.124 15.807 1.592 1.00 73.31 C +ATOM 4737 O VAL B 250 74.273 15.643 0.727 1.00 74.17 O +ATOM 4738 CB VAL B 250 75.782 18.170 2.054 1.00 72.80 C +ATOM 4739 CG1 VAL B 250 75.373 18.504 0.639 1.00 72.06 C +ATOM 4740 CG2 VAL B 250 75.513 19.366 2.942 1.00 73.02 C +ATOM 4741 N THR B 251 76.174 15.002 1.744 1.00 72.43 N +ATOM 4742 CA THR B 251 76.409 13.864 0.857 1.00 70.90 C +ATOM 4743 C THR B 251 75.287 12.835 0.990 1.00 71.00 C +ATOM 4744 O THR B 251 74.800 12.324 -0.027 1.00 71.06 O +ATOM 4745 CB THR B 251 77.762 13.179 1.179 1.00 70.17 C +ATOM 4746 OG1 THR B 251 78.829 14.113 0.991 1.00 69.85 O +ATOM 4747 CG2 THR B 251 77.994 11.995 0.269 1.00 69.39 C +ATOM 4748 N ARG B 252 74.880 12.548 2.229 1.00 70.31 N +ATOM 4749 CA ARG B 252 73.833 11.568 2.526 1.00 69.14 C +ATOM 4750 C ARG B 252 72.516 12.013 1.970 1.00 67.33 C +ATOM 4751 O ARG B 252 71.722 11.185 1.534 1.00 67.36 O +ATOM 4752 CB ARG B 252 73.757 11.364 4.026 1.00 70.35 C +ATOM 4753 CG ARG B 252 75.110 10.978 4.549 1.00 74.12 C +ATOM 4754 CD ARG B 252 75.223 11.122 6.034 1.00 78.05 C +ATOM 4755 NE ARG B 252 74.390 10.151 6.719 1.00 82.92 N +ATOM 4756 CZ ARG B 252 74.400 9.951 8.034 1.00 85.55 C +ATOM 4757 NH1 ARG B 252 75.213 10.664 8.814 1.00 86.27 N +ATOM 4758 NH2 ARG B 252 73.595 9.035 8.566 1.00 87.07 N +ATOM 4759 N MET B 253 72.263 13.312 1.990 1.00 64.91 N +ATOM 4760 CA MET B 253 71.036 13.798 1.408 1.00 62.48 C +ATOM 4761 C MET B 253 71.128 13.485 -0.067 1.00 61.85 C +ATOM 4762 O MET B 253 70.246 12.840 -0.621 1.00 62.07 O +ATOM 4763 CB MET B 253 70.904 15.294 1.611 1.00 60.29 C +ATOM 4764 CG MET B 253 69.731 15.838 0.903 1.00 57.71 C +ATOM 4765 SD MET B 253 69.388 17.394 1.560 1.00 56.85 S +ATOM 4766 CE MET B 253 68.504 18.102 0.231 1.00 56.81 C +ATOM 4767 N VAL B 254 72.222 13.920 -0.685 1.00 60.66 N +ATOM 4768 CA VAL B 254 72.474 13.693 -2.103 1.00 59.52 C +ATOM 4769 C VAL B 254 72.255 12.225 -2.466 1.00 58.79 C +ATOM 4770 O VAL B 254 71.741 11.933 -3.545 1.00 58.69 O +ATOM 4771 CB VAL B 254 73.918 14.139 -2.470 1.00 59.39 C +ATOM 4772 CG1 VAL B 254 74.363 13.530 -3.794 1.00 59.30 C +ATOM 4773 CG2 VAL B 254 73.954 15.646 -2.571 1.00 58.55 C +ATOM 4774 N ILE B 255 72.625 11.309 -1.578 1.00 58.24 N +ATOM 4775 CA ILE B 255 72.446 9.880 -1.847 1.00 57.63 C +ATOM 4776 C ILE B 255 70.983 9.521 -1.779 1.00 57.32 C +ATOM 4777 O ILE B 255 70.475 8.834 -2.660 1.00 57.37 O +ATOM 4778 CB ILE B 255 73.237 9.006 -0.834 1.00 57.37 C +ATOM 4779 CG1 ILE B 255 74.714 8.996 -1.218 1.00 57.34 C +ATOM 4780 CG2 ILE B 255 72.687 7.593 -0.793 1.00 55.05 C +ATOM 4781 CD1 ILE B 255 75.548 8.111 -0.337 1.00 58.67 C +ATOM 4782 N ILE B 256 70.317 9.980 -0.731 1.00 56.45 N +ATOM 4783 CA ILE B 256 68.903 9.718 -0.551 1.00 55.97 C +ATOM 4784 C ILE B 256 68.112 10.287 -1.708 1.00 56.69 C +ATOM 4785 O ILE B 256 67.132 9.682 -2.125 1.00 56.96 O +ATOM 4786 CB ILE B 256 68.427 10.330 0.757 1.00 54.85 C +ATOM 4787 CG1 ILE B 256 68.846 9.414 1.890 1.00 54.12 C +ATOM 4788 CG2 ILE B 256 66.942 10.585 0.729 1.00 53.91 C +ATOM 4789 CD1 ILE B 256 68.506 7.988 1.626 1.00 54.61 C +ATOM 4790 N MET B 257 68.533 11.440 -2.221 1.00 56.94 N +ATOM 4791 CA MET B 257 67.857 12.072 -3.349 1.00 57.04 C +ATOM 4792 C MET B 257 67.938 11.158 -4.581 1.00 56.92 C +ATOM 4793 O MET B 257 66.985 11.061 -5.363 1.00 57.62 O +ATOM 4794 CB MET B 257 68.503 13.432 -3.639 1.00 57.60 C +ATOM 4795 CG MET B 257 68.188 14.515 -2.598 1.00 58.48 C +ATOM 4796 SD MET B 257 69.052 16.102 -2.894 1.00 61.97 S +ATOM 4797 CE MET B 257 68.312 16.668 -4.422 1.00 60.24 C +ATOM 4798 N VAL B 258 69.072 10.487 -4.742 1.00 56.29 N +ATOM 4799 CA VAL B 258 69.286 9.572 -5.854 1.00 55.39 C +ATOM 4800 C VAL B 258 68.393 8.355 -5.697 1.00 54.66 C +ATOM 4801 O VAL B 258 67.795 7.904 -6.667 1.00 54.05 O +ATOM 4802 CB VAL B 258 70.755 9.142 -5.898 1.00 55.06 C +ATOM 4803 CG1 VAL B 258 70.954 8.043 -6.903 1.00 55.21 C +ATOM 4804 CG2 VAL B 258 71.606 10.332 -6.252 1.00 55.49 C +ATOM 4805 N ILE B 259 68.317 7.827 -4.479 1.00 54.49 N +ATOM 4806 CA ILE B 259 67.482 6.662 -4.184 1.00 53.96 C +ATOM 4807 C ILE B 259 66.048 6.986 -4.556 1.00 53.53 C +ATOM 4808 O ILE B 259 65.439 6.280 -5.358 1.00 53.59 O +ATOM 4809 CB ILE B 259 67.467 6.315 -2.672 1.00 54.36 C +ATOM 4810 CG1 ILE B 259 68.847 6.525 -2.045 1.00 54.35 C +ATOM 4811 CG2 ILE B 259 67.015 4.874 -2.484 1.00 53.68 C +ATOM 4812 CD1 ILE B 259 69.847 5.497 -2.431 1.00 54.41 C +ATOM 4813 N ALA B 260 65.522 8.057 -3.959 1.00 52.41 N +ATOM 4814 CA ALA B 260 64.159 8.505 -4.193 1.00 51.30 C +ATOM 4815 C ALA B 260 63.906 8.599 -5.672 1.00 50.94 C +ATOM 4816 O ALA B 260 62.872 8.166 -6.151 1.00 51.79 O +ATOM 4817 CB ALA B 260 63.937 9.856 -3.531 1.00 50.75 C +ATOM 4818 N PHE B 261 64.857 9.148 -6.406 1.00 50.28 N +ATOM 4819 CA PHE B 261 64.687 9.288 -7.837 1.00 49.38 C +ATOM 4820 C PHE B 261 64.542 7.939 -8.503 1.00 49.58 C +ATOM 4821 O PHE B 261 63.659 7.766 -9.331 1.00 49.61 O +ATOM 4822 CB PHE B 261 65.881 10.020 -8.448 1.00 49.10 C +ATOM 4823 CG PHE B 261 65.787 10.175 -9.937 1.00 48.84 C +ATOM 4824 CD1 PHE B 261 65.138 11.271 -10.496 1.00 48.73 C +ATOM 4825 CD2 PHE B 261 66.291 9.192 -10.786 1.00 48.96 C +ATOM 4826 CE1 PHE B 261 64.988 11.389 -11.885 1.00 49.63 C +ATOM 4827 CE2 PHE B 261 66.146 9.295 -12.179 1.00 49.16 C +ATOM 4828 CZ PHE B 261 65.492 10.398 -12.730 1.00 49.57 C +ATOM 4829 N LEU B 262 65.410 6.995 -8.164 1.00 49.77 N +ATOM 4830 CA LEU B 262 65.382 5.676 -8.788 1.00 50.92 C +ATOM 4831 C LEU B 262 64.088 4.960 -8.486 1.00 50.97 C +ATOM 4832 O LEU B 262 63.518 4.307 -9.358 1.00 51.11 O +ATOM 4833 CB LEU B 262 66.590 4.855 -8.318 1.00 51.67 C +ATOM 4834 CG LEU B 262 67.944 5.449 -8.761 1.00 53.36 C +ATOM 4835 CD1 LEU B 262 69.113 4.622 -8.237 1.00 53.09 C +ATOM 4836 CD2 LEU B 262 67.988 5.509 -10.283 1.00 53.46 C +ATOM 4837 N ILE B 263 63.622 5.089 -7.256 1.00 50.48 N +ATOM 4838 CA ILE B 263 62.376 4.467 -6.836 1.00 50.00 C +ATOM 4839 C ILE B 263 61.233 5.099 -7.601 1.00 50.74 C +ATOM 4840 O ILE B 263 60.181 4.497 -7.785 1.00 51.34 O +ATOM 4841 CB ILE B 263 62.142 4.697 -5.333 1.00 48.55 C +ATOM 4842 CG1 ILE B 263 63.241 4.004 -4.535 1.00 47.59 C +ATOM 4843 CG2 ILE B 263 60.775 4.206 -4.930 1.00 48.18 C +ATOM 4844 CD1 ILE B 263 63.182 4.274 -3.068 1.00 46.97 C +ATOM 4845 N CYS B 264 61.443 6.320 -8.059 1.00 50.43 N +ATOM 4846 CA CYS B 264 60.410 7.027 -8.783 1.00 50.03 C +ATOM 4847 C CYS B 264 60.435 6.699 -10.265 1.00 49.44 C +ATOM 4848 O CYS B 264 59.367 6.610 -10.867 1.00 48.86 O +ATOM 4849 CB CYS B 264 60.616 8.536 -8.607 1.00 50.86 C +ATOM 4850 SG CYS B 264 59.143 9.492 -8.170 1.00 54.67 S +ATOM 4851 N TRP B 265 61.617 6.460 -10.839 1.00 48.03 N +ATOM 4852 CA TRP B 265 61.697 6.297 -12.295 1.00 46.33 C +ATOM 4853 C TRP B 265 62.118 4.956 -12.816 1.00 46.53 C +ATOM 4854 O TRP B 265 61.909 4.705 -14.006 1.00 47.40 O +ATOM 4855 CB TRP B 265 62.610 7.383 -12.889 1.00 44.55 C +ATOM 4856 CG TRP B 265 62.059 8.745 -12.640 1.00 42.09 C +ATOM 4857 CD1 TRP B 265 62.352 9.573 -11.594 1.00 41.74 C +ATOM 4858 CD2 TRP B 265 61.019 9.395 -13.391 1.00 41.55 C +ATOM 4859 NE1 TRP B 265 61.555 10.699 -11.645 1.00 41.57 N +ATOM 4860 CE2 TRP B 265 60.731 10.614 -12.737 1.00 40.71 C +ATOM 4861 CE3 TRP B 265 60.300 9.062 -14.555 1.00 41.60 C +ATOM 4862 CZ2 TRP B 265 59.756 11.501 -13.209 1.00 41.65 C +ATOM 4863 CZ3 TRP B 265 59.333 9.943 -15.020 1.00 39.86 C +ATOM 4864 CH2 TRP B 265 59.071 11.147 -14.347 1.00 41.10 C +ATOM 4865 N LEU B 266 62.726 4.103 -12.015 1.00 45.67 N +ATOM 4866 CA LEU B 266 63.083 2.822 -12.587 1.00 45.44 C +ATOM 4867 C LEU B 266 61.818 2.098 -12.954 1.00 46.05 C +ATOM 4868 O LEU B 266 61.716 1.581 -14.057 1.00 47.23 O +ATOM 4869 CB LEU B 266 63.917 1.991 -11.618 1.00 45.39 C +ATOM 4870 CG LEU B 266 65.423 2.098 -11.831 1.00 44.77 C +ATOM 4871 CD1 LEU B 266 65.790 3.519 -12.218 1.00 45.34 C +ATOM 4872 CD2 LEU B 266 66.137 1.686 -10.574 1.00 44.33 C +ATOM 4873 N PRO B 267 60.824 2.058 -12.054 1.00 45.88 N +ATOM 4874 CA PRO B 267 59.627 1.344 -12.477 1.00 45.57 C +ATOM 4875 C PRO B 267 59.069 1.883 -13.781 1.00 45.80 C +ATOM 4876 O PRO B 267 58.723 1.100 -14.646 1.00 46.58 O +ATOM 4877 CB PRO B 267 58.677 1.514 -11.288 1.00 44.92 C +ATOM 4878 CG PRO B 267 59.175 2.743 -10.597 1.00 45.74 C +ATOM 4879 CD PRO B 267 60.661 2.609 -10.700 1.00 45.86 C +ATOM 4880 N TYR B 268 59.011 3.203 -13.939 1.00 45.32 N +ATOM 4881 CA TYR B 268 58.483 3.789 -15.164 1.00 44.94 C +ATOM 4882 C TYR B 268 59.371 3.465 -16.331 1.00 46.26 C +ATOM 4883 O TYR B 268 58.920 2.919 -17.333 1.00 46.46 O +ATOM 4884 CB TYR B 268 58.409 5.294 -15.051 1.00 43.36 C +ATOM 4885 CG TYR B 268 57.960 5.930 -16.332 1.00 42.01 C +ATOM 4886 CD1 TYR B 268 56.610 6.031 -16.635 1.00 42.61 C +ATOM 4887 CD2 TYR B 268 58.878 6.415 -17.250 1.00 41.53 C +ATOM 4888 CE1 TYR B 268 56.178 6.605 -17.815 1.00 42.66 C +ATOM 4889 CE2 TYR B 268 58.465 6.992 -18.439 1.00 41.90 C +ATOM 4890 CZ TYR B 268 57.106 7.088 -18.717 1.00 42.37 C +ATOM 4891 OH TYR B 268 56.662 7.678 -19.883 1.00 42.30 O +ATOM 4892 N ALA B 269 60.638 3.847 -16.208 1.00 46.88 N +ATOM 4893 CA ALA B 269 61.623 3.617 -17.252 1.00 47.53 C +ATOM 4894 C ALA B 269 61.583 2.174 -17.656 1.00 47.92 C +ATOM 4895 O ALA B 269 61.731 1.866 -18.824 1.00 48.54 O +ATOM 4896 CB ALA B 269 63.004 3.978 -16.749 1.00 47.36 C +ATOM 4897 N GLY B 270 61.369 1.296 -16.686 1.00 47.83 N +ATOM 4898 CA GLY B 270 61.311 -0.125 -16.969 1.00 47.42 C +ATOM 4899 C GLY B 270 60.124 -0.516 -17.834 1.00 47.25 C +ATOM 4900 O GLY B 270 60.290 -1.215 -18.824 1.00 47.73 O +ATOM 4901 N VAL B 271 58.920 -0.081 -17.450 1.00 46.34 N +ATOM 4902 CA VAL B 271 57.704 -0.398 -18.197 1.00 44.94 C +ATOM 4903 C VAL B 271 57.832 0.175 -19.579 1.00 44.96 C +ATOM 4904 O VAL B 271 57.469 -0.470 -20.565 1.00 44.18 O +ATOM 4905 CB VAL B 271 56.478 0.226 -17.541 1.00 44.40 C +ATOM 4906 CG1 VAL B 271 55.276 -0.060 -18.363 1.00 45.04 C +ATOM 4907 CG2 VAL B 271 56.293 -0.320 -16.150 1.00 43.76 C +ATOM 4908 N ALA B 272 58.360 1.397 -19.632 1.00 45.64 N +ATOM 4909 CA ALA B 272 58.583 2.140 -20.878 1.00 45.13 C +ATOM 4910 C ALA B 272 59.491 1.364 -21.791 1.00 44.81 C +ATOM 4911 O ALA B 272 59.229 1.266 -22.977 1.00 44.89 O +ATOM 4912 CB ALA B 272 59.207 3.502 -20.575 1.00 44.63 C +ATOM 4913 N PHE B 273 60.567 0.817 -21.242 1.00 45.19 N +ATOM 4914 CA PHE B 273 61.505 0.063 -22.049 1.00 44.71 C +ATOM 4915 C PHE B 273 60.937 -1.277 -22.398 1.00 44.10 C +ATOM 4916 O PHE B 273 61.244 -1.810 -23.444 1.00 44.35 O +ATOM 4917 CB PHE B 273 62.827 -0.134 -21.325 1.00 46.55 C +ATOM 4918 CG PHE B 273 63.901 -0.665 -22.212 1.00 48.53 C +ATOM 4919 CD1 PHE B 273 64.455 0.142 -23.207 1.00 49.50 C +ATOM 4920 CD2 PHE B 273 64.298 -1.995 -22.124 1.00 49.56 C +ATOM 4921 CE1 PHE B 273 65.388 -0.373 -24.112 1.00 50.92 C +ATOM 4922 CE2 PHE B 273 65.233 -2.526 -23.025 1.00 50.61 C +ATOM 4923 CZ PHE B 273 65.777 -1.712 -24.023 1.00 50.47 C +ATOM 4924 N TYR B 274 60.116 -1.838 -21.532 1.00 43.68 N +ATOM 4925 CA TYR B 274 59.540 -3.126 -21.845 1.00 43.68 C +ATOM 4926 C TYR B 274 58.622 -3.010 -23.061 1.00 44.96 C +ATOM 4927 O TYR B 274 58.704 -3.839 -23.966 1.00 46.46 O +ATOM 4928 CB TYR B 274 58.743 -3.648 -20.674 1.00 42.52 C +ATOM 4929 CG TYR B 274 58.025 -4.901 -21.036 1.00 42.76 C +ATOM 4930 CD1 TYR B 274 58.627 -6.140 -20.866 1.00 42.66 C +ATOM 4931 CD2 TYR B 274 56.747 -4.851 -21.599 1.00 44.11 C +ATOM 4932 CE1 TYR B 274 57.979 -7.315 -21.247 1.00 42.56 C +ATOM 4933 CE2 TYR B 274 56.086 -6.018 -21.987 1.00 44.44 C +ATOM 4934 CZ TYR B 274 56.712 -7.249 -21.804 1.00 43.67 C +ATOM 4935 OH TYR B 274 56.054 -8.405 -22.176 1.00 44.70 O +ATOM 4936 N ILE B 275 57.749 -2.004 -23.066 1.00 44.74 N +ATOM 4937 CA ILE B 275 56.806 -1.753 -24.153 1.00 44.24 C +ATOM 4938 C ILE B 275 57.512 -1.439 -25.469 1.00 45.14 C +ATOM 4939 O ILE B 275 57.000 -1.806 -26.519 1.00 45.37 O +ATOM 4940 CB ILE B 275 55.925 -0.555 -23.820 1.00 44.45 C +ATOM 4941 CG1 ILE B 275 54.959 -0.925 -22.696 1.00 45.20 C +ATOM 4942 CG2 ILE B 275 55.243 -0.039 -25.081 1.00 43.57 C +ATOM 4943 CD1 ILE B 275 54.221 0.282 -22.105 1.00 45.29 C +ATOM 4944 N PHE B 276 58.652 -0.747 -25.421 1.00 45.59 N +ATOM 4945 CA PHE B 276 59.397 -0.374 -26.633 1.00 45.33 C +ATOM 4946 C PHE B 276 59.997 -1.604 -27.311 1.00 45.90 C +ATOM 4947 O PHE B 276 60.102 -1.649 -28.542 1.00 47.68 O +ATOM 4948 CB PHE B 276 60.517 0.609 -26.283 1.00 44.11 C +ATOM 4949 CG PHE B 276 61.334 1.046 -27.470 1.00 43.17 C +ATOM 4950 CD1 PHE B 276 60.795 1.895 -28.432 1.00 43.16 C +ATOM 4951 CD2 PHE B 276 62.656 0.634 -27.615 1.00 42.98 C +ATOM 4952 CE1 PHE B 276 61.562 2.331 -29.512 1.00 41.69 C +ATOM 4953 CE2 PHE B 276 63.428 1.068 -28.697 1.00 41.48 C +ATOM 4954 CZ PHE B 276 62.880 1.918 -29.642 1.00 40.83 C +ATOM 4955 N THR B 277 60.376 -2.599 -26.520 1.00 45.33 N +ATOM 4956 CA THR B 277 60.968 -3.816 -27.055 1.00 44.36 C +ATOM 4957 C THR B 277 59.916 -4.933 -27.191 1.00 44.40 C +ATOM 4958 O THR B 277 60.262 -6.088 -27.439 1.00 43.93 O +ATOM 4959 CB THR B 277 62.142 -4.279 -26.146 1.00 44.04 C +ATOM 4960 OG1 THR B 277 61.643 -4.667 -24.851 1.00 42.80 O +ATOM 4961 CG2 THR B 277 63.159 -3.136 -25.988 1.00 43.19 C +ATOM 4962 N HIS B 278 58.645 -4.586 -27.031 1.00 44.13 N +ATOM 4963 CA HIS B 278 57.546 -5.548 -27.140 1.00 44.04 C +ATOM 4964 C HIS B 278 56.292 -4.796 -27.573 1.00 43.77 C +ATOM 4965 O HIS B 278 55.220 -4.979 -27.003 1.00 42.86 O +ATOM 4966 CB HIS B 278 57.275 -6.228 -25.790 1.00 44.88 C +ATOM 4967 CG HIS B 278 58.368 -7.139 -25.311 1.00 46.31 C +ATOM 4968 ND1 HIS B 278 59.203 -6.812 -24.265 1.00 46.99 N +ATOM 4969 CD2 HIS B 278 58.694 -8.407 -25.667 1.00 47.10 C +ATOM 4970 CE1 HIS B 278 59.988 -7.841 -23.993 1.00 47.77 C +ATOM 4971 NE2 HIS B 278 59.699 -8.824 -24.829 1.00 47.19 N +ATOM 4972 N GLN B 279 56.441 -3.956 -28.588 1.00 44.35 N +ATOM 4973 CA GLN B 279 55.347 -3.128 -29.110 1.00 45.61 C +ATOM 4974 C GLN B 279 54.242 -3.986 -29.761 1.00 45.92 C +ATOM 4975 O GLN B 279 54.558 -4.912 -30.476 1.00 47.06 O +ATOM 4976 CB GLN B 279 55.932 -2.119 -30.125 1.00 45.24 C +ATOM 4977 CG GLN B 279 57.412 -1.794 -29.874 1.00 45.81 C +ATOM 4978 CD GLN B 279 57.937 -0.653 -30.723 1.00 46.19 C +ATOM 4979 OE1 GLN B 279 57.762 0.520 -30.395 1.00 47.26 O +ATOM 4980 NE2 GLN B 279 58.585 -0.996 -31.828 1.00 46.15 N +ATOM 4981 N GLY B 280 52.967 -3.690 -29.509 1.00 45.76 N +ATOM 4982 CA GLY B 280 51.900 -4.466 -30.126 1.00 45.49 C +ATOM 4983 C GLY B 280 51.502 -5.716 -29.359 1.00 46.22 C +ATOM 4984 O GLY B 280 50.473 -6.342 -29.651 1.00 45.55 O +ATOM 4985 N SER B 281 52.326 -6.078 -28.382 1.00 46.61 N +ATOM 4986 CA SER B 281 52.061 -7.240 -27.550 1.00 47.61 C +ATOM 4987 C SER B 281 50.846 -6.945 -26.735 1.00 48.19 C +ATOM 4988 O SER B 281 50.286 -5.835 -26.834 1.00 49.31 O +ATOM 4989 CB SER B 281 53.234 -7.543 -26.622 1.00 47.58 C +ATOM 4990 OG SER B 281 53.418 -6.505 -25.674 1.00 48.40 O +ATOM 4991 N ASP B 282 50.473 -7.889 -25.876 1.00 48.12 N +ATOM 4992 CA ASP B 282 49.246 -7.748 -25.103 1.00 47.14 C +ATOM 4993 C ASP B 282 49.362 -7.239 -23.679 1.00 45.94 C +ATOM 4994 O ASP B 282 49.389 -8.029 -22.744 1.00 46.73 O +ATOM 4995 CB ASP B 282 48.499 -9.072 -25.099 1.00 48.23 C +ATOM 4996 CG ASP B 282 47.029 -8.879 -24.880 1.00 50.27 C +ATOM 4997 OD1 ASP B 282 46.599 -7.698 -24.898 1.00 50.81 O +ATOM 4998 OD2 ASP B 282 46.313 -9.895 -24.701 1.00 51.89 O +ATOM 4999 N PHE B 283 49.378 -5.922 -23.519 1.00 44.03 N +ATOM 5000 CA PHE B 283 49.412 -5.308 -22.201 1.00 41.77 C +ATOM 5001 C PHE B 283 48.206 -4.400 -22.135 1.00 40.77 C +ATOM 5002 O PHE B 283 47.757 -3.923 -23.183 1.00 41.09 O +ATOM 5003 CB PHE B 283 50.696 -4.505 -22.006 1.00 41.63 C +ATOM 5004 CG PHE B 283 50.992 -3.555 -23.123 1.00 42.07 C +ATOM 5005 CD1 PHE B 283 51.752 -3.958 -24.211 1.00 41.80 C +ATOM 5006 CD2 PHE B 283 50.492 -2.261 -23.105 1.00 42.74 C +ATOM 5007 CE1 PHE B 283 52.009 -3.090 -25.261 1.00 42.05 C +ATOM 5008 CE2 PHE B 283 50.746 -1.382 -24.158 1.00 42.10 C +ATOM 5009 CZ PHE B 283 51.503 -1.800 -25.234 1.00 42.22 C +ATOM 5010 N GLY B 284 47.666 -4.170 -20.941 1.00 40.01 N +ATOM 5011 CA GLY B 284 46.492 -3.321 -20.814 1.00 38.38 C +ATOM 5012 C GLY B 284 46.803 -1.932 -20.316 1.00 38.17 C +ATOM 5013 O GLY B 284 47.954 -1.587 -20.156 1.00 38.63 O +ATOM 5014 N PRO B 285 45.781 -1.110 -20.058 1.00 38.19 N +ATOM 5015 CA PRO B 285 45.956 0.260 -19.572 1.00 38.64 C +ATOM 5016 C PRO B 285 46.569 0.406 -18.187 1.00 40.21 C +ATOM 5017 O PRO B 285 47.346 1.326 -17.965 1.00 41.47 O +ATOM 5018 CB PRO B 285 44.541 0.835 -19.651 1.00 37.92 C +ATOM 5019 CG PRO B 285 43.679 -0.360 -19.450 1.00 36.97 C +ATOM 5020 CD PRO B 285 44.358 -1.402 -20.294 1.00 37.50 C +ATOM 5021 N ILE B 286 46.239 -0.492 -17.263 1.00 41.36 N +ATOM 5022 CA ILE B 286 46.767 -0.420 -15.893 1.00 41.30 C +ATOM 5023 C ILE B 286 48.270 -0.585 -15.881 1.00 41.54 C +ATOM 5024 O ILE B 286 48.972 0.006 -15.039 1.00 42.39 O +ATOM 5025 CB ILE B 286 46.161 -1.510 -15.012 1.00 40.81 C +ATOM 5026 CG1 ILE B 286 44.637 -1.404 -15.048 1.00 41.59 C +ATOM 5027 CG2 ILE B 286 46.682 -1.376 -13.601 1.00 40.56 C +ATOM 5028 CD1 ILE B 286 44.098 -0.024 -14.690 1.00 42.26 C +ATOM 5029 N PHE B 287 48.749 -1.408 -16.808 1.00 41.41 N +ATOM 5030 CA PHE B 287 50.163 -1.697 -16.971 1.00 40.33 C +ATOM 5031 C PHE B 287 51.004 -0.422 -16.794 1.00 40.77 C +ATOM 5032 O PHE B 287 51.837 -0.369 -15.885 1.00 40.87 O +ATOM 5033 CB PHE B 287 50.390 -2.322 -18.360 1.00 38.72 C +ATOM 5034 CG PHE B 287 51.790 -2.792 -18.600 1.00 36.76 C +ATOM 5035 CD1 PHE B 287 52.479 -3.505 -17.628 1.00 36.46 C +ATOM 5036 CD2 PHE B 287 52.412 -2.558 -19.813 1.00 36.93 C +ATOM 5037 CE1 PHE B 287 53.770 -3.983 -17.857 1.00 36.54 C +ATOM 5038 CE2 PHE B 287 53.706 -3.031 -20.058 1.00 37.69 C +ATOM 5039 CZ PHE B 287 54.382 -3.746 -19.074 1.00 37.03 C +ATOM 5040 N MET B 288 50.782 0.606 -17.609 1.00 40.67 N +ATOM 5041 CA MET B 288 51.602 1.803 -17.487 1.00 40.31 C +ATOM 5042 C MET B 288 50.972 2.872 -16.608 1.00 40.71 C +ATOM 5043 O MET B 288 51.688 3.805 -16.228 1.00 41.68 O +ATOM 5044 CB MET B 288 51.924 2.379 -18.878 1.00 39.59 C +ATOM 5045 CG MET B 288 52.800 3.642 -18.879 1.00 39.33 C +ATOM 5046 SD MET B 288 54.416 3.432 -18.078 1.00 40.00 S +ATOM 5047 CE MET B 288 55.527 3.771 -19.447 1.00 37.30 C +ATOM 5048 N THR B 289 49.692 2.767 -16.253 1.00 39.60 N +ATOM 5049 CA THR B 289 49.102 3.824 -15.419 1.00 38.65 C +ATOM 5050 C THR B 289 49.757 3.930 -14.039 1.00 39.15 C +ATOM 5051 O THR B 289 50.011 5.031 -13.567 1.00 39.02 O +ATOM 5052 CB THR B 289 47.604 3.627 -15.214 1.00 37.64 C +ATOM 5053 OG1 THR B 289 46.943 3.745 -16.472 1.00 36.71 O +ATOM 5054 CG2 THR B 289 47.059 4.670 -14.263 1.00 35.50 C +ATOM 5055 N ILE B 290 50.051 2.810 -13.398 1.00 39.60 N +ATOM 5056 CA ILE B 290 50.632 2.870 -12.065 1.00 39.63 C +ATOM 5057 C ILE B 290 52.011 3.511 -12.033 1.00 39.92 C +ATOM 5058 O ILE B 290 52.171 4.554 -11.395 1.00 40.39 O +ATOM 5059 CB ILE B 290 50.711 1.497 -11.445 1.00 40.11 C +ATOM 5060 CG1 ILE B 290 49.384 0.750 -11.653 1.00 39.70 C +ATOM 5061 CG2 ILE B 290 51.101 1.653 -9.987 1.00 40.97 C +ATOM 5062 CD1 ILE B 290 48.168 1.468 -11.149 1.00 38.73 C +ATOM 5063 N PRO B 291 53.031 2.891 -12.659 1.00 39.85 N +ATOM 5064 CA PRO B 291 54.341 3.545 -12.611 1.00 39.74 C +ATOM 5065 C PRO B 291 54.347 4.975 -13.166 1.00 39.92 C +ATOM 5066 O PRO B 291 55.236 5.752 -12.799 1.00 40.39 O +ATOM 5067 CB PRO B 291 55.239 2.590 -13.405 1.00 39.32 C +ATOM 5068 CG PRO B 291 54.307 1.999 -14.398 1.00 40.03 C +ATOM 5069 CD PRO B 291 53.081 1.716 -13.547 1.00 39.63 C +ATOM 5070 N ALA B 292 53.372 5.329 -14.016 1.00 39.75 N +ATOM 5071 CA ALA B 292 53.314 6.675 -14.602 1.00 39.20 C +ATOM 5072 C ALA B 292 52.758 7.692 -13.604 1.00 39.15 C +ATOM 5073 O ALA B 292 53.348 8.783 -13.428 1.00 39.70 O +ATOM 5074 CB ALA B 292 52.477 6.669 -15.888 1.00 38.99 C +ATOM 5075 N PHE B 293 51.651 7.360 -12.940 1.00 39.27 N +ATOM 5076 CA PHE B 293 51.077 8.288 -11.983 1.00 39.44 C +ATOM 5077 C PHE B 293 51.862 8.258 -10.706 1.00 39.90 C +ATOM 5078 O PHE B 293 51.844 9.235 -9.974 1.00 39.60 O +ATOM 5079 CB PHE B 293 49.604 7.978 -11.720 1.00 38.70 C +ATOM 5080 CG PHE B 293 48.654 8.642 -12.701 1.00 38.37 C +ATOM 5081 CD1 PHE B 293 48.544 8.200 -14.026 1.00 38.24 C +ATOM 5082 CD2 PHE B 293 47.869 9.726 -12.304 1.00 38.18 C +ATOM 5083 CE1 PHE B 293 47.656 8.836 -14.946 1.00 39.09 C +ATOM 5084 CE2 PHE B 293 46.982 10.369 -13.215 1.00 38.14 C +ATOM 5085 CZ PHE B 293 46.879 9.919 -14.534 1.00 37.91 C +ATOM 5086 N PHE B 294 52.561 7.159 -10.436 1.00 40.42 N +ATOM 5087 CA PHE B 294 53.366 7.079 -9.217 1.00 40.97 C +ATOM 5088 C PHE B 294 54.568 8.002 -9.314 1.00 42.24 C +ATOM 5089 O PHE B 294 54.963 8.594 -8.312 1.00 43.33 O +ATOM 5090 CB PHE B 294 53.866 5.662 -8.970 1.00 39.37 C +ATOM 5091 CG PHE B 294 54.930 5.583 -7.917 1.00 38.59 C +ATOM 5092 CD1 PHE B 294 54.641 5.901 -6.592 1.00 39.12 C +ATOM 5093 CD2 PHE B 294 56.234 5.228 -8.249 1.00 40.05 C +ATOM 5094 CE1 PHE B 294 55.639 5.866 -5.606 1.00 40.62 C +ATOM 5095 CE2 PHE B 294 57.237 5.191 -7.275 1.00 40.30 C +ATOM 5096 CZ PHE B 294 56.935 5.512 -5.948 1.00 40.10 C +ATOM 5097 N ALA B 295 55.145 8.114 -10.511 1.00 42.91 N +ATOM 5098 CA ALA B 295 56.318 8.958 -10.742 1.00 42.73 C +ATOM 5099 C ALA B 295 55.978 10.423 -10.581 1.00 43.02 C +ATOM 5100 O ALA B 295 56.878 11.205 -10.289 1.00 44.20 O +ATOM 5101 CB ALA B 295 56.878 8.707 -12.126 1.00 42.04 C +ATOM 5102 N LYS B 296 54.719 10.813 -10.754 1.00 42.77 N +ATOM 5103 CA LYS B 296 54.375 12.221 -10.602 1.00 41.95 C +ATOM 5104 C LYS B 296 54.634 12.691 -9.198 1.00 42.06 C +ATOM 5105 O LYS B 296 54.470 13.863 -8.947 1.00 42.14 O +ATOM 5106 CB LYS B 296 52.960 12.449 -10.936 1.00 41.19 C +ATOM 5107 CG LYS B 296 52.760 12.039 -12.360 1.00 40.69 C +ATOM 5108 CD LYS B 296 51.286 12.132 -12.720 1.00 40.24 C +ATOM 5109 CE LYS B 296 50.845 12.059 -14.181 1.00 39.89 C +ATOM 5110 NZ LYS B 296 51.767 12.006 -15.339 1.00 40.48 N +ATOM 5111 N THR B 297 54.989 11.801 -8.273 1.00 42.61 N +ATOM 5112 CA THR B 297 55.296 12.245 -6.913 1.00 43.66 C +ATOM 5113 C THR B 297 56.685 12.906 -6.920 1.00 44.51 C +ATOM 5114 O THR B 297 57.151 13.427 -5.895 1.00 45.54 O +ATOM 5115 CB THR B 297 55.287 11.078 -5.865 1.00 43.34 C +ATOM 5116 OG1 THR B 297 56.192 10.039 -6.267 1.00 44.61 O +ATOM 5117 CG2 THR B 297 53.902 10.521 -5.710 1.00 42.59 C +ATOM 5118 N SER B 298 57.341 12.886 -8.076 1.00 44.44 N +ATOM 5119 CA SER B 298 58.655 13.491 -8.218 1.00 43.83 C +ATOM 5120 C SER B 298 58.540 15.000 -8.044 1.00 44.20 C +ATOM 5121 O SER B 298 59.533 15.666 -7.786 1.00 45.11 O +ATOM 5122 CB SER B 298 59.219 13.167 -9.604 1.00 42.83 C +ATOM 5123 OG SER B 298 58.340 13.609 -10.622 1.00 41.96 O +ATOM 5124 N ALA B 299 57.331 15.529 -8.178 1.00 43.63 N +ATOM 5125 CA ALA B 299 57.115 16.957 -8.051 1.00 43.86 C +ATOM 5126 C ALA B 299 57.040 17.378 -6.597 1.00 44.31 C +ATOM 5127 O ALA B 299 56.852 18.568 -6.322 1.00 45.28 O +ATOM 5128 CB ALA B 299 55.844 17.351 -8.775 1.00 42.72 C +ATOM 5129 N VAL B 300 57.244 16.452 -5.652 1.00 44.30 N +ATOM 5130 CA VAL B 300 57.155 16.857 -4.245 1.00 44.07 C +ATOM 5131 C VAL B 300 58.119 16.164 -3.282 1.00 43.78 C +ATOM 5132 O VAL B 300 58.427 16.745 -2.268 1.00 44.66 O +ATOM 5133 CB VAL B 300 55.700 16.672 -3.670 1.00 44.47 C +ATOM 5134 CG1 VAL B 300 54.656 17.301 -4.593 1.00 43.82 C +ATOM 5135 CG2 VAL B 300 55.390 15.204 -3.482 1.00 45.42 C +ATOM 5136 N TYR B 301 58.620 14.975 -3.564 1.00 43.78 N +ATOM 5137 CA TYR B 301 59.458 14.312 -2.561 1.00 44.45 C +ATOM 5138 C TYR B 301 60.766 15.009 -2.288 1.00 44.93 C +ATOM 5139 O TYR B 301 61.314 14.836 -1.207 1.00 45.63 O +ATOM 5140 CB TYR B 301 59.737 12.861 -2.958 1.00 45.71 C +ATOM 5141 CG TYR B 301 60.718 12.707 -4.098 1.00 46.31 C +ATOM 5142 CD1 TYR B 301 62.091 12.841 -3.886 1.00 47.85 C +ATOM 5143 CD2 TYR B 301 60.277 12.440 -5.399 1.00 46.21 C +ATOM 5144 CE1 TYR B 301 63.000 12.715 -4.945 1.00 47.92 C +ATOM 5145 CE2 TYR B 301 61.178 12.312 -6.454 1.00 47.75 C +ATOM 5146 CZ TYR B 301 62.532 12.453 -6.215 1.00 47.83 C +ATOM 5147 OH TYR B 301 63.416 12.341 -7.250 1.00 48.88 O +ATOM 5148 N ASN B 302 61.282 15.778 -3.242 1.00 44.85 N +ATOM 5149 CA ASN B 302 62.566 16.447 -3.043 1.00 44.29 C +ATOM 5150 C ASN B 302 62.522 17.399 -1.884 1.00 44.34 C +ATOM 5151 O ASN B 302 63.348 17.276 -0.977 1.00 44.87 O +ATOM 5152 CB ASN B 302 62.995 17.181 -4.308 1.00 44.74 C +ATOM 5153 CG ASN B 302 63.734 16.293 -5.245 1.00 45.87 C +ATOM 5154 OD1 ASN B 302 63.461 16.257 -6.439 1.00 47.74 O +ATOM 5155 ND2 ASN B 302 64.687 15.557 -4.707 1.00 44.99 N +ATOM 5156 N PRO B 303 61.578 18.366 -1.890 1.00 43.82 N +ATOM 5157 CA PRO B 303 61.505 19.309 -0.783 1.00 42.97 C +ATOM 5158 C PRO B 303 61.397 18.607 0.558 1.00 43.75 C +ATOM 5159 O PRO B 303 61.846 19.136 1.563 1.00 44.59 O +ATOM 5160 CB PRO B 303 60.263 20.132 -1.123 1.00 42.38 C +ATOM 5161 CG PRO B 303 60.271 20.162 -2.593 1.00 42.25 C +ATOM 5162 CD PRO B 303 60.583 18.718 -2.923 1.00 43.77 C +ATOM 5163 N VAL B 304 60.826 17.412 0.585 1.00 44.00 N +ATOM 5164 CA VAL B 304 60.687 16.712 1.853 1.00 44.40 C +ATOM 5165 C VAL B 304 62.027 16.170 2.353 1.00 45.74 C +ATOM 5166 O VAL B 304 62.319 16.256 3.552 1.00 44.90 O +ATOM 5167 CB VAL B 304 59.691 15.562 1.734 1.00 43.41 C +ATOM 5168 CG1 VAL B 304 59.421 14.994 3.119 1.00 42.25 C +ATOM 5169 CG2 VAL B 304 58.404 16.055 1.067 1.00 42.54 C +ATOM 5170 N ILE B 305 62.828 15.603 1.454 1.00 47.55 N +ATOM 5171 CA ILE B 305 64.127 15.072 1.850 1.00 49.56 C +ATOM 5172 C ILE B 305 64.869 16.204 2.508 1.00 50.35 C +ATOM 5173 O ILE B 305 65.346 16.082 3.623 1.00 50.79 O +ATOM 5174 CB ILE B 305 64.968 14.587 0.624 1.00 50.08 C +ATOM 5175 CG1 ILE B 305 64.174 13.594 -0.218 1.00 50.83 C +ATOM 5176 CG2 ILE B 305 66.246 13.901 1.109 1.00 51.19 C +ATOM 5177 CD1 ILE B 305 64.976 12.990 -1.332 1.00 51.52 C +ATOM 5178 N TYR B 306 64.919 17.313 1.788 1.00 50.99 N +ATOM 5179 CA TYR B 306 65.589 18.539 2.176 1.00 52.09 C +ATOM 5180 C TYR B 306 65.266 18.971 3.595 1.00 51.95 C +ATOM 5181 O TYR B 306 66.181 19.157 4.381 1.00 52.30 O +ATOM 5182 CB TYR B 306 65.165 19.613 1.186 1.00 53.79 C +ATOM 5183 CG TYR B 306 66.047 20.831 1.085 1.00 55.21 C +ATOM 5184 CD1 TYR B 306 67.391 20.800 1.468 1.00 54.93 C +ATOM 5185 CD2 TYR B 306 65.559 21.986 0.474 1.00 55.54 C +ATOM 5186 CE1 TYR B 306 68.220 21.891 1.223 1.00 54.91 C +ATOM 5187 CE2 TYR B 306 66.370 23.070 0.226 1.00 55.44 C +ATOM 5188 CZ TYR B 306 67.696 23.024 0.593 1.00 55.15 C +ATOM 5189 OH TYR B 306 68.482 24.108 0.278 1.00 55.63 O +ATOM 5190 N ILE B 307 63.987 19.150 3.914 1.00 51.94 N +ATOM 5191 CA ILE B 307 63.565 19.583 5.251 1.00 51.93 C +ATOM 5192 C ILE B 307 63.977 18.582 6.302 1.00 53.09 C +ATOM 5193 O ILE B 307 64.398 18.955 7.397 1.00 53.86 O +ATOM 5194 CB ILE B 307 62.049 19.713 5.339 1.00 50.99 C +ATOM 5195 CG1 ILE B 307 61.582 20.922 4.538 1.00 50.68 C +ATOM 5196 CG2 ILE B 307 61.626 19.807 6.787 1.00 50.76 C +ATOM 5197 CD1 ILE B 307 60.095 20.954 4.338 1.00 49.82 C +ATOM 5198 N MET B 308 63.831 17.308 5.978 1.00 53.83 N +ATOM 5199 CA MET B 308 64.171 16.253 6.901 1.00 53.92 C +ATOM 5200 C MET B 308 65.672 16.053 6.993 1.00 54.22 C +ATOM 5201 O MET B 308 66.165 15.728 8.072 1.00 53.81 O +ATOM 5202 CB MET B 308 63.507 14.966 6.438 1.00 53.79 C +ATOM 5203 CG MET B 308 62.002 15.035 6.395 1.00 55.46 C +ATOM 5204 SD MET B 308 61.289 13.937 7.630 1.00 59.06 S +ATOM 5205 CE MET B 308 60.806 12.465 6.629 1.00 57.44 C +ATOM 5206 N MET B 309 66.394 16.278 5.892 1.00 55.13 N +ATOM 5207 CA MET B 309 67.840 16.034 5.839 1.00 55.76 C +ATOM 5208 C MET B 309 68.722 17.247 5.813 1.00 56.74 C +ATOM 5209 O MET B 309 69.871 17.095 5.430 1.00 57.84 O +ATOM 5210 CB MET B 309 68.205 15.197 4.615 1.00 55.00 C +ATOM 5211 CG MET B 309 67.666 13.807 4.634 1.00 54.91 C +ATOM 5212 SD MET B 309 68.635 12.723 3.598 1.00 56.88 S +ATOM 5213 CE MET B 309 69.626 11.882 4.804 1.00 55.59 C +ATOM 5214 N ASN B 310 68.263 18.428 6.185 1.00 57.84 N +ATOM 5215 CA ASN B 310 69.196 19.549 6.140 1.00 58.65 C +ATOM 5216 C ASN B 310 68.854 20.583 7.196 1.00 59.93 C +ATOM 5217 O ASN B 310 68.140 21.553 6.933 1.00 59.83 O +ATOM 5218 CB ASN B 310 69.222 20.152 4.736 1.00 58.29 C +ATOM 5219 CG ASN B 310 70.485 20.940 4.470 1.00 58.44 C +ATOM 5220 OD1 ASN B 310 70.506 22.151 4.636 1.00 58.61 O +ATOM 5221 ND2 ASN B 310 71.553 20.249 4.069 1.00 58.42 N +ATOM 5222 N LYS B 311 69.390 20.355 8.394 1.00 61.45 N +ATOM 5223 CA LYS B 311 69.172 21.204 9.564 1.00 62.79 C +ATOM 5224 C LYS B 311 69.198 22.667 9.206 1.00 62.41 C +ATOM 5225 O LYS B 311 68.293 23.408 9.547 1.00 61.94 O +ATOM 5226 CB LYS B 311 70.249 20.902 10.616 1.00 64.69 C +ATOM 5227 CG LYS B 311 70.218 21.773 11.880 1.00 67.08 C +ATOM 5228 CD LYS B 311 69.805 20.976 13.125 1.00 69.42 C +ATOM 5229 CE LYS B 311 70.414 21.556 14.420 1.00 71.59 C +ATOM 5230 NZ LYS B 311 71.895 21.296 14.581 1.00 72.06 N +ATOM 5231 N GLN B 312 70.242 23.081 8.514 1.00 62.67 N +ATOM 5232 CA GLN B 312 70.381 24.472 8.147 1.00 63.35 C +ATOM 5233 C GLN B 312 69.137 24.986 7.494 1.00 62.46 C +ATOM 5234 O GLN B 312 68.585 25.981 7.943 1.00 62.61 O +ATOM 5235 CB GLN B 312 71.581 24.652 7.221 1.00 65.21 C +ATOM 5236 CG GLN B 312 71.709 26.057 6.666 1.00 67.87 C +ATOM 5237 CD GLN B 312 72.992 26.251 5.885 1.00 69.47 C +ATOM 5238 OE1 GLN B 312 73.177 27.267 5.197 1.00 70.28 O +ATOM 5239 NE2 GLN B 312 73.896 25.275 5.988 1.00 69.92 N +ATOM 5240 N PHE B 313 68.698 24.310 6.439 1.00 61.64 N +ATOM 5241 CA PHE B 313 67.509 24.713 5.707 1.00 60.85 C +ATOM 5242 C PHE B 313 66.279 24.628 6.586 1.00 61.16 C +ATOM 5243 O PHE B 313 65.448 25.541 6.586 1.00 61.40 O +ATOM 5244 CB PHE B 313 67.295 23.822 4.489 1.00 59.28 C +ATOM 5245 CG PHE B 313 66.069 24.183 3.703 1.00 57.46 C +ATOM 5246 CD1 PHE B 313 65.991 25.403 3.032 1.00 56.42 C +ATOM 5247 CD2 PHE B 313 64.973 23.333 3.668 1.00 57.02 C +ATOM 5248 CE1 PHE B 313 64.845 25.773 2.339 1.00 55.62 C +ATOM 5249 CE2 PHE B 313 63.819 23.699 2.975 1.00 56.02 C +ATOM 5250 CZ PHE B 313 63.760 24.922 2.311 1.00 56.21 C +ATOM 5251 N ARG B 314 66.158 23.525 7.315 1.00 61.30 N +ATOM 5252 CA ARG B 314 65.025 23.296 8.202 1.00 61.62 C +ATOM 5253 C ARG B 314 64.836 24.489 9.147 1.00 62.42 C +ATOM 5254 O ARG B 314 63.777 25.115 9.129 1.00 62.82 O +ATOM 5255 CB ARG B 314 65.265 22.008 9.006 1.00 60.89 C +ATOM 5256 CG ARG B 314 64.032 21.395 9.683 1.00 59.40 C +ATOM 5257 CD ARG B 314 64.452 20.311 10.675 1.00 57.86 C +ATOM 5258 NE ARG B 314 65.364 19.336 10.086 1.00 57.12 N +ATOM 5259 CZ ARG B 314 66.449 18.869 10.694 1.00 57.14 C +ATOM 5260 NH1 ARG B 314 66.766 19.290 11.909 1.00 57.39 N +ATOM 5261 NH2 ARG B 314 67.211 17.966 10.091 1.00 57.95 N +ATOM 5262 N ASN B 315 65.861 24.803 9.947 1.00 63.27 N +ATOM 5263 CA ASN B 315 65.821 25.894 10.938 1.00 63.16 C +ATOM 5264 C ASN B 315 65.600 27.244 10.296 1.00 62.98 C +ATOM 5265 O ASN B 315 64.863 28.077 10.830 1.00 63.00 O +ATOM 5266 CB ASN B 315 67.129 25.909 11.757 1.00 63.57 C +ATOM 5267 CG ASN B 315 67.194 24.772 12.786 1.00 64.09 C +ATOM 5268 OD1 ASN B 315 68.264 24.398 13.252 1.00 64.42 O +ATOM 5269 ND2 ASN B 315 66.034 24.234 13.150 1.00 64.62 N +ATOM 5270 N CYS B 316 66.226 27.467 9.153 1.00 62.86 N +ATOM 5271 CA CYS B 316 66.100 28.736 8.476 1.00 62.87 C +ATOM 5272 C CYS B 316 64.691 28.888 7.887 1.00 62.70 C +ATOM 5273 O CYS B 316 64.210 29.994 7.724 1.00 62.65 O +ATOM 5274 CB CYS B 316 67.257 28.844 7.465 1.00 62.54 C +ATOM 5275 SG CYS B 316 68.883 28.708 8.393 1.00 63.00 S +ATOM 5276 N MET B 317 64.008 27.773 7.643 1.00 63.35 N +ATOM 5277 CA MET B 317 62.636 27.788 7.110 1.00 63.56 C +ATOM 5278 C MET B 317 61.601 28.123 8.201 1.00 64.30 C +ATOM 5279 O MET B 317 60.690 28.921 7.969 1.00 63.66 O +ATOM 5280 CB MET B 317 62.294 26.426 6.508 1.00 63.12 C +ATOM 5281 CG MET B 317 60.799 26.114 6.517 1.00 62.72 C +ATOM 5282 SD MET B 317 60.402 24.473 5.861 1.00 64.67 S +ATOM 5283 CE MET B 317 60.324 23.427 7.377 1.00 63.34 C +ATOM 5284 N VAL B 318 61.721 27.488 9.365 1.00 65.21 N +ATOM 5285 CA VAL B 318 60.814 27.735 10.479 1.00 66.31 C +ATOM 5286 C VAL B 318 60.974 29.174 10.930 1.00 67.15 C +ATOM 5287 O VAL B 318 60.058 29.749 11.517 1.00 67.37 O +ATOM 5288 CB VAL B 318 61.110 26.786 11.653 1.00 66.46 C +ATOM 5289 CG1 VAL B 318 62.577 26.814 11.980 1.00 66.71 C +ATOM 5290 CG2 VAL B 318 60.292 27.190 12.866 1.00 67.02 C +ATOM 5291 N THR B 319 62.141 29.749 10.663 1.00 67.92 N +ATOM 5292 CA THR B 319 62.377 31.134 11.010 1.00 68.90 C +ATOM 5293 C THR B 319 61.478 31.958 10.110 1.00 69.12 C +ATOM 5294 O THR B 319 60.972 32.993 10.532 1.00 69.70 O +ATOM 5295 CB THR B 319 63.841 31.526 10.763 1.00 69.71 C +ATOM 5296 OG1 THR B 319 64.710 30.614 11.444 1.00 70.12 O +ATOM 5297 CG2 THR B 319 64.100 32.901 11.288 1.00 69.85 C +ATOM 5298 N THR B 320 61.275 31.487 8.880 1.00 68.87 N +ATOM 5299 CA THR B 320 60.416 32.168 7.909 1.00 69.18 C +ATOM 5300 C THR B 320 58.959 31.951 8.271 1.00 70.21 C +ATOM 5301 O THR B 320 58.130 32.823 8.049 1.00 69.53 O +ATOM 5302 CB THR B 320 60.649 31.639 6.477 1.00 68.42 C +ATOM 5303 OG1 THR B 320 61.975 31.963 6.060 1.00 68.18 O +ATOM 5304 CG2 THR B 320 59.670 32.259 5.500 1.00 67.46 C +ATOM 5305 N LEU B 321 58.650 30.793 8.837 1.00 72.15 N +ATOM 5306 CA LEU B 321 57.280 30.480 9.209 1.00 74.95 C +ATOM 5307 C LEU B 321 56.871 31.172 10.493 1.00 77.24 C +ATOM 5308 O LEU B 321 55.675 31.413 10.690 1.00 77.33 O +ATOM 5309 CB LEU B 321 57.097 28.973 9.368 1.00 74.23 C +ATOM 5310 CG LEU B 321 57.230 28.102 8.121 1.00 73.39 C +ATOM 5311 CD1 LEU B 321 57.180 26.666 8.576 1.00 73.50 C +ATOM 5312 CD2 LEU B 321 56.121 28.385 7.107 1.00 72.41 C +ATOM 5313 N CYS B 322 57.819 31.478 11.374 1.00 79.71 N +ATOM 5314 CA CYS B 322 57.446 32.148 12.611 1.00 82.76 C +ATOM 5315 C CYS B 322 57.412 33.597 12.349 1.00 84.91 C +ATOM 5316 O CYS B 322 57.657 34.404 13.244 1.00 85.31 O +ATOM 5317 CB CYS B 322 58.339 31.785 13.775 1.00 82.15 C +ATOM 5318 SG CYS B 322 58.097 30.038 14.099 1.00 83.70 S +ATOM 5319 N CYS B 323 57.050 33.904 11.103 1.00 87.68 N +ATOM 5320 CA CYS B 323 56.937 35.263 10.612 1.00 91.25 C +ATOM 5321 C CYS B 323 58.202 35.981 10.970 1.00 93.21 C +ATOM 5322 O CYS B 323 59.131 36.063 10.150 1.00 93.70 O +ATOM 5323 CB CYS B 323 55.720 35.937 11.230 1.00 90.94 C +ATOM 5324 SG CYS B 323 54.165 35.110 10.801 1.00 94.03 S +ATOM 5325 N GLY B 324 58.254 36.487 12.196 1.00 95.63 N +ATOM 5326 CA GLY B 324 59.443 37.175 12.650 1.00 98.12 C +ATOM 5327 C GLY B 324 60.564 36.174 12.846 1.00 99.66 C +ATOM 5328 O GLY B 324 60.903 35.409 11.935 1.00 99.36 O +ATOM 5329 N LYS B 325 61.133 36.174 14.047 1.00101.44 N +ATOM 5330 CA LYS B 325 62.228 35.276 14.373 1.00103.24 C +ATOM 5331 C LYS B 325 61.691 34.058 15.109 1.00104.20 C +ATOM 5332 O LYS B 325 60.999 33.235 14.500 1.00104.01 O +ATOM 5333 CB LYS B 325 63.294 36.014 15.217 1.00103.43 C +ATOM 5334 CG LYS B 325 63.855 37.302 14.565 1.00103.40 C +ATOM 5335 CD LYS B 325 64.864 38.022 15.466 1.00102.62 C +ATOM 5336 CE LYS B 325 65.220 39.421 14.944 1.00102.38 C +ATOM 5337 NZ LYS B 325 64.131 40.434 15.114 1.00101.55 N +ATOM 5338 N ASN B 326 61.975 33.960 16.408 1.00105.85 N +ATOM 5339 CA ASN B 326 61.556 32.810 17.208 1.00107.26 C +ATOM 5340 C ASN B 326 62.295 31.602 16.659 1.00108.35 C +ATOM 5341 O ASN B 326 61.662 30.633 16.215 1.00108.30 O +ATOM 5342 CB ASN B 326 60.036 32.585 17.108 1.00106.96 C +ATOM 5343 CG ASN B 326 59.267 33.185 18.280 1.00106.41 C +ATOM 5344 OD1 ASN B 326 59.471 32.812 19.444 1.00105.78 O +ATOM 5345 ND2 ASN B 326 58.370 34.115 17.972 1.00105.86 N +ATOM 5346 N PRO B 327 63.645 31.640 16.673 1.00109.61 N +ATOM 5347 CA PRO B 327 64.402 30.500 16.146 1.00110.49 C +ATOM 5348 C PRO B 327 64.134 29.241 16.943 1.00111.29 C +ATOM 5349 O PRO B 327 64.235 28.138 16.393 1.00111.18 O +ATOM 5350 CB PRO B 327 65.854 30.970 16.259 1.00110.51 C +ATOM 5351 CG PRO B 327 65.829 31.795 17.528 1.00110.19 C +ATOM 5352 CD PRO B 327 64.541 32.598 17.361 1.00109.79 C +ATOM 5353 N LEU B 328 63.763 29.423 18.215 1.00112.33 N +ATOM 5354 CA LEU B 328 63.507 28.330 19.152 1.00113.36 C +ATOM 5355 C LEU B 328 64.433 27.185 18.826 1.00114.59 C +ATOM 5356 O LEU B 328 65.599 27.451 18.531 1.00114.81 O +ATOM 5357 CB LEU B 328 62.034 27.889 19.121 1.00112.90 C +ATOM 5358 CG LEU B 328 60.989 28.806 19.783 1.00112.72 C +ATOM 5359 CD1 LEU B 328 61.462 29.272 21.151 1.00112.16 C +ATOM 5360 CD2 LEU B 328 60.737 30.000 18.898 1.00112.02 C +ATOM 5361 N GLY B 329 63.948 25.945 18.866 1.00115.79 N +ATOM 5362 CA GLY B 329 64.814 24.811 18.568 1.00117.25 C +ATOM 5363 C GLY B 329 66.243 25.039 19.062 1.00118.13 C +ATOM 5364 O GLY B 329 66.451 25.466 20.209 1.00118.44 O +ATOM 5365 N ASP B 330 67.229 24.763 18.205 1.00118.50 N +ATOM 5366 CA ASP B 330 68.635 24.966 18.566 1.00118.49 C +ATOM 5367 C ASP B 330 69.370 25.610 17.407 1.00118.91 C +ATOM 5368 O ASP B 330 70.510 25.219 17.096 1.00118.84 O +ATOM 5369 CB ASP B 330 69.300 23.639 18.942 1.00117.76 C +ATOM 5370 CG ASP B 330 69.872 23.668 20.337 1.00117.38 C +ATOM 5371 OD1 ASP B 330 70.649 24.599 20.629 1.00117.10 O +ATOM 5372 OD2 ASP B 330 69.542 22.773 21.139 1.00117.17 O +ATOM 5373 N ASP B 331 68.718 26.608 16.801 1.00119.37 N +ATOM 5374 CA ASP B 331 69.228 27.342 15.643 1.00119.77 C +ATOM 5375 C ASP B 331 69.917 26.396 14.706 1.00120.58 C +ATOM 5376 O ASP B 331 69.887 25.175 14.920 1.00120.90 O +ATOM 5377 CB ASP B 331 70.195 28.462 16.050 1.00118.40 C +ATOM 5378 CG ASP B 331 69.475 29.725 16.486 1.00117.65 C +ATOM 5379 OD1 ASP B 331 70.055 30.821 16.323 1.00116.75 O +ATOM 5380 OD2 ASP B 331 68.339 29.624 16.998 1.00116.97 O +ATOM 5381 N GLU B 332 70.527 26.935 13.659 1.00121.29 N +ATOM 5382 CA GLU B 332 71.225 26.086 12.713 1.00121.67 C +ATOM 5383 C GLU B 332 72.508 25.564 13.389 1.00121.62 C +ATOM 5384 O GLU B 332 73.102 24.582 12.921 1.00121.44 O +ATOM 5385 CB GLU B 332 71.538 26.897 11.456 1.00121.72 C +ATOM 5386 CG GLU B 332 71.788 26.089 10.191 1.00122.57 C +ATOM 5387 CD GLU B 332 73.021 25.168 10.246 1.00122.84 C +ATOM 5388 OE1 GLU B 332 72.907 24.016 10.728 1.00122.48 O +ATOM 5389 OE2 GLU B 332 74.110 25.595 9.798 1.00122.86 O +ATOM 5390 N ALA B 333 72.890 26.191 14.508 1.00121.24 N +ATOM 5391 CA ALA B 333 74.108 25.842 15.265 1.00120.32 C +ATOM 5392 C ALA B 333 75.293 26.536 14.582 1.00119.37 C +ATOM 5393 O ALA B 333 76.024 27.316 15.226 1.00118.75 O +ATOM 5394 CB ALA B 333 74.317 24.302 15.307 1.00120.25 C +ATOM 5395 N SER B 334 75.467 26.243 13.289 1.00118.03 N +ATOM 5396 CA SER B 334 76.503 26.857 12.449 1.00116.37 C +ATOM 5397 C SER B 334 75.882 28.160 11.934 1.00115.24 C +ATOM 5398 O SER B 334 75.355 28.941 12.743 1.00115.25 O +ATOM 5399 CB SER B 334 76.856 25.945 11.248 1.00115.92 C +ATOM 5400 OG SER B 334 77.244 24.636 11.644 1.00115.53 O +ATOM 5401 N THR B 335 75.917 28.384 10.620 1.00113.56 N +ATOM 5402 CA THR B 335 75.321 29.582 10.017 1.00111.87 C +ATOM 5403 C THR B 335 73.778 29.496 10.162 1.00110.84 C +ATOM 5404 O THR B 335 73.266 28.406 10.348 1.00110.27 O +ATOM 5405 CB THR B 335 75.755 29.695 8.519 1.00111.77 C +ATOM 5406 OG1 THR B 335 75.520 28.445 7.849 1.00111.09 O +ATOM 5407 CG2 THR B 335 77.252 30.037 8.418 1.00111.13 C +ATOM 5408 N THR B 336 73.051 30.615 10.106 1.00109.93 N +ATOM 5409 CA THR B 336 71.582 30.577 10.254 1.00108.82 C +ATOM 5410 C THR B 336 70.893 31.513 9.260 1.00108.43 C +ATOM 5411 O THR B 336 70.058 31.073 8.469 1.00108.18 O +ATOM 5412 CB THR B 336 71.136 30.982 11.692 1.00108.58 C +ATOM 5413 OG1 THR B 336 71.872 32.142 12.122 1.00107.91 O +ATOM 5414 CG2 THR B 336 71.350 29.829 12.672 1.00108.36 C +ATOM 5415 N VAL B 337 71.252 32.794 9.333 1.00108.07 N +ATOM 5416 CA VAL B 337 70.749 33.903 8.498 1.00107.38 C +ATOM 5417 C VAL B 337 69.338 33.796 7.944 1.00106.64 C +ATOM 5418 O VAL B 337 68.621 32.818 8.130 1.00106.10 O +ATOM 5419 CB VAL B 337 71.726 34.249 7.318 1.00107.10 C +ATOM 5420 CG1 VAL B 337 73.066 33.536 7.519 1.00106.83 C +ATOM 5421 CG2 VAL B 337 71.068 33.959 5.967 1.00106.32 C +ATOM 5422 N SER B 338 68.961 34.874 7.268 1.00106.15 N +ATOM 5423 CA SER B 338 67.666 35.014 6.646 1.00105.97 C +ATOM 5424 C SER B 338 67.726 36.215 5.722 1.00106.61 C +ATOM 5425 O SER B 338 68.804 36.491 5.176 1.00106.32 O +ATOM 5426 CB SER B 338 66.604 35.205 7.718 1.00105.01 C +ATOM 5427 OG SER B 338 66.739 34.205 8.719 1.00104.58 O +ATOM 5428 N LYS B 339 66.608 36.924 5.541 1.00107.20 N +ATOM 5429 CA LYS B 339 66.584 38.096 4.654 1.00107.87 C +ATOM 5430 C LYS B 339 67.296 39.266 5.344 1.00109.04 C +ATOM 5431 O LYS B 339 68.060 39.996 4.682 1.00108.83 O +ATOM 5432 CB LYS B 339 65.125 38.472 4.287 1.00106.77 C +ATOM 5433 CG LYS B 339 64.962 39.388 3.043 1.00105.23 C +ATOM 5434 CD LYS B 339 64.392 38.663 1.799 1.00103.89 C +ATOM 5435 CE LYS B 339 62.873 38.420 1.890 1.00103.22 C +ATOM 5436 NZ LYS B 339 62.293 37.667 0.725 1.00101.93 N +ATOM 5437 N THR B 340 67.065 39.428 6.653 1.00110.02 N +ATOM 5438 CA THR B 340 67.685 40.507 7.442 1.00111.06 C +ATOM 5439 C THR B 340 67.996 40.053 8.884 1.00111.59 C +ATOM 5440 O THR B 340 69.133 40.231 9.335 1.00111.84 O +ATOM 5441 CB THR B 340 66.775 41.799 7.490 1.00111.08 C +ATOM 5442 OG1 THR B 340 67.490 42.879 8.116 1.00110.92 O +ATOM 5443 CG2 THR B 340 65.476 41.535 8.266 1.00110.78 C +ATOM 5444 N GLU B 341 67.008 39.479 9.578 1.00111.73 N +ATOM 5445 CA GLU B 341 67.127 39.009 10.975 1.00111.60 C +ATOM 5446 C GLU B 341 68.529 38.489 11.344 1.00111.29 C +ATOM 5447 O GLU B 341 69.280 39.211 12.023 1.00111.27 O +ATOM 5448 CB GLU B 341 66.090 37.915 11.238 1.00112.26 C +ATOM 5449 CG GLU B 341 65.981 36.962 10.076 1.00113.21 C +ATOM 5450 CD GLU B 341 65.442 35.611 10.454 1.00113.69 C +ATOM 5451 OE1 GLU B 341 66.087 34.908 11.274 1.00113.74 O +ATOM 5452 OE2 GLU B 341 64.376 35.254 9.906 1.00113.44 O +ATOM 5453 N THR B 342 68.866 37.258 10.940 1.00110.70 N +ATOM 5454 CA THR B 342 70.179 36.663 11.242 1.00110.06 C +ATOM 5455 C THR B 342 71.041 36.525 9.954 1.00110.41 C +ATOM 5456 O THR B 342 71.994 35.727 9.940 1.00110.83 O +ATOM 5457 CB THR B 342 70.004 35.264 11.995 1.00109.28 C +ATOM 5458 OG1 THR B 342 71.284 34.635 12.188 1.00108.28 O +ATOM 5459 CG2 THR B 342 69.054 34.328 11.229 1.00108.20 C +ATOM 5460 N SER B 343 70.728 37.335 8.925 1.00110.15 N +ATOM 5461 CA SER B 343 71.399 37.366 7.597 1.00109.93 C +ATOM 5462 C SER B 343 72.875 37.834 7.636 1.00109.81 C +ATOM 5463 O SER B 343 73.587 37.723 6.613 1.00109.86 O +ATOM 5464 CB SER B 343 70.608 38.273 6.637 1.00109.67 C +ATOM 5465 OG SER B 343 71.261 38.418 5.383 1.00110.22 O +ATOM 5466 N GLN B 344 73.312 38.357 8.782 1.00109.22 N +ATOM 5467 CA GLN B 344 74.681 38.834 8.999 1.00108.57 C +ATOM 5468 C GLN B 344 75.703 37.781 8.547 1.00108.89 C +ATOM 5469 O GLN B 344 75.746 36.673 9.103 1.00108.34 O +ATOM 5470 CB GLN B 344 74.858 39.144 10.492 1.00107.77 C +ATOM 5471 CG GLN B 344 74.414 37.984 11.396 1.00107.29 C +ATOM 5472 CD GLN B 344 73.902 38.426 12.769 1.00107.32 C +ATOM 5473 OE1 GLN B 344 73.117 39.378 12.878 1.00106.91 O +ATOM 5474 NE2 GLN B 344 74.324 37.715 13.822 1.00106.94 N +ATOM 5475 N VAL B 345 76.519 38.125 7.549 1.00109.33 N +ATOM 5476 CA VAL B 345 77.530 37.200 7.038 1.00109.63 C +ATOM 5477 C VAL B 345 78.789 37.208 7.933 1.00110.06 C +ATOM 5478 O VAL B 345 79.221 38.257 8.430 1.00110.24 O +ATOM 5479 CB VAL B 345 77.918 37.526 5.532 1.00109.45 C +ATOM 5480 CG1 VAL B 345 76.649 37.665 4.683 1.00109.16 C +ATOM 5481 CG2 VAL B 345 78.771 38.794 5.439 1.00109.24 C +ATOM 5482 N ALA B 346 79.343 36.023 8.164 1.00110.17 N +ATOM 5483 CA ALA B 346 80.555 35.865 8.961 1.00110.14 C +ATOM 5484 C ALA B 346 81.415 34.785 8.288 1.00110.47 C +ATOM 5485 O ALA B 346 81.740 33.772 8.921 1.00110.47 O +ATOM 5486 CB ALA B 346 80.190 35.460 10.390 1.00110.01 C +ATOM 5487 N PRO B 347 81.772 34.983 6.993 1.00110.82 N +ATOM 5488 CA PRO B 347 82.581 34.109 6.122 1.00110.66 C +ATOM 5489 C PRO B 347 84.106 33.958 6.347 1.00110.80 C +ATOM 5490 O PRO B 347 84.549 32.981 6.969 1.00110.81 O +ATOM 5491 CB PRO B 347 82.291 34.670 4.728 1.00110.55 C +ATOM 5492 CG PRO B 347 80.942 35.292 4.855 1.00110.42 C +ATOM 5493 CD PRO B 347 81.111 36.012 6.162 1.00110.58 C +ATOM 5494 N ALA B 348 84.888 34.907 5.818 1.00110.90 N +ATOM 5495 CA ALA B 348 86.354 34.868 5.906 1.00110.98 C +ATOM 5496 C ALA B 348 87.006 36.271 6.000 1.00110.95 C +ATOM 5497 O ALA B 348 87.560 36.762 4.981 1.00110.43 O +ATOM 5498 CB ALA B 348 86.912 34.103 4.692 1.00111.35 C +ATOM 5499 OXT ALA B 348 86.976 36.871 7.100 1.00111.04 O +TER 5500 ALA B 348 +HETATM 5501 C1 NAG C 1 60.022 3.630 36.341 1.00 50.53 C +HETATM 5502 C2 NAG C 1 59.172 4.836 36.710 1.00 51.51 C +HETATM 5503 C3 NAG C 1 60.075 6.036 37.005 1.00 52.14 C +HETATM 5504 C4 NAG C 1 61.062 5.669 38.115 1.00 52.59 C +HETATM 5505 C5 NAG C 1 61.831 4.387 37.736 1.00 51.83 C +HETATM 5506 C6 NAG C 1 62.629 3.885 38.903 1.00 52.46 C +HETATM 5507 C7 NAG C 1 57.083 5.681 35.853 1.00 53.07 C +HETATM 5508 C8 NAG C 1 56.137 4.966 36.811 1.00 52.41 C +HETATM 5509 N2 NAG C 1 58.269 5.130 35.619 1.00 52.21 N +HETATM 5510 O3 NAG C 1 59.286 7.146 37.406 1.00 50.44 O +HETATM 5511 O4 NAG C 1 61.986 6.756 38.324 1.00 56.37 O +HETATM 5512 O5 NAG C 1 60.918 3.312 37.408 1.00 51.35 O +HETATM 5513 O6 NAG C 1 61.760 3.429 39.935 1.00 54.58 O +HETATM 5514 O7 NAG C 1 56.725 6.716 35.309 1.00 53.69 O +HETATM 5515 C1 NAG C 2 61.664 7.711 39.289 1.00 60.90 C +HETATM 5516 C2 NAG C 2 62.925 8.088 40.054 1.00 61.90 C +HETATM 5517 C3 NAG C 2 62.651 9.208 41.043 1.00 64.29 C +HETATM 5518 C4 NAG C 2 61.993 10.418 40.372 1.00 66.99 C +HETATM 5519 C5 NAG C 2 60.768 9.930 39.556 1.00 65.90 C +HETATM 5520 C6 NAG C 2 60.094 11.021 38.744 1.00 65.79 C +HETATM 5521 C7 NAG C 2 64.424 6.213 40.301 1.00 59.92 C +HETATM 5522 C8 NAG C 2 65.166 6.678 39.045 1.00 59.27 C +HETATM 5523 N2 NAG C 2 63.415 6.937 40.775 1.00 60.77 N +HETATM 5524 O3 NAG C 2 63.872 9.607 41.641 1.00 64.24 O +HETATM 5525 O4 NAG C 2 61.560 11.336 41.415 1.00 72.20 O +HETATM 5526 O5 NAG C 2 61.146 8.882 38.625 1.00 63.64 O +HETATM 5527 O6 NAG C 2 58.932 11.516 39.410 1.00 68.07 O +HETATM 5528 O7 NAG C 2 64.776 5.178 40.850 1.00 60.17 O +HETATM 5529 C1 MAN C 3 62.066 12.640 41.472 1.00 75.81 C +HETATM 5530 C2 MAN C 3 63.047 12.780 42.671 1.00 77.11 C +HETATM 5531 C3 MAN C 3 63.477 14.243 42.879 1.00 77.99 C +HETATM 5532 C4 MAN C 3 62.270 15.209 42.892 1.00 78.65 C +HETATM 5533 C5 MAN C 3 61.275 14.940 41.748 1.00 78.74 C +HETATM 5534 C6 MAN C 3 61.746 15.411 40.385 1.00 80.04 C +HETATM 5535 O2 MAN C 3 64.208 11.980 42.474 1.00 77.43 O +HETATM 5536 O3 MAN C 3 64.413 14.638 41.879 1.00 77.12 O +HETATM 5537 O4 MAN C 3 61.589 15.131 44.140 1.00 80.17 O +HETATM 5538 O5 MAN C 3 60.931 13.525 41.656 1.00 77.18 O +HETATM 5539 O6 MAN C 3 61.115 16.633 40.029 1.00 81.14 O +HETATM 5540 C1 NAG D 1 49.589 -8.913 30.574 1.00 54.28 C +HETATM 5541 C2 NAG D 1 48.429 -9.294 31.508 1.00 56.95 C +HETATM 5542 C3 NAG D 1 48.089 -10.793 31.338 1.00 58.26 C +HETATM 5543 C4 NAG D 1 47.983 -11.195 29.860 1.00 58.94 C +HETATM 5544 C5 NAG D 1 49.187 -10.704 29.065 1.00 56.96 C +HETATM 5545 C6 NAG D 1 49.029 -10.949 27.577 1.00 56.41 C +HETATM 5546 C7 NAG D 1 48.120 -8.104 33.613 1.00 59.22 C +HETATM 5547 C8 NAG D 1 46.809 -8.524 34.267 1.00 60.42 C +HETATM 5548 N2 NAG D 1 48.784 -9.015 32.898 1.00 57.68 N +HETATM 5549 O3 NAG D 1 46.848 -11.065 31.975 1.00 59.69 O +HETATM 5550 O4 NAG D 1 47.876 -12.623 29.739 1.00 62.78 O +HETATM 5551 O5 NAG D 1 49.313 -9.290 29.230 1.00 55.36 O +HETATM 5552 O6 NAG D 1 48.238 -9.935 26.970 1.00 55.62 O +HETATM 5553 O7 NAG D 1 48.532 -6.954 33.778 1.00 61.49 O +HETATM 5554 C1 NAG D 2 46.626 -13.060 29.352 1.00 66.12 C +HETATM 5555 C2 NAG D 2 46.723 -14.421 28.686 1.00 68.29 C +HETATM 5556 C3 NAG D 2 45.318 -14.864 28.251 1.00 70.27 C +HETATM 5557 C4 NAG D 2 44.344 -14.818 29.451 1.00 70.88 C +HETATM 5558 C5 NAG D 2 44.441 -13.452 30.184 1.00 70.08 C +HETATM 5559 C6 NAG D 2 43.653 -13.395 31.483 1.00 71.03 C +HETATM 5560 C7 NAG D 2 48.903 -14.644 27.728 1.00 69.20 C +HETATM 5561 C8 NAG D 2 49.896 -14.063 26.735 1.00 69.30 C +HETATM 5562 N2 NAG D 2 47.617 -14.363 27.551 1.00 68.52 N +HETATM 5563 O3 NAG D 2 45.365 -16.187 27.717 1.00 71.25 O +HETATM 5564 O4 NAG D 2 43.008 -15.042 28.997 1.00 71.98 O +HETATM 5565 O5 NAG D 2 45.813 -13.164 30.518 1.00 67.64 O +HETATM 5566 O6 NAG D 2 43.647 -12.078 32.027 1.00 73.08 O +HETATM 5567 O7 NAG D 2 49.305 -15.337 28.658 1.00 69.52 O +HETATM 5568 C1 NAG E 1 36.614 0.649 -33.271 1.00 51.34 C +HETATM 5569 C2 NAG E 1 36.944 2.015 -33.861 1.00 52.22 C +HETATM 5570 C3 NAG E 1 35.671 2.811 -34.124 1.00 53.97 C +HETATM 5571 C4 NAG E 1 34.682 1.968 -34.937 1.00 55.84 C +HETATM 5572 C5 NAG E 1 34.421 0.658 -34.195 1.00 53.94 C +HETATM 5573 C6 NAG E 1 33.437 -0.264 -34.890 1.00 53.40 C +HETATM 5574 C7 NAG E 1 39.065 2.927 -33.123 1.00 52.41 C +HETATM 5575 C8 NAG E 1 39.736 2.148 -34.250 1.00 52.09 C +HETATM 5576 N2 NAG E 1 37.763 2.748 -32.917 1.00 51.73 N +HETATM 5577 O3 NAG E 1 36.004 3.993 -34.832 1.00 52.84 O +HETATM 5578 O4 NAG E 1 33.448 2.679 -35.122 1.00 60.25 O +HETATM 5579 O5 NAG E 1 35.659 -0.059 -34.068 1.00 53.26 O +HETATM 5580 O6 NAG E 1 34.049 -0.949 -35.971 1.00 53.40 O +HETATM 5581 O7 NAG E 1 39.742 3.690 -32.430 1.00 53.46 O +HETATM 5582 C1 NAG E 2 33.454 3.776 -35.966 1.00 64.42 C +HETATM 5583 C2 NAG E 2 32.060 3.927 -36.570 1.00 65.80 C +HETATM 5584 C3 NAG E 2 31.894 5.246 -37.298 1.00 68.88 C +HETATM 5585 C4 NAG E 2 32.270 6.398 -36.386 1.00 71.70 C +HETATM 5586 C5 NAG E 2 33.691 6.163 -35.858 1.00 70.14 C +HETATM 5587 C6 NAG E 2 34.163 7.214 -34.881 1.00 69.99 C +HETATM 5588 C7 NAG E 2 31.142 1.774 -36.985 1.00 64.84 C +HETATM 5589 C8 NAG E 2 31.372 0.430 -37.654 1.00 64.71 C +HETATM 5590 N2 NAG E 2 31.780 2.830 -37.467 1.00 64.69 N +HETATM 5591 O3 NAG E 2 30.543 5.396 -37.695 1.00 69.73 O +HETATM 5592 O4 NAG E 2 32.214 7.614 -37.149 1.00 77.95 O +HETATM 5593 O5 NAG E 2 33.761 4.910 -35.151 1.00 66.63 O +HETATM 5594 O6 NAG E 2 35.133 6.672 -33.993 1.00 70.93 O +HETATM 5595 O7 NAG E 2 30.398 1.850 -36.009 1.00 64.78 O +HETATM 5596 C1 BMA E 3 31.651 8.727 -36.549 1.00 83.36 C +HETATM 5597 C2 BMA E 3 32.352 9.952 -37.109 1.00 86.04 C +HETATM 5598 C3 BMA E 3 31.758 11.230 -36.534 1.00 88.33 C +HETATM 5599 C4 BMA E 3 30.232 11.242 -36.806 1.00 88.09 C +HETATM 5600 C5 BMA E 3 29.571 9.922 -36.323 1.00 87.26 C +HETATM 5601 C6 BMA E 3 28.097 9.803 -36.697 1.00 87.13 C +HETATM 5602 O2 BMA E 3 32.208 9.964 -38.525 1.00 85.86 O +HETATM 5603 O3 BMA E 3 32.420 12.336 -37.192 1.00 91.40 O +HETATM 5604 O4 BMA E 3 29.623 12.349 -36.149 1.00 88.57 O +HETATM 5605 O5 BMA E 3 30.252 8.772 -36.895 1.00 85.61 O +HETATM 5606 O6 BMA E 3 27.326 9.284 -35.618 1.00 86.73 O +HETATM 5607 C1 BMA E 4 32.139 13.652 -36.798 1.00 94.34 C +HETATM 5608 C2 BMA E 4 32.482 13.847 -35.322 1.00 95.35 C +HETATM 5609 C3 BMA E 4 32.026 15.273 -34.920 1.00 95.63 C +HETATM 5610 C4 BMA E 4 32.747 16.322 -35.781 1.00 95.78 C +HETATM 5611 C5 BMA E 4 32.595 16.001 -37.299 1.00 95.58 C +HETATM 5612 C6 BMA E 4 33.572 16.805 -38.137 1.00 95.09 C +HETATM 5613 O2 BMA E 4 33.890 13.696 -35.176 1.00 96.68 O +HETATM 5614 O3 BMA E 4 32.239 15.537 -33.533 1.00 94.84 O +HETATM 5615 O4 BMA E 4 32.202 17.608 -35.501 1.00 95.99 O +HETATM 5616 O5 BMA E 4 32.879 14.600 -37.581 1.00 95.42 O +HETATM 5617 O6 BMA E 4 34.917 16.472 -37.810 1.00 94.29 O +HETATM 5618 C1 NAG F 1 49.547 -10.003 -29.179 1.00 58.92 C +HETATM 5619 C2 NAG F 1 50.633 -10.197 -30.243 1.00 61.02 C +HETATM 5620 C3 NAG F 1 51.262 -11.592 -30.143 1.00 62.34 C +HETATM 5621 C4 NAG F 1 51.690 -11.898 -28.692 1.00 63.26 C +HETATM 5622 C5 NAG F 1 50.550 -11.612 -27.715 1.00 61.89 C +HETATM 5623 C6 NAG F 1 51.009 -11.726 -26.281 1.00 61.98 C +HETATM 5624 C7 NAG F 1 50.470 -8.917 -32.289 1.00 63.14 C +HETATM 5625 C8 NAG F 1 49.462 -7.793 -32.511 1.00 64.49 C +HETATM 5626 N2 NAG F 1 50.089 -9.978 -31.576 1.00 62.07 N +HETATM 5627 O3 NAG F 1 52.397 -11.642 -31.001 1.00 61.59 O +HETATM 5628 O4 NAG F 1 52.095 -13.277 -28.565 1.00 67.57 O +HETATM 5629 O5 NAG F 1 50.085 -10.262 -27.879 1.00 60.41 O +HETATM 5630 O6 NAG F 1 52.069 -10.817 -26.019 1.00 62.13 O +HETATM 5631 O7 NAG F 1 51.603 -8.812 -32.757 1.00 63.73 O +HETATM 5632 C1 NAG F 2 53.438 -13.485 -28.281 1.00 72.28 C +HETATM 5633 C2 NAG F 2 53.611 -14.795 -27.504 1.00 73.26 C +HETATM 5634 C3 NAG F 2 55.100 -15.193 -27.374 1.00 74.27 C +HETATM 5635 C4 NAG F 2 55.861 -15.083 -28.711 1.00 75.30 C +HETATM 5636 C5 NAG F 2 55.583 -13.711 -29.350 1.00 75.80 C +HETATM 5637 C6 NAG F 2 56.228 -13.545 -30.720 1.00 76.54 C +HETATM 5638 C7 NAG F 2 52.139 -15.466 -25.719 1.00 73.95 C +HETATM 5639 C8 NAG F 2 52.608 -16.562 -24.774 1.00 74.75 C +HETATM 5640 N2 NAG F 2 53.054 -14.619 -26.176 1.00 73.73 N +HETATM 5641 O3 NAG F 2 55.185 -16.525 -26.896 1.00 74.23 O +HETATM 5642 O4 NAG F 2 57.264 -15.258 -28.497 1.00 75.94 O +HETATM 5643 O5 NAG F 2 54.153 -13.534 -29.526 1.00 75.17 O +HETATM 5644 O6 NAG F 2 55.305 -13.828 -31.773 1.00 76.86 O +HETATM 5645 O7 NAG F 2 50.957 -15.399 -26.036 1.00 74.12 O +HETATM 5646 HG HG A 901 40.411 8.354 5.719 0.89 77.55 HG +HETATM 5647 HG HG A 903 20.184 7.350 3.092 0.75 82.64 HG +HETATM 5648 HG HG A 905 29.301 26.708 -10.434 0.58 74.90 HG +HETATM 5649 ZN ZN A 957 37.135 -1.787 32.041 0.66 35.13 ZN +HETATM 5650 ZN ZN A 959 34.185 19.475 -16.677 0.85 66.76 ZN +HETATM 5651 ZN ZN A 962 28.991 12.960 19.179 0.62 56.73 ZN +HETATM 5652 ZN ZN A2011 43.253 10.256 39.493 0.68 44.04 ZN +HETATM 5653 C1 RET A1296 34.693 6.618 17.693 1.00 41.24 C +HETATM 5654 C2 RET A1296 33.949 6.007 16.481 1.00 41.55 C +HETATM 5655 C3 RET A1296 33.295 6.984 15.554 1.00 41.87 C +HETATM 5656 C4 RET A1296 34.250 8.061 15.075 1.00 41.99 C +HETATM 5657 C5 RET A1296 35.073 8.713 16.182 1.00 41.68 C +HETATM 5658 C6 RET A1296 35.369 8.034 17.402 1.00 41.33 C +HETATM 5659 C7 RET A1296 36.337 8.608 18.406 1.00 40.89 C +HETATM 5660 C8 RET A1296 37.438 9.401 18.258 1.00 42.44 C +HETATM 5661 C9 RET A1296 38.431 9.872 19.234 1.00 42.13 C +HETATM 5662 C10 RET A1296 39.519 10.514 18.702 1.00 41.64 C +HETATM 5663 C11 RET A1296 40.671 10.996 19.451 1.00 42.29 C +HETATM 5664 C12 RET A1296 41.798 11.514 18.826 1.00 40.70 C +HETATM 5665 C13 RET A1296 42.539 11.088 17.607 1.00 39.62 C +HETATM 5666 C14 RET A1296 43.680 11.789 17.413 1.00 38.78 C +HETATM 5667 C15 RET A1296 44.708 11.526 16.458 1.00 40.08 C +HETATM 5668 C16 RET A1296 33.641 6.699 18.830 1.00 40.61 C +HETATM 5669 C17 RET A1296 35.742 5.525 18.087 1.00 41.45 C +HETATM 5670 C18 RET A1296 35.454 10.113 15.758 1.00 41.96 C +HETATM 5671 C19 RET A1296 38.163 9.605 20.709 1.00 43.06 C +HETATM 5672 C20 RET A1296 42.077 9.968 16.702 1.00 39.05 C +HETATM 5673 C1 PLM A1322 42.021 28.592 -13.584 1.00 87.60 C +HETATM 5674 O2 PLM A1322 42.869 29.454 -13.411 1.00 89.73 O +HETATM 5675 C2 PLM A1322 42.446 27.124 -13.590 1.00 87.34 C +HETATM 5676 C3 PLM A1322 42.725 26.569 -12.192 1.00 85.77 C +HETATM 5677 C4 PLM A1322 44.184 26.765 -11.815 1.00 84.59 C +HETATM 5678 C5 PLM A1322 44.326 27.121 -10.368 1.00 83.71 C +HETATM 5679 C6 PLM A1322 45.551 26.455 -9.806 1.00 83.35 C +HETATM 5680 C7 PLM A1322 45.206 25.676 -8.557 1.00 82.80 C +HETATM 5681 C8 PLM A1322 46.302 25.797 -7.493 1.00 81.95 C +HETATM 5682 C9 PLM A1322 45.777 25.469 -6.102 1.00 80.22 C +HETATM 5683 CA PLM A1322 46.247 26.471 -5.081 1.00 77.88 C +HETATM 5684 CB PLM A1322 45.072 27.062 -4.346 1.00 76.06 C +HETATM 5685 CC PLM A1322 45.337 27.124 -2.860 1.00 74.98 C +HETATM 5686 CD PLM A1322 44.180 27.782 -2.145 1.00 74.93 C +HETATM 5687 CE PLM A1322 44.688 28.832 -1.188 1.00 74.67 C +HETATM 5688 CF PLM A1322 44.468 28.432 0.262 1.00 74.29 C +HETATM 5689 CG PLM A1322 44.989 29.495 1.230 1.00 73.57 C +HETATM 5690 C1 PLM A1323 44.074 33.720 -11.543 1.00 95.48 C +HETATM 5691 O2 PLM A1323 43.561 33.494 -12.631 1.00 96.38 O +HETATM 5692 C2 PLM A1323 45.440 33.085 -11.232 1.00 94.68 C +HETATM 5693 C3 PLM A1323 45.411 31.562 -11.089 1.00 93.82 C +HETATM 5694 C4 PLM A1323 45.692 31.116 -9.653 1.00 93.06 C +HETATM 5695 C5 PLM A1323 46.548 29.864 -9.606 1.00 91.93 C +HETATM 5696 C6 PLM A1323 48.039 30.184 -9.576 1.00 91.61 C +HETATM 5697 C7 PLM A1323 48.689 29.830 -10.909 1.00 90.51 C +HETATM 5698 C8 PLM A1323 50.198 30.112 -10.937 1.00 88.48 C +HETATM 5699 C9 PLM A1323 50.683 30.461 -12.356 1.00 86.19 C +HETATM 5700 CA PLM A1323 51.759 29.506 -12.869 1.00 84.90 C +HETATM 5701 CB PLM A1323 53.150 29.859 -12.332 1.00 82.42 C +HETATM 5702 CC PLM A1323 54.243 28.973 -12.933 1.00 80.55 C +HETATM 5703 CD PLM A1323 55.278 28.570 -11.888 1.00 79.25 C +HETATM 5704 CE PLM A1323 56.596 29.286 -12.117 1.00 78.36 C +HETATM 5705 CF PLM A1323 57.494 29.254 -10.889 1.00 77.82 C +HETATM 5706 CG PLM A1323 58.792 30.027 -11.120 1.00 76.68 C +HETATM 5707 C1 PLM A1410 51.106 12.159 3.159 1.00 64.69 C +HETATM 5708 C2 PLM A1410 49.803 12.935 3.419 1.00 65.39 C +HETATM 5709 C3 PLM A1410 48.822 12.350 2.365 1.00 66.54 C +HETATM 5710 C4 PLM A1410 47.319 12.515 2.728 1.00 66.27 C +HETATM 5711 C5 PLM A1410 46.133 11.700 2.180 1.00 65.47 C +HETATM 5712 C6 PLM A1410 44.739 12.186 2.581 1.00 63.66 C +HETATM 5713 C7 PLM A1410 43.676 11.281 1.974 1.00 62.71 C +HETATM 5714 C8 PLM A1410 42.944 11.984 0.861 1.00 62.81 C +HETATM 5715 C9 PLM A1410 41.787 11.303 0.015 1.00 63.12 C +HETATM 5716 CA PLM A1410 40.399 11.317 -0.699 1.00 62.78 C +HETATM 5717 CB PLM A1410 40.085 10.164 -1.239 1.00 62.81 C +HETATM 5718 CC PLM A1410 39.096 9.444 -1.082 1.00 63.02 C +HETATM 5719 CD PLM A1410 38.435 8.341 -0.709 1.00 62.45 C +HETATM 5720 CE PLM A1410 36.993 8.099 -0.828 1.00 61.76 C +HETATM 5721 CF PLM A1410 37.109 6.587 -0.903 1.00 60.59 C +HETATM 5722 CG PLM A1410 36.091 5.654 -1.156 1.00 59.64 C +HETATM 5723 C1 HTG A1507 44.758 -7.784 18.868 1.00 84.14 C +HETATM 5724 S1 HTG A1507 43.410 -7.320 17.636 1.00 84.55 S +HETATM 5725 C2 HTG A1507 45.164 -9.331 18.667 1.00 83.91 C +HETATM 5726 O2 HTG A1507 44.010 -10.186 18.834 1.00 84.65 O +HETATM 5727 C3 HTG A1507 46.317 -9.718 19.713 1.00 83.55 C +HETATM 5728 O3 HTG A1507 46.682 -11.106 19.548 1.00 83.30 O +HETATM 5729 C4 HTG A1507 47.580 -8.755 19.478 1.00 83.58 C +HETATM 5730 O4 HTG A1507 48.639 -9.065 20.406 1.00 83.85 O +HETATM 5731 C5 HTG A1507 47.172 -7.225 19.651 1.00 83.22 C +HETATM 5732 O5 HTG A1507 46.052 -6.932 18.681 1.00 84.77 O +HETATM 5733 C6 HTG A1507 48.407 -6.312 19.370 1.00 82.04 C +HETATM 5734 O6 HTG A1507 49.201 -6.064 20.520 1.00 82.10 O +HETATM 5735 C1' HTG A1507 42.737 -5.591 17.651 1.00 83.37 C +HETATM 5736 C2' HTG A1507 42.052 -5.372 16.304 1.00 82.79 C +HETATM 5737 C3' HTG A1507 41.459 -3.990 16.172 1.00 83.51 C +HETATM 5738 C4' HTG A1507 40.404 -3.950 15.084 1.00 84.57 C +HETATM 5739 C5' HTG A1507 40.837 -3.112 13.903 1.00 86.02 C +HETATM 5740 C6' HTG A1507 39.643 -2.716 13.054 1.00 86.91 C +HETATM 5741 C7' HTG A1507 40.015 -2.629 11.598 1.00 87.43 C +HETATM 5742 HG HG B 902 59.441 8.881 -5.577 0.83 79.32 HG +HETATM 5743 HG HG B 904 79.002 11.326 -5.792 0.66 96.23 HG +HETATM 5744 HG HG B 906 68.056 30.907 8.081 0.36101.31 HG +HETATM 5745 ZN ZN B 956 51.169 9.896 -38.585 0.68 49.41 ZN +HETATM 5746 ZN ZN B 958 60.366 -0.945 -32.311 0.51 29.80 ZN +HETATM 5747 ZN ZN B 963 67.581 15.535 -20.513 0.68 65.73 ZN +HETATM 5748 C1 RET B1296 63.173 7.960 -18.485 1.00 45.71 C +HETATM 5749 C2 RET B1296 64.191 7.475 -17.420 1.00 46.36 C +HETATM 5750 C3 RET B1296 64.851 8.550 -16.590 1.00 46.90 C +HETATM 5751 C4 RET B1296 63.856 9.503 -15.934 1.00 45.73 C +HETATM 5752 C5 RET B1296 62.791 10.041 -16.907 1.00 45.29 C +HETATM 5753 C6 RET B1296 62.383 9.303 -18.071 1.00 44.89 C +HETATM 5754 C7 RET B1296 61.191 9.750 -18.894 1.00 43.63 C +HETATM 5755 C8 RET B1296 60.032 10.383 -18.561 1.00 41.09 C +HETATM 5756 C9 RET B1296 58.877 10.742 -19.380 1.00 40.38 C +HETATM 5757 C10 RET B1296 57.766 11.123 -18.680 1.00 39.98 C +HETATM 5758 C11 RET B1296 56.461 11.458 -19.254 1.00 39.60 C +HETATM 5759 C12 RET B1296 55.339 11.719 -18.478 1.00 37.82 C +HETATM 5760 C13 RET B1296 54.868 11.131 -17.193 1.00 37.90 C +HETATM 5761 C14 RET B1296 53.702 11.705 -16.742 1.00 38.11 C +HETATM 5762 C15 RET B1296 52.861 11.286 -15.639 1.00 39.80 C +HETATM 5763 C16 RET B1296 64.022 8.126 -19.780 1.00 45.30 C +HETATM 5764 C17 RET B1296 62.187 6.753 -18.710 1.00 45.60 C +HETATM 5765 C18 RET B1296 62.311 11.407 -16.440 1.00 46.16 C +HETATM 5766 C19 RET B1296 59.005 10.648 -20.891 1.00 38.83 C +HETATM 5767 C20 RET B1296 55.591 9.993 -16.492 1.00 38.08 C +HETATM 5768 C1 PLM B1322 56.215 30.097 14.240 1.00 82.77 C +HETATM 5769 O2 PLM B1322 55.561 31.134 14.263 1.00 84.00 O +HETATM 5770 C2 PLM B1322 55.462 28.753 14.314 1.00 82.18 C +HETATM 5771 C3 PLM B1322 54.124 28.726 13.538 1.00 81.87 C +HETATM 5772 C4 PLM B1322 54.289 28.254 12.086 1.00 81.59 C +HETATM 5773 C5 PLM B1322 52.966 27.796 11.465 1.00 81.37 C +HETATM 5774 C6 PLM B1322 52.637 26.332 11.795 1.00 80.79 C +HETATM 5775 C7 PLM B1322 53.311 25.349 10.835 1.00 79.92 C +HETATM 5776 C8 PLM B1322 52.306 24.633 9.912 1.00 79.61 C +HETATM 5777 C9 PLM B1322 52.965 24.004 8.663 1.00 79.44 C +HETATM 5778 CA PLM B1322 53.158 24.996 7.504 1.00 79.81 C +HETATM 5779 CB PLM B1322 52.016 24.950 6.484 1.00 79.81 C +HETATM 5780 CC PLM B1322 51.485 26.350 6.138 1.00 80.11 C +HETATM 5781 CD PLM B1322 50.944 26.415 4.710 1.00 80.35 C +HETATM 5782 CE PLM B1322 51.597 27.537 3.913 1.00 80.32 C +HETATM 5783 CF PLM B1322 52.751 27.043 3.032 1.00 80.07 C +HETATM 5784 CG PLM B1322 53.350 28.164 2.171 1.00 78.87 C +HETATM 5785 C1 PLM B1323 53.785 34.215 12.432 1.00 93.06 C +HETATM 5786 O2 PLM B1323 54.498 34.217 13.444 1.00 92.58 O +HETATM 5787 C2 PLM B1323 52.447 33.443 12.467 1.00 93.23 C +HETATM 5788 C3 PLM B1323 52.540 31.943 12.134 1.00 93.47 C +HETATM 5789 C4 PLM B1323 51.168 31.293 11.863 1.00 92.92 C +HETATM 5790 C5 PLM B1323 50.400 30.974 13.148 1.00 92.77 C +HETATM 5791 C6 PLM B1323 50.186 29.474 13.327 1.00 92.10 C +HETATM 5792 C7 PLM B1323 50.436 29.053 14.775 1.00 91.04 C +HETATM 5793 C8 PLM B1323 49.456 27.970 15.262 1.00 89.87 C +HETATM 5794 C9 PLM B1323 48.350 28.555 16.144 1.00 89.14 C +HETATM 5795 CA PLM B1323 47.141 27.636 16.279 1.00 88.64 C +HETATM 5796 CB PLM B1323 45.950 28.132 15.455 1.00 88.47 C +HETATM 5797 CC PLM B1323 44.787 28.644 16.326 1.00 88.55 C +HETATM 5798 CD PLM B1323 43.530 27.752 16.250 1.00 88.35 C +HETATM 5799 CE PLM B1323 42.532 28.272 15.223 1.00 87.44 C +HETATM 5800 CF PLM B1323 41.456 27.247 14.856 1.00 86.88 C +HETATM 5801 CG PLM B1323 40.553 27.755 13.717 1.00 86.54 C +HETATM 5802 C1 HTO B1401 64.478 16.043 13.628 1.00 53.49 C +HETATM 5803 O1 HTO B1401 65.858 16.283 14.086 1.00 53.49 O +HETATM 5804 C2 HTO B1401 64.393 16.317 12.130 1.00 54.05 C +HETATM 5805 O2 HTO B1401 65.335 15.402 11.530 1.00 53.08 O +HETATM 5806 C3 HTO B1401 62.919 16.074 11.475 1.00 53.63 C +HETATM 5807 O3 HTO B1401 63.003 16.371 10.091 1.00 56.52 O +HETATM 5808 C4 HTO B1401 61.768 16.975 11.994 1.00 53.71 C +HETATM 5809 C5 HTO B1401 60.345 16.705 11.322 1.00 52.29 C +HETATM 5810 C6 HTO B1401 60.164 17.181 9.856 1.00 51.73 C +HETATM 5811 C7 HTO B1401 59.086 18.238 9.714 1.00 50.21 C +HETATM 5812 C1 PLM B1407 60.865 10.582 0.427 1.00 56.06 C +HETATM 5813 C2 PLM B1407 59.467 10.709 1.063 1.00 57.90 C +HETATM 5814 C3 PLM B1407 58.636 11.396 -0.051 1.00 59.60 C +HETATM 5815 C4 PLM B1407 57.152 11.631 0.299 1.00 59.04 C +HETATM 5816 C5 PLM B1407 55.979 11.636 -0.679 1.00 61.32 C +HETATM 5817 C6 PLM B1407 54.806 12.560 -0.316 1.00 63.57 C +HETATM 5818 C7 PLM B1407 53.667 12.486 -1.368 1.00 65.70 C +HETATM 5819 C8 PLM B1407 52.303 12.226 -0.714 1.00 67.13 C +HETATM 5820 C9 PLM B1407 50.914 12.085 -1.507 1.00 67.86 C +HETATM 5821 CA PLM B1407 49.853 11.238 -2.314 1.00 69.26 C +HETATM 5822 CB PLM B1407 49.148 10.391 -1.569 1.00 70.54 C +HETATM 5823 CC PLM B1407 47.994 9.924 -1.717 1.00 70.78 C +HETATM 5824 CD PLM B1407 46.785 9.755 -2.321 1.00 70.73 C +HETATM 5825 CE PLM B1407 45.666 8.884 -1.881 1.00 69.61 C +HETATM 5826 CF PLM B1407 44.691 9.274 -2.997 1.00 68.10 C +HETATM 5827 CG PLM B1407 43.293 9.115 -3.030 1.00 66.01 C +HETATM 5828 C1 HTG B1506 55.265 -8.580 -18.671 1.00 73.80 C +HETATM 5829 S1 HTG B1506 56.451 -8.074 -17.310 1.00 74.19 S +HETATM 5830 C2 HTG B1506 54.819 -10.095 -18.440 1.00 74.17 C +HETATM 5831 O2 HTG B1506 55.978 -10.948 -18.407 1.00 73.91 O +HETATM 5832 C3 HTG B1506 53.805 -10.547 -19.601 1.00 74.23 C +HETATM 5833 O3 HTG B1506 53.407 -11.920 -19.412 1.00 73.91 O +HETATM 5834 C4 HTG B1506 52.523 -9.572 -19.598 1.00 74.17 C +HETATM 5835 O4 HTG B1506 51.584 -9.958 -20.635 1.00 75.74 O +HETATM 5836 C5 HTG B1506 52.985 -8.041 -19.812 1.00 73.47 C +HETATM 5837 O5 HTG B1506 53.974 -7.692 -18.711 1.00 74.04 O +HETATM 5838 C6 HTG B1506 51.735 -7.088 -19.789 1.00 72.32 C +HETATM 5839 O6 HTG B1506 51.047 -7.051 -18.537 1.00 71.24 O +HETATM 5840 C1' HTG B1506 57.100 -6.338 -17.406 1.00 71.71 C +HETATM 5841 C2' HTG B1506 58.218 -6.158 -16.381 1.00 70.09 C +HETATM 5842 C3' HTG B1506 58.787 -4.741 -16.420 1.00 69.05 C +HETATM 5843 C4' HTG B1506 58.491 -3.964 -15.145 1.00 68.45 C +HETATM 5844 C5' HTG B1506 59.725 -3.290 -14.597 1.00 68.46 C +HETATM 5845 C6' HTG B1506 59.454 -2.680 -13.235 1.00 68.54 C +HETATM 5846 C7' HTG B1506 60.738 -2.317 -12.539 1.00 68.61 C +HETATM 5847 C1 HTG B1508 32.522 7.786 -9.349 1.00 73.76 C +HETATM 5848 S1 HTG B1508 32.534 6.999 -7.690 1.00 72.06 S +HETATM 5849 C2 HTG B1508 31.413 7.036 -10.199 1.00 75.22 C +HETATM 5850 O2 HTG B1508 31.718 5.626 -10.290 1.00 76.16 O +HETATM 5851 C3 HTG B1508 31.314 7.690 -11.651 1.00 75.91 C +HETATM 5852 O3 HTG B1508 30.300 7.019 -12.418 1.00 76.94 O +HETATM 5853 C4 HTG B1508 30.976 9.238 -11.517 1.00 75.72 C +HETATM 5854 O4 HTG B1508 30.884 9.853 -12.821 1.00 75.71 O +HETATM 5855 C5 HTG B1508 32.104 9.966 -10.642 1.00 75.62 C +HETATM 5856 O5 HTG B1508 32.147 9.265 -9.292 1.00 74.85 O +HETATM 5857 C6 HTG B1508 31.736 11.486 -10.493 1.00 76.51 C +HETATM 5858 O6 HTG B1508 30.391 11.704 -10.047 1.00 77.19 O +HETATM 5859 C1' HTG B1508 33.640 7.605 -6.356 1.00 70.79 C +HETATM 5860 C2' HTG B1508 35.081 7.469 -6.769 1.00 69.82 C +HETATM 5861 C3' HTG B1508 35.973 7.953 -5.637 1.00 67.87 C +HETATM 5862 C4' HTG B1508 36.842 9.123 -6.031 1.00 66.24 C +HETATM 5863 C5' HTG B1508 36.331 10.394 -5.427 1.00 64.99 C +HETATM 5864 C6' HTG B1508 36.816 10.545 -4.021 1.00 64.42 C +HETATM 5865 C7' HTG B1508 37.927 11.527 -3.969 1.00 64.30 C +HETATM 5866 C1 HTG B1509 64.583 20.708 15.180 1.00 82.21 C +HETATM 5867 S1 HTG B1509 63.512 21.350 13.802 1.00 81.73 S +HETATM 5868 C2 HTG B1509 65.980 21.522 15.189 1.00 81.65 C +HETATM 5869 O2 HTG B1509 66.665 21.365 13.932 1.00 80.98 O +HETATM 5870 C3 HTG B1509 66.908 21.016 16.386 1.00 81.75 C +HETATM 5871 O3 HTG B1509 68.153 21.739 16.388 1.00 81.06 O +HETATM 5872 C4 HTG B1509 66.124 21.217 17.771 1.00 82.58 C +HETATM 5873 O4 HTG B1509 66.944 20.779 18.881 1.00 83.87 O +HETATM 5874 C5 HTG B1509 64.705 20.404 17.754 1.00 83.10 C +HETATM 5875 O5 HTG B1509 63.897 20.900 16.554 1.00 83.45 O +HETATM 5876 C6 HTG B1509 63.909 20.630 19.130 1.00 82.66 C +HETATM 5877 O6 HTG B1509 62.720 21.461 19.044 1.00 80.24 O +HETATM 5878 C1' HTG B1509 61.870 20.626 13.532 1.00 80.52 C +HETATM 5879 C2' HTG B1509 61.281 21.428 12.381 1.00 80.36 C +HETATM 5880 C3' HTG B1509 59.895 20.949 12.011 1.00 79.76 C +HETATM 5881 C4' HTG B1509 59.311 21.758 10.876 1.00 79.51 C +HETATM 5882 C5' HTG B1509 58.022 22.388 11.305 1.00 79.83 C +HETATM 5883 C6' HTG B1509 57.964 23.847 10.923 1.00 79.86 C +HETATM 5884 C7' HTG B1509 57.068 24.621 11.859 1.00 79.93 C +HETATM 5885 O HOH A 964 41.824 4.738 11.658 1.00 48.13 O +HETATM 5886 O HOH A2000 49.110 7.658 28.237 1.00 32.50 O +HETATM 5887 O HOH A2002 49.342 -2.814 33.463 1.00 46.30 O +HETATM 5888 O HOH A2004 40.768 15.488 29.883 1.00 43.44 O +HETATM 5889 O HOH A2007 28.580 29.852 -16.188 1.00 60.35 O +HETATM 5890 O HOH A2014 44.912 9.872 19.727 0.94 34.81 O +HETATM 5891 O HOH A2015 35.893 12.241 8.920 1.00 56.63 O +HETATM 5892 O HOH A2017 37.208 16.105 5.882 1.00 26.67 O +HETATM 5893 O HOH A2020 33.214 11.359 5.382 1.00 45.27 O +HETATM 5894 O HOH A2021 44.328 16.987 16.914 1.00 42.23 O +HETATM 5895 O HOH A2024 29.916 23.848 0.458 1.00 37.57 O +HETATM 5896 O HOH A2027 46.968 22.773 19.155 1.00 42.15 O +HETATM 5897 O HOH A2028 52.690 19.627 23.119 1.00 40.87 O +HETATM 5898 O HOH A2030 35.579 15.961 9.298 1.00 44.48 O +HETATM 5899 O HOH A2032 48.193 3.343 23.561 1.00 28.45 O +HETATM 5900 O HOH A2033 44.911 12.701 31.169 1.00 45.01 O +HETATM 5901 O HOH A2035 50.973 8.201 19.008 1.00 59.41 O +HETATM 5902 O HOH A2039 39.965 -11.559 23.863 1.00 32.58 O +HETATM 5903 O HOH A2041 52.533 -2.907 19.218 1.00 29.91 O +HETATM 5904 O HOH A2042 58.414 10.737 35.179 1.00 35.52 O +HETATM 5905 O HOH A2045 44.990 15.499 29.228 1.00 36.97 O +HETATM 5906 O HOH A2047 50.078 -0.478 35.016 1.00 40.53 O +HETATM 5907 O HOH A2048 49.387 1.275 21.525 1.00 42.25 O +HETATM 5908 O HOH A2049 52.069 13.027 34.780 1.00 46.18 O +HETATM 5909 O HOH A2051 55.564 -2.577 25.226 1.00 39.20 O +HETATM 5910 O HOH A2052 44.768 -0.431 29.501 1.00 45.41 O +HETATM 5911 O HOH A2053 27.336 19.021 -9.912 1.00 40.69 O +HETATM 5912 O HOH A2055 61.141 -1.783 31.346 0.98 46.50 O +HETATM 5913 O HOH A2057 38.335 2.452 30.394 1.00 71.53 O +HETATM 5914 O HOH A2058 42.132 18.219 32.056 1.00 45.59 O +HETATM 5915 O HOH A2059 45.613 15.970 34.061 0.99 53.71 O +HETATM 5916 O HOH A2061 30.369 29.006 -11.025 1.00 47.20 O +HETATM 5917 O HOH A2062 42.839 12.670 35.850 1.00 40.51 O +HETATM 5918 O HOH A2063 37.788 14.979 32.972 1.00 46.07 O +HETATM 5919 O HOH A2064 48.953 4.821 25.720 1.00 44.54 O +HETATM 5920 O HOH A2068 34.641 4.694 44.098 1.00 45.55 O +HETATM 5921 O HOH A2070 24.499 16.592 -12.939 1.00 49.71 O +HETATM 5922 O HOH B2005 63.175 6.145 -37.125 1.00 44.32 O +HETATM 5923 O HOH B2008 65.482 13.261 -6.143 1.00 36.72 O +HETATM 5924 O HOH B2009 62.245 17.200 -9.666 0.96 50.69 O +HETATM 5925 O HOH B2012 37.413 -0.051 -36.633 1.00 54.50 O +HETATM 5926 O HOH B2016 60.389 17.198 -5.853 1.00 42.62 O +HETATM 5927 O HOH B2018 52.246 8.805 -18.688 1.00 57.94 O +HETATM 5928 O HOH B2019 57.417 4.579 -11.690 1.00 55.97 O +HETATM 5929 O HOH B2022 52.584 16.809 -16.042 1.00 42.42 O +HETATM 5930 O HOH B2023 47.327 6.545 -26.718 0.99 37.96 O +HETATM 5931 O HOH B2025 67.255 26.384 -1.416 1.00 46.01 O +HETATM 5932 O HOH B2026 48.603 21.953 -18.210 1.00 34.38 O +HETATM 5933 O HOH B2029 42.986 17.310 -21.550 0.95 60.96 O +HETATM 5934 O HOH B2031 49.956 2.198 -22.322 1.00 50.32 O +HETATM 5935 O HOH B2034 50.483 12.089 -30.280 1.00 50.19 O +HETATM 5936 O HOH B2036 61.977 14.597 -9.561 1.00 63.23 O +HETATM 5937 O HOH B2037 47.834 6.801 -17.635 1.00 42.91 O +HETATM 5938 O HOH B2038 60.768 -10.665 -24.153 1.00 21.68 O +HETATM 5939 O HOH B2040 38.374 -1.735 -35.214 1.00 66.68 O +HETATM 5940 O HOH B2043 47.993 -5.229 -18.107 1.00 39.56 O +HETATM 5941 O HOH B2044 59.290 7.983 -29.702 1.00 44.95 O +HETATM 5942 O HOH B2046 48.879 4.064 -24.826 1.00 38.28 O +HETATM 5943 O HOH B2050 49.158 0.599 -20.238 1.00 42.84 O +HETATM 5944 O HOH B2054 46.199 -3.971 -17.556 1.00 28.07 O +HETATM 5945 O HOH B2056 43.940 -7.703 -26.199 1.00 47.50 O +HETATM 5946 O HOH B2060 49.944 14.940 -28.371 1.00 46.45 O +HETATM 5947 O HOH B2065 46.801 -1.635 -34.122 1.00 44.42 O +HETATM 5948 O HOH B2066 53.036 -0.881 -28.890 1.00 45.40 O +HETATM 5949 O HOH B2067 47.971 -3.519 -26.335 1.00 48.17 O +HETATM 5950 O HOH B2069 58.943 3.863 -30.455 1.00 37.47 O +CONECT 1 2 3 4 +CONECT 2 1 +CONECT 3 1 +CONECT 4 1 +CONECT 19 5540 +CONECT 120 5501 +CONECT 886 1476 +CONECT 973 5651 +CONECT 1004 5651 +CONECT 1299 5651 +CONECT 1476 886 +CONECT 1544 5652 +CONECT 1561 5652 +CONECT 1593 5649 +CONECT 1594 5649 +CONECT 1678 5651 +CONECT 1774 5647 +CONECT 2100 5646 +CONECT 2230 5649 +CONECT 2360 5667 +CONECT 2366 5646 +CONECT 2480 5650 +CONECT 2484 5648 +CONECT 2525 5648 +CONECT 2568 5673 +CONECT 2574 5690 +CONECT 2615 5650 +CONECT 2751 2752 2753 2754 +CONECT 2752 2751 +CONECT 2753 2751 +CONECT 2754 2751 +CONECT 2769 5618 +CONECT 2870 5568 +CONECT 3280 5744 +CONECT 3636 4226 +CONECT 3754 5747 +CONECT 4226 3636 +CONECT 4294 5745 +CONECT 4311 5745 +CONECT 4343 5746 +CONECT 4344 5746 +CONECT 4428 5747 +CONECT 4850 5742 +CONECT 4980 5746 +CONECT 5110 5762 +CONECT 5275 5744 +CONECT 5318 5768 +CONECT 5324 5785 +CONECT 5411 5744 +CONECT 5418 5744 +CONECT 5501 120 5502 5512 +CONECT 5502 5501 5503 5509 +CONECT 5503 5502 5504 5510 +CONECT 5504 5503 5505 5511 +CONECT 5505 5504 5506 5512 +CONECT 5506 5505 5513 +CONECT 5507 5508 5509 5514 +CONECT 5508 5507 +CONECT 5509 5502 5507 +CONECT 5510 5503 +CONECT 5511 5504 5515 +CONECT 5512 5501 5505 +CONECT 5513 5506 +CONECT 5514 5507 +CONECT 5515 5511 5516 5526 +CONECT 5516 5515 5517 5523 +CONECT 5517 5516 5518 5524 +CONECT 5518 5517 5519 5525 +CONECT 5519 5518 5520 5526 +CONECT 5520 5519 5527 +CONECT 5521 5522 5523 5528 +CONECT 5522 5521 +CONECT 5523 5516 5521 +CONECT 5524 5517 +CONECT 5525 5518 5529 +CONECT 5526 5515 5519 +CONECT 5527 5520 +CONECT 5528 5521 +CONECT 5529 5525 5530 5538 +CONECT 5530 5529 5531 5535 +CONECT 5531 5530 5532 5536 +CONECT 5532 5531 5533 5537 +CONECT 5533 5532 5534 5538 +CONECT 5534 5533 5539 +CONECT 5535 5530 +CONECT 5536 5531 +CONECT 5537 5532 +CONECT 5538 5529 5533 +CONECT 5539 5534 +CONECT 5540 19 5541 5551 +CONECT 5541 5540 5542 5548 +CONECT 5542 5541 5543 5549 +CONECT 5543 5542 5544 5550 +CONECT 5544 5543 5545 5551 +CONECT 5545 5544 5552 +CONECT 5546 5547 5548 5553 +CONECT 5547 5546 +CONECT 5548 5541 5546 +CONECT 5549 5542 +CONECT 5550 5543 5554 +CONECT 5551 5540 5544 +CONECT 5552 5545 +CONECT 5553 5546 +CONECT 5554 5550 5555 5565 +CONECT 5555 5554 5556 5562 +CONECT 5556 5555 5557 5563 +CONECT 5557 5556 5558 5564 +CONECT 5558 5557 5559 5565 +CONECT 5559 5558 5566 +CONECT 5560 5561 5562 5567 +CONECT 5561 5560 +CONECT 5562 5555 5560 +CONECT 5563 5556 +CONECT 5564 5557 +CONECT 5565 5554 5558 +CONECT 5566 5559 +CONECT 5567 5560 +CONECT 5568 2870 5569 5579 +CONECT 5569 5568 5570 5576 +CONECT 5570 5569 5571 5577 +CONECT 5571 5570 5572 5578 +CONECT 5572 5571 5573 5579 +CONECT 5573 5572 5580 +CONECT 5574 5575 5576 5581 +CONECT 5575 5574 +CONECT 5576 5569 5574 +CONECT 5577 5570 +CONECT 5578 5571 5582 +CONECT 5579 5568 5572 +CONECT 5580 5573 +CONECT 5581 5574 +CONECT 5582 5578 5583 5593 +CONECT 5583 5582 5584 5590 +CONECT 5584 5583 5585 5591 +CONECT 5585 5584 5586 5592 +CONECT 5586 5585 5587 5593 +CONECT 5587 5586 5594 +CONECT 5588 5589 5590 5595 +CONECT 5589 5588 +CONECT 5590 5583 5588 +CONECT 5591 5584 +CONECT 5592 5585 5596 +CONECT 5593 5582 5586 +CONECT 5594 5587 +CONECT 5595 5588 +CONECT 5596 5592 5597 5605 +CONECT 5597 5596 5598 5602 +CONECT 5598 5597 5599 5603 +CONECT 5599 5598 5600 5604 +CONECT 5600 5599 5601 5605 +CONECT 5601 5600 5606 +CONECT 5602 5597 +CONECT 5603 5598 5607 +CONECT 5604 5599 +CONECT 5605 5596 5600 +CONECT 5606 5601 +CONECT 5607 5603 5608 5616 +CONECT 5608 5607 5609 5613 +CONECT 5609 5608 5610 5614 +CONECT 5610 5609 5611 5615 +CONECT 5611 5610 5612 5616 +CONECT 5612 5611 5617 +CONECT 5613 5608 +CONECT 5614 5609 +CONECT 5615 5610 +CONECT 5616 5607 5611 +CONECT 5617 5612 +CONECT 5618 2769 5619 5629 +CONECT 5619 5618 5620 5626 +CONECT 5620 5619 5621 5627 +CONECT 5621 5620 5622 5628 +CONECT 5622 5621 5623 5629 +CONECT 5623 5622 5630 +CONECT 5624 5625 5626 5631 +CONECT 5625 5624 +CONECT 5626 5619 5624 +CONECT 5627 5620 +CONECT 5628 5621 5632 +CONECT 5629 5618 5622 +CONECT 5630 5623 +CONECT 5631 5624 +CONECT 5632 5628 5633 5643 +CONECT 5633 5632 5634 5640 +CONECT 5634 5633 5635 5641 +CONECT 5635 5634 5636 5642 +CONECT 5636 5635 5637 5643 +CONECT 5637 5636 5644 +CONECT 5638 5639 5640 5645 +CONECT 5639 5638 +CONECT 5640 5633 5638 +CONECT 5641 5634 +CONECT 5642 5635 +CONECT 5643 5632 5636 +CONECT 5644 5637 +CONECT 5645 5638 +CONECT 5646 2100 2366 +CONECT 5647 1774 +CONECT 5648 2484 2525 5916 +CONECT 5649 1593 1594 2230 +CONECT 5650 2480 2615 +CONECT 5651 973 1004 1299 1678 +CONECT 5652 1544 1561 +CONECT 5653 5654 5658 5668 5669 +CONECT 5654 5653 5655 +CONECT 5655 5654 5656 +CONECT 5656 5655 5657 +CONECT 5657 5656 5658 5670 +CONECT 5658 5653 5657 5659 +CONECT 5659 5658 5660 +CONECT 5660 5659 5661 +CONECT 5661 5660 5662 5671 +CONECT 5662 5661 5663 +CONECT 5663 5662 5664 +CONECT 5664 5663 5665 +CONECT 5665 5664 5666 5672 +CONECT 5666 5665 5667 +CONECT 5667 2360 5666 +CONECT 5668 5653 +CONECT 5669 5653 +CONECT 5670 5657 +CONECT 5671 5661 +CONECT 5672 5665 +CONECT 5673 2568 5674 5675 +CONECT 5674 5673 +CONECT 5675 5673 5676 +CONECT 5676 5675 5677 +CONECT 5677 5676 5678 +CONECT 5678 5677 5679 +CONECT 5679 5678 5680 +CONECT 5680 5679 5681 +CONECT 5681 5680 5682 +CONECT 5682 5681 5683 +CONECT 5683 5682 5684 +CONECT 5684 5683 5685 +CONECT 5685 5684 5686 +CONECT 5686 5685 5687 +CONECT 5687 5686 5688 +CONECT 5688 5687 5689 +CONECT 5689 5688 +CONECT 5690 2574 5691 5692 +CONECT 5691 5690 +CONECT 5692 5690 5693 +CONECT 5693 5692 5694 +CONECT 5694 5693 5695 +CONECT 5695 5694 5696 +CONECT 5696 5695 5697 +CONECT 5697 5696 5698 +CONECT 5698 5697 5699 +CONECT 5699 5698 5700 +CONECT 5700 5699 5701 +CONECT 5701 5700 5702 +CONECT 5702 5701 5703 +CONECT 5703 5702 5704 +CONECT 5704 5703 5705 +CONECT 5705 5704 5706 +CONECT 5706 5705 +CONECT 5707 5708 +CONECT 5708 5707 5709 +CONECT 5709 5708 5710 +CONECT 5710 5709 5711 +CONECT 5711 5710 5712 +CONECT 5712 5711 5713 +CONECT 5713 5712 5714 +CONECT 5714 5713 5715 +CONECT 5715 5714 5716 +CONECT 5716 5715 5717 +CONECT 5717 5716 5718 +CONECT 5718 5717 5719 +CONECT 5719 5718 5720 +CONECT 5720 5719 5721 +CONECT 5721 5720 5722 +CONECT 5722 5721 +CONECT 5723 5724 5725 5732 +CONECT 5724 5723 5735 +CONECT 5725 5723 5726 5727 +CONECT 5726 5725 +CONECT 5727 5725 5728 5729 +CONECT 5728 5727 +CONECT 5729 5727 5730 5731 +CONECT 5730 5729 +CONECT 5731 5729 5732 5733 +CONECT 5732 5723 5731 +CONECT 5733 5731 5734 +CONECT 5734 5733 +CONECT 5735 5724 5736 +CONECT 5736 5735 5737 +CONECT 5737 5736 5738 +CONECT 5738 5737 5739 +CONECT 5739 5738 5740 +CONECT 5740 5739 5741 +CONECT 5741 5740 +CONECT 5742 4850 +CONECT 5744 3280 5275 5411 5418 +CONECT 5745 4294 4311 +CONECT 5746 4343 4344 4980 +CONECT 5747 3754 4428 +CONECT 5748 5749 5753 5763 5764 +CONECT 5749 5748 5750 +CONECT 5750 5749 5751 +CONECT 5751 5750 5752 +CONECT 5752 5751 5753 5765 +CONECT 5753 5748 5752 5754 +CONECT 5754 5753 5755 +CONECT 5755 5754 5756 +CONECT 5756 5755 5757 5766 +CONECT 5757 5756 5758 +CONECT 5758 5757 5759 +CONECT 5759 5758 5760 +CONECT 5760 5759 5761 5767 +CONECT 5761 5760 5762 +CONECT 5762 5110 5761 +CONECT 5763 5748 +CONECT 5764 5748 +CONECT 5765 5752 +CONECT 5766 5756 +CONECT 5767 5760 +CONECT 5768 5318 5769 5770 +CONECT 5769 5768 +CONECT 5770 5768 5771 +CONECT 5771 5770 5772 +CONECT 5772 5771 5773 +CONECT 5773 5772 5774 +CONECT 5774 5773 5775 +CONECT 5775 5774 5776 +CONECT 5776 5775 5777 +CONECT 5777 5776 5778 +CONECT 5778 5777 5779 +CONECT 5779 5778 5780 +CONECT 5780 5779 5781 +CONECT 5781 5780 5782 +CONECT 5782 5781 5783 +CONECT 5783 5782 5784 +CONECT 5784 5783 +CONECT 5785 5324 5786 5787 +CONECT 5786 5785 +CONECT 5787 5785 5788 +CONECT 5788 5787 5789 +CONECT 5789 5788 5790 +CONECT 5790 5789 5791 +CONECT 5791 5790 5792 +CONECT 5792 5791 5793 +CONECT 5793 5792 5794 +CONECT 5794 5793 5795 +CONECT 5795 5794 5796 +CONECT 5796 5795 5797 +CONECT 5797 5796 5798 +CONECT 5798 5797 5799 +CONECT 5799 5798 5800 +CONECT 5800 5799 5801 +CONECT 5801 5800 +CONECT 5802 5803 5804 +CONECT 5803 5802 +CONECT 5804 5802 5805 5806 +CONECT 5805 5804 +CONECT 5806 5804 5807 5808 +CONECT 5807 5806 +CONECT 5808 5806 5809 +CONECT 5809 5808 5810 +CONECT 5810 5809 5811 +CONECT 5811 5810 +CONECT 5812 5813 +CONECT 5813 5812 5814 +CONECT 5814 5813 5815 +CONECT 5815 5814 5816 +CONECT 5816 5815 5817 +CONECT 5817 5816 5818 +CONECT 5818 5817 5819 +CONECT 5819 5818 5820 +CONECT 5820 5819 5821 +CONECT 5821 5820 5822 +CONECT 5822 5821 5823 +CONECT 5823 5822 5824 +CONECT 5824 5823 5825 +CONECT 5825 5824 5826 +CONECT 5826 5825 5827 +CONECT 5827 5826 +CONECT 5828 5829 5830 5837 +CONECT 5829 5828 5840 +CONECT 5830 5828 5831 5832 +CONECT 5831 5830 +CONECT 5832 5830 5833 5834 +CONECT 5833 5832 +CONECT 5834 5832 5835 5836 +CONECT 5835 5834 +CONECT 5836 5834 5837 5838 +CONECT 5837 5828 5836 +CONECT 5838 5836 5839 +CONECT 5839 5838 +CONECT 5840 5829 5841 +CONECT 5841 5840 5842 +CONECT 5842 5841 5843 +CONECT 5843 5842 5844 +CONECT 5844 5843 5845 +CONECT 5845 5844 5846 +CONECT 5846 5845 +CONECT 5847 5848 5849 5856 +CONECT 5848 5847 5859 +CONECT 5849 5847 5850 5851 +CONECT 5850 5849 +CONECT 5851 5849 5852 5853 +CONECT 5852 5851 +CONECT 5853 5851 5854 5855 +CONECT 5854 5853 +CONECT 5855 5853 5856 5857 +CONECT 5856 5847 5855 +CONECT 5857 5855 5858 +CONECT 5858 5857 +CONECT 5859 5848 5860 +CONECT 5860 5859 5861 +CONECT 5861 5860 5862 +CONECT 5862 5861 5863 +CONECT 5863 5862 5864 +CONECT 5864 5863 5865 +CONECT 5865 5864 +CONECT 5866 5867 5868 5875 +CONECT 5867 5866 5878 +CONECT 5868 5866 5869 5870 +CONECT 5869 5868 +CONECT 5870 5868 5871 5872 +CONECT 5871 5870 +CONECT 5872 5870 5873 5874 +CONECT 5873 5872 +CONECT 5874 5872 5875 5876 +CONECT 5875 5866 5874 +CONECT 5876 5874 5877 +CONECT 5877 5876 +CONECT 5878 5867 5879 +CONECT 5879 5878 5880 +CONECT 5880 5879 5881 +CONECT 5881 5880 5882 +CONECT 5882 5881 5883 +CONECT 5883 5882 5884 +CONECT 5884 5883 +CONECT 5916 5648 +MASTER 426 0 39 29 8 0 0 6 5948 2 434 54 +END diff --git a/examples/optics_custom_annotations_ex.csv b/examples/optics_custom_annotations_ex.csv new file mode 100644 index 00000000..0e4fce1f --- /dev/null +++ b/examples/optics_custom_annotations_ex.csv @@ -0,0 +1,6 @@ +position,color,style,label +124,red,sphere,M124T (Missense) +296,yellow,stick,Retinal Site +10,blue,cartoon,N-Terminus +11,blue,cartoon, +12,blue,cartoon, \ No newline at end of file diff --git a/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/U57536_structure_heatmap_1U19_ref.pdb b/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/U57536_structure_heatmap_1U19_ref.pdb new file mode 100644 index 00000000..5f250df1 --- /dev/null +++ b/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/U57536_structure_heatmap_1U19_ref.pdb @@ -0,0 +1,7062 @@ +HEADER SIGNALING PROTEIN 15-JUL-04 1U19 +TITLE CRYSTAL STRUCTURE OF BOVINE RHODOPSIN AT 2.2 ANGSTROMS RESOLUTION +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: RHODOPSIN; +COMPND 3 CHAIN: A, B +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; +SOURCE 3 ORGANISM_COMMON: CATTLE; +SOURCE 4 ORGANISM_TAXID: 9913 +KEYWDS G PROTEIN-COUPLED RECEPTOR, MEMBRANE PROTEIN, RETINAL PROTEIN, +KEYWDS 2 PHOTORECEPTOR, SIGNALING PROTEIN +EXPDTA X-RAY DIFFRACTION +AUTHOR T.OKADA,M.SUGIHARA,A.N.BONDAR,M.ELSTNER,P.ENTEL,V.BUSS +REVDAT 7 09-OCT-24 1U19 1 REMARK +REVDAT 6 25-OCT-23 1U19 1 HETSYN +REVDAT 5 29-JUL-20 1U19 1 COMPND REMARK HETNAM LINK +REVDAT 5 2 1 SITE ATOM +REVDAT 4 25-MAR-15 1U19 1 REMARK +REVDAT 3 13-JUL-11 1U19 1 VERSN +REVDAT 2 24-FEB-09 1U19 1 VERSN +REVDAT 1 12-OCT-04 1U19 0 +JRNL AUTH T.OKADA,M.SUGIHARA,A.N.BONDAR,M.ELSTNER,P.ENTEL,V.BUSS +JRNL TITL THE RETINAL CONFORMATION AND ITS ENVIRONMENT IN RHODOPSIN IN +JRNL TITL 2 LIGHT OF A NEW 2.2 A CRYSTAL STRUCTURE +JRNL REF J.MOL.BIOL. V. 342 571 2004 +JRNL REFN ISSN 0022-2836 +JRNL PMID 15327956 +JRNL DOI 10.1016/J.JMB.2004.07.044 +REMARK 2 +REMARK 2 RESOLUTION. 2.20 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : CNS +REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- +REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, +REMARK 3 : READ,RICE,SIMONSON,WARREN +REMARK 3 +REMARK 3 REFINEMENT TARGET : ENGH & HUBER +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 50.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 85.4 +REMARK 3 NUMBER OF REFLECTIONS : 59552 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING SET) : 0.200 +REMARK 3 FREE R VALUE : 0.222 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : 2839 +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : NULL +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL +REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL +REMARK 3 BIN R VALUE (WORKING SET) : NULL +REMARK 3 BIN FREE R VALUE : NULL +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 5498 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 384 +REMARK 3 SOLVENT ATOMS : 66 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : 42.10 +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.32 +REMARK 3 ESD FROM SIGMAA (A) : 0.53 +REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.34 +REMARK 3 ESD FROM C-V SIGMAA (A) : 0.49 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.012 +REMARK 3 BOND ANGLES (DEGREES) : 1.400 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : 20.60 +REMARK 3 IMPROPER ANGLES (DEGREES) : 0.970 +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELING. +REMARK 3 METHOD USED : NULL +REMARK 3 KSOL : NULL +REMARK 3 BSOL : NULL +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : NULL +REMARK 3 TOPOLOGY FILE 1 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1U19 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 21-JUL-04. +REMARK 100 THE DEPOSITION ID IS D_1000023119. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 10-MAR-03 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 6.0 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : SPRING-8 +REMARK 200 BEAMLINE : BL41XU +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.0000 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 +REMARK 200 DATA SCALING SOFTWARE : SCALEPACK +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 61728 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200 +REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 88.4 +REMARK 200 DATA REDUNDANCY : 3.200 +REMARK 200 R MERGE (I) : 0.09300 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 11.9000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.28 +REMARK 200 COMPLETENESS FOR SHELL (%) : 46.2 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : 0.66700 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 1.200 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: AMORE +REMARK 200 STARTING MODEL: PDB ENTRY 1L9H +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 71.00 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.20 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: AMMONIUM SULFATE, PH 6.0, VAPOR +REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 283K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,-Y,Z+1/2 +REMARK 290 3555 -Y,X,Z+1/4 +REMARK 290 4555 Y,-X,Z+3/4 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 75.10000 +REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 37.55000 +REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 112.65000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, C, D +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, E, F +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 ND1 HIS A 65 O VAL A 337 2.18 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC +REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 +REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A +REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 +REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE +REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. +REMARK 500 +REMARK 500 DISTANCE CUTOFF: +REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS +REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE +REMARK 500 NE2 GLN A 344 O6 HTG B 1509 4564 2.04 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 PRO B 347 C - N - CA ANGL. DEV. = 9.1 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 TYR A 10 94.72 -164.52 +REMARK 500 GLU A 25 -25.20 -145.41 +REMARK 500 VAL A 139 -73.95 -68.59 +REMARK 500 LYS A 141 91.59 16.27 +REMARK 500 ASN A 145 36.50 -177.92 +REMARK 500 SER A 176 -163.64 66.65 +REMARK 500 GLN A 184 30.66 71.64 +REMARK 500 HIS A 195 81.05 4.65 +REMARK 500 HIS A 211 53.00 -114.92 +REMARK 500 PHE A 212 -83.13 179.74 +REMARK 500 LEU A 226 41.59 -78.43 +REMARK 500 THR A 229 -136.01 -81.41 +REMARK 500 ALA A 233 94.22 -62.40 +REMARK 500 ALA A 235 -151.04 -93.74 +REMARK 500 GLN A 238 125.99 69.04 +REMARK 500 SER A 240 17.04 167.58 +REMARK 500 ALA A 241 132.21 148.69 +REMARK 500 HIS A 278 47.56 -143.13 +REMARK 500 VAL A 300 -33.74 -133.39 +REMARK 500 CYS A 322 31.86 -67.16 +REMARK 500 CYS A 323 -68.14 45.04 +REMARK 500 LYS A 325 -118.21 -137.50 +REMARK 500 ASN A 326 72.32 54.51 +REMARK 500 PRO A 327 27.99 -69.90 +REMARK 500 LEU A 328 -101.09 11.79 +REMARK 500 ASP A 331 -151.01 61.85 +REMARK 500 ALA A 333 -29.31 68.77 +REMARK 500 SER A 334 -161.99 -107.01 +REMARK 500 THR A 335 159.81 -38.78 +REMARK 500 SER A 338 -144.27 -176.70 +REMARK 500 LYS A 339 -71.43 -108.32 +REMARK 500 GLU A 341 -121.86 -70.18 +REMARK 500 THR A 342 45.44 -97.23 +REMARK 500 GLN A 344 107.02 -51.12 +REMARK 500 ALA A 346 59.91 -146.16 +REMARK 500 PRO A 347 -107.93 -83.03 +REMARK 500 TYR B 10 97.71 -161.29 +REMARK 500 SER B 22 130.39 -37.97 +REMARK 500 LEU B 68 81.99 -67.11 +REMARK 500 ARG B 69 26.17 -147.78 +REMARK 500 LYS B 141 89.33 -1.40 +REMARK 500 SER B 144 -62.88 -109.26 +REMARK 500 SER B 176 -170.27 69.39 +REMARK 500 HIS B 195 74.83 15.58 +REMARK 500 GLU B 197 -14.18 -48.88 +REMARK 500 THR B 198 13.44 -145.39 +REMARK 500 HIS B 211 33.43 -96.96 +REMARK 500 PHE B 212 -72.86 -161.98 +REMARK 500 LEU B 226 36.71 -84.32 +REMARK 500 THR B 229 -144.12 -70.00 +REMARK 500 +REMARK 500 THIS ENTRY HAS 75 RAMACHANDRAN OUTLIERS. +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 610 +REMARK 610 MISSING HETEROATOM +REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 610 I=INSERTION CODE): +REMARK 610 M RES C SSEQI +REMARK 610 PLM A 1410 +REMARK 610 PLM B 1407 +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN A 962 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU A 122 OE1 +REMARK 620 2 TRP A 126 NE1 70.8 +REMARK 620 3 MET A 163 O 154.9 93.8 +REMARK 620 4 HIS A 211 ND1 101.7 83.0 95.7 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN A2011 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS A 195 NE2 +REMARK 620 2 GLU A 197 OE1 91.2 +REMARK 620 N 1 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN A 957 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU A 201 OE1 +REMARK 620 2 GLU A 201 OE2 60.8 +REMARK 620 3 GLN A 279 NE2 165.9 109.0 +REMARK 620 N 1 2 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 HG A 901 HG +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 CYS A 264 SG +REMARK 620 2 THR A 297 OG1 77.9 +REMARK 620 N 1 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN A 959 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 LYS A 311 NZ +REMARK 620 2 ASP A 330 N 108.4 +REMARK 620 N 1 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 HG A 905 HG +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLN A 312 O +REMARK 620 2 CYS A 316 SG 80.0 +REMARK 620 3 HOH A2061 O 135.4 78.5 +REMARK 620 N 1 2 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 HG B 906 HG +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS B 65 ND1 +REMARK 620 2 CYS B 316 SG 140.2 +REMARK 620 3 THR B 336 O 136.5 73.1 +REMARK 620 4 VAL B 337 O 74.3 141.9 68.9 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN B 963 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 TRP B 126 NE1 +REMARK 620 2 HIS B 211 ND1 86.5 +REMARK 620 N 1 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN B 956 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS B 195 NE2 +REMARK 620 2 GLU B 197 OE1 85.9 +REMARK 620 N 1 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN B 958 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU B 201 OE2 +REMARK 620 2 GLU B 201 OE1 57.0 +REMARK 620 3 GLN B 279 NE2 84.0 139.4 +REMARK 620 N 1 2 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 1F88 RELATED DB: PDB +REMARK 900 RELATED ID: 1HZX RELATED DB: PDB +REMARK 900 RELATED ID: 1L9H RELATED DB: PDB +DBREF 1U19 A 1 348 UNP P02699 OPSD_BOVIN 1 348 +DBREF 1U19 B 1 348 UNP P02699 OPSD_BOVIN 1 348 +SEQRES 1 A 349 ACE MET ASN GLY THR GLU GLY PRO ASN PHE TYR VAL PRO +SEQRES 2 A 349 PHE SER ASN LYS THR GLY VAL VAL ARG SER PRO PHE GLU +SEQRES 3 A 349 ALA PRO GLN TYR TYR LEU ALA GLU PRO TRP GLN PHE SER +SEQRES 4 A 349 MET LEU ALA ALA TYR MET PHE LEU LEU ILE MET LEU GLY +SEQRES 5 A 349 PHE PRO ILE ASN PHE LEU THR LEU TYR VAL THR VAL GLN +SEQRES 6 A 349 HIS LYS LYS LEU ARG THR PRO LEU ASN TYR ILE LEU LEU +SEQRES 7 A 349 ASN LEU ALA VAL ALA ASP LEU PHE MET VAL PHE GLY GLY +SEQRES 8 A 349 PHE THR THR THR LEU TYR THR SER LEU HIS GLY TYR PHE +SEQRES 9 A 349 VAL PHE GLY PRO THR GLY CYS ASN LEU GLU GLY PHE PHE +SEQRES 10 A 349 ALA THR LEU GLY GLY GLU ILE ALA LEU TRP SER LEU VAL +SEQRES 11 A 349 VAL LEU ALA ILE GLU ARG TYR VAL VAL VAL CYS LYS PRO +SEQRES 12 A 349 MET SER ASN PHE ARG PHE GLY GLU ASN HIS ALA ILE MET +SEQRES 13 A 349 GLY VAL ALA PHE THR TRP VAL MET ALA LEU ALA CYS ALA +SEQRES 14 A 349 ALA PRO PRO LEU VAL GLY TRP SER ARG TYR ILE PRO GLU +SEQRES 15 A 349 GLY MET GLN CYS SER CYS GLY ILE ASP TYR TYR THR PRO +SEQRES 16 A 349 HIS GLU GLU THR ASN ASN GLU SER PHE VAL ILE TYR MET +SEQRES 17 A 349 PHE VAL VAL HIS PHE ILE ILE PRO LEU ILE VAL ILE PHE +SEQRES 18 A 349 PHE CYS TYR GLY GLN LEU VAL PHE THR VAL LYS GLU ALA +SEQRES 19 A 349 ALA ALA GLN GLN GLN GLU SER ALA THR THR GLN LYS ALA +SEQRES 20 A 349 GLU LYS GLU VAL THR ARG MET VAL ILE ILE MET VAL ILE +SEQRES 21 A 349 ALA PHE LEU ILE CYS TRP LEU PRO TYR ALA GLY VAL ALA +SEQRES 22 A 349 PHE TYR ILE PHE THR HIS GLN GLY SER ASP PHE GLY PRO +SEQRES 23 A 349 ILE PHE MET THR ILE PRO ALA PHE PHE ALA LYS THR SER +SEQRES 24 A 349 ALA VAL TYR ASN PRO VAL ILE TYR ILE MET MET ASN LYS +SEQRES 25 A 349 GLN PHE ARG ASN CYS MET VAL THR THR LEU CYS CYS GLY +SEQRES 26 A 349 LYS ASN PRO LEU GLY ASP ASP GLU ALA SER THR THR VAL +SEQRES 27 A 349 SER LYS THR GLU THR SER GLN VAL ALA PRO ALA +SEQRES 1 B 349 ACE MET ASN GLY THR GLU GLY PRO ASN PHE TYR VAL PRO +SEQRES 2 B 349 PHE SER ASN LYS THR GLY VAL VAL ARG SER PRO PHE GLU +SEQRES 3 B 349 ALA PRO GLN TYR TYR LEU ALA GLU PRO TRP GLN PHE SER +SEQRES 4 B 349 MET LEU ALA ALA TYR MET PHE LEU LEU ILE MET LEU GLY +SEQRES 5 B 349 PHE PRO ILE ASN PHE LEU THR LEU TYR VAL THR VAL GLN +SEQRES 6 B 349 HIS LYS LYS LEU ARG THR PRO LEU ASN TYR ILE LEU LEU +SEQRES 7 B 349 ASN LEU ALA VAL ALA ASP LEU PHE MET VAL PHE GLY GLY +SEQRES 8 B 349 PHE THR THR THR LEU TYR THR SER LEU HIS GLY TYR PHE +SEQRES 9 B 349 VAL PHE GLY PRO THR GLY CYS ASN LEU GLU GLY PHE PHE +SEQRES 10 B 349 ALA THR LEU GLY GLY GLU ILE ALA LEU TRP SER LEU VAL +SEQRES 11 B 349 VAL LEU ALA ILE GLU ARG TYR VAL VAL VAL CYS LYS PRO +SEQRES 12 B 349 MET SER ASN PHE ARG PHE GLY GLU ASN HIS ALA ILE MET +SEQRES 13 B 349 GLY VAL ALA PHE THR TRP VAL MET ALA LEU ALA CYS ALA +SEQRES 14 B 349 ALA PRO PRO LEU VAL GLY TRP SER ARG TYR ILE PRO GLU +SEQRES 15 B 349 GLY MET GLN CYS SER CYS GLY ILE ASP TYR TYR THR PRO +SEQRES 16 B 349 HIS GLU GLU THR ASN ASN GLU SER PHE VAL ILE TYR MET +SEQRES 17 B 349 PHE VAL VAL HIS PHE ILE ILE PRO LEU ILE VAL ILE PHE +SEQRES 18 B 349 PHE CYS TYR GLY GLN LEU VAL PHE THR VAL LYS GLU ALA +SEQRES 19 B 349 ALA ALA GLN GLN GLN GLU SER ALA THR THR GLN LYS ALA +SEQRES 20 B 349 GLU LYS GLU VAL THR ARG MET VAL ILE ILE MET VAL ILE +SEQRES 21 B 349 ALA PHE LEU ILE CYS TRP LEU PRO TYR ALA GLY VAL ALA +SEQRES 22 B 349 PHE TYR ILE PHE THR HIS GLN GLY SER ASP PHE GLY PRO +SEQRES 23 B 349 ILE PHE MET THR ILE PRO ALA PHE PHE ALA LYS THR SER +SEQRES 24 B 349 ALA VAL TYR ASN PRO VAL ILE TYR ILE MET MET ASN LYS +SEQRES 25 B 349 GLN PHE ARG ASN CYS MET VAL THR THR LEU CYS CYS GLY +SEQRES 26 B 349 LYS ASN PRO LEU GLY ASP ASP GLU ALA SER THR THR VAL +SEQRES 27 B 349 SER LYS THR GLU THR SER GLN VAL ALA PRO ALA +MODRES 1U19 ASN A 2 ASN GLYCOSYLATION SITE +MODRES 1U19 ASN A 15 ASN GLYCOSYLATION SITE +MODRES 1U19 ASN B 2 ASN GLYCOSYLATION SITE +MODRES 1U19 ASN B 15 ASN GLYCOSYLATION SITE +HET ACE A 0 3 +HET ACE B 0 3 +HET NAG C 1 14 +HET NAG C 2 14 +HET MAN C 3 11 +HET NAG D 1 14 +HET NAG D 2 14 +HET NAG E 1 14 +HET NAG E 2 14 +HET BMA E 3 11 +HET BMA E 4 11 +HET NAG F 1 14 +HET NAG F 2 14 +HET HG A 901 1 +HET HG A 903 1 +HET HG A 905 1 +HET ZN A 957 1 +HET ZN A 959 1 +HET ZN A 962 1 +HET ZN A2011 1 +HET RET A1296 20 +HET PLM A1322 17 +HET PLM A1323 17 +HET PLM A1410 16 +HET HTG A1507 19 +HET HG B 902 1 +HET HG B 904 1 +HET HG B 906 1 +HET ZN B 956 1 +HET ZN B 958 1 +HET ZN B 963 1 +HET RET B1296 20 +HET PLM B1322 17 +HET PLM B1323 17 +HET HTO B1401 10 +HET PLM B1407 16 +HET HTG B1506 19 +HET HTG B1508 19 +HET HTG B1509 19 +HETNAM ACE ACETYL GROUP +HETNAM NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE +HETNAM MAN ALPHA-D-MANNOPYRANOSE +HETNAM BMA BETA-D-MANNOPYRANOSE +HETNAM HG MERCURY (II) ION +HETNAM ZN ZINC ION +HETNAM RET RETINAL +HETNAM PLM PALMITIC ACID +HETNAM HTG HEPTYL 1-THIO-BETA-D-GLUCOPYRANOSIDE +HETNAM HTO HEPTANE-1,2,3-TRIOL +HETSYN NAG N-ACETYL-BETA-D-GLUCOSAMINE; 2-ACETAMIDO-2-DEOXY-BETA- +HETSYN 2 NAG D-GLUCOSE; 2-ACETAMIDO-2-DEOXY-D-GLUCOSE; 2-ACETAMIDO- +HETSYN 3 NAG 2-DEOXY-GLUCOSE; N-ACETYL-D-GLUCOSAMINE +HETSYN MAN ALPHA-D-MANNOSE; D-MANNOSE; MANNOSE +HETSYN BMA BETA-D-MANNOSE; D-MANNOSE; MANNOSE +HETSYN HTG HEPTYL 1-THIOHEXOPYRANOSIDE; HEPTYL 1-THIO-BETA-D- +HETSYN 2 HTG GLUCOSIDE; HEPTYL 1-THIO-D-GLUCOSIDE; HEPTYL 1-THIO- +HETSYN 3 HTG GLUCOSIDE +FORMUL 1 ACE 2(C2 H4 O) +FORMUL 3 NAG 8(C8 H15 N O6) +FORMUL 3 MAN C6 H12 O6 +FORMUL 5 BMA 2(C6 H12 O6) +FORMUL 7 HG 6(HG 2+) +FORMUL 10 ZN 7(ZN 2+) +FORMUL 14 RET 2(C20 H28 O) +FORMUL 15 PLM 6(C16 H32 O2) +FORMUL 18 HTG 4(C13 H26 O5 S) +FORMUL 28 HTO C7 H16 O3 +FORMUL 33 HOH *66(H2 O) +HELIX 1 1 GLU A 33 HIS A 65 1 33 +HELIX 2 2 THR A 70 GLY A 90 1 21 +HELIX 3 3 GLY A 90 GLY A 101 1 12 +HELIX 4 4 PHE A 105 CYS A 140 1 36 +HELIX 5 5 GLY A 149 ALA A 169 1 21 +HELIX 6 6 PRO A 170 VAL A 173 5 4 +HELIX 7 7 HIS A 195 THR A 198 5 4 +HELIX 8 8 ASN A 199 HIS A 211 1 13 +HELIX 9 9 PHE A 212 GLY A 224 1 13 +HELIX 10 10 ALA A 241 HIS A 278 1 38 +HELIX 11 11 GLY A 284 ALA A 295 1 12 +HELIX 12 12 LYS A 296 ALA A 299 5 4 +HELIX 13 13 VAL A 300 MET A 309 1 10 +HELIX 14 14 ASN A 310 CYS A 322 1 13 +HELIX 15 15 GLU B 33 HIS B 65 1 33 +HELIX 16 16 THR B 70 GLY B 90 1 21 +HELIX 17 17 GLY B 90 GLY B 101 1 12 +HELIX 18 18 PHE B 105 CYS B 140 1 36 +HELIX 19 19 GLY B 149 ALA B 169 1 21 +HELIX 20 20 PRO B 170 VAL B 173 5 4 +HELIX 21 21 HIS B 195 THR B 198 5 4 +HELIX 22 22 ASN B 199 VAL B 210 1 12 +HELIX 23 23 PHE B 212 LEU B 226 1 15 +HELIX 24 24 ALA B 241 ALA B 246 1 6 +HELIX 25 25 GLU B 247 THR B 277 1 31 +HELIX 26 26 GLY B 284 LYS B 296 1 13 +HELIX 27 27 THR B 297 ALA B 299 5 3 +HELIX 28 28 VAL B 300 ASN B 310 1 11 +HELIX 29 29 ASN B 310 CYS B 322 1 13 +SHEET 1 A 2 THR A 4 GLU A 5 0 +SHEET 2 A 2 TYR A 10 VAL A 11 -1 O VAL A 11 N THR A 4 +SHEET 1 B 2 ILE A 179 GLU A 181 0 +SHEET 2 B 2 SER A 186 GLY A 188 -1 O GLY A 188 N ILE A 179 +SHEET 1 C 2 THR B 4 GLU B 5 0 +SHEET 2 C 2 TYR B 10 VAL B 11 -1 O VAL B 11 N THR B 4 +SHEET 1 D 2 TYR B 178 GLU B 181 0 +SHEET 2 D 2 SER B 186 ILE B 189 -1 O GLY B 188 N ILE B 179 +SSBOND 1 CYS A 110 CYS A 187 1555 1555 2.02 +SSBOND 2 CYS B 110 CYS B 187 1555 1555 2.03 +LINK C ACE A 0 N MET A 1 1555 1555 1.35 +LINK ND2 ASN A 2 C1 NAG D 1 1555 1555 1.44 +LINK ND2 ASN A 15 C1 NAG C 1 1555 1555 1.45 +LINK NZ LYS A 296 C15 RET A1296 1555 1555 1.33 +LINK SG CYS A 322 C1 PLM A1322 1555 1555 1.86 +LINK SG CYS A 323 C1 PLM A1323 1555 1555 1.89 +LINK C ACE B 0 N MET B 1 1555 1555 1.35 +LINK ND2 ASN B 2 C1 NAG F 1 1555 1555 1.45 +LINK ND2 ASN B 15 C1 NAG E 1 1555 1555 1.44 +LINK NZ LYS B 296 C15 RET B1296 1555 1555 1.34 +LINK SG CYS B 322 C1 PLM B1322 1555 1555 1.89 +LINK SG CYS B 323 C1 PLM B1323 1555 1555 1.90 +LINK O4 NAG C 1 C1 NAG C 2 1555 1555 1.40 +LINK O4 NAG C 2 C1 MAN C 3 1555 1555 1.40 +LINK O4 NAG D 1 C1 NAG D 2 1555 1555 1.38 +LINK O4 NAG E 1 C1 NAG E 2 1555 1555 1.38 +LINK O4 NAG E 2 C1 BMA E 3 1555 1555 1.38 +LINK O3 BMA E 3 C1 BMA E 4 1555 1555 1.40 +LINK O4 NAG F 1 C1 NAG F 2 1555 1555 1.39 +LINK OE1 GLU A 122 ZN ZN A 962 1555 1555 2.61 +LINK NE1 TRP A 126 ZN ZN A 962 1555 1555 2.67 +LINK O MET A 163 ZN ZN A 962 1555 1555 2.67 +LINK NE2 HIS A 195 ZN ZN A2011 1555 1555 2.20 +LINK OE1 GLU A 197 ZN ZN A2011 1555 1555 2.41 +LINK OE1 GLU A 201 ZN ZN A 957 1555 1555 2.31 +LINK OE2 GLU A 201 ZN ZN A 957 1555 1555 2.00 +LINK ND1 HIS A 211 ZN ZN A 962 1555 1555 2.43 +LINK SG CYS A 222 HG HG A 903 1555 1555 2.35 +LINK SG CYS A 264 HG HG A 901 1555 1555 2.82 +LINK NE2 GLN A 279 ZN ZN A 957 1555 1555 1.72 +LINK OG1 THR A 297 HG HG A 901 1555 1555 3.08 +LINK NZ LYS A 311 ZN ZN A 959 1555 1555 1.83 +LINK O GLN A 312 HG HG A 905 1555 1555 3.17 +LINK SG CYS A 316 HG HG A 905 1555 1555 2.47 +LINK N ASP A 330 ZN ZN A 959 1555 1555 2.43 +LINK HG HG A 905 O HOH A2061 1555 1555 2.60 +LINK ND1 HIS B 65 HG HG B 906 1555 1555 2.72 +LINK NE1 TRP B 126 ZN ZN B 963 1555 1555 2.47 +LINK NE2 HIS B 195 ZN ZN B 956 1555 1555 2.06 +LINK OE1 GLU B 197 ZN ZN B 956 1555 1555 2.09 +LINK OE2 GLU B 201 ZN ZN B 958 1555 1555 2.15 +LINK OE1 GLU B 201 ZN ZN B 958 1555 1555 2.43 +LINK ND1 HIS B 211 ZN ZN B 963 1555 1555 2.44 +LINK SG CYS B 264 HG HG B 902 1555 1555 2.68 +LINK NE2 GLN B 279 ZN ZN B 958 1555 1555 1.85 +LINK SG CYS B 316 HG HG B 906 1555 1555 2.37 +LINK O THR B 336 HG HG B 906 1555 1555 2.05 +LINK O VAL B 337 HG HG B 906 1555 1555 1.99 +CRYST1 96.680 96.680 150.200 90.00 90.00 90.00 P 41 8 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.010343 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.010343 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.006658 0.00000 +HETATM 1 C ACE A 0 53.553 -7.050 35.606 1.00 0.00 C +HETATM 2 O ACE A 0 52.916 -7.860 34.934 1.00 0.00 O +HETATM 3 CH3 ACE A 0 54.727 -7.523 36.434 1.00 0.00 C +ATOM 4 N MET A 1 53.284 -5.731 35.670 1.00 0.22 N +ATOM 5 CA MET A 1 52.214 -5.077 34.913 1.00 0.22 C +ATOM 6 C MET A 1 52.674 -4.891 33.485 1.00 0.22 C +ATOM 7 O MET A 1 53.849 -4.563 33.283 1.00 0.22 O +ATOM 8 CB MET A 1 51.887 -3.719 35.536 1.00 0.22 C +ATOM 9 CG MET A 1 51.426 -3.792 36.982 1.00 0.22 C +ATOM 10 SD MET A 1 49.945 -4.797 37.183 1.00 0.22 S +ATOM 11 CE MET A 1 48.647 -3.745 36.534 1.00 0.22 C +ATOM 12 N ASN A 2 51.781 -5.083 32.508 1.00 0.08 N +ATOM 13 CA ASN A 2 52.150 -4.950 31.087 1.00 0.08 C +ATOM 14 C ASN A 2 52.395 -3.519 30.683 1.00 0.08 C +ATOM 15 O ASN A 2 53.065 -3.284 29.678 1.00 0.08 O +ATOM 16 CB ASN A 2 51.073 -5.523 30.174 1.00 0.08 C +ATOM 17 CG ASN A 2 50.985 -7.005 30.265 1.00 0.08 C +ATOM 18 OD1 ASN A 2 51.963 -7.709 30.034 1.00 0.08 O +ATOM 19 ND2 ASN A 2 49.803 -7.490 30.614 1.00 0.08 N +ATOM 20 N GLY A 3 51.852 -2.565 31.430 1.00 0.07 N +ATOM 21 CA GLY A 3 52.066 -1.173 31.079 1.00 0.07 C +ATOM 22 C GLY A 3 52.411 -0.330 32.284 1.00 0.07 C +ATOM 23 O GLY A 3 52.493 -0.830 33.401 1.00 0.07 O +ATOM 24 N THR A 4 52.612 0.959 32.058 1.00 0.19 N +ATOM 25 CA THR A 4 52.934 1.847 33.150 1.00 0.19 C +ATOM 26 C THR A 4 51.822 2.840 33.331 1.00 0.19 C +ATOM 27 O THR A 4 51.792 3.855 32.649 1.00 0.19 O +ATOM 28 CB THR A 4 54.234 2.605 32.893 1.00 0.19 C +ATOM 29 OG1 THR A 4 55.307 1.673 32.708 1.00 0.19 O +ATOM 30 CG2 THR A 4 54.550 3.501 34.066 1.00 0.19 C +ATOM 31 N GLU A 5 50.892 2.538 34.230 1.00 0.02 N +ATOM 32 CA GLU A 5 49.806 3.456 34.501 1.00 0.02 C +ATOM 33 C GLU A 5 50.366 4.630 35.284 1.00 0.02 C +ATOM 34 O GLU A 5 51.260 4.459 36.117 1.00 0.02 O +ATOM 35 CB GLU A 5 48.692 2.777 35.311 1.00 0.02 C +ATOM 36 CG GLU A 5 47.593 3.735 35.718 1.00 0.02 C +ATOM 37 CD GLU A 5 46.549 3.105 36.608 1.00 0.02 C +ATOM 38 OE1 GLU A 5 46.928 2.306 37.491 1.00 0.02 O +ATOM 39 OE2 GLU A 5 45.349 3.422 36.446 1.00 0.02 O +ATOM 40 N GLY A 6 49.862 5.825 34.990 1.00 0.36 N +ATOM 41 CA GLY A 6 50.272 7.030 35.685 1.00 0.36 C +ATOM 42 C GLY A 6 48.999 7.650 36.225 1.00 0.36 C +ATOM 43 O GLY A 6 47.890 7.161 35.969 1.00 0.36 O +ATOM 44 N PRO A 7 49.108 8.730 36.986 1.00 0.40 N +ATOM 45 CA PRO A 7 47.863 9.320 37.505 1.00 0.40 C +ATOM 46 C PRO A 7 47.119 10.088 36.431 1.00 0.40 C +ATOM 47 O PRO A 7 45.931 10.411 36.548 1.00 0.40 O +ATOM 48 CB PRO A 7 48.370 10.237 38.618 1.00 0.40 C +ATOM 49 CG PRO A 7 49.761 10.634 38.120 1.00 0.40 C +ATOM 50 CD PRO A 7 50.312 9.369 37.548 1.00 0.40 C +ATOM 51 N ASN A 8 47.841 10.286 35.344 1.00 0.19 N +ATOM 52 CA ASN A 8 47.426 11.107 34.234 1.00 0.19 C +ATOM 53 C ASN A 8 47.567 10.424 32.892 1.00 0.19 C +ATOM 54 O ASN A 8 47.100 10.977 31.880 1.00 0.19 O +ATOM 55 CB ASN A 8 48.379 12.268 34.238 1.00 0.19 C +ATOM 56 CG ASN A 8 47.731 13.509 33.908 1.00 0.19 C +ATOM 57 OD1 ASN A 8 48.398 14.520 33.753 1.00 0.19 O +ATOM 58 ND2 ASN A 8 46.399 13.482 33.800 1.00 0.19 N +ATOM 59 N PHE A 9 48.231 9.266 32.874 1.00 0.48 N +ATOM 60 CA PHE A 9 48.540 8.536 31.639 1.00 0.48 C +ATOM 61 C PHE A 9 48.580 7.025 31.835 1.00 0.48 C +ATOM 62 O PHE A 9 48.221 6.505 32.882 1.00 0.48 O +ATOM 63 CB PHE A 9 49.918 8.966 31.158 1.00 0.48 C +ATOM 64 CG PHE A 9 51.008 8.757 32.190 1.00 0.48 C +ATOM 65 CD1 PHE A 9 51.316 9.755 33.112 1.00 0.48 C +ATOM 66 CD2 PHE A 9 51.703 7.551 32.256 1.00 0.48 C +ATOM 67 CE1 PHE A 9 52.306 9.555 34.090 1.00 0.48 C +ATOM 68 CE2 PHE A 9 52.692 7.343 33.228 1.00 0.48 C +ATOM 69 CZ PHE A 9 52.993 8.348 34.146 1.00 0.48 C +ATOM 70 N TYR A 10 49.050 6.338 30.797 1.00 0.22 N +ATOM 71 CA TYR A 10 49.199 4.888 30.789 1.00 0.22 C +ATOM 72 C TYR A 10 50.099 4.537 29.625 1.00 0.22 C +ATOM 73 O TYR A 10 49.626 4.418 28.500 1.00 0.22 O +ATOM 74 CB TYR A 10 47.841 4.184 30.619 1.00 0.22 C +ATOM 75 CG TYR A 10 47.953 2.680 30.679 1.00 0.22 C +ATOM 76 CD1 TYR A 10 48.026 2.018 31.909 1.00 0.22 C +ATOM 77 CD2 TYR A 10 48.070 1.917 29.510 1.00 0.22 C +ATOM 78 CE1 TYR A 10 48.216 0.634 31.976 1.00 0.22 C +ATOM 79 CE2 TYR A 10 48.259 0.537 29.568 1.00 0.22 C +ATOM 80 CZ TYR A 10 48.330 -0.093 30.806 1.00 0.22 C +ATOM 81 OH TYR A 10 48.496 -1.451 30.889 1.00 0.22 O +ATOM 82 N VAL A 11 51.395 4.393 29.871 1.00 0.15 N +ATOM 83 CA VAL A 11 52.287 4.053 28.779 1.00 0.15 C +ATOM 84 C VAL A 11 52.197 2.565 28.521 1.00 0.15 C +ATOM 85 O VAL A 11 52.307 1.777 29.448 1.00 0.15 O +ATOM 86 CB VAL A 11 53.758 4.442 29.079 1.00 0.15 C +ATOM 87 CG1 VAL A 11 54.618 4.187 27.848 1.00 0.15 C +ATOM 88 CG2 VAL A 11 53.847 5.904 29.466 1.00 0.15 C +ATOM 89 N PRO A 12 51.963 2.171 27.257 1.00 0.00 N +ATOM 90 CA PRO A 12 51.848 0.771 26.838 1.00 0.00 C +ATOM 91 C PRO A 12 53.239 0.155 26.770 1.00 0.00 C +ATOM 92 O PRO A 12 53.647 -0.401 25.736 1.00 0.00 O +ATOM 93 CB PRO A 12 51.162 0.889 25.474 1.00 0.00 C +ATOM 94 CG PRO A 12 51.713 2.158 24.938 1.00 0.00 C +ATOM 95 CD PRO A 12 51.725 3.083 26.118 1.00 0.00 C +ATOM 96 N PHE A 13 53.950 0.261 27.891 1.00 0.88 N +ATOM 97 CA PHE A 13 55.333 -0.212 28.016 1.00 0.88 C +ATOM 98 C PHE A 13 55.626 -0.516 29.474 1.00 0.88 C +ATOM 99 O PHE A 13 55.219 0.232 30.362 1.00 0.88 O +ATOM 100 CB PHE A 13 56.288 0.887 27.537 1.00 0.88 C +ATOM 101 CG PHE A 13 57.681 0.418 27.230 1.00 0.88 C +ATOM 102 CD1 PHE A 13 57.982 -0.149 25.984 1.00 0.88 C +ATOM 103 CD2 PHE A 13 58.708 0.603 28.151 1.00 0.88 C +ATOM 104 CE1 PHE A 13 59.290 -0.516 25.652 1.00 0.88 C +ATOM 105 CE2 PHE A 13 60.016 0.241 27.835 1.00 0.88 C +ATOM 106 CZ PHE A 13 60.311 -0.319 26.581 1.00 0.88 C +ATOM 107 N SER A 14 56.354 -1.599 29.707 1.00 0.52 N +ATOM 108 CA SER A 14 56.692 -2.019 31.054 1.00 0.52 C +ATOM 109 C SER A 14 57.785 -1.128 31.617 1.00 0.52 C +ATOM 110 O SER A 14 58.592 -0.602 30.850 1.00 0.52 O +ATOM 111 CB SER A 14 57.167 -3.471 31.024 1.00 0.52 C +ATOM 112 OG SER A 14 57.246 -4.016 32.331 1.00 0.52 O +ATOM 113 N ASN A 15 57.810 -0.956 32.939 1.00 0.92 N +ATOM 114 CA ASN A 15 58.832 -0.135 33.587 1.00 0.92 C +ATOM 115 C ASN A 15 59.731 -1.029 34.442 1.00 0.92 C +ATOM 116 O ASN A 15 60.247 -0.577 35.471 1.00 0.92 O +ATOM 117 CB ASN A 15 58.179 0.945 34.454 1.00 0.92 C +ATOM 118 CG ASN A 15 59.129 2.060 34.782 1.00 0.92 C +ATOM 119 OD1 ASN A 15 59.832 2.525 33.907 1.00 0.92 O +ATOM 120 ND2 ASN A 15 59.162 2.507 36.028 1.00 0.92 N +ATOM 121 N LYS A 16 59.905 -2.287 34.011 1.00 0.16 N +ATOM 122 CA LYS A 16 60.736 -3.271 34.718 1.00 0.16 C +ATOM 123 C LYS A 16 62.155 -2.805 34.704 1.00 0.16 C +ATOM 124 O LYS A 16 62.926 -3.142 35.605 1.00 0.16 O +ATOM 125 CB LYS A 16 60.673 -4.654 34.057 1.00 0.16 C +ATOM 126 CG LYS A 16 61.525 -5.686 34.800 1.00 0.16 C +ATOM 127 CD LYS A 16 61.731 -7.015 34.055 1.00 0.16 C +ATOM 128 CE LYS A 16 62.625 -7.964 34.882 1.00 0.16 C +ATOM 129 NZ LYS A 16 62.719 -9.361 34.344 1.00 0.16 N +ATOM 130 N THR A 17 62.505 -2.039 33.681 1.00 0.08 N +ATOM 131 CA THR A 17 63.848 -1.499 33.561 1.00 0.08 C +ATOM 132 C THR A 17 63.832 -0.043 33.975 1.00 0.08 C +ATOM 133 O THR A 17 64.803 0.688 33.740 1.00 0.08 O +ATOM 134 CB THR A 17 64.328 -1.586 32.141 1.00 0.08 C +ATOM 135 OG1 THR A 17 63.554 -0.691 31.322 1.00 0.08 O +ATOM 136 CG2 THR A 17 64.176 -3.017 31.650 1.00 0.08 C +ATOM 137 N GLY A 18 62.723 0.374 34.580 1.00 0.00 N +ATOM 138 CA GLY A 18 62.572 1.744 35.044 1.00 0.00 C +ATOM 139 C GLY A 18 62.947 2.804 34.031 1.00 0.00 C +ATOM 140 O GLY A 18 63.367 3.885 34.408 1.00 0.00 O +ATOM 141 N VAL A 19 62.776 2.495 32.750 1.00 0.04 N +ATOM 142 CA VAL A 19 63.112 3.416 31.681 1.00 0.04 C +ATOM 143 C VAL A 19 61.884 4.252 31.278 1.00 0.04 C +ATOM 144 O VAL A 19 62.037 5.215 30.556 1.00 0.04 O +ATOM 145 CB VAL A 19 63.685 2.624 30.456 1.00 0.04 C +ATOM 146 CG1 VAL A 19 62.599 1.837 29.786 1.00 0.04 C +ATOM 147 CG2 VAL A 19 64.329 3.553 29.470 1.00 0.04 C +ATOM 148 N VAL A 20 60.694 3.915 31.768 1.00 0.00 N +ATOM 149 CA VAL A 20 59.478 4.646 31.398 1.00 0.00 C +ATOM 150 C VAL A 20 59.423 6.007 32.066 1.00 0.00 C +ATOM 151 O VAL A 20 59.819 6.127 33.209 1.00 0.00 O +ATOM 152 CB VAL A 20 58.205 3.833 31.756 1.00 0.00 C +ATOM 153 CG1 VAL A 20 56.961 4.658 31.467 1.00 0.00 C +ATOM 154 CG2 VAL A 20 58.164 2.530 30.955 1.00 0.00 C +ATOM 155 N ARG A 21 58.911 7.015 31.352 1.00 0.38 N +ATOM 156 CA ARG A 21 58.828 8.402 31.848 1.00 0.38 C +ATOM 157 C ARG A 21 57.547 9.106 31.407 1.00 0.38 C +ATOM 158 O ARG A 21 57.187 8.988 30.241 1.00 0.38 O +ATOM 159 CB ARG A 21 60.010 9.191 31.307 1.00 0.38 C +ATOM 160 CG ARG A 21 61.353 8.607 31.683 1.00 0.38 C +ATOM 161 CD ARG A 21 62.197 9.698 32.291 1.00 0.38 C +ATOM 162 NE ARG A 21 61.432 10.420 33.309 1.00 0.38 N +ATOM 163 CZ ARG A 21 61.717 11.653 33.734 1.00 0.38 C +ATOM 164 NH1 ARG A 21 62.763 12.312 33.223 1.00 0.38 N +ATOM 165 NH2 ARG A 21 60.949 12.233 34.666 1.00 0.38 N +ATOM 166 N SER A 22 56.903 9.862 32.305 1.00 0.25 N +ATOM 167 CA SER A 22 55.651 10.597 32.008 1.00 0.25 C +ATOM 168 C SER A 22 55.704 11.282 30.658 1.00 0.25 C +ATOM 169 O SER A 22 56.594 12.087 30.430 1.00 0.25 O +ATOM 170 CB SER A 22 55.389 11.662 33.072 1.00 0.25 C +ATOM 171 OG SER A 22 54.229 12.418 32.757 1.00 0.25 O +ATOM 172 N PRO A 23 54.732 11.009 29.760 1.00 0.01 N +ATOM 173 CA PRO A 23 54.726 11.630 28.430 1.00 0.01 C +ATOM 174 C PRO A 23 54.341 13.082 28.483 1.00 0.01 C +ATOM 175 O PRO A 23 54.016 13.667 27.469 1.00 0.01 O +ATOM 176 CB PRO A 23 53.735 10.777 27.663 1.00 0.01 C +ATOM 177 CG PRO A 23 52.723 10.464 28.702 1.00 0.01 C +ATOM 178 CD PRO A 23 53.532 10.174 29.948 1.00 0.01 C +ATOM 179 N PHE A 24 54.360 13.647 29.686 1.00 0.30 N +ATOM 180 CA PHE A 24 54.078 15.063 29.913 1.00 0.30 C +ATOM 181 C PHE A 24 55.315 15.645 30.541 1.00 0.30 C +ATOM 182 O PHE A 24 55.250 16.738 31.071 1.00 0.30 O +ATOM 183 CB PHE A 24 52.938 15.260 30.909 1.00 0.30 C +ATOM 184 CG PHE A 24 51.590 14.858 30.397 1.00 0.30 C +ATOM 185 CD1 PHE A 24 51.072 15.428 29.239 1.00 0.30 C +ATOM 186 CD2 PHE A 24 50.818 13.943 31.102 1.00 0.30 C +ATOM 187 CE1 PHE A 24 49.808 15.099 28.794 1.00 0.30 C +ATOM 188 CE2 PHE A 24 49.552 13.605 30.665 1.00 0.30 C +ATOM 189 CZ PHE A 24 49.046 14.186 29.508 1.00 0.30 C +ATOM 190 N GLU A 25 56.429 14.918 30.486 1.00 0.56 N +ATOM 191 CA GLU A 25 57.647 15.378 31.113 1.00 0.56 C +ATOM 192 C GLU A 25 58.918 14.995 30.361 1.00 0.56 C +ATOM 193 O GLU A 25 59.924 15.683 30.529 1.00 0.56 O +ATOM 194 CB GLU A 25 57.708 14.825 32.526 1.00 0.56 C +ATOM 195 CG GLU A 25 56.917 15.584 33.548 1.00 0.56 C +ATOM 196 CD GLU A 25 56.531 14.693 34.719 1.00 0.56 C +ATOM 197 OE1 GLU A 25 57.301 13.750 35.062 1.00 0.56 O +ATOM 198 OE2 GLU A 25 55.446 14.935 35.303 1.00 0.56 O +ATOM 199 N ALA A 26 58.924 13.930 29.564 1.00 0.14 N +ATOM 200 CA ALA A 26 60.165 13.571 28.858 1.00 0.14 C +ATOM 201 C ALA A 26 59.896 12.837 27.550 1.00 0.14 C +ATOM 202 O ALA A 26 58.817 12.291 27.380 1.00 0.14 O +ATOM 203 CB ALA A 26 61.046 12.712 29.765 1.00 0.14 C +ATOM 204 N PRO A 27 60.866 12.836 26.606 1.00 0.33 N +ATOM 205 CA PRO A 27 60.715 12.152 25.320 1.00 0.33 C +ATOM 206 C PRO A 27 60.406 10.708 25.576 1.00 0.33 C +ATOM 207 O PRO A 27 60.808 10.194 26.609 1.00 0.33 O +ATOM 208 CB PRO A 27 62.080 12.331 24.674 1.00 0.33 C +ATOM 209 CG PRO A 27 62.468 13.651 25.137 1.00 0.33 C +ATOM 210 CD PRO A 27 62.109 13.619 26.604 1.00 0.33 C +ATOM 211 N GLN A 28 59.715 10.059 24.641 1.00 0.08 N +ATOM 212 CA GLN A 28 59.331 8.658 24.776 1.00 0.08 C +ATOM 213 C GLN A 28 60.120 7.781 23.799 1.00 0.08 C +ATOM 214 O GLN A 28 59.625 6.738 23.392 1.00 0.08 O +ATOM 215 CB GLN A 28 57.828 8.535 24.505 1.00 0.08 C +ATOM 216 CG GLN A 28 56.966 9.492 25.319 1.00 0.08 C +ATOM 217 CD GLN A 28 56.926 9.146 26.804 1.00 0.08 C +ATOM 218 OE1 GLN A 28 56.602 8.027 27.172 1.00 0.08 O +ATOM 219 NE2 GLN A 28 57.247 10.108 27.660 1.00 0.08 N +ATOM 220 N TYR A 29 61.344 8.173 23.459 1.00 0.34 N +ATOM 221 CA TYR A 29 62.138 7.425 22.485 1.00 0.34 C +ATOM 222 C TYR A 29 62.484 6.064 22.939 1.00 0.34 C +ATOM 223 O TYR A 29 63.082 5.310 22.189 1.00 0.34 O +ATOM 224 CB TYR A 29 63.405 8.189 22.124 1.00 0.34 C +ATOM 225 CG TYR A 29 63.067 9.537 21.556 1.00 0.34 C +ATOM 226 CD1 TYR A 29 61.981 9.687 20.703 1.00 0.34 C +ATOM 227 CD2 TYR A 29 63.785 10.669 21.913 1.00 0.34 C +ATOM 228 CE1 TYR A 29 61.609 10.919 20.227 1.00 0.34 C +ATOM 229 CE2 TYR A 29 63.422 11.917 21.435 1.00 0.34 C +ATOM 230 CZ TYR A 29 62.330 12.036 20.592 1.00 0.34 C +ATOM 231 OH TYR A 29 61.960 13.271 20.101 1.00 0.34 O +ATOM 232 N TYR A 30 62.125 5.725 24.159 1.00 4.96 N +ATOM 233 CA TYR A 30 62.433 4.402 24.617 1.00 4.96 C +ATOM 234 C TYR A 30 61.305 3.496 24.187 1.00 4.96 C +ATOM 235 O TYR A 30 61.389 2.304 24.393 1.00 4.96 O +ATOM 236 CB TYR A 30 62.600 4.419 26.136 1.00 4.96 C +ATOM 237 CG TYR A 30 61.363 4.854 26.851 1.00 4.96 C +ATOM 238 CD1 TYR A 30 60.302 3.979 27.005 1.00 4.96 C +ATOM 239 CD2 TYR A 30 61.223 6.153 27.324 1.00 4.96 C +ATOM 240 CE1 TYR A 30 59.129 4.378 27.603 1.00 4.96 C +ATOM 241 CE2 TYR A 30 60.041 6.569 27.936 1.00 4.96 C +ATOM 242 CZ TYR A 30 58.999 5.666 28.066 1.00 4.96 C +ATOM 243 OH TYR A 30 57.805 6.014 28.647 1.00 4.96 O +ATOM 244 N LEU A 31 60.262 4.072 23.589 1.00 0.08 N +ATOM 245 CA LEU A 31 59.087 3.329 23.116 1.00 0.08 C +ATOM 246 C LEU A 31 59.256 2.971 21.676 1.00 0.08 C +ATOM 247 O LEU A 31 58.658 2.005 21.199 1.00 0.08 O +ATOM 248 CB LEU A 31 57.832 4.188 23.165 1.00 0.08 C +ATOM 249 CG LEU A 31 57.191 4.654 24.449 1.00 0.08 C +ATOM 250 CD1 LEU A 31 55.960 5.418 24.083 1.00 0.08 C +ATOM 251 CD2 LEU A 31 56.826 3.480 25.315 1.00 0.08 C +ATOM 252 N ALA A 32 60.037 3.786 20.978 1.00 0.01 N +ATOM 253 CA ALA A 32 60.261 3.617 19.558 1.00 0.01 C +ATOM 254 C ALA A 32 61.471 4.419 19.137 1.00 0.01 C +ATOM 255 O ALA A 32 61.936 5.278 19.885 1.00 0.01 O +ATOM 256 CB ALA A 32 59.030 4.098 18.803 1.00 0.01 C +ATOM 257 N GLU A 33 61.964 4.152 17.932 1.00 0.25 N +ATOM 258 CA GLU A 33 63.119 4.851 17.385 1.00 0.25 C +ATOM 259 C GLU A 33 62.800 6.314 17.187 1.00 0.25 C +ATOM 260 O GLU A 33 61.661 6.665 16.872 1.00 0.25 O +ATOM 261 CB GLU A 33 63.494 4.241 16.045 1.00 0.25 C +ATOM 262 CG GLU A 33 63.499 2.755 16.104 1.00 0.25 C +ATOM 263 CD GLU A 33 64.373 2.274 17.232 1.00 0.25 C +ATOM 264 OE1 GLU A 33 65.610 2.358 17.067 1.00 0.25 O +ATOM 265 OE2 GLU A 33 63.833 1.838 18.285 1.00 0.25 O +ATOM 266 N PRO A 34 63.793 7.197 17.374 1.00 2.18 N +ATOM 267 CA PRO A 34 63.543 8.626 17.189 1.00 2.18 C +ATOM 268 C PRO A 34 63.112 9.007 15.777 1.00 2.18 C +ATOM 269 O PRO A 34 62.327 9.949 15.614 1.00 2.18 O +ATOM 270 CB PRO A 34 64.869 9.251 17.599 1.00 2.18 C +ATOM 271 CG PRO A 34 65.290 8.358 18.716 1.00 2.18 C +ATOM 272 CD PRO A 34 65.045 6.987 18.127 1.00 2.18 C +ATOM 273 N TRP A 35 63.589 8.287 14.765 1.00 0.10 N +ATOM 274 CA TRP A 35 63.213 8.603 13.389 1.00 0.10 C +ATOM 275 C TRP A 35 61.724 8.407 13.166 1.00 0.10 C +ATOM 276 O TRP A 35 61.135 9.090 12.330 1.00 0.10 O +ATOM 277 CB TRP A 35 63.991 7.742 12.390 1.00 0.10 C +ATOM 278 CG TRP A 35 63.684 6.279 12.420 1.00 0.10 C +ATOM 279 CD1 TRP A 35 64.343 5.317 13.124 1.00 0.10 C +ATOM 280 CD2 TRP A 35 62.660 5.605 11.681 1.00 0.10 C +ATOM 281 NE1 TRP A 35 63.798 4.078 12.866 1.00 0.10 N +ATOM 282 CE2 TRP A 35 62.763 4.229 11.983 1.00 0.10 C +ATOM 283 CE3 TRP A 35 61.668 6.030 10.792 1.00 0.10 C +ATOM 284 CZ2 TRP A 35 61.914 3.277 11.428 1.00 0.10 C +ATOM 285 CZ3 TRP A 35 60.822 5.082 10.240 1.00 0.10 C +ATOM 286 CH2 TRP A 35 60.951 3.721 10.560 1.00 0.10 C +ATOM 287 N GLN A 36 61.123 7.482 13.904 1.00 0.82 N +ATOM 288 CA GLN A 36 59.707 7.207 13.778 1.00 0.82 C +ATOM 289 C GLN A 36 58.915 8.385 14.301 1.00 0.82 C +ATOM 290 O GLN A 36 57.848 8.663 13.803 1.00 0.82 O +ATOM 291 CB GLN A 36 59.390 5.919 14.526 1.00 0.82 C +ATOM 292 CG GLN A 36 60.213 4.738 13.997 1.00 0.82 C +ATOM 293 CD GLN A 36 59.927 3.422 14.708 1.00 0.82 C +ATOM 294 OE1 GLN A 36 60.240 3.254 15.883 1.00 0.82 O +ATOM 295 NE2 GLN A 36 59.327 2.480 13.985 1.00 0.82 N +ATOM 296 N PHE A 37 59.426 9.088 15.296 1.00 2.15 N +ATOM 297 CA PHE A 37 58.703 10.249 15.755 1.00 2.15 C +ATOM 298 C PHE A 37 58.813 11.294 14.690 1.00 2.15 C +ATOM 299 O PHE A 37 57.878 12.051 14.491 1.00 2.15 O +ATOM 300 CB PHE A 37 59.285 10.795 17.038 1.00 2.15 C +ATOM 301 CG PHE A 37 58.918 10.006 18.239 1.00 2.15 C +ATOM 302 CD1 PHE A 37 59.589 8.841 18.553 1.00 2.15 C +ATOM 303 CD2 PHE A 37 57.881 10.413 19.053 1.00 2.15 C +ATOM 304 CE1 PHE A 37 59.228 8.093 19.664 1.00 2.15 C +ATOM 305 CE2 PHE A 37 57.515 9.676 20.159 1.00 2.15 C +ATOM 306 CZ PHE A 37 58.186 8.519 20.466 1.00 2.15 C +ATOM 307 N SER A 38 59.958 11.336 14.007 1.00 1.49 N +ATOM 308 CA SER A 38 60.202 12.297 12.924 1.00 1.49 C +ATOM 309 C SER A 38 59.207 12.064 11.819 1.00 1.49 C +ATOM 310 O SER A 38 58.798 12.997 11.127 1.00 1.49 O +ATOM 311 CB SER A 38 61.613 12.116 12.372 1.00 1.49 C +ATOM 312 OG SER A 38 62.578 12.342 13.381 1.00 1.49 O +ATOM 313 N MET A 39 58.852 10.797 11.652 1.00 0.01 N +ATOM 314 CA MET A 39 57.880 10.365 10.672 1.00 0.01 C +ATOM 315 C MET A 39 56.569 11.008 11.016 1.00 0.01 C +ATOM 316 O MET A 39 55.965 11.657 10.169 1.00 0.01 O +ATOM 317 CB MET A 39 57.726 8.857 10.749 1.00 0.01 C +ATOM 318 CG MET A 39 58.821 8.082 10.078 1.00 0.01 C +ATOM 319 SD MET A 39 58.428 7.998 8.334 1.00 0.01 S +ATOM 320 CE MET A 39 59.203 9.645 7.679 1.00 0.01 C +ATOM 321 N LEU A 40 56.126 10.812 12.256 1.00 0.00 N +ATOM 322 CA LEU A 40 54.883 11.397 12.726 1.00 0.00 C +ATOM 323 C LEU A 40 54.941 12.869 12.486 1.00 0.00 C +ATOM 324 O LEU A 40 53.994 13.427 11.947 1.00 0.00 O +ATOM 325 CB LEU A 40 54.710 11.156 14.218 1.00 0.00 C +ATOM 326 CG LEU A 40 54.629 9.703 14.663 1.00 0.00 C +ATOM 327 CD1 LEU A 40 54.509 9.621 16.174 1.00 0.00 C +ATOM 328 CD2 LEU A 40 53.443 9.071 13.996 1.00 0.00 C +ATOM 329 N ALA A 41 56.058 13.490 12.869 1.00 0.13 N +ATOM 330 CA ALA A 41 56.248 14.930 12.709 1.00 0.13 C +ATOM 331 C ALA A 41 56.185 15.316 11.245 1.00 0.13 C +ATOM 332 O ALA A 41 55.431 16.217 10.886 1.00 0.13 O +ATOM 333 CB ALA A 41 57.568 15.358 13.316 1.00 0.13 C +ATOM 334 N ALA A 42 56.970 14.655 10.401 1.00 2.71 N +ATOM 335 CA ALA A 42 56.963 14.953 8.971 1.00 2.71 C +ATOM 336 C ALA A 42 55.532 14.826 8.451 1.00 2.71 C +ATOM 337 O ALA A 42 55.035 15.692 7.747 1.00 2.71 O +ATOM 338 CB ALA A 42 57.867 13.978 8.243 1.00 2.71 C +ATOM 339 N TYR A 43 54.882 13.732 8.821 1.00 1.58 N +ATOM 340 CA TYR A 43 53.511 13.441 8.435 1.00 1.58 C +ATOM 341 C TYR A 43 52.536 14.547 8.875 1.00 1.58 C +ATOM 342 O TYR A 43 51.799 15.103 8.040 1.00 1.58 O +ATOM 343 CB TYR A 43 53.117 12.121 9.067 1.00 1.58 C +ATOM 344 CG TYR A 43 51.668 11.756 8.935 1.00 1.58 C +ATOM 345 CD1 TYR A 43 51.130 11.391 7.712 1.00 1.58 C +ATOM 346 CD2 TYR A 43 50.857 11.683 10.058 1.00 1.58 C +ATOM 347 CE1 TYR A 43 49.820 10.941 7.616 1.00 1.58 C +ATOM 348 CE2 TYR A 43 49.551 11.243 9.982 1.00 1.58 C +ATOM 349 CZ TYR A 43 49.039 10.862 8.762 1.00 1.58 C +ATOM 350 OH TYR A 43 47.766 10.328 8.707 1.00 1.58 O +ATOM 351 N MET A 44 52.507 14.863 10.169 1.00 0.00 N +ATOM 352 CA MET A 44 51.590 15.896 10.653 1.00 0.00 C +ATOM 353 C MET A 44 51.838 17.168 9.921 1.00 0.00 C +ATOM 354 O MET A 44 50.926 17.948 9.709 1.00 0.00 O +ATOM 355 CB MET A 44 51.761 16.131 12.150 1.00 0.00 C +ATOM 356 CG MET A 44 51.219 15.010 13.012 1.00 0.00 C +ATOM 357 SD MET A 44 49.615 14.319 12.414 1.00 0.00 S +ATOM 358 CE MET A 44 48.565 15.793 12.245 1.00 0.00 C +ATOM 359 N PHE A 45 53.083 17.379 9.532 1.00 0.14 N +ATOM 360 CA PHE A 45 53.430 18.575 8.820 1.00 0.14 C +ATOM 361 C PHE A 45 52.747 18.605 7.457 1.00 0.14 C +ATOM 362 O PHE A 45 52.119 19.616 7.119 1.00 0.14 O +ATOM 363 CB PHE A 45 54.938 18.646 8.638 1.00 0.14 C +ATOM 364 CG PHE A 45 55.374 19.750 7.720 1.00 0.14 C +ATOM 365 CD1 PHE A 45 55.552 21.035 8.197 1.00 0.14 C +ATOM 366 CD2 PHE A 45 55.553 19.511 6.357 1.00 0.14 C +ATOM 367 CE1 PHE A 45 55.899 22.066 7.334 1.00 0.14 C +ATOM 368 CE2 PHE A 45 55.900 20.538 5.485 1.00 0.14 C +ATOM 369 CZ PHE A 45 56.073 21.815 5.970 1.00 0.14 C +ATOM 370 N LEU A 46 52.872 17.524 6.679 1.00 0.03 N +ATOM 371 CA LEU A 46 52.277 17.452 5.333 1.00 0.03 C +ATOM 372 C LEU A 46 50.786 17.547 5.395 1.00 0.03 C +ATOM 373 O LEU A 46 50.198 18.142 4.495 1.00 0.03 O +ATOM 374 CB LEU A 46 52.652 16.157 4.628 1.00 0.03 C +ATOM 375 CG LEU A 46 54.142 15.948 4.372 1.00 0.03 C +ATOM 376 CD1 LEU A 46 54.372 14.584 3.706 1.00 0.03 C +ATOM 377 CD2 LEU A 46 54.659 17.091 3.513 1.00 0.03 C +ATOM 378 N LEU A 47 50.172 16.953 6.425 1.00 0.56 N +ATOM 379 CA LEU A 47 48.713 17.013 6.612 1.00 0.56 C +ATOM 380 C LEU A 47 48.253 18.466 6.861 1.00 0.56 C +ATOM 381 O LEU A 47 47.184 18.866 6.406 1.00 0.56 O +ATOM 382 CB LEU A 47 48.273 16.162 7.815 1.00 0.56 C +ATOM 383 CG LEU A 47 47.751 14.736 7.677 1.00 0.56 C +ATOM 384 CD1 LEU A 47 47.138 14.306 9.018 1.00 0.56 C +ATOM 385 CD2 LEU A 47 46.702 14.664 6.591 1.00 0.56 C +ATOM 386 N ILE A 48 49.035 19.242 7.603 1.00 0.11 N +ATOM 387 CA ILE A 48 48.662 20.616 7.875 1.00 0.11 C +ATOM 388 C ILE A 48 48.820 21.416 6.613 1.00 0.11 C +ATOM 389 O ILE A 48 48.043 22.320 6.372 1.00 0.11 O +ATOM 390 CB ILE A 48 49.530 21.215 8.998 1.00 0.11 C +ATOM 391 CG1 ILE A 48 49.202 20.514 10.317 1.00 0.11 C +ATOM 392 CG2 ILE A 48 49.287 22.706 9.109 1.00 0.11 C +ATOM 393 CD1 ILE A 48 50.081 20.897 11.472 1.00 0.11 C +ATOM 394 N MET A 49 49.799 21.064 5.791 1.00 1.05 N +ATOM 395 CA MET A 49 50.048 21.782 4.544 1.00 1.05 C +ATOM 396 C MET A 49 48.975 21.500 3.491 1.00 1.05 C +ATOM 397 O MET A 49 48.766 22.319 2.593 1.00 1.05 O +ATOM 398 CB MET A 49 51.426 21.407 4.012 1.00 1.05 C +ATOM 399 CG MET A 49 51.777 22.105 2.744 1.00 1.05 C +ATOM 400 SD MET A 49 53.529 22.137 2.566 1.00 1.05 S +ATOM 401 CE MET A 49 53.893 23.393 3.818 1.00 1.05 C +ATOM 402 N LEU A 50 48.315 20.351 3.595 1.00 0.25 N +ATOM 403 CA LEU A 50 47.246 19.952 2.673 1.00 0.25 C +ATOM 404 C LEU A 50 45.904 20.379 3.223 1.00 0.25 C +ATOM 405 O LEU A 50 45.088 20.933 2.507 1.00 0.25 O +ATOM 406 CB LEU A 50 47.220 18.436 2.515 1.00 0.25 C +ATOM 407 CG LEU A 50 47.988 17.804 1.370 1.00 0.25 C +ATOM 408 CD1 LEU A 50 48.027 16.299 1.554 1.00 0.25 C +ATOM 409 CD2 LEU A 50 47.311 18.196 0.064 1.00 0.25 C +ATOM 410 N GLY A 51 45.691 20.102 4.505 1.00 0.00 N +ATOM 411 CA GLY A 51 44.435 20.420 5.156 1.00 0.00 C +ATOM 412 C GLY A 51 44.049 21.871 5.256 1.00 0.00 C +ATOM 413 O GLY A 51 42.870 22.199 5.207 1.00 0.00 O +ATOM 414 N PHE A 52 45.032 22.746 5.412 1.00 0.85 N +ATOM 415 CA PHE A 52 44.713 24.152 5.517 1.00 0.85 C +ATOM 416 C PHE A 52 44.201 24.678 4.186 1.00 0.85 C +ATOM 417 O PHE A 52 43.029 25.083 4.107 1.00 0.85 O +ATOM 418 CB PHE A 52 45.916 24.974 5.976 1.00 0.85 C +ATOM 419 CG PHE A 52 45.694 26.449 5.846 1.00 0.85 C +ATOM 420 CD1 PHE A 52 44.473 27.017 6.255 1.00 0.85 C +ATOM 421 CD2 PHE A 52 46.650 27.264 5.240 1.00 0.85 C +ATOM 422 CE1 PHE A 52 44.200 28.375 6.053 1.00 0.85 C +ATOM 423 CE2 PHE A 52 46.388 28.628 5.031 1.00 0.85 C +ATOM 424 CZ PHE A 52 45.155 29.182 5.438 1.00 0.85 C +ATOM 425 N PRO A 53 45.045 24.669 3.123 1.00 2.16 N +ATOM 426 CA PRO A 53 44.569 25.176 1.829 1.00 2.16 C +ATOM 427 C PRO A 53 43.280 24.546 1.317 1.00 2.16 C +ATOM 428 O PRO A 53 42.361 25.270 0.954 1.00 2.16 O +ATOM 429 CB PRO A 53 45.765 24.937 0.894 1.00 2.16 C +ATOM 430 CG PRO A 53 46.507 23.808 1.528 1.00 2.16 C +ATOM 431 CD PRO A 53 46.424 24.155 3.000 1.00 2.16 C +ATOM 432 N ILE A 54 43.195 23.220 1.313 1.00 0.05 N +ATOM 433 CA ILE A 54 42.011 22.517 0.810 1.00 0.05 C +ATOM 434 C ILE A 54 40.750 22.872 1.563 1.00 0.05 C +ATOM 435 O ILE A 54 39.717 23.037 0.949 1.00 0.05 O +ATOM 436 CB ILE A 54 42.215 20.968 0.850 1.00 0.05 C +ATOM 437 CG1 ILE A 54 43.234 20.555 -0.226 1.00 0.05 C +ATOM 438 CG2 ILE A 54 40.887 20.264 0.639 1.00 0.05 C +ATOM 439 CD1 ILE A 54 43.793 19.149 -0.115 1.00 0.05 C +ATOM 440 N ASN A 55 40.829 22.991 2.881 1.00 0.00 N +ATOM 441 CA ASN A 55 39.651 23.294 3.669 1.00 0.00 C +ATOM 442 C ASN A 55 39.294 24.752 3.612 1.00 0.00 C +ATOM 443 O ASN A 55 38.102 25.083 3.615 1.00 0.00 O +ATOM 444 CB ASN A 55 39.861 22.838 5.108 1.00 0.00 C +ATOM 445 CG ASN A 55 39.597 21.357 5.282 1.00 0.00 C +ATOM 446 OD1 ASN A 55 38.467 20.899 5.108 1.00 0.00 O +ATOM 447 ND2 ASN A 55 40.635 20.597 5.613 1.00 0.00 N +ATOM 448 N PHE A 56 40.295 25.627 3.561 1.00 0.05 N +ATOM 449 CA PHE A 56 40.019 27.058 3.489 1.00 0.05 C +ATOM 450 C PHE A 56 39.431 27.412 2.119 1.00 0.05 C +ATOM 451 O PHE A 56 38.491 28.211 2.036 1.00 0.05 O +ATOM 452 CB PHE A 56 41.286 27.886 3.718 1.00 0.05 C +ATOM 453 CG PHE A 56 41.034 29.359 3.661 1.00 0.05 C +ATOM 454 CD1 PHE A 56 40.389 30.008 4.713 1.00 0.05 C +ATOM 455 CD2 PHE A 56 41.328 30.088 2.507 1.00 0.05 C +ATOM 456 CE1 PHE A 56 40.034 31.362 4.610 1.00 0.05 C +ATOM 457 CE2 PHE A 56 40.972 31.447 2.395 1.00 0.05 C +ATOM 458 CZ PHE A 56 40.327 32.079 3.441 1.00 0.05 C +ATOM 459 N LEU A 57 39.993 26.829 1.062 1.00 0.11 N +ATOM 460 CA LEU A 57 39.537 27.053 -0.310 1.00 0.11 C +ATOM 461 C LEU A 57 38.080 26.645 -0.409 1.00 0.11 C +ATOM 462 O LEU A 57 37.267 27.389 -0.923 1.00 0.11 O +ATOM 463 CB LEU A 57 40.369 26.204 -1.265 1.00 0.11 C +ATOM 464 CG LEU A 57 40.606 26.676 -2.686 1.00 0.11 C +ATOM 465 CD1 LEU A 57 40.678 25.449 -3.565 1.00 0.11 C +ATOM 466 CD2 LEU A 57 39.489 27.589 -3.143 1.00 0.11 C +ATOM 467 N THR A 58 37.766 25.453 0.087 1.00 0.00 N +ATOM 468 CA THR A 58 36.406 24.912 0.098 1.00 0.00 C +ATOM 469 C THR A 58 35.471 25.905 0.742 1.00 0.00 C +ATOM 470 O THR A 58 34.384 26.186 0.245 1.00 0.00 O +ATOM 471 CB THR A 58 36.339 23.643 0.937 1.00 0.00 C +ATOM 472 OG1 THR A 58 37.081 22.602 0.300 1.00 0.00 O +ATOM 473 CG2 THR A 58 34.902 23.217 1.130 1.00 0.00 C +ATOM 474 N LEU A 59 35.908 26.411 1.881 1.00 0.00 N +ATOM 475 CA LEU A 59 35.161 27.379 2.658 1.00 0.00 C +ATOM 476 C LEU A 59 34.949 28.671 1.868 1.00 0.00 C +ATOM 477 O LEU A 59 33.832 29.172 1.789 1.00 0.00 O +ATOM 478 CB LEU A 59 35.945 27.650 3.935 1.00 0.00 C +ATOM 479 CG LEU A 59 35.625 28.919 4.703 1.00 0.00 C +ATOM 480 CD1 LEU A 59 34.196 28.872 5.209 1.00 0.00 C +ATOM 481 CD2 LEU A 59 36.621 29.034 5.848 1.00 0.00 C +ATOM 482 N TYR A 60 36.022 29.192 1.282 1.00 0.28 N +ATOM 483 CA TYR A 60 35.964 30.433 0.521 1.00 0.28 C +ATOM 484 C TYR A 60 35.049 30.292 -0.682 1.00 0.28 C +ATOM 485 O TYR A 60 34.232 31.165 -0.936 1.00 0.28 O +ATOM 486 CB TYR A 60 37.379 30.824 0.086 1.00 0.28 C +ATOM 487 CG TYR A 60 37.521 32.209 -0.511 1.00 0.28 C +ATOM 488 CD1 TYR A 60 37.026 32.502 -1.783 1.00 0.28 C +ATOM 489 CD2 TYR A 60 38.157 33.233 0.198 1.00 0.28 C +ATOM 490 CE1 TYR A 60 37.162 33.793 -2.339 1.00 0.28 C +ATOM 491 CE2 TYR A 60 38.302 34.527 -0.345 1.00 0.28 C +ATOM 492 CZ TYR A 60 37.799 34.802 -1.611 1.00 0.28 C +ATOM 493 OH TYR A 60 37.912 36.077 -2.139 1.00 0.28 O +ATOM 494 N VAL A 61 35.159 29.204 -1.421 1.00 1.50 N +ATOM 495 CA VAL A 61 34.306 29.048 -2.582 1.00 1.50 C +ATOM 496 C VAL A 61 32.830 29.017 -2.179 1.00 1.50 C +ATOM 497 O VAL A 61 32.022 29.742 -2.754 1.00 1.50 O +ATOM 498 CB VAL A 61 34.676 27.773 -3.369 1.00 1.50 C +ATOM 499 CG1 VAL A 61 33.586 27.446 -4.395 1.00 1.50 C +ATOM 500 CG2 VAL A 61 36.018 27.984 -4.073 1.00 1.50 C +ATOM 501 N THR A 62 32.484 28.212 -1.182 1.00 0.00 N +ATOM 502 CA THR A 62 31.093 28.080 -0.754 1.00 0.00 C +ATOM 503 C THR A 62 30.473 29.420 -0.465 1.00 0.00 C +ATOM 504 O THR A 62 29.366 29.709 -0.905 1.00 0.00 O +ATOM 505 CB THR A 62 30.982 27.219 0.516 1.00 0.00 C +ATOM 506 OG1 THR A 62 31.647 25.972 0.299 1.00 0.00 O +ATOM 507 CG2 THR A 62 29.523 26.945 0.855 1.00 0.00 C +ATOM 508 N VAL A 63 31.186 30.248 0.272 1.00 0.41 N +ATOM 509 CA VAL A 63 30.656 31.536 0.650 1.00 0.41 C +ATOM 510 C VAL A 63 30.508 32.461 -0.526 1.00 0.41 C +ATOM 511 O VAL A 63 29.432 33.020 -0.741 1.00 0.41 O +ATOM 512 CB VAL A 63 31.554 32.180 1.694 1.00 0.41 C +ATOM 513 CG1 VAL A 63 31.172 33.621 1.888 1.00 0.41 C +ATOM 514 CG2 VAL A 63 31.428 31.425 2.995 1.00 0.41 C +ATOM 515 N GLN A 64 31.581 32.622 -1.284 1.00 0.01 N +ATOM 516 CA GLN A 64 31.587 33.520 -2.429 1.00 0.01 C +ATOM 517 C GLN A 64 30.488 33.246 -3.438 1.00 0.01 C +ATOM 518 O GLN A 64 29.975 34.196 -4.018 1.00 0.01 O +ATOM 519 CB GLN A 64 32.938 33.447 -3.108 1.00 0.01 C +ATOM 520 CG GLN A 64 32.952 33.957 -4.514 1.00 0.01 C +ATOM 521 CD GLN A 64 34.357 33.970 -5.066 1.00 0.01 C +ATOM 522 OE1 GLN A 64 35.168 34.839 -4.711 1.00 0.01 O +ATOM 523 NE2 GLN A 64 34.671 32.992 -5.922 1.00 0.01 N +ATOM 524 N HIS A 65 30.127 31.987 -3.663 1.00 0.08 N +ATOM 525 CA HIS A 65 29.089 31.684 -4.637 1.00 0.08 C +ATOM 526 C HIS A 65 27.749 31.633 -3.981 1.00 0.08 C +ATOM 527 O HIS A 65 27.326 30.612 -3.466 1.00 0.08 O +ATOM 528 CB HIS A 65 29.435 30.395 -5.351 1.00 0.08 C +ATOM 529 CG HIS A 65 30.654 30.519 -6.198 1.00 0.08 C +ATOM 530 ND1 HIS A 65 30.625 30.396 -7.570 1.00 0.08 N +ATOM 531 CD2 HIS A 65 31.930 30.826 -5.874 1.00 0.08 C +ATOM 532 CE1 HIS A 65 31.833 30.618 -8.054 1.00 0.08 C +ATOM 533 NE2 HIS A 65 32.643 30.882 -7.045 1.00 0.08 N +ATOM 534 N LYS A 66 27.079 32.773 -4.042 1.00 0.00 N +ATOM 535 CA LYS A 66 25.783 32.997 -3.422 1.00 0.00 C +ATOM 536 C LYS A 66 24.726 31.956 -3.707 1.00 0.00 C +ATOM 537 O LYS A 66 23.707 31.954 -3.023 1.00 0.00 O +ATOM 538 CB LYS A 66 25.277 34.394 -3.798 1.00 0.00 C +ATOM 539 CG LYS A 66 25.815 35.500 -2.884 1.00 0.00 C +ATOM 540 CD LYS A 66 27.345 35.509 -2.815 1.00 0.00 C +ATOM 541 CE LYS A 66 27.867 36.339 -1.624 1.00 0.00 C +ATOM 542 NZ LYS A 66 29.376 36.392 -1.524 1.00 0.00 N +ATOM 543 N LYS A 67 24.933 31.065 -4.663 1.00 0.06 N +ATOM 544 CA LYS A 67 23.881 30.092 -4.935 1.00 0.06 C +ATOM 545 C LYS A 67 24.197 28.736 -4.347 1.00 0.06 C +ATOM 546 O LYS A 67 23.323 27.886 -4.311 1.00 0.06 O +ATOM 547 CB LYS A 67 23.617 29.973 -6.444 1.00 0.06 C +ATOM 548 CG LYS A 67 23.480 31.325 -7.194 1.00 0.06 C +ATOM 549 CD LYS A 67 22.312 32.210 -6.702 1.00 0.06 C +ATOM 550 CE LYS A 67 20.954 31.525 -6.895 1.00 0.06 C +ATOM 551 NZ LYS A 67 20.772 30.980 -8.287 1.00 0.06 N +ATOM 552 N LEU A 68 25.424 28.517 -3.894 1.00 0.00 N +ATOM 553 CA LEU A 68 25.761 27.234 -3.288 1.00 0.00 C +ATOM 554 C LEU A 68 25.120 27.216 -1.894 1.00 0.00 C +ATOM 555 O LEU A 68 25.815 27.355 -0.886 1.00 0.00 O +ATOM 556 CB LEU A 68 27.285 27.099 -3.198 1.00 0.00 C +ATOM 557 CG LEU A 68 28.065 27.034 -4.514 1.00 0.00 C +ATOM 558 CD1 LEU A 68 29.549 27.218 -4.235 1.00 0.00 C +ATOM 559 CD2 LEU A 68 27.804 25.715 -5.202 1.00 0.00 C +ATOM 560 N ARG A 69 23.800 27.037 -1.840 1.00 0.12 N +ATOM 561 CA ARG A 69 23.087 27.072 -0.561 1.00 0.12 C +ATOM 562 C ARG A 69 22.188 25.868 -0.298 1.00 0.12 C +ATOM 563 O ARG A 69 21.192 26.011 0.419 1.00 0.12 O +ATOM 564 CB ARG A 69 22.255 28.345 -0.497 1.00 0.12 C +ATOM 565 CG ARG A 69 23.087 29.577 -0.650 1.00 0.12 C +ATOM 566 CD ARG A 69 23.937 29.726 0.560 1.00 0.12 C +ATOM 567 NE ARG A 69 24.826 30.874 0.479 1.00 0.12 N +ATOM 568 CZ ARG A 69 26.014 30.867 -0.118 1.00 0.12 C +ATOM 569 NH1 ARG A 69 26.463 29.761 -0.699 1.00 0.12 N +ATOM 570 NH2 ARG A 69 26.768 31.961 -0.110 1.00 0.12 N +ATOM 571 N THR A 70 22.528 24.699 -0.832 1.00 0.32 N +ATOM 572 CA THR A 70 21.717 23.500 -0.609 1.00 0.32 C +ATOM 573 C THR A 70 22.059 22.902 0.737 1.00 0.32 C +ATOM 574 O THR A 70 23.028 23.330 1.369 1.00 0.32 O +ATOM 575 CB THR A 70 21.994 22.429 -1.684 1.00 0.32 C +ATOM 576 OG1 THR A 70 23.349 21.989 -1.600 1.00 0.32 O +ATOM 577 CG2 THR A 70 21.793 23.003 -3.048 1.00 0.32 C +ATOM 578 N PRO A 71 21.272 21.919 1.209 1.00 0.00 N +ATOM 579 CA PRO A 71 21.602 21.327 2.502 1.00 0.00 C +ATOM 580 C PRO A 71 23.014 20.754 2.436 1.00 0.00 C +ATOM 581 O PRO A 71 23.737 20.788 3.426 1.00 0.00 O +ATOM 582 CB PRO A 71 20.535 20.251 2.657 1.00 0.00 C +ATOM 583 CG PRO A 71 19.354 20.888 2.020 1.00 0.00 C +ATOM 584 CD PRO A 71 19.966 21.425 0.739 1.00 0.00 C +ATOM 585 N LEU A 72 23.402 20.254 1.262 1.00 0.00 N +ATOM 586 CA LEU A 72 24.734 19.683 1.060 1.00 0.00 C +ATOM 587 C LEU A 72 25.827 20.753 1.072 1.00 0.00 C +ATOM 588 O LEU A 72 26.909 20.518 1.613 1.00 0.00 O +ATOM 589 CB LEU A 72 24.799 18.931 -0.263 1.00 0.00 C +ATOM 590 CG LEU A 72 26.192 18.367 -0.560 1.00 0.00 C +ATOM 591 CD1 LEU A 72 26.503 17.258 0.421 1.00 0.00 C +ATOM 592 CD2 LEU A 72 26.268 17.832 -1.964 1.00 0.00 C +ATOM 593 N ASN A 73 25.566 21.904 0.462 1.00 0.00 N +ATOM 594 CA ASN A 73 26.550 22.977 0.444 1.00 0.00 C +ATOM 595 C ASN A 73 26.784 23.438 1.867 1.00 0.00 C +ATOM 596 O ASN A 73 27.880 23.910 2.173 1.00 0.00 O +ATOM 597 CB ASN A 73 26.076 24.165 -0.412 1.00 0.00 C +ATOM 598 CG ASN A 73 26.010 23.836 -1.898 1.00 0.00 C +ATOM 599 OD1 ASN A 73 26.941 23.264 -2.463 1.00 0.00 O +ATOM 600 ND2 ASN A 73 24.910 24.214 -2.539 1.00 0.00 N +ATOM 601 N TYR A 74 25.773 23.317 2.727 1.00 0.03 N +ATOM 602 CA TYR A 74 25.919 23.718 4.123 1.00 0.03 C +ATOM 603 C TYR A 74 26.755 22.703 4.866 1.00 0.03 C +ATOM 604 O TYR A 74 27.777 23.065 5.436 1.00 0.03 O +ATOM 605 CB TYR A 74 24.562 23.830 4.804 1.00 0.03 C +ATOM 606 CG TYR A 74 23.913 25.152 4.575 1.00 0.03 C +ATOM 607 CD1 TYR A 74 24.028 26.176 5.508 1.00 0.03 C +ATOM 608 CD2 TYR A 74 23.232 25.411 3.386 1.00 0.03 C +ATOM 609 CE1 TYR A 74 23.481 27.435 5.253 1.00 0.03 C +ATOM 610 CE2 TYR A 74 22.682 26.661 3.122 1.00 0.03 C +ATOM 611 CZ TYR A 74 22.814 27.662 4.055 1.00 0.03 C +ATOM 612 OH TYR A 74 22.297 28.892 3.764 1.00 0.03 O +ATOM 613 N ILE A 75 26.326 21.443 4.854 1.00 0.02 N +ATOM 614 CA ILE A 75 27.014 20.369 5.557 1.00 0.02 C +ATOM 615 C ILE A 75 28.470 20.308 5.201 1.00 0.02 C +ATOM 616 O ILE A 75 29.293 20.035 6.070 1.00 0.02 O +ATOM 617 CB ILE A 75 26.334 19.005 5.277 1.00 0.02 C +ATOM 618 CG1 ILE A 75 25.084 18.887 6.152 1.00 0.02 C +ATOM 619 CG2 ILE A 75 27.307 17.856 5.515 1.00 0.02 C +ATOM 620 CD1 ILE A 75 25.318 19.308 7.620 1.00 0.02 C +ATOM 621 N LEU A 76 28.813 20.560 3.946 1.00 0.00 N +ATOM 622 CA LEU A 76 30.214 20.505 3.589 1.00 0.00 C +ATOM 623 C LEU A 76 30.938 21.758 3.994 1.00 0.00 C +ATOM 624 O LEU A 76 32.143 21.717 4.153 1.00 0.00 O +ATOM 625 CB LEU A 76 30.399 20.177 2.112 1.00 0.00 C +ATOM 626 CG LEU A 76 30.610 18.652 2.095 1.00 0.00 C +ATOM 627 CD1 LEU A 76 29.364 17.952 1.609 1.00 0.00 C +ATOM 628 CD2 LEU A 76 31.798 18.297 1.253 1.00 0.00 C +ATOM 629 N LEU A 77 30.237 22.868 4.172 1.00 0.15 N +ATOM 630 CA LEU A 77 30.916 24.075 4.641 1.00 0.15 C +ATOM 631 C LEU A 77 31.237 23.819 6.100 1.00 0.15 C +ATOM 632 O LEU A 77 32.309 24.161 6.588 1.00 0.15 O +ATOM 633 CB LEU A 77 30.006 25.307 4.521 1.00 0.15 C +ATOM 634 CG LEU A 77 30.605 26.607 5.071 1.00 0.15 C +ATOM 635 CD1 LEU A 77 32.001 26.853 4.527 1.00 0.15 C +ATOM 636 CD2 LEU A 77 29.692 27.736 4.703 1.00 0.15 C +ATOM 637 N ASN A 78 30.280 23.202 6.781 1.00 0.00 N +ATOM 638 CA ASN A 78 30.388 22.834 8.182 1.00 0.00 C +ATOM 639 C ASN A 78 31.632 21.957 8.328 1.00 0.00 C +ATOM 640 O ASN A 78 32.489 22.238 9.157 1.00 0.00 O +ATOM 641 CB ASN A 78 29.095 22.086 8.571 1.00 0.00 C +ATOM 642 CG ASN A 78 29.113 21.514 9.981 1.00 0.00 C +ATOM 643 OD1 ASN A 78 29.474 22.196 10.948 1.00 0.00 O +ATOM 644 ND2 ASN A 78 28.688 20.250 10.103 1.00 0.00 N +ATOM 645 N LEU A 79 31.746 20.925 7.498 1.00 0.00 N +ATOM 646 CA LEU A 79 32.885 20.029 7.558 1.00 0.00 C +ATOM 647 C LEU A 79 34.202 20.756 7.342 1.00 0.00 C +ATOM 648 O LEU A 79 35.183 20.421 8.006 1.00 0.00 O +ATOM 649 CB LEU A 79 32.722 18.928 6.527 1.00 0.00 C +ATOM 650 CG LEU A 79 32.017 17.658 6.999 1.00 0.00 C +ATOM 651 CD1 LEU A 79 31.441 17.820 8.410 1.00 0.00 C +ATOM 652 CD2 LEU A 79 30.956 17.315 5.969 1.00 0.00 C +ATOM 653 N ALA A 80 34.241 21.733 6.437 1.00 0.07 N +ATOM 654 CA ALA A 80 35.476 22.472 6.163 1.00 0.07 C +ATOM 655 C ALA A 80 35.868 23.269 7.392 1.00 0.07 C +ATOM 656 O ALA A 80 37.042 23.387 7.712 1.00 0.07 O +ATOM 657 CB ALA A 80 35.290 23.409 4.946 1.00 0.07 C +ATOM 658 N VAL A 81 34.890 23.811 8.094 1.00 0.30 N +ATOM 659 CA VAL A 81 35.185 24.585 9.287 1.00 0.30 C +ATOM 660 C VAL A 81 35.723 23.669 10.382 1.00 0.30 C +ATOM 661 O VAL A 81 36.739 23.963 11.003 1.00 0.30 O +ATOM 662 CB VAL A 81 33.919 25.300 9.751 1.00 0.30 C +ATOM 663 CG1 VAL A 81 34.185 26.097 11.001 1.00 0.30 C +ATOM 664 CG2 VAL A 81 33.436 26.197 8.641 1.00 0.30 C +ATOM 665 N ALA A 82 35.037 22.556 10.600 1.00 0.00 N +ATOM 666 CA ALA A 82 35.434 21.596 11.604 1.00 0.00 C +ATOM 667 C ALA A 82 36.826 21.046 11.284 1.00 0.00 C +ATOM 668 O ALA A 82 37.581 20.750 12.204 1.00 0.00 O +ATOM 669 CB ALA A 82 34.407 20.471 11.666 1.00 0.00 C +ATOM 670 N ASP A 83 37.169 20.930 9.998 1.00 0.06 N +ATOM 671 CA ASP A 83 38.472 20.407 9.549 1.00 0.06 C +ATOM 672 C ASP A 83 39.557 21.458 9.781 1.00 0.06 C +ATOM 673 O ASP A 83 40.721 21.094 9.991 1.00 0.06 O +ATOM 674 CB ASP A 83 38.462 20.026 8.056 1.00 0.06 C +ATOM 675 CG ASP A 83 37.573 18.838 7.742 1.00 0.06 C +ATOM 676 OD1 ASP A 83 37.126 18.132 8.660 1.00 0.06 O +ATOM 677 OD2 ASP A 83 37.323 18.602 6.550 1.00 0.06 O +ATOM 678 N LEU A 84 39.197 22.740 9.724 1.00 0.85 N +ATOM 679 CA LEU A 84 40.169 23.806 9.967 1.00 0.85 C +ATOM 680 C LEU A 84 40.443 23.885 11.462 1.00 0.85 C +ATOM 681 O LEU A 84 41.531 24.298 11.855 1.00 0.85 O +ATOM 682 CB LEU A 84 39.659 25.154 9.430 1.00 0.85 C +ATOM 683 CG LEU A 84 39.790 25.391 7.912 1.00 0.85 C +ATOM 684 CD1 LEU A 84 38.895 26.542 7.491 1.00 0.85 C +ATOM 685 CD2 LEU A 84 41.233 25.674 7.539 1.00 0.85 C +ATOM 686 N PHE A 85 39.467 23.499 12.288 1.00 0.08 N +ATOM 687 CA PHE A 85 39.668 23.473 13.736 1.00 0.08 C +ATOM 688 C PHE A 85 40.601 22.326 14.051 1.00 0.08 C +ATOM 689 O PHE A 85 41.421 22.412 14.947 1.00 0.08 O +ATOM 690 CB PHE A 85 38.345 23.280 14.469 1.00 0.08 C +ATOM 691 CG PHE A 85 37.628 24.559 14.749 1.00 0.08 C +ATOM 692 CD1 PHE A 85 38.246 25.565 15.488 1.00 0.08 C +ATOM 693 CD2 PHE A 85 36.339 24.769 14.271 1.00 0.08 C +ATOM 694 CE1 PHE A 85 37.582 26.780 15.753 1.00 0.08 C +ATOM 695 CE2 PHE A 85 35.667 25.967 14.522 1.00 0.08 C +ATOM 696 CZ PHE A 85 36.288 26.979 15.266 1.00 0.08 C +ATOM 697 N MET A 86 40.461 21.245 13.306 1.00 7.40 N +ATOM 698 CA MET A 86 41.331 20.103 13.474 1.00 7.40 C +ATOM 699 C MET A 86 42.761 20.534 13.195 1.00 7.40 C +ATOM 700 O MET A 86 43.621 20.361 14.041 1.00 7.40 O +ATOM 701 CB MET A 86 40.935 18.984 12.504 1.00 7.40 C +ATOM 702 CG MET A 86 39.535 18.452 12.733 1.00 7.40 C +ATOM 703 SD MET A 86 39.137 16.991 11.762 1.00 7.40 S +ATOM 704 CE MET A 86 39.972 15.752 12.693 1.00 7.40 C +ATOM 705 N VAL A 87 42.996 21.107 12.017 1.00 1.04 N +ATOM 706 CA VAL A 87 44.326 21.540 11.591 1.00 1.04 C +ATOM 707 C VAL A 87 44.966 22.489 12.573 1.00 1.04 C +ATOM 708 O VAL A 87 46.048 22.226 13.080 1.00 1.04 O +ATOM 709 CB VAL A 87 44.267 22.237 10.220 1.00 1.04 C +ATOM 710 CG1 VAL A 87 45.640 22.673 9.806 1.00 1.04 C +ATOM 711 CG2 VAL A 87 43.674 21.315 9.190 1.00 1.04 C +ATOM 712 N PHE A 88 44.304 23.600 12.845 1.00 0.31 N +ATOM 713 CA PHE A 88 44.868 24.598 13.749 1.00 0.31 C +ATOM 714 C PHE A 88 44.629 24.247 15.203 1.00 0.31 C +ATOM 715 O PHE A 88 45.496 24.502 16.040 1.00 0.31 O +ATOM 716 CB PHE A 88 44.292 25.979 13.425 1.00 0.31 C +ATOM 717 CG PHE A 88 44.708 26.508 12.079 1.00 0.31 C +ATOM 718 CD1 PHE A 88 46.048 26.756 11.801 1.00 0.31 C +ATOM 719 CD2 PHE A 88 43.766 26.706 11.065 1.00 0.31 C +ATOM 720 CE1 PHE A 88 46.450 27.192 10.523 1.00 0.31 C +ATOM 721 CE2 PHE A 88 44.158 27.141 9.787 1.00 0.31 C +ATOM 722 CZ PHE A 88 45.498 27.381 9.515 1.00 0.31 C +ATOM 723 N GLY A 89 43.480 23.654 15.502 1.00 0.32 N +ATOM 724 CA GLY A 89 43.179 23.294 16.874 1.00 0.32 C +ATOM 725 C GLY A 89 44.055 22.222 17.508 1.00 0.32 C +ATOM 726 O GLY A 89 44.655 22.447 18.546 1.00 0.32 O +ATOM 727 N GLY A 90 44.141 21.051 16.896 1.00 8.37 N +ATOM 728 CA GLY A 90 44.943 20.013 17.504 1.00 8.37 C +ATOM 729 C GLY A 90 46.161 19.576 16.740 1.00 8.37 C +ATOM 730 O GLY A 90 47.115 19.165 17.353 1.00 8.37 O +ATOM 731 N PHE A 91 46.133 19.669 15.415 1.00 4.13 N +ATOM 732 CA PHE A 91 47.253 19.227 14.577 1.00 4.13 C +ATOM 733 C PHE A 91 48.484 20.004 14.841 1.00 4.13 C +ATOM 734 O PHE A 91 49.584 19.512 14.631 1.00 4.13 O +ATOM 735 CB PHE A 91 46.893 19.315 13.105 1.00 4.13 C +ATOM 736 CG PHE A 91 45.960 18.236 12.664 1.00 4.13 C +ATOM 737 CD1 PHE A 91 45.235 17.507 13.600 1.00 4.13 C +ATOM 738 CD2 PHE A 91 45.808 17.938 11.314 1.00 4.13 C +ATOM 739 CE1 PHE A 91 44.380 16.501 13.200 1.00 4.13 C +ATOM 740 CE2 PHE A 91 44.952 16.927 10.903 1.00 4.13 C +ATOM 741 CZ PHE A 91 44.236 16.204 11.844 1.00 4.13 C +ATOM 742 N THR A 92 48.312 21.225 15.303 1.00 2.27 N +ATOM 743 CA THR A 92 49.444 22.058 15.624 1.00 2.27 C +ATOM 744 C THR A 92 50.146 21.465 16.853 1.00 2.27 C +ATOM 745 O THR A 92 51.373 21.421 16.935 1.00 2.27 O +ATOM 746 CB THR A 92 48.933 23.469 15.883 1.00 2.27 C +ATOM 747 OG1 THR A 92 47.778 23.401 16.729 1.00 2.27 O +ATOM 748 CG2 THR A 92 48.518 24.120 14.569 1.00 2.27 C +ATOM 749 N THR A 93 49.360 20.981 17.802 1.00 4.72 N +ATOM 750 CA THR A 93 49.926 20.388 18.993 1.00 4.72 C +ATOM 751 C THR A 93 50.468 19.009 18.679 1.00 4.72 C +ATOM 752 O THR A 93 51.507 18.646 19.215 1.00 4.72 O +ATOM 753 CB THR A 93 48.881 20.254 20.117 1.00 4.72 C +ATOM 754 OG1 THR A 93 48.595 21.546 20.658 1.00 4.72 O +ATOM 755 CG2 THR A 93 49.401 19.349 21.233 1.00 4.72 C +ATOM 756 N THR A 94 49.794 18.235 17.832 1.00 20.57 N +ATOM 757 CA THR A 94 50.294 16.897 17.540 1.00 20.57 C +ATOM 758 C THR A 94 51.595 16.932 16.752 1.00 20.57 C +ATOM 759 O THR A 94 52.394 16.019 16.857 1.00 20.57 O +ATOM 760 CB THR A 94 49.245 16.034 16.813 1.00 20.57 C +ATOM 761 OG1 THR A 94 49.913 15.010 16.063 1.00 20.57 O +ATOM 762 CG2 THR A 94 48.389 16.862 15.923 1.00 20.57 C +ATOM 763 N LEU A 95 51.816 17.984 15.982 1.00 1.96 N +ATOM 764 CA LEU A 95 53.072 18.091 15.261 1.00 1.96 C +ATOM 765 C LEU A 95 54.101 18.583 16.238 1.00 1.96 C +ATOM 766 O LEU A 95 55.233 18.137 16.215 1.00 1.96 O +ATOM 767 CB LEU A 95 52.975 19.085 14.110 1.00 1.96 C +ATOM 768 CG LEU A 95 54.327 19.491 13.512 1.00 1.96 C +ATOM 769 CD1 LEU A 95 55.087 18.277 13.016 1.00 1.96 C +ATOM 770 CD2 LEU A 95 54.083 20.446 12.376 1.00 1.96 C +ATOM 771 N TYR A 96 53.704 19.506 17.102 1.00 3.89 N +ATOM 772 CA TYR A 96 54.617 20.049 18.086 1.00 3.89 C +ATOM 773 C TYR A 96 55.055 18.965 19.038 1.00 3.89 C +ATOM 774 O TYR A 96 56.213 18.940 19.449 1.00 3.89 O +ATOM 775 CB TYR A 96 53.940 21.140 18.889 1.00 3.89 C +ATOM 776 CG TYR A 96 54.903 21.858 19.787 1.00 3.89 C +ATOM 777 CD1 TYR A 96 55.786 22.799 19.267 1.00 3.89 C +ATOM 778 CD2 TYR A 96 54.961 21.584 21.151 1.00 3.89 C +ATOM 779 CE1 TYR A 96 56.711 23.461 20.073 1.00 3.89 C +ATOM 780 CE2 TYR A 96 55.885 22.241 21.977 1.00 3.89 C +ATOM 781 CZ TYR A 96 56.763 23.184 21.427 1.00 3.89 C +ATOM 782 OH TYR A 96 57.698 23.847 22.210 1.00 3.89 O +ATOM 783 N THR A 97 54.122 18.092 19.406 1.00 1.20 N +ATOM 784 CA THR A 97 54.373 16.991 20.321 1.00 1.20 C +ATOM 785 C THR A 97 55.240 15.922 19.668 1.00 1.20 C +ATOM 786 O THR A 97 56.152 15.406 20.303 1.00 1.20 O +ATOM 787 CB THR A 97 53.053 16.383 20.741 1.00 1.20 C +ATOM 788 OG1 THR A 97 52.332 17.344 21.522 1.00 1.20 O +ATOM 789 CG2 THR A 97 53.273 15.111 21.521 1.00 1.20 C +ATOM 790 N SER A 98 54.949 15.574 18.417 1.00 0.00 N +ATOM 791 CA SER A 98 55.732 14.573 17.711 1.00 0.00 C +ATOM 792 C SER A 98 57.153 15.036 17.638 1.00 0.00 C +ATOM 793 O SER A 98 58.057 14.224 17.802 1.00 0.00 O +ATOM 794 CB SER A 98 55.207 14.373 16.297 1.00 0.00 C +ATOM 795 OG SER A 98 53.973 13.717 16.329 1.00 0.00 O +ATOM 796 N LEU A 99 57.352 16.338 17.403 1.00 0.04 N +ATOM 797 CA LEU A 99 58.700 16.944 17.275 1.00 0.04 C +ATOM 798 C LEU A 99 59.522 16.848 18.536 1.00 0.04 C +ATOM 799 O LEU A 99 60.732 16.907 18.448 1.00 0.04 O +ATOM 800 CB LEU A 99 58.612 18.422 16.865 1.00 0.04 C +ATOM 801 CG LEU A 99 58.346 18.689 15.382 1.00 0.04 C +ATOM 802 CD1 LEU A 99 58.062 20.146 15.174 1.00 0.04 C +ATOM 803 CD2 LEU A 99 59.532 18.223 14.548 1.00 0.04 C +ATOM 804 N HIS A 100 58.891 16.708 19.693 1.00 4.44 N +ATOM 805 CA HIS A 100 59.630 16.621 20.941 1.00 4.44 C +ATOM 806 C HIS A 100 59.559 15.233 21.537 1.00 4.44 C +ATOM 807 O HIS A 100 60.275 14.955 22.493 1.00 4.44 O +ATOM 808 CB HIS A 100 59.091 17.667 21.910 1.00 4.44 C +ATOM 809 CG HIS A 100 59.284 19.071 21.424 1.00 4.44 C +ATOM 810 ND1 HIS A 100 60.531 19.655 21.300 1.00 4.44 N +ATOM 811 CD2 HIS A 100 58.395 20.005 21.014 1.00 4.44 C +ATOM 812 CE1 HIS A 100 60.401 20.886 20.840 1.00 4.44 C +ATOM 813 NE2 HIS A 100 59.114 21.125 20.659 1.00 4.44 N +ATOM 814 N GLY A 101 58.719 14.365 20.972 1.00 0.31 N +ATOM 815 CA GLY A 101 58.589 13.016 21.489 1.00 0.31 C +ATOM 816 C GLY A 101 57.705 12.924 22.722 1.00 0.31 C +ATOM 817 O GLY A 101 57.713 11.913 23.402 1.00 0.31 O +ATOM 818 N TYR A 102 56.949 13.980 23.019 1.00 0.02 N +ATOM 819 CA TYR A 102 56.048 13.997 24.179 1.00 0.02 C +ATOM 820 C TYR A 102 55.266 15.307 24.238 1.00 0.02 C +ATOM 821 O TYR A 102 55.601 16.273 23.545 1.00 0.02 O +ATOM 822 CB TYR A 102 56.830 13.797 25.500 1.00 0.02 C +ATOM 823 CG TYR A 102 57.514 15.044 26.063 1.00 0.02 C +ATOM 824 CD1 TYR A 102 58.713 15.527 25.524 1.00 0.02 C +ATOM 825 CD2 TYR A 102 56.947 15.742 27.128 1.00 0.02 C +ATOM 826 CE1 TYR A 102 59.329 16.674 26.032 1.00 0.02 C +ATOM 827 CE2 TYR A 102 57.546 16.886 27.645 1.00 0.02 C +ATOM 828 CZ TYR A 102 58.737 17.353 27.095 1.00 0.02 C +ATOM 829 OH TYR A 102 59.308 18.501 27.616 1.00 0.02 O +ATOM 830 N PHE A 103 54.242 15.326 25.087 1.00 0.00 N +ATOM 831 CA PHE A 103 53.371 16.477 25.263 1.00 0.00 C +ATOM 832 C PHE A 103 53.998 17.531 26.149 1.00 0.00 C +ATOM 833 O PHE A 103 53.657 17.627 27.330 1.00 0.00 O +ATOM 834 CB PHE A 103 52.026 16.024 25.842 1.00 0.00 C +ATOM 835 CG PHE A 103 51.060 15.533 24.802 1.00 0.00 C +ATOM 836 CD1 PHE A 103 50.374 16.442 23.993 1.00 0.00 C +ATOM 837 CD2 PHE A 103 50.857 14.173 24.605 1.00 0.00 C +ATOM 838 CE1 PHE A 103 49.503 16.006 23.004 1.00 0.00 C +ATOM 839 CE2 PHE A 103 49.986 13.727 23.615 1.00 0.00 C +ATOM 840 CZ PHE A 103 49.306 14.647 22.811 1.00 0.00 C +ATOM 841 N VAL A 104 54.902 18.327 25.574 1.00 0.21 N +ATOM 842 CA VAL A 104 55.553 19.389 26.327 1.00 0.21 C +ATOM 843 C VAL A 104 54.480 20.264 26.988 1.00 0.21 C +ATOM 844 O VAL A 104 54.658 20.670 28.133 1.00 0.21 O +ATOM 845 CB VAL A 104 56.470 20.304 25.432 1.00 0.21 C +ATOM 846 CG1 VAL A 104 57.146 19.494 24.361 1.00 0.21 C +ATOM 847 CG2 VAL A 104 55.665 21.437 24.836 1.00 0.21 C +ATOM 848 N PHE A 105 53.376 20.545 26.305 1.00 0.11 N +ATOM 849 CA PHE A 105 52.344 21.374 26.921 1.00 0.11 C +ATOM 850 C PHE A 105 51.540 20.607 27.942 1.00 0.11 C +ATOM 851 O PHE A 105 50.456 21.071 28.353 1.00 0.11 O +ATOM 852 CB PHE A 105 51.406 21.926 25.864 1.00 0.11 C +ATOM 853 CG PHE A 105 52.092 22.773 24.862 1.00 0.11 C +ATOM 854 CD1 PHE A 105 52.948 23.801 25.278 1.00 0.11 C +ATOM 855 CD2 PHE A 105 51.902 22.548 23.499 1.00 0.11 C +ATOM 856 CE1 PHE A 105 53.617 24.598 24.357 1.00 0.11 C +ATOM 857 CE2 PHE A 105 52.563 23.338 22.560 1.00 0.11 C +ATOM 858 CZ PHE A 105 53.428 24.371 22.992 1.00 0.11 C +ATOM 859 N GLY A 106 52.032 19.446 28.352 1.00 0.00 N +ATOM 860 CA GLY A 106 51.300 18.677 29.336 1.00 0.00 C +ATOM 861 C GLY A 106 49.846 18.389 28.984 1.00 0.00 C +ATOM 862 O GLY A 106 49.443 18.460 27.829 1.00 0.00 O +ATOM 863 N PRO A 107 49.031 18.045 29.982 1.00 0.11 N +ATOM 864 CA PRO A 107 47.624 17.746 29.726 1.00 0.11 C +ATOM 865 C PRO A 107 46.874 18.753 28.901 1.00 0.11 C +ATOM 866 O PRO A 107 45.934 18.369 28.208 1.00 0.11 O +ATOM 867 CB PRO A 107 47.040 17.563 31.135 1.00 0.11 C +ATOM 868 CG PRO A 107 48.051 18.183 32.042 1.00 0.11 C +ATOM 869 CD PRO A 107 49.349 17.841 31.401 1.00 0.11 C +ATOM 870 N THR A 108 47.268 20.020 28.942 1.00 0.66 N +ATOM 871 CA THR A 108 46.554 21.010 28.143 1.00 0.66 C +ATOM 872 C THR A 108 46.731 20.679 26.672 1.00 0.66 C +ATOM 873 O THR A 108 45.743 20.634 25.929 1.00 0.66 O +ATOM 874 CB THR A 108 47.053 22.434 28.418 1.00 0.66 C +ATOM 875 OG1 THR A 108 46.988 22.695 29.824 1.00 0.66 O +ATOM 876 CG2 THR A 108 46.168 23.443 27.709 1.00 0.66 C +ATOM 877 N GLY A 109 47.972 20.435 26.255 1.00 1.01 N +ATOM 878 CA GLY A 109 48.221 20.085 24.871 1.00 1.01 C +ATOM 879 C GLY A 109 47.509 18.805 24.476 1.00 1.01 C +ATOM 880 O GLY A 109 47.106 18.649 23.342 1.00 1.01 O +ATOM 881 N CYS A 110 47.342 17.902 25.436 1.00 0.00 N +ATOM 882 CA CYS A 110 46.710 16.607 25.237 1.00 0.00 C +ATOM 883 C CYS A 110 45.250 16.801 25.048 1.00 0.00 C +ATOM 884 O CYS A 110 44.613 16.051 24.304 1.00 0.00 O +ATOM 885 CB CYS A 110 46.947 15.741 26.454 1.00 0.00 C +ATOM 886 SG CYS A 110 46.245 14.064 26.418 1.00 0.00 S +ATOM 887 N ASN A 111 44.706 17.802 25.730 1.00 1.43 N +ATOM 888 CA ASN A 111 43.285 18.090 25.621 1.00 1.43 C +ATOM 889 C ASN A 111 42.993 18.725 24.281 1.00 1.43 C +ATOM 890 O ASN A 111 41.990 18.393 23.666 1.00 1.43 O +ATOM 891 CB ASN A 111 42.832 19.007 26.756 1.00 1.43 C +ATOM 892 CG ASN A 111 42.793 18.299 28.096 1.00 1.43 C +ATOM 893 OD1 ASN A 111 42.142 17.268 28.263 1.00 1.43 O +ATOM 894 ND2 ASN A 111 43.488 18.859 29.058 1.00 1.43 N +ATOM 895 N LEU A 112 43.860 19.625 23.823 1.00 0.18 N +ATOM 896 CA LEU A 112 43.666 20.273 22.525 1.00 0.18 C +ATOM 897 C LEU A 112 43.704 19.217 21.470 1.00 0.18 C +ATOM 898 O LEU A 112 42.803 19.126 20.645 1.00 0.18 O +ATOM 899 CB LEU A 112 44.782 21.287 22.260 1.00 0.18 C +ATOM 900 CG LEU A 112 44.800 22.515 23.176 1.00 0.18 C +ATOM 901 CD1 LEU A 112 46.073 23.298 22.920 1.00 0.18 C +ATOM 902 CD2 LEU A 112 43.538 23.372 22.953 1.00 0.18 C +ATOM 903 N GLU A 113 44.770 18.424 21.521 1.00 2.40 N +ATOM 904 CA GLU A 113 45.010 17.316 20.608 1.00 2.40 C +ATOM 905 C GLU A 113 43.772 16.389 20.579 1.00 2.40 C +ATOM 906 O GLU A 113 43.213 16.160 19.505 1.00 2.40 O +ATOM 907 CB GLU A 113 46.260 16.552 21.076 1.00 2.40 C +ATOM 908 CG GLU A 113 47.174 16.079 19.972 1.00 2.40 C +ATOM 909 CD GLU A 113 46.474 15.165 19.002 1.00 2.40 C +ATOM 910 OE1 GLU A 113 45.823 14.211 19.480 1.00 2.40 O +ATOM 911 OE2 GLU A 113 46.574 15.394 17.771 1.00 2.40 O +ATOM 912 N GLY A 114 43.335 15.890 21.739 1.00 0.68 N +ATOM 913 CA GLY A 114 42.184 15.004 21.789 1.00 0.68 C +ATOM 914 C GLY A 114 40.857 15.626 21.392 1.00 0.68 C +ATOM 915 O GLY A 114 40.156 15.093 20.544 1.00 0.68 O +ATOM 916 N PHE A 115 40.525 16.764 21.996 1.00 0.92 N +ATOM 917 CA PHE A 115 39.258 17.466 21.746 1.00 0.92 C +ATOM 918 C PHE A 115 39.011 17.775 20.281 1.00 0.92 C +ATOM 919 O PHE A 115 37.971 17.416 19.743 1.00 0.92 O +ATOM 920 CB PHE A 115 39.188 18.784 22.546 1.00 0.92 C +ATOM 921 CG PHE A 115 37.928 19.574 22.305 1.00 0.92 C +ATOM 922 CD1 PHE A 115 36.707 19.137 22.816 1.00 0.92 C +ATOM 923 CD2 PHE A 115 37.950 20.726 21.523 1.00 0.92 C +ATOM 924 CE1 PHE A 115 35.521 19.832 22.551 1.00 0.92 C +ATOM 925 CE2 PHE A 115 36.768 21.431 21.248 1.00 0.92 C +ATOM 926 CZ PHE A 115 35.553 20.978 21.765 1.00 0.92 C +ATOM 927 N PHE A 116 39.945 18.432 19.625 1.00 1.34 N +ATOM 928 CA PHE A 116 39.698 18.795 18.247 1.00 1.34 C +ATOM 929 C PHE A 116 39.623 17.645 17.300 1.00 1.34 C +ATOM 930 O PHE A 116 38.901 17.749 16.318 1.00 1.34 O +ATOM 931 CB PHE A 116 40.714 19.825 17.796 1.00 1.34 C +ATOM 932 CG PHE A 116 40.407 21.179 18.311 1.00 1.34 C +ATOM 933 CD1 PHE A 116 39.189 21.785 17.992 1.00 1.34 C +ATOM 934 CD2 PHE A 116 41.287 21.828 19.171 1.00 1.34 C +ATOM 935 CE1 PHE A 116 38.850 23.025 18.529 1.00 1.34 C +ATOM 936 CE2 PHE A 116 40.955 23.067 19.711 1.00 1.34 C +ATOM 937 CZ PHE A 116 39.734 23.668 19.392 1.00 1.34 C +ATOM 938 N ALA A 117 40.340 16.560 17.555 1.00 0.14 N +ATOM 939 CA ALA A 117 40.268 15.418 16.653 1.00 0.14 C +ATOM 940 C ALA A 117 38.926 14.719 16.852 1.00 0.14 C +ATOM 941 O ALA A 117 38.318 14.207 15.906 1.00 0.14 O +ATOM 942 CB ALA A 117 41.385 14.475 16.941 1.00 0.14 C +ATOM 943 N THR A 118 38.467 14.714 18.098 1.00 2.14 N +ATOM 944 CA THR A 118 37.192 14.105 18.457 1.00 2.14 C +ATOM 945 C THR A 118 36.070 14.962 17.890 1.00 2.14 C +ATOM 946 O THR A 118 35.169 14.443 17.193 1.00 2.14 O +ATOM 947 CB THR A 118 37.059 14.017 19.990 1.00 2.14 C +ATOM 948 OG1 THR A 118 38.126 13.214 20.508 1.00 2.14 O +ATOM 949 CG2 THR A 118 35.741 13.391 20.385 1.00 2.14 C +ATOM 950 N LEU A 119 36.125 16.260 18.183 1.00 0.04 N +ATOM 951 CA LEU A 119 35.141 17.216 17.691 1.00 0.04 C +ATOM 952 C LEU A 119 35.006 17.043 16.174 1.00 0.04 C +ATOM 953 O LEU A 119 33.899 16.961 15.643 1.00 0.04 O +ATOM 954 CB LEU A 119 35.613 18.639 18.016 1.00 0.04 C +ATOM 955 CG LEU A 119 34.595 19.613 18.594 1.00 0.04 C +ATOM 956 CD1 LEU A 119 35.031 21.034 18.280 1.00 0.04 C +ATOM 957 CD2 LEU A 119 33.234 19.327 17.985 1.00 0.04 C +ATOM 958 N GLY A 120 36.149 16.965 15.499 1.00 0.96 N +ATOM 959 CA GLY A 120 36.167 16.817 14.053 1.00 0.96 C +ATOM 960 C GLY A 120 35.584 15.526 13.515 1.00 0.96 C +ATOM 961 O GLY A 120 34.774 15.540 12.590 1.00 0.96 O +ATOM 962 N GLY A 121 36.000 14.401 14.074 1.00 0.00 N +ATOM 963 CA GLY A 121 35.471 13.138 13.606 1.00 0.00 C +ATOM 964 C GLY A 121 33.979 13.019 13.880 1.00 0.00 C +ATOM 965 O GLY A 121 33.221 12.536 13.017 1.00 0.00 O +ATOM 966 N GLU A 122 33.560 13.469 15.072 1.00 15.55 N +ATOM 967 CA GLU A 122 32.159 13.396 15.494 1.00 15.55 C +ATOM 968 C GLU A 122 31.259 14.366 14.732 1.00 15.55 C +ATOM 969 O GLU A 122 30.062 14.091 14.566 1.00 15.55 O +ATOM 970 CB GLU A 122 32.039 13.619 17.007 1.00 15.55 C +ATOM 971 CG GLU A 122 32.225 12.355 17.839 1.00 15.55 C +ATOM 972 CD GLU A 122 31.240 11.244 17.481 1.00 15.55 C +ATOM 973 OE1 GLU A 122 30.049 11.544 17.254 1.00 15.55 O +ATOM 974 OE2 GLU A 122 31.649 10.062 17.443 1.00 15.55 O +ATOM 975 N ILE A 123 31.784 15.502 14.272 1.00 0.22 N +ATOM 976 CA ILE A 123 30.955 16.425 13.494 1.00 0.22 C +ATOM 977 C ILE A 123 30.746 15.817 12.111 1.00 0.22 C +ATOM 978 O ILE A 123 29.715 16.048 11.460 1.00 0.22 O +ATOM 979 CB ILE A 123 31.607 17.816 13.370 1.00 0.22 C +ATOM 980 CG1 ILE A 123 31.367 18.607 14.655 1.00 0.22 C +ATOM 981 CG2 ILE A 123 31.021 18.569 12.173 1.00 0.22 C +ATOM 982 CD1 ILE A 123 32.145 19.891 14.721 1.00 0.22 C +ATOM 983 N ALA A 124 31.730 15.039 11.666 1.00 4.91 N +ATOM 984 CA ALA A 124 31.636 14.352 10.391 1.00 4.91 C +ATOM 985 C ALA A 124 30.582 13.267 10.528 1.00 4.91 C +ATOM 986 O ALA A 124 29.701 13.171 9.693 1.00 4.91 O +ATOM 987 CB ALA A 124 32.968 13.739 10.031 1.00 4.91 C +ATOM 988 N LEU A 125 30.665 12.463 11.589 1.00100.00 N +ATOM 989 CA LEU A 125 29.704 11.375 11.834 1.00100.00 C +ATOM 990 C LEU A 125 28.282 11.895 11.884 1.00100.00 C +ATOM 991 O LEU A 125 27.410 11.354 11.224 1.00100.00 O +ATOM 992 CB LEU A 125 30.019 10.654 13.155 1.00100.00 C +ATOM 993 CG LEU A 125 29.030 9.604 13.678 1.00100.00 C +ATOM 994 CD1 LEU A 125 28.914 8.466 12.670 1.00100.00 C +ATOM 995 CD2 LEU A 125 29.477 9.092 15.057 1.00100.00 C +ATOM 996 N TRP A 126 28.041 12.940 12.660 1.00 0.39 N +ATOM 997 CA TRP A 126 26.703 13.453 12.753 1.00 0.39 C +ATOM 998 C TRP A 126 26.290 14.130 11.481 1.00 0.39 C +ATOM 999 O TRP A 126 25.110 14.088 11.143 1.00 0.39 O +ATOM 1000 CB TRP A 126 26.592 14.387 13.941 1.00 0.39 C +ATOM 1001 CG TRP A 126 26.599 13.630 15.210 1.00 0.39 C +ATOM 1002 CD1 TRP A 126 27.573 13.622 16.159 1.00 0.39 C +ATOM 1003 CD2 TRP A 126 25.596 12.721 15.658 1.00 0.39 C +ATOM 1004 NE1 TRP A 126 27.244 12.762 17.176 1.00 0.39 N +ATOM 1005 CE2 TRP A 126 26.032 12.194 16.892 1.00 0.39 C +ATOM 1006 CE3 TRP A 126 24.370 12.297 15.135 1.00 0.39 C +ATOM 1007 CZ2 TRP A 126 25.285 11.263 17.613 1.00 0.39 C +ATOM 1008 CZ3 TRP A 126 23.628 11.375 15.850 1.00 0.39 C +ATOM 1009 CH2 TRP A 126 24.089 10.867 17.078 1.00 0.39 C +ATOM 1010 N SER A 127 27.223 14.749 10.767 1.00 0.00 N +ATOM 1011 CA SER A 127 26.855 15.402 9.517 1.00 0.00 C +ATOM 1012 C SER A 127 26.419 14.344 8.515 1.00 0.00 C +ATOM 1013 O SER A 127 25.696 14.666 7.577 1.00 0.00 O +ATOM 1014 CB SER A 127 28.020 16.218 8.954 1.00 0.00 C +ATOM 1015 OG SER A 127 28.178 17.438 9.655 1.00 0.00 O +ATOM 1016 N LEU A 128 26.842 13.095 8.717 1.00 0.00 N +ATOM 1017 CA LEU A 128 26.466 11.988 7.825 1.00 0.00 C +ATOM 1018 C LEU A 128 25.049 11.524 8.102 1.00 0.00 C +ATOM 1019 O LEU A 128 24.365 11.079 7.187 1.00 0.00 O +ATOM 1020 CB LEU A 128 27.412 10.803 7.991 1.00 0.00 C +ATOM 1021 CG LEU A 128 28.738 10.996 7.270 1.00 0.00 C +ATOM 1022 CD1 LEU A 128 29.651 9.812 7.537 1.00 0.00 C +ATOM 1023 CD2 LEU A 128 28.465 11.159 5.775 1.00 0.00 C +ATOM 1024 N VAL A 129 24.618 11.600 9.359 1.00 0.09 N +ATOM 1025 CA VAL A 129 23.264 11.197 9.709 1.00 0.09 C +ATOM 1026 C VAL A 129 22.305 12.220 9.100 1.00 0.09 C +ATOM 1027 O VAL A 129 21.247 11.831 8.564 1.00 0.09 O +ATOM 1028 CB VAL A 129 23.074 11.126 11.249 1.00 0.09 C +ATOM 1029 CG1 VAL A 129 21.662 10.683 11.568 1.00 0.09 C +ATOM 1030 CG2 VAL A 129 24.064 10.153 11.860 1.00 0.09 C +ATOM 1031 N VAL A 130 22.679 13.504 9.166 1.00 0.05 N +ATOM 1032 CA VAL A 130 21.869 14.585 8.602 1.00 0.05 C +ATOM 1033 C VAL A 130 21.708 14.342 7.099 1.00 0.05 C +ATOM 1034 O VAL A 130 20.589 14.379 6.573 1.00 0.05 O +ATOM 1035 CB VAL A 130 22.531 15.967 8.850 1.00 0.05 C +ATOM 1036 CG1 VAL A 130 21.680 17.080 8.282 1.00 0.05 C +ATOM 1037 CG2 VAL A 130 22.725 16.172 10.335 1.00 0.05 C +ATOM 1038 N LEU A 131 22.815 14.076 6.413 1.00 0.00 N +ATOM 1039 CA LEU A 131 22.770 13.806 4.983 1.00 0.00 C +ATOM 1040 C LEU A 131 21.883 12.582 4.723 1.00 0.00 C +ATOM 1041 O LEU A 131 21.042 12.617 3.826 1.00 0.00 O +ATOM 1042 CB LEU A 131 24.200 13.588 4.455 1.00 0.00 C +ATOM 1043 CG LEU A 131 25.024 14.818 4.033 1.00 0.00 C +ATOM 1044 CD1 LEU A 131 24.694 16.021 4.877 1.00 0.00 C +ATOM 1045 CD2 LEU A 131 26.496 14.493 4.142 1.00 0.00 C +ATOM 1046 N ALA A 132 22.059 11.518 5.505 1.00 0.00 N +ATOM 1047 CA ALA A 132 21.253 10.309 5.345 1.00 0.00 C +ATOM 1048 C ALA A 132 19.795 10.701 5.339 1.00 0.00 C +ATOM 1049 O ALA A 132 19.041 10.240 4.499 1.00 0.00 O +ATOM 1050 CB ALA A 132 21.530 9.334 6.487 1.00 0.00 C +ATOM 1051 N ILE A 133 19.405 11.555 6.274 1.00 0.80 N +ATOM 1052 CA ILE A 133 18.033 12.012 6.355 1.00 0.80 C +ATOM 1053 C ILE A 133 17.693 12.818 5.133 1.00 0.80 C +ATOM 1054 O ILE A 133 16.884 12.388 4.324 1.00 0.80 O +ATOM 1055 CB ILE A 133 17.824 12.883 7.585 1.00 0.80 C +ATOM 1056 CG1 ILE A 133 18.160 12.072 8.835 1.00 0.80 C +ATOM 1057 CG2 ILE A 133 16.412 13.426 7.609 1.00 0.80 C +ATOM 1058 CD1 ILE A 133 17.660 10.630 8.792 1.00 0.80 C +ATOM 1059 N GLU A 134 18.304 13.987 4.999 1.00 0.00 N +ATOM 1060 CA GLU A 134 18.049 14.837 3.853 1.00 0.00 C +ATOM 1061 C GLU A 134 18.027 13.981 2.618 1.00 0.00 C +ATOM 1062 O GLU A 134 17.140 14.106 1.787 1.00 0.00 O +ATOM 1063 CB GLU A 134 19.144 15.895 3.730 1.00 0.00 C +ATOM 1064 CG GLU A 134 18.834 16.994 2.714 1.00 0.00 C +ATOM 1065 CD GLU A 134 19.454 16.766 1.331 1.00 0.00 C +ATOM 1066 OE1 GLU A 134 19.438 15.613 0.837 1.00 0.00 O +ATOM 1067 OE2 GLU A 134 19.943 17.762 0.736 1.00 0.00 O +ATOM 1068 N ARG A 135 18.999 13.092 2.504 1.00 0.00 N +ATOM 1069 CA ARG A 135 19.080 12.224 1.347 1.00 0.00 C +ATOM 1070 C ARG A 135 17.793 11.452 1.208 1.00 0.00 C +ATOM 1071 O ARG A 135 17.230 11.334 0.125 1.00 0.00 O +ATOM 1072 CB ARG A 135 20.240 11.255 1.501 1.00 0.00 C +ATOM 1073 CG ARG A 135 20.580 10.566 0.220 1.00 0.00 C +ATOM 1074 CD ARG A 135 21.352 11.498 -0.715 1.00 0.00 C +ATOM 1075 NE ARG A 135 20.828 12.865 -0.770 1.00 0.00 N +ATOM 1076 CZ ARG A 135 20.351 13.447 -1.869 1.00 0.00 C +ATOM 1077 NH1 ARG A 135 20.314 12.786 -3.023 1.00 0.00 N +ATOM 1078 NH2 ARG A 135 19.929 14.701 -1.819 1.00 0.00 N +ATOM 1079 N TYR A 136 17.327 10.926 2.326 1.00 0.00 N +ATOM 1080 CA TYR A 136 16.115 10.147 2.359 1.00 0.00 C +ATOM 1081 C TYR A 136 14.938 11.005 1.993 1.00 0.00 C +ATOM 1082 O TYR A 136 14.220 10.699 1.059 1.00 0.00 O +ATOM 1083 CB TYR A 136 15.909 9.599 3.752 1.00 0.00 C +ATOM 1084 CG TYR A 136 14.685 8.763 3.837 1.00 0.00 C +ATOM 1085 CD1 TYR A 136 14.676 7.473 3.309 1.00 0.00 C +ATOM 1086 CD2 TYR A 136 13.512 9.268 4.393 1.00 0.00 C +ATOM 1087 CE1 TYR A 136 13.532 6.702 3.327 1.00 0.00 C +ATOM 1088 CE2 TYR A 136 12.357 8.512 4.415 1.00 0.00 C +ATOM 1089 CZ TYR A 136 12.377 7.225 3.878 1.00 0.00 C +ATOM 1090 OH TYR A 136 11.250 6.447 3.875 1.00 0.00 O +ATOM 1091 N VAL A 137 14.740 12.083 2.737 1.00 0.06 N +ATOM 1092 CA VAL A 137 13.622 12.979 2.503 1.00 0.06 C +ATOM 1093 C VAL A 137 13.493 13.369 1.049 1.00 0.06 C +ATOM 1094 O VAL A 137 12.384 13.562 0.586 1.00 0.06 O +ATOM 1095 CB VAL A 137 13.742 14.250 3.363 1.00 0.06 C +ATOM 1096 CG1 VAL A 137 12.711 15.271 2.956 1.00 0.06 C +ATOM 1097 CG2 VAL A 137 13.538 13.896 4.799 1.00 0.06 C +ATOM 1098 N VAL A 138 14.588 13.490 0.312 1.00 0.00 N +ATOM 1099 CA VAL A 138 14.447 13.889 -1.083 1.00 0.00 C +ATOM 1100 C VAL A 138 14.168 12.695 -1.956 1.00 0.00 C +ATOM 1101 O VAL A 138 13.284 12.769 -2.800 1.00 0.00 O +ATOM 1102 CB VAL A 138 15.698 14.610 -1.604 1.00 0.00 C +ATOM 1103 CG1 VAL A 138 15.964 15.854 -0.772 1.00 0.00 C +ATOM 1104 CG2 VAL A 138 16.888 13.673 -1.561 1.00 0.00 C +ATOM 1105 N VAL A 139 14.898 11.600 -1.757 1.00 0.00 N +ATOM 1106 CA VAL A 139 14.707 10.400 -2.568 1.00 0.00 C +ATOM 1107 C VAL A 139 13.369 9.757 -2.271 1.00 0.00 C +ATOM 1108 O VAL A 139 12.459 9.863 -3.085 1.00 0.00 O +ATOM 1109 CB VAL A 139 15.839 9.378 -2.339 1.00 0.00 C +ATOM 1110 CG1 VAL A 139 15.461 8.036 -2.925 1.00 0.00 C +ATOM 1111 CG2 VAL A 139 17.112 9.882 -2.990 1.00 0.00 C +ATOM 1112 N CYS A 140 13.233 9.102 -1.123 1.00 0.00 N +ATOM 1113 CA CYS A 140 11.970 8.459 -0.776 1.00 0.00 C +ATOM 1114 C CYS A 140 10.884 9.504 -0.448 1.00 0.00 C +ATOM 1115 O CYS A 140 9.773 9.141 -0.060 1.00 0.00 O +ATOM 1116 CB CYS A 140 12.198 7.492 0.391 1.00 0.00 C +ATOM 1117 SG CYS A 140 13.338 6.132 -0.026 1.00 0.00 S +ATOM 1118 N LYS A 141 11.217 10.783 -0.639 1.00 0.03 N +ATOM 1119 CA LYS A 141 10.338 11.948 -0.408 1.00 0.03 C +ATOM 1120 C LYS A 141 9.090 11.656 0.453 1.00 0.03 C +ATOM 1121 O LYS A 141 8.046 11.291 -0.096 1.00 0.03 O +ATOM 1122 CB LYS A 141 9.917 12.551 -1.760 1.00 0.03 C +ATOM 1123 CG LYS A 141 9.454 13.998 -1.680 1.00 0.03 C +ATOM 1124 CD LYS A 141 9.399 14.627 -3.055 1.00 0.03 C +ATOM 1125 CE LYS A 141 9.160 16.122 -2.961 1.00 0.03 C +ATOM 1126 NZ LYS A 141 9.227 16.777 -4.300 1.00 0.03 N +ATOM 1127 N PRO A 142 9.183 11.838 1.798 1.00 0.00 N +ATOM 1128 CA PRO A 142 8.106 11.619 2.785 1.00 0.00 C +ATOM 1129 C PRO A 142 6.910 12.563 2.672 1.00 0.00 C +ATOM 1130 O PRO A 142 5.779 12.140 2.923 1.00 0.00 O +ATOM 1131 CB PRO A 142 8.826 11.778 4.127 1.00 0.00 C +ATOM 1132 CG PRO A 142 10.216 11.326 3.823 1.00 0.00 C +ATOM 1133 CD PRO A 142 10.473 12.010 2.495 1.00 0.00 C +ATOM 1134 N MET A 143 7.156 13.827 2.331 1.00 0.28 N +ATOM 1135 CA MET A 143 6.079 14.805 2.170 1.00 0.28 C +ATOM 1136 C MET A 143 5.697 14.887 0.718 1.00 0.28 C +ATOM 1137 O MET A 143 6.450 14.442 -0.150 1.00 0.28 O +ATOM 1138 CB MET A 143 6.510 16.196 2.636 1.00 0.28 C +ATOM 1139 CG MET A 143 6.479 16.399 4.132 1.00 0.28 C +ATOM 1140 SD MET A 143 7.517 15.222 4.983 1.00 0.28 S +ATOM 1141 CE MET A 143 6.259 14.100 5.656 1.00 0.28 C +ATOM 1142 N SER A 144 4.534 15.462 0.447 1.00 0.01 N +ATOM 1143 CA SER A 144 4.069 15.587 -0.922 1.00 0.01 C +ATOM 1144 C SER A 144 4.270 17.008 -1.397 1.00 0.01 C +ATOM 1145 O SER A 144 3.679 17.408 -2.405 1.00 0.01 O +ATOM 1146 CB SER A 144 2.591 15.190 -1.013 1.00 0.01 C +ATOM 1147 OG SER A 144 2.413 13.816 -0.689 1.00 0.01 O +ATOM 1148 N ASN A 145 5.112 17.761 -0.693 1.00 0.00 N +ATOM 1149 CA ASN A 145 5.369 19.151 -1.060 1.00 0.00 C +ATOM 1150 C ASN A 145 6.400 19.775 -0.136 1.00 0.00 C +ATOM 1151 O ASN A 145 6.288 20.967 0.175 1.00 0.00 O +ATOM 1152 CB ASN A 145 4.062 19.954 -0.981 1.00 0.00 C +ATOM 1153 CG ASN A 145 3.403 19.856 0.390 1.00 0.00 C +ATOM 1154 OD1 ASN A 145 3.073 18.758 0.861 1.00 0.00 O +ATOM 1155 ND2 ASN A 145 3.213 21.003 1.040 1.00 0.00 N +ATOM 1156 N PHE A 146 7.404 19.004 0.288 1.00 0.00 N +ATOM 1157 CA PHE A 146 8.420 19.536 1.197 1.00 0.00 C +ATOM 1158 C PHE A 146 9.783 19.747 0.532 1.00 0.00 C +ATOM 1159 O PHE A 146 10.156 19.021 -0.401 1.00 0.00 O +ATOM 1160 CB PHE A 146 8.599 18.618 2.404 1.00 0.00 C +ATOM 1161 CG PHE A 146 9.640 19.102 3.374 1.00 0.00 C +ATOM 1162 CD1 PHE A 146 9.388 20.199 4.197 1.00 0.00 C +ATOM 1163 CD2 PHE A 146 10.892 18.488 3.437 1.00 0.00 C +ATOM 1164 CE1 PHE A 146 10.369 20.676 5.069 1.00 0.00 C +ATOM 1165 CE2 PHE A 146 11.879 18.958 4.302 1.00 0.00 C +ATOM 1166 CZ PHE A 146 11.616 20.053 5.120 1.00 0.00 C +ATOM 1167 N ARG A 147 10.523 20.733 1.054 1.00 0.23 N +ATOM 1168 CA ARG A 147 11.858 21.103 0.570 1.00 0.23 C +ATOM 1169 C ARG A 147 12.668 21.744 1.705 1.00 0.23 C +ATOM 1170 O ARG A 147 12.159 22.633 2.415 1.00 0.23 O +ATOM 1171 CB ARG A 147 11.741 22.102 -0.585 1.00 0.23 C +ATOM 1172 CG ARG A 147 13.067 22.497 -1.224 1.00 0.23 C +ATOM 1173 CD ARG A 147 12.894 23.730 -2.112 1.00 0.23 C +ATOM 1174 NE ARG A 147 12.633 24.944 -1.335 1.00 0.23 N +ATOM 1175 CZ ARG A 147 12.365 26.144 -1.858 1.00 0.23 C +ATOM 1176 NH1 ARG A 147 12.314 26.312 -3.177 1.00 0.23 N +ATOM 1177 NH2 ARG A 147 12.157 27.188 -1.059 1.00 0.23 N +ATOM 1178 N PHE A 148 13.918 21.305 1.859 1.00 0.00 N +ATOM 1179 CA PHE A 148 14.805 21.820 2.896 1.00 0.00 C +ATOM 1180 C PHE A 148 15.227 23.241 2.602 1.00 0.00 C +ATOM 1181 O PHE A 148 15.880 23.485 1.595 1.00 0.00 O +ATOM 1182 CB PHE A 148 16.050 20.945 3.000 1.00 0.00 C +ATOM 1183 CG PHE A 148 15.789 19.603 3.589 1.00 0.00 C +ATOM 1184 CD1 PHE A 148 15.522 19.472 4.941 1.00 0.00 C +ATOM 1185 CD2 PHE A 148 15.786 18.468 2.793 1.00 0.00 C +ATOM 1186 CE1 PHE A 148 15.252 18.229 5.491 1.00 0.00 C +ATOM 1187 CE2 PHE A 148 15.517 17.218 3.338 1.00 0.00 C +ATOM 1188 CZ PHE A 148 15.249 17.100 4.686 1.00 0.00 C +ATOM 1189 N GLY A 149 14.850 24.177 3.466 1.00 0.16 N +ATOM 1190 CA GLY A 149 15.264 25.550 3.266 1.00 0.16 C +ATOM 1191 C GLY A 149 16.660 25.675 3.851 1.00 0.16 C +ATOM 1192 O GLY A 149 17.214 24.699 4.361 1.00 0.16 O +ATOM 1193 N GLU A 150 17.245 26.863 3.777 1.00 0.93 N +ATOM 1194 CA GLU A 150 18.574 27.074 4.328 1.00 0.93 C +ATOM 1195 C GLU A 150 18.506 26.996 5.828 1.00 0.93 C +ATOM 1196 O GLU A 150 19.483 26.681 6.503 1.00 0.93 O +ATOM 1197 CB GLU A 150 19.101 28.426 3.878 1.00 0.93 C +ATOM 1198 CG GLU A 150 19.810 28.329 2.553 1.00 0.93 C +ATOM 1199 CD GLU A 150 19.896 29.647 1.844 1.00 0.93 C +ATOM 1200 OE1 GLU A 150 20.184 30.670 2.500 1.00 0.93 O +ATOM 1201 OE2 GLU A 150 19.680 29.652 0.616 1.00 0.93 O +ATOM 1202 N ASN A 151 17.328 27.283 6.347 1.00 2.27 N +ATOM 1203 CA ASN A 151 17.094 27.227 7.770 1.00 2.27 C +ATOM 1204 C ASN A 151 17.369 25.808 8.240 1.00 2.27 C +ATOM 1205 O ASN A 151 18.169 25.611 9.156 1.00 2.27 O +ATOM 1206 CB ASN A 151 15.647 27.658 8.050 1.00 2.27 C +ATOM 1207 CG ASN A 151 14.642 27.002 7.103 1.00 2.27 C +ATOM 1208 OD1 ASN A 151 14.849 26.943 5.886 1.00 2.27 O +ATOM 1209 ND2 ASN A 151 13.535 26.521 7.663 1.00 2.27 N +ATOM 1210 N HIS A 152 16.736 24.831 7.595 1.00 0.00 N +ATOM 1211 CA HIS A 152 16.915 23.420 7.940 1.00 0.00 C +ATOM 1212 C HIS A 152 18.384 23.089 7.922 1.00 0.00 C +ATOM 1213 O HIS A 152 18.886 22.516 8.875 1.00 0.00 O +ATOM 1214 CB HIS A 152 16.183 22.521 6.936 1.00 0.00 C +ATOM 1215 CG HIS A 152 14.735 22.867 6.753 1.00 0.00 C +ATOM 1216 ND1 HIS A 152 13.981 22.392 5.699 1.00 0.00 N +ATOM 1217 CD2 HIS A 152 13.908 23.661 7.477 1.00 0.00 C +ATOM 1218 CE1 HIS A 152 12.755 22.883 5.779 1.00 0.00 C +ATOM 1219 NE2 HIS A 152 12.685 23.656 6.849 1.00 0.00 N +ATOM 1220 N ALA A 153 19.069 23.452 6.843 1.00 0.02 N +ATOM 1221 CA ALA A 153 20.493 23.187 6.718 1.00 0.02 C +ATOM 1222 C ALA A 153 21.223 23.716 7.934 1.00 0.02 C +ATOM 1223 O ALA A 153 22.113 23.061 8.474 1.00 0.02 O +ATOM 1224 CB ALA A 153 21.022 23.839 5.462 1.00 0.02 C +ATOM 1225 N ILE A 154 20.842 24.902 8.368 1.00 0.28 N +ATOM 1226 CA ILE A 154 21.464 25.505 9.521 1.00 0.28 C +ATOM 1227 C ILE A 154 21.033 24.755 10.761 1.00 0.28 C +ATOM 1228 O ILE A 154 21.677 24.812 11.791 1.00 0.28 O +ATOM 1229 CB ILE A 154 21.075 26.969 9.586 1.00 0.28 C +ATOM 1230 CG1 ILE A 154 21.396 27.614 8.242 1.00 0.28 C +ATOM 1231 CG2 ILE A 154 21.847 27.661 10.670 1.00 0.28 C +ATOM 1232 CD1 ILE A 154 20.961 29.022 8.114 1.00 0.28 C +ATOM 1233 N MET A 155 19.935 24.032 10.652 1.00 0.10 N +ATOM 1234 CA MET A 155 19.456 23.248 11.771 1.00 0.10 C +ATOM 1235 C MET A 155 20.309 22.042 11.889 1.00 0.10 C +ATOM 1236 O MET A 155 20.801 21.744 12.961 1.00 0.10 O +ATOM 1237 CB MET A 155 18.011 22.818 11.546 1.00 0.10 C +ATOM 1238 CG MET A 155 17.064 23.980 11.540 1.00 0.10 C +ATOM 1239 SD MET A 155 17.322 24.921 13.062 1.00 0.10 S +ATOM 1240 CE MET A 155 18.672 26.152 12.569 1.00 0.10 C +ATOM 1241 N GLY A 156 20.474 21.343 10.776 1.00 0.00 N +ATOM 1242 CA GLY A 156 21.287 20.154 10.771 1.00 0.00 C +ATOM 1243 C GLY A 156 22.675 20.530 11.221 1.00 0.00 C +ATOM 1244 O GLY A 156 23.258 19.860 12.065 1.00 0.00 O +ATOM 1245 N VAL A 157 23.202 21.621 10.682 1.00 0.27 N +ATOM 1246 CA VAL A 157 24.540 22.029 11.061 1.00 0.27 C +ATOM 1247 C VAL A 157 24.626 22.297 12.537 1.00 0.27 C +ATOM 1248 O VAL A 157 25.591 21.899 13.165 1.00 0.27 O +ATOM 1249 CB VAL A 157 24.988 23.262 10.291 1.00 0.27 C +ATOM 1250 CG1 VAL A 157 26.203 23.881 10.962 1.00 0.27 C +ATOM 1251 CG2 VAL A 157 25.320 22.861 8.867 1.00 0.27 C +ATOM 1252 N ALA A 158 23.628 22.962 13.096 1.00 0.16 N +ATOM 1253 CA ALA A 158 23.628 23.267 14.526 1.00 0.16 C +ATOM 1254 C ALA A 158 23.559 21.974 15.325 1.00 0.16 C +ATOM 1255 O ALA A 158 24.129 21.864 16.406 1.00 0.16 O +ATOM 1256 CB ALA A 158 22.431 24.150 14.858 1.00 0.16 C +ATOM 1257 N PHE A 159 22.855 21.000 14.772 1.00 0.58 N +ATOM 1258 CA PHE A 159 22.656 19.711 15.406 1.00 0.58 C +ATOM 1259 C PHE A 159 23.954 18.937 15.488 1.00 0.58 C +ATOM 1260 O PHE A 159 24.227 18.290 16.505 1.00 0.58 O +ATOM 1261 CB PHE A 159 21.611 18.930 14.602 1.00 0.58 C +ATOM 1262 CG PHE A 159 21.635 17.445 14.832 1.00 0.58 C +ATOM 1263 CD1 PHE A 159 21.179 16.898 16.018 1.00 0.58 C +ATOM 1264 CD2 PHE A 159 22.106 16.588 13.846 1.00 0.58 C +ATOM 1265 CE1 PHE A 159 21.189 15.515 16.218 1.00 0.58 C +ATOM 1266 CE2 PHE A 159 22.119 15.206 14.038 1.00 0.58 C +ATOM 1267 CZ PHE A 159 21.659 14.672 15.226 1.00 0.58 C +ATOM 1268 N THR A 160 24.752 18.990 14.430 1.00 0.01 N +ATOM 1269 CA THR A 160 26.001 18.252 14.420 1.00 0.01 C +ATOM 1270 C THR A 160 26.926 18.764 15.504 1.00 0.01 C +ATOM 1271 O THR A 160 27.655 17.963 16.086 1.00 0.01 O +ATOM 1272 CB THR A 160 26.708 18.343 13.052 1.00 0.01 C +ATOM 1273 OG1 THR A 160 27.057 19.704 12.777 1.00 0.01 O +ATOM 1274 CG2 THR A 160 25.810 17.821 11.955 1.00 0.01 C +ATOM 1275 N TRP A 161 26.898 20.068 15.790 1.00 0.00 N +ATOM 1276 CA TRP A 161 27.763 20.645 16.824 1.00 0.00 C +ATOM 1277 C TRP A 161 27.278 20.353 18.221 1.00 0.00 C +ATOM 1278 O TRP A 161 28.080 20.335 19.149 1.00 0.00 O +ATOM 1279 CB TRP A 161 27.866 22.144 16.679 1.00 0.00 C +ATOM 1280 CG TRP A 161 28.771 22.538 15.627 1.00 0.00 C +ATOM 1281 CD1 TRP A 161 28.479 22.671 14.301 1.00 0.00 C +ATOM 1282 CD2 TRP A 161 30.154 22.860 15.778 1.00 0.00 C +ATOM 1283 NE1 TRP A 161 29.602 23.066 13.613 1.00 0.00 N +ATOM 1284 CE2 TRP A 161 30.647 23.189 14.495 1.00 0.00 C +ATOM 1285 CE3 TRP A 161 31.029 22.902 16.872 1.00 0.00 C +ATOM 1286 CZ2 TRP A 161 31.988 23.563 14.274 1.00 0.00 C +ATOM 1287 CZ3 TRP A 161 32.364 23.275 16.654 1.00 0.00 C +ATOM 1288 CH2 TRP A 161 32.827 23.601 15.360 1.00 0.00 C +ATOM 1289 N VAL A 162 25.979 20.166 18.402 1.00 8.55 N +ATOM 1290 CA VAL A 162 25.492 19.853 19.726 1.00 8.55 C +ATOM 1291 C VAL A 162 25.884 18.429 20.015 1.00 8.55 C +ATOM 1292 O VAL A 162 26.432 18.137 21.073 1.00 8.55 O +ATOM 1293 CB VAL A 162 23.982 19.988 19.786 1.00 8.55 C +ATOM 1294 CG1 VAL A 162 23.489 19.628 21.155 1.00 8.55 C +ATOM 1295 CG2 VAL A 162 23.592 21.404 19.422 1.00 8.55 C +ATOM 1296 N MET A 163 25.637 17.551 19.049 1.00 0.20 N +ATOM 1297 CA MET A 163 25.950 16.138 19.205 1.00 0.20 C +ATOM 1298 C MET A 163 27.428 15.904 19.382 1.00 0.20 C +ATOM 1299 O MET A 163 27.811 15.115 20.232 1.00 0.20 O +ATOM 1300 CB MET A 163 25.460 15.351 17.995 1.00 0.20 C +ATOM 1301 CG MET A 163 23.969 15.433 17.789 1.00 0.20 C +ATOM 1302 SD MET A 163 23.114 15.106 19.346 1.00 0.20 S +ATOM 1303 CE MET A 163 23.521 13.367 19.596 1.00 0.20 C +ATOM 1304 N ALA A 164 28.248 16.583 18.587 1.00 1.30 N +ATOM 1305 CA ALA A 164 29.692 16.415 18.646 1.00 1.30 C +ATOM 1306 C ALA A 164 30.241 16.946 19.940 1.00 1.30 C +ATOM 1307 O ALA A 164 31.168 16.350 20.496 1.00 1.30 O +ATOM 1308 CB ALA A 164 30.339 17.122 17.478 1.00 1.30 C +ATOM 1309 N LEU A 165 29.694 18.064 20.412 1.00 0.63 N +ATOM 1310 CA LEU A 165 30.136 18.676 21.668 1.00 0.63 C +ATOM 1311 C LEU A 165 29.749 17.765 22.823 1.00 0.63 C +ATOM 1312 O LEU A 165 30.493 17.645 23.806 1.00 0.63 O +ATOM 1313 CB LEU A 165 29.475 20.054 21.867 1.00 0.63 C +ATOM 1314 CG LEU A 165 30.150 21.363 21.437 1.00 0.63 C +ATOM 1315 CD1 LEU A 165 31.448 21.542 22.180 1.00 0.63 C +ATOM 1316 CD2 LEU A 165 30.410 21.358 19.975 1.00 0.63 C +ATOM 1317 N ALA A 166 28.587 17.131 22.696 1.00 0.76 N +ATOM 1318 CA ALA A 166 28.072 16.231 23.716 1.00 0.76 C +ATOM 1319 C ALA A 166 29.048 15.103 23.951 1.00 0.76 C +ATOM 1320 O ALA A 166 29.078 14.491 25.009 1.00 0.76 O +ATOM 1321 CB ALA A 166 26.734 15.670 23.267 1.00 0.76 C +ATOM 1322 N CYS A 167 29.869 14.832 22.961 1.00 1.51 N +ATOM 1323 CA CYS A 167 30.798 13.745 23.079 1.00 1.51 C +ATOM 1324 C CYS A 167 32.197 14.249 23.365 1.00 1.51 C +ATOM 1325 O CYS A 167 32.901 13.674 24.187 1.00 1.51 O +ATOM 1326 CB CYS A 167 30.758 12.958 21.773 1.00 1.51 C +ATOM 1327 SG CYS A 167 31.891 11.577 21.692 1.00 1.51 S +ATOM 1328 N ALA A 168 32.589 15.341 22.728 1.00 0.09 N +ATOM 1329 CA ALA A 168 33.949 15.838 22.878 1.00 0.09 C +ATOM 1330 C ALA A 168 34.193 16.692 24.106 1.00 0.09 C +ATOM 1331 O ALA A 168 35.280 16.618 24.685 1.00 0.09 O +ATOM 1332 CB ALA A 168 34.348 16.603 21.612 1.00 0.09 C +ATOM 1333 N ALA A 169 33.218 17.488 24.515 1.00 1.16 N +ATOM 1334 CA ALA A 169 33.419 18.382 25.646 1.00 1.16 C +ATOM 1335 C ALA A 169 33.424 17.693 27.039 1.00 1.16 C +ATOM 1336 O ALA A 169 34.183 18.121 27.931 1.00 1.16 O +ATOM 1337 CB ALA A 169 32.379 19.490 25.591 1.00 1.16 C +ATOM 1338 N PRO A 170 32.608 16.640 27.251 1.00 0.14 N +ATOM 1339 CA PRO A 170 32.605 15.991 28.569 1.00 0.14 C +ATOM 1340 C PRO A 170 33.964 15.691 29.159 1.00 0.14 C +ATOM 1341 O PRO A 170 34.200 15.999 30.303 1.00 0.14 O +ATOM 1342 CB PRO A 170 31.797 14.721 28.336 1.00 0.14 C +ATOM 1343 CG PRO A 170 30.870 15.102 27.234 1.00 0.14 C +ATOM 1344 CD PRO A 170 31.735 15.921 26.307 1.00 0.14 C +ATOM 1345 N PRO A 171 34.875 15.077 28.393 1.00 0.00 N +ATOM 1346 CA PRO A 171 36.227 14.744 28.884 1.00 0.00 C +ATOM 1347 C PRO A 171 37.085 15.909 29.411 1.00 0.00 C +ATOM 1348 O PRO A 171 38.118 15.684 30.074 1.00 0.00 O +ATOM 1349 CB PRO A 171 36.868 14.056 27.676 1.00 0.00 C +ATOM 1350 CG PRO A 171 35.684 13.389 26.997 1.00 0.00 C +ATOM 1351 CD PRO A 171 34.636 14.475 27.065 1.00 0.00 C +ATOM 1352 N LEU A 172 36.662 17.136 29.119 1.00 0.50 N +ATOM 1353 CA LEU A 172 37.382 18.342 29.549 1.00 0.50 C +ATOM 1354 C LEU A 172 36.850 18.819 30.889 1.00 0.50 C +ATOM 1355 O LEU A 172 37.453 19.715 31.512 1.00 0.50 O +ATOM 1356 CB LEU A 172 37.164 19.470 28.543 1.00 0.50 C +ATOM 1357 CG LEU A 172 37.552 19.222 27.102 1.00 0.50 C +ATOM 1358 CD1 LEU A 172 37.045 20.367 26.264 1.00 0.50 C +ATOM 1359 CD2 LEU A 172 39.041 19.077 26.993 1.00 0.50 C +ATOM 1360 N VAL A 173 35.746 18.219 31.337 1.00 0.55 N +ATOM 1361 CA VAL A 173 35.089 18.649 32.573 1.00 0.55 C +ATOM 1362 C VAL A 173 34.743 17.517 33.555 1.00 0.55 C +ATOM 1363 O VAL A 173 33.668 17.567 34.176 1.00 0.55 O +ATOM 1364 CB VAL A 173 33.807 19.434 32.211 1.00 0.55 C +ATOM 1365 CG1 VAL A 173 34.182 20.614 31.359 1.00 0.55 C +ATOM 1366 CG2 VAL A 173 32.823 18.536 31.452 1.00 0.55 C +ATOM 1367 N GLY A 174 35.602 16.508 33.693 1.00 0.00 N +ATOM 1368 CA GLY A 174 35.317 15.464 34.661 1.00 0.00 C +ATOM 1369 C GLY A 174 34.663 14.163 34.257 1.00 0.00 C +ATOM 1370 O GLY A 174 34.508 13.280 35.113 1.00 0.00 O +ATOM 1371 N TRP A 175 34.237 14.023 33.008 1.00 0.00 N +ATOM 1372 CA TRP A 175 33.659 12.754 32.604 1.00 0.00 C +ATOM 1373 C TRP A 175 34.600 12.145 31.618 1.00 0.00 C +ATOM 1374 O TRP A 175 34.651 12.595 30.477 1.00 0.00 O +ATOM 1375 CB TRP A 175 32.287 12.910 31.975 1.00 0.00 C +ATOM 1376 CG TRP A 175 31.582 11.586 31.932 1.00 0.00 C +ATOM 1377 CD1 TRP A 175 31.874 10.486 32.688 1.00 0.00 C +ATOM 1378 CD2 TRP A 175 30.448 11.232 31.132 1.00 0.00 C +ATOM 1379 NE1 TRP A 175 30.993 9.471 32.410 1.00 0.00 N +ATOM 1380 CE2 TRP A 175 30.107 9.902 31.460 1.00 0.00 C +ATOM 1381 CE3 TRP A 175 29.689 11.909 30.171 1.00 0.00 C +ATOM 1382 CZ2 TRP A 175 29.037 9.235 30.862 1.00 0.00 C +ATOM 1383 CZ3 TRP A 175 28.632 11.248 29.577 1.00 0.00 C +ATOM 1384 CH2 TRP A 175 28.313 9.922 29.925 1.00 0.00 C +ATOM 1385 N SER A 176 35.311 11.100 32.053 1.00 0.37 N +ATOM 1386 CA SER A 176 36.347 10.465 31.255 1.00 0.37 C +ATOM 1387 C SER A 176 37.414 11.519 31.147 1.00 0.37 C +ATOM 1388 O SER A 176 37.366 12.483 31.914 1.00 0.37 O +ATOM 1389 CB SER A 176 35.859 10.079 29.863 1.00 0.37 C +ATOM 1390 OG SER A 176 36.951 9.609 29.076 1.00 0.37 O +ATOM 1391 N ARG A 177 38.350 11.384 30.216 1.00 0.00 N +ATOM 1392 CA ARG A 177 39.414 12.381 30.079 1.00 0.00 C +ATOM 1393 C ARG A 177 40.251 12.049 28.864 1.00 0.00 C +ATOM 1394 O ARG A 177 40.140 10.938 28.349 1.00 0.00 O +ATOM 1395 CB ARG A 177 40.310 12.381 31.329 1.00 0.00 C +ATOM 1396 CG ARG A 177 40.951 11.026 31.600 1.00 0.00 C +ATOM 1397 CD ARG A 177 41.836 10.996 32.834 1.00 0.00 C +ATOM 1398 NE ARG A 177 42.356 9.645 33.055 1.00 0.00 N +ATOM 1399 CZ ARG A 177 43.162 9.286 34.057 1.00 0.00 C +ATOM 1400 NH1 ARG A 177 43.560 10.179 34.963 1.00 0.00 N +ATOM 1401 NH2 ARG A 177 43.580 8.022 34.154 1.00 0.00 N +ATOM 1402 N TYR A 178 41.059 13.002 28.393 1.00 0.38 N +ATOM 1403 CA TYR A 178 41.936 12.759 27.251 1.00 0.38 C +ATOM 1404 C TYR A 178 43.287 12.313 27.807 1.00 0.38 C +ATOM 1405 O TYR A 178 43.781 12.855 28.804 1.00 0.38 O +ATOM 1406 CB TYR A 178 42.065 14.015 26.366 1.00 0.38 C +ATOM 1407 CG TYR A 178 40.809 14.338 25.570 1.00 0.38 C +ATOM 1408 CD1 TYR A 178 40.375 13.501 24.541 1.00 0.38 C +ATOM 1409 CD2 TYR A 178 40.020 15.446 25.894 1.00 0.38 C +ATOM 1410 CE1 TYR A 178 39.187 13.751 23.859 1.00 0.38 C +ATOM 1411 CE2 TYR A 178 38.819 15.710 25.215 1.00 0.38 C +ATOM 1412 CZ TYR A 178 38.410 14.855 24.202 1.00 0.38 C +ATOM 1413 OH TYR A 178 37.214 15.094 23.557 1.00 0.38 O +ATOM 1414 N ILE A 179 43.876 11.322 27.155 1.00 0.18 N +ATOM 1415 CA ILE A 179 45.117 10.728 27.610 1.00 0.18 C +ATOM 1416 C ILE A 179 45.941 10.359 26.375 1.00 0.18 C +ATOM 1417 O ILE A 179 45.396 9.942 25.361 1.00 0.18 O +ATOM 1418 CB ILE A 179 44.756 9.481 28.483 1.00 0.18 C +ATOM 1419 CG1 ILE A 179 45.918 9.041 29.356 1.00 0.18 C +ATOM 1420 CG2 ILE A 179 44.303 8.329 27.600 1.00 0.18 C +ATOM 1421 CD1 ILE A 179 45.514 7.891 30.327 1.00 0.18 C +ATOM 1422 N PRO A 180 47.263 10.535 26.433 1.00 0.00 N +ATOM 1423 CA PRO A 180 48.078 10.194 25.260 1.00 0.00 C +ATOM 1424 C PRO A 180 48.011 8.711 24.827 1.00 0.00 C +ATOM 1425 O PRO A 180 47.844 7.862 25.669 1.00 0.00 O +ATOM 1426 CB PRO A 180 49.465 10.674 25.680 1.00 0.00 C +ATOM 1427 CG PRO A 180 49.392 10.686 27.212 1.00 0.00 C +ATOM 1428 CD PRO A 180 48.056 11.187 27.490 1.00 0.00 C +ATOM 1429 N GLU A 181 48.138 8.417 23.528 1.00 5.62 N +ATOM 1430 CA GLU A 181 48.053 7.029 23.009 1.00 5.62 C +ATOM 1431 C GLU A 181 49.204 6.657 22.044 1.00 5.62 C +ATOM 1432 O GLU A 181 49.820 7.538 21.435 1.00 5.62 O +ATOM 1433 CB GLU A 181 46.744 6.806 22.239 1.00 5.62 C +ATOM 1434 CG GLU A 181 45.458 7.265 22.882 1.00 5.62 C +ATOM 1435 CD GLU A 181 44.271 6.967 21.995 1.00 5.62 C +ATOM 1436 OE1 GLU A 181 43.873 5.794 21.903 1.00 5.62 O +ATOM 1437 OE2 GLU A 181 43.746 7.899 21.363 1.00 5.62 O +ATOM 1438 N GLY A 182 49.441 5.350 21.874 1.00 0.00 N +ATOM 1439 CA GLY A 182 50.482 4.889 20.977 1.00 0.00 C +ATOM 1440 C GLY A 182 51.850 5.364 21.407 1.00 0.00 C +ATOM 1441 O GLY A 182 52.271 5.087 22.520 1.00 0.00 O +ATOM 1442 N MET A 183 52.549 6.084 20.533 1.00 0.00 N +ATOM 1443 CA MET A 183 53.877 6.600 20.884 1.00 0.00 C +ATOM 1444 C MET A 183 53.762 7.802 21.808 1.00 0.00 C +ATOM 1445 O MET A 183 54.766 8.469 22.090 1.00 0.00 O +ATOM 1446 CB MET A 183 54.665 6.961 19.625 1.00 0.00 C +ATOM 1447 CG MET A 183 55.354 5.747 19.014 1.00 0.00 C +ATOM 1448 SD MET A 183 55.964 6.014 17.365 1.00 0.00 S +ATOM 1449 CE MET A 183 54.817 5.069 16.464 1.00 0.00 C +ATOM 1450 N GLN A 184 52.531 8.064 22.252 1.00 10.75 N +ATOM 1451 CA GLN A 184 52.197 9.141 23.179 1.00 10.75 C +ATOM 1452 C GLN A 184 52.287 10.527 22.557 1.00 10.75 C +ATOM 1453 O GLN A 184 52.568 11.477 23.273 1.00 10.75 O +ATOM 1454 CB GLN A 184 53.107 9.042 24.407 1.00 10.75 C +ATOM 1455 CG GLN A 184 53.196 7.626 25.021 1.00 10.75 C +ATOM 1456 CD GLN A 184 51.930 7.198 25.732 1.00 10.75 C +ATOM 1457 OE1 GLN A 184 51.589 7.724 26.789 1.00 10.75 O +ATOM 1458 NE2 GLN A 184 51.226 6.239 25.151 1.00 10.75 N +ATOM 1459 N CYS A 185 52.028 10.654 21.256 1.00 0.02 N +ATOM 1460 CA CYS A 185 52.097 11.948 20.595 1.00 0.02 C +ATOM 1461 C CYS A 185 50.740 12.400 20.162 1.00 0.02 C +ATOM 1462 O CYS A 185 50.600 13.481 19.574 1.00 0.02 O +ATOM 1463 CB CYS A 185 53.061 11.874 19.429 1.00 0.02 C +ATOM 1464 SG CYS A 185 54.756 11.764 20.042 1.00 0.02 S +ATOM 1465 N SER A 186 49.739 11.569 20.459 1.00 0.61 N +ATOM 1466 CA SER A 186 48.334 11.856 20.169 1.00 0.61 C +ATOM 1467 C SER A 186 47.545 11.636 21.453 1.00 0.61 C +ATOM 1468 O SER A 186 48.055 11.015 22.393 1.00 0.61 O +ATOM 1469 CB SER A 186 47.786 10.961 19.033 1.00 0.61 C +ATOM 1470 OG SER A 186 47.746 9.581 19.361 1.00 0.61 O +ATOM 1471 N CYS A 187 46.323 12.153 21.511 1.00 0.00 N +ATOM 1472 CA CYS A 187 45.500 11.992 22.704 1.00 0.00 C +ATOM 1473 C CYS A 187 44.072 11.598 22.366 1.00 0.00 C +ATOM 1474 O CYS A 187 43.460 12.189 21.477 1.00 0.00 O +ATOM 1475 CB CYS A 187 45.531 13.284 23.537 1.00 0.00 C +ATOM 1476 SG CYS A 187 46.922 13.230 24.703 1.00 0.00 S +ATOM 1477 N GLY A 188 43.555 10.598 23.075 1.00 0.88 N +ATOM 1478 CA GLY A 188 42.189 10.145 22.862 1.00 0.88 C +ATOM 1479 C GLY A 188 41.430 9.980 24.172 1.00 0.88 C +ATOM 1480 O GLY A 188 41.866 10.475 25.207 1.00 0.88 O +ATOM 1481 N ILE A 189 40.278 9.305 24.135 1.00 0.96 N +ATOM 1482 CA ILE A 189 39.457 9.085 25.338 1.00 0.96 C +ATOM 1483 C ILE A 189 40.150 8.038 26.214 1.00 0.96 C +ATOM 1484 O ILE A 189 41.098 7.422 25.742 1.00 0.96 O +ATOM 1485 CB ILE A 189 38.010 8.626 24.941 1.00 0.96 C +ATOM 1486 CG1 ILE A 189 37.301 9.745 24.155 1.00 0.96 C +ATOM 1487 CG2 ILE A 189 37.210 8.244 26.174 1.00 0.96 C +ATOM 1488 CD1 ILE A 189 37.221 11.092 24.870 1.00 0.96 C +ATOM 1489 N ASP A 190 39.713 7.813 27.454 1.00 0.00 N +ATOM 1490 CA ASP A 190 40.406 6.828 28.296 1.00 0.00 C +ATOM 1491 C ASP A 190 39.777 5.414 28.272 1.00 0.00 C +ATOM 1492 O ASP A 190 38.776 5.170 28.976 1.00 0.00 O +ATOM 1493 CB ASP A 190 40.478 7.325 29.736 1.00 0.00 C +ATOM 1494 CG ASP A 190 41.617 6.687 30.506 1.00 0.00 C +ATOM 1495 OD1 ASP A 190 42.024 5.567 30.122 1.00 0.00 O +ATOM 1496 OD2 ASP A 190 42.098 7.293 31.492 1.00 0.00 O +ATOM 1497 N TYR A 191 40.381 4.502 27.494 1.00 0.03 N +ATOM 1498 CA TYR A 191 39.927 3.104 27.357 1.00 0.03 C +ATOM 1499 C TYR A 191 40.880 2.226 28.105 1.00 0.03 C +ATOM 1500 O TYR A 191 40.668 1.017 28.187 1.00 0.03 O +ATOM 1501 CB TYR A 191 39.995 2.617 25.901 1.00 0.03 C +ATOM 1502 CG TYR A 191 39.814 3.675 24.829 1.00 0.03 C +ATOM 1503 CD1 TYR A 191 38.550 4.220 24.560 1.00 0.03 C +ATOM 1504 CD2 TYR A 191 40.907 4.144 24.094 1.00 0.03 C +ATOM 1505 CE1 TYR A 191 38.378 5.206 23.590 1.00 0.03 C +ATOM 1506 CE2 TYR A 191 40.746 5.132 23.123 1.00 0.03 C +ATOM 1507 CZ TYR A 191 39.478 5.664 22.875 1.00 0.03 C +ATOM 1508 OH TYR A 191 39.306 6.668 21.938 1.00 0.03 O +ATOM 1509 N TYR A 192 41.926 2.845 28.642 1.00 0.00 N +ATOM 1510 CA TYR A 192 43.004 2.137 29.321 1.00 0.00 C +ATOM 1511 C TYR A 192 42.786 1.853 30.794 1.00 0.00 C +ATOM 1512 O TYR A 192 43.030 0.723 31.202 1.00 0.00 O +ATOM 1513 CB TYR A 192 44.321 2.911 29.139 1.00 0.00 C +ATOM 1514 CG TYR A 192 44.643 3.205 27.686 1.00 0.00 C +ATOM 1515 CD1 TYR A 192 44.065 4.297 27.030 1.00 0.00 C +ATOM 1516 CD2 TYR A 192 45.464 2.348 26.940 1.00 0.00 C +ATOM 1517 CE1 TYR A 192 44.290 4.527 25.670 1.00 0.00 C +ATOM 1518 CE2 TYR A 192 45.695 2.569 25.579 1.00 0.00 C +ATOM 1519 CZ TYR A 192 45.102 3.658 24.954 1.00 0.00 C +ATOM 1520 OH TYR A 192 45.287 3.873 23.606 1.00 0.00 O +ATOM 1521 N THR A 193 42.357 2.840 31.585 1.00 0.00 N +ATOM 1522 CA THR A 193 42.177 2.654 33.028 1.00 0.00 C +ATOM 1523 C THR A 193 40.724 2.801 33.439 1.00 0.00 C +ATOM 1524 O THR A 193 39.944 3.474 32.757 1.00 0.00 O +ATOM 1525 CB THR A 193 43.035 3.683 33.807 1.00 0.00 C +ATOM 1526 OG1 THR A 193 42.482 5.000 33.656 1.00 0.00 O +ATOM 1527 CG2 THR A 193 44.460 3.696 33.256 1.00 0.00 C +ATOM 1528 N PRO A 194 40.324 2.158 34.546 1.00 0.19 N +ATOM 1529 CA PRO A 194 38.913 2.344 34.891 1.00 0.19 C +ATOM 1530 C PRO A 194 38.674 3.672 35.645 1.00 0.19 C +ATOM 1531 O PRO A 194 37.515 4.037 35.851 1.00 0.19 O +ATOM 1532 CB PRO A 194 38.588 1.098 35.732 1.00 0.19 C +ATOM 1533 CG PRO A 194 39.611 0.088 35.293 1.00 0.19 C +ATOM 1534 CD PRO A 194 40.857 0.947 35.188 1.00 0.19 C +ATOM 1535 N HIS A 195 39.757 4.372 36.021 1.00 0.00 N +ATOM 1536 CA HIS A 195 39.734 5.670 36.756 1.00 0.00 C +ATOM 1537 C HIS A 195 38.309 6.085 37.150 1.00 0.00 C +ATOM 1538 O HIS A 195 37.689 6.919 36.467 1.00 0.00 O +ATOM 1539 CB HIS A 195 40.390 6.798 35.912 1.00 0.00 C +ATOM 1540 CG HIS A 195 40.839 8.004 36.702 1.00 0.00 C +ATOM 1541 ND1 HIS A 195 40.555 9.297 36.311 1.00 0.00 N +ATOM 1542 CD2 HIS A 195 41.623 8.115 37.801 1.00 0.00 C +ATOM 1543 CE1 HIS A 195 41.146 10.149 37.131 1.00 0.00 C +ATOM 1544 NE2 HIS A 195 41.802 9.457 38.044 1.00 0.00 N +ATOM 1545 N GLU A 196 37.812 5.511 38.246 1.00 0.00 N +ATOM 1546 CA GLU A 196 36.479 5.793 38.761 1.00 0.00 C +ATOM 1547 C GLU A 196 36.321 7.271 39.080 1.00 0.00 C +ATOM 1548 O GLU A 196 35.254 7.826 38.854 1.00 0.00 O +ATOM 1549 CB GLU A 196 36.238 4.967 40.026 1.00 0.00 C +ATOM 1550 CG GLU A 196 36.216 3.464 39.810 1.00 0.00 C +ATOM 1551 CD GLU A 196 36.165 2.672 41.118 1.00 0.00 C +ATOM 1552 OE1 GLU A 196 35.492 3.119 42.088 1.00 0.00 O +ATOM 1553 OE2 GLU A 196 36.794 1.587 41.169 1.00 0.00 O +ATOM 1554 N GLU A 197 37.381 7.892 39.597 1.00 0.09 N +ATOM 1555 CA GLU A 197 37.417 9.309 39.999 1.00 0.09 C +ATOM 1556 C GLU A 197 36.842 10.245 38.938 1.00 0.09 C +ATOM 1557 O GLU A 197 36.362 11.314 39.261 1.00 0.09 O +ATOM 1558 CB GLU A 197 38.874 9.698 40.289 1.00 0.09 C +ATOM 1559 CG GLU A 197 39.094 11.064 40.943 1.00 0.09 C +ATOM 1560 CD GLU A 197 40.575 11.525 40.882 1.00 0.09 C +ATOM 1561 OE1 GLU A 197 41.498 10.688 41.086 1.00 0.09 O +ATOM 1562 OE2 GLU A 197 40.815 12.735 40.636 1.00 0.09 O +ATOM 1563 N THR A 198 36.884 9.833 37.682 1.00 0.67 N +ATOM 1564 CA THR A 198 36.420 10.661 36.590 1.00 0.67 C +ATOM 1565 C THR A 198 35.379 9.904 35.749 1.00 0.67 C +ATOM 1566 O THR A 198 34.978 10.381 34.698 1.00 0.67 O +ATOM 1567 CB THR A 198 37.661 11.113 35.759 1.00 0.67 C +ATOM 1568 OG1 THR A 198 37.384 12.351 35.102 1.00 0.67 O +ATOM 1569 CG2 THR A 198 38.051 10.060 34.745 1.00 0.67 C +ATOM 1570 N ASN A 199 34.960 8.730 36.228 1.00 0.05 N +ATOM 1571 CA ASN A 199 33.922 7.881 35.607 1.00 0.05 C +ATOM 1572 C ASN A 199 34.178 7.517 34.175 1.00 0.05 C +ATOM 1573 O ASN A 199 33.310 7.763 33.342 1.00 0.05 O +ATOM 1574 CB ASN A 199 32.576 8.576 35.684 1.00 0.05 C +ATOM 1575 CG ASN A 199 32.150 8.825 37.098 1.00 0.05 C +ATOM 1576 OD1 ASN A 199 32.522 9.827 37.728 1.00 0.05 O +ATOM 1577 ND2 ASN A 199 31.382 7.898 37.628 1.00 0.05 N +ATOM 1578 N ASN A 200 35.312 6.872 33.904 1.00 0.17 N +ATOM 1579 CA ASN A 200 35.735 6.499 32.548 1.00 0.17 C +ATOM 1580 C ASN A 200 34.948 5.383 31.908 1.00 0.17 C +ATOM 1581 O ASN A 200 34.502 5.540 30.786 1.00 0.17 O +ATOM 1582 CB ASN A 200 37.214 6.098 32.545 1.00 0.17 C +ATOM 1583 CG ASN A 200 38.139 7.276 32.710 1.00 0.17 C +ATOM 1584 OD1 ASN A 200 37.707 8.406 32.911 1.00 0.17 O +ATOM 1585 ND2 ASN A 200 39.432 7.011 32.628 1.00 0.17 N +ATOM 1586 N GLU A 201 34.793 4.254 32.579 1.00 0.00 N +ATOM 1587 CA GLU A 201 34.104 3.142 31.940 1.00 0.00 C +ATOM 1588 C GLU A 201 32.696 3.514 31.392 1.00 0.00 C +ATOM 1589 O GLU A 201 32.325 3.064 30.296 1.00 0.00 O +ATOM 1590 CB GLU A 201 34.053 1.953 32.902 1.00 0.00 C +ATOM 1591 CG GLU A 201 35.426 1.505 33.407 1.00 0.00 C +ATOM 1592 CD GLU A 201 35.955 0.240 32.737 1.00 0.00 C +ATOM 1593 OE1 GLU A 201 35.150 -0.665 32.426 1.00 0.00 O +ATOM 1594 OE2 GLU A 201 37.189 0.141 32.553 1.00 0.00 O +ATOM 1595 N SER A 202 31.932 4.336 32.107 1.00 0.02 N +ATOM 1596 CA SER A 202 30.587 4.706 31.651 1.00 0.02 C +ATOM 1597 C SER A 202 30.618 5.603 30.425 1.00 0.02 C +ATOM 1598 O SER A 202 29.815 5.408 29.523 1.00 0.02 O +ATOM 1599 CB SER A 202 29.827 5.401 32.772 1.00 0.02 C +ATOM 1600 OG SER A 202 30.610 6.442 33.320 1.00 0.02 O +ATOM 1601 N PHE A 203 31.516 6.581 30.390 1.00 1.00 N +ATOM 1602 CA PHE A 203 31.605 7.472 29.244 1.00 1.00 C +ATOM 1603 C PHE A 203 31.922 6.688 27.984 1.00 1.00 C +ATOM 1604 O PHE A 203 31.333 6.952 26.947 1.00 1.00 O +ATOM 1605 CB PHE A 203 32.691 8.525 29.459 1.00 1.00 C +ATOM 1606 CG PHE A 203 32.809 9.496 28.322 1.00 1.00 C +ATOM 1607 CD1 PHE A 203 32.065 10.670 28.314 1.00 1.00 C +ATOM 1608 CD2 PHE A 203 33.616 9.207 27.230 1.00 1.00 C +ATOM 1609 CE1 PHE A 203 32.117 11.545 27.234 1.00 1.00 C +ATOM 1610 CE2 PHE A 203 33.676 10.073 26.148 1.00 1.00 C +ATOM 1611 CZ PHE A 203 32.924 11.246 26.149 1.00 1.00 C +ATOM 1612 N VAL A 204 32.848 5.732 28.071 1.00 0.00 N +ATOM 1613 CA VAL A 204 33.254 4.917 26.914 1.00 0.00 C +ATOM 1614 C VAL A 204 32.061 4.168 26.311 1.00 0.00 C +ATOM 1615 O VAL A 204 31.962 4.031 25.093 1.00 0.00 O +ATOM 1616 CB VAL A 204 34.389 3.900 27.301 1.00 0.00 C +ATOM 1617 CG1 VAL A 204 34.646 2.931 26.162 1.00 0.00 C +ATOM 1618 CG2 VAL A 204 35.685 4.648 27.632 1.00 0.00 C +ATOM 1619 N ILE A 205 31.156 3.683 27.146 1.00 2.51 N +ATOM 1620 CA ILE A 205 29.992 2.978 26.634 1.00 2.51 C +ATOM 1621 C ILE A 205 29.020 4.003 26.098 1.00 2.51 C +ATOM 1622 O ILE A 205 28.325 3.739 25.116 1.00 2.51 O +ATOM 1623 CB ILE A 205 29.350 2.132 27.751 1.00 2.51 C +ATOM 1624 CG1 ILE A 205 30.329 1.029 28.156 1.00 2.51 C +ATOM 1625 CG2 ILE A 205 28.041 1.533 27.279 1.00 2.51 C +ATOM 1626 CD1 ILE A 205 30.070 0.434 29.498 1.00 2.51 C +ATOM 1627 N TYR A 206 29.002 5.178 26.728 1.00 0.05 N +ATOM 1628 CA TYR A 206 28.121 6.259 26.308 1.00 0.05 C +ATOM 1629 C TYR A 206 28.539 6.743 24.926 1.00 0.05 C +ATOM 1630 O TYR A 206 27.691 7.131 24.123 1.00 0.05 O +ATOM 1631 CB TYR A 206 28.197 7.423 27.305 1.00 0.05 C +ATOM 1632 CG TYR A 206 27.952 8.798 26.694 1.00 0.05 C +ATOM 1633 CD1 TYR A 206 26.670 9.201 26.287 1.00 0.05 C +ATOM 1634 CD2 TYR A 206 29.009 9.702 26.529 1.00 0.05 C +ATOM 1635 CE1 TYR A 206 26.455 10.465 25.742 1.00 0.05 C +ATOM 1636 CE2 TYR A 206 28.806 10.963 25.985 1.00 0.05 C +ATOM 1637 CZ TYR A 206 27.531 11.333 25.598 1.00 0.05 C +ATOM 1638 OH TYR A 206 27.342 12.582 25.071 1.00 0.05 O +ATOM 1639 N MET A 207 29.834 6.706 24.642 1.00 7.89 N +ATOM 1640 CA MET A 207 30.335 7.171 23.358 1.00 7.89 C +ATOM 1641 C MET A 207 30.164 6.136 22.239 1.00 7.89 C +ATOM 1642 O MET A 207 29.827 6.500 21.107 1.00 7.89 O +ATOM 1643 CB MET A 207 31.802 7.544 23.502 1.00 7.89 C +ATOM 1644 CG MET A 207 32.461 7.907 22.190 1.00 7.89 C +ATOM 1645 SD MET A 207 34.246 8.086 22.339 1.00 7.89 S +ATOM 1646 CE MET A 207 34.757 6.330 22.437 1.00 7.89 C +ATOM 1647 N PHE A 208 30.401 4.866 22.540 1.00 28.52 N +ATOM 1648 CA PHE A 208 30.286 3.817 21.540 1.00 28.52 C +ATOM 1649 C PHE A 208 28.861 3.534 21.193 1.00 28.52 C +ATOM 1650 O PHE A 208 28.625 2.954 20.158 1.00 28.52 O +ATOM 1651 CB PHE A 208 30.932 2.539 22.038 1.00 28.52 C +ATOM 1652 CG PHE A 208 32.398 2.446 21.752 1.00 28.52 C +ATOM 1653 CD1 PHE A 208 32.857 2.349 20.446 1.00 28.52 C +ATOM 1654 CD2 PHE A 208 33.329 2.430 22.789 1.00 28.52 C +ATOM 1655 CE1 PHE A 208 34.221 2.237 20.174 1.00 28.52 C +ATOM 1656 CE2 PHE A 208 34.696 2.317 22.526 1.00 28.52 C +ATOM 1657 CZ PHE A 208 35.141 2.221 21.218 1.00 28.52 C +ATOM 1658 N VAL A 209 27.908 3.920 22.039 1.00 0.16 N +ATOM 1659 CA VAL A 209 26.496 3.653 21.733 1.00 0.16 C +ATOM 1660 C VAL A 209 25.829 4.883 21.156 1.00 0.16 C +ATOM 1661 O VAL A 209 25.279 4.812 20.052 1.00 0.16 O +ATOM 1662 CB VAL A 209 25.684 3.184 22.990 1.00 0.16 C +ATOM 1663 CG1 VAL A 209 24.236 2.891 22.584 1.00 0.16 C +ATOM 1664 CG2 VAL A 209 26.323 1.917 23.615 1.00 0.16 C +ATOM 1665 N VAL A 210 25.881 5.997 21.880 1.00 0.22 N +ATOM 1666 CA VAL A 210 25.269 7.244 21.430 1.00 0.22 C +ATOM 1667 C VAL A 210 26.011 7.849 20.265 1.00 0.22 C +ATOM 1668 O VAL A 210 25.382 8.391 19.354 1.00 0.22 O +ATOM 1669 CB VAL A 210 25.247 8.311 22.546 1.00 0.22 C +ATOM 1670 CG1 VAL A 210 24.818 9.674 21.980 1.00 0.22 C +ATOM 1671 CG2 VAL A 210 24.322 7.864 23.662 1.00 0.22 C +ATOM 1672 N HIS A 211 27.333 7.767 20.277 1.00 9.74 N +ATOM 1673 CA HIS A 211 28.098 8.383 19.214 1.00 9.74 C +ATOM 1674 C HIS A 211 28.841 7.391 18.373 1.00 9.74 C +ATOM 1675 O HIS A 211 30.042 7.532 18.186 1.00 9.74 O +ATOM 1676 CB HIS A 211 29.045 9.388 19.831 1.00 9.74 C +ATOM 1677 CG HIS A 211 28.353 10.363 20.719 1.00 9.74 C +ATOM 1678 ND1 HIS A 211 27.520 11.341 20.231 1.00 9.74 N +ATOM 1679 CD2 HIS A 211 28.311 10.467 22.067 1.00 9.74 C +ATOM 1680 CE1 HIS A 211 26.990 12.009 21.239 1.00 9.74 C +ATOM 1681 NE2 HIS A 211 27.454 11.497 22.366 1.00 9.74 N +ATOM 1682 N PHE A 212 28.134 6.391 17.856 1.00 0.09 N +ATOM 1683 CA PHE A 212 28.755 5.393 16.992 1.00 0.09 C +ATOM 1684 C PHE A 212 27.747 4.343 16.527 1.00 0.09 C +ATOM 1685 O PHE A 212 27.249 4.425 15.416 1.00 0.09 O +ATOM 1686 CB PHE A 212 29.939 4.721 17.700 1.00 0.09 C +ATOM 1687 CG PHE A 212 30.666 3.724 16.843 1.00 0.09 C +ATOM 1688 CD1 PHE A 212 31.090 4.064 15.572 1.00 0.09 C +ATOM 1689 CD2 PHE A 212 30.948 2.454 17.316 1.00 0.09 C +ATOM 1690 CE1 PHE A 212 31.791 3.149 14.786 1.00 0.09 C +ATOM 1691 CE2 PHE A 212 31.646 1.533 16.537 1.00 0.09 C +ATOM 1692 CZ PHE A 212 32.069 1.881 15.273 1.00 0.09 C +ATOM 1693 N ILE A 213 27.498 3.337 17.355 1.00 2.09 N +ATOM 1694 CA ILE A 213 26.576 2.285 16.971 1.00 2.09 C +ATOM 1695 C ILE A 213 25.302 2.886 16.458 1.00 2.09 C +ATOM 1696 O ILE A 213 24.852 2.532 15.378 1.00 2.09 O +ATOM 1697 CB ILE A 213 26.225 1.369 18.149 1.00 2.09 C +ATOM 1698 CG1 ILE A 213 27.460 0.619 18.620 1.00 2.09 C +ATOM 1699 CG2 ILE A 213 25.183 0.368 17.716 1.00 2.09 C +ATOM 1700 CD1 ILE A 213 27.193 -0.213 19.838 1.00 2.09 C +ATOM 1701 N ILE A 214 24.742 3.811 17.219 1.00 0.93 N +ATOM 1702 CA ILE A 214 23.486 4.432 16.852 1.00 0.93 C +ATOM 1703 C ILE A 214 23.522 5.226 15.559 1.00 0.93 C +ATOM 1704 O ILE A 214 22.766 4.904 14.644 1.00 0.93 O +ATOM 1705 CB ILE A 214 22.982 5.295 18.004 1.00 0.93 C +ATOM 1706 CG1 ILE A 214 22.393 4.372 19.069 1.00 0.93 C +ATOM 1707 CG2 ILE A 214 21.979 6.324 17.506 1.00 0.93 C +ATOM 1708 CD1 ILE A 214 21.787 5.096 20.218 1.00 0.93 C +ATOM 1709 N PRO A 215 24.361 6.269 15.454 1.00 0.00 N +ATOM 1710 CA PRO A 215 24.366 7.013 14.188 1.00 0.00 C +ATOM 1711 C PRO A 215 24.608 6.115 12.980 1.00 0.00 C +ATOM 1712 O PRO A 215 24.114 6.410 11.897 1.00 0.00 O +ATOM 1713 CB PRO A 215 25.479 8.031 14.391 1.00 0.00 C +ATOM 1714 CG PRO A 215 25.452 8.260 15.857 1.00 0.00 C +ATOM 1715 CD PRO A 215 25.292 6.873 16.418 1.00 0.00 C +ATOM 1716 N LEU A 216 25.365 5.034 13.171 1.00 0.00 N +ATOM 1717 CA LEU A 216 25.657 4.072 12.102 1.00 0.00 C +ATOM 1718 C LEU A 216 24.375 3.383 11.650 1.00 0.00 C +ATOM 1719 O LEU A 216 24.111 3.259 10.452 1.00 0.00 O +ATOM 1720 CB LEU A 216 26.641 2.992 12.584 1.00 0.00 C +ATOM 1721 CG LEU A 216 28.120 3.210 12.310 1.00 0.00 C +ATOM 1722 CD1 LEU A 216 28.291 3.808 10.949 1.00 0.00 C +ATOM 1723 CD2 LEU A 216 28.680 4.136 13.305 1.00 0.00 C +ATOM 1724 N ILE A 217 23.588 2.919 12.612 1.00 0.65 N +ATOM 1725 CA ILE A 217 22.334 2.239 12.332 1.00 0.65 C +ATOM 1726 C ILE A 217 21.417 3.107 11.472 1.00 0.65 C +ATOM 1727 O ILE A 217 20.907 2.632 10.453 1.00 0.65 O +ATOM 1728 CB ILE A 217 21.643 1.910 13.636 1.00 0.65 C +ATOM 1729 CG1 ILE A 217 22.513 0.945 14.431 1.00 0.65 C +ATOM 1730 CG2 ILE A 217 20.279 1.337 13.357 1.00 0.65 C +ATOM 1731 CD1 ILE A 217 22.163 0.908 15.880 1.00 0.65 C +ATOM 1732 N VAL A 218 21.202 4.352 11.902 1.00 0.03 N +ATOM 1733 CA VAL A 218 20.373 5.329 11.190 1.00 0.03 C +ATOM 1734 C VAL A 218 20.819 5.400 9.760 1.00 0.03 C +ATOM 1735 O VAL A 218 20.052 5.147 8.832 1.00 0.03 O +ATOM 1736 CB VAL A 218 20.552 6.742 11.776 1.00 0.03 C +ATOM 1737 CG1 VAL A 218 19.976 7.781 10.828 1.00 0.03 C +ATOM 1738 CG2 VAL A 218 19.912 6.820 13.136 1.00 0.03 C +ATOM 1739 N ILE A 219 22.081 5.761 9.601 1.00 0.55 N +ATOM 1740 CA ILE A 219 22.713 5.911 8.306 1.00 0.55 C +ATOM 1741 C ILE A 219 22.573 4.662 7.457 1.00 0.55 C +ATOM 1742 O ILE A 219 22.239 4.764 6.281 1.00 0.55 O +ATOM 1743 CB ILE A 219 24.188 6.249 8.495 1.00 0.55 C +ATOM 1744 CG1 ILE A 219 24.304 7.614 9.173 1.00 0.55 C +ATOM 1745 CG2 ILE A 219 24.888 6.237 7.174 1.00 0.55 C +ATOM 1746 CD1 ILE A 219 25.712 8.055 9.465 1.00 0.55 C +ATOM 1747 N PHE A 220 22.827 3.494 8.033 1.00 0.15 N +ATOM 1748 CA PHE A 220 22.726 2.251 7.288 1.00 0.15 C +ATOM 1749 C PHE A 220 21.321 1.915 6.957 1.00 0.15 C +ATOM 1750 O PHE A 220 21.013 1.600 5.807 1.00 0.15 O +ATOM 1751 CB PHE A 220 23.336 1.126 8.082 1.00 0.15 C +ATOM 1752 CG PHE A 220 24.786 1.071 7.942 1.00 0.15 C +ATOM 1753 CD1 PHE A 220 25.340 0.905 6.686 1.00 0.15 C +ATOM 1754 CD2 PHE A 220 25.609 1.262 9.029 1.00 0.15 C +ATOM 1755 CE1 PHE A 220 26.692 0.938 6.509 1.00 0.15 C +ATOM 1756 CE2 PHE A 220 26.970 1.299 8.867 1.00 0.15 C +ATOM 1757 CZ PHE A 220 27.516 1.136 7.603 1.00 0.15 C +ATOM 1758 N PHE A 221 20.459 1.945 7.958 1.00 0.05 N +ATOM 1759 CA PHE A 221 19.082 1.649 7.692 1.00 0.05 C +ATOM 1760 C PHE A 221 18.609 2.559 6.591 1.00 0.05 C +ATOM 1761 O PHE A 221 18.157 2.082 5.559 1.00 0.05 O +ATOM 1762 CB PHE A 221 18.241 1.866 8.926 1.00 0.05 C +ATOM 1763 CG PHE A 221 16.798 1.634 8.679 1.00 0.05 C +ATOM 1764 CD1 PHE A 221 15.909 2.706 8.614 1.00 0.05 C +ATOM 1765 CD2 PHE A 221 16.328 0.341 8.431 1.00 0.05 C +ATOM 1766 CE1 PHE A 221 14.565 2.499 8.301 1.00 0.05 C +ATOM 1767 CE2 PHE A 221 14.990 0.118 8.118 1.00 0.05 C +ATOM 1768 CZ PHE A 221 14.104 1.203 8.052 1.00 0.05 C +ATOM 1769 N CYS A 222 18.733 3.864 6.797 1.00 0.00 N +ATOM 1770 CA CYS A 222 18.316 4.839 5.802 1.00 0.00 C +ATOM 1771 C CYS A 222 18.779 4.437 4.409 1.00 0.00 C +ATOM 1772 O CYS A 222 18.085 4.699 3.442 1.00 0.00 O +ATOM 1773 CB CYS A 222 18.876 6.211 6.145 1.00 0.00 C +ATOM 1774 SG CYS A 222 18.607 7.402 4.833 1.00 0.00 S +ATOM 1775 N TYR A 223 19.944 3.811 4.304 1.00 0.00 N +ATOM 1776 CA TYR A 223 20.467 3.393 3.010 1.00 0.00 C +ATOM 1777 C TYR A 223 19.632 2.278 2.478 1.00 0.00 C +ATOM 1778 O TYR A 223 19.282 2.269 1.304 1.00 0.00 O +ATOM 1779 CB TYR A 223 21.897 2.913 3.162 1.00 0.00 C +ATOM 1780 CG TYR A 223 22.459 2.230 1.938 1.00 0.00 C +ATOM 1781 CD1 TYR A 223 22.733 2.943 0.778 1.00 0.00 C +ATOM 1782 CD2 TYR A 223 22.779 0.875 1.962 1.00 0.00 C +ATOM 1783 CE1 TYR A 223 23.330 2.319 -0.332 1.00 0.00 C +ATOM 1784 CE2 TYR A 223 23.375 0.244 0.860 1.00 0.00 C +ATOM 1785 CZ TYR A 223 23.652 0.970 -0.281 1.00 0.00 C +ATOM 1786 OH TYR A 223 24.284 0.358 -1.345 1.00 0.00 O +ATOM 1787 N GLY A 224 19.328 1.322 3.344 1.00 0.79 N +ATOM 1788 CA GLY A 224 18.512 0.200 2.939 1.00 0.79 C +ATOM 1789 C GLY A 224 17.194 0.687 2.378 1.00 0.79 C +ATOM 1790 O GLY A 224 16.397 -0.112 1.913 1.00 0.79 O +ATOM 1791 N GLN A 225 16.965 2.000 2.441 1.00 0.00 N +ATOM 1792 CA GLN A 225 15.742 2.622 1.918 1.00 0.00 C +ATOM 1793 C GLN A 225 16.018 3.072 0.515 1.00 0.00 C +ATOM 1794 O GLN A 225 15.278 2.743 -0.412 1.00 0.00 O +ATOM 1795 CB GLN A 225 15.341 3.838 2.764 1.00 0.00 C +ATOM 1796 CG GLN A 225 15.199 3.504 4.219 1.00 0.00 C +ATOM 1797 CD GLN A 225 14.365 2.257 4.417 1.00 0.00 C +ATOM 1798 OE1 GLN A 225 13.145 2.325 4.513 1.00 0.00 O +ATOM 1799 NE2 GLN A 225 15.026 1.099 4.453 1.00 0.00 N +ATOM 1800 N LEU A 226 17.090 3.838 0.370 1.00 0.00 N +ATOM 1801 CA LEU A 226 17.502 4.320 -0.927 1.00 0.00 C +ATOM 1802 C LEU A 226 18.210 3.184 -1.638 1.00 0.00 C +ATOM 1803 O LEU A 226 19.252 3.358 -2.269 1.00 0.00 O +ATOM 1804 CB LEU A 226 18.406 5.547 -0.770 1.00 0.00 C +ATOM 1805 CG LEU A 226 17.656 6.856 -0.476 1.00 0.00 C +ATOM 1806 CD1 LEU A 226 16.820 6.726 0.789 1.00 0.00 C +ATOM 1807 CD2 LEU A 226 18.656 7.990 -0.354 1.00 0.00 C +ATOM 1808 N VAL A 227 17.633 1.999 -1.491 1.00 0.06 N +ATOM 1809 CA VAL A 227 18.137 0.800 -2.138 1.00 0.06 C +ATOM 1810 C VAL A 227 17.169 0.493 -3.276 1.00 0.06 C +ATOM 1811 O VAL A 227 17.599 0.392 -4.434 1.00 0.06 O +ATOM 1812 CB VAL A 227 18.217 -0.412 -1.138 1.00 0.06 C +ATOM 1813 CG1 VAL A 227 16.816 -0.865 -0.708 1.00 0.06 C +ATOM 1814 CG2 VAL A 227 18.975 -1.568 -1.781 1.00 0.06 C +ATOM 1815 N PHE A 228 15.874 0.384 -2.947 1.00 5.57 N +ATOM 1816 CA PHE A 228 14.825 0.113 -3.937 1.00 5.57 C +ATOM 1817 C PHE A 228 14.583 1.378 -4.744 1.00 5.57 C +ATOM 1818 O PHE A 228 14.289 1.309 -5.943 1.00 5.57 O +ATOM 1819 CB PHE A 228 13.515 -0.332 -3.257 1.00 5.57 C +ATOM 1820 CG PHE A 228 12.424 -0.726 -4.236 1.00 5.57 C +ATOM 1821 CD1 PHE A 228 12.637 -1.745 -5.169 1.00 5.57 C +ATOM 1822 CD2 PHE A 228 11.188 -0.078 -4.227 1.00 5.57 C +ATOM 1823 CE1 PHE A 228 11.636 -2.114 -6.080 1.00 5.57 C +ATOM 1824 CE2 PHE A 228 10.181 -0.438 -5.133 1.00 5.57 C +ATOM 1825 CZ PHE A 228 10.407 -1.459 -6.060 1.00 5.57 C +ATOM 1826 N THR A 229 14.704 2.528 -4.088 1.00 0.00 N +ATOM 1827 CA THR A 229 14.520 3.802 -4.769 1.00 0.00 C +ATOM 1828 C THR A 229 15.838 4.142 -5.498 1.00 0.00 C +ATOM 1829 O THR A 229 16.423 3.238 -6.118 1.00 0.00 O +ATOM 1830 CB THR A 229 14.116 4.927 -3.757 1.00 0.00 C +ATOM 1831 OG1 THR A 229 13.153 4.416 -2.819 1.00 0.00 O +ATOM 1832 CG2 THR A 229 13.482 6.103 -4.500 1.00 0.00 C +ATOM 1833 N VAL A 230 16.305 5.395 -5.422 1.00 0.00 N +ATOM 1834 CA VAL A 230 17.543 5.824 -6.102 1.00 0.00 C +ATOM 1835 C VAL A 230 18.678 4.810 -5.868 1.00 0.00 C +ATOM 1836 O VAL A 230 18.959 4.437 -4.723 1.00 0.00 O +ATOM 1837 CB VAL A 230 17.976 7.273 -5.636 1.00 0.00 C +ATOM 1838 CG1 VAL A 230 18.647 7.223 -4.275 1.00 0.00 C +ATOM 1839 CG2 VAL A 230 18.891 7.919 -6.667 1.00 0.00 C +ATOM 1840 N LYS A 231 19.304 4.354 -6.954 1.00 0.05 N +ATOM 1841 CA LYS A 231 20.392 3.378 -6.865 1.00 0.05 C +ATOM 1842 C LYS A 231 21.684 3.954 -7.409 1.00 0.05 C +ATOM 1843 O LYS A 231 21.674 4.990 -8.075 1.00 0.05 O +ATOM 1844 CB LYS A 231 20.054 2.103 -7.644 1.00 0.05 C +ATOM 1845 CG LYS A 231 18.844 1.346 -7.136 1.00 0.05 C +ATOM 1846 CD LYS A 231 18.660 0.029 -7.886 1.00 0.05 C +ATOM 1847 CE LYS A 231 18.519 0.227 -9.399 1.00 0.05 C +ATOM 1848 NZ LYS A 231 19.793 0.623 -10.064 1.00 0.05 N +ATOM 1849 N GLU A 232 22.788 3.264 -7.122 1.00 0.21 N +ATOM 1850 CA GLU A 232 24.122 3.667 -7.567 1.00 0.21 C +ATOM 1851 C GLU A 232 24.144 3.698 -9.076 1.00 0.21 C +ATOM 1852 O GLU A 232 24.943 4.438 -9.672 1.00 0.21 O +ATOM 1853 CB GLU A 232 25.165 2.675 -7.051 1.00 0.21 C +ATOM 1854 CG GLU A 232 25.017 2.370 -5.578 1.00 0.21 C +ATOM 1855 CD GLU A 232 26.004 1.335 -5.103 1.00 0.21 C +ATOM 1856 OE1 GLU A 232 26.041 0.228 -5.688 1.00 0.21 O +ATOM 1857 OE2 GLU A 232 26.738 1.632 -4.141 1.00 0.21 O +ATOM 1858 N ALA A 233 23.281 2.886 -9.688 1.00 0.18 N +ATOM 1859 CA ALA A 233 23.167 2.836 -11.140 1.00 0.18 C +ATOM 1860 C ALA A 233 22.716 4.213 -11.601 1.00 0.18 C +ATOM 1861 O ALA A 233 21.512 4.505 -11.600 1.00 0.18 O +ATOM 1862 CB ALA A 233 22.146 1.762 -11.559 1.00 0.18 C +ATOM 1863 N ALA A 234 23.683 5.057 -11.964 1.00 0.00 N +ATOM 1864 CA ALA A 234 23.414 6.424 -12.417 1.00 0.00 C +ATOM 1865 C ALA A 234 23.704 6.536 -13.907 1.00 0.00 C +ATOM 1866 O ALA A 234 24.844 6.275 -14.324 1.00 0.00 O +ATOM 1867 CB ALA A 234 24.283 7.416 -11.629 1.00 0.00 C +ATOM 1868 N ALA A 235 22.690 6.925 -14.691 1.00 0.41 N +ATOM 1869 CA ALA A 235 22.820 7.067 -16.150 1.00 0.41 C +ATOM 1870 C ALA A 235 23.172 8.503 -16.548 1.00 0.41 C +ATOM 1871 O ALA A 235 23.796 9.232 -15.763 1.00 0.41 O +ATOM 1872 CB ALA A 235 21.518 6.613 -16.865 1.00 0.41 C +ATOM 1873 N GLN A 236 22.746 8.899 -17.748 1.00 0.88 N +ATOM 1874 CA GLN A 236 23.044 10.219 -18.330 1.00 0.88 C +ATOM 1875 C GLN A 236 21.950 11.300 -18.100 1.00 0.88 C +ATOM 1876 O GLN A 236 21.074 11.139 -17.240 1.00 0.88 O +ATOM 1877 CB GLN A 236 23.315 10.018 -19.833 1.00 0.88 C +ATOM 1878 CG GLN A 236 22.308 9.070 -20.511 1.00 0.88 C +ATOM 1879 CD GLN A 236 22.922 8.229 -21.625 1.00 0.88 C +ATOM 1880 OE1 GLN A 236 23.418 8.760 -22.619 1.00 0.88 O +ATOM 1881 NE2 GLN A 236 22.885 6.908 -21.458 1.00 0.88 N +ATOM 1882 N GLN A 237 22.033 12.392 -18.872 1.00 0.00 N +ATOM 1883 CA GLN A 237 21.107 13.538 -18.799 1.00 0.00 C +ATOM 1884 C GLN A 237 19.673 13.062 -18.704 1.00 0.00 C +ATOM 1885 O GLN A 237 19.188 12.335 -19.586 1.00 0.00 O +ATOM 1886 CB GLN A 237 21.268 14.453 -20.030 1.00 0.00 C +ATOM 1887 CG GLN A 237 22.711 14.624 -20.507 1.00 0.00 C +ATOM 1888 CD GLN A 237 23.219 13.405 -21.278 1.00 0.00 C +ATOM 1889 OE1 GLN A 237 24.423 13.152 -21.341 1.00 0.00 O +ATOM 1890 NE2 GLN A 237 22.294 12.652 -21.878 1.00 0.00 N +ATOM 1891 N GLN A 238 18.996 13.499 -17.647 1.00 4.31 N +ATOM 1892 CA GLN A 238 17.625 13.095 -17.384 1.00 4.31 C +ATOM 1893 C GLN A 238 17.631 11.635 -17.008 1.00 4.31 C +ATOM 1894 O GLN A 238 18.169 10.798 -17.749 1.00 4.31 O +ATOM 1895 CB GLN A 238 16.723 13.272 -18.610 1.00 4.31 C +ATOM 1896 CG GLN A 238 15.318 12.696 -18.393 1.00 4.31 C +ATOM 1897 CD GLN A 238 14.597 12.340 -19.683 1.00 4.31 C +ATOM 1898 OE1 GLN A 238 14.406 13.185 -20.553 1.00 4.31 O +ATOM 1899 NE2 GLN A 238 14.186 11.077 -19.804 1.00 4.31 N +ATOM 1900 N GLU A 239 17.045 11.328 -15.859 1.00 0.01 N +ATOM 1901 CA GLU A 239 16.951 9.956 -15.383 1.00 0.01 C +ATOM 1902 C GLU A 239 15.468 9.658 -15.287 1.00 0.01 C +ATOM 1903 O GLU A 239 15.045 8.506 -15.148 1.00 0.01 O +ATOM 1904 CB GLU A 239 17.608 9.856 -14.014 1.00 0.01 C +ATOM 1905 CG GLU A 239 18.041 8.467 -13.621 1.00 0.01 C +ATOM 1906 CD GLU A 239 19.420 8.142 -14.141 1.00 0.01 C +ATOM 1907 OE1 GLU A 239 19.642 8.305 -15.362 1.00 0.01 O +ATOM 1908 OE2 GLU A 239 20.278 7.729 -13.329 1.00 0.01 O +ATOM 1909 N SER A 240 14.710 10.750 -15.388 1.00 0.07 N +ATOM 1910 CA SER A 240 13.243 10.859 -15.343 1.00 0.07 C +ATOM 1911 C SER A 240 13.026 12.351 -15.193 1.00 0.07 C +ATOM 1912 O SER A 240 11.962 12.834 -14.810 1.00 0.07 O +ATOM 1913 CB SER A 240 12.644 10.112 -14.133 1.00 0.07 C +ATOM 1914 OG SER A 240 12.506 8.710 -14.367 1.00 0.07 O +ATOM 1915 N ALA A 241 14.107 13.051 -15.512 1.00 0.07 N +ATOM 1916 CA ALA A 241 14.248 14.490 -15.447 1.00 0.07 C +ATOM 1917 C ALA A 241 15.715 14.702 -15.127 1.00 0.07 C +ATOM 1918 O ALA A 241 16.228 14.011 -14.246 1.00 0.07 O +ATOM 1919 CB ALA A 241 13.368 15.069 -14.327 1.00 0.07 C +ATOM 1920 N THR A 242 16.409 15.587 -15.839 1.00 0.24 N +ATOM 1921 CA THR A 242 17.814 15.827 -15.518 1.00 0.24 C +ATOM 1922 C THR A 242 17.878 16.199 -14.050 1.00 0.24 C +ATOM 1923 O THR A 242 18.935 16.136 -13.434 1.00 0.24 O +ATOM 1924 CB THR A 242 18.420 16.959 -16.383 1.00 0.24 C +ATOM 1925 OG1 THR A 242 18.558 16.498 -17.733 1.00 0.24 O +ATOM 1926 CG2 THR A 242 19.796 17.375 -15.857 1.00 0.24 C +ATOM 1927 N THR A 243 16.727 16.590 -13.510 1.00 0.01 N +ATOM 1928 CA THR A 243 16.588 16.931 -12.100 1.00 0.01 C +ATOM 1929 C THR A 243 16.856 15.666 -11.342 1.00 0.01 C +ATOM 1930 O THR A 243 17.847 15.567 -10.627 1.00 0.01 O +ATOM 1931 CB THR A 243 15.146 17.396 -11.774 1.00 0.01 C +ATOM 1932 OG1 THR A 243 14.954 18.728 -12.260 1.00 0.01 O +ATOM 1933 CG2 THR A 243 14.882 17.354 -10.272 1.00 0.01 C +ATOM 1934 N GLN A 244 15.963 14.698 -11.521 1.00 0.00 N +ATOM 1935 CA GLN A 244 16.076 13.396 -10.883 1.00 0.00 C +ATOM 1936 C GLN A 244 17.473 12.833 -11.134 1.00 0.00 C +ATOM 1937 O GLN A 244 18.087 12.270 -10.228 1.00 0.00 O +ATOM 1938 CB GLN A 244 14.993 12.474 -11.450 1.00 0.00 C +ATOM 1939 CG GLN A 244 15.002 11.063 -10.906 1.00 0.00 C +ATOM 1940 CD GLN A 244 16.045 10.177 -11.571 1.00 0.00 C +ATOM 1941 OE1 GLN A 244 17.241 10.445 -11.507 1.00 0.00 O +ATOM 1942 NE2 GLN A 244 15.586 9.110 -12.215 1.00 0.00 N +ATOM 1943 N LYS A 245 17.968 12.981 -12.357 1.00 0.40 N +ATOM 1944 CA LYS A 245 19.294 12.496 -12.714 1.00 0.40 C +ATOM 1945 C LYS A 245 20.333 12.971 -11.715 1.00 0.40 C +ATOM 1946 O LYS A 245 20.908 12.167 -11.005 1.00 0.40 O +ATOM 1947 CB LYS A 245 19.665 12.985 -14.113 1.00 0.40 C +ATOM 1948 CG LYS A 245 21.148 12.952 -14.430 1.00 0.40 C +ATOM 1949 CD LYS A 245 21.696 11.536 -14.591 1.00 0.40 C +ATOM 1950 CE LYS A 245 22.051 10.854 -13.273 1.00 0.40 C +ATOM 1951 NZ LYS A 245 20.868 10.310 -12.547 1.00 0.40 N +ATOM 1952 N ALA A 246 20.566 14.274 -11.663 1.00 0.00 N +ATOM 1953 CA ALA A 246 21.553 14.857 -10.764 1.00 0.00 C +ATOM 1954 C ALA A 246 21.252 14.574 -9.299 1.00 0.00 C +ATOM 1955 O ALA A 246 22.036 14.957 -8.433 1.00 0.00 O +ATOM 1956 CB ALA A 246 21.619 16.340 -10.993 1.00 0.00 C +ATOM 1957 N GLU A 247 20.133 13.921 -9.013 1.00 0.00 N +ATOM 1958 CA GLU A 247 19.770 13.603 -7.634 1.00 0.00 C +ATOM 1959 C GLU A 247 20.489 12.357 -7.241 1.00 0.00 C +ATOM 1960 O GLU A 247 20.845 12.136 -6.082 1.00 0.00 O +ATOM 1961 CB GLU A 247 18.269 13.361 -7.526 1.00 0.00 C +ATOM 1962 CG GLU A 247 17.768 13.590 -6.144 1.00 0.00 C +ATOM 1963 CD GLU A 247 18.501 14.749 -5.515 1.00 0.00 C +ATOM 1964 OE1 GLU A 247 19.624 14.529 -5.002 1.00 0.00 O +ATOM 1965 OE2 GLU A 247 17.975 15.884 -5.560 1.00 0.00 O +ATOM 1966 N LYS A 248 20.673 11.531 -8.254 1.00 0.19 N +ATOM 1967 CA LYS A 248 21.349 10.265 -8.142 1.00 0.19 C +ATOM 1968 C LYS A 248 22.811 10.537 -7.836 1.00 0.19 C +ATOM 1969 O LYS A 248 23.459 9.717 -7.189 1.00 0.19 O +ATOM 1970 CB LYS A 248 21.197 9.528 -9.477 1.00 0.19 C +ATOM 1971 CG LYS A 248 21.346 8.018 -9.426 1.00 0.19 C +ATOM 1972 CD LYS A 248 20.378 7.363 -10.420 1.00 0.19 C +ATOM 1973 CE LYS A 248 18.921 7.787 -10.134 1.00 0.19 C +ATOM 1974 NZ LYS A 248 17.912 7.168 -11.051 1.00 0.19 N +ATOM 1975 N GLU A 249 23.322 11.689 -8.277 1.00 0.00 N +ATOM 1976 CA GLU A 249 24.726 12.027 -8.064 1.00 0.00 C +ATOM 1977 C GLU A 249 25.015 12.366 -6.624 1.00 0.00 C +ATOM 1978 O GLU A 249 25.952 11.825 -6.045 1.00 0.00 O +ATOM 1979 CB GLU A 249 25.152 13.200 -8.945 1.00 0.00 C +ATOM 1980 CG GLU A 249 26.585 13.654 -8.644 1.00 0.00 C +ATOM 1981 CD GLU A 249 26.919 15.029 -9.221 1.00 0.00 C +ATOM 1982 OE1 GLU A 249 26.012 15.899 -9.232 1.00 0.00 O +ATOM 1983 OE2 GLU A 249 28.085 15.246 -9.646 1.00 0.00 O +ATOM 1984 N VAL A 250 24.241 13.266 -6.042 1.00 0.00 N +ATOM 1985 CA VAL A 250 24.485 13.631 -4.664 1.00 0.00 C +ATOM 1986 C VAL A 250 24.453 12.405 -3.781 1.00 0.00 C +ATOM 1987 O VAL A 250 25.286 12.280 -2.891 1.00 0.00 O +ATOM 1988 CB VAL A 250 23.448 14.631 -4.162 1.00 0.00 C +ATOM 1989 CG1 VAL A 250 23.550 14.763 -2.658 1.00 0.00 C +ATOM 1990 CG2 VAL A 250 23.673 15.977 -4.810 1.00 0.00 C +ATOM 1991 N THR A 251 23.500 11.506 -4.021 1.00 0.00 N +ATOM 1992 CA THR A 251 23.377 10.288 -3.221 1.00 0.00 C +ATOM 1993 C THR A 251 24.639 9.411 -3.402 1.00 0.00 C +ATOM 1994 O THR A 251 25.140 8.882 -2.409 1.00 0.00 O +ATOM 1995 CB THR A 251 22.069 9.485 -3.599 1.00 0.00 C +ATOM 1996 OG1 THR A 251 20.951 10.382 -3.683 1.00 0.00 O +ATOM 1997 CG2 THR A 251 21.747 8.434 -2.537 1.00 0.00 C +ATOM 1998 N ARG A 252 25.155 9.282 -4.632 1.00 0.60 N +ATOM 1999 CA ARG A 252 26.351 8.470 -4.901 1.00 0.60 C +ATOM 2000 C ARG A 252 27.477 8.991 -4.057 1.00 0.60 C +ATOM 2001 O ARG A 252 28.271 8.228 -3.538 1.00 0.60 O +ATOM 2002 CB ARG A 252 26.774 8.573 -6.372 1.00 0.60 C +ATOM 2003 CG ARG A 252 27.077 7.244 -7.130 1.00 0.60 C +ATOM 2004 CD ARG A 252 27.960 6.228 -6.350 1.00 0.60 C +ATOM 2005 NE ARG A 252 28.824 5.410 -7.225 1.00 0.60 N +ATOM 2006 CZ ARG A 252 29.215 4.159 -6.959 1.00 0.60 C +ATOM 2007 NH1 ARG A 252 28.804 3.566 -5.841 1.00 0.60 N +ATOM 2008 NH2 ARG A 252 30.040 3.513 -7.790 1.00 0.60 N +ATOM 2009 N MET A 253 27.546 10.303 -3.918 1.00 0.28 N +ATOM 2010 CA MET A 253 28.601 10.916 -3.136 1.00 0.28 C +ATOM 2011 C MET A 253 28.377 10.739 -1.645 1.00 0.28 C +ATOM 2012 O MET A 253 29.317 10.385 -0.927 1.00 0.28 O +ATOM 2013 CB MET A 253 28.690 12.395 -3.457 1.00 0.28 C +ATOM 2014 CG MET A 253 29.587 13.135 -2.518 1.00 0.28 C +ATOM 2015 SD MET A 253 29.852 14.776 -3.131 1.00 0.28 S +ATOM 2016 CE MET A 253 29.009 15.766 -1.952 1.00 0.28 C +ATOM 2017 N VAL A 254 27.160 11.004 -1.175 1.00 0.00 N +ATOM 2018 CA VAL A 254 26.858 10.859 0.240 1.00 0.00 C +ATOM 2019 C VAL A 254 27.175 9.449 0.655 1.00 0.00 C +ATOM 2020 O VAL A 254 27.499 9.203 1.815 1.00 0.00 O +ATOM 2021 CB VAL A 254 25.382 11.180 0.535 1.00 0.00 C +ATOM 2022 CG1 VAL A 254 25.018 10.767 1.930 1.00 0.00 C +ATOM 2023 CG2 VAL A 254 25.162 12.662 0.410 1.00 0.00 C +ATOM 2024 N ILE A 255 27.109 8.524 -0.294 1.00 0.12 N +ATOM 2025 CA ILE A 255 27.405 7.130 -0.006 1.00 0.12 C +ATOM 2026 C ILE A 255 28.926 6.932 0.025 1.00 0.12 C +ATOM 2027 O ILE A 255 29.426 6.217 0.888 1.00 0.12 O +ATOM 2028 CB ILE A 255 26.727 6.193 -1.058 1.00 0.12 C +ATOM 2029 CG1 ILE A 255 25.199 6.362 -1.004 1.00 0.12 C +ATOM 2030 CG2 ILE A 255 27.072 4.731 -0.785 1.00 0.12 C +ATOM 2031 CD1 ILE A 255 24.448 5.578 -2.093 1.00 0.12 C +ATOM 2032 N ILE A 256 29.661 7.565 -0.888 1.00 0.43 N +ATOM 2033 CA ILE A 256 31.115 7.444 -0.880 1.00 0.43 C +ATOM 2034 C ILE A 256 31.652 8.047 0.398 1.00 0.43 C +ATOM 2035 O ILE A 256 32.559 7.495 0.996 1.00 0.43 O +ATOM 2036 CB ILE A 256 31.740 8.179 -2.066 1.00 0.43 C +ATOM 2037 CG1 ILE A 256 31.471 7.388 -3.335 1.00 0.43 C +ATOM 2038 CG2 ILE A 256 33.246 8.358 -1.844 1.00 0.43 C +ATOM 2039 CD1 ILE A 256 32.159 6.070 -3.337 1.00 0.43 C +ATOM 2040 N MET A 257 31.075 9.174 0.804 1.00 0.12 N +ATOM 2041 CA MET A 257 31.468 9.884 2.018 1.00 0.12 C +ATOM 2042 C MET A 257 31.347 8.999 3.227 1.00 0.12 C +ATOM 2043 O MET A 257 32.082 9.187 4.207 1.00 0.12 O +ATOM 2044 CB MET A 257 30.577 11.102 2.235 1.00 0.12 C +ATOM 2045 CG MET A 257 30.908 12.306 1.401 1.00 0.12 C +ATOM 2046 SD MET A 257 29.728 13.579 1.841 1.00 0.12 S +ATOM 2047 CE MET A 257 30.372 14.233 3.378 1.00 0.12 C +ATOM 2048 N VAL A 258 30.409 8.061 3.179 1.00 0.00 N +ATOM 2049 CA VAL A 258 30.193 7.135 4.286 1.00 0.00 C +ATOM 2050 C VAL A 258 31.281 6.062 4.293 1.00 0.00 C +ATOM 2051 O VAL A 258 31.797 5.710 5.354 1.00 0.00 O +ATOM 2052 CB VAL A 258 28.814 6.467 4.174 1.00 0.00 C +ATOM 2053 CG1 VAL A 258 28.648 5.449 5.281 1.00 0.00 C +ATOM 2054 CG2 VAL A 258 27.718 7.529 4.235 1.00 0.00 C +ATOM 2055 N ILE A 259 31.630 5.546 3.119 1.00 0.36 N +ATOM 2056 CA ILE A 259 32.672 4.529 3.016 1.00 0.36 C +ATOM 2057 C ILE A 259 33.989 5.115 3.486 1.00 0.36 C +ATOM 2058 O ILE A 259 34.750 4.442 4.181 1.00 0.36 O +ATOM 2059 CB ILE A 259 32.835 4.056 1.541 1.00 0.36 C +ATOM 2060 CG1 ILE A 259 31.572 3.331 1.086 1.00 0.36 C +ATOM 2061 CG2 ILE A 259 34.010 3.123 1.399 1.00 0.36 C +ATOM 2062 CD1 ILE A 259 31.193 2.204 2.003 1.00 0.36 C +ATOM 2063 N ALA A 260 34.255 6.365 3.108 1.00 0.13 N +ATOM 2064 CA ALA A 260 35.497 7.036 3.476 1.00 0.13 C +ATOM 2065 C ALA A 260 35.573 7.196 4.972 1.00 0.13 C +ATOM 2066 O ALA A 260 36.650 7.069 5.539 1.00 0.13 O +ATOM 2067 CB ALA A 260 35.600 8.407 2.781 1.00 0.13 C +ATOM 2068 N PHE A 261 34.443 7.463 5.615 1.00 26.55 N +ATOM 2069 CA PHE A 261 34.422 7.635 7.063 1.00 26.55 C +ATOM 2070 C PHE A 261 34.803 6.338 7.774 1.00 26.55 C +ATOM 2071 O PHE A 261 35.666 6.346 8.654 1.00 26.55 O +ATOM 2072 CB PHE A 261 33.028 8.069 7.530 1.00 26.55 C +ATOM 2073 CG PHE A 261 32.941 8.332 9.012 1.00 26.55 C +ATOM 2074 CD1 PHE A 261 33.192 9.604 9.520 1.00 26.55 C +ATOM 2075 CD2 PHE A 261 32.651 7.297 9.905 1.00 26.55 C +ATOM 2076 CE1 PHE A 261 33.157 9.840 10.898 1.00 26.55 C +ATOM 2077 CE2 PHE A 261 32.615 7.518 11.284 1.00 26.55 C +ATOM 2078 CZ PHE A 261 32.867 8.786 11.784 1.00 26.55 C +ATOM 2079 N LEU A 262 34.158 5.240 7.401 1.00 0.07 N +ATOM 2080 CA LEU A 262 34.404 3.942 8.027 1.00 0.07 C +ATOM 2081 C LEU A 262 35.836 3.495 7.867 1.00 0.07 C +ATOM 2082 O LEU A 262 36.436 3.010 8.836 1.00 0.07 O +ATOM 2083 CB LEU A 262 33.462 2.923 7.424 1.00 0.07 C +ATOM 2084 CG LEU A 262 32.027 3.393 7.628 1.00 0.07 C +ATOM 2085 CD1 LEU A 262 31.158 2.787 6.571 1.00 0.07 C +ATOM 2086 CD2 LEU A 262 31.553 3.040 9.022 1.00 0.07 C +ATOM 2087 N ILE A 263 36.375 3.633 6.656 1.00 0.19 N +ATOM 2088 CA ILE A 263 37.760 3.269 6.375 1.00 0.19 C +ATOM 2089 C ILE A 263 38.659 4.009 7.361 1.00 0.19 C +ATOM 2090 O ILE A 263 39.573 3.448 7.963 1.00 0.19 O +ATOM 2091 CB ILE A 263 38.136 3.701 4.956 1.00 0.19 C +ATOM 2092 CG1 ILE A 263 37.361 2.877 3.952 1.00 0.19 C +ATOM 2093 CG2 ILE A 263 39.611 3.555 4.734 1.00 0.19 C +ATOM 2094 CD1 ILE A 263 37.689 3.236 2.544 1.00 0.19 C +ATOM 2095 N CYS A 264 38.345 5.279 7.535 1.00 0.08 N +ATOM 2096 CA CYS A 264 39.088 6.173 8.382 1.00 0.08 C +ATOM 2097 C CYS A 264 38.882 5.909 9.844 1.00 0.08 C +ATOM 2098 O CYS A 264 39.824 6.081 10.595 1.00 0.08 O +ATOM 2099 CB CYS A 264 38.651 7.590 8.067 1.00 0.08 C +ATOM 2100 SG CYS A 264 39.838 8.849 8.435 1.00 0.08 S +ATOM 2101 N TRP A 265 37.697 5.480 10.272 1.00 2.73 N +ATOM 2102 CA TRP A 265 37.491 5.322 11.714 1.00 2.73 C +ATOM 2103 C TRP A 265 37.334 3.916 12.252 1.00 2.73 C +ATOM 2104 O TRP A 265 37.499 3.734 13.472 1.00 2.73 O +ATOM 2105 CB TRP A 265 36.302 6.178 12.158 1.00 2.73 C +ATOM 2106 CG TRP A 265 36.600 7.618 12.005 1.00 2.73 C +ATOM 2107 CD1 TRP A 265 36.220 8.441 10.980 1.00 2.73 C +ATOM 2108 CD2 TRP A 265 37.411 8.406 12.875 1.00 2.73 C +ATOM 2109 NE1 TRP A 265 36.745 9.701 11.159 1.00 2.73 N +ATOM 2110 CE2 TRP A 265 37.480 9.709 12.314 1.00 2.73 C +ATOM 2111 CE3 TRP A 265 38.093 8.142 14.074 1.00 2.73 C +ATOM 2112 CZ2 TRP A 265 38.201 10.743 12.920 1.00 2.73 C +ATOM 2113 CZ3 TRP A 265 38.805 9.159 14.664 1.00 2.73 C +ATOM 2114 CH2 TRP A 265 38.855 10.449 14.089 1.00 2.73 C +ATOM 2115 N LEU A 266 37.030 2.935 11.413 1.00 0.04 N +ATOM 2116 CA LEU A 266 36.858 1.588 11.929 1.00 0.04 C +ATOM 2117 C LEU A 266 38.126 1.071 12.571 1.00 0.04 C +ATOM 2118 O LEU A 266 38.090 0.541 13.670 1.00 0.04 O +ATOM 2119 CB LEU A 266 36.379 0.655 10.820 1.00 0.04 C +ATOM 2120 CG LEU A 266 34.875 0.324 10.837 1.00 0.04 C +ATOM 2121 CD1 LEU A 266 34.118 1.234 11.783 1.00 0.04 C +ATOM 2122 CD2 LEU A 266 34.332 0.443 9.443 1.00 0.04 C +ATOM 2123 N PRO A 267 39.272 1.228 11.912 1.00 0.00 N +ATOM 2124 CA PRO A 267 40.477 0.716 12.563 1.00 0.00 C +ATOM 2125 C PRO A 267 40.749 1.331 13.940 1.00 0.00 C +ATOM 2126 O PRO A 267 41.090 0.617 14.901 1.00 0.00 O +ATOM 2127 CB PRO A 267 41.570 0.993 11.530 1.00 0.00 C +ATOM 2128 CG PRO A 267 40.977 2.066 10.639 1.00 0.00 C +ATOM 2129 CD PRO A 267 39.549 1.698 10.546 1.00 0.00 C +ATOM 2130 N TYR A 268 40.593 2.642 14.050 1.00 0.00 N +ATOM 2131 CA TYR A 268 40.812 3.318 15.320 1.00 0.00 C +ATOM 2132 C TYR A 268 39.838 2.784 16.331 1.00 0.00 C +ATOM 2133 O TYR A 268 40.241 2.234 17.354 1.00 0.00 O +ATOM 2134 CB TYR A 268 40.571 4.818 15.178 1.00 0.00 C +ATOM 2135 CG TYR A 268 40.671 5.531 16.501 1.00 0.00 C +ATOM 2136 CD1 TYR A 268 41.894 5.629 17.154 1.00 0.00 C +ATOM 2137 CD2 TYR A 268 39.533 6.045 17.137 1.00 0.00 C +ATOM 2138 CE1 TYR A 268 41.990 6.206 18.388 1.00 0.00 C +ATOM 2139 CE2 TYR A 268 39.622 6.621 18.376 1.00 0.00 C +ATOM 2140 CZ TYR A 268 40.858 6.698 18.994 1.00 0.00 C +ATOM 2141 OH TYR A 268 40.988 7.267 20.233 1.00 0.00 O +ATOM 2142 N ALA A 269 38.554 2.972 16.040 1.00 6.39 N +ATOM 2143 CA ALA A 269 37.483 2.528 16.911 1.00 6.39 C +ATOM 2144 C ALA A 269 37.695 1.078 17.281 1.00 6.39 C +ATOM 2145 O ALA A 269 37.456 0.697 18.424 1.00 6.39 O +ATOM 2146 CB ALA A 269 36.140 2.712 16.214 1.00 6.39 C +ATOM 2147 N GLY A 270 38.147 0.274 16.327 1.00 0.02 N +ATOM 2148 CA GLY A 270 38.382 -1.136 16.605 1.00 0.02 C +ATOM 2149 C GLY A 270 39.465 -1.386 17.648 1.00 0.02 C +ATOM 2150 O GLY A 270 39.268 -2.126 18.610 1.00 0.02 O +ATOM 2151 N VAL A 271 40.623 -0.760 17.453 1.00 0.19 N +ATOM 2152 CA VAL A 271 41.699 -0.911 18.404 1.00 0.19 C +ATOM 2153 C VAL A 271 41.219 -0.377 19.725 1.00 0.19 C +ATOM 2154 O VAL A 271 41.452 -1.011 20.730 1.00 0.19 O +ATOM 2155 CB VAL A 271 42.942 -0.139 17.974 1.00 0.19 C +ATOM 2156 CG1 VAL A 271 43.997 -0.177 19.079 1.00 0.19 C +ATOM 2157 CG2 VAL A 271 43.483 -0.744 16.705 1.00 0.19 C +ATOM 2158 N ALA A 272 40.524 0.760 19.710 1.00 0.11 N +ATOM 2159 CA ALA A 272 40.018 1.405 20.924 1.00 0.11 C +ATOM 2160 C ALA A 272 39.068 0.497 21.697 1.00 0.11 C +ATOM 2161 O ALA A 272 39.143 0.418 22.933 1.00 0.11 O +ATOM 2162 CB ALA A 272 39.322 2.699 20.564 1.00 0.11 C +ATOM 2163 N PHE A 273 38.176 -0.189 21.000 1.00 0.32 N +ATOM 2164 CA PHE A 273 37.256 -1.052 21.710 1.00 0.32 C +ATOM 2165 C PHE A 273 38.005 -2.212 22.323 1.00 0.32 C +ATOM 2166 O PHE A 273 37.740 -2.602 23.468 1.00 0.32 O +ATOM 2167 CB PHE A 273 36.190 -1.596 20.778 1.00 0.32 C +ATOM 2168 CG PHE A 273 35.111 -2.324 21.500 1.00 0.32 C +ATOM 2169 CD1 PHE A 273 34.190 -1.621 22.280 1.00 0.32 C +ATOM 2170 CD2 PHE A 273 35.062 -3.712 21.478 1.00 0.32 C +ATOM 2171 CE1 PHE A 273 33.236 -2.288 23.034 1.00 0.32 C +ATOM 2172 CE2 PHE A 273 34.116 -4.394 22.224 1.00 0.32 C +ATOM 2173 CZ PHE A 273 33.199 -3.680 23.009 1.00 0.32 C +ATOM 2174 N TYR A 274 38.932 -2.769 21.553 1.00 0.08 N +ATOM 2175 CA TYR A 274 39.743 -3.895 22.002 1.00 0.08 C +ATOM 2176 C TYR A 274 40.352 -3.572 23.340 1.00 0.08 C +ATOM 2177 O TYR A 274 40.076 -4.232 24.333 1.00 0.08 O +ATOM 2178 CB TYR A 274 40.861 -4.156 21.005 1.00 0.08 C +ATOM 2179 CG TYR A 274 41.764 -5.270 21.434 1.00 0.08 C +ATOM 2180 CD1 TYR A 274 41.470 -6.583 21.111 1.00 0.08 C +ATOM 2181 CD2 TYR A 274 42.898 -5.018 22.195 1.00 0.08 C +ATOM 2182 CE1 TYR A 274 42.285 -7.634 21.534 1.00 0.08 C +ATOM 2183 CE2 TYR A 274 43.725 -6.057 22.626 1.00 0.08 C +ATOM 2184 CZ TYR A 274 43.412 -7.368 22.290 1.00 0.08 C +ATOM 2185 OH TYR A 274 44.231 -8.412 22.690 1.00 0.08 O +ATOM 2186 N ILE A 275 41.194 -2.548 23.342 1.00 0.00 N +ATOM 2187 CA ILE A 275 41.889 -2.074 24.528 1.00 0.00 C +ATOM 2188 C ILE A 275 40.926 -1.914 25.670 1.00 0.00 C +ATOM 2189 O ILE A 275 41.246 -2.288 26.793 1.00 0.00 O +ATOM 2190 CB ILE A 275 42.585 -0.709 24.245 1.00 0.00 C +ATOM 2191 CG1 ILE A 275 43.772 -0.925 23.301 1.00 0.00 C +ATOM 2192 CG2 ILE A 275 43.014 -0.048 25.556 1.00 0.00 C +ATOM 2193 CD1 ILE A 275 44.196 0.310 22.557 1.00 0.00 C +ATOM 2194 N PHE A 276 39.752 -1.356 25.396 1.00 0.02 N +ATOM 2195 CA PHE A 276 38.779 -1.147 26.457 1.00 0.02 C +ATOM 2196 C PHE A 276 38.413 -2.486 27.029 1.00 0.02 C +ATOM 2197 O PHE A 276 38.315 -2.659 28.247 1.00 0.02 O +ATOM 2198 CB PHE A 276 37.529 -0.446 25.914 1.00 0.02 C +ATOM 2199 CG PHE A 276 36.482 -0.186 26.962 1.00 0.02 C +ATOM 2200 CD1 PHE A 276 36.734 0.687 28.015 1.00 0.02 C +ATOM 2201 CD2 PHE A 276 35.245 -0.818 26.902 1.00 0.02 C +ATOM 2202 CE1 PHE A 276 35.765 0.927 28.989 1.00 0.02 C +ATOM 2203 CE2 PHE A 276 34.282 -0.577 27.873 1.00 0.02 C +ATOM 2204 CZ PHE A 276 34.544 0.296 28.915 1.00 0.02 C +ATOM 2205 N THR A 277 38.251 -3.448 26.142 1.00 0.00 N +ATOM 2206 CA THR A 277 37.876 -4.775 26.556 1.00 0.00 C +ATOM 2207 C THR A 277 39.092 -5.609 26.926 1.00 0.00 C +ATOM 2208 O THR A 277 38.947 -6.764 27.273 1.00 0.00 O +ATOM 2209 CB THR A 277 37.071 -5.447 25.451 1.00 0.00 C +ATOM 2210 OG1 THR A 277 37.854 -5.508 24.255 1.00 0.00 O +ATOM 2211 CG2 THR A 277 35.812 -4.641 25.181 1.00 0.00 C +ATOM 2212 N HIS A 278 40.289 -5.044 26.861 1.00 0.95 N +ATOM 2213 CA HIS A 278 41.483 -5.804 27.235 1.00 0.95 C +ATOM 2214 C HIS A 278 42.454 -4.871 27.939 1.00 0.95 C +ATOM 2215 O HIS A 278 43.643 -4.848 27.626 1.00 0.95 O +ATOM 2216 CB HIS A 278 42.148 -6.413 25.998 1.00 0.95 C +ATOM 2217 CG HIS A 278 41.332 -7.472 25.326 1.00 0.95 C +ATOM 2218 ND1 HIS A 278 40.135 -7.206 24.696 1.00 0.95 N +ATOM 2219 CD2 HIS A 278 41.537 -8.806 25.193 1.00 0.95 C +ATOM 2220 CE1 HIS A 278 39.639 -8.330 24.205 1.00 0.95 C +ATOM 2221 NE2 HIS A 278 40.470 -9.316 24.493 1.00 0.95 N +ATOM 2222 N GLN A 279 41.941 -4.105 28.890 1.00 14.74 N +ATOM 2223 CA GLN A 279 42.743 -3.146 29.618 1.00 14.74 C +ATOM 2224 C GLN A 279 43.864 -3.871 30.345 1.00 14.74 C +ATOM 2225 O GLN A 279 43.640 -4.936 30.873 1.00 14.74 O +ATOM 2226 CB GLN A 279 41.822 -2.400 30.587 1.00 14.74 C +ATOM 2227 CG GLN A 279 40.492 -2.055 29.930 1.00 14.74 C +ATOM 2228 CD GLN A 279 39.481 -1.432 30.868 1.00 14.74 C +ATOM 2229 OE1 GLN A 279 39.399 -0.207 30.997 1.00 14.74 O +ATOM 2230 NE2 GLN A 279 38.701 -2.275 31.531 1.00 14.74 N +ATOM 2231 N GLY A 280 45.075 -3.323 30.338 1.00 0.00 N +ATOM 2232 CA GLY A 280 46.174 -3.959 31.053 1.00 0.00 C +ATOM 2233 C GLY A 280 46.905 -5.103 30.371 1.00 0.00 C +ATOM 2234 O GLY A 280 47.923 -5.588 30.880 1.00 0.00 O +ATOM 2235 N SER A 281 46.386 -5.540 29.229 1.00 0.38 N +ATOM 2236 CA SER A 281 47.003 -6.617 28.476 1.00 0.38 C +ATOM 2237 C SER A 281 48.261 -6.115 27.827 1.00 0.38 C +ATOM 2238 O SER A 281 48.593 -4.935 27.948 1.00 0.38 O +ATOM 2239 CB SER A 281 46.048 -7.154 27.418 1.00 0.38 C +ATOM 2240 OG SER A 281 45.542 -6.112 26.606 1.00 0.38 O +ATOM 2241 N ASP A 282 48.934 -6.994 27.097 1.00 2.78 N +ATOM 2242 CA ASP A 282 50.206 -6.643 26.508 1.00 2.78 C +ATOM 2243 C ASP A 282 50.185 -6.109 25.075 1.00 2.78 C +ATOM 2244 O ASP A 282 50.551 -6.832 24.154 1.00 2.78 O +ATOM 2245 CB ASP A 282 51.134 -7.851 26.592 1.00 2.78 C +ATOM 2246 CG ASP A 282 52.594 -7.489 26.337 1.00 2.78 C +ATOM 2247 OD1 ASP A 282 52.899 -6.273 26.283 1.00 2.78 O +ATOM 2248 OD2 ASP A 282 53.436 -8.419 26.208 1.00 2.78 O +ATOM 2249 N PHE A 283 49.777 -4.861 24.871 1.00 0.30 N +ATOM 2250 CA PHE A 283 49.839 -4.277 23.535 1.00 0.30 C +ATOM 2251 C PHE A 283 50.973 -3.270 23.555 1.00 0.30 C +ATOM 2252 O PHE A 283 51.353 -2.827 24.633 1.00 0.30 O +ATOM 2253 CB PHE A 283 48.512 -3.604 23.130 1.00 0.30 C +ATOM 2254 CG PHE A 283 47.867 -2.805 24.211 1.00 0.30 C +ATOM 2255 CD1 PHE A 283 46.885 -3.368 25.008 1.00 0.30 C +ATOM 2256 CD2 PHE A 283 48.247 -1.489 24.442 1.00 0.30 C +ATOM 2257 CE1 PHE A 283 46.285 -2.635 26.028 1.00 0.30 C +ATOM 2258 CE2 PHE A 283 47.656 -0.743 25.459 1.00 0.30 C +ATOM 2259 CZ PHE A 283 46.671 -1.319 26.257 1.00 0.30 C +ATOM 2260 N GLY A 284 51.525 -2.911 22.398 1.00 0.76 N +ATOM 2261 CA GLY A 284 52.632 -1.960 22.386 1.00 0.76 C +ATOM 2262 C GLY A 284 52.278 -0.583 21.869 1.00 0.76 C +ATOM 2263 O GLY A 284 51.132 -0.349 21.492 1.00 0.76 O +ATOM 2264 N PRO A 285 53.249 0.348 21.821 1.00 0.14 N +ATOM 2265 CA PRO A 285 53.005 1.717 21.338 1.00 0.14 C +ATOM 2266 C PRO A 285 52.540 1.859 19.889 1.00 0.14 C +ATOM 2267 O PRO A 285 51.765 2.756 19.576 1.00 0.14 O +ATOM 2268 CB PRO A 285 54.348 2.423 21.593 1.00 0.14 C +ATOM 2269 CG PRO A 285 55.334 1.332 21.465 1.00 0.14 C +ATOM 2270 CD PRO A 285 54.661 0.177 22.201 1.00 0.14 C +ATOM 2271 N ILE A 286 52.996 0.976 19.010 1.00 29.06 N +ATOM 2272 CA ILE A 286 52.630 1.068 17.598 1.00 29.06 C +ATOM 2273 C ILE A 286 51.182 0.675 17.402 1.00 29.06 C +ATOM 2274 O ILE A 286 50.502 1.235 16.543 1.00 29.06 O +ATOM 2275 CB ILE A 286 53.541 0.156 16.725 1.00 29.06 C +ATOM 2276 CG1 ILE A 286 55.026 0.364 17.092 1.00 29.06 C +ATOM 2277 CG2 ILE A 286 53.308 0.454 15.256 1.00 29.06 C +ATOM 2278 CD1 ILE A 286 55.574 1.772 16.896 1.00 29.06 C +ATOM 2279 N PHE A 287 50.723 -0.275 18.208 1.00 0.37 N +ATOM 2280 CA PHE A 287 49.361 -0.774 18.140 1.00 0.37 C +ATOM 2281 C PHE A 287 48.375 0.329 17.787 1.00 0.37 C +ATOM 2282 O PHE A 287 47.716 0.250 16.741 1.00 0.37 O +ATOM 2283 CB PHE A 287 48.985 -1.418 19.481 1.00 0.37 C +ATOM 2284 CG PHE A 287 47.660 -2.146 19.470 1.00 0.37 C +ATOM 2285 CD1 PHE A 287 47.263 -2.900 18.367 1.00 0.37 C +ATOM 2286 CD2 PHE A 287 46.846 -2.148 20.600 1.00 0.37 C +ATOM 2287 CE1 PHE A 287 46.081 -3.647 18.397 1.00 0.37 C +ATOM 2288 CE2 PHE A 287 45.665 -2.891 20.644 1.00 0.37 C +ATOM 2289 CZ PHE A 287 45.286 -3.638 19.544 1.00 0.37 C +ATOM 2290 N MET A 288 48.287 1.369 18.611 1.00 0.00 N +ATOM 2291 CA MET A 288 47.308 2.441 18.378 1.00 0.00 C +ATOM 2292 C MET A 288 47.852 3.639 17.604 1.00 0.00 C +ATOM 2293 O MET A 288 47.081 4.466 17.122 1.00 0.00 O +ATOM 2294 CB MET A 288 46.718 2.892 19.721 1.00 0.00 C +ATOM 2295 CG MET A 288 45.702 4.014 19.623 1.00 0.00 C +ATOM 2296 SD MET A 288 44.301 3.691 18.533 1.00 0.00 S +ATOM 2297 CE MET A 288 42.959 3.521 19.732 1.00 0.00 C +ATOM 2298 N THR A 289 49.156 3.747 17.456 1.00 0.75 N +ATOM 2299 CA THR A 289 49.665 4.885 16.726 1.00 0.75 C +ATOM 2300 C THR A 289 49.176 4.855 15.280 1.00 0.75 C +ATOM 2301 O THR A 289 48.738 5.880 14.749 1.00 0.75 O +ATOM 2302 CB THR A 289 51.198 4.906 16.759 1.00 0.75 C +ATOM 2303 OG1 THR A 289 51.637 5.052 18.113 1.00 0.75 O +ATOM 2304 CG2 THR A 289 51.732 6.051 15.941 1.00 0.75 C +ATOM 2305 N ILE A 290 49.220 3.689 14.650 1.00 0.53 N +ATOM 2306 CA ILE A 290 48.832 3.593 13.252 1.00 0.53 C +ATOM 2307 C ILE A 290 47.394 4.019 12.952 1.00 0.53 C +ATOM 2308 O ILE A 290 47.197 4.883 12.112 1.00 0.53 O +ATOM 2309 CB ILE A 290 49.043 2.176 12.703 1.00 0.53 C +ATOM 2310 CG1 ILE A 290 50.435 1.656 13.076 1.00 0.53 C +ATOM 2311 CG2 ILE A 290 48.853 2.206 11.187 1.00 0.53 C +ATOM 2312 CD1 ILE A 290 51.532 2.352 12.374 1.00 0.53 C +ATOM 2313 N PRO A 291 46.379 3.430 13.607 1.00 0.00 N +ATOM 2314 CA PRO A 291 45.019 3.869 13.270 1.00 0.00 C +ATOM 2315 C PRO A 291 44.718 5.255 13.787 1.00 0.00 C +ATOM 2316 O PRO A 291 43.953 5.975 13.170 1.00 0.00 O +ATOM 2317 CB PRO A 291 44.139 2.802 13.915 1.00 0.00 C +ATOM 2318 CG PRO A 291 44.890 2.438 15.107 1.00 0.00 C +ATOM 2319 CD PRO A 291 46.334 2.348 14.606 1.00 0.00 C +ATOM 2320 N ALA A 292 45.324 5.625 14.912 1.00 9.73 N +ATOM 2321 CA ALA A 292 45.124 6.937 15.514 1.00 9.73 C +ATOM 2322 C ALA A 292 45.592 8.020 14.564 1.00 9.73 C +ATOM 2323 O ALA A 292 44.862 8.992 14.332 1.00 9.73 O +ATOM 2324 CB ALA A 292 45.887 7.029 16.820 1.00 9.73 C +ATOM 2325 N PHE A 293 46.797 7.870 14.013 1.00 0.54 N +ATOM 2326 CA PHE A 293 47.332 8.878 13.092 1.00 0.54 C +ATOM 2327 C PHE A 293 46.714 8.764 11.696 1.00 0.54 C +ATOM 2328 O PHE A 293 46.587 9.786 11.031 1.00 0.54 O +ATOM 2329 CB PHE A 293 48.881 8.812 13.022 1.00 0.54 C +ATOM 2330 CG PHE A 293 49.585 9.672 14.071 1.00 0.54 C +ATOM 2331 CD1 PHE A 293 49.547 9.322 15.428 1.00 0.54 C +ATOM 2332 CD2 PHE A 293 50.225 10.870 13.706 1.00 0.54 C +ATOM 2333 CE1 PHE A 293 50.126 10.153 16.400 1.00 0.54 C +ATOM 2334 CE2 PHE A 293 50.804 11.707 14.669 1.00 0.54 C +ATOM 2335 CZ PHE A 293 50.754 11.352 16.014 1.00 0.54 C +ATOM 2336 N PHE A 294 46.326 7.561 11.263 1.00 0.00 N +ATOM 2337 CA PHE A 294 45.732 7.396 9.940 1.00 0.00 C +ATOM 2338 C PHE A 294 44.389 8.078 9.893 1.00 0.00 C +ATOM 2339 O PHE A 294 44.026 8.649 8.875 1.00 0.00 O +ATOM 2340 CB PHE A 294 45.538 5.922 9.598 1.00 0.00 C +ATOM 2341 CG PHE A 294 44.619 5.700 8.433 1.00 0.00 C +ATOM 2342 CD1 PHE A 294 44.939 6.185 7.178 1.00 0.00 C +ATOM 2343 CD2 PHE A 294 43.411 5.053 8.598 1.00 0.00 C +ATOM 2344 CE1 PHE A 294 44.069 6.030 6.101 1.00 0.00 C +ATOM 2345 CE2 PHE A 294 42.530 4.893 7.519 1.00 0.00 C +ATOM 2346 CZ PHE A 294 42.865 5.383 6.275 1.00 0.00 C +ATOM 2347 N ALA A 295 43.659 8.005 11.001 1.00 1.21 N +ATOM 2348 CA ALA A 295 42.330 8.596 11.118 1.00 1.21 C +ATOM 2349 C ALA A 295 42.377 10.104 10.979 1.00 1.21 C +ATOM 2350 O ALA A 295 41.348 10.698 10.651 1.00 1.21 O +ATOM 2351 CB ALA A 295 41.707 8.218 12.446 1.00 1.21 C +ATOM 2352 N LYS A 296 43.538 10.727 11.209 1.00 0.00 N +ATOM 2353 CA LYS A 296 43.652 12.188 11.096 1.00 0.00 C +ATOM 2354 C LYS A 296 43.513 12.639 9.657 1.00 0.00 C +ATOM 2355 O LYS A 296 43.510 13.830 9.428 1.00 0.00 O +ATOM 2356 CB LYS A 296 44.959 12.672 11.641 1.00 0.00 C +ATOM 2357 CG LYS A 296 45.045 12.291 13.101 1.00 0.00 C +ATOM 2358 CD LYS A 296 46.393 12.695 13.669 1.00 0.00 C +ATOM 2359 CE LYS A 296 46.627 12.709 15.174 1.00 0.00 C +ATOM 2360 NZ LYS A 296 45.589 12.484 16.204 1.00 0.00 N +ATOM 2361 N THR A 297 43.430 11.724 8.693 1.00 0.14 N +ATOM 2362 CA THR A 297 43.258 12.147 7.309 1.00 0.14 C +ATOM 2363 C THR A 297 41.806 12.562 7.125 1.00 0.14 C +ATOM 2364 O THR A 297 41.417 13.080 6.070 1.00 0.14 O +ATOM 2365 CB THR A 297 43.636 11.025 6.313 1.00 0.14 C +ATOM 2366 OG1 THR A 297 42.953 9.810 6.657 1.00 0.14 O +ATOM 2367 CG2 THR A 297 45.127 10.805 6.321 1.00 0.14 C +ATOM 2368 N SER A 298 41.021 12.359 8.183 1.00 0.03 N +ATOM 2369 CA SER A 298 39.600 12.706 8.205 1.00 0.03 C +ATOM 2370 C SER A 298 39.404 14.208 8.059 1.00 0.03 C +ATOM 2371 O SER A 298 38.282 14.663 7.779 1.00 0.03 O +ATOM 2372 CB SER A 298 38.982 12.264 9.525 1.00 0.03 C +ATOM 2373 OG SER A 298 39.522 13.012 10.599 1.00 0.03 O +ATOM 2374 N ALA A 299 40.474 14.971 8.263 1.00 2.94 N +ATOM 2375 CA ALA A 299 40.401 16.420 8.162 1.00 2.94 C +ATOM 2376 C ALA A 299 40.595 16.845 6.742 1.00 2.94 C +ATOM 2377 O ALA A 299 40.545 18.049 6.462 1.00 2.94 O +ATOM 2378 CB ALA A 299 41.460 17.078 9.050 1.00 2.94 C +ATOM 2379 N VAL A 300 40.796 15.896 5.823 1.00 3.27 N +ATOM 2380 CA VAL A 300 41.029 16.278 4.428 1.00 3.27 C +ATOM 2381 C VAL A 300 40.230 15.502 3.380 1.00 3.27 C +ATOM 2382 O VAL A 300 39.856 16.088 2.371 1.00 3.27 O +ATOM 2383 CB VAL A 300 42.515 16.138 4.073 1.00 3.27 C +ATOM 2384 CG1 VAL A 300 43.356 16.903 5.048 1.00 3.27 C +ATOM 2385 CG2 VAL A 300 42.916 14.687 4.112 1.00 3.27 C +ATOM 2386 N TYR A 301 39.946 14.224 3.587 1.00 0.00 N +ATOM 2387 CA TYR A 301 39.275 13.498 2.521 1.00 0.00 C +ATOM 2388 C TYR A 301 37.918 14.034 2.166 1.00 0.00 C +ATOM 2389 O TYR A 301 37.562 13.923 1.014 1.00 0.00 O +ATOM 2390 CB TYR A 301 39.196 11.999 2.823 1.00 0.00 C +ATOM 2391 CG TYR A 301 38.142 11.606 3.813 1.00 0.00 C +ATOM 2392 CD1 TYR A 301 36.794 11.573 3.459 1.00 0.00 C +ATOM 2393 CD2 TYR A 301 38.488 11.311 5.121 1.00 0.00 C +ATOM 2394 CE1 TYR A 301 35.813 11.265 4.402 1.00 0.00 C +ATOM 2395 CE2 TYR A 301 37.529 10.998 6.066 1.00 0.00 C +ATOM 2396 CZ TYR A 301 36.192 10.982 5.713 1.00 0.00 C +ATOM 2397 OH TYR A 301 35.260 10.744 6.702 1.00 0.00 O +ATOM 2398 N ASN A 302 37.167 14.622 3.093 1.00 0.00 N +ATOM 2399 CA ASN A 302 35.820 15.105 2.745 1.00 0.00 C +ATOM 2400 C ASN A 302 35.813 16.060 1.561 1.00 0.00 C +ATOM 2401 O ASN A 302 35.075 15.817 0.600 1.00 0.00 O +ATOM 2402 CB ASN A 302 35.138 15.748 3.944 1.00 0.00 C +ATOM 2403 CG ASN A 302 34.535 14.720 4.876 1.00 0.00 C +ATOM 2404 OD1 ASN A 302 34.880 14.645 6.080 1.00 0.00 O +ATOM 2405 ND2 ASN A 302 33.630 13.905 4.332 1.00 0.00 N +ATOM 2406 N PRO A 303 36.606 17.153 1.604 1.00 0.00 N +ATOM 2407 CA PRO A 303 36.655 18.118 0.491 1.00 0.00 C +ATOM 2408 C PRO A 303 37.106 17.498 -0.826 1.00 0.00 C +ATOM 2409 O PRO A 303 36.653 17.916 -1.893 1.00 0.00 O +ATOM 2410 CB PRO A 303 37.646 19.170 0.987 1.00 0.00 C +ATOM 2411 CG PRO A 303 37.463 19.133 2.449 1.00 0.00 C +ATOM 2412 CD PRO A 303 37.382 17.657 2.751 1.00 0.00 C +ATOM 2413 N VAL A 304 37.990 16.509 -0.757 1.00 0.06 N +ATOM 2414 CA VAL A 304 38.475 15.873 -1.970 1.00 0.06 C +ATOM 2415 C VAL A 304 37.340 15.141 -2.654 1.00 0.06 C +ATOM 2416 O VAL A 304 37.148 15.275 -3.856 1.00 0.06 O +ATOM 2417 CB VAL A 304 39.641 14.893 -1.659 1.00 0.06 C +ATOM 2418 CG1 VAL A 304 40.173 14.273 -2.937 1.00 0.06 C +ATOM 2419 CG2 VAL A 304 40.755 15.640 -0.966 1.00 0.06 C +ATOM 2420 N ILE A 305 36.580 14.379 -1.884 1.00 0.00 N +ATOM 2421 CA ILE A 305 35.472 13.616 -2.432 1.00 0.00 C +ATOM 2422 C ILE A 305 34.473 14.568 -3.045 1.00 0.00 C +ATOM 2423 O ILE A 305 33.898 14.300 -4.097 1.00 0.00 O +ATOM 2424 CB ILE A 305 34.794 12.781 -1.323 1.00 0.00 C +ATOM 2425 CG1 ILE A 305 35.799 11.781 -0.742 1.00 0.00 C +ATOM 2426 CG2 ILE A 305 33.610 12.040 -1.884 1.00 0.00 C +ATOM 2427 CD1 ILE A 305 35.222 10.899 0.311 1.00 0.00 C +ATOM 2428 N TYR A 306 34.301 15.701 -2.387 1.00 0.00 N +ATOM 2429 CA TYR A 306 33.358 16.733 -2.786 1.00 0.00 C +ATOM 2430 C TYR A 306 33.724 17.343 -4.130 1.00 0.00 C +ATOM 2431 O TYR A 306 32.904 17.387 -5.036 1.00 0.00 O +ATOM 2432 CB TYR A 306 33.357 17.786 -1.682 1.00 0.00 C +ATOM 2433 CG TYR A 306 32.378 18.934 -1.810 1.00 0.00 C +ATOM 2434 CD1 TYR A 306 31.069 18.738 -2.257 1.00 0.00 C +ATOM 2435 CD2 TYR A 306 32.743 20.210 -1.380 1.00 0.00 C +ATOM 2436 CE1 TYR A 306 30.150 19.800 -2.264 1.00 0.00 C +ATOM 2437 CE2 TYR A 306 31.848 21.265 -1.373 1.00 0.00 C +ATOM 2438 CZ TYR A 306 30.557 21.065 -1.812 1.00 0.00 C +ATOM 2439 OH TYR A 306 29.689 22.139 -1.767 1.00 0.00 O +ATOM 2440 N ILE A 307 34.954 17.811 -4.257 1.00 0.25 N +ATOM 2441 CA ILE A 307 35.397 18.432 -5.484 1.00 0.25 C +ATOM 2442 C ILE A 307 35.446 17.432 -6.633 1.00 0.25 C +ATOM 2443 O ILE A 307 35.173 17.803 -7.781 1.00 0.25 O +ATOM 2444 CB ILE A 307 36.752 19.050 -5.253 1.00 0.25 C +ATOM 2445 CG1 ILE A 307 36.637 19.996 -4.068 1.00 0.25 C +ATOM 2446 CG2 ILE A 307 37.219 19.781 -6.488 1.00 0.25 C +ATOM 2447 CD1 ILE A 307 37.939 20.413 -3.501 1.00 0.25 C +ATOM 2448 N MET A 308 35.767 16.175 -6.348 1.00 0.01 N +ATOM 2449 CA MET A 308 35.831 15.174 -7.407 1.00 0.01 C +ATOM 2450 C MET A 308 34.445 14.653 -7.776 1.00 0.01 C +ATOM 2451 O MET A 308 34.238 14.200 -8.919 1.00 0.01 O +ATOM 2452 CB MET A 308 36.707 13.990 -6.980 1.00 0.01 C +ATOM 2453 CG MET A 308 38.065 14.374 -6.431 1.00 0.01 C +ATOM 2454 SD MET A 308 38.902 15.651 -7.396 1.00 0.01 S +ATOM 2455 CE MET A 308 38.880 14.902 -8.936 1.00 0.01 C +ATOM 2456 N MET A 309 33.499 14.708 -6.838 1.00 0.00 N +ATOM 2457 CA MET A 309 32.157 14.172 -7.101 1.00 0.00 C +ATOM 2458 C MET A 309 31.077 15.249 -7.203 1.00 0.00 C +ATOM 2459 O MET A 309 29.900 14.959 -6.986 1.00 0.00 O +ATOM 2460 CB MET A 309 31.773 13.147 -6.024 1.00 0.00 C +ATOM 2461 CG MET A 309 32.688 11.931 -5.963 1.00 0.00 C +ATOM 2462 SD MET A 309 32.050 10.663 -4.856 1.00 0.00 S +ATOM 2463 CE MET A 309 30.866 9.882 -5.921 1.00 0.00 C +ATOM 2464 N ASN A 310 31.455 16.474 -7.539 1.00 0.00 N +ATOM 2465 CA ASN A 310 30.458 17.511 -7.660 1.00 0.00 C +ATOM 2466 C ASN A 310 30.859 18.472 -8.729 1.00 0.00 C +ATOM 2467 O ASN A 310 31.595 19.425 -8.455 1.00 0.00 O +ATOM 2468 CB ASN A 310 30.307 18.224 -6.348 1.00 0.00 C +ATOM 2469 CG ASN A 310 28.915 18.685 -6.128 1.00 0.00 C +ATOM 2470 OD1 ASN A 310 28.577 19.849 -6.372 1.00 0.00 O +ATOM 2471 ND2 ASN A 310 28.067 17.764 -5.680 1.00 0.00 N +ATOM 2472 N LYS A 311 30.371 18.224 -9.944 1.00 0.07 N +ATOM 2473 CA LYS A 311 30.693 19.042 -11.105 1.00 0.07 C +ATOM 2474 C LYS A 311 30.421 20.504 -10.825 1.00 0.07 C +ATOM 2475 O LYS A 311 31.208 21.347 -11.255 1.00 0.07 O +ATOM 2476 CB LYS A 311 29.879 18.577 -12.320 1.00 0.07 C +ATOM 2477 CG LYS A 311 30.543 18.809 -13.696 1.00 0.07 C +ATOM 2478 CD LYS A 311 31.240 17.531 -14.257 1.00 0.07 C +ATOM 2479 CE LYS A 311 31.672 17.659 -15.744 1.00 0.07 C +ATOM 2480 NZ LYS A 311 32.651 18.760 -15.986 1.00 0.07 N +ATOM 2481 N GLN A 312 29.345 20.815 -10.099 1.00 0.00 N +ATOM 2482 CA GLN A 312 29.012 22.211 -9.821 1.00 0.00 C +ATOM 2483 C GLN A 312 29.961 22.877 -8.862 1.00 0.00 C +ATOM 2484 O GLN A 312 30.321 24.020 -9.094 1.00 0.00 O +ATOM 2485 CB GLN A 312 27.604 22.366 -9.265 1.00 0.00 C +ATOM 2486 CG GLN A 312 27.317 23.836 -8.887 1.00 0.00 C +ATOM 2487 CD GLN A 312 25.913 24.089 -8.310 1.00 0.00 C +ATOM 2488 OE1 GLN A 312 25.533 23.541 -7.262 1.00 0.00 O +ATOM 2489 NE2 GLN A 312 25.143 24.935 -8.991 1.00 0.00 N +ATOM 2490 N PHE A 313 30.348 22.213 -7.777 1.00 0.00 N +ATOM 2491 CA PHE A 313 31.258 22.840 -6.832 1.00 0.00 C +ATOM 2492 C PHE A 313 32.636 22.944 -7.431 1.00 0.00 C +ATOM 2493 O PHE A 313 33.309 23.938 -7.231 1.00 0.00 O +ATOM 2494 CB PHE A 313 31.322 22.043 -5.549 1.00 0.00 C +ATOM 2495 CG PHE A 313 32.146 22.694 -4.503 1.00 0.00 C +ATOM 2496 CD1 PHE A 313 31.658 23.793 -3.810 1.00 0.00 C +ATOM 2497 CD2 PHE A 313 33.438 22.242 -4.239 1.00 0.00 C +ATOM 2498 CE1 PHE A 313 32.444 24.440 -2.866 1.00 0.00 C +ATOM 2499 CE2 PHE A 313 34.238 22.878 -3.296 1.00 0.00 C +ATOM 2500 CZ PHE A 313 33.742 23.980 -2.607 1.00 0.00 C +ATOM 2501 N ARG A 314 33.049 21.912 -8.159 1.00 0.00 N +ATOM 2502 CA ARG A 314 34.356 21.887 -8.811 1.00 0.00 C +ATOM 2503 C ARG A 314 34.483 23.074 -9.754 1.00 0.00 C +ATOM 2504 O ARG A 314 35.515 23.731 -9.806 1.00 0.00 O +ATOM 2505 CB ARG A 314 34.513 20.582 -9.589 1.00 0.00 C +ATOM 2506 CG ARG A 314 35.866 20.396 -10.220 1.00 0.00 C +ATOM 2507 CD ARG A 314 36.034 18.952 -10.647 1.00 0.00 C +ATOM 2508 NE ARG A 314 35.141 18.526 -11.725 1.00 0.00 N +ATOM 2509 CZ ARG A 314 34.273 17.521 -11.623 1.00 0.00 C +ATOM 2510 NH1 ARG A 314 34.155 16.845 -10.487 1.00 0.00 N +ATOM 2511 NH2 ARG A 314 33.564 17.142 -12.676 1.00 0.00 N +ATOM 2512 N ASN A 315 33.414 23.330 -10.493 1.00 0.23 N +ATOM 2513 CA ASN A 315 33.347 24.426 -11.444 1.00 0.23 C +ATOM 2514 C ASN A 315 33.394 25.754 -10.746 1.00 0.23 C +ATOM 2515 O ASN A 315 34.075 26.657 -11.213 1.00 0.23 O +ATOM 2516 CB ASN A 315 32.060 24.327 -12.233 1.00 0.23 C +ATOM 2517 CG ASN A 315 32.256 23.663 -13.544 1.00 0.23 C +ATOM 2518 OD1 ASN A 315 32.756 24.282 -14.477 1.00 0.23 O +ATOM 2519 ND2 ASN A 315 31.890 22.386 -13.633 1.00 0.23 N +ATOM 2520 N CYS A 316 32.653 25.887 -9.650 1.00 0.00 N +ATOM 2521 CA CYS A 316 32.641 27.139 -8.890 1.00 0.00 C +ATOM 2522 C CYS A 316 34.029 27.388 -8.336 1.00 0.00 C +ATOM 2523 O CYS A 316 34.420 28.542 -8.148 1.00 0.00 O +ATOM 2524 CB CYS A 316 31.617 27.089 -7.737 1.00 0.00 C +ATOM 2525 SG CYS A 316 29.919 27.553 -8.199 1.00 0.00 S +ATOM 2526 N MET A 317 34.768 26.311 -8.084 1.00 0.00 N +ATOM 2527 CA MET A 317 36.122 26.409 -7.562 1.00 0.00 C +ATOM 2528 C MET A 317 37.060 26.823 -8.689 1.00 0.00 C +ATOM 2529 O MET A 317 37.882 27.718 -8.503 1.00 0.00 O +ATOM 2530 CB MET A 317 36.547 25.062 -6.994 1.00 0.00 C +ATOM 2531 CG MET A 317 37.944 25.065 -6.417 1.00 0.00 C +ATOM 2532 SD MET A 317 38.527 23.397 -6.188 1.00 0.00 S +ATOM 2533 CE MET A 317 38.980 22.924 -8.005 1.00 0.00 C +ATOM 2534 N VAL A 318 36.941 26.167 -9.844 1.00 1.26 N +ATOM 2535 CA VAL A 318 37.772 26.504 -10.988 1.00 1.26 C +ATOM 2536 C VAL A 318 37.479 27.929 -11.342 1.00 1.26 C +ATOM 2537 O VAL A 318 38.385 28.688 -11.614 1.00 1.26 O +ATOM 2538 CB VAL A 318 37.460 25.640 -12.195 1.00 1.26 C +ATOM 2539 CG1 VAL A 318 38.290 26.080 -13.355 1.00 1.26 C +ATOM 2540 CG2 VAL A 318 37.745 24.206 -11.875 1.00 1.26 C +ATOM 2541 N THR A 319 36.205 28.299 -11.330 1.00 0.06 N +ATOM 2542 CA THR A 319 35.818 29.670 -11.632 1.00 0.06 C +ATOM 2543 C THR A 319 36.507 30.611 -10.667 1.00 0.06 C +ATOM 2544 O THR A 319 37.049 31.616 -11.091 1.00 0.06 O +ATOM 2545 CB THR A 319 34.302 29.857 -11.513 1.00 0.06 C +ATOM 2546 OG1 THR A 319 33.664 29.357 -12.693 1.00 0.06 O +ATOM 2547 CG2 THR A 319 33.965 31.311 -11.330 1.00 0.06 C +ATOM 2548 N THR A 320 36.486 30.280 -9.377 1.00 0.03 N +ATOM 2549 CA THR A 320 37.111 31.102 -8.340 1.00 0.03 C +ATOM 2550 C THR A 320 38.619 31.138 -8.531 1.00 0.03 C +ATOM 2551 O THR A 320 39.179 32.218 -8.667 1.00 0.03 O +ATOM 2552 CB THR A 320 36.794 30.550 -6.928 1.00 0.03 C +ATOM 2553 OG1 THR A 320 35.377 30.532 -6.729 1.00 0.03 O +ATOM 2554 CG2 THR A 320 37.410 31.422 -5.855 1.00 0.03 C +ATOM 2555 N LEU A 321 39.267 29.971 -8.535 1.00 0.00 N +ATOM 2556 CA LEU A 321 40.718 29.891 -8.713 1.00 0.00 C +ATOM 2557 C LEU A 321 41.160 30.667 -9.938 1.00 0.00 C +ATOM 2558 O LEU A 321 42.120 31.424 -9.832 1.00 0.00 O +ATOM 2559 CB LEU A 321 41.178 28.435 -8.847 1.00 0.00 C +ATOM 2560 CG LEU A 321 41.314 27.582 -7.588 1.00 0.00 C +ATOM 2561 CD1 LEU A 321 41.736 26.185 -7.974 1.00 0.00 C +ATOM 2562 CD2 LEU A 321 42.334 28.181 -6.669 1.00 0.00 C +ATOM 2563 N CYS A 322 40.482 30.487 -11.078 1.00 0.00 N +ATOM 2564 CA CYS A 322 40.835 31.190 -12.319 1.00 0.00 C +ATOM 2565 C CYS A 322 40.571 32.661 -12.178 1.00 0.00 C +ATOM 2566 O CYS A 322 40.216 33.310 -13.153 1.00 0.00 O +ATOM 2567 CB CYS A 322 40.095 30.680 -13.558 1.00 0.00 C +ATOM 2568 SG CYS A 322 40.200 28.891 -13.832 1.00 0.00 S +ATOM 2569 N CYS A 323 40.733 33.157 -10.951 1.00 3.16 N +ATOM 2570 CA CYS A 323 40.564 34.565 -10.579 1.00 3.16 C +ATOM 2571 C CYS A 323 39.303 35.137 -11.195 1.00 3.16 C +ATOM 2572 O CYS A 323 38.373 35.452 -10.462 1.00 3.16 O +ATOM 2573 CB CYS A 323 41.787 35.378 -11.000 1.00 3.16 C +ATOM 2574 SG CYS A 323 43.328 34.809 -10.190 1.00 3.16 S +ATOM 2575 N GLY A 324 39.267 35.286 -12.512 1.00 2.92 N +ATOM 2576 CA GLY A 324 38.075 35.806 -13.153 1.00 2.92 C +ATOM 2577 C GLY A 324 36.999 34.739 -13.174 1.00 2.92 C +ATOM 2578 O GLY A 324 36.445 34.393 -12.142 1.00 2.92 O +ATOM 2579 N LYS A 325 36.701 34.215 -14.354 1.00 0.64 N +ATOM 2580 CA LYS A 325 35.694 33.172 -14.481 1.00 0.64 C +ATOM 2581 C LYS A 325 36.211 32.128 -15.437 1.00 0.64 C +ATOM 2582 O LYS A 325 37.259 31.515 -15.173 1.00 0.64 O +ATOM 2583 CB LYS A 325 34.364 33.744 -15.013 1.00 0.64 C +ATOM 2584 CG LYS A 325 33.211 32.729 -15.015 1.00 0.64 C +ATOM 2585 CD LYS A 325 32.142 33.025 -16.055 1.00 0.64 C +ATOM 2586 CE LYS A 325 31.171 31.867 -16.090 1.00 0.64 C +ATOM 2587 NZ LYS A 325 30.294 31.896 -17.263 1.00 0.64 N +ATOM 2588 N ASN A 326 35.494 31.948 -16.548 1.00 0.03 N +ATOM 2589 CA ASN A 326 35.859 30.966 -17.554 1.00 0.03 C +ATOM 2590 C ASN A 326 35.984 29.629 -16.849 1.00 0.03 C +ATOM 2591 O ASN A 326 37.095 29.134 -16.639 1.00 0.03 O +ATOM 2592 CB ASN A 326 37.176 31.381 -18.223 1.00 0.03 C +ATOM 2593 CG ASN A 326 37.681 30.359 -19.216 1.00 0.03 C +ATOM 2594 OD1 ASN A 326 36.927 29.836 -20.045 1.00 0.03 O +ATOM 2595 ND2 ASN A 326 38.974 30.079 -19.150 1.00 0.03 N +ATOM 2596 N PRO A 327 34.836 29.040 -16.446 1.00 0.02 N +ATOM 2597 CA PRO A 327 34.801 27.751 -15.748 1.00 0.02 C +ATOM 2598 C PRO A 327 35.182 26.585 -16.647 1.00 0.02 C +ATOM 2599 O PRO A 327 34.724 25.464 -16.401 1.00 0.02 O +ATOM 2600 CB PRO A 327 33.354 27.667 -15.257 1.00 0.02 C +ATOM 2601 CG PRO A 327 32.602 28.328 -16.363 1.00 0.02 C +ATOM 2602 CD PRO A 327 33.467 29.546 -16.671 1.00 0.02 C +ATOM 2603 N LEU A 328 36.009 26.854 -17.664 1.00 0.00 N +ATOM 2604 CA LEU A 328 36.481 25.848 -18.630 1.00 0.00 C +ATOM 2605 C LEU A 328 35.712 24.543 -18.524 1.00 0.00 C +ATOM 2606 O LEU A 328 34.593 24.452 -19.045 1.00 0.00 O +ATOM 2607 CB LEU A 328 37.974 25.556 -18.431 1.00 0.00 C +ATOM 2608 CG LEU A 328 38.959 26.683 -18.722 1.00 0.00 C +ATOM 2609 CD1 LEU A 328 38.513 27.398 -19.998 1.00 0.00 C +ATOM 2610 CD2 LEU A 328 39.028 27.639 -17.543 1.00 0.00 C +ATOM 2611 N GLY A 329 36.325 23.554 -17.860 1.00 0.00 N +ATOM 2612 CA GLY A 329 35.736 22.234 -17.668 1.00 0.00 C +ATOM 2613 C GLY A 329 34.661 21.866 -18.668 1.00 0.00 C +ATOM 2614 O GLY A 329 34.807 22.040 -19.884 1.00 0.00 O +ATOM 2615 N ASP A 330 33.580 21.314 -18.140 1.00 0.01 N +ATOM 2616 CA ASP A 330 32.422 20.972 -18.943 1.00 0.01 C +ATOM 2617 C ASP A 330 31.262 21.713 -18.301 1.00 0.01 C +ATOM 2618 O ASP A 330 30.115 21.537 -18.711 1.00 0.01 O +ATOM 2619 CB ASP A 330 32.160 19.458 -18.910 1.00 0.01 C +ATOM 2620 CG ASP A 330 33.254 18.660 -19.582 1.00 0.01 C +ATOM 2621 OD1 ASP A 330 33.060 17.443 -19.786 1.00 0.01 O +ATOM 2622 OD2 ASP A 330 34.308 19.246 -19.902 1.00 0.01 O +ATOM 2623 N ASP A 331 31.589 22.571 -17.325 1.00 0.00 N +ATOM 2624 CA ASP A 331 30.606 23.326 -16.527 1.00 0.00 C +ATOM 2625 C ASP A 331 29.782 22.244 -15.803 1.00 0.00 C +ATOM 2626 O ASP A 331 30.336 21.164 -15.521 1.00 0.00 O +ATOM 2627 CB ASP A 331 29.707 24.230 -17.425 1.00 0.00 C +ATOM 2628 CG ASP A 331 29.906 25.761 -17.167 1.00 0.00 C +ATOM 2629 OD1 ASP A 331 29.532 26.273 -16.079 1.00 0.00 O +ATOM 2630 OD2 ASP A 331 30.429 26.459 -18.072 1.00 0.00 O +ATOM 2631 N GLU A 332 28.512 22.508 -15.489 1.00 0.03 N +ATOM 2632 CA GLU A 332 27.659 21.497 -14.849 1.00 0.03 C +ATOM 2633 C GLU A 332 26.561 21.132 -15.857 1.00 0.03 C +ATOM 2634 O GLU A 332 25.743 20.238 -15.597 1.00 0.03 O +ATOM 2635 CB GLU A 332 27.029 22.051 -13.555 1.00 0.03 C +ATOM 2636 CG GLU A 332 26.759 21.014 -12.430 1.00 0.03 C +ATOM 2637 CD GLU A 332 25.518 20.120 -12.639 1.00 0.03 C +ATOM 2638 OE1 GLU A 332 25.547 19.212 -13.496 1.00 0.03 O +ATOM 2639 OE2 GLU A 332 24.507 20.320 -11.931 1.00 0.03 O +ATOM 2640 N ALA A 333 26.571 21.813 -17.011 1.00 0.55 N +ATOM 2641 CA ALA A 333 25.571 21.617 -18.070 1.00 0.55 C +ATOM 2642 C ALA A 333 24.268 22.148 -17.532 1.00 0.55 C +ATOM 2643 O ALA A 333 23.406 22.622 -18.286 1.00 0.55 O +ATOM 2644 CB ALA A 333 25.433 20.131 -18.426 1.00 0.55 C +ATOM 2645 N SER A 334 24.155 22.058 -16.208 1.00 0.13 N +ATOM 2646 CA SER A 334 23.014 22.531 -15.448 1.00 0.13 C +ATOM 2647 C SER A 334 23.439 23.807 -14.700 1.00 0.13 C +ATOM 2648 O SER A 334 24.455 24.425 -15.055 1.00 0.13 O +ATOM 2649 CB SER A 334 22.542 21.437 -14.469 1.00 0.13 C +ATOM 2650 OG SER A 334 22.085 20.277 -15.158 1.00 0.13 O +ATOM 2651 N THR A 335 22.676 24.184 -13.678 1.00 0.80 N +ATOM 2652 CA THR A 335 22.926 25.397 -12.897 1.00 0.80 C +ATOM 2653 C THR A 335 24.411 25.674 -12.639 1.00 0.80 C +ATOM 2654 O THR A 335 25.266 24.788 -12.743 1.00 0.80 O +ATOM 2655 CB THR A 335 22.144 25.360 -11.526 1.00 0.80 C +ATOM 2656 OG1 THR A 335 22.424 24.137 -10.830 1.00 0.80 O +ATOM 2657 CG2 THR A 335 20.631 25.458 -11.757 1.00 0.80 C +ATOM 2658 N THR A 336 24.694 26.932 -12.321 1.00 0.50 N +ATOM 2659 CA THR A 336 26.035 27.407 -12.008 1.00 0.50 C +ATOM 2660 C THR A 336 25.882 28.333 -10.798 1.00 0.50 C +ATOM 2661 O THR A 336 24.785 28.379 -10.245 1.00 0.50 O +ATOM 2662 CB THR A 336 26.639 28.160 -13.227 1.00 0.50 C +ATOM 2663 OG1 THR A 336 25.574 28.650 -14.057 1.00 0.50 O +ATOM 2664 CG2 THR A 336 27.548 27.224 -14.052 1.00 0.50 C +ATOM 2665 N VAL A 337 26.935 29.031 -10.364 1.00 0.62 N +ATOM 2666 CA VAL A 337 26.817 29.941 -9.218 1.00 0.62 C +ATOM 2667 C VAL A 337 28.100 30.654 -8.913 1.00 0.62 C +ATOM 2668 O VAL A 337 29.163 30.150 -9.169 1.00 0.62 O +ATOM 2669 CB VAL A 337 26.356 29.219 -7.942 1.00 0.62 C +ATOM 2670 CG1 VAL A 337 26.965 27.842 -7.856 1.00 0.62 C +ATOM 2671 CG2 VAL A 337 26.749 30.034 -6.732 1.00 0.62 C +ATOM 2672 N SER A 338 27.975 31.842 -8.358 1.00 1.02 N +ATOM 2673 CA SER A 338 29.121 32.627 -8.015 1.00 1.02 C +ATOM 2674 C SER A 338 28.666 33.879 -7.334 1.00 1.02 C +ATOM 2675 O SER A 338 27.669 33.861 -6.603 1.00 1.02 O +ATOM 2676 CB SER A 338 29.886 32.983 -9.260 1.00 1.02 C +ATOM 2677 OG SER A 338 29.890 31.886 -10.125 1.00 1.02 O +ATOM 2678 N LYS A 339 29.378 34.974 -7.594 1.00 0.74 N +ATOM 2679 CA LYS A 339 29.087 36.275 -6.979 1.00 0.74 C +ATOM 2680 C LYS A 339 28.468 37.316 -7.975 1.00 0.74 C +ATOM 2681 O LYS A 339 27.272 37.616 -7.842 1.00 0.74 O +ATOM 2682 CB LYS A 339 30.382 36.821 -6.353 1.00 0.74 C +ATOM 2683 CG LYS A 339 30.197 37.906 -5.284 1.00 0.74 C +ATOM 2684 CD LYS A 339 31.536 38.579 -4.950 1.00 0.74 C +ATOM 2685 CE LYS A 339 32.136 39.250 -6.189 1.00 0.74 C +ATOM 2686 NZ LYS A 339 33.504 39.758 -5.943 1.00 0.74 N +ATOM 2687 N THR A 340 29.242 37.855 -8.933 1.00 0.02 N +ATOM 2688 CA THR A 340 28.720 38.859 -9.890 1.00 0.02 C +ATOM 2689 C THR A 340 28.493 38.294 -11.308 1.00 0.02 C +ATOM 2690 O THR A 340 27.836 38.967 -12.141 1.00 0.02 O +ATOM 2691 CB THR A 340 29.668 40.091 -10.015 1.00 0.02 C +ATOM 2692 OG1 THR A 340 29.128 41.025 -10.969 1.00 0.02 O +ATOM 2693 CG2 THR A 340 31.065 39.649 -10.468 1.00 0.02 C +ATOM 2694 N GLU A 341 29.021 37.095 -11.584 1.00 0.00 N +ATOM 2695 CA GLU A 341 28.869 36.459 -12.904 1.00 0.00 C +ATOM 2696 C GLU A 341 27.427 36.009 -13.134 1.00 0.00 C +ATOM 2697 O GLU A 341 26.484 36.834 -13.076 1.00 0.00 O +ATOM 2698 CB GLU A 341 29.816 35.239 -13.065 1.00 0.00 C +ATOM 2699 CG GLU A 341 29.454 33.984 -12.239 1.00 0.00 C +ATOM 2700 CD GLU A 341 29.787 32.683 -12.959 1.00 0.00 C +ATOM 2701 OE1 GLU A 341 29.342 32.502 -14.109 1.00 0.00 O +ATOM 2702 OE2 GLU A 341 30.488 31.836 -12.380 1.00 0.00 O +ATOM 2703 N THR A 342 27.261 34.708 -13.381 1.00 0.21 N +ATOM 2704 CA THR A 342 25.959 34.127 -13.647 1.00 0.21 C +ATOM 2705 C THR A 342 25.361 33.508 -12.405 1.00 0.21 C +ATOM 2706 O THR A 342 24.849 32.398 -12.462 1.00 0.21 O +ATOM 2707 CB THR A 342 26.054 33.075 -14.756 1.00 0.21 C +ATOM 2708 OG1 THR A 342 24.733 32.751 -15.205 1.00 0.21 O +ATOM 2709 CG2 THR A 342 26.773 31.818 -14.253 1.00 0.21 C +ATOM 2710 N SER A 343 25.429 34.223 -11.285 1.00 0.03 N +ATOM 2711 CA SER A 343 24.839 33.761 -10.030 1.00 0.03 C +ATOM 2712 C SER A 343 23.386 34.238 -10.067 1.00 0.03 C +ATOM 2713 O SER A 343 22.671 34.251 -9.054 1.00 0.03 O +ATOM 2714 CB SER A 343 25.590 34.366 -8.837 1.00 0.03 C +ATOM 2715 OG SER A 343 25.673 33.450 -7.759 1.00 0.03 O +ATOM 2716 N GLN A 344 22.995 34.628 -11.283 1.00 0.68 N +ATOM 2717 CA GLN A 344 21.674 35.126 -11.680 1.00 0.68 C +ATOM 2718 C GLN A 344 20.561 34.171 -11.212 1.00 0.68 C +ATOM 2719 O GLN A 344 20.414 33.099 -11.771 1.00 0.68 O +ATOM 2720 CB GLN A 344 21.679 35.317 -13.235 1.00 0.68 C +ATOM 2721 CG GLN A 344 22.243 34.098 -14.123 1.00 0.68 C +ATOM 2722 CD GLN A 344 22.818 34.489 -15.523 1.00 0.68 C +ATOM 2723 OE1 GLN A 344 23.904 35.031 -15.620 1.00 0.68 O +ATOM 2724 NE2 GLN A 344 22.083 34.199 -16.577 1.00 0.68 N +ATOM 2725 N VAL A 345 19.792 34.554 -10.192 1.00 0.47 N +ATOM 2726 CA VAL A 345 18.710 33.707 -9.658 1.00 0.47 C +ATOM 2727 C VAL A 345 17.825 33.182 -10.774 1.00 0.47 C +ATOM 2728 O VAL A 345 17.412 33.949 -11.632 1.00 0.47 O +ATOM 2729 CB VAL A 345 17.825 34.479 -8.643 1.00 0.47 C +ATOM 2730 CG1 VAL A 345 16.766 33.556 -8.052 1.00 0.47 C +ATOM 2731 CG2 VAL A 345 18.698 35.069 -7.534 1.00 0.47 C +ATOM 2732 N ALA A 346 17.514 31.888 -10.754 1.00 0.21 N +ATOM 2733 CA ALA A 346 16.702 31.296 -11.813 1.00 0.21 C +ATOM 2734 C ALA A 346 15.798 30.182 -11.306 1.00 0.21 C +ATOM 2735 O ALA A 346 15.931 29.045 -11.776 1.00 0.21 O +ATOM 2736 CB ALA A 346 17.613 30.754 -12.905 1.00 0.21 C +ATOM 2737 N PRO A 347 14.880 30.470 -10.353 1.00 0.11 N +ATOM 2738 CA PRO A 347 13.990 29.406 -9.855 1.00 0.11 C +ATOM 2739 C PRO A 347 12.822 29.263 -10.812 1.00 0.11 C +ATOM 2740 O PRO A 347 12.970 28.774 -11.939 1.00 0.11 O +ATOM 2741 CB PRO A 347 13.525 29.932 -8.482 1.00 0.11 C +ATOM 2742 CG PRO A 347 14.470 31.080 -8.159 1.00 0.11 C +ATOM 2743 CD PRO A 347 14.749 31.675 -9.518 1.00 0.11 C +ATOM 2744 N ALA A 348 11.664 29.716 -10.347 1.00 0.05 N +ATOM 2745 CA ALA A 348 10.436 29.683 -11.129 1.00 0.05 C +ATOM 2746 C ALA A 348 9.879 31.115 -11.234 1.00 0.05 C +ATOM 2747 O ALA A 348 10.409 32.002 -10.511 1.00 0.05 O +ATOM 2748 CB ALA A 348 9.412 28.746 -10.453 1.00 0.05 C +ATOM 2749 OXT ALA A 348 8.926 31.344 -12.029 1.00 0.05 O +TER 2750 ALA A 348 +HETATM 2751 C ACE B 0 44.730 -8.996 -33.269 1.00 48.90 C +HETATM 2752 O ACE B 0 45.505 -9.527 -32.467 1.00 48.47 O +HETATM 2753 CH3 ACE B 0 43.647 -9.830 -33.937 1.00 48.43 C +ATOM 2754 N MET B 1 44.765 -7.685 -33.605 1.00 49.05 N +ATOM 2755 CA MET B 1 45.712 -6.713 -33.052 1.00 49.12 C +ATOM 2756 C MET B 1 45.459 -6.536 -31.566 1.00 49.55 C +ATOM 2757 O MET B 1 44.313 -6.384 -31.155 1.00 50.13 O +ATOM 2758 CB MET B 1 45.546 -5.379 -33.774 1.00 49.04 C +ATOM 2759 CG MET B 1 45.831 -5.455 -35.273 1.00 49.35 C +ATOM 2760 SD MET B 1 47.511 -6.037 -35.632 1.00 51.45 S +ATOM 2761 CE MET B 1 48.501 -4.605 -35.222 1.00 49.95 C +ATOM 2762 N ASN B 2 46.518 -6.540 -30.763 1.00 49.64 N +ATOM 2763 CA ASN B 2 46.351 -6.416 -29.319 1.00 49.16 C +ATOM 2764 C ASN B 2 45.939 -5.027 -28.889 1.00 48.13 C +ATOM 2765 O ASN B 2 45.072 -4.911 -28.036 1.00 48.67 O +ATOM 2766 CB ASN B 2 47.615 -6.856 -28.604 1.00 50.31 C +ATOM 2767 CG ASN B 2 47.876 -8.311 -28.797 1.00 52.88 C +ATOM 2768 OD1 ASN B 2 47.003 -9.136 -28.565 1.00 53.15 O +ATOM 2769 ND2 ASN B 2 49.080 -8.633 -29.242 1.00 55.62 N +ATOM 2770 N GLY B 3 46.545 -3.985 -29.442 1.00 46.07 N +ATOM 2771 CA GLY B 3 46.143 -2.649 -29.052 1.00 43.80 C +ATOM 2772 C GLY B 3 45.369 -2.044 -30.200 1.00 43.01 C +ATOM 2773 O GLY B 3 45.068 -2.736 -31.161 1.00 42.84 O +ATOM 2774 N THR B 4 45.034 -0.763 -30.101 1.00 41.93 N +ATOM 2775 CA THR B 4 44.330 -0.069 -31.174 1.00 40.62 C +ATOM 2776 C THR B 4 45.116 1.187 -31.482 1.00 41.34 C +ATOM 2777 O THR B 4 45.115 2.112 -30.704 1.00 42.60 O +ATOM 2778 CB THR B 4 42.887 0.322 -30.775 1.00 39.34 C +ATOM 2779 OG1 THR B 4 42.145 -0.845 -30.412 1.00 39.23 O +ATOM 2780 CG2 THR B 4 42.179 0.982 -31.932 1.00 38.47 C +ATOM 2781 N GLU B 5 45.800 1.218 -32.609 1.00 42.39 N +ATOM 2782 CA GLU B 5 46.589 2.384 -32.970 1.00 43.77 C +ATOM 2783 C GLU B 5 45.788 3.381 -33.791 1.00 43.93 C +ATOM 2784 O GLU B 5 44.992 3.009 -34.623 1.00 44.57 O +ATOM 2785 CB GLU B 5 47.825 1.935 -33.749 1.00 45.01 C +ATOM 2786 CG GLU B 5 48.441 2.996 -34.633 1.00 46.99 C +ATOM 2787 CD GLU B 5 49.674 2.487 -35.357 1.00 48.71 C +ATOM 2788 OE1 GLU B 5 49.723 1.264 -35.658 1.00 49.94 O +ATOM 2789 OE2 GLU B 5 50.578 3.314 -35.635 1.00 49.61 O +ATOM 2790 N GLY B 6 46.001 4.657 -33.526 1.00 44.76 N +ATOM 2791 CA GLY B 6 45.329 5.699 -34.272 1.00 44.97 C +ATOM 2792 C GLY B 6 46.483 6.460 -34.871 1.00 45.56 C +ATOM 2793 O GLY B 6 47.630 6.129 -34.609 1.00 45.89 O +ATOM 2794 N PRO B 7 46.234 7.477 -35.686 1.00 46.27 N +ATOM 2795 CA PRO B 7 47.377 8.208 -36.259 1.00 47.46 C +ATOM 2796 C PRO B 7 47.968 9.120 -35.213 1.00 48.41 C +ATOM 2797 O PRO B 7 49.061 9.684 -35.371 1.00 49.15 O +ATOM 2798 CB PRO B 7 46.732 9.003 -37.387 1.00 47.57 C +ATOM 2799 CG PRO B 7 45.359 9.316 -36.811 1.00 47.56 C +ATOM 2800 CD PRO B 7 44.950 7.991 -36.193 1.00 47.05 C +ATOM 2801 N ASN B 8 47.234 9.202 -34.116 1.00 48.78 N +ATOM 2802 CA ASN B 8 47.531 10.092 -33.024 1.00 48.01 C +ATOM 2803 C ASN B 8 47.774 9.399 -31.690 1.00 48.03 C +ATOM 2804 O ASN B 8 48.218 10.070 -30.749 1.00 48.54 O +ATOM 2805 CB ASN B 8 46.319 10.981 -32.870 1.00 48.23 C +ATOM 2806 CG ASN B 8 46.692 12.350 -32.579 1.00 50.78 C +ATOM 2807 OD1 ASN B 8 45.848 13.197 -32.284 1.00 52.60 O +ATOM 2808 ND2 ASN B 8 47.995 12.613 -32.664 1.00 53.52 N +ATOM 2809 N PHE B 9 47.496 8.097 -31.587 1.00 46.66 N +ATOM 2810 CA PHE B 9 47.592 7.407 -30.298 1.00 45.16 C +ATOM 2811 C PHE B 9 47.815 5.921 -30.442 1.00 44.61 C +ATOM 2812 O PHE B 9 48.139 5.424 -31.516 1.00 45.82 O +ATOM 2813 CB PHE B 9 46.269 7.595 -29.544 1.00 44.66 C +ATOM 2814 CG PHE B 9 45.049 7.307 -30.395 1.00 43.88 C +ATOM 2815 CD1 PHE B 9 44.483 8.304 -31.191 1.00 43.58 C +ATOM 2816 CD2 PHE B 9 44.523 6.019 -30.473 1.00 43.73 C +ATOM 2817 CE1 PHE B 9 43.427 8.023 -32.049 1.00 42.27 C +ATOM 2818 CE2 PHE B 9 43.461 5.726 -31.334 1.00 42.24 C +ATOM 2819 CZ PHE B 9 42.916 6.734 -32.124 1.00 42.60 C +ATOM 2820 N TYR B 10 47.628 5.225 -29.323 1.00 42.90 N +ATOM 2821 CA TYR B 10 47.722 3.780 -29.251 1.00 40.77 C +ATOM 2822 C TYR B 10 47.003 3.349 -27.979 1.00 40.14 C +ATOM 2823 O TYR B 10 47.563 3.431 -26.900 1.00 39.21 O +ATOM 2824 CB TYR B 10 49.185 3.308 -29.237 1.00 40.35 C +ATOM 2825 CG TYR B 10 49.331 1.791 -29.282 1.00 40.50 C +ATOM 2826 CD1 TYR B 10 49.329 1.101 -30.487 1.00 40.10 C +ATOM 2827 CD2 TYR B 10 49.408 1.045 -28.109 1.00 39.85 C +ATOM 2828 CE1 TYR B 10 49.395 -0.307 -30.517 1.00 40.37 C +ATOM 2829 CE2 TYR B 10 49.471 -0.350 -28.133 1.00 40.07 C +ATOM 2830 CZ TYR B 10 49.463 -1.027 -29.337 1.00 40.23 C +ATOM 2831 OH TYR B 10 49.512 -2.413 -29.345 1.00 41.12 O +ATOM 2832 N VAL B 11 45.748 2.931 -28.106 1.00 39.61 N +ATOM 2833 CA VAL B 11 44.980 2.475 -26.954 1.00 38.64 C +ATOM 2834 C VAL B 11 45.362 1.013 -26.663 1.00 39.19 C +ATOM 2835 O VAL B 11 45.189 0.159 -27.525 1.00 39.30 O +ATOM 2836 CB VAL B 11 43.434 2.590 -27.216 1.00 37.96 C +ATOM 2837 CG1 VAL B 11 42.649 2.247 -25.955 1.00 36.57 C +ATOM 2838 CG2 VAL B 11 43.082 3.998 -27.653 1.00 36.75 C +ATOM 2839 N PRO B 12 45.909 0.722 -25.458 1.00 39.49 N +ATOM 2840 CA PRO B 12 46.301 -0.640 -25.090 1.00 38.85 C +ATOM 2841 C PRO B 12 45.042 -1.424 -24.825 1.00 38.88 C +ATOM 2842 O PRO B 12 44.899 -2.021 -23.767 1.00 37.90 O +ATOM 2843 CB PRO B 12 47.120 -0.426 -23.831 1.00 38.40 C +ATOM 2844 CG PRO B 12 46.359 0.663 -23.162 1.00 39.06 C +ATOM 2845 CD PRO B 12 46.094 1.629 -24.309 1.00 38.83 C +ATOM 2846 N PHE B 13 44.130 -1.385 -25.797 1.00 39.62 N +ATOM 2847 CA PHE B 13 42.852 -2.084 -25.739 1.00 40.01 C +ATOM 2848 C PHE B 13 42.453 -2.512 -27.159 1.00 41.25 C +ATOM 2849 O PHE B 13 42.614 -1.733 -28.095 1.00 41.71 O +ATOM 2850 CB PHE B 13 41.787 -1.165 -25.153 1.00 39.08 C +ATOM 2851 CG PHE B 13 40.599 -1.896 -24.639 1.00 38.35 C +ATOM 2852 CD1 PHE B 13 40.638 -2.513 -23.395 1.00 37.86 C +ATOM 2853 CD2 PHE B 13 39.448 -2.001 -25.408 1.00 38.68 C +ATOM 2854 CE1 PHE B 13 39.546 -3.226 -22.921 1.00 37.53 C +ATOM 2855 CE2 PHE B 13 38.349 -2.711 -24.945 1.00 38.65 C +ATOM 2856 CZ PHE B 13 38.399 -3.325 -23.695 1.00 37.89 C +ATOM 2857 N SER B 14 41.937 -3.732 -27.318 1.00 42.40 N +ATOM 2858 CA SER B 14 41.551 -4.239 -28.637 1.00 43.39 C +ATOM 2859 C SER B 14 40.238 -3.677 -29.083 1.00 44.66 C +ATOM 2860 O SER B 14 39.319 -3.513 -28.271 1.00 45.13 O +ATOM 2861 CB SER B 14 41.440 -5.755 -28.623 1.00 43.36 C +ATOM 2862 OG SER B 14 40.789 -6.211 -29.791 1.00 45.23 O +ATOM 2863 N ASN B 15 40.134 -3.397 -30.378 1.00 45.81 N +ATOM 2864 CA ASN B 15 38.901 -2.862 -30.902 1.00 47.21 C +ATOM 2865 C ASN B 15 38.100 -3.949 -31.551 1.00 47.99 C +ATOM 2866 O ASN B 15 37.330 -3.679 -32.483 1.00 48.39 O +ATOM 2867 CB ASN B 15 39.156 -1.744 -31.899 1.00 47.39 C +ATOM 2868 CG ASN B 15 37.972 -0.808 -32.004 1.00 48.61 C +ATOM 2869 OD1 ASN B 15 37.195 -0.682 -31.063 1.00 47.72 O +ATOM 2870 ND2 ASN B 15 37.818 -0.129 -33.126 1.00 50.07 N +ATOM 2871 N LYS B 16 38.273 -5.176 -31.057 1.00 48.58 N +ATOM 2872 CA LYS B 16 37.541 -6.331 -31.572 1.00 49.31 C +ATOM 2873 C LYS B 16 36.061 -6.057 -31.447 1.00 48.29 C +ATOM 2874 O LYS B 16 35.282 -6.370 -32.359 1.00 48.62 O +ATOM 2875 CB LYS B 16 37.886 -7.602 -30.773 1.00 52.09 C +ATOM 2876 CG LYS B 16 37.163 -8.852 -31.303 1.00 56.52 C +ATOM 2877 CD LYS B 16 37.707 -10.170 -30.744 1.00 59.62 C +ATOM 2878 CE LYS B 16 37.041 -11.376 -31.447 1.00 60.90 C +ATOM 2879 NZ LYS B 16 37.572 -12.709 -30.998 1.00 62.11 N +ATOM 2880 N THR B 17 35.684 -5.461 -30.318 1.00 47.47 N +ATOM 2881 CA THR B 17 34.295 -5.135 -30.025 1.00 46.13 C +ATOM 2882 C THR B 17 33.904 -3.772 -30.580 1.00 46.17 C +ATOM 2883 O THR B 17 32.765 -3.383 -30.414 1.00 46.15 O +ATOM 2884 CB THR B 17 34.058 -5.160 -28.500 1.00 45.84 C +ATOM 2885 OG1 THR B 17 34.778 -4.091 -27.881 1.00 46.53 O +ATOM 2886 CG2 THR B 17 34.589 -6.455 -27.913 1.00 44.55 C +ATOM 2887 N GLY B 18 34.832 -3.061 -31.227 1.00 46.65 N +ATOM 2888 CA GLY B 18 34.538 -1.742 -31.787 1.00 47.08 C +ATOM 2889 C GLY B 18 34.239 -0.624 -30.783 1.00 47.25 C +ATOM 2890 O GLY B 18 33.796 0.467 -31.146 1.00 47.18 O +ATOM 2891 N VAL B 19 34.534 -0.886 -29.518 1.00 47.62 N +ATOM 2892 CA VAL B 19 34.265 0.047 -28.435 1.00 47.26 C +ATOM 2893 C VAL B 19 35.420 1.062 -28.185 1.00 47.15 C +ATOM 2894 O VAL B 19 35.251 1.986 -27.390 1.00 48.28 O +ATOM 2895 CB VAL B 19 33.946 -0.774 -27.143 1.00 47.32 C +ATOM 2896 CG1 VAL B 19 35.242 -1.232 -26.453 1.00 47.41 C +ATOM 2897 CG2 VAL B 19 33.070 0.022 -26.227 1.00 48.04 C +ATOM 2898 N VAL B 20 36.558 0.915 -28.848 1.00 46.33 N +ATOM 2899 CA VAL B 20 37.665 1.835 -28.618 1.00 46.16 C +ATOM 2900 C VAL B 20 37.430 3.148 -29.351 1.00 47.56 C +ATOM 2901 O VAL B 20 36.876 3.135 -30.450 1.00 49.46 O +ATOM 2902 CB VAL B 20 39.007 1.205 -29.084 1.00 44.89 C +ATOM 2903 CG1 VAL B 20 40.168 2.149 -28.822 1.00 44.44 C +ATOM 2904 CG2 VAL B 20 39.235 -0.095 -28.353 1.00 44.89 C +ATOM 2905 N ARG B 21 37.832 4.272 -28.747 1.00 47.61 N +ATOM 2906 CA ARG B 21 37.682 5.593 -29.369 1.00 47.90 C +ATOM 2907 C ARG B 21 38.786 6.529 -28.928 1.00 46.54 C +ATOM 2908 O ARG B 21 39.209 6.456 -27.796 1.00 47.04 O +ATOM 2909 CB ARG B 21 36.301 6.148 -29.062 1.00 50.65 C +ATOM 2910 CG ARG B 21 35.247 5.331 -29.803 1.00 55.89 C +ATOM 2911 CD ARG B 21 33.868 5.829 -29.576 1.00 61.47 C +ATOM 2912 NE ARG B 21 33.655 7.124 -30.219 1.00 66.90 N +ATOM 2913 CZ ARG B 21 32.672 7.965 -29.885 1.00 69.36 C +ATOM 2914 NH1 ARG B 21 31.819 7.642 -28.910 1.00 70.35 N +ATOM 2915 NH2 ARG B 21 32.525 9.126 -30.524 1.00 70.87 N +ATOM 2916 N SER B 22 39.247 7.401 -29.822 1.00 45.33 N +ATOM 2917 CA SER B 22 40.367 8.330 -29.565 1.00 44.76 C +ATOM 2918 C SER B 22 40.396 8.912 -28.156 1.00 44.56 C +ATOM 2919 O SER B 22 39.376 9.418 -27.683 1.00 45.34 O +ATOM 2920 CB SER B 22 40.347 9.482 -30.576 1.00 44.39 C +ATOM 2921 OG SER B 22 41.476 10.327 -30.428 1.00 45.32 O +ATOM 2922 N PRO B 23 41.561 8.859 -27.466 1.00 43.81 N +ATOM 2923 CA PRO B 23 41.617 9.424 -26.107 1.00 42.69 C +ATOM 2924 C PRO B 23 41.545 10.940 -26.210 1.00 42.80 C +ATOM 2925 O PRO B 23 41.570 11.652 -25.196 1.00 43.58 O +ATOM 2926 CB PRO B 23 42.954 8.921 -25.572 1.00 41.96 C +ATOM 2927 CG PRO B 23 43.785 8.827 -26.811 1.00 42.07 C +ATOM 2928 CD PRO B 23 42.846 8.233 -27.831 1.00 42.30 C +ATOM 2929 N PHE B 24 41.442 11.418 -27.449 1.00 42.16 N +ATOM 2930 CA PHE B 24 41.347 12.836 -27.752 1.00 41.50 C +ATOM 2931 C PHE B 24 39.917 13.220 -28.079 1.00 41.99 C +ATOM 2932 O PHE B 24 39.629 14.392 -28.202 1.00 42.69 O +ATOM 2933 CB PHE B 24 42.232 13.181 -28.952 1.00 40.68 C +ATOM 2934 CG PHE B 24 43.700 13.109 -28.666 1.00 41.17 C +ATOM 2935 CD1 PHE B 24 44.243 13.790 -27.571 1.00 40.93 C +ATOM 2936 CD2 PHE B 24 44.545 12.342 -29.467 1.00 41.77 C +ATOM 2937 CE1 PHE B 24 45.611 13.705 -27.272 1.00 40.55 C +ATOM 2938 CE2 PHE B 24 45.921 12.249 -29.177 1.00 41.74 C +ATOM 2939 CZ PHE B 24 46.450 12.934 -28.074 1.00 40.75 C +ATOM 2940 N GLU B 25 39.016 12.257 -28.195 1.00 42.22 N +ATOM 2941 CA GLU B 25 37.653 12.593 -28.576 1.00 43.24 C +ATOM 2942 C GLU B 25 36.594 12.042 -27.667 1.00 42.62 C +ATOM 2943 O GLU B 25 35.450 12.418 -27.821 1.00 43.23 O +ATOM 2944 CB GLU B 25 37.387 12.086 -29.998 1.00 45.27 C +ATOM 2945 CG GLU B 25 38.188 12.797 -31.089 1.00 49.65 C +ATOM 2946 CD GLU B 25 38.182 12.072 -32.449 1.00 52.01 C +ATOM 2947 OE1 GLU B 25 37.091 11.829 -33.031 1.00 52.36 O +ATOM 2948 OE2 GLU B 25 39.296 11.756 -32.944 1.00 53.31 O +ATOM 2949 N ALA B 26 36.919 11.162 -26.739 1.00 41.69 N +ATOM 2950 CA ALA B 26 35.850 10.640 -25.911 1.00 41.37 C +ATOM 2951 C ALA B 26 36.392 9.820 -24.767 1.00 41.61 C +ATOM 2952 O ALA B 26 37.473 9.250 -24.874 1.00 42.31 O +ATOM 2953 CB ALA B 26 34.919 9.804 -26.770 1.00 39.56 C +ATOM 2954 N PRO B 27 35.642 9.744 -23.653 1.00 41.38 N +ATOM 2955 CA PRO B 27 36.005 8.996 -22.443 1.00 41.23 C +ATOM 2956 C PRO B 27 36.517 7.582 -22.697 1.00 40.85 C +ATOM 2957 O PRO B 27 36.071 6.925 -23.639 1.00 40.77 O +ATOM 2958 CB PRO B 27 34.711 9.014 -21.636 1.00 40.89 C +ATOM 2959 CG PRO B 27 34.145 10.309 -21.987 1.00 41.59 C +ATOM 2960 CD PRO B 27 34.337 10.396 -23.478 1.00 41.35 C +ATOM 2961 N GLN B 28 37.429 7.123 -21.841 1.00 40.17 N +ATOM 2962 CA GLN B 28 38.027 5.797 -21.960 1.00 40.21 C +ATOM 2963 C GLN B 28 37.519 4.909 -20.863 1.00 41.04 C +ATOM 2964 O GLN B 28 38.254 4.034 -20.393 1.00 40.68 O +ATOM 2965 CB GLN B 28 39.535 5.922 -21.845 1.00 39.59 C +ATOM 2966 CG GLN B 28 40.088 6.914 -22.815 1.00 39.46 C +ATOM 2967 CD GLN B 28 39.907 6.453 -24.238 1.00 40.14 C +ATOM 2968 OE1 GLN B 28 40.504 5.464 -24.653 1.00 40.90 O +ATOM 2969 NE2 GLN B 28 39.074 7.158 -24.994 1.00 40.38 N +ATOM 2970 N TYR B 29 36.268 5.127 -20.471 1.00 41.90 N +ATOM 2971 CA TYR B 29 35.651 4.376 -19.384 1.00 42.94 C +ATOM 2972 C TYR B 29 35.536 2.921 -19.710 1.00 42.99 C +ATOM 2973 O TYR B 29 35.347 2.115 -18.811 1.00 43.67 O +ATOM 2974 CB TYR B 29 34.284 4.983 -19.030 1.00 43.59 C +ATOM 2975 CG TYR B 29 34.412 6.394 -18.471 1.00 44.98 C +ATOM 2976 CD1 TYR B 29 35.405 6.700 -17.534 1.00 46.71 C +ATOM 2977 CD2 TYR B 29 33.578 7.430 -18.891 1.00 45.23 C +ATOM 2978 CE1 TYR B 29 35.572 8.012 -17.028 1.00 47.56 C +ATOM 2979 CE2 TYR B 29 33.738 8.750 -18.388 1.00 46.21 C +ATOM 2980 CZ TYR B 29 34.740 9.028 -17.459 1.00 46.96 C +ATOM 2981 OH TYR B 29 34.944 10.309 -16.970 1.00 48.27 O +ATOM 2982 N TYR B 30 35.669 2.577 -20.982 1.00 42.61 N +ATOM 2983 CA TYR B 30 35.598 1.184 -21.394 1.00 42.30 C +ATOM 2984 C TYR B 30 36.966 0.520 -21.186 1.00 42.97 C +ATOM 2985 O TYR B 30 37.133 -0.635 -21.532 1.00 43.25 O +ATOM 2986 CB TYR B 30 35.181 1.119 -22.860 1.00 41.22 C +ATOM 2987 CG TYR B 30 36.173 1.788 -23.767 1.00 39.66 C +ATOM 2988 CD1 TYR B 30 37.324 1.125 -24.160 1.00 39.92 C +ATOM 2989 CD2 TYR B 30 36.011 3.115 -24.150 1.00 39.34 C +ATOM 2990 CE1 TYR B 30 38.282 1.755 -24.893 1.00 39.75 C +ATOM 2991 CE2 TYR B 30 36.971 3.758 -24.889 1.00 38.31 C +ATOM 2992 CZ TYR B 30 38.103 3.070 -25.249 1.00 39.90 C +ATOM 2993 OH TYR B 30 39.102 3.687 -25.943 1.00 42.94 O +ATOM 2994 N LEU B 31 37.927 1.262 -20.635 1.00 43.60 N +ATOM 2995 CA LEU B 31 39.275 0.763 -20.348 1.00 43.43 C +ATOM 2996 C LEU B 31 39.352 0.402 -18.897 1.00 43.94 C +ATOM 2997 O LEU B 31 40.087 -0.496 -18.503 1.00 43.85 O +ATOM 2998 CB LEU B 31 40.314 1.851 -20.564 1.00 42.47 C +ATOM 2999 CG LEU B 31 40.696 2.241 -21.965 1.00 41.56 C +ATOM 3000 CD1 LEU B 31 41.856 3.182 -21.872 1.00 42.78 C +ATOM 3001 CD2 LEU B 31 41.081 1.009 -22.745 1.00 43.53 C +ATOM 3002 N ALA B 32 38.612 1.154 -18.097 1.00 45.41 N +ATOM 3003 CA ALA B 32 38.586 0.965 -16.665 1.00 47.41 C +ATOM 3004 C ALA B 32 37.346 1.629 -16.116 1.00 49.15 C +ATOM 3005 O ALA B 32 36.728 2.477 -16.780 1.00 49.67 O +ATOM 3006 CB ALA B 32 39.837 1.586 -16.034 1.00 47.59 C +ATOM 3007 N GLU B 33 36.994 1.254 -14.895 1.00 50.75 N +ATOM 3008 CA GLU B 33 35.819 1.780 -14.216 1.00 51.75 C +ATOM 3009 C GLU B 33 35.900 3.285 -14.049 1.00 51.01 C +ATOM 3010 O GLU B 33 36.960 3.819 -13.787 1.00 51.25 O +ATOM 3011 CB GLU B 33 35.704 1.149 -12.829 1.00 54.97 C +ATOM 3012 CG GLU B 33 35.954 -0.352 -12.786 1.00 60.12 C +ATOM 3013 CD GLU B 33 35.006 -1.129 -13.684 1.00 62.67 C +ATOM 3014 OE1 GLU B 33 33.775 -1.002 -13.494 1.00 64.69 O +ATOM 3015 OE2 GLU B 33 35.495 -1.865 -14.577 1.00 64.44 O +ATOM 3016 N PRO B 34 34.768 3.984 -14.195 1.00 50.18 N +ATOM 3017 CA PRO B 34 34.717 5.434 -14.043 1.00 49.27 C +ATOM 3018 C PRO B 34 35.178 5.904 -12.664 1.00 49.18 C +ATOM 3019 O PRO B 34 35.717 7.009 -12.526 1.00 50.19 O +ATOM 3020 CB PRO B 34 33.246 5.735 -14.297 1.00 48.50 C +ATOM 3021 CG PRO B 34 32.915 4.767 -15.370 1.00 47.82 C +ATOM 3022 CD PRO B 34 33.540 3.496 -14.846 1.00 49.74 C +ATOM 3023 N TRP B 35 34.970 5.083 -11.643 1.00 48.13 N +ATOM 3024 CA TRP B 35 35.372 5.486 -10.307 1.00 47.13 C +ATOM 3025 C TRP B 35 36.863 5.496 -10.227 1.00 46.28 C +ATOM 3026 O TRP B 35 37.435 6.212 -9.416 1.00 45.90 O +ATOM 3027 CB TRP B 35 34.806 4.536 -9.262 1.00 46.77 C +ATOM 3028 CG TRP B 35 35.382 3.189 -9.311 1.00 47.56 C +ATOM 3029 CD1 TRP B 35 34.865 2.098 -9.941 1.00 47.07 C +ATOM 3030 CD2 TRP B 35 36.604 2.764 -8.702 1.00 48.37 C +ATOM 3031 NE1 TRP B 35 35.690 1.010 -9.763 1.00 47.22 N +ATOM 3032 CE2 TRP B 35 36.766 1.392 -9.005 1.00 48.31 C +ATOM 3033 CE3 TRP B 35 37.581 3.408 -7.930 1.00 49.80 C +ATOM 3034 CZ2 TRP B 35 37.867 0.654 -8.562 1.00 48.78 C +ATOM 3035 CZ3 TRP B 35 38.681 2.671 -7.488 1.00 50.30 C +ATOM 3036 CH2 TRP B 35 38.812 1.310 -7.808 1.00 49.50 C +ATOM 3037 N GLN B 36 37.488 4.698 -11.079 1.00 45.73 N +ATOM 3038 CA GLN B 36 38.938 4.606 -11.111 1.00 46.18 C +ATOM 3039 C GLN B 36 39.529 5.865 -11.693 1.00 45.94 C +ATOM 3040 O GLN B 36 40.677 6.173 -11.425 1.00 45.07 O +ATOM 3041 CB GLN B 36 39.371 3.396 -11.932 1.00 46.68 C +ATOM 3042 CG GLN B 36 38.973 2.086 -11.314 1.00 48.54 C +ATOM 3043 CD GLN B 36 39.405 0.922 -12.148 1.00 49.84 C +ATOM 3044 OE1 GLN B 36 38.914 0.725 -13.258 1.00 50.56 O +ATOM 3045 NE2 GLN B 36 40.345 0.138 -11.626 1.00 51.26 N +ATOM 3046 N PHE B 37 38.764 6.587 -12.505 1.00 46.09 N +ATOM 3047 CA PHE B 37 39.277 7.832 -13.057 1.00 45.29 C +ATOM 3048 C PHE B 37 39.115 8.899 -12.009 1.00 45.18 C +ATOM 3049 O PHE B 37 39.932 9.821 -11.943 1.00 45.65 O +ATOM 3050 CB PHE B 37 38.531 8.228 -14.329 1.00 45.53 C +ATOM 3051 CG PHE B 37 38.842 7.354 -15.497 1.00 44.33 C +ATOM 3052 CD1 PHE B 37 38.246 6.113 -15.629 1.00 45.71 C +ATOM 3053 CD2 PHE B 37 39.747 7.766 -16.455 1.00 43.91 C +ATOM 3054 CE1 PHE B 37 38.548 5.296 -16.704 1.00 46.30 C +ATOM 3055 CE2 PHE B 37 40.058 6.967 -17.530 1.00 44.31 C +ATOM 3056 CZ PHE B 37 39.462 5.732 -17.662 1.00 45.43 C +ATOM 3057 N SER B 38 38.065 8.774 -11.195 1.00 44.72 N +ATOM 3058 CA SER B 38 37.825 9.731 -10.124 1.00 44.20 C +ATOM 3059 C SER B 38 38.928 9.529 -9.108 1.00 43.71 C +ATOM 3060 O SER B 38 39.354 10.457 -8.428 1.00 42.68 O +ATOM 3061 CB SER B 38 36.439 9.500 -9.507 1.00 44.58 C +ATOM 3062 OG SER B 38 35.529 10.487 -9.969 1.00 44.50 O +ATOM 3063 N MET B 39 39.409 8.299 -9.043 1.00 43.23 N +ATOM 3064 CA MET B 39 40.486 7.946 -8.149 1.00 42.90 C +ATOM 3065 C MET B 39 41.765 8.683 -8.587 1.00 42.74 C +ATOM 3066 O MET B 39 42.388 9.371 -7.766 1.00 43.15 O +ATOM 3067 CB MET B 39 40.690 6.444 -8.226 1.00 45.14 C +ATOM 3068 CG MET B 39 41.014 5.814 -6.925 1.00 48.64 C +ATOM 3069 SD MET B 39 39.751 6.262 -5.751 1.00 53.86 S +ATOM 3070 CE MET B 39 40.574 7.645 -4.838 1.00 51.94 C +ATOM 3071 N LEU B 40 42.146 8.541 -9.867 1.00 41.59 N +ATOM 3072 CA LEU B 40 43.350 9.177 -10.445 1.00 39.36 C +ATOM 3073 C LEU B 40 43.265 10.667 -10.282 1.00 39.34 C +ATOM 3074 O LEU B 40 44.268 11.314 -9.974 1.00 38.65 O +ATOM 3075 CB LEU B 40 43.488 8.850 -11.937 1.00 37.38 C +ATOM 3076 CG LEU B 40 43.889 7.431 -12.345 1.00 36.34 C +ATOM 3077 CD1 LEU B 40 43.981 7.341 -13.848 1.00 36.54 C +ATOM 3078 CD2 LEU B 40 45.212 7.061 -11.733 1.00 35.06 C +ATOM 3079 N ALA B 41 42.064 11.195 -10.498 1.00 39.36 N +ATOM 3080 CA ALA B 41 41.783 12.617 -10.367 1.00 40.25 C +ATOM 3081 C ALA B 41 42.011 13.088 -8.902 1.00 41.35 C +ATOM 3082 O ALA B 41 42.570 14.180 -8.696 1.00 41.99 O +ATOM 3083 CB ALA B 41 40.336 12.888 -10.814 1.00 39.21 C +ATOM 3084 N ALA B 42 41.587 12.294 -7.908 1.00 41.08 N +ATOM 3085 CA ALA B 42 41.764 12.651 -6.496 1.00 40.37 C +ATOM 3086 C ALA B 42 43.238 12.744 -6.187 1.00 40.64 C +ATOM 3087 O ALA B 42 43.673 13.675 -5.526 1.00 40.61 O +ATOM 3088 CB ALA B 42 41.125 11.605 -5.601 1.00 39.91 C +ATOM 3089 N TYR B 43 43.994 11.766 -6.672 1.00 40.15 N +ATOM 3090 CA TYR B 43 45.432 11.677 -6.473 1.00 38.96 C +ATOM 3091 C TYR B 43 46.157 12.917 -6.989 1.00 39.07 C +ATOM 3092 O TYR B 43 47.014 13.462 -6.291 1.00 38.59 O +ATOM 3093 CB TYR B 43 45.921 10.445 -7.205 1.00 39.06 C +ATOM 3094 CG TYR B 43 47.406 10.294 -7.288 1.00 38.36 C +ATOM 3095 CD1 TYR B 43 48.155 9.981 -6.164 1.00 38.81 C +ATOM 3096 CD2 TYR B 43 48.056 10.379 -8.513 1.00 38.71 C +ATOM 3097 CE1 TYR B 43 49.516 9.740 -6.261 1.00 39.17 C +ATOM 3098 CE2 TYR B 43 49.415 10.142 -8.626 1.00 37.73 C +ATOM 3099 CZ TYR B 43 50.137 9.816 -7.500 1.00 38.73 C +ATOM 3100 OH TYR B 43 51.469 9.516 -7.614 1.00 40.04 O +ATOM 3101 N MET B 44 45.824 13.346 -8.203 1.00 39.05 N +ATOM 3102 CA MET B 44 46.449 14.517 -8.820 1.00 39.67 C +ATOM 3103 C MET B 44 46.070 15.790 -8.094 1.00 40.87 C +ATOM 3104 O MET B 44 46.892 16.715 -7.994 1.00 41.35 O +ATOM 3105 CB MET B 44 46.048 14.634 -10.289 1.00 37.71 C +ATOM 3106 CG MET B 44 46.535 13.491 -11.151 1.00 36.84 C +ATOM 3107 SD MET B 44 48.292 13.245 -10.978 1.00 37.28 S +ATOM 3108 CE MET B 44 48.931 14.860 -11.464 1.00 35.45 C +ATOM 3109 N PHE B 45 44.833 15.858 -7.618 1.00 41.35 N +ATOM 3110 CA PHE B 45 44.388 17.018 -6.880 1.00 42.04 C +ATOM 3111 C PHE B 45 45.276 17.170 -5.655 1.00 42.39 C +ATOM 3112 O PHE B 45 45.757 18.265 -5.365 1.00 42.19 O +ATOM 3113 CB PHE B 45 42.949 16.828 -6.448 1.00 41.96 C +ATOM 3114 CG PHE B 45 42.478 17.870 -5.500 1.00 42.20 C +ATOM 3115 CD1 PHE B 45 42.369 19.195 -5.909 1.00 41.39 C +ATOM 3116 CD2 PHE B 45 42.130 17.531 -4.194 1.00 42.56 C +ATOM 3117 CE1 PHE B 45 41.914 20.178 -5.029 1.00 42.73 C +ATOM 3118 CE2 PHE B 45 41.671 18.504 -3.304 1.00 43.64 C +ATOM 3119 CZ PHE B 45 41.561 19.835 -3.723 1.00 43.10 C +ATOM 3120 N LEU B 46 45.483 16.065 -4.942 1.00 42.91 N +ATOM 3121 CA LEU B 46 46.333 16.057 -3.756 1.00 42.77 C +ATOM 3122 C LEU B 46 47.732 16.488 -4.151 1.00 43.04 C +ATOM 3123 O LEU B 46 48.341 17.321 -3.460 1.00 43.09 O +ATOM 3124 CB LEU B 46 46.390 14.659 -3.133 1.00 41.11 C +ATOM 3125 CG LEU B 46 45.116 14.202 -2.433 1.00 41.45 C +ATOM 3126 CD1 LEU B 46 45.346 12.847 -1.813 1.00 42.19 C +ATOM 3127 CD2 LEU B 46 44.720 15.201 -1.375 1.00 41.16 C +ATOM 3128 N LEU B 47 48.239 15.937 -5.255 1.00 43.23 N +ATOM 3129 CA LEU B 47 49.576 16.277 -5.724 1.00 42.81 C +ATOM 3130 C LEU B 47 49.696 17.774 -5.983 1.00 43.15 C +ATOM 3131 O LEU B 47 50.726 18.367 -5.657 1.00 43.54 O +ATOM 3132 CB LEU B 47 49.918 15.481 -6.985 1.00 42.06 C +ATOM 3133 CG LEU B 47 50.426 14.060 -6.732 1.00 41.99 C +ATOM 3134 CD1 LEU B 47 50.854 13.418 -8.031 1.00 42.68 C +ATOM 3135 CD2 LEU B 47 51.610 14.101 -5.801 1.00 42.60 C +ATOM 3136 N ILE B 48 48.652 18.380 -6.541 1.00 42.93 N +ATOM 3137 CA ILE B 48 48.662 19.802 -6.817 1.00 42.98 C +ATOM 3138 C ILE B 48 48.563 20.610 -5.538 1.00 43.81 C +ATOM 3139 O ILE B 48 49.254 21.611 -5.426 1.00 43.68 O +ATOM 3140 CB ILE B 48 47.507 20.184 -7.746 1.00 42.89 C +ATOM 3141 CG1 ILE B 48 47.731 19.550 -9.113 1.00 42.89 C +ATOM 3142 CG2 ILE B 48 47.407 21.688 -7.879 1.00 42.38 C +ATOM 3143 CD1 ILE B 48 46.575 19.755 -10.039 1.00 43.72 C +ATOM 3144 N MET B 49 47.739 20.186 -4.578 1.00 44.57 N +ATOM 3145 CA MET B 49 47.563 20.941 -3.326 1.00 45.31 C +ATOM 3146 C MET B 49 48.722 20.775 -2.339 1.00 45.70 C +ATOM 3147 O MET B 49 48.780 21.489 -1.326 1.00 45.63 O +ATOM 3148 CB MET B 49 46.235 20.567 -2.652 1.00 46.29 C +ATOM 3149 CG MET B 49 45.005 21.068 -3.396 1.00 46.58 C +ATOM 3150 SD MET B 49 44.994 22.855 -3.716 1.00 48.47 S +ATOM 3151 CE MET B 49 44.149 23.469 -2.284 1.00 46.13 C +ATOM 3152 N LEU B 50 49.632 19.850 -2.609 1.00 46.74 N +ATOM 3153 CA LEU B 50 50.774 19.678 -1.729 1.00 47.55 C +ATOM 3154 C LEU B 50 51.995 20.199 -2.437 1.00 47.95 C +ATOM 3155 O LEU B 50 52.706 21.047 -1.908 1.00 48.47 O +ATOM 3156 CB LEU B 50 50.982 18.210 -1.384 1.00 49.71 C +ATOM 3157 CG LEU B 50 51.615 17.931 -0.008 1.00 52.05 C +ATOM 3158 CD1 LEU B 50 51.983 16.468 0.039 1.00 52.66 C +ATOM 3159 CD2 LEU B 50 52.859 18.796 0.253 1.00 51.95 C +ATOM 3160 N GLY B 51 52.234 19.693 -3.640 1.00 47.64 N +ATOM 3161 CA GLY B 51 53.382 20.124 -4.409 1.00 47.32 C +ATOM 3162 C GLY B 51 53.490 21.622 -4.616 1.00 47.06 C +ATOM 3163 O GLY B 51 54.579 22.148 -4.838 1.00 46.60 O +ATOM 3164 N PHE B 52 52.369 22.324 -4.549 1.00 47.03 N +ATOM 3165 CA PHE B 52 52.417 23.761 -4.741 1.00 48.84 C +ATOM 3166 C PHE B 52 52.917 24.471 -3.481 1.00 49.34 C +ATOM 3167 O PHE B 52 53.964 25.112 -3.525 1.00 50.29 O +ATOM 3168 CB PHE B 52 51.044 24.288 -5.172 1.00 49.77 C +ATOM 3169 CG PHE B 52 50.901 25.767 -5.029 1.00 51.70 C +ATOM 3170 CD1 PHE B 52 51.949 26.618 -5.393 1.00 53.06 C +ATOM 3171 CD2 PHE B 52 49.732 26.318 -4.502 1.00 52.60 C +ATOM 3172 CE1 PHE B 52 51.841 28.003 -5.227 1.00 54.03 C +ATOM 3173 CE2 PHE B 52 49.603 27.696 -4.330 1.00 53.72 C +ATOM 3174 CZ PHE B 52 50.663 28.544 -4.691 1.00 53.80 C +ATOM 3175 N PRO B 53 52.199 24.368 -2.350 1.00 49.21 N +ATOM 3176 CA PRO B 53 52.738 25.072 -1.190 1.00 48.96 C +ATOM 3177 C PRO B 53 54.140 24.670 -0.838 1.00 49.14 C +ATOM 3178 O PRO B 53 54.945 25.519 -0.485 1.00 49.56 O +ATOM 3179 CB PRO B 53 51.743 24.726 -0.084 1.00 48.46 C +ATOM 3180 CG PRO B 53 51.215 23.414 -0.499 1.00 48.91 C +ATOM 3181 CD PRO B 53 51.007 23.594 -1.974 1.00 48.96 C +ATOM 3182 N ILE B 54 54.448 23.391 -0.987 1.00 49.23 N +ATOM 3183 CA ILE B 54 55.757 22.868 -0.613 1.00 50.03 C +ATOM 3184 C ILE B 54 56.928 23.299 -1.510 1.00 50.16 C +ATOM 3185 O ILE B 54 58.026 23.421 -1.006 1.00 49.97 O +ATOM 3186 CB ILE B 54 55.715 21.325 -0.519 1.00 50.28 C +ATOM 3187 CG1 ILE B 54 56.746 20.835 0.493 1.00 50.58 C +ATOM 3188 CG2 ILE B 54 56.020 20.711 -1.864 1.00 51.73 C +ATOM 3189 CD1 ILE B 54 56.795 19.328 0.629 1.00 52.30 C +ATOM 3190 N ASN B 55 56.734 23.505 -2.808 1.00 50.66 N +ATOM 3191 CA ASN B 55 57.854 23.917 -3.659 1.00 50.45 C +ATOM 3192 C ASN B 55 57.903 25.410 -3.699 1.00 51.56 C +ATOM 3193 O ASN B 55 58.945 26.001 -3.959 1.00 51.71 O +ATOM 3194 CB ASN B 55 57.695 23.367 -5.073 1.00 49.04 C +ATOM 3195 CG ASN B 55 58.004 21.889 -5.150 1.00 48.76 C +ATOM 3196 OD1 ASN B 55 59.137 21.468 -4.919 1.00 48.50 O +ATOM 3197 ND2 ASN B 55 56.992 21.086 -5.462 1.00 47.72 N +ATOM 3198 N PHE B 56 56.762 26.029 -3.444 1.00 52.45 N +ATOM 3199 CA PHE B 56 56.714 27.465 -3.435 1.00 53.62 C +ATOM 3200 C PHE B 56 57.389 27.943 -2.195 1.00 54.30 C +ATOM 3201 O PHE B 56 58.214 28.842 -2.251 1.00 55.05 O +ATOM 3202 CB PHE B 56 55.291 27.974 -3.407 1.00 54.17 C +ATOM 3203 CG PHE B 56 55.225 29.445 -3.285 1.00 54.98 C +ATOM 3204 CD1 PHE B 56 55.487 30.249 -4.391 1.00 55.75 C +ATOM 3205 CD2 PHE B 56 55.018 30.041 -2.051 1.00 55.86 C +ATOM 3206 CE1 PHE B 56 55.550 31.631 -4.276 1.00 55.96 C +ATOM 3207 CE2 PHE B 56 55.080 31.427 -1.923 1.00 56.21 C +ATOM 3208 CZ PHE B 56 55.349 32.223 -3.043 1.00 56.34 C +ATOM 3209 N LEU B 57 57.005 27.353 -1.068 1.00 54.17 N +ATOM 3210 CA LEU B 57 57.573 27.714 0.213 1.00 54.23 C +ATOM 3211 C LEU B 57 59.060 27.494 0.178 1.00 54.61 C +ATOM 3212 O LEU B 57 59.787 28.269 0.765 1.00 55.37 O +ATOM 3213 CB LEU B 57 56.931 26.892 1.331 1.00 54.20 C +ATOM 3214 CG LEU B 57 57.273 27.218 2.798 1.00 53.76 C +ATOM 3215 CD1 LEU B 57 58.627 26.647 3.139 1.00 53.33 C +ATOM 3216 CD2 LEU B 57 57.229 28.733 3.052 1.00 53.64 C +ATOM 3217 N THR B 58 59.516 26.446 -0.497 1.00 55.23 N +ATOM 3218 CA THR B 58 60.958 26.171 -0.617 1.00 56.12 C +ATOM 3219 C THR B 58 61.610 27.353 -1.329 1.00 57.16 C +ATOM 3220 O THR B 58 62.557 27.968 -0.835 1.00 57.20 O +ATOM 3221 CB THR B 58 61.228 24.913 -1.485 1.00 55.99 C +ATOM 3222 OG1 THR B 58 60.665 23.758 -0.856 1.00 56.23 O +ATOM 3223 CG2 THR B 58 62.722 24.709 -1.691 1.00 55.24 C +ATOM 3224 N LEU B 59 61.084 27.638 -2.512 1.00 58.55 N +ATOM 3225 CA LEU B 59 61.533 28.727 -3.351 1.00 59.47 C +ATOM 3226 C LEU B 59 61.613 30.034 -2.550 1.00 59.66 C +ATOM 3227 O LEU B 59 62.641 30.707 -2.573 1.00 59.82 O +ATOM 3228 CB LEU B 59 60.545 28.839 -4.512 1.00 60.35 C +ATOM 3229 CG LEU B 59 60.359 30.158 -5.238 1.00 61.23 C +ATOM 3230 CD1 LEU B 59 61.696 30.667 -5.709 1.00 62.22 C +ATOM 3231 CD2 LEU B 59 59.420 29.939 -6.408 1.00 61.11 C +ATOM 3232 N TYR B 60 60.546 30.353 -1.826 1.00 59.48 N +ATOM 3233 CA TYR B 60 60.436 31.573 -1.037 1.00 59.22 C +ATOM 3234 C TYR B 60 61.444 31.677 0.109 1.00 59.77 C +ATOM 3235 O TYR B 60 61.977 32.759 0.352 1.00 60.43 O +ATOM 3236 CB TYR B 60 59.020 31.670 -0.497 1.00 58.72 C +ATOM 3237 CG TYR B 60 58.740 32.916 0.277 1.00 58.58 C +ATOM 3238 CD1 TYR B 60 59.324 33.129 1.521 1.00 59.28 C +ATOM 3239 CD2 TYR B 60 57.869 33.874 -0.220 1.00 58.38 C +ATOM 3240 CE1 TYR B 60 59.045 34.261 2.257 1.00 60.45 C +ATOM 3241 CE2 TYR B 60 57.574 35.012 0.501 1.00 60.11 C +ATOM 3242 CZ TYR B 60 58.164 35.206 1.747 1.00 60.89 C +ATOM 3243 OH TYR B 60 57.856 36.335 2.493 1.00 61.41 O +ATOM 3244 N VAL B 61 61.699 30.594 0.829 1.00 60.06 N +ATOM 3245 CA VAL B 61 62.654 30.643 1.945 1.00 59.96 C +ATOM 3246 C VAL B 61 64.049 30.949 1.441 1.00 60.33 C +ATOM 3247 O VAL B 61 64.681 31.875 1.943 1.00 60.77 O +ATOM 3248 CB VAL B 61 62.680 29.298 2.727 1.00 59.73 C +ATOM 3249 CG1 VAL B 61 63.892 29.227 3.660 1.00 58.73 C +ATOM 3250 CG2 VAL B 61 61.394 29.157 3.527 1.00 59.41 C +ATOM 3251 N THR B 62 64.508 30.170 0.458 1.00 60.33 N +ATOM 3252 CA THR B 62 65.838 30.302 -0.146 1.00 59.91 C +ATOM 3253 C THR B 62 66.100 31.718 -0.529 1.00 60.68 C +ATOM 3254 O THR B 62 67.067 32.316 -0.103 1.00 60.45 O +ATOM 3255 CB THR B 62 65.957 29.482 -1.433 1.00 58.66 C +ATOM 3256 OG1 THR B 62 65.457 28.162 -1.211 1.00 58.09 O +ATOM 3257 CG2 THR B 62 67.406 29.397 -1.866 1.00 58.22 C +ATOM 3258 N VAL B 63 65.231 32.239 -1.372 1.00 61.74 N +ATOM 3259 CA VAL B 63 65.348 33.600 -1.835 1.00 62.92 C +ATOM 3260 C VAL B 63 65.381 34.534 -0.649 1.00 64.14 C +ATOM 3261 O VAL B 63 66.231 35.426 -0.585 1.00 64.38 O +ATOM 3262 CB VAL B 63 64.153 33.950 -2.733 1.00 62.57 C +ATOM 3263 CG1 VAL B 63 64.179 35.415 -3.095 1.00 63.06 C +ATOM 3264 CG2 VAL B 63 64.178 33.090 -3.981 1.00 62.13 C +ATOM 3265 N GLN B 64 64.469 34.323 0.293 1.00 65.45 N +ATOM 3266 CA GLN B 64 64.380 35.176 1.468 1.00 66.51 C +ATOM 3267 C GLN B 64 65.614 35.102 2.359 1.00 66.82 C +ATOM 3268 O GLN B 64 66.056 36.127 2.835 1.00 66.86 O +ATOM 3269 CB GLN B 64 63.144 34.823 2.281 1.00 66.35 C +ATOM 3270 CG GLN B 64 63.193 35.418 3.650 1.00 66.74 C +ATOM 3271 CD GLN B 64 61.920 35.212 4.407 1.00 67.24 C +ATOM 3272 OE1 GLN B 64 60.897 35.797 4.080 1.00 67.98 O +ATOM 3273 NE2 GLN B 64 61.970 34.370 5.430 1.00 67.72 N +ATOM 3274 N HIS B 65 66.175 33.918 2.575 1.00 67.73 N +ATOM 3275 CA HIS B 65 67.339 33.792 3.451 1.00 68.43 C +ATOM 3276 C HIS B 65 68.667 33.847 2.721 1.00 68.78 C +ATOM 3277 O HIS B 65 69.145 32.851 2.183 1.00 68.71 O +ATOM 3278 CB HIS B 65 67.200 32.528 4.295 1.00 68.55 C +ATOM 3279 CG HIS B 65 66.081 32.619 5.279 1.00 68.77 C +ATOM 3280 ND1 HIS B 65 66.216 32.257 6.602 1.00 68.99 N +ATOM 3281 CD2 HIS B 65 64.838 33.142 5.156 1.00 68.73 C +ATOM 3282 CE1 HIS B 65 65.105 32.558 7.251 1.00 68.86 C +ATOM 3283 NE2 HIS B 65 64.255 33.098 6.398 1.00 68.80 N +ATOM 3284 N LYS B 66 69.267 35.035 2.772 1.00 69.27 N +ATOM 3285 CA LYS B 66 70.527 35.397 2.120 1.00 69.62 C +ATOM 3286 C LYS B 66 71.682 34.395 2.254 1.00 68.40 C +ATOM 3287 O LYS B 66 72.562 34.429 1.410 1.00 68.31 O +ATOM 3288 CB LYS B 66 70.957 36.779 2.624 1.00 72.46 C +ATOM 3289 CG LYS B 66 72.234 37.337 2.002 1.00 76.01 C +ATOM 3290 CD LYS B 66 72.667 38.637 2.715 1.00 78.35 C +ATOM 3291 CE LYS B 66 74.106 39.030 2.384 1.00 79.37 C +ATOM 3292 NZ LYS B 66 74.509 40.284 3.080 1.00 81.07 N +ATOM 3293 N LYS B 67 71.712 33.524 3.256 1.00 67.58 N +ATOM 3294 CA LYS B 67 72.842 32.585 3.349 1.00 67.57 C +ATOM 3295 C LYS B 67 72.596 31.339 2.543 1.00 66.77 C +ATOM 3296 O LYS B 67 73.550 30.684 2.133 1.00 67.06 O +ATOM 3297 CB LYS B 67 73.115 32.131 4.782 1.00 69.34 C +ATOM 3298 CG LYS B 67 72.228 30.979 5.234 1.00 71.55 C +ATOM 3299 CD LYS B 67 72.682 30.326 6.543 1.00 73.99 C +ATOM 3300 CE LYS B 67 71.730 29.166 6.895 1.00 75.86 C +ATOM 3301 NZ LYS B 67 72.010 28.458 8.182 1.00 77.10 N +ATOM 3302 N LEU B 68 71.334 30.976 2.354 1.00 65.48 N +ATOM 3303 CA LEU B 68 71.014 29.775 1.593 1.00 63.89 C +ATOM 3304 C LEU B 68 71.421 30.013 0.142 1.00 62.73 C +ATOM 3305 O LEU B 68 70.606 30.376 -0.705 1.00 62.24 O +ATOM 3306 CB LEU B 68 69.518 29.467 1.756 1.00 63.86 C +ATOM 3307 CG LEU B 68 69.159 29.284 3.235 1.00 62.79 C +ATOM 3308 CD1 LEU B 68 67.678 29.421 3.447 1.00 62.47 C +ATOM 3309 CD2 LEU B 68 69.667 27.940 3.711 1.00 62.74 C +ATOM 3310 N ARG B 69 72.703 29.822 -0.132 1.00 61.60 N +ATOM 3311 CA ARG B 69 73.207 30.055 -1.464 1.00 61.02 C +ATOM 3312 C ARG B 69 74.337 29.118 -1.776 1.00 61.70 C +ATOM 3313 O ARG B 69 75.179 29.470 -2.577 1.00 62.92 O +ATOM 3314 CB ARG B 69 73.694 31.493 -1.583 1.00 59.82 C +ATOM 3315 CG ARG B 69 72.647 32.550 -1.268 1.00 58.94 C +ATOM 3316 CD ARG B 69 71.851 32.893 -2.501 1.00 58.29 C +ATOM 3317 NE ARG B 69 70.828 33.912 -2.270 1.00 56.88 N +ATOM 3318 CZ ARG B 69 69.810 33.778 -1.427 1.00 56.05 C +ATOM 3319 NH1 ARG B 69 69.679 32.665 -0.719 1.00 55.84 N +ATOM 3320 NH2 ARG B 69 68.909 34.747 -1.315 1.00 55.60 N +ATOM 3321 N THR B 70 74.386 27.949 -1.142 1.00 61.75 N +ATOM 3322 CA THR B 70 75.441 26.980 -1.449 1.00 62.09 C +ATOM 3323 C THR B 70 75.014 26.232 -2.716 1.00 62.45 C +ATOM 3324 O THR B 70 73.895 26.444 -3.184 1.00 62.01 O +ATOM 3325 CB THR B 70 75.651 25.978 -0.285 1.00 62.33 C +ATOM 3326 OG1 THR B 70 74.535 25.078 -0.192 1.00 64.30 O +ATOM 3327 CG2 THR B 70 75.786 26.730 1.022 1.00 62.57 C +ATOM 3328 N PRO B 71 75.880 25.368 -3.295 1.00 63.32 N +ATOM 3329 CA PRO B 71 75.413 24.686 -4.508 1.00 63.49 C +ATOM 3330 C PRO B 71 74.108 23.980 -4.248 1.00 63.24 C +ATOM 3331 O PRO B 71 73.126 24.226 -4.948 1.00 63.18 O +ATOM 3332 CB PRO B 71 76.556 23.720 -4.828 1.00 63.73 C +ATOM 3333 CG PRO B 71 77.758 24.452 -4.327 1.00 64.25 C +ATOM 3334 CD PRO B 71 77.262 24.959 -2.978 1.00 63.91 C +ATOM 3335 N LEU B 72 74.096 23.127 -3.230 1.00 62.97 N +ATOM 3336 CA LEU B 72 72.897 22.389 -2.876 1.00 62.65 C +ATOM 3337 C LEU B 72 71.726 23.338 -2.834 1.00 62.49 C +ATOM 3338 O LEU B 72 70.698 23.030 -3.417 1.00 62.33 O +ATOM 3339 CB LEU B 72 73.072 21.709 -1.518 1.00 62.35 C +ATOM 3340 CG LEU B 72 71.959 20.767 -1.068 1.00 62.41 C +ATOM 3341 CD1 LEU B 72 71.819 19.631 -2.075 1.00 62.74 C +ATOM 3342 CD2 LEU B 72 72.287 20.231 0.321 1.00 61.89 C +ATOM 3343 N ASN B 73 71.877 24.488 -2.174 1.00 62.04 N +ATOM 3344 CA ASN B 73 70.774 25.454 -2.082 1.00 61.75 C +ATOM 3345 C ASN B 73 70.333 25.856 -3.473 1.00 60.82 C +ATOM 3346 O ASN B 73 69.160 26.152 -3.684 1.00 61.03 O +ATOM 3347 CB ASN B 73 71.180 26.722 -1.297 1.00 62.54 C +ATOM 3348 CG ASN B 73 71.649 26.423 0.137 1.00 63.30 C +ATOM 3349 OD1 ASN B 73 71.261 25.426 0.751 1.00 63.07 O +ATOM 3350 ND2 ASN B 73 72.478 27.316 0.678 1.00 64.14 N +ATOM 3351 N TYR B 74 71.273 25.854 -4.414 1.00 59.79 N +ATOM 3352 CA TYR B 74 71.008 26.242 -5.793 1.00 58.81 C +ATOM 3353 C TYR B 74 70.244 25.182 -6.527 1.00 58.18 C +ATOM 3354 O TYR B 74 69.306 25.483 -7.252 1.00 58.91 O +ATOM 3355 CB TYR B 74 72.324 26.527 -6.508 1.00 58.98 C +ATOM 3356 CG TYR B 74 72.743 27.964 -6.366 1.00 59.72 C +ATOM 3357 CD1 TYR B 74 72.231 28.936 -7.219 1.00 59.84 C +ATOM 3358 CD2 TYR B 74 73.591 28.371 -5.337 1.00 59.69 C +ATOM 3359 CE1 TYR B 74 72.545 30.274 -7.059 1.00 59.98 C +ATOM 3360 CE2 TYR B 74 73.912 29.713 -5.165 1.00 60.08 C +ATOM 3361 CZ TYR B 74 73.382 30.661 -6.032 1.00 60.61 C +ATOM 3362 OH TYR B 74 73.675 31.999 -5.877 1.00 61.45 O +ATOM 3363 N ILE B 75 70.637 23.936 -6.345 1.00 56.43 N +ATOM 3364 CA ILE B 75 69.967 22.851 -7.025 1.00 55.15 C +ATOM 3365 C ILE B 75 68.519 22.719 -6.539 1.00 53.69 C +ATOM 3366 O ILE B 75 67.599 22.659 -7.364 1.00 52.96 O +ATOM 3367 CB ILE B 75 70.772 21.522 -6.826 1.00 56.26 C +ATOM 3368 CG1 ILE B 75 72.087 21.593 -7.627 1.00 56.42 C +ATOM 3369 CG2 ILE B 75 69.936 20.311 -7.224 1.00 56.45 C +ATOM 3370 CD1 ILE B 75 71.947 21.724 -9.155 1.00 57.10 C +ATOM 3371 N LEU B 76 68.300 22.715 -5.226 1.00 52.55 N +ATOM 3372 CA LEU B 76 66.946 22.544 -4.719 1.00 51.08 C +ATOM 3373 C LEU B 76 66.019 23.713 -5.036 1.00 51.21 C +ATOM 3374 O LEU B 76 64.802 23.527 -4.999 1.00 51.82 O +ATOM 3375 CB LEU B 76 66.956 22.166 -3.229 1.00 49.04 C +ATOM 3376 CG LEU B 76 67.191 20.642 -3.190 1.00 48.43 C +ATOM 3377 CD1 LEU B 76 68.670 20.317 -3.174 1.00 48.59 C +ATOM 3378 CD2 LEU B 76 66.525 20.040 -1.997 1.00 48.27 C +ATOM 3379 N LEU B 77 66.525 24.898 -5.360 1.00 50.39 N +ATOM 3380 CA LEU B 77 65.568 25.936 -5.731 1.00 49.78 C +ATOM 3381 C LEU B 77 65.118 25.555 -7.133 1.00 49.91 C +ATOM 3382 O LEU B 77 63.928 25.654 -7.484 1.00 50.38 O +ATOM 3383 CB LEU B 77 66.204 27.330 -5.740 1.00 48.86 C +ATOM 3384 CG LEU B 77 65.211 28.400 -6.227 1.00 49.30 C +ATOM 3385 CD1 LEU B 77 64.056 28.532 -5.250 1.00 49.46 C +ATOM 3386 CD2 LEU B 77 65.898 29.730 -6.385 1.00 49.22 C +ATOM 3387 N ASN B 78 66.096 25.095 -7.917 1.00 49.59 N +ATOM 3388 CA ASN B 78 65.888 24.648 -9.290 1.00 48.73 C +ATOM 3389 C ASN B 78 64.725 23.702 -9.208 1.00 47.82 C +ATOM 3390 O ASN B 78 63.634 24.022 -9.673 1.00 47.45 O +ATOM 3391 CB ASN B 78 67.158 23.927 -9.788 1.00 48.71 C +ATOM 3392 CG ASN B 78 67.359 24.032 -11.296 1.00 49.38 C +ATOM 3393 OD1 ASN B 78 66.862 24.950 -11.938 1.00 49.77 O +ATOM 3394 ND2 ASN B 78 68.118 23.094 -11.857 1.00 49.58 N +ATOM 3395 N LEU B 79 64.953 22.568 -8.559 1.00 46.85 N +ATOM 3396 CA LEU B 79 63.929 21.564 -8.365 1.00 45.63 C +ATOM 3397 C LEU B 79 62.645 22.202 -7.911 1.00 45.84 C +ATOM 3398 O LEU B 79 61.597 21.867 -8.443 1.00 46.58 O +ATOM 3399 CB LEU B 79 64.399 20.555 -7.333 1.00 45.29 C +ATOM 3400 CG LEU B 79 65.421 19.535 -7.844 1.00 46.06 C +ATOM 3401 CD1 LEU B 79 66.486 20.220 -8.664 1.00 47.40 C +ATOM 3402 CD2 LEU B 79 66.037 18.812 -6.671 1.00 46.46 C +ATOM 3403 N ALA B 80 62.706 23.113 -6.946 1.00 45.47 N +ATOM 3404 CA ALA B 80 61.495 23.769 -6.466 1.00 45.10 C +ATOM 3405 C ALA B 80 60.809 24.436 -7.629 1.00 45.33 C +ATOM 3406 O ALA B 80 59.586 24.398 -7.700 1.00 45.80 O +ATOM 3407 CB ALA B 80 61.828 24.801 -5.392 1.00 45.13 C +ATOM 3408 N VAL B 81 61.584 25.030 -8.536 1.00 44.88 N +ATOM 3409 CA VAL B 81 61.029 25.714 -9.714 1.00 44.96 C +ATOM 3410 C VAL B 81 60.579 24.737 -10.799 1.00 45.08 C +ATOM 3411 O VAL B 81 59.611 24.989 -11.497 1.00 45.62 O +ATOM 3412 CB VAL B 81 62.053 26.676 -10.344 1.00 44.60 C +ATOM 3413 CG1 VAL B 81 61.572 27.134 -11.704 1.00 43.33 C +ATOM 3414 CG2 VAL B 81 62.231 27.867 -9.466 1.00 45.06 C +ATOM 3415 N ALA B 82 61.301 23.646 -10.970 1.00 45.23 N +ATOM 3416 CA ALA B 82 60.922 22.675 -11.968 1.00 44.90 C +ATOM 3417 C ALA B 82 59.637 22.000 -11.486 1.00 45.56 C +ATOM 3418 O ALA B 82 58.757 21.652 -12.293 1.00 45.50 O +ATOM 3419 CB ALA B 82 62.048 21.654 -12.134 1.00 44.06 C +ATOM 3420 N ASP B 83 59.521 21.851 -10.169 1.00 45.61 N +ATOM 3421 CA ASP B 83 58.362 21.202 -9.581 1.00 45.44 C +ATOM 3422 C ASP B 83 57.132 22.061 -9.726 1.00 45.96 C +ATOM 3423 O ASP B 83 56.035 21.537 -9.941 1.00 46.53 O +ATOM 3424 CB ASP B 83 58.611 20.907 -8.109 1.00 44.80 C +ATOM 3425 CG ASP B 83 59.601 19.787 -7.904 1.00 44.67 C +ATOM 3426 OD1 ASP B 83 60.020 19.152 -8.901 1.00 44.59 O +ATOM 3427 OD2 ASP B 83 59.955 19.542 -6.734 1.00 44.12 O +ATOM 3428 N LEU B 84 57.291 23.370 -9.608 1.00 45.80 N +ATOM 3429 CA LEU B 84 56.151 24.258 -9.744 1.00 46.50 C +ATOM 3430 C LEU B 84 55.631 24.226 -11.180 1.00 47.41 C +ATOM 3431 O LEU B 84 54.460 24.508 -11.416 1.00 48.05 O +ATOM 3432 CB LEU B 84 56.544 25.674 -9.327 1.00 47.56 C +ATOM 3433 CG LEU B 84 56.776 25.860 -7.823 1.00 47.99 C +ATOM 3434 CD1 LEU B 84 57.380 27.236 -7.592 1.00 46.99 C +ATOM 3435 CD2 LEU B 84 55.459 25.685 -7.052 1.00 47.71 C +ATOM 3436 N PHE B 85 56.492 23.889 -12.137 1.00 47.36 N +ATOM 3437 CA PHE B 85 56.064 23.789 -13.533 1.00 47.55 C +ATOM 3438 C PHE B 85 55.271 22.522 -13.732 1.00 47.21 C +ATOM 3439 O PHE B 85 54.204 22.558 -14.351 1.00 48.20 O +ATOM 3440 CB PHE B 85 57.256 23.788 -14.480 1.00 47.72 C +ATOM 3441 CG PHE B 85 57.716 25.148 -14.826 1.00 48.29 C +ATOM 3442 CD1 PHE B 85 56.831 26.048 -15.411 1.00 48.19 C +ATOM 3443 CD2 PHE B 85 59.019 25.548 -14.552 1.00 48.88 C +ATOM 3444 CE1 PHE B 85 57.240 27.341 -15.717 1.00 47.90 C +ATOM 3445 CE2 PHE B 85 59.444 26.835 -14.852 1.00 48.70 C +ATOM 3446 CZ PHE B 85 58.554 27.740 -15.438 1.00 47.98 C +ATOM 3447 N MET B 86 55.786 21.405 -13.231 1.00 46.19 N +ATOM 3448 CA MET B 86 55.062 20.154 -13.348 1.00 45.05 C +ATOM 3449 C MET B 86 53.657 20.393 -12.859 1.00 44.00 C +ATOM 3450 O MET B 86 52.716 20.196 -13.606 1.00 44.50 O +ATOM 3451 CB MET B 86 55.708 19.075 -12.481 1.00 45.22 C +ATOM 3452 CG MET B 86 57.158 18.783 -12.808 1.00 44.79 C +ATOM 3453 SD MET B 86 57.787 17.414 -11.823 1.00 47.66 S +ATOM 3454 CE MET B 86 57.243 16.022 -12.752 1.00 45.68 C +ATOM 3455 N VAL B 87 53.539 20.852 -11.615 1.00 42.46 N +ATOM 3456 CA VAL B 87 52.253 21.099 -10.974 1.00 41.12 C +ATOM 3457 C VAL B 87 51.309 21.976 -11.802 1.00 41.70 C +ATOM 3458 O VAL B 87 50.184 21.550 -12.117 1.00 42.19 O +ATOM 3459 CB VAL B 87 52.461 21.733 -9.586 1.00 39.09 C +ATOM 3460 CG1 VAL B 87 51.145 22.208 -9.020 1.00 37.84 C +ATOM 3461 CG2 VAL B 87 53.079 20.719 -8.653 1.00 37.96 C +ATOM 3462 N PHE B 88 51.749 23.181 -12.155 1.00 42.10 N +ATOM 3463 CA PHE B 88 50.905 24.116 -12.907 1.00 41.87 C +ATOM 3464 C PHE B 88 50.934 23.851 -14.380 1.00 41.31 C +ATOM 3465 O PHE B 88 49.897 23.896 -15.008 1.00 40.80 O +ATOM 3466 CB PHE B 88 51.339 25.563 -12.626 1.00 42.72 C +ATOM 3467 CG PHE B 88 51.028 26.028 -11.224 1.00 43.91 C +ATOM 3468 CD1 PHE B 88 49.712 26.259 -10.831 1.00 44.79 C +ATOM 3469 CD2 PHE B 88 52.044 26.193 -10.284 1.00 43.85 C +ATOM 3470 CE1 PHE B 88 49.416 26.640 -9.532 1.00 45.01 C +ATOM 3471 CE2 PHE B 88 51.756 26.573 -8.988 1.00 44.06 C +ATOM 3472 CZ PHE B 88 50.443 26.797 -8.609 1.00 45.18 C +ATOM 3473 N GLY B 89 52.111 23.580 -14.930 1.00 41.66 N +ATOM 3474 CA GLY B 89 52.219 23.316 -16.351 1.00 41.90 C +ATOM 3475 C GLY B 89 51.633 21.995 -16.827 1.00 42.79 C +ATOM 3476 O GLY B 89 51.060 21.932 -17.903 1.00 42.68 O +ATOM 3477 N GLY B 90 51.763 20.939 -16.032 1.00 43.32 N +ATOM 3478 CA GLY B 90 51.249 19.654 -16.469 1.00 43.20 C +ATOM 3479 C GLY B 90 50.197 18.987 -15.617 1.00 43.65 C +ATOM 3480 O GLY B 90 49.222 18.497 -16.143 1.00 45.05 O +ATOM 3481 N PHE B 91 50.393 18.976 -14.305 1.00 42.95 N +ATOM 3482 CA PHE B 91 49.458 18.331 -13.390 1.00 41.35 C +ATOM 3483 C PHE B 91 48.070 18.877 -13.542 1.00 41.69 C +ATOM 3484 O PHE B 91 47.083 18.166 -13.329 1.00 42.62 O +ATOM 3485 CB PHE B 91 49.943 18.457 -11.946 1.00 39.94 C +ATOM 3486 CG PHE B 91 51.128 17.588 -11.643 1.00 38.82 C +ATOM 3487 CD1 PHE B 91 51.667 16.762 -12.627 1.00 37.58 C +ATOM 3488 CD2 PHE B 91 51.702 17.579 -10.379 1.00 38.38 C +ATOM 3489 CE1 PHE B 91 52.752 15.948 -12.359 1.00 37.77 C +ATOM 3490 CE2 PHE B 91 52.798 16.759 -10.103 1.00 37.52 C +ATOM 3491 CZ PHE B 91 53.321 15.944 -11.098 1.00 36.95 C +ATOM 3492 N THR B 92 47.966 20.128 -13.937 1.00 41.59 N +ATOM 3493 CA THR B 92 46.650 20.709 -14.110 1.00 41.84 C +ATOM 3494 C THR B 92 45.896 20.014 -15.248 1.00 41.20 C +ATOM 3495 O THR B 92 44.708 19.767 -15.124 1.00 40.49 O +ATOM 3496 CB THR B 92 46.784 22.205 -14.370 1.00 43.41 C +ATOM 3497 OG1 THR B 92 47.801 22.428 -15.365 1.00 45.67 O +ATOM 3498 CG2 THR B 92 47.163 22.920 -13.069 1.00 44.36 C +ATOM 3499 N THR B 93 46.578 19.694 -16.341 1.00 40.67 N +ATOM 3500 CA THR B 93 45.922 19.029 -17.448 1.00 40.30 C +ATOM 3501 C THR B 93 45.638 17.602 -17.084 1.00 39.99 C +ATOM 3502 O THR B 93 44.605 17.081 -17.467 1.00 39.40 O +ATOM 3503 CB THR B 93 46.798 19.018 -18.711 1.00 41.17 C +ATOM 3504 OG1 THR B 93 46.911 20.339 -19.244 1.00 42.27 O +ATOM 3505 CG2 THR B 93 46.184 18.124 -19.771 1.00 41.58 C +ATOM 3506 N THR B 94 46.536 16.963 -16.343 1.00 39.96 N +ATOM 3507 CA THR B 94 46.335 15.562 -16.003 1.00 40.39 C +ATOM 3508 C THR B 94 45.161 15.368 -15.083 1.00 40.62 C +ATOM 3509 O THR B 94 44.559 14.284 -15.107 1.00 40.47 O +ATOM 3510 CB THR B 94 47.636 14.892 -15.429 1.00 40.95 C +ATOM 3511 OG1 THR B 94 47.295 13.694 -14.713 1.00 41.51 O +ATOM 3512 CG2 THR B 94 48.399 15.831 -14.562 1.00 40.33 C +ATOM 3513 N LEU B 95 44.817 16.417 -14.324 1.00 40.95 N +ATOM 3514 CA LEU B 95 43.667 16.413 -13.401 1.00 40.58 C +ATOM 3515 C LEU B 95 42.374 16.586 -14.195 1.00 41.06 C +ATOM 3516 O LEU B 95 41.427 15.833 -14.041 1.00 40.81 O +ATOM 3517 CB LEU B 95 43.793 17.560 -12.397 1.00 39.55 C +ATOM 3518 CG LEU B 95 42.590 17.701 -11.462 1.00 38.88 C +ATOM 3519 CD1 LEU B 95 42.288 16.376 -10.802 1.00 39.84 C +ATOM 3520 CD2 LEU B 95 42.875 18.733 -10.415 1.00 38.54 C +ATOM 3521 N TYR B 96 42.360 17.599 -15.044 1.00 42.22 N +ATOM 3522 CA TYR B 96 41.229 17.905 -15.887 1.00 43.12 C +ATOM 3523 C TYR B 96 40.889 16.706 -16.755 1.00 42.66 C +ATOM 3524 O TYR B 96 39.722 16.329 -16.870 1.00 42.86 O +ATOM 3525 CB TYR B 96 41.599 19.078 -16.766 1.00 45.75 C +ATOM 3526 CG TYR B 96 40.440 19.614 -17.554 1.00 50.20 C +ATOM 3527 CD1 TYR B 96 39.474 20.423 -16.951 1.00 51.62 C +ATOM 3528 CD2 TYR B 96 40.299 19.311 -18.907 1.00 52.67 C +ATOM 3529 CE1 TYR B 96 38.389 20.918 -17.681 1.00 53.69 C +ATOM 3530 CE2 TYR B 96 39.225 19.804 -19.649 1.00 54.49 C +ATOM 3531 CZ TYR B 96 38.271 20.605 -19.035 1.00 54.68 C +ATOM 3532 OH TYR B 96 37.203 21.061 -19.782 1.00 55.23 O +ATOM 3533 N THR B 97 41.914 16.130 -17.375 1.00 41.73 N +ATOM 3534 CA THR B 97 41.780 14.956 -18.247 1.00 40.99 C +ATOM 3535 C THR B 97 41.136 13.788 -17.492 1.00 40.62 C +ATOM 3536 O THR B 97 40.156 13.210 -17.956 1.00 40.35 O +ATOM 3537 CB THR B 97 43.181 14.528 -18.794 1.00 40.31 C +ATOM 3538 OG1 THR B 97 43.722 15.586 -19.594 1.00 40.48 O +ATOM 3539 CG2 THR B 97 43.089 13.291 -19.646 1.00 40.31 C +ATOM 3540 N SER B 98 41.689 13.441 -16.339 1.00 40.94 N +ATOM 3541 CA SER B 98 41.149 12.353 -15.535 1.00 41.45 C +ATOM 3542 C SER B 98 39.710 12.668 -15.174 1.00 41.67 C +ATOM 3543 O SER B 98 38.865 11.765 -15.132 1.00 42.42 O +ATOM 3544 CB SER B 98 41.959 12.192 -14.240 1.00 41.38 C +ATOM 3545 OG SER B 98 43.346 12.027 -14.487 1.00 40.92 O +ATOM 3546 N LEU B 99 39.435 13.942 -14.895 1.00 42.04 N +ATOM 3547 CA LEU B 99 38.094 14.367 -14.526 1.00 42.04 C +ATOM 3548 C LEU B 99 37.143 14.118 -15.645 1.00 43.24 C +ATOM 3549 O LEU B 99 35.946 14.033 -15.399 1.00 45.01 O +ATOM 3550 CB LEU B 99 38.075 15.845 -14.160 1.00 40.50 C +ATOM 3551 CG LEU B 99 38.606 16.091 -12.752 1.00 40.32 C +ATOM 3552 CD1 LEU B 99 38.696 17.582 -12.476 1.00 39.77 C +ATOM 3553 CD2 LEU B 99 37.702 15.410 -11.758 1.00 38.67 C +ATOM 3554 N HIS B 100 37.658 13.967 -16.862 1.00 43.76 N +ATOM 3555 CA HIS B 100 36.804 13.749 -18.020 1.00 43.37 C +ATOM 3556 C HIS B 100 36.953 12.394 -18.633 1.00 42.44 C +ATOM 3557 O HIS B 100 36.100 11.995 -19.386 1.00 42.36 O +ATOM 3558 CB HIS B 100 37.075 14.837 -19.037 1.00 45.33 C +ATOM 3559 CG HIS B 100 36.742 16.193 -18.521 1.00 48.76 C +ATOM 3560 ND1 HIS B 100 35.469 16.528 -18.114 1.00 50.07 N +ATOM 3561 CD2 HIS B 100 37.521 17.263 -18.249 1.00 49.72 C +ATOM 3562 CE1 HIS B 100 35.479 17.748 -17.610 1.00 50.87 C +ATOM 3563 NE2 HIS B 100 36.712 18.216 -17.679 1.00 51.17 N +ATOM 3564 N GLY B 101 38.018 11.673 -18.334 1.00 42.05 N +ATOM 3565 CA GLY B 101 38.140 10.362 -18.927 1.00 41.58 C +ATOM 3566 C GLY B 101 38.967 10.323 -20.191 1.00 41.82 C +ATOM 3567 O GLY B 101 39.250 9.251 -20.698 1.00 42.39 O +ATOM 3568 N TYR B 102 39.343 11.483 -20.716 1.00 41.49 N +ATOM 3569 CA TYR B 102 40.178 11.542 -21.916 1.00 41.64 C +ATOM 3570 C TYR B 102 40.729 12.915 -22.057 1.00 41.74 C +ATOM 3571 O TYR B 102 40.343 13.810 -21.305 1.00 41.70 O +ATOM 3572 CB TYR B 102 39.403 11.214 -23.187 1.00 42.22 C +ATOM 3573 CG TYR B 102 38.401 12.264 -23.565 1.00 43.25 C +ATOM 3574 CD1 TYR B 102 37.160 12.322 -22.925 1.00 43.73 C +ATOM 3575 CD2 TYR B 102 38.698 13.224 -24.537 1.00 43.93 C +ATOM 3576 CE1 TYR B 102 36.231 13.310 -23.235 1.00 44.41 C +ATOM 3577 CE2 TYR B 102 37.777 14.223 -24.859 1.00 44.20 C +ATOM 3578 CZ TYR B 102 36.546 14.258 -24.198 1.00 44.69 C +ATOM 3579 OH TYR B 102 35.628 15.246 -24.471 1.00 45.76 O +ATOM 3580 N PHE B 103 41.629 13.088 -23.022 1.00 41.92 N +ATOM 3581 CA PHE B 103 42.255 14.383 -23.260 1.00 42.21 C +ATOM 3582 C PHE B 103 41.297 15.280 -23.966 1.00 43.57 C +ATOM 3583 O PHE B 103 41.318 15.360 -25.185 1.00 43.12 O +ATOM 3584 CB PHE B 103 43.541 14.206 -24.064 1.00 40.22 C +ATOM 3585 CG PHE B 103 44.739 13.982 -23.205 1.00 39.52 C +ATOM 3586 CD1 PHE B 103 45.437 15.061 -22.672 1.00 38.74 C +ATOM 3587 CD2 PHE B 103 45.121 12.694 -22.850 1.00 39.40 C +ATOM 3588 CE1 PHE B 103 46.489 14.863 -21.798 1.00 38.85 C +ATOM 3589 CE2 PHE B 103 46.174 12.487 -21.973 1.00 39.97 C +ATOM 3590 CZ PHE B 103 46.860 13.574 -21.446 1.00 39.27 C +ATOM 3591 N VAL B 104 40.443 15.950 -23.201 1.00 45.63 N +ATOM 3592 CA VAL B 104 39.464 16.836 -23.807 1.00 48.83 C +ATOM 3593 C VAL B 104 40.197 17.962 -24.556 1.00 50.31 C +ATOM 3594 O VAL B 104 39.683 18.439 -25.581 1.00 51.85 O +ATOM 3595 CB VAL B 104 38.459 17.411 -22.749 1.00 48.51 C +ATOM 3596 CG1 VAL B 104 38.603 16.680 -21.421 1.00 48.36 C +ATOM 3597 CG2 VAL B 104 38.665 18.893 -22.583 1.00 50.17 C +ATOM 3598 N PHE B 105 41.385 18.360 -24.080 1.00 51.13 N +ATOM 3599 CA PHE B 105 42.171 19.422 -24.739 1.00 51.44 C +ATOM 3600 C PHE B 105 43.006 18.855 -25.874 1.00 49.67 C +ATOM 3601 O PHE B 105 44.030 19.438 -26.197 1.00 49.89 O +ATOM 3602 CB PHE B 105 43.142 20.112 -23.763 1.00 54.80 C +ATOM 3603 CG PHE B 105 42.476 20.773 -22.584 1.00 58.87 C +ATOM 3604 CD1 PHE B 105 41.423 21.689 -22.771 1.00 60.06 C +ATOM 3605 CD2 PHE B 105 42.918 20.499 -21.280 1.00 59.84 C +ATOM 3606 CE1 PHE B 105 40.811 22.329 -21.674 1.00 60.65 C +ATOM 3607 CE2 PHE B 105 42.317 21.130 -20.177 1.00 60.55 C +ATOM 3608 CZ PHE B 105 41.257 22.050 -20.376 1.00 60.67 C +ATOM 3609 N GLY B 106 42.601 17.732 -26.460 1.00 47.68 N +ATOM 3610 CA GLY B 106 43.376 17.161 -27.544 1.00 45.29 C +ATOM 3611 C GLY B 106 44.880 17.065 -27.309 1.00 44.42 C +ATOM 3612 O GLY B 106 45.358 17.100 -26.172 1.00 43.40 O +ATOM 3613 N PRO B 107 45.661 16.940 -28.392 1.00 44.33 N +ATOM 3614 CA PRO B 107 47.122 16.831 -28.327 1.00 44.37 C +ATOM 3615 C PRO B 107 47.890 17.962 -27.677 1.00 44.57 C +ATOM 3616 O PRO B 107 49.022 17.744 -27.265 1.00 44.52 O +ATOM 3617 CB PRO B 107 47.527 16.584 -29.785 1.00 44.18 C +ATOM 3618 CG PRO B 107 46.362 17.071 -30.580 1.00 43.84 C +ATOM 3619 CD PRO B 107 45.180 16.684 -29.761 1.00 43.97 C +ATOM 3620 N THR B 108 47.313 19.155 -27.585 1.00 44.90 N +ATOM 3621 CA THR B 108 48.017 20.241 -26.917 1.00 44.94 C +ATOM 3622 C THR B 108 48.094 19.897 -25.444 1.00 45.84 C +ATOM 3623 O THR B 108 49.162 20.027 -24.853 1.00 47.17 O +ATOM 3624 CB THR B 108 47.286 21.577 -27.090 1.00 44.19 C +ATOM 3625 OG1 THR B 108 47.546 22.078 -28.400 1.00 44.67 O +ATOM 3626 CG2 THR B 108 47.760 22.594 -26.066 1.00 44.20 C +ATOM 3627 N GLY B 109 46.970 19.451 -24.869 1.00 45.87 N +ATOM 3628 CA GLY B 109 46.921 19.076 -23.461 1.00 44.79 C +ATOM 3629 C GLY B 109 47.884 17.937 -23.198 1.00 44.24 C +ATOM 3630 O GLY B 109 48.552 17.907 -22.161 1.00 44.83 O +ATOM 3631 N CYS B 110 47.946 17.011 -24.159 1.00 43.45 N +ATOM 3632 CA CYS B 110 48.819 15.851 -24.107 1.00 42.94 C +ATOM 3633 C CYS B 110 50.260 16.303 -24.101 1.00 43.99 C +ATOM 3634 O CYS B 110 51.107 15.676 -23.430 1.00 43.81 O +ATOM 3635 CB CYS B 110 48.573 14.995 -25.335 1.00 42.64 C +ATOM 3636 SG CYS B 110 49.521 13.449 -25.467 1.00 41.21 S +ATOM 3637 N ASN B 111 50.546 17.360 -24.872 1.00 44.43 N +ATOM 3638 CA ASN B 111 51.894 17.929 -24.942 1.00 44.54 C +ATOM 3639 C ASN B 111 52.190 18.615 -23.621 1.00 44.63 C +ATOM 3640 O ASN B 111 53.293 18.483 -23.093 1.00 45.36 O +ATOM 3641 CB ASN B 111 52.008 18.945 -26.083 1.00 45.24 C +ATOM 3642 CG ASN B 111 51.867 18.306 -27.454 1.00 46.09 C +ATOM 3643 OD1 ASN B 111 52.535 17.319 -27.775 1.00 45.41 O +ATOM 3644 ND2 ASN B 111 51.003 18.882 -28.277 1.00 47.04 N +ATOM 3645 N LEU B 112 51.211 19.336 -23.088 1.00 43.68 N +ATOM 3646 CA LEU B 112 51.393 20.000 -21.816 1.00 42.82 C +ATOM 3647 C LEU B 112 51.698 18.950 -20.781 1.00 43.57 C +ATOM 3648 O LEU B 112 52.733 19.010 -20.111 1.00 44.09 O +ATOM 3649 CB LEU B 112 50.125 20.766 -21.429 1.00 41.74 C +ATOM 3650 CG LEU B 112 49.887 22.087 -22.159 1.00 41.04 C +ATOM 3651 CD1 LEU B 112 48.601 22.714 -21.671 1.00 39.53 C +ATOM 3652 CD2 LEU B 112 51.063 23.009 -21.914 1.00 39.39 C +ATOM 3653 N GLU B 113 50.807 17.975 -20.668 1.00 43.82 N +ATOM 3654 CA GLU B 113 50.958 16.904 -19.696 1.00 44.75 C +ATOM 3655 C GLU B 113 52.341 16.252 -19.816 1.00 45.66 C +ATOM 3656 O GLU B 113 53.090 16.208 -18.824 1.00 46.76 O +ATOM 3657 CB GLU B 113 49.842 15.871 -19.903 1.00 44.18 C +ATOM 3658 CG GLU B 113 49.261 15.297 -18.638 1.00 44.43 C +ATOM 3659 CD GLU B 113 50.249 14.445 -17.865 1.00 45.54 C +ATOM 3660 OE1 GLU B 113 50.825 13.517 -18.464 1.00 44.80 O +ATOM 3661 OE2 GLU B 113 50.441 14.698 -16.651 1.00 45.85 O +ATOM 3662 N GLY B 114 52.692 15.773 -21.009 1.00 45.62 N +ATOM 3663 CA GLY B 114 53.976 15.117 -21.197 1.00 45.73 C +ATOM 3664 C GLY B 114 55.256 15.941 -21.102 1.00 46.41 C +ATOM 3665 O GLY B 114 56.221 15.509 -20.474 1.00 46.29 O +ATOM 3666 N PHE B 115 55.271 17.124 -21.716 1.00 46.63 N +ATOM 3667 CA PHE B 115 56.469 17.976 -21.725 1.00 47.33 C +ATOM 3668 C PHE B 115 56.942 18.317 -20.337 1.00 47.50 C +ATOM 3669 O PHE B 115 58.116 18.084 -20.006 1.00 48.05 O +ATOM 3670 CB PHE B 115 56.219 19.289 -22.471 1.00 47.33 C +ATOM 3671 CG PHE B 115 57.355 20.267 -22.357 1.00 47.72 C +ATOM 3672 CD1 PHE B 115 58.497 20.114 -23.127 1.00 48.06 C +ATOM 3673 CD2 PHE B 115 57.294 21.317 -21.450 1.00 47.60 C +ATOM 3674 CE1 PHE B 115 59.554 20.983 -22.999 1.00 47.35 C +ATOM 3675 CE2 PHE B 115 58.349 22.188 -21.318 1.00 47.17 C +ATOM 3676 CZ PHE B 115 59.483 22.022 -22.094 1.00 47.20 C +ATOM 3677 N PHE B 116 56.047 18.893 -19.542 1.00 46.82 N +ATOM 3678 CA PHE B 116 56.384 19.301 -18.189 1.00 46.25 C +ATOM 3679 C PHE B 116 56.739 18.153 -17.310 1.00 45.89 C +ATOM 3680 O PHE B 116 57.668 18.283 -16.526 1.00 45.54 O +ATOM 3681 CB PHE B 116 55.245 20.113 -17.591 1.00 45.78 C +ATOM 3682 CG PHE B 116 55.170 21.478 -18.152 1.00 45.51 C +ATOM 3683 CD1 PHE B 116 56.263 22.335 -18.033 1.00 45.25 C +ATOM 3684 CD2 PHE B 116 54.055 21.894 -18.864 1.00 45.71 C +ATOM 3685 CE1 PHE B 116 56.248 23.575 -18.612 1.00 44.19 C +ATOM 3686 CE2 PHE B 116 54.025 23.149 -19.459 1.00 45.06 C +ATOM 3687 CZ PHE B 116 55.129 23.992 -19.333 1.00 44.27 C +ATOM 3688 N ALA B 117 56.023 17.042 -17.423 1.00 45.40 N +ATOM 3689 CA ALA B 117 56.337 15.897 -16.602 1.00 45.32 C +ATOM 3690 C ALA B 117 57.717 15.421 -16.992 1.00 45.75 C +ATOM 3691 O ALA B 117 58.470 14.906 -16.157 1.00 46.21 O +ATOM 3692 CB ALA B 117 55.305 14.809 -16.818 1.00 44.97 C +ATOM 3693 N THR B 118 58.062 15.615 -18.260 1.00 46.06 N +ATOM 3694 CA THR B 118 59.361 15.204 -18.751 1.00 47.01 C +ATOM 3695 C THR B 118 60.393 16.268 -18.431 1.00 47.59 C +ATOM 3696 O THR B 118 61.502 15.934 -18.009 1.00 48.51 O +ATOM 3697 CB THR B 118 59.321 14.980 -20.248 1.00 47.26 C +ATOM 3698 OG1 THR B 118 58.354 13.965 -20.545 1.00 49.00 O +ATOM 3699 CG2 THR B 118 60.678 14.531 -20.742 1.00 48.04 C +ATOM 3700 N LEU B 119 60.051 17.535 -18.637 1.00 47.57 N +ATOM 3701 CA LEU B 119 60.975 18.612 -18.321 1.00 48.25 C +ATOM 3702 C LEU B 119 61.363 18.478 -16.845 1.00 48.42 C +ATOM 3703 O LEU B 119 62.543 18.542 -16.492 1.00 48.49 O +ATOM 3704 CB LEU B 119 60.299 19.967 -18.552 1.00 49.29 C +ATOM 3705 CG LEU B 119 61.079 21.149 -19.157 1.00 49.94 C +ATOM 3706 CD1 LEU B 119 60.573 22.429 -18.505 1.00 49.31 C +ATOM 3707 CD2 LEU B 119 62.584 20.997 -18.953 1.00 50.14 C +ATOM 3708 N GLY B 120 60.357 18.269 -15.998 1.00 48.30 N +ATOM 3709 CA GLY B 120 60.571 18.130 -14.567 1.00 47.57 C +ATOM 3710 C GLY B 120 61.428 16.959 -14.112 1.00 48.03 C +ATOM 3711 O GLY B 120 62.316 17.139 -13.272 1.00 48.82 O +ATOM 3712 N GLY B 121 61.161 15.764 -14.636 1.00 48.07 N +ATOM 3713 CA GLY B 121 61.944 14.591 -14.261 1.00 48.69 C +ATOM 3714 C GLY B 121 63.396 14.614 -14.739 1.00 49.60 C +ATOM 3715 O GLY B 121 64.305 14.182 -14.011 1.00 49.48 O +ATOM 3716 N GLU B 122 63.623 15.106 -15.959 1.00 50.20 N +ATOM 3717 CA GLU B 122 64.967 15.182 -16.507 1.00 51.20 C +ATOM 3718 C GLU B 122 65.778 16.275 -15.808 1.00 51.72 C +ATOM 3719 O GLU B 122 66.979 16.098 -15.606 1.00 52.45 O +ATOM 3720 CB GLU B 122 64.909 15.401 -18.013 1.00 51.19 C +ATOM 3721 CG GLU B 122 64.750 14.103 -18.809 1.00 53.05 C +ATOM 3722 CD GLU B 122 65.939 13.130 -18.650 1.00 54.87 C +ATOM 3723 OE1 GLU B 122 67.103 13.589 -18.643 1.00 56.61 O +ATOM 3724 OE2 GLU B 122 65.728 11.898 -18.552 1.00 54.58 O +ATOM 3725 N ILE B 123 65.161 17.401 -15.454 1.00 51.49 N +ATOM 3726 CA ILE B 123 65.904 18.423 -14.731 1.00 51.07 C +ATOM 3727 C ILE B 123 66.383 17.788 -13.452 1.00 51.00 C +ATOM 3728 O ILE B 123 67.468 18.075 -12.975 1.00 51.18 O +ATOM 3729 CB ILE B 123 65.020 19.623 -14.372 1.00 50.75 C +ATOM 3730 CG1 ILE B 123 64.944 20.575 -15.557 1.00 50.27 C +ATOM 3731 CG2 ILE B 123 65.568 20.345 -13.149 1.00 50.69 C +ATOM 3732 CD1 ILE B 123 64.030 21.756 -15.306 1.00 51.18 C +ATOM 3733 N ALA B 124 65.565 16.897 -12.916 1.00 50.87 N +ATOM 3734 CA ALA B 124 65.879 16.211 -11.679 1.00 50.87 C +ATOM 3735 C ALA B 124 67.022 15.264 -11.877 1.00 51.61 C +ATOM 3736 O ALA B 124 67.832 15.113 -10.984 1.00 52.55 O +ATOM 3737 CB ALA B 124 64.654 15.459 -11.174 1.00 50.11 C +ATOM 3738 N LEU B 125 67.104 14.615 -13.028 1.00 52.52 N +ATOM 3739 CA LEU B 125 68.193 13.670 -13.254 1.00 53.65 C +ATOM 3740 C LEU B 125 69.481 14.421 -13.525 1.00 55.33 C +ATOM 3741 O LEU B 125 70.539 14.015 -13.035 1.00 56.04 O +ATOM 3742 CB LEU B 125 67.870 12.735 -14.426 1.00 52.50 C +ATOM 3743 CG LEU B 125 68.936 11.719 -14.850 1.00 51.10 C +ATOM 3744 CD1 LEU B 125 69.277 10.801 -13.697 1.00 50.68 C +ATOM 3745 CD2 LEU B 125 68.434 10.919 -16.049 1.00 51.44 C +ATOM 3746 N TRP B 126 69.411 15.510 -14.287 1.00 56.35 N +ATOM 3747 CA TRP B 126 70.620 16.270 -14.583 1.00 57.64 C +ATOM 3748 C TRP B 126 71.157 16.895 -13.316 1.00 57.55 C +ATOM 3749 O TRP B 126 72.351 16.764 -13.040 1.00 57.61 O +ATOM 3750 CB TRP B 126 70.353 17.314 -15.687 1.00 59.09 C +ATOM 3751 CG TRP B 126 70.219 16.619 -16.996 1.00 61.19 C +ATOM 3752 CD1 TRP B 126 69.069 16.415 -17.714 1.00 62.01 C +ATOM 3753 CD2 TRP B 126 71.226 15.826 -17.629 1.00 62.21 C +ATOM 3754 NE1 TRP B 126 69.301 15.527 -18.740 1.00 62.01 N +ATOM 3755 CE2 TRP B 126 70.617 15.150 -18.707 1.00 62.36 C +ATOM 3756 CE3 TRP B 126 72.586 15.615 -17.379 1.00 62.98 C +ATOM 3757 CZ2 TRP B 126 71.322 14.278 -19.531 1.00 63.28 C +ATOM 3758 CZ3 TRP B 126 73.284 14.751 -18.199 1.00 63.27 C +ATOM 3759 CH2 TRP B 126 72.650 14.092 -19.262 1.00 63.65 C +ATOM 3760 N SER B 127 70.288 17.533 -12.534 1.00 57.29 N +ATOM 3761 CA SER B 127 70.702 18.147 -11.276 1.00 57.13 C +ATOM 3762 C SER B 127 71.329 17.104 -10.351 1.00 57.68 C +ATOM 3763 O SER B 127 72.073 17.467 -9.447 1.00 58.05 O +ATOM 3764 CB SER B 127 69.505 18.803 -10.581 1.00 55.89 C +ATOM 3765 OG SER B 127 68.999 19.881 -11.349 1.00 55.53 O +ATOM 3766 N LEU B 128 71.040 15.822 -10.572 1.00 58.30 N +ATOM 3767 CA LEU B 128 71.595 14.761 -9.730 1.00 58.98 C +ATOM 3768 C LEU B 128 73.024 14.487 -10.132 1.00 59.81 C +ATOM 3769 O LEU B 128 73.793 13.945 -9.344 1.00 60.24 O +ATOM 3770 CB LEU B 128 70.743 13.476 -9.826 1.00 58.82 C +ATOM 3771 CG LEU B 128 69.506 13.334 -8.903 1.00 59.32 C +ATOM 3772 CD1 LEU B 128 68.726 12.057 -9.215 1.00 59.68 C +ATOM 3773 CD2 LEU B 128 69.955 13.297 -7.439 1.00 59.75 C +ATOM 3774 N VAL B 129 73.390 14.851 -11.354 1.00 60.51 N +ATOM 3775 CA VAL B 129 74.763 14.654 -11.800 1.00 60.86 C +ATOM 3776 C VAL B 129 75.576 15.850 -11.308 1.00 60.78 C +ATOM 3777 O VAL B 129 76.688 15.674 -10.781 1.00 60.70 O +ATOM 3778 CB VAL B 129 74.840 14.554 -13.335 1.00 60.77 C +ATOM 3779 CG1 VAL B 129 76.256 14.216 -13.761 1.00 60.01 C +ATOM 3780 CG2 VAL B 129 73.877 13.485 -13.826 1.00 61.40 C +ATOM 3781 N VAL B 130 75.007 17.048 -11.470 1.00 60.08 N +ATOM 3782 CA VAL B 130 75.638 18.284 -11.025 1.00 59.51 C +ATOM 3783 C VAL B 130 76.024 18.113 -9.578 1.00 60.71 C +ATOM 3784 O VAL B 130 77.044 18.630 -9.161 1.00 60.96 O +ATOM 3785 CB VAL B 130 74.668 19.490 -11.156 1.00 58.66 C +ATOM 3786 CG1 VAL B 130 75.221 20.700 -10.438 1.00 57.69 C +ATOM 3787 CG2 VAL B 130 74.453 19.822 -12.617 1.00 57.75 C +ATOM 3788 N LEU B 131 75.214 17.373 -8.825 1.00 61.63 N +ATOM 3789 CA LEU B 131 75.469 17.114 -7.412 1.00 62.70 C +ATOM 3790 C LEU B 131 76.498 16.034 -7.258 1.00 64.00 C +ATOM 3791 O LEU B 131 77.316 16.126 -6.352 1.00 64.67 O +ATOM 3792 CB LEU B 131 74.194 16.663 -6.697 1.00 62.19 C +ATOM 3793 CG LEU B 131 73.292 17.680 -5.999 1.00 61.40 C +ATOM 3794 CD1 LEU B 131 72.904 18.762 -6.954 1.00 61.57 C +ATOM 3795 CD2 LEU B 131 72.058 16.977 -5.476 1.00 62.06 C +ATOM 3796 N ALA B 132 76.440 15.003 -8.103 1.00 65.38 N +ATOM 3797 CA ALA B 132 77.400 13.898 -8.044 1.00 67.00 C +ATOM 3798 C ALA B 132 78.768 14.505 -8.164 1.00 68.20 C +ATOM 3799 O ALA B 132 79.672 14.180 -7.404 1.00 68.23 O +ATOM 3800 CB ALA B 132 77.162 12.914 -9.194 1.00 66.00 C +ATOM 3801 N ILE B 133 78.886 15.425 -9.113 1.00 69.31 N +ATOM 3802 CA ILE B 133 80.127 16.122 -9.379 1.00 70.50 C +ATOM 3803 C ILE B 133 80.533 16.989 -8.212 1.00 71.32 C +ATOM 3804 O ILE B 133 81.528 16.690 -7.562 1.00 71.59 O +ATOM 3805 CB ILE B 133 79.984 16.958 -10.665 1.00 70.37 C +ATOM 3806 CG1 ILE B 133 79.882 15.996 -11.843 1.00 70.18 C +ATOM 3807 CG2 ILE B 133 81.141 17.927 -10.824 1.00 70.46 C +ATOM 3808 CD1 ILE B 133 80.731 14.716 -11.657 1.00 70.12 C +ATOM 3809 N GLU B 134 79.778 18.046 -7.939 1.00 71.74 N +ATOM 3810 CA GLU B 134 80.105 18.931 -6.840 1.00 72.45 C +ATOM 3811 C GLU B 134 80.445 18.126 -5.617 1.00 73.34 C +ATOM 3812 O GLU B 134 81.281 18.542 -4.842 1.00 73.42 O +ATOM 3813 CB GLU B 134 78.936 19.862 -6.543 1.00 72.72 C +ATOM 3814 CG GLU B 134 79.248 20.933 -5.505 1.00 74.79 C +ATOM 3815 CD GLU B 134 78.844 20.542 -4.083 1.00 76.27 C +ATOM 3816 OE1 GLU B 134 79.077 19.374 -3.688 1.00 76.86 O +ATOM 3817 OE2 GLU B 134 78.301 21.413 -3.354 1.00 76.74 O +ATOM 3818 N ARG B 135 79.815 16.970 -5.449 1.00 74.44 N +ATOM 3819 CA ARG B 135 80.064 16.116 -4.285 1.00 75.76 C +ATOM 3820 C ARG B 135 81.461 15.521 -4.352 1.00 77.06 C +ATOM 3821 O ARG B 135 82.149 15.448 -3.343 1.00 77.47 O +ATOM 3822 CB ARG B 135 79.041 14.980 -4.238 1.00 75.53 C +ATOM 3823 CG ARG B 135 78.754 14.461 -2.850 1.00 75.10 C +ATOM 3824 CD ARG B 135 77.658 15.281 -2.221 1.00 75.52 C +ATOM 3825 NE ARG B 135 77.945 16.719 -2.207 1.00 74.97 N +ATOM 3826 CZ ARG B 135 78.592 17.357 -1.230 1.00 74.59 C +ATOM 3827 NH1 ARG B 135 79.040 16.686 -0.172 1.00 73.76 N +ATOM 3828 NH2 ARG B 135 78.761 18.674 -1.291 1.00 73.72 N +ATOM 3829 N TYR B 136 81.857 15.077 -5.541 1.00 78.40 N +ATOM 3830 CA TYR B 136 83.168 14.469 -5.781 1.00 79.94 C +ATOM 3831 C TYR B 136 84.235 15.536 -5.737 1.00 81.06 C +ATOM 3832 O TYR B 136 85.385 15.258 -5.431 1.00 80.63 O +ATOM 3833 CB TYR B 136 83.179 13.807 -7.158 1.00 80.04 C +ATOM 3834 CG TYR B 136 84.545 13.383 -7.631 1.00 80.27 C +ATOM 3835 CD1 TYR B 136 85.087 12.161 -7.242 1.00 80.16 C +ATOM 3836 CD2 TYR B 136 85.303 14.215 -8.456 1.00 80.24 C +ATOM 3837 CE1 TYR B 136 86.358 11.768 -7.666 1.00 80.76 C +ATOM 3838 CE2 TYR B 136 86.575 13.839 -8.887 1.00 80.79 C +ATOM 3839 CZ TYR B 136 87.103 12.610 -8.489 1.00 81.36 C +ATOM 3840 OH TYR B 136 88.369 12.233 -8.907 1.00 81.70 O +ATOM 3841 N VAL B 137 83.839 16.757 -6.061 1.00 82.25 N +ATOM 3842 CA VAL B 137 84.741 17.894 -6.080 1.00 83.70 C +ATOM 3843 C VAL B 137 84.997 18.413 -4.666 1.00 84.55 C +ATOM 3844 O VAL B 137 85.914 19.213 -4.477 1.00 84.48 O +ATOM 3845 CB VAL B 137 84.151 19.032 -6.955 1.00 84.01 C +ATOM 3846 CG1 VAL B 137 85.065 20.253 -6.938 1.00 84.71 C +ATOM 3847 CG2 VAL B 137 83.954 18.527 -8.375 1.00 84.24 C +ATOM 3848 N VAL B 138 84.206 17.983 -3.683 1.00 85.26 N +ATOM 3849 CA VAL B 138 84.423 18.446 -2.313 1.00 86.33 C +ATOM 3850 C VAL B 138 84.890 17.305 -1.457 1.00 87.18 C +ATOM 3851 O VAL B 138 85.557 17.518 -0.469 1.00 87.36 O +ATOM 3852 CB VAL B 138 83.145 19.046 -1.676 1.00 85.58 C +ATOM 3853 CG1 VAL B 138 82.598 20.160 -2.551 1.00 85.24 C +ATOM 3854 CG2 VAL B 138 82.118 17.958 -1.444 1.00 85.70 C +ATOM 3855 N VAL B 139 84.550 16.087 -1.834 1.00 89.01 N +ATOM 3856 CA VAL B 139 84.967 14.949 -1.043 1.00 91.63 C +ATOM 3857 C VAL B 139 86.272 14.398 -1.552 1.00 93.94 C +ATOM 3858 O VAL B 139 87.103 13.999 -0.751 1.00 94.17 O +ATOM 3859 CB VAL B 139 83.911 13.851 -1.067 1.00 91.61 C +ATOM 3860 CG1 VAL B 139 84.461 12.593 -0.420 1.00 91.25 C +ATOM 3861 CG2 VAL B 139 82.663 14.335 -0.350 1.00 91.25 C +ATOM 3862 N CYS B 140 86.454 14.365 -2.870 1.00 96.68 N +ATOM 3863 CA CYS B 140 87.697 13.853 -3.464 1.00 99.52 C +ATOM 3864 C CYS B 140 88.534 15.014 -3.998 1.00100.85 C +ATOM 3865 O CYS B 140 89.507 14.782 -4.725 1.00101.16 O +ATOM 3866 CB CYS B 140 87.392 12.874 -4.613 1.00 99.59 C +ATOM 3867 SG CYS B 140 86.499 11.357 -4.144 1.00103.41 S +ATOM 3868 N LYS B 141 88.144 16.237 -3.632 1.00102.72 N +ATOM 3869 CA LYS B 141 88.794 17.490 -4.043 1.00104.27 C +ATOM 3870 C LYS B 141 90.020 17.278 -4.931 1.00105.81 C +ATOM 3871 O LYS B 141 91.137 17.160 -4.409 1.00105.60 O +ATOM 3872 CB LYS B 141 89.206 18.314 -2.810 1.00103.93 C +ATOM 3873 CG LYS B 141 89.751 19.694 -3.170 1.00103.47 C +ATOM 3874 CD LYS B 141 90.298 20.448 -1.978 1.00103.18 C +ATOM 3875 CE LYS B 141 90.938 21.749 -2.442 1.00103.14 C +ATOM 3876 NZ LYS B 141 91.606 22.489 -1.336 1.00102.55 N +ATOM 3877 N PRO B 142 89.836 17.218 -6.271 1.00107.35 N +ATOM 3878 CA PRO B 142 90.982 17.023 -7.177 1.00108.24 C +ATOM 3879 C PRO B 142 91.756 18.332 -7.414 1.00109.19 C +ATOM 3880 O PRO B 142 92.736 18.348 -8.177 1.00109.27 O +ATOM 3881 CB PRO B 142 90.330 16.497 -8.465 1.00108.13 C +ATOM 3882 CG PRO B 142 89.037 15.885 -7.990 1.00108.10 C +ATOM 3883 CD PRO B 142 88.576 16.906 -6.971 1.00107.73 C +ATOM 3884 N MET B 143 91.321 19.407 -6.755 1.00109.88 N +ATOM 3885 CA MET B 143 91.951 20.715 -6.906 1.00110.66 C +ATOM 3886 C MET B 143 92.843 21.078 -5.741 1.00110.94 C +ATOM 3887 O MET B 143 93.114 20.246 -4.866 1.00110.90 O +ATOM 3888 CB MET B 143 90.888 21.800 -7.106 1.00110.60 C +ATOM 3889 CG MET B 143 90.997 22.459 -8.463 1.00111.70 C +ATOM 3890 SD MET B 143 91.060 21.202 -9.763 1.00114.92 S +ATOM 3891 CE MET B 143 92.889 20.868 -9.920 1.00113.69 C +ATOM 3892 N SER B 144 93.296 22.333 -5.743 1.00111.23 N +ATOM 3893 CA SER B 144 94.187 22.858 -4.712 1.00110.88 C +ATOM 3894 C SER B 144 93.452 23.856 -3.823 1.00110.57 C +ATOM 3895 O SER B 144 93.318 23.621 -2.621 1.00110.06 O +ATOM 3896 CB SER B 144 95.405 23.515 -5.377 1.00110.81 C +ATOM 3897 OG SER B 144 96.072 22.595 -6.234 1.00110.12 O +ATOM 3898 N ASN B 145 92.992 24.963 -4.396 1.00110.25 N +ATOM 3899 CA ASN B 145 92.256 25.967 -3.624 1.00110.00 C +ATOM 3900 C ASN B 145 91.039 26.402 -4.417 1.00109.75 C +ATOM 3901 O ASN B 145 90.620 27.568 -4.333 1.00109.60 O +ATOM 3902 CB ASN B 145 93.154 27.172 -3.302 1.00110.02 C +ATOM 3903 CG ASN B 145 93.635 27.897 -4.549 1.00110.33 C +ATOM 3904 OD1 ASN B 145 93.981 27.267 -5.553 1.00110.29 O +ATOM 3905 ND2 ASN B 145 93.673 29.227 -4.485 1.00109.94 N +ATOM 3906 N PHE B 146 90.478 25.454 -5.174 1.00109.42 N +ATOM 3907 CA PHE B 146 89.294 25.672 -6.013 1.00108.67 C +ATOM 3908 C PHE B 146 88.010 25.617 -5.180 1.00108.03 C +ATOM 3909 O PHE B 146 87.764 24.632 -4.468 1.00107.98 O +ATOM 3910 CB PHE B 146 89.231 24.614 -7.125 1.00108.64 C +ATOM 3911 CG PHE B 146 87.982 24.684 -7.956 1.00108.64 C +ATOM 3912 CD1 PHE B 146 87.708 25.809 -8.734 1.00108.92 C +ATOM 3913 CD2 PHE B 146 87.056 23.645 -7.925 1.00108.65 C +ATOM 3914 CE1 PHE B 146 86.524 25.899 -9.469 1.00108.81 C +ATOM 3915 CE2 PHE B 146 85.868 23.728 -8.657 1.00108.57 C +ATOM 3916 CZ PHE B 146 85.601 24.854 -9.429 1.00108.28 C +ATOM 3917 N ARG B 147 87.196 26.668 -5.280 1.00106.70 N +ATOM 3918 CA ARG B 147 85.945 26.737 -4.542 1.00104.93 C +ATOM 3919 C ARG B 147 84.796 26.794 -5.538 1.00103.60 C +ATOM 3920 O ARG B 147 84.828 27.598 -6.476 1.00103.78 O +ATOM 3921 CB ARG B 147 85.938 27.977 -3.640 1.00105.05 C +ATOM 3922 CG ARG B 147 85.148 27.821 -2.348 1.00105.06 C +ATOM 3923 CD ARG B 147 84.666 29.175 -1.880 1.00105.19 C +ATOM 3924 NE ARG B 147 83.647 29.712 -2.779 1.00105.49 N +ATOM 3925 CZ ARG B 147 83.276 30.987 -2.823 1.00105.59 C +ATOM 3926 NH1 ARG B 147 83.844 31.874 -2.022 1.00105.47 N +ATOM 3927 NH2 ARG B 147 82.331 31.377 -3.667 1.00105.33 N +ATOM 3928 N PHE B 148 83.799 25.935 -5.330 1.00101.49 N +ATOM 3929 CA PHE B 148 82.617 25.837 -6.184 1.00 99.08 C +ATOM 3930 C PHE B 148 81.685 27.002 -5.902 1.00 97.12 C +ATOM 3931 O PHE B 148 80.598 26.804 -5.371 1.00 96.91 O +ATOM 3932 CB PHE B 148 81.906 24.523 -5.882 1.00 99.99 C +ATOM 3933 CG PHE B 148 81.304 23.860 -7.083 1.00101.11 C +ATOM 3934 CD1 PHE B 148 80.194 24.410 -7.731 1.00101.15 C +ATOM 3935 CD2 PHE B 148 81.836 22.660 -7.556 1.00101.67 C +ATOM 3936 CE1 PHE B 148 79.616 23.767 -8.837 1.00101.78 C +ATOM 3937 CE2 PHE B 148 81.270 22.006 -8.660 1.00102.18 C +ATOM 3938 CZ PHE B 148 80.155 22.563 -9.303 1.00102.35 C +ATOM 3939 N GLY B 149 82.100 28.210 -6.263 1.00 94.93 N +ATOM 3940 CA GLY B 149 81.280 29.378 -6.001 1.00 92.49 C +ATOM 3941 C GLY B 149 79.882 29.345 -6.582 1.00 90.78 C +ATOM 3942 O GLY B 149 79.498 28.407 -7.277 1.00 89.89 O +ATOM 3943 N GLU B 150 79.118 30.390 -6.278 1.00 89.80 N +ATOM 3944 CA GLU B 150 77.757 30.527 -6.775 1.00 89.02 C +ATOM 3945 C GLU B 150 77.791 30.524 -8.289 1.00 88.54 C +ATOM 3946 O GLU B 150 76.829 30.093 -8.923 1.00 89.00 O +ATOM 3947 CB GLU B 150 77.125 31.835 -6.265 1.00 88.70 C +ATOM 3948 CG GLU B 150 76.764 31.817 -4.775 1.00 88.48 C +ATOM 3949 CD GLU B 150 76.220 33.149 -4.250 1.00 88.72 C +ATOM 3950 OE1 GLU B 150 75.201 33.653 -4.780 1.00 88.77 O +ATOM 3951 OE2 GLU B 150 76.812 33.690 -3.288 1.00 88.60 O +ATOM 3952 N ASN B 151 78.898 30.988 -8.868 1.00 87.87 N +ATOM 3953 CA ASN B 151 79.032 31.034 -10.321 1.00 86.84 C +ATOM 3954 C ASN B 151 79.012 29.625 -10.910 1.00 85.29 C +ATOM 3955 O ASN B 151 78.344 29.406 -11.910 1.00 85.15 O +ATOM 3956 CB ASN B 151 80.312 31.793 -10.734 1.00 87.84 C +ATOM 3957 CG ASN B 151 81.602 31.090 -10.301 1.00 88.88 C +ATOM 3958 OD1 ASN B 151 81.931 31.023 -9.110 1.00 89.41 O +ATOM 3959 ND2 ASN B 151 82.342 30.571 -11.280 1.00 89.30 N +ATOM 3960 N HIS B 152 79.716 28.674 -10.308 1.00 83.42 N +ATOM 3961 CA HIS B 152 79.690 27.320 -10.839 1.00 82.01 C +ATOM 3962 C HIS B 152 78.291 26.742 -10.636 1.00 80.87 C +ATOM 3963 O HIS B 152 77.910 25.791 -11.320 1.00 81.00 O +ATOM 3964 CB HIS B 152 80.705 26.434 -10.124 1.00 82.54 C +ATOM 3965 CG HIS B 152 82.118 26.916 -10.219 1.00 84.10 C +ATOM 3966 ND1 HIS B 152 82.583 28.012 -9.519 1.00 84.53 N +ATOM 3967 CD2 HIS B 152 83.176 26.440 -10.918 1.00 84.36 C +ATOM 3968 CE1 HIS B 152 83.866 28.187 -9.783 1.00 84.66 C +ATOM 3969 NE2 HIS B 152 84.251 27.247 -10.629 1.00 84.63 N +ATOM 3970 N ALA B 153 77.533 27.318 -9.702 1.00 79.31 N +ATOM 3971 CA ALA B 153 76.183 26.859 -9.398 1.00 77.11 C +ATOM 3972 C ALA B 153 75.207 27.300 -10.459 1.00 75.93 C +ATOM 3973 O ALA B 153 74.397 26.492 -10.868 1.00 76.24 O +ATOM 3974 CB ALA B 153 75.745 27.374 -8.043 1.00 77.42 C +ATOM 3975 N ILE B 154 75.252 28.555 -10.899 1.00 74.12 N +ATOM 3976 CA ILE B 154 74.319 28.997 -11.936 1.00 73.22 C +ATOM 3977 C ILE B 154 74.639 28.280 -13.232 1.00 73.20 C +ATOM 3978 O ILE B 154 73.786 28.199 -14.116 1.00 73.33 O +ATOM 3979 CB ILE B 154 74.388 30.526 -12.180 1.00 72.59 C +ATOM 3980 CG1 ILE B 154 73.772 31.277 -11.005 1.00 72.16 C +ATOM 3981 CG2 ILE B 154 73.616 30.899 -13.437 1.00 72.34 C +ATOM 3982 CD1 ILE B 154 74.514 31.122 -9.714 1.00 71.82 C +ATOM 3983 N MET B 155 75.860 27.764 -13.345 1.00 73.19 N +ATOM 3984 CA MET B 155 76.281 27.034 -14.536 1.00 73.35 C +ATOM 3985 C MET B 155 75.629 25.679 -14.515 1.00 72.54 C +ATOM 3986 O MET B 155 74.899 25.347 -15.450 1.00 72.64 O +ATOM 3987 CB MET B 155 77.804 26.871 -14.567 1.00 75.15 C +ATOM 3988 CG MET B 155 78.578 28.184 -14.708 1.00 77.34 C +ATOM 3989 SD MET B 155 78.201 29.097 -16.239 1.00 81.84 S +ATOM 3990 CE MET B 155 76.671 30.038 -15.807 1.00 80.36 C +ATOM 3991 N GLY B 156 75.892 24.908 -13.457 1.00 71.54 N +ATOM 3992 CA GLY B 156 75.303 23.583 -13.299 1.00 70.35 C +ATOM 3993 C GLY B 156 73.778 23.596 -13.273 1.00 69.43 C +ATOM 3994 O GLY B 156 73.148 22.550 -13.369 1.00 70.07 O +ATOM 3995 N VAL B 157 73.192 24.782 -13.115 1.00 68.04 N +ATOM 3996 CA VAL B 157 71.747 24.951 -13.116 1.00 66.73 C +ATOM 3997 C VAL B 157 71.305 25.036 -14.557 1.00 66.37 C +ATOM 3998 O VAL B 157 70.538 24.199 -15.029 1.00 67.31 O +ATOM 3999 CB VAL B 157 71.323 26.246 -12.368 1.00 66.10 C +ATOM 4000 CG1 VAL B 157 69.987 26.744 -12.876 1.00 66.10 C +ATOM 4001 CG2 VAL B 157 71.205 25.966 -10.886 1.00 66.01 C +ATOM 4002 N ALA B 158 71.795 26.043 -15.265 1.00 65.47 N +ATOM 4003 CA ALA B 158 71.442 26.219 -16.668 1.00 63.81 C +ATOM 4004 C ALA B 158 71.760 24.950 -17.438 1.00 62.88 C +ATOM 4005 O ALA B 158 71.041 24.601 -18.369 1.00 62.61 O +ATOM 4006 CB ALA B 158 72.209 27.388 -17.245 1.00 63.44 C +ATOM 4007 N PHE B 159 72.828 24.266 -17.042 1.00 61.95 N +ATOM 4008 CA PHE B 159 73.253 23.029 -17.689 1.00 61.73 C +ATOM 4009 C PHE B 159 72.156 21.999 -17.655 1.00 62.20 C +ATOM 4010 O PHE B 159 71.970 21.276 -18.644 1.00 62.46 O +ATOM 4011 CB PHE B 159 74.464 22.464 -16.971 1.00 61.30 C +ATOM 4012 CG PHE B 159 74.670 21.009 -17.205 1.00 61.05 C +ATOM 4013 CD1 PHE B 159 75.151 20.549 -18.421 1.00 61.61 C +ATOM 4014 CD2 PHE B 159 74.398 20.095 -16.202 1.00 61.27 C +ATOM 4015 CE1 PHE B 159 75.364 19.191 -18.633 1.00 61.86 C +ATOM 4016 CE2 PHE B 159 74.606 18.740 -16.401 1.00 61.73 C +ATOM 4017 CZ PHE B 159 75.093 18.283 -17.621 1.00 61.87 C +ATOM 4018 N THR B 160 71.461 21.915 -16.518 1.00 62.23 N +ATOM 4019 CA THR B 160 70.371 20.959 -16.326 1.00 61.17 C +ATOM 4020 C THR B 160 69.185 21.340 -17.207 1.00 60.77 C +ATOM 4021 O THR B 160 68.516 20.445 -17.741 1.00 61.01 O +ATOM 4022 CB THR B 160 69.921 20.860 -14.814 1.00 60.78 C +ATOM 4023 OG1 THR B 160 69.398 22.116 -14.362 1.00 59.48 O +ATOM 4024 CG2 THR B 160 71.080 20.449 -13.932 1.00 58.97 C +ATOM 4025 N TRP B 161 68.929 22.637 -17.375 1.00 59.54 N +ATOM 4026 CA TRP B 161 67.822 23.065 -18.218 1.00 59.00 C +ATOM 4027 C TRP B 161 68.132 22.836 -19.670 1.00 58.54 C +ATOM 4028 O TRP B 161 67.233 22.755 -20.481 1.00 58.36 O +ATOM 4029 CB TRP B 161 67.523 24.538 -18.022 1.00 59.01 C +ATOM 4030 CG TRP B 161 66.728 24.833 -16.807 1.00 59.58 C +ATOM 4031 CD1 TRP B 161 67.203 25.033 -15.541 1.00 59.70 C +ATOM 4032 CD2 TRP B 161 65.298 24.973 -16.731 1.00 59.58 C +ATOM 4033 NE1 TRP B 161 66.157 25.294 -14.682 1.00 59.93 N +ATOM 4034 CE2 TRP B 161 64.977 25.261 -15.385 1.00 59.50 C +ATOM 4035 CE3 TRP B 161 64.256 24.882 -17.670 1.00 59.55 C +ATOM 4036 CZ2 TRP B 161 63.656 25.460 -14.954 1.00 59.09 C +ATOM 4037 CZ3 TRP B 161 62.944 25.081 -17.239 1.00 59.15 C +ATOM 4038 CH2 TRP B 161 62.658 25.367 -15.891 1.00 58.63 C +ATOM 4039 N VAL B 162 69.405 22.746 -20.007 1.00 58.33 N +ATOM 4040 CA VAL B 162 69.777 22.540 -21.391 1.00 58.39 C +ATOM 4041 C VAL B 162 69.592 21.116 -21.745 1.00 58.20 C +ATOM 4042 O VAL B 162 69.190 20.808 -22.848 1.00 58.48 O +ATOM 4043 CB VAL B 162 71.228 22.891 -21.632 1.00 58.48 C +ATOM 4044 CG1 VAL B 162 71.592 22.581 -23.073 1.00 58.80 C +ATOM 4045 CG2 VAL B 162 71.455 24.352 -21.315 1.00 58.25 C +ATOM 4046 N MET B 163 69.915 20.242 -20.809 1.00 58.22 N +ATOM 4047 CA MET B 163 69.770 18.820 -21.030 1.00 58.32 C +ATOM 4048 C MET B 163 68.302 18.475 -21.000 1.00 58.09 C +ATOM 4049 O MET B 163 67.789 17.866 -21.946 1.00 57.55 O +ATOM 4050 CB MET B 163 70.514 18.068 -19.940 1.00 59.37 C +ATOM 4051 CG MET B 163 71.942 18.512 -19.812 1.00 61.29 C +ATOM 4052 SD MET B 163 72.697 18.501 -21.439 1.00 63.76 S +ATOM 4053 CE MET B 163 73.150 16.725 -21.561 1.00 61.63 C +ATOM 4054 N ALA B 164 67.628 18.872 -19.923 1.00 57.80 N +ATOM 4055 CA ALA B 164 66.207 18.614 -19.767 1.00 57.12 C +ATOM 4056 C ALA B 164 65.489 19.000 -21.032 1.00 57.07 C +ATOM 4057 O ALA B 164 64.724 18.207 -21.555 1.00 57.66 O +ATOM 4058 CB ALA B 164 65.668 19.395 -18.599 1.00 56.94 C +ATOM 4059 N LEU B 165 65.736 20.202 -21.538 1.00 56.64 N +ATOM 4060 CA LEU B 165 65.079 20.641 -22.764 1.00 56.57 C +ATOM 4061 C LEU B 165 65.476 19.768 -23.938 1.00 57.00 C +ATOM 4062 O LEU B 165 64.627 19.422 -24.772 1.00 57.14 O +ATOM 4063 CB LEU B 165 65.424 22.095 -23.083 1.00 56.17 C +ATOM 4064 CG LEU B 165 64.533 23.194 -22.498 1.00 56.12 C +ATOM 4065 CD1 LEU B 165 63.089 22.996 -22.930 1.00 56.19 C +ATOM 4066 CD2 LEU B 165 64.629 23.164 -21.005 1.00 56.80 C +ATOM 4067 N ALA B 166 66.756 19.419 -24.009 1.00 57.06 N +ATOM 4068 CA ALA B 166 67.267 18.590 -25.091 1.00 56.94 C +ATOM 4069 C ALA B 166 66.391 17.376 -25.243 1.00 57.31 C +ATOM 4070 O ALA B 166 66.284 16.832 -26.339 1.00 57.71 O +ATOM 4071 CB ALA B 166 68.692 18.170 -24.796 1.00 56.58 C +ATOM 4072 N CYS B 167 65.766 16.947 -24.152 1.00 57.16 N +ATOM 4073 CA CYS B 167 64.891 15.784 -24.193 1.00 56.50 C +ATOM 4074 C CYS B 167 63.429 16.213 -24.247 1.00 53.96 C +ATOM 4075 O CYS B 167 62.704 15.869 -25.162 1.00 54.85 O +ATOM 4076 CB CYS B 167 65.123 14.914 -22.961 1.00 57.65 C +ATOM 4077 SG CYS B 167 65.001 13.151 -23.339 1.00 65.91 S +ATOM 4078 N ALA B 168 63.003 16.997 -23.280 1.00 50.94 N +ATOM 4079 CA ALA B 168 61.620 17.400 -23.229 1.00 47.82 C +ATOM 4080 C ALA B 168 61.176 18.125 -24.453 1.00 46.75 C +ATOM 4081 O ALA B 168 60.011 18.038 -24.793 1.00 46.22 O +ATOM 4082 CB ALA B 168 61.383 18.271 -22.001 1.00 47.18 C +ATOM 4083 N ALA B 169 62.081 18.795 -25.149 1.00 46.10 N +ATOM 4084 CA ALA B 169 61.660 19.637 -26.267 1.00 45.95 C +ATOM 4085 C ALA B 169 61.474 18.980 -27.645 1.00 45.99 C +ATOM 4086 O ALA B 169 60.486 19.285 -28.338 1.00 46.82 O +ATOM 4087 CB ALA B 169 62.599 20.821 -26.366 1.00 45.44 C +ATOM 4088 N PRO B 170 62.391 18.102 -28.074 1.00 45.14 N +ATOM 4089 CA PRO B 170 62.268 17.451 -29.388 1.00 44.74 C +ATOM 4090 C PRO B 170 60.878 16.957 -29.790 1.00 45.38 C +ATOM 4091 O PRO B 170 60.393 17.297 -30.864 1.00 45.35 O +ATOM 4092 CB PRO B 170 63.283 16.316 -29.302 1.00 44.81 C +ATOM 4093 CG PRO B 170 64.355 16.903 -28.444 1.00 44.48 C +ATOM 4094 CD PRO B 170 63.572 17.604 -27.347 1.00 45.28 C +ATOM 4095 N PRO B 171 60.229 16.142 -28.942 1.00 45.35 N +ATOM 4096 CA PRO B 171 58.895 15.605 -29.225 1.00 44.98 C +ATOM 4097 C PRO B 171 57.894 16.647 -29.613 1.00 45.38 C +ATOM 4098 O PRO B 171 56.836 16.323 -30.140 1.00 46.10 O +ATOM 4099 CB PRO B 171 58.520 14.915 -27.918 1.00 44.99 C +ATOM 4100 CG PRO B 171 59.832 14.405 -27.431 1.00 45.11 C +ATOM 4101 CD PRO B 171 60.735 15.605 -27.662 1.00 46.00 C +ATOM 4102 N LEU B 172 58.218 17.903 -29.361 1.00 45.31 N +ATOM 4103 CA LEU B 172 57.288 18.975 -29.685 1.00 45.50 C +ATOM 4104 C LEU B 172 57.602 19.574 -31.040 1.00 46.13 C +ATOM 4105 O LEU B 172 56.775 20.313 -31.593 1.00 45.47 O +ATOM 4106 CB LEU B 172 57.368 20.080 -28.622 1.00 44.53 C +ATOM 4107 CG LEU B 172 56.989 19.764 -27.172 1.00 43.81 C +ATOM 4108 CD1 LEU B 172 57.693 20.731 -26.258 1.00 43.18 C +ATOM 4109 CD2 LEU B 172 55.482 19.827 -26.989 1.00 42.67 C +ATOM 4110 N VAL B 173 58.774 19.256 -31.587 1.00 46.88 N +ATOM 4111 CA VAL B 173 59.189 19.846 -32.858 1.00 47.45 C +ATOM 4112 C VAL B 173 59.458 18.805 -33.925 1.00 48.22 C +ATOM 4113 O VAL B 173 60.314 18.999 -34.788 1.00 49.12 O +ATOM 4114 CB VAL B 173 60.444 20.688 -32.653 1.00 46.35 C +ATOM 4115 CG1 VAL B 173 60.207 21.696 -31.552 1.00 46.04 C +ATOM 4116 CG2 VAL B 173 61.599 19.793 -32.295 1.00 45.95 C +ATOM 4117 N GLY B 174 58.757 17.687 -33.875 1.00 48.25 N +ATOM 4118 CA GLY B 174 58.973 16.722 -34.918 1.00 47.47 C +ATOM 4119 C GLY B 174 59.863 15.551 -34.622 1.00 47.36 C +ATOM 4120 O GLY B 174 59.955 14.662 -35.444 1.00 48.62 O +ATOM 4121 N TRP B 175 60.562 15.531 -33.502 1.00 46.58 N +ATOM 4122 CA TRP B 175 61.346 14.332 -33.246 1.00 46.60 C +ATOM 4123 C TRP B 175 60.661 13.589 -32.129 1.00 47.06 C +ATOM 4124 O TRP B 175 60.674 14.042 -30.975 1.00 48.05 O +ATOM 4125 CB TRP B 175 62.782 14.644 -32.882 1.00 46.46 C +ATOM 4126 CG TRP B 175 63.608 13.396 -32.860 1.00 46.73 C +ATOM 4127 CD1 TRP B 175 63.265 12.169 -33.377 1.00 47.32 C +ATOM 4128 CD2 TRP B 175 64.919 13.246 -32.305 1.00 46.29 C +ATOM 4129 NE1 TRP B 175 64.288 11.265 -33.172 1.00 47.24 N +ATOM 4130 CE2 TRP B 175 65.314 11.899 -32.518 1.00 46.38 C +ATOM 4131 CE3 TRP B 175 65.802 14.116 -31.647 1.00 45.30 C +ATOM 4132 CZ2 TRP B 175 66.554 11.405 -32.094 1.00 46.30 C +ATOM 4133 CZ3 TRP B 175 67.032 13.624 -31.228 1.00 46.14 C +ATOM 4134 CH2 TRP B 175 67.398 12.277 -31.454 1.00 45.90 C +ATOM 4135 N SER B 176 60.069 12.449 -32.485 1.00 45.75 N +ATOM 4136 CA SER B 176 59.282 11.645 -31.567 1.00 43.44 C +ATOM 4137 C SER B 176 58.023 12.447 -31.282 1.00 42.80 C +ATOM 4138 O SER B 176 57.782 13.472 -31.947 1.00 42.47 O +ATOM 4139 CB SER B 176 60.041 11.371 -30.276 1.00 43.15 C +ATOM 4140 OG SER B 176 59.263 10.551 -29.427 1.00 43.42 O +ATOM 4141 N ARG B 177 57.226 12.016 -30.313 1.00 41.77 N +ATOM 4142 CA ARG B 177 55.994 12.736 -29.999 1.00 41.98 C +ATOM 4143 C ARG B 177 55.429 12.262 -28.666 1.00 42.33 C +ATOM 4144 O ARG B 177 55.776 11.160 -28.217 1.00 42.77 O +ATOM 4145 CB ARG B 177 54.965 12.505 -31.119 1.00 41.59 C +ATOM 4146 CG ARG B 177 54.625 11.036 -31.357 1.00 41.58 C +ATOM 4147 CD ARG B 177 53.617 10.852 -32.479 1.00 41.55 C +ATOM 4148 NE ARG B 177 53.148 9.471 -32.582 1.00 40.92 N +ATOM 4149 CZ ARG B 177 52.185 9.074 -33.409 1.00 41.68 C +ATOM 4150 NH1 ARG B 177 51.589 9.953 -34.211 1.00 42.24 N +ATOM 4151 NH2 ARG B 177 51.803 7.804 -33.424 1.00 41.18 N +ATOM 4152 N TYR B 178 54.592 13.085 -28.029 1.00 41.67 N +ATOM 4153 CA TYR B 178 53.963 12.709 -26.756 1.00 41.45 C +ATOM 4154 C TYR B 178 52.640 12.005 -27.093 1.00 42.14 C +ATOM 4155 O TYR B 178 51.908 12.458 -27.988 1.00 41.47 O +ATOM 4156 CB TYR B 178 53.731 13.950 -25.868 1.00 40.85 C +ATOM 4157 CG TYR B 178 55.008 14.542 -25.279 1.00 40.91 C +ATOM 4158 CD1 TYR B 178 55.777 13.822 -24.364 1.00 41.09 C +ATOM 4159 CD2 TYR B 178 55.481 15.800 -25.681 1.00 40.88 C +ATOM 4160 CE1 TYR B 178 56.987 14.336 -23.867 1.00 41.13 C +ATOM 4161 CE2 TYR B 178 56.699 16.316 -25.185 1.00 39.89 C +ATOM 4162 CZ TYR B 178 57.438 15.576 -24.282 1.00 40.28 C +ATOM 4163 OH TYR B 178 58.628 16.058 -23.790 1.00 41.77 O +ATOM 4164 N ILE B 179 52.338 10.903 -26.408 1.00 42.00 N +ATOM 4165 CA ILE B 179 51.114 10.140 -26.704 1.00 41.90 C +ATOM 4166 C ILE B 179 50.484 9.664 -25.399 1.00 41.68 C +ATOM 4167 O ILE B 179 51.201 9.400 -24.445 1.00 41.72 O +ATOM 4168 CB ILE B 179 51.464 8.925 -27.607 1.00 42.53 C +ATOM 4169 CG1 ILE B 179 50.223 8.402 -28.328 1.00 43.24 C +ATOM 4170 CG2 ILE B 179 52.108 7.823 -26.769 1.00 42.46 C +ATOM 4171 CD1 ILE B 179 50.565 7.362 -29.405 1.00 44.83 C +ATOM 4172 N PRO B 180 49.148 9.574 -25.332 1.00 41.01 N +ATOM 4173 CA PRO B 180 48.602 9.115 -24.048 1.00 40.71 C +ATOM 4174 C PRO B 180 48.990 7.710 -23.661 1.00 41.00 C +ATOM 4175 O PRO B 180 49.196 6.891 -24.560 1.00 41.64 O +ATOM 4176 CB PRO B 180 47.085 9.309 -24.210 1.00 40.70 C +ATOM 4177 CG PRO B 180 46.882 9.666 -25.678 1.00 41.08 C +ATOM 4178 CD PRO B 180 48.140 10.303 -26.118 1.00 40.43 C +ATOM 4179 N GLU B 181 49.111 7.440 -22.348 1.00 41.26 N +ATOM 4180 CA GLU B 181 49.481 6.111 -21.850 1.00 40.89 C +ATOM 4181 C GLU B 181 48.480 5.573 -20.839 1.00 40.44 C +ATOM 4182 O GLU B 181 47.718 6.337 -20.239 1.00 41.16 O +ATOM 4183 CB GLU B 181 50.849 6.151 -21.170 1.00 42.37 C +ATOM 4184 CG GLU B 181 51.968 6.837 -21.941 1.00 45.29 C +ATOM 4185 CD GLU B 181 53.348 6.533 -21.352 1.00 46.84 C +ATOM 4186 OE1 GLU B 181 53.803 5.376 -21.490 1.00 46.69 O +ATOM 4187 OE2 GLU B 181 53.973 7.441 -20.749 1.00 48.24 O +ATOM 4188 N GLY B 182 48.511 4.255 -20.651 1.00 39.20 N +ATOM 4189 CA GLY B 182 47.647 3.598 -19.689 1.00 38.63 C +ATOM 4190 C GLY B 182 46.174 3.829 -19.871 1.00 39.03 C +ATOM 4191 O GLY B 182 45.605 3.384 -20.852 1.00 40.62 O +ATOM 4192 N MET B 183 45.545 4.499 -18.913 1.00 39.32 N +ATOM 4193 CA MET B 183 44.121 4.790 -19.014 1.00 39.56 C +ATOM 4194 C MET B 183 43.926 6.007 -19.887 1.00 39.78 C +ATOM 4195 O MET B 183 42.836 6.561 -19.954 1.00 38.85 O +ATOM 4196 CB MET B 183 43.522 5.014 -17.632 1.00 39.27 C +ATOM 4197 CG MET B 183 43.300 3.725 -16.867 1.00 39.92 C +ATOM 4198 SD MET B 183 42.885 3.984 -15.132 1.00 41.91 S +ATOM 4199 CE MET B 183 44.223 3.182 -14.389 1.00 41.24 C +ATOM 4200 N GLN B 184 45.014 6.405 -20.543 1.00 41.25 N +ATOM 4201 CA GLN B 184 45.054 7.522 -21.484 1.00 42.23 C +ATOM 4202 C GLN B 184 44.820 8.846 -20.795 1.00 43.45 C +ATOM 4203 O GLN B 184 44.293 9.778 -21.414 1.00 43.82 O +ATOM 4204 CB GLN B 184 44.018 7.292 -22.588 1.00 41.47 C +ATOM 4205 CG GLN B 184 44.034 5.881 -23.157 1.00 39.79 C +ATOM 4206 CD GLN B 184 45.242 5.604 -24.014 1.00 39.93 C +ATOM 4207 OE1 GLN B 184 45.420 6.221 -25.036 1.00 41.05 O +ATOM 4208 NE2 GLN B 184 46.075 4.666 -23.593 1.00 39.70 N +ATOM 4209 N CYS B 185 45.219 8.946 -19.531 1.00 44.64 N +ATOM 4210 CA CYS B 185 45.032 10.188 -18.788 1.00 45.43 C +ATOM 4211 C CYS B 185 46.327 10.908 -18.578 1.00 44.21 C +ATOM 4212 O CYS B 185 46.322 12.005 -18.055 1.00 44.39 O +ATOM 4213 CB CYS B 185 44.349 9.923 -17.449 1.00 47.78 C +ATOM 4214 SG CYS B 185 42.553 9.633 -17.651 1.00 54.55 S +ATOM 4215 N SER B 186 47.429 10.285 -18.968 1.00 42.16 N +ATOM 4216 CA SER B 186 48.746 10.892 -18.878 1.00 40.81 C +ATOM 4217 C SER B 186 49.349 10.758 -20.253 1.00 40.78 C +ATOM 4218 O SER B 186 48.860 9.942 -21.025 1.00 40.26 O +ATOM 4219 CB SER B 186 49.619 10.175 -17.832 1.00 39.37 C +ATOM 4220 OG SER B 186 49.756 8.782 -18.093 1.00 39.11 O +ATOM 4221 N CYS B 187 50.375 11.545 -20.572 1.00 41.04 N +ATOM 4222 CA CYS B 187 51.040 11.474 -21.880 1.00 41.35 C +ATOM 4223 C CYS B 187 52.535 11.255 -21.716 1.00 41.21 C +ATOM 4224 O CYS B 187 53.141 11.811 -20.802 1.00 41.20 O +ATOM 4225 CB CYS B 187 50.760 12.756 -22.690 1.00 41.62 C +ATOM 4226 SG CYS B 187 49.233 12.555 -23.664 1.00 44.52 S +ATOM 4227 N GLY B 188 53.125 10.441 -22.587 1.00 41.11 N +ATOM 4228 CA GLY B 188 54.560 10.177 -22.512 1.00 41.46 C +ATOM 4229 C GLY B 188 55.218 10.060 -23.882 1.00 42.01 C +ATOM 4230 O GLY B 188 54.560 10.278 -24.904 1.00 41.83 O +ATOM 4231 N ILE B 189 56.526 9.795 -23.906 1.00 42.41 N +ATOM 4232 CA ILE B 189 57.250 9.637 -25.166 1.00 42.72 C +ATOM 4233 C ILE B 189 56.667 8.437 -25.890 1.00 44.23 C +ATOM 4234 O ILE B 189 56.233 7.494 -25.215 1.00 44.51 O +ATOM 4235 CB ILE B 189 58.740 9.432 -24.893 1.00 42.40 C +ATOM 4236 CG1 ILE B 189 59.359 10.765 -24.493 1.00 42.49 C +ATOM 4237 CG2 ILE B 189 59.424 8.841 -26.092 1.00 42.12 C +ATOM 4238 CD1 ILE B 189 59.071 11.894 -25.481 1.00 42.58 C +ATOM 4239 N ASP B 190 56.641 8.455 -27.228 1.00 45.02 N +ATOM 4240 CA ASP B 190 56.043 7.355 -28.019 1.00 45.47 C +ATOM 4241 C ASP B 190 56.890 6.060 -28.028 1.00 45.99 C +ATOM 4242 O ASP B 190 57.765 5.932 -28.888 1.00 46.95 O +ATOM 4243 CB ASP B 190 55.814 7.816 -29.467 1.00 44.58 C +ATOM 4244 CG ASP B 190 54.762 6.988 -30.181 1.00 44.18 C +ATOM 4245 OD1 ASP B 190 54.467 5.876 -29.703 1.00 44.74 O +ATOM 4246 OD2 ASP B 190 54.234 7.443 -31.222 1.00 44.55 O +ATOM 4247 N TYR B 191 56.625 5.119 -27.111 1.00 45.97 N +ATOM 4248 CA TYR B 191 57.359 3.847 -27.049 1.00 46.19 C +ATOM 4249 C TYR B 191 56.576 2.822 -27.828 1.00 47.13 C +ATOM 4250 O TYR B 191 57.096 1.788 -28.248 1.00 48.67 O +ATOM 4251 CB TYR B 191 57.448 3.323 -25.612 1.00 45.34 C +ATOM 4252 CG TYR B 191 57.689 4.372 -24.562 1.00 45.77 C +ATOM 4253 CD1 TYR B 191 58.863 5.132 -24.557 1.00 46.16 C +ATOM 4254 CD2 TYR B 191 56.732 4.637 -23.584 1.00 44.90 C +ATOM 4255 CE1 TYR B 191 59.072 6.140 -23.597 1.00 45.85 C +ATOM 4256 CE2 TYR B 191 56.935 5.645 -22.624 1.00 45.54 C +ATOM 4257 CZ TYR B 191 58.103 6.391 -22.642 1.00 44.99 C +ATOM 4258 OH TYR B 191 58.284 7.407 -21.743 1.00 45.89 O +ATOM 4259 N TYR B 192 55.312 3.142 -28.026 1.00 47.41 N +ATOM 4260 CA TYR B 192 54.363 2.250 -28.662 1.00 47.59 C +ATOM 4261 C TYR B 192 54.575 1.977 -30.144 1.00 48.19 C +ATOM 4262 O TYR B 192 54.751 0.812 -30.506 1.00 48.39 O +ATOM 4263 CB TYR B 192 52.953 2.785 -28.374 1.00 46.11 C +ATOM 4264 CG TYR B 192 52.781 3.013 -26.888 1.00 45.01 C +ATOM 4265 CD1 TYR B 192 53.216 4.199 -26.290 1.00 44.08 C +ATOM 4266 CD2 TYR B 192 52.278 1.998 -26.056 1.00 44.35 C +ATOM 4267 CE1 TYR B 192 53.158 4.368 -24.900 1.00 43.31 C +ATOM 4268 CE2 TYR B 192 52.220 2.160 -24.670 1.00 42.60 C +ATOM 4269 CZ TYR B 192 52.661 3.346 -24.106 1.00 42.28 C +ATOM 4270 OH TYR B 192 52.614 3.510 -22.749 1.00 40.84 O +ATOM 4271 N THR B 193 54.573 3.008 -30.982 1.00 48.24 N +ATOM 4272 CA THR B 193 54.682 2.821 -32.424 1.00 49.27 C +ATOM 4273 C THR B 193 56.014 3.264 -33.014 1.00 50.74 C +ATOM 4274 O THR B 193 56.761 4.037 -32.404 1.00 51.27 O +ATOM 4275 CB THR B 193 53.592 3.620 -33.138 1.00 48.83 C +ATOM 4276 OG1 THR B 193 53.880 5.016 -33.009 1.00 49.25 O +ATOM 4277 CG2 THR B 193 52.245 3.364 -32.509 1.00 49.14 C +ATOM 4278 N PRO B 194 56.336 2.754 -34.217 1.00 52.11 N +ATOM 4279 CA PRO B 194 57.583 3.127 -34.889 1.00 52.67 C +ATOM 4280 C PRO B 194 57.375 4.473 -35.617 1.00 53.38 C +ATOM 4281 O PRO B 194 58.339 5.190 -35.820 1.00 53.86 O +ATOM 4282 CB PRO B 194 57.806 1.973 -35.872 1.00 52.58 C +ATOM 4283 CG PRO B 194 57.042 0.822 -35.263 1.00 52.54 C +ATOM 4284 CD PRO B 194 55.795 1.508 -34.794 1.00 52.34 C +ATOM 4285 N HIS B 195 56.127 4.801 -35.974 1.00 53.47 N +ATOM 4286 CA HIS B 195 55.796 6.039 -36.693 1.00 53.72 C +ATOM 4287 C HIS B 195 57.064 6.620 -37.266 1.00 54.36 C +ATOM 4288 O HIS B 195 57.593 7.575 -36.717 1.00 54.38 O +ATOM 4289 CB HIS B 195 55.119 7.078 -35.768 1.00 53.18 C +ATOM 4290 CG HIS B 195 54.347 8.156 -36.496 1.00 53.59 C +ATOM 4291 ND1 HIS B 195 54.585 9.504 -36.309 1.00 54.30 N +ATOM 4292 CD2 HIS B 195 53.304 8.081 -37.362 1.00 54.32 C +ATOM 4293 CE1 HIS B 195 53.723 10.208 -37.023 1.00 53.66 C +ATOM 4294 NE2 HIS B 195 52.934 9.370 -37.671 1.00 53.30 N +ATOM 4295 N GLU B 196 57.572 6.011 -38.339 1.00 55.10 N +ATOM 4296 CA GLU B 196 58.789 6.491 -39.008 1.00 55.73 C +ATOM 4297 C GLU B 196 58.537 7.934 -39.408 1.00 56.20 C +ATOM 4298 O GLU B 196 59.456 8.746 -39.443 1.00 56.25 O +ATOM 4299 CB GLU B 196 59.095 5.642 -40.262 1.00 55.58 C +ATOM 4300 CG GLU B 196 59.437 4.172 -39.983 1.00 56.49 C +ATOM 4301 CD GLU B 196 59.219 3.267 -41.193 1.00 56.71 C +ATOM 4302 OE1 GLU B 196 59.577 3.679 -42.313 1.00 58.13 O +ATOM 4303 OE2 GLU B 196 58.699 2.139 -41.028 1.00 57.05 O +ATOM 4304 N GLU B 197 57.269 8.232 -39.682 1.00 56.56 N +ATOM 4305 CA GLU B 197 56.813 9.551 -40.086 1.00 57.50 C +ATOM 4306 C GLU B 197 57.378 10.582 -39.133 1.00 56.71 C +ATOM 4307 O GLU B 197 57.353 11.752 -39.450 1.00 57.60 O +ATOM 4308 CB GLU B 197 55.262 9.586 -40.064 1.00 60.98 C +ATOM 4309 CG GLU B 197 54.571 10.885 -40.574 1.00 66.23 C +ATOM 4310 CD GLU B 197 53.068 10.998 -40.157 1.00 70.37 C +ATOM 4311 OE1 GLU B 197 52.292 10.021 -40.347 1.00 71.94 O +ATOM 4312 OE2 GLU B 197 52.660 12.074 -39.642 1.00 72.00 O +ATOM 4313 N THR B 198 57.906 10.155 -37.986 1.00 55.69 N +ATOM 4314 CA THR B 198 58.413 11.103 -36.998 1.00 53.01 C +ATOM 4315 C THR B 198 59.633 10.564 -36.257 1.00 53.03 C +ATOM 4316 O THR B 198 60.024 11.125 -35.237 1.00 52.47 O +ATOM 4317 CB THR B 198 57.294 11.444 -36.001 1.00 51.88 C +ATOM 4318 OG1 THR B 198 57.607 12.668 -35.357 1.00 51.67 O +ATOM 4319 CG2 THR B 198 57.146 10.372 -34.951 1.00 50.77 C +ATOM 4320 N ASN B 199 60.216 9.486 -36.779 1.00 53.87 N +ATOM 4321 CA ASN B 199 61.407 8.848 -36.213 1.00 54.47 C +ATOM 4322 C ASN B 199 61.273 8.587 -34.774 1.00 54.69 C +ATOM 4323 O ASN B 199 62.021 9.174 -34.001 1.00 55.13 O +ATOM 4324 CB ASN B 199 62.635 9.719 -36.384 1.00 55.49 C +ATOM 4325 CG ASN B 199 63.182 9.654 -37.763 1.00 57.00 C +ATOM 4326 OD1 ASN B 199 63.118 10.631 -38.514 1.00 57.95 O +ATOM 4327 ND2 ASN B 199 63.724 8.485 -38.129 1.00 57.43 N +ATOM 4328 N ASN B 200 60.363 7.705 -34.392 1.00 55.07 N +ATOM 4329 CA ASN B 200 60.177 7.403 -32.982 1.00 55.30 C +ATOM 4330 C ASN B 200 61.340 6.577 -32.462 1.00 55.52 C +ATOM 4331 O ASN B 200 62.039 7.001 -31.533 1.00 56.16 O +ATOM 4332 CB ASN B 200 58.855 6.637 -32.749 1.00 55.49 C +ATOM 4333 CG ASN B 200 57.615 7.522 -32.890 1.00 55.50 C +ATOM 4334 OD1 ASN B 200 57.706 8.751 -32.945 1.00 55.71 O +ATOM 4335 ND2 ASN B 200 56.447 6.891 -32.934 1.00 55.16 N +ATOM 4336 N GLU B 201 61.555 5.416 -33.074 1.00 55.25 N +ATOM 4337 CA GLU B 201 62.589 4.473 -32.650 1.00 54.22 C +ATOM 4338 C GLU B 201 63.953 5.129 -32.365 1.00 53.87 C +ATOM 4339 O GLU B 201 64.659 4.708 -31.446 1.00 53.67 O +ATOM 4340 CB GLU B 201 62.691 3.361 -33.696 1.00 53.12 C +ATOM 4341 CG GLU B 201 61.335 2.690 -34.007 1.00 52.36 C +ATOM 4342 CD GLU B 201 61.083 1.386 -33.229 1.00 51.69 C +ATOM 4343 OE1 GLU B 201 62.067 0.681 -32.912 1.00 50.59 O +ATOM 4344 OE2 GLU B 201 59.900 1.051 -32.962 1.00 51.79 O +ATOM 4345 N SER B 202 64.320 6.154 -33.121 1.00 54.06 N +ATOM 4346 CA SER B 202 65.601 6.805 -32.893 1.00 54.45 C +ATOM 4347 C SER B 202 65.572 7.627 -31.622 1.00 54.24 C +ATOM 4348 O SER B 202 66.455 7.462 -30.801 1.00 55.20 O +ATOM 4349 CB SER B 202 65.990 7.697 -34.084 1.00 54.72 C +ATOM 4350 OG SER B 202 65.067 8.755 -34.308 1.00 56.56 O +ATOM 4351 N PHE B 203 64.573 8.487 -31.437 1.00 53.63 N +ATOM 4352 CA PHE B 203 64.529 9.317 -30.240 1.00 53.09 C +ATOM 4353 C PHE B 203 64.525 8.493 -28.976 1.00 52.85 C +ATOM 4354 O PHE B 203 65.101 8.903 -27.976 1.00 52.57 O +ATOM 4355 CB PHE B 203 63.296 10.205 -30.222 1.00 53.50 C +ATOM 4356 CG PHE B 203 63.273 11.150 -29.056 1.00 55.17 C +ATOM 4357 CD1 PHE B 203 63.845 12.418 -29.157 1.00 55.83 C +ATOM 4358 CD2 PHE B 203 62.756 10.751 -27.833 1.00 55.16 C +ATOM 4359 CE1 PHE B 203 63.906 13.269 -28.056 1.00 55.93 C +ATOM 4360 CE2 PHE B 203 62.818 11.593 -26.731 1.00 55.83 C +ATOM 4361 CZ PHE B 203 63.394 12.853 -26.842 1.00 55.62 C +ATOM 4362 N VAL B 204 63.871 7.343 -29.013 1.00 52.81 N +ATOM 4363 CA VAL B 204 63.770 6.486 -27.839 1.00 52.83 C +ATOM 4364 C VAL B 204 65.125 5.942 -27.408 1.00 54.12 C +ATOM 4365 O VAL B 204 65.394 5.864 -26.222 1.00 54.36 O +ATOM 4366 CB VAL B 204 62.773 5.323 -28.103 1.00 51.93 C +ATOM 4367 CG1 VAL B 204 62.866 4.289 -26.994 1.00 50.81 C +ATOM 4368 CG2 VAL B 204 61.351 5.876 -28.219 1.00 49.19 C +ATOM 4369 N ILE B 205 65.974 5.564 -28.354 1.00 55.84 N +ATOM 4370 CA ILE B 205 67.295 5.036 -28.017 1.00 57.29 C +ATOM 4371 C ILE B 205 68.164 6.180 -27.504 1.00 58.38 C +ATOM 4372 O ILE B 205 69.027 6.000 -26.636 1.00 58.47 O +ATOM 4373 CB ILE B 205 67.931 4.399 -29.263 1.00 57.11 C +ATOM 4374 CG1 ILE B 205 66.988 3.323 -29.804 1.00 57.23 C +ATOM 4375 CG2 ILE B 205 69.285 3.803 -28.921 1.00 57.03 C +ATOM 4376 CD1 ILE B 205 67.406 2.733 -31.115 1.00 58.37 C +ATOM 4377 N TYR B 206 67.894 7.361 -28.044 1.00 59.96 N +ATOM 4378 CA TYR B 206 68.591 8.606 -27.711 1.00 61.58 C +ATOM 4379 C TYR B 206 68.330 8.956 -26.283 1.00 61.85 C +ATOM 4380 O TYR B 206 69.239 9.371 -25.570 1.00 62.45 O +ATOM 4381 CB TYR B 206 68.068 9.740 -28.600 1.00 63.37 C +ATOM 4382 CG TYR B 206 68.112 11.131 -27.984 1.00 64.83 C +ATOM 4383 CD1 TYR B 206 69.312 11.836 -27.887 1.00 65.38 C +ATOM 4384 CD2 TYR B 206 66.935 11.769 -27.555 1.00 65.44 C +ATOM 4385 CE1 TYR B 206 69.344 13.145 -27.392 1.00 65.55 C +ATOM 4386 CE2 TYR B 206 66.952 13.073 -27.058 1.00 65.80 C +ATOM 4387 CZ TYR B 206 68.163 13.759 -26.984 1.00 65.50 C +ATOM 4388 OH TYR B 206 68.205 15.060 -26.530 1.00 64.87 O +ATOM 4389 N MET B 207 67.073 8.793 -25.879 1.00 61.95 N +ATOM 4390 CA MET B 207 66.634 9.117 -24.534 1.00 61.84 C +ATOM 4391 C MET B 207 67.063 8.068 -23.519 1.00 61.43 C +ATOM 4392 O MET B 207 67.325 8.434 -22.385 1.00 62.94 O +ATOM 4393 CB MET B 207 65.113 9.286 -24.513 1.00 62.60 C +ATOM 4394 CG MET B 207 64.540 9.597 -23.145 1.00 63.64 C +ATOM 4395 SD MET B 207 62.752 9.390 -23.092 1.00 66.45 S +ATOM 4396 CE MET B 207 62.594 7.582 -22.928 1.00 64.28 C +ATOM 4397 N PHE B 208 67.145 6.792 -23.889 1.00 60.77 N +ATOM 4398 CA PHE B 208 67.554 5.789 -22.912 1.00 59.98 C +ATOM 4399 C PHE B 208 69.054 5.717 -22.773 1.00 59.92 C +ATOM 4400 O PHE B 208 69.533 5.113 -21.825 1.00 60.03 O +ATOM 4401 CB PHE B 208 67.002 4.421 -23.272 1.00 59.97 C +ATOM 4402 CG PHE B 208 65.670 4.137 -22.649 1.00 61.31 C +ATOM 4403 CD1 PHE B 208 65.551 3.973 -21.272 1.00 62.14 C +ATOM 4404 CD2 PHE B 208 64.529 4.029 -23.430 1.00 62.02 C +ATOM 4405 CE1 PHE B 208 64.315 3.704 -20.682 1.00 62.09 C +ATOM 4406 CE2 PHE B 208 63.295 3.762 -22.853 1.00 61.83 C +ATOM 4407 CZ PHE B 208 63.189 3.598 -21.474 1.00 62.24 C +ATOM 4408 N VAL B 209 69.795 6.330 -23.694 1.00 59.83 N +ATOM 4409 CA VAL B 209 71.257 6.321 -23.612 1.00 59.15 C +ATOM 4410 C VAL B 209 71.780 7.658 -23.063 1.00 58.79 C +ATOM 4411 O VAL B 209 72.434 7.673 -22.020 1.00 58.77 O +ATOM 4412 CB VAL B 209 71.893 6.034 -24.989 1.00 58.35 C +ATOM 4413 CG1 VAL B 209 73.389 6.049 -24.858 1.00 57.45 C +ATOM 4414 CG2 VAL B 209 71.433 4.682 -25.516 1.00 56.68 C +ATOM 4415 N VAL B 210 71.478 8.761 -23.744 1.00 57.75 N +ATOM 4416 CA VAL B 210 71.917 10.090 -23.314 1.00 57.31 C +ATOM 4417 C VAL B 210 71.272 10.525 -22.007 1.00 57.12 C +ATOM 4418 O VAL B 210 71.983 10.862 -21.064 1.00 57.43 O +ATOM 4419 CB VAL B 210 71.568 11.179 -24.358 1.00 57.40 C +ATOM 4420 CG1 VAL B 210 71.879 12.556 -23.803 1.00 56.44 C +ATOM 4421 CG2 VAL B 210 72.341 10.947 -25.631 1.00 57.45 C +ATOM 4422 N HIS B 211 69.940 10.509 -21.953 1.00 56.59 N +ATOM 4423 CA HIS B 211 69.188 10.977 -20.788 1.00 56.00 C +ATOM 4424 C HIS B 211 68.738 9.906 -19.806 1.00 54.36 C +ATOM 4425 O HIS B 211 67.683 10.056 -19.197 1.00 53.47 O +ATOM 4426 CB HIS B 211 67.982 11.770 -21.269 1.00 58.05 C +ATOM 4427 CG HIS B 211 68.338 12.915 -22.168 1.00 60.75 C +ATOM 4428 ND1 HIS B 211 69.043 14.015 -21.732 1.00 61.69 N +ATOM 4429 CD2 HIS B 211 68.068 13.138 -23.476 1.00 62.27 C +ATOM 4430 CE1 HIS B 211 69.187 14.870 -22.729 1.00 62.20 C +ATOM 4431 NE2 HIS B 211 68.603 14.363 -23.799 1.00 62.22 N +ATOM 4432 N PHE B 212 69.517 8.850 -19.629 1.00 53.41 N +ATOM 4433 CA PHE B 212 69.162 7.829 -18.658 1.00 53.33 C +ATOM 4434 C PHE B 212 70.365 7.000 -18.328 1.00 53.83 C +ATOM 4435 O PHE B 212 70.907 7.123 -17.236 1.00 54.92 O +ATOM 4436 CB PHE B 212 68.028 6.926 -19.159 1.00 53.14 C +ATOM 4437 CG PHE B 212 67.665 5.806 -18.199 1.00 53.41 C +ATOM 4438 CD1 PHE B 212 67.315 6.079 -16.880 1.00 54.25 C +ATOM 4439 CD2 PHE B 212 67.680 4.476 -18.617 1.00 53.69 C +ATOM 4440 CE1 PHE B 212 66.982 5.051 -15.983 1.00 54.30 C +ATOM 4441 CE2 PHE B 212 67.352 3.431 -17.734 1.00 53.80 C +ATOM 4442 CZ PHE B 212 67.002 3.722 -16.413 1.00 54.24 C +ATOM 4443 N ILE B 213 70.795 6.146 -19.239 1.00 53.91 N +ATOM 4444 CA ILE B 213 71.925 5.297 -18.924 1.00 53.96 C +ATOM 4445 C ILE B 213 73.180 6.089 -18.587 1.00 54.09 C +ATOM 4446 O ILE B 213 73.845 5.749 -17.623 1.00 54.10 O +ATOM 4447 CB ILE B 213 72.209 4.318 -20.065 1.00 54.54 C +ATOM 4448 CG1 ILE B 213 70.969 3.458 -20.342 1.00 55.02 C +ATOM 4449 CG2 ILE B 213 73.322 3.391 -19.649 1.00 55.92 C +ATOM 4450 CD1 ILE B 213 71.043 2.631 -21.620 1.00 55.20 C +ATOM 4451 N ILE B 214 73.499 7.141 -19.331 1.00 54.53 N +ATOM 4452 CA ILE B 214 74.720 7.894 -19.046 1.00 55.38 C +ATOM 4453 C ILE B 214 74.693 8.541 -17.667 1.00 56.44 C +ATOM 4454 O ILE B 214 75.492 8.168 -16.801 1.00 57.15 O +ATOM 4455 CB ILE B 214 74.996 9.014 -20.104 1.00 55.27 C +ATOM 4456 CG1 ILE B 214 75.195 8.412 -21.497 1.00 55.89 C +ATOM 4457 CG2 ILE B 214 76.249 9.796 -19.717 1.00 54.48 C +ATOM 4458 CD1 ILE B 214 75.533 9.432 -22.584 1.00 54.64 C +ATOM 4459 N PRO B 215 73.784 9.511 -17.440 1.00 56.60 N +ATOM 4460 CA PRO B 215 73.733 10.171 -16.135 1.00 56.50 C +ATOM 4461 C PRO B 215 73.789 9.226 -14.972 1.00 57.11 C +ATOM 4462 O PRO B 215 74.440 9.525 -13.979 1.00 57.77 O +ATOM 4463 CB PRO B 215 72.429 10.964 -16.199 1.00 56.47 C +ATOM 4464 CG PRO B 215 72.331 11.328 -17.656 1.00 56.65 C +ATOM 4465 CD PRO B 215 72.699 10.002 -18.313 1.00 57.15 C +ATOM 4466 N LEU B 216 73.123 8.089 -15.082 1.00 57.74 N +ATOM 4467 CA LEU B 216 73.145 7.139 -13.989 1.00 59.26 C +ATOM 4468 C LEU B 216 74.542 6.614 -13.796 1.00 60.73 C +ATOM 4469 O LEU B 216 74.953 6.383 -12.659 1.00 61.82 O +ATOM 4470 CB LEU B 216 72.173 5.987 -14.248 1.00 58.18 C +ATOM 4471 CG LEU B 216 70.810 6.272 -13.629 1.00 56.74 C +ATOM 4472 CD1 LEU B 216 70.977 6.424 -12.132 1.00 56.54 C +ATOM 4473 CD2 LEU B 216 70.232 7.543 -14.209 1.00 56.79 C +ATOM 4474 N ILE B 217 75.273 6.431 -14.892 1.00 61.80 N +ATOM 4475 CA ILE B 217 76.648 5.928 -14.825 1.00 62.38 C +ATOM 4476 C ILE B 217 77.505 6.915 -14.032 1.00 62.97 C +ATOM 4477 O ILE B 217 78.138 6.527 -13.039 1.00 63.04 O +ATOM 4478 CB ILE B 217 77.250 5.737 -16.258 1.00 61.68 C +ATOM 4479 CG1 ILE B 217 76.554 4.584 -16.983 1.00 60.39 C +ATOM 4480 CG2 ILE B 217 78.727 5.421 -16.169 1.00 61.30 C +ATOM 4481 CD1 ILE B 217 77.043 4.392 -18.390 1.00 58.98 C +ATOM 4482 N VAL B 218 77.512 8.174 -14.468 1.00 63.09 N +ATOM 4483 CA VAL B 218 78.264 9.230 -13.804 1.00 63.52 C +ATOM 4484 C VAL B 218 78.000 9.198 -12.331 1.00 64.24 C +ATOM 4485 O VAL B 218 78.889 8.955 -11.534 1.00 64.62 O +ATOM 4486 CB VAL B 218 77.820 10.604 -14.280 1.00 63.80 C +ATOM 4487 CG1 VAL B 218 78.381 11.673 -13.346 1.00 64.10 C +ATOM 4488 CG2 VAL B 218 78.254 10.820 -15.721 1.00 64.07 C +ATOM 4489 N ILE B 219 76.755 9.475 -11.984 1.00 64.98 N +ATOM 4490 CA ILE B 219 76.310 9.505 -10.608 1.00 65.80 C +ATOM 4491 C ILE B 219 76.764 8.263 -9.872 1.00 66.71 C +ATOM 4492 O ILE B 219 77.335 8.366 -8.793 1.00 66.24 O +ATOM 4493 CB ILE B 219 74.781 9.646 -10.583 1.00 65.29 C +ATOM 4494 CG1 ILE B 219 74.403 10.992 -11.220 1.00 65.17 C +ATOM 4495 CG2 ILE B 219 74.266 9.520 -9.169 1.00 64.07 C +ATOM 4496 CD1 ILE B 219 72.954 11.155 -11.551 1.00 64.41 C +ATOM 4497 N PHE B 220 76.525 7.098 -10.454 1.00 68.34 N +ATOM 4498 CA PHE B 220 76.926 5.850 -9.822 1.00 70.32 C +ATOM 4499 C PHE B 220 78.413 5.762 -9.699 1.00 72.37 C +ATOM 4500 O PHE B 220 78.936 5.226 -8.712 1.00 72.92 O +ATOM 4501 CB PHE B 220 76.441 4.681 -10.640 1.00 69.88 C +ATOM 4502 CG PHE B 220 75.114 4.197 -10.227 1.00 70.47 C +ATOM 4503 CD1 PHE B 220 74.964 3.530 -9.020 1.00 70.20 C +ATOM 4504 CD2 PHE B 220 74.005 4.414 -11.034 1.00 70.67 C +ATOM 4505 CE1 PHE B 220 73.728 3.083 -8.620 1.00 70.73 C +ATOM 4506 CE2 PHE B 220 72.761 3.973 -10.649 1.00 70.76 C +ATOM 4507 CZ PHE B 220 72.615 3.303 -9.437 1.00 71.19 C +ATOM 4508 N PHE B 221 79.102 6.261 -10.714 1.00 73.79 N +ATOM 4509 CA PHE B 221 80.549 6.248 -10.718 1.00 75.20 C +ATOM 4510 C PHE B 221 81.059 7.136 -9.602 1.00 75.45 C +ATOM 4511 O PHE B 221 81.713 6.656 -8.686 1.00 75.13 O +ATOM 4512 CB PHE B 221 81.062 6.747 -12.067 1.00 76.50 C +ATOM 4513 CG PHE B 221 82.537 6.977 -12.096 1.00 77.61 C +ATOM 4514 CD1 PHE B 221 83.095 8.090 -11.456 1.00 78.42 C +ATOM 4515 CD2 PHE B 221 83.379 6.056 -12.714 1.00 78.37 C +ATOM 4516 CE1 PHE B 221 84.467 8.282 -11.422 1.00 79.12 C +ATOM 4517 CE2 PHE B 221 84.752 6.232 -12.690 1.00 79.35 C +ATOM 4518 CZ PHE B 221 85.302 7.351 -12.038 1.00 79.52 C +ATOM 4519 N CYS B 222 80.768 8.427 -9.699 1.00 76.00 N +ATOM 4520 CA CYS B 222 81.195 9.391 -8.703 1.00 76.83 C +ATOM 4521 C CYS B 222 80.815 8.895 -7.336 1.00 76.87 C +ATOM 4522 O CYS B 222 81.458 9.243 -6.353 1.00 76.82 O +ATOM 4523 CB CYS B 222 80.539 10.744 -8.977 1.00 77.84 C +ATOM 4524 SG CYS B 222 80.401 11.795 -7.515 1.00 78.98 S +ATOM 4525 N TYR B 223 79.766 8.090 -7.263 1.00 77.30 N +ATOM 4526 CA TYR B 223 79.365 7.560 -5.979 1.00 78.13 C +ATOM 4527 C TYR B 223 80.386 6.557 -5.556 1.00 79.71 C +ATOM 4528 O TYR B 223 80.466 6.219 -4.386 1.00 79.91 O +ATOM 4529 CB TYR B 223 78.019 6.869 -6.058 1.00 77.06 C +ATOM 4530 CG TYR B 223 77.760 6.058 -4.823 1.00 76.08 C +ATOM 4531 CD1 TYR B 223 77.448 6.675 -3.616 1.00 76.11 C +ATOM 4532 CD2 TYR B 223 77.875 4.673 -4.846 1.00 75.98 C +ATOM 4533 CE1 TYR B 223 77.255 5.929 -2.456 1.00 76.41 C +ATOM 4534 CE2 TYR B 223 77.686 3.914 -3.697 1.00 76.33 C +ATOM 4535 CZ TYR B 223 77.373 4.543 -2.503 1.00 76.58 C +ATOM 4536 OH TYR B 223 77.168 3.782 -1.366 1.00 76.14 O +ATOM 4537 N GLY B 224 81.148 6.056 -6.520 1.00 81.56 N +ATOM 4538 CA GLY B 224 82.189 5.090 -6.219 1.00 84.32 C +ATOM 4539 C GLY B 224 83.431 5.797 -5.701 1.00 86.21 C +ATOM 4540 O GLY B 224 84.151 5.276 -4.851 1.00 86.22 O +ATOM 4541 N GLN B 225 83.679 6.998 -6.217 1.00 88.04 N +ATOM 4542 CA GLN B 225 84.827 7.803 -5.810 1.00 89.67 C +ATOM 4543 C GLN B 225 84.726 8.139 -4.339 1.00 91.17 C +ATOM 4544 O GLN B 225 85.691 7.941 -3.597 1.00 91.73 O +ATOM 4545 CB GLN B 225 84.886 9.088 -6.635 1.00 89.55 C +ATOM 4546 CG GLN B 225 85.069 8.823 -8.112 1.00 89.79 C +ATOM 4547 CD GLN B 225 86.249 7.900 -8.380 1.00 90.28 C +ATOM 4548 OE1 GLN B 225 87.410 8.302 -8.267 1.00 90.07 O +ATOM 4549 NE2 GLN B 225 85.953 6.648 -8.720 1.00 89.82 N +ATOM 4550 N LEU B 226 83.569 8.639 -3.914 1.00 92.56 N +ATOM 4551 CA LEU B 226 83.362 8.989 -2.512 1.00 93.91 C +ATOM 4552 C LEU B 226 82.942 7.752 -1.706 1.00 94.84 C +ATOM 4553 O LEU B 226 82.111 7.856 -0.793 1.00 94.77 O +ATOM 4554 CB LEU B 226 82.310 10.099 -2.399 1.00 93.77 C +ATOM 4555 CG LEU B 226 82.709 11.451 -3.006 1.00 93.89 C +ATOM 4556 CD1 LEU B 226 83.008 11.316 -4.496 1.00 93.52 C +ATOM 4557 CD2 LEU B 226 81.589 12.442 -2.772 1.00 93.21 C +ATOM 4558 N VAL B 227 83.513 6.594 -2.051 1.00 95.96 N +ATOM 4559 CA VAL B 227 83.221 5.347 -1.341 1.00 97.42 C +ATOM 4560 C VAL B 227 84.296 5.147 -0.295 1.00 99.28 C +ATOM 4561 O VAL B 227 83.980 4.749 0.840 1.00 99.88 O +ATOM 4562 CB VAL B 227 83.200 4.108 -2.282 1.00 96.77 C +ATOM 4563 CG1 VAL B 227 84.621 3.706 -2.678 1.00 95.80 C +ATOM 4564 CG2 VAL B 227 82.480 2.952 -1.590 1.00 96.05 C +ATOM 4565 N PHE B 228 85.553 5.415 -0.670 1.00100.71 N +ATOM 4566 CA PHE B 228 86.676 5.299 0.265 1.00102.23 C +ATOM 4567 C PHE B 228 86.672 6.520 1.169 1.00102.77 C +ATOM 4568 O PHE B 228 86.838 6.383 2.391 1.00103.05 O +ATOM 4569 CB PHE B 228 88.030 5.217 -0.461 1.00102.57 C +ATOM 4570 CG PHE B 228 89.231 5.214 0.484 1.00103.50 C +ATOM 4571 CD1 PHE B 228 89.276 4.341 1.587 1.00103.57 C +ATOM 4572 CD2 PHE B 228 90.311 6.082 0.276 1.00103.76 C +ATOM 4573 CE1 PHE B 228 90.383 4.334 2.472 1.00103.65 C +ATOM 4574 CE2 PHE B 228 91.426 6.083 1.153 1.00103.92 C +ATOM 4575 CZ PHE B 228 91.457 5.207 2.251 1.00103.78 C +ATOM 4576 N THR B 229 86.494 7.702 0.578 1.00103.08 N +ATOM 4577 CA THR B 229 86.442 8.941 1.348 1.00103.48 C +ATOM 4578 C THR B 229 85.125 8.978 2.176 1.00104.03 C +ATOM 4579 O THR B 229 84.688 7.917 2.649 1.00104.10 O +ATOM 4580 CB THR B 229 86.585 10.186 0.411 1.00103.04 C +ATOM 4581 OG1 THR B 229 86.314 9.816 -0.949 1.00103.10 O +ATOM 4582 CG2 THR B 229 88.001 10.740 0.490 1.00102.95 C +ATOM 4583 N VAL B 230 84.500 10.145 2.355 1.00104.39 N +ATOM 4584 CA VAL B 230 83.270 10.228 3.156 1.00104.49 C +ATOM 4585 C VAL B 230 82.270 9.141 2.772 1.00105.41 C +ATOM 4586 O VAL B 230 81.857 9.059 1.604 1.00105.34 O +ATOM 4587 CB VAL B 230 82.576 11.610 3.018 1.00103.61 C +ATOM 4588 CG1 VAL B 230 82.222 11.879 1.576 1.00103.20 C +ATOM 4589 CG2 VAL B 230 81.316 11.635 3.852 1.00102.99 C +ATOM 4590 N LYS B 231 81.903 8.300 3.741 1.00106.33 N +ATOM 4591 CA LYS B 231 80.916 7.239 3.517 1.00107.01 C +ATOM 4592 C LYS B 231 79.690 7.620 4.319 1.00107.82 C +ATOM 4593 O LYS B 231 79.493 8.810 4.610 1.00107.89 O +ATOM 4594 CB LYS B 231 81.408 5.872 4.019 1.00106.30 C +ATOM 4595 CG LYS B 231 82.907 5.672 4.031 1.00105.74 C +ATOM 4596 CD LYS B 231 83.316 4.956 5.314 1.00105.78 C +ATOM 4597 CE LYS B 231 82.879 5.747 6.556 1.00105.13 C +ATOM 4598 NZ LYS B 231 83.131 5.012 7.832 1.00105.04 N +ATOM 4599 N GLU B 232 78.880 6.629 4.691 1.00108.81 N +ATOM 4600 CA GLU B 232 77.682 6.901 5.482 1.00109.91 C +ATOM 4601 C GLU B 232 78.096 7.276 6.900 1.00110.66 C +ATOM 4602 O GLU B 232 77.593 8.275 7.429 1.00110.78 O +ATOM 4603 CB GLU B 232 76.735 5.679 5.502 1.00109.75 C +ATOM 4604 CG GLU B 232 76.012 5.378 4.158 1.00110.21 C +ATOM 4605 CD GLU B 232 74.508 5.725 4.146 1.00110.11 C +ATOM 4606 OE1 GLU B 232 73.743 5.130 4.944 1.00110.29 O +ATOM 4607 OE2 GLU B 232 74.088 6.583 3.329 1.00109.63 O +ATOM 4608 N ALA B 233 79.019 6.510 7.491 1.00111.45 N +ATOM 4609 CA ALA B 233 79.501 6.757 8.861 1.00112.03 C +ATOM 4610 C ALA B 233 79.936 8.229 9.074 1.00112.32 C +ATOM 4611 O ALA B 233 80.919 8.691 8.472 1.00112.45 O +ATOM 4612 CB ALA B 233 80.662 5.794 9.193 1.00111.91 C +ATOM 4613 N ALA B 234 79.195 8.939 9.933 1.00112.38 N +ATOM 4614 CA ALA B 234 79.443 10.351 10.274 1.00112.19 C +ATOM 4615 C ALA B 234 79.107 10.583 11.764 1.00111.94 C +ATOM 4616 O ALA B 234 77.930 10.760 12.097 1.00111.72 O +ATOM 4617 CB ALA B 234 78.584 11.273 9.373 1.00111.98 C +ATOM 4618 N ALA B 235 80.130 10.595 12.631 1.00111.84 N +ATOM 4619 CA ALA B 235 79.977 10.764 14.094 1.00111.82 C +ATOM 4620 C ALA B 235 79.341 12.097 14.494 1.00111.80 C +ATOM 4621 O ALA B 235 78.857 12.837 13.628 1.00111.46 O +ATOM 4622 CB ALA B 235 81.342 10.607 14.795 1.00111.39 C +ATOM 4623 N GLN B 236 79.341 12.392 15.801 1.00112.03 N +ATOM 4624 CA GLN B 236 78.753 13.631 16.329 1.00112.05 C +ATOM 4625 C GLN B 236 79.569 14.844 15.919 1.00112.89 C +ATOM 4626 O GLN B 236 80.614 14.680 15.278 1.00113.13 O +ATOM 4627 CB GLN B 236 78.604 13.572 17.865 1.00110.57 C +ATOM 4628 CG GLN B 236 79.673 12.796 18.623 1.00108.53 C +ATOM 4629 CD GLN B 236 81.022 13.459 18.589 1.00107.54 C +ATOM 4630 OE1 GLN B 236 81.953 12.955 17.969 1.00106.66 O +ATOM 4631 NE2 GLN B 236 81.135 14.600 19.255 1.00106.42 N +ATOM 4632 N GLN B 237 79.087 16.040 16.275 1.00113.25 N +ATOM 4633 CA GLN B 237 79.746 17.308 15.932 1.00113.17 C +ATOM 4634 C GLN B 237 81.214 17.094 15.588 1.00113.35 C +ATOM 4635 O GLN B 237 82.054 17.148 16.492 1.00113.26 O +ATOM 4636 CB GLN B 237 79.652 18.323 17.088 1.00112.48 C +ATOM 4637 CG GLN B 237 78.247 18.802 17.463 1.00111.51 C +ATOM 4638 CD GLN B 237 77.590 17.961 18.557 1.00110.94 C +ATOM 4639 OE1 GLN B 237 76.513 18.305 19.048 1.00110.10 O +ATOM 4640 NE2 GLN B 237 78.235 16.857 18.940 1.00110.36 N +ATOM 4641 N GLN B 238 81.503 16.834 14.306 1.00113.32 N +ATOM 4642 CA GLN B 238 82.872 16.637 13.795 1.00112.97 C +ATOM 4643 C GLN B 238 83.248 15.173 13.589 1.00112.84 C +ATOM 4644 O GLN B 238 82.668 14.269 14.199 1.00112.42 O +ATOM 4645 CB GLN B 238 83.894 17.318 14.718 1.00112.69 C +ATOM 4646 CG GLN B 238 85.346 17.090 14.383 1.00111.56 C +ATOM 4647 CD GLN B 238 86.249 17.758 15.388 1.00111.46 C +ATOM 4648 OE1 GLN B 238 86.327 18.982 15.450 1.00111.38 O +ATOM 4649 NE2 GLN B 238 86.923 16.954 16.199 1.00110.87 N +ATOM 4650 N GLU B 239 84.220 14.961 12.702 1.00112.58 N +ATOM 4651 CA GLU B 239 84.750 13.635 12.379 1.00112.47 C +ATOM 4652 C GLU B 239 86.217 13.801 11.984 1.00112.88 C +ATOM 4653 O GLU B 239 86.951 12.813 11.812 1.00112.97 O +ATOM 4654 CB GLU B 239 83.979 13.008 11.211 1.00111.80 C +ATOM 4655 CG GLU B 239 84.185 11.508 11.070 1.00110.53 C +ATOM 4656 CD GLU B 239 83.497 10.732 12.179 1.00110.20 C +ATOM 4657 OE1 GLU B 239 83.598 11.154 13.354 1.00109.52 O +ATOM 4658 OE2 GLU B 239 82.863 9.700 11.875 1.00109.45 O +ATOM 4659 N SER B 240 86.617 15.067 11.849 1.00112.73 N +ATOM 4660 CA SER B 240 87.970 15.495 11.471 1.00112.37 C +ATOM 4661 C SER B 240 87.880 17.005 11.253 1.00111.68 C +ATOM 4662 O SER B 240 88.668 17.604 10.509 1.00111.92 O +ATOM 4663 CB SER B 240 88.409 14.789 10.175 1.00112.65 C +ATOM 4664 OG SER B 240 89.770 15.052 9.869 1.00113.09 O +ATOM 4665 N ALA B 241 86.897 17.580 11.945 1.00110.36 N +ATOM 4666 CA ALA B 241 86.512 18.985 11.920 1.00108.98 C +ATOM 4667 C ALA B 241 85.036 18.915 11.664 1.00108.10 C +ATOM 4668 O ALA B 241 84.630 18.177 10.770 1.00107.63 O +ATOM 4669 CB ALA B 241 87.206 19.739 10.778 1.00108.44 C +ATOM 4670 N THR B 242 84.220 19.623 12.437 1.00107.50 N +ATOM 4671 CA THR B 242 82.778 19.556 12.204 1.00107.02 C +ATOM 4672 C THR B 242 82.480 19.976 10.770 1.00106.16 C +ATOM 4673 O THR B 242 81.400 19.669 10.257 1.00105.83 O +ATOM 4674 CB THR B 242 81.975 20.454 13.195 1.00107.64 C +ATOM 4675 OG1 THR B 242 82.354 20.144 14.543 1.00107.69 O +ATOM 4676 CG2 THR B 242 80.464 20.208 13.044 1.00107.88 C +ATOM 4677 N THR B 243 83.432 20.660 10.132 1.00105.07 N +ATOM 4678 CA THR B 243 83.277 21.110 8.744 1.00103.79 C +ATOM 4679 C THR B 243 83.286 19.887 7.856 1.00102.32 C +ATOM 4680 O THR B 243 82.513 19.797 6.907 1.00102.00 O +ATOM 4681 CB THR B 243 84.440 22.061 8.305 1.00104.04 C +ATOM 4682 OG1 THR B 243 84.098 22.709 7.067 1.00103.39 O +ATOM 4683 CG2 THR B 243 85.755 21.269 8.128 1.00103.88 C +ATOM 4684 N GLN B 244 84.164 18.947 8.182 1.00100.59 N +ATOM 4685 CA GLN B 244 84.287 17.710 7.436 1.00 99.43 C +ATOM 4686 C GLN B 244 83.144 16.784 7.826 1.00 98.35 C +ATOM 4687 O GLN B 244 82.801 15.884 7.063 1.00 98.23 O +ATOM 4688 CB GLN B 244 85.663 17.093 7.738 1.00 99.87 C +ATOM 4689 CG GLN B 244 85.833 15.607 7.427 1.00100.51 C +ATOM 4690 CD GLN B 244 85.464 14.711 8.607 1.00101.06 C +ATOM 4691 OE1 GLN B 244 85.728 13.497 8.595 1.00100.98 O +ATOM 4692 NE2 GLN B 244 84.850 15.305 9.635 1.00101.29 N +ATOM 4693 N LYS B 245 82.538 17.035 8.986 1.00 97.09 N +ATOM 4694 CA LYS B 245 81.439 16.217 9.496 1.00 95.78 C +ATOM 4695 C LYS B 245 80.067 16.803 9.161 1.00 94.97 C +ATOM 4696 O LYS B 245 79.044 16.156 9.388 1.00 94.60 O +ATOM 4697 CB LYS B 245 81.567 16.058 11.008 1.00 95.95 C +ATOM 4698 CG LYS B 245 80.563 15.099 11.633 1.00 95.79 C +ATOM 4699 CD LYS B 245 80.916 13.650 11.344 1.00 95.18 C +ATOM 4700 CE LYS B 245 80.929 13.343 9.853 1.00 95.13 C +ATOM 4701 NZ LYS B 245 81.646 12.075 9.557 1.00 94.51 N +ATOM 4702 N ALA B 246 80.037 18.021 8.640 1.00 93.90 N +ATOM 4703 CA ALA B 246 78.774 18.643 8.275 1.00 92.68 C +ATOM 4704 C ALA B 246 78.569 18.463 6.799 1.00 91.39 C +ATOM 4705 O ALA B 246 77.496 18.738 6.285 1.00 90.91 O +ATOM 4706 CB ALA B 246 78.800 20.114 8.615 1.00 93.25 C +ATOM 4707 N GLU B 247 79.612 18.017 6.112 1.00 90.06 N +ATOM 4708 CA GLU B 247 79.515 17.794 4.684 1.00 89.07 C +ATOM 4709 C GLU B 247 79.017 16.414 4.459 1.00 87.62 C +ATOM 4710 O GLU B 247 78.310 16.161 3.491 1.00 87.56 O +ATOM 4711 CB GLU B 247 80.872 17.980 4.010 1.00 89.51 C +ATOM 4712 CG GLU B 247 81.107 19.406 3.535 1.00 90.69 C +ATOM 4713 CD GLU B 247 79.912 19.962 2.766 1.00 91.46 C +ATOM 4714 OE1 GLU B 247 79.479 19.312 1.787 1.00 91.94 O +ATOM 4715 OE2 GLU B 247 79.401 21.046 3.139 1.00 91.95 O +ATOM 4716 N LYS B 248 79.379 15.513 5.358 1.00 86.04 N +ATOM 4717 CA LYS B 248 78.927 14.147 5.232 1.00 85.14 C +ATOM 4718 C LYS B 248 77.417 14.126 5.371 1.00 83.97 C +ATOM 4719 O LYS B 248 76.815 13.110 5.073 1.00 84.47 O +ATOM 4720 CB LYS B 248 79.591 13.258 6.292 1.00 86.18 C +ATOM 4721 CG LYS B 248 81.098 13.481 6.368 1.00 88.26 C +ATOM 4722 CD LYS B 248 81.871 12.253 6.841 1.00 89.61 C +ATOM 4723 CE LYS B 248 83.386 12.511 6.813 1.00 89.65 C +ATOM 4724 NZ LYS B 248 83.894 12.920 5.456 1.00 89.35 N +ATOM 4725 N GLU B 249 76.802 15.231 5.802 1.00 81.82 N +ATOM 4726 CA GLU B 249 75.344 15.264 5.937 1.00 79.35 C +ATOM 4727 C GLU B 249 74.743 15.702 4.625 1.00 77.66 C +ATOM 4728 O GLU B 249 73.620 15.322 4.308 1.00 77.63 O +ATOM 4729 CB GLU B 249 74.881 16.208 7.063 1.00 79.28 C +ATOM 4730 CG GLU B 249 74.880 17.699 6.716 1.00 80.37 C +ATOM 4731 CD GLU B 249 73.641 18.455 7.235 1.00 81.31 C +ATOM 4732 OE1 GLU B 249 73.192 18.173 8.370 1.00 81.55 O +ATOM 4733 OE2 GLU B 249 73.121 19.346 6.514 1.00 81.29 O +ATOM 4734 N VAL B 250 75.479 16.503 3.865 1.00 75.53 N +ATOM 4735 CA VAL B 250 74.989 16.951 2.571 1.00 73.74 C +ATOM 4736 C VAL B 250 75.124 15.807 1.592 1.00 73.31 C +ATOM 4737 O VAL B 250 74.273 15.643 0.727 1.00 74.17 O +ATOM 4738 CB VAL B 250 75.782 18.170 2.054 1.00 72.80 C +ATOM 4739 CG1 VAL B 250 75.373 18.504 0.639 1.00 72.06 C +ATOM 4740 CG2 VAL B 250 75.513 19.366 2.942 1.00 73.02 C +ATOM 4741 N THR B 251 76.174 15.002 1.744 1.00 72.43 N +ATOM 4742 CA THR B 251 76.409 13.864 0.857 1.00 70.90 C +ATOM 4743 C THR B 251 75.287 12.835 0.990 1.00 71.00 C +ATOM 4744 O THR B 251 74.800 12.324 -0.027 1.00 71.06 O +ATOM 4745 CB THR B 251 77.762 13.179 1.179 1.00 70.17 C +ATOM 4746 OG1 THR B 251 78.829 14.113 0.991 1.00 69.85 O +ATOM 4747 CG2 THR B 251 77.994 11.995 0.269 1.00 69.39 C +ATOM 4748 N ARG B 252 74.880 12.548 2.229 1.00 70.31 N +ATOM 4749 CA ARG B 252 73.833 11.568 2.526 1.00 69.14 C +ATOM 4750 C ARG B 252 72.516 12.013 1.970 1.00 67.33 C +ATOM 4751 O ARG B 252 71.722 11.185 1.534 1.00 67.36 O +ATOM 4752 CB ARG B 252 73.757 11.364 4.026 1.00 70.35 C +ATOM 4753 CG ARG B 252 75.110 10.978 4.549 1.00 74.12 C +ATOM 4754 CD ARG B 252 75.223 11.122 6.034 1.00 78.05 C +ATOM 4755 NE ARG B 252 74.390 10.151 6.719 1.00 82.92 N +ATOM 4756 CZ ARG B 252 74.400 9.951 8.034 1.00 85.55 C +ATOM 4757 NH1 ARG B 252 75.213 10.664 8.814 1.00 86.27 N +ATOM 4758 NH2 ARG B 252 73.595 9.035 8.566 1.00 87.07 N +ATOM 4759 N MET B 253 72.263 13.312 1.990 1.00 64.91 N +ATOM 4760 CA MET B 253 71.036 13.798 1.408 1.00 62.48 C +ATOM 4761 C MET B 253 71.128 13.485 -0.067 1.00 61.85 C +ATOM 4762 O MET B 253 70.246 12.840 -0.621 1.00 62.07 O +ATOM 4763 CB MET B 253 70.904 15.294 1.611 1.00 60.29 C +ATOM 4764 CG MET B 253 69.731 15.838 0.903 1.00 57.71 C +ATOM 4765 SD MET B 253 69.388 17.394 1.560 1.00 56.85 S +ATOM 4766 CE MET B 253 68.504 18.102 0.231 1.00 56.81 C +ATOM 4767 N VAL B 254 72.222 13.920 -0.685 1.00 60.66 N +ATOM 4768 CA VAL B 254 72.474 13.693 -2.103 1.00 59.52 C +ATOM 4769 C VAL B 254 72.255 12.225 -2.466 1.00 58.79 C +ATOM 4770 O VAL B 254 71.741 11.933 -3.545 1.00 58.69 O +ATOM 4771 CB VAL B 254 73.918 14.139 -2.470 1.00 59.39 C +ATOM 4772 CG1 VAL B 254 74.363 13.530 -3.794 1.00 59.30 C +ATOM 4773 CG2 VAL B 254 73.954 15.646 -2.571 1.00 58.55 C +ATOM 4774 N ILE B 255 72.625 11.309 -1.578 1.00 58.24 N +ATOM 4775 CA ILE B 255 72.446 9.880 -1.847 1.00 57.63 C +ATOM 4776 C ILE B 255 70.983 9.521 -1.779 1.00 57.32 C +ATOM 4777 O ILE B 255 70.475 8.834 -2.660 1.00 57.37 O +ATOM 4778 CB ILE B 255 73.237 9.006 -0.834 1.00 57.37 C +ATOM 4779 CG1 ILE B 255 74.714 8.996 -1.218 1.00 57.34 C +ATOM 4780 CG2 ILE B 255 72.687 7.593 -0.793 1.00 55.05 C +ATOM 4781 CD1 ILE B 255 75.548 8.111 -0.337 1.00 58.67 C +ATOM 4782 N ILE B 256 70.317 9.980 -0.731 1.00 56.45 N +ATOM 4783 CA ILE B 256 68.903 9.718 -0.551 1.00 55.97 C +ATOM 4784 C ILE B 256 68.112 10.287 -1.708 1.00 56.69 C +ATOM 4785 O ILE B 256 67.132 9.682 -2.125 1.00 56.96 O +ATOM 4786 CB ILE B 256 68.427 10.330 0.757 1.00 54.85 C +ATOM 4787 CG1 ILE B 256 68.846 9.414 1.890 1.00 54.12 C +ATOM 4788 CG2 ILE B 256 66.942 10.585 0.729 1.00 53.91 C +ATOM 4789 CD1 ILE B 256 68.506 7.988 1.626 1.00 54.61 C +ATOM 4790 N MET B 257 68.533 11.440 -2.221 1.00 56.94 N +ATOM 4791 CA MET B 257 67.857 12.072 -3.349 1.00 57.04 C +ATOM 4792 C MET B 257 67.938 11.158 -4.581 1.00 56.92 C +ATOM 4793 O MET B 257 66.985 11.061 -5.363 1.00 57.62 O +ATOM 4794 CB MET B 257 68.503 13.432 -3.639 1.00 57.60 C +ATOM 4795 CG MET B 257 68.188 14.515 -2.598 1.00 58.48 C +ATOM 4796 SD MET B 257 69.052 16.102 -2.894 1.00 61.97 S +ATOM 4797 CE MET B 257 68.312 16.668 -4.422 1.00 60.24 C +ATOM 4798 N VAL B 258 69.072 10.487 -4.742 1.00 56.29 N +ATOM 4799 CA VAL B 258 69.286 9.572 -5.854 1.00 55.39 C +ATOM 4800 C VAL B 258 68.393 8.355 -5.697 1.00 54.66 C +ATOM 4801 O VAL B 258 67.795 7.904 -6.667 1.00 54.05 O +ATOM 4802 CB VAL B 258 70.755 9.142 -5.898 1.00 55.06 C +ATOM 4803 CG1 VAL B 258 70.954 8.043 -6.903 1.00 55.21 C +ATOM 4804 CG2 VAL B 258 71.606 10.332 -6.252 1.00 55.49 C +ATOM 4805 N ILE B 259 68.317 7.827 -4.479 1.00 54.49 N +ATOM 4806 CA ILE B 259 67.482 6.662 -4.184 1.00 53.96 C +ATOM 4807 C ILE B 259 66.048 6.986 -4.556 1.00 53.53 C +ATOM 4808 O ILE B 259 65.439 6.280 -5.358 1.00 53.59 O +ATOM 4809 CB ILE B 259 67.467 6.315 -2.672 1.00 54.36 C +ATOM 4810 CG1 ILE B 259 68.847 6.525 -2.045 1.00 54.35 C +ATOM 4811 CG2 ILE B 259 67.015 4.874 -2.484 1.00 53.68 C +ATOM 4812 CD1 ILE B 259 69.847 5.497 -2.431 1.00 54.41 C +ATOM 4813 N ALA B 260 65.522 8.057 -3.959 1.00 52.41 N +ATOM 4814 CA ALA B 260 64.159 8.505 -4.193 1.00 51.30 C +ATOM 4815 C ALA B 260 63.906 8.599 -5.672 1.00 50.94 C +ATOM 4816 O ALA B 260 62.872 8.166 -6.151 1.00 51.79 O +ATOM 4817 CB ALA B 260 63.937 9.856 -3.531 1.00 50.75 C +ATOM 4818 N PHE B 261 64.857 9.148 -6.406 1.00 50.28 N +ATOM 4819 CA PHE B 261 64.687 9.288 -7.837 1.00 49.38 C +ATOM 4820 C PHE B 261 64.542 7.939 -8.503 1.00 49.58 C +ATOM 4821 O PHE B 261 63.659 7.766 -9.331 1.00 49.61 O +ATOM 4822 CB PHE B 261 65.881 10.020 -8.448 1.00 49.10 C +ATOM 4823 CG PHE B 261 65.787 10.175 -9.937 1.00 48.84 C +ATOM 4824 CD1 PHE B 261 65.138 11.271 -10.496 1.00 48.73 C +ATOM 4825 CD2 PHE B 261 66.291 9.192 -10.786 1.00 48.96 C +ATOM 4826 CE1 PHE B 261 64.988 11.389 -11.885 1.00 49.63 C +ATOM 4827 CE2 PHE B 261 66.146 9.295 -12.179 1.00 49.16 C +ATOM 4828 CZ PHE B 261 65.492 10.398 -12.730 1.00 49.57 C +ATOM 4829 N LEU B 262 65.410 6.995 -8.164 1.00 49.77 N +ATOM 4830 CA LEU B 262 65.382 5.676 -8.788 1.00 50.92 C +ATOM 4831 C LEU B 262 64.088 4.960 -8.486 1.00 50.97 C +ATOM 4832 O LEU B 262 63.518 4.307 -9.358 1.00 51.11 O +ATOM 4833 CB LEU B 262 66.590 4.855 -8.318 1.00 51.67 C +ATOM 4834 CG LEU B 262 67.944 5.449 -8.761 1.00 53.36 C +ATOM 4835 CD1 LEU B 262 69.113 4.622 -8.237 1.00 53.09 C +ATOM 4836 CD2 LEU B 262 67.988 5.509 -10.283 1.00 53.46 C +ATOM 4837 N ILE B 263 63.622 5.089 -7.256 1.00 50.48 N +ATOM 4838 CA ILE B 263 62.376 4.467 -6.836 1.00 50.00 C +ATOM 4839 C ILE B 263 61.233 5.099 -7.601 1.00 50.74 C +ATOM 4840 O ILE B 263 60.181 4.497 -7.785 1.00 51.34 O +ATOM 4841 CB ILE B 263 62.142 4.697 -5.333 1.00 48.55 C +ATOM 4842 CG1 ILE B 263 63.241 4.004 -4.535 1.00 47.59 C +ATOM 4843 CG2 ILE B 263 60.775 4.206 -4.930 1.00 48.18 C +ATOM 4844 CD1 ILE B 263 63.182 4.274 -3.068 1.00 46.97 C +ATOM 4845 N CYS B 264 61.443 6.320 -8.059 1.00 50.43 N +ATOM 4846 CA CYS B 264 60.410 7.027 -8.783 1.00 50.03 C +ATOM 4847 C CYS B 264 60.435 6.699 -10.265 1.00 49.44 C +ATOM 4848 O CYS B 264 59.367 6.610 -10.867 1.00 48.86 O +ATOM 4849 CB CYS B 264 60.616 8.536 -8.607 1.00 50.86 C +ATOM 4850 SG CYS B 264 59.143 9.492 -8.170 1.00 54.67 S +ATOM 4851 N TRP B 265 61.617 6.460 -10.839 1.00 48.03 N +ATOM 4852 CA TRP B 265 61.697 6.297 -12.295 1.00 46.33 C +ATOM 4853 C TRP B 265 62.118 4.956 -12.816 1.00 46.53 C +ATOM 4854 O TRP B 265 61.909 4.705 -14.006 1.00 47.40 O +ATOM 4855 CB TRP B 265 62.610 7.383 -12.889 1.00 44.55 C +ATOM 4856 CG TRP B 265 62.059 8.745 -12.640 1.00 42.09 C +ATOM 4857 CD1 TRP B 265 62.352 9.573 -11.594 1.00 41.74 C +ATOM 4858 CD2 TRP B 265 61.019 9.395 -13.391 1.00 41.55 C +ATOM 4859 NE1 TRP B 265 61.555 10.699 -11.645 1.00 41.57 N +ATOM 4860 CE2 TRP B 265 60.731 10.614 -12.737 1.00 40.71 C +ATOM 4861 CE3 TRP B 265 60.300 9.062 -14.555 1.00 41.60 C +ATOM 4862 CZ2 TRP B 265 59.756 11.501 -13.209 1.00 41.65 C +ATOM 4863 CZ3 TRP B 265 59.333 9.943 -15.020 1.00 39.86 C +ATOM 4864 CH2 TRP B 265 59.071 11.147 -14.347 1.00 41.10 C +ATOM 4865 N LEU B 266 62.726 4.103 -12.015 1.00 45.67 N +ATOM 4866 CA LEU B 266 63.083 2.822 -12.587 1.00 45.44 C +ATOM 4867 C LEU B 266 61.818 2.098 -12.954 1.00 46.05 C +ATOM 4868 O LEU B 266 61.716 1.581 -14.057 1.00 47.23 O +ATOM 4869 CB LEU B 266 63.917 1.991 -11.618 1.00 45.39 C +ATOM 4870 CG LEU B 266 65.423 2.098 -11.831 1.00 44.77 C +ATOM 4871 CD1 LEU B 266 65.790 3.519 -12.218 1.00 45.34 C +ATOM 4872 CD2 LEU B 266 66.137 1.686 -10.574 1.00 44.33 C +ATOM 4873 N PRO B 267 60.824 2.058 -12.054 1.00 45.88 N +ATOM 4874 CA PRO B 267 59.627 1.344 -12.477 1.00 45.57 C +ATOM 4875 C PRO B 267 59.069 1.883 -13.781 1.00 45.80 C +ATOM 4876 O PRO B 267 58.723 1.100 -14.646 1.00 46.58 O +ATOM 4877 CB PRO B 267 58.677 1.514 -11.288 1.00 44.92 C +ATOM 4878 CG PRO B 267 59.175 2.743 -10.597 1.00 45.74 C +ATOM 4879 CD PRO B 267 60.661 2.609 -10.700 1.00 45.86 C +ATOM 4880 N TYR B 268 59.011 3.203 -13.939 1.00 45.32 N +ATOM 4881 CA TYR B 268 58.483 3.789 -15.164 1.00 44.94 C +ATOM 4882 C TYR B 268 59.371 3.465 -16.331 1.00 46.26 C +ATOM 4883 O TYR B 268 58.920 2.919 -17.333 1.00 46.46 O +ATOM 4884 CB TYR B 268 58.409 5.294 -15.051 1.00 43.36 C +ATOM 4885 CG TYR B 268 57.960 5.930 -16.332 1.00 42.01 C +ATOM 4886 CD1 TYR B 268 56.610 6.031 -16.635 1.00 42.61 C +ATOM 4887 CD2 TYR B 268 58.878 6.415 -17.250 1.00 41.53 C +ATOM 4888 CE1 TYR B 268 56.178 6.605 -17.815 1.00 42.66 C +ATOM 4889 CE2 TYR B 268 58.465 6.992 -18.439 1.00 41.90 C +ATOM 4890 CZ TYR B 268 57.106 7.088 -18.717 1.00 42.37 C +ATOM 4891 OH TYR B 268 56.662 7.678 -19.883 1.00 42.30 O +ATOM 4892 N ALA B 269 60.638 3.847 -16.208 1.00 46.88 N +ATOM 4893 CA ALA B 269 61.623 3.617 -17.252 1.00 47.53 C +ATOM 4894 C ALA B 269 61.583 2.174 -17.656 1.00 47.92 C +ATOM 4895 O ALA B 269 61.731 1.866 -18.824 1.00 48.54 O +ATOM 4896 CB ALA B 269 63.004 3.978 -16.749 1.00 47.36 C +ATOM 4897 N GLY B 270 61.369 1.296 -16.686 1.00 47.83 N +ATOM 4898 CA GLY B 270 61.311 -0.125 -16.969 1.00 47.42 C +ATOM 4899 C GLY B 270 60.124 -0.516 -17.834 1.00 47.25 C +ATOM 4900 O GLY B 270 60.290 -1.215 -18.824 1.00 47.73 O +ATOM 4901 N VAL B 271 58.920 -0.081 -17.450 1.00 46.34 N +ATOM 4902 CA VAL B 271 57.704 -0.398 -18.197 1.00 44.94 C +ATOM 4903 C VAL B 271 57.832 0.175 -19.579 1.00 44.96 C +ATOM 4904 O VAL B 271 57.469 -0.470 -20.565 1.00 44.18 O +ATOM 4905 CB VAL B 271 56.478 0.226 -17.541 1.00 44.40 C +ATOM 4906 CG1 VAL B 271 55.276 -0.060 -18.363 1.00 45.04 C +ATOM 4907 CG2 VAL B 271 56.293 -0.320 -16.150 1.00 43.76 C +ATOM 4908 N ALA B 272 58.360 1.397 -19.632 1.00 45.64 N +ATOM 4909 CA ALA B 272 58.583 2.140 -20.878 1.00 45.13 C +ATOM 4910 C ALA B 272 59.491 1.364 -21.791 1.00 44.81 C +ATOM 4911 O ALA B 272 59.229 1.266 -22.977 1.00 44.89 O +ATOM 4912 CB ALA B 272 59.207 3.502 -20.575 1.00 44.63 C +ATOM 4913 N PHE B 273 60.567 0.817 -21.242 1.00 45.19 N +ATOM 4914 CA PHE B 273 61.505 0.063 -22.049 1.00 44.71 C +ATOM 4915 C PHE B 273 60.937 -1.277 -22.398 1.00 44.10 C +ATOM 4916 O PHE B 273 61.244 -1.810 -23.444 1.00 44.35 O +ATOM 4917 CB PHE B 273 62.827 -0.134 -21.325 1.00 46.55 C +ATOM 4918 CG PHE B 273 63.901 -0.665 -22.212 1.00 48.53 C +ATOM 4919 CD1 PHE B 273 64.455 0.142 -23.207 1.00 49.50 C +ATOM 4920 CD2 PHE B 273 64.298 -1.995 -22.124 1.00 49.56 C +ATOM 4921 CE1 PHE B 273 65.388 -0.373 -24.112 1.00 50.92 C +ATOM 4922 CE2 PHE B 273 65.233 -2.526 -23.025 1.00 50.61 C +ATOM 4923 CZ PHE B 273 65.777 -1.712 -24.023 1.00 50.47 C +ATOM 4924 N TYR B 274 60.116 -1.838 -21.532 1.00 43.68 N +ATOM 4925 CA TYR B 274 59.540 -3.126 -21.845 1.00 43.68 C +ATOM 4926 C TYR B 274 58.622 -3.010 -23.061 1.00 44.96 C +ATOM 4927 O TYR B 274 58.704 -3.839 -23.966 1.00 46.46 O +ATOM 4928 CB TYR B 274 58.743 -3.648 -20.674 1.00 42.52 C +ATOM 4929 CG TYR B 274 58.025 -4.901 -21.036 1.00 42.76 C +ATOM 4930 CD1 TYR B 274 58.627 -6.140 -20.866 1.00 42.66 C +ATOM 4931 CD2 TYR B 274 56.747 -4.851 -21.599 1.00 44.11 C +ATOM 4932 CE1 TYR B 274 57.979 -7.315 -21.247 1.00 42.56 C +ATOM 4933 CE2 TYR B 274 56.086 -6.018 -21.987 1.00 44.44 C +ATOM 4934 CZ TYR B 274 56.712 -7.249 -21.804 1.00 43.67 C +ATOM 4935 OH TYR B 274 56.054 -8.405 -22.176 1.00 44.70 O +ATOM 4936 N ILE B 275 57.749 -2.004 -23.066 1.00 44.74 N +ATOM 4937 CA ILE B 275 56.806 -1.753 -24.153 1.00 44.24 C +ATOM 4938 C ILE B 275 57.512 -1.439 -25.469 1.00 45.14 C +ATOM 4939 O ILE B 275 57.000 -1.806 -26.519 1.00 45.37 O +ATOM 4940 CB ILE B 275 55.925 -0.555 -23.820 1.00 44.45 C +ATOM 4941 CG1 ILE B 275 54.959 -0.925 -22.696 1.00 45.20 C +ATOM 4942 CG2 ILE B 275 55.243 -0.039 -25.081 1.00 43.57 C +ATOM 4943 CD1 ILE B 275 54.221 0.282 -22.105 1.00 45.29 C +ATOM 4944 N PHE B 276 58.652 -0.747 -25.421 1.00 45.59 N +ATOM 4945 CA PHE B 276 59.397 -0.374 -26.633 1.00 45.33 C +ATOM 4946 C PHE B 276 59.997 -1.604 -27.311 1.00 45.90 C +ATOM 4947 O PHE B 276 60.102 -1.649 -28.542 1.00 47.68 O +ATOM 4948 CB PHE B 276 60.517 0.609 -26.283 1.00 44.11 C +ATOM 4949 CG PHE B 276 61.334 1.046 -27.470 1.00 43.17 C +ATOM 4950 CD1 PHE B 276 60.795 1.895 -28.432 1.00 43.16 C +ATOM 4951 CD2 PHE B 276 62.656 0.634 -27.615 1.00 42.98 C +ATOM 4952 CE1 PHE B 276 61.562 2.331 -29.512 1.00 41.69 C +ATOM 4953 CE2 PHE B 276 63.428 1.068 -28.697 1.00 41.48 C +ATOM 4954 CZ PHE B 276 62.880 1.918 -29.642 1.00 40.83 C +ATOM 4955 N THR B 277 60.376 -2.599 -26.520 1.00 45.33 N +ATOM 4956 CA THR B 277 60.968 -3.816 -27.055 1.00 44.36 C +ATOM 4957 C THR B 277 59.916 -4.933 -27.191 1.00 44.40 C +ATOM 4958 O THR B 277 60.262 -6.088 -27.439 1.00 43.93 O +ATOM 4959 CB THR B 277 62.142 -4.279 -26.146 1.00 44.04 C +ATOM 4960 OG1 THR B 277 61.643 -4.667 -24.851 1.00 42.80 O +ATOM 4961 CG2 THR B 277 63.159 -3.136 -25.988 1.00 43.19 C +ATOM 4962 N HIS B 278 58.645 -4.586 -27.031 1.00 44.13 N +ATOM 4963 CA HIS B 278 57.546 -5.548 -27.140 1.00 44.04 C +ATOM 4964 C HIS B 278 56.292 -4.796 -27.573 1.00 43.77 C +ATOM 4965 O HIS B 278 55.220 -4.979 -27.003 1.00 42.86 O +ATOM 4966 CB HIS B 278 57.275 -6.228 -25.790 1.00 44.88 C +ATOM 4967 CG HIS B 278 58.368 -7.139 -25.311 1.00 46.31 C +ATOM 4968 ND1 HIS B 278 59.203 -6.812 -24.265 1.00 46.99 N +ATOM 4969 CD2 HIS B 278 58.694 -8.407 -25.667 1.00 47.10 C +ATOM 4970 CE1 HIS B 278 59.988 -7.841 -23.993 1.00 47.77 C +ATOM 4971 NE2 HIS B 278 59.699 -8.824 -24.829 1.00 47.19 N +ATOM 4972 N GLN B 279 56.441 -3.956 -28.588 1.00 44.35 N +ATOM 4973 CA GLN B 279 55.347 -3.128 -29.110 1.00 45.61 C +ATOM 4974 C GLN B 279 54.242 -3.986 -29.761 1.00 45.92 C +ATOM 4975 O GLN B 279 54.558 -4.912 -30.476 1.00 47.06 O +ATOM 4976 CB GLN B 279 55.932 -2.119 -30.125 1.00 45.24 C +ATOM 4977 CG GLN B 279 57.412 -1.794 -29.874 1.00 45.81 C +ATOM 4978 CD GLN B 279 57.937 -0.653 -30.723 1.00 46.19 C +ATOM 4979 OE1 GLN B 279 57.762 0.520 -30.395 1.00 47.26 O +ATOM 4980 NE2 GLN B 279 58.585 -0.996 -31.828 1.00 46.15 N +ATOM 4981 N GLY B 280 52.967 -3.690 -29.509 1.00 45.76 N +ATOM 4982 CA GLY B 280 51.900 -4.466 -30.126 1.00 45.49 C +ATOM 4983 C GLY B 280 51.502 -5.716 -29.359 1.00 46.22 C +ATOM 4984 O GLY B 280 50.473 -6.342 -29.651 1.00 45.55 O +ATOM 4985 N SER B 281 52.326 -6.078 -28.382 1.00 46.61 N +ATOM 4986 CA SER B 281 52.061 -7.240 -27.550 1.00 47.61 C +ATOM 4987 C SER B 281 50.846 -6.945 -26.735 1.00 48.19 C +ATOM 4988 O SER B 281 50.286 -5.835 -26.834 1.00 49.31 O +ATOM 4989 CB SER B 281 53.234 -7.543 -26.622 1.00 47.58 C +ATOM 4990 OG SER B 281 53.418 -6.505 -25.674 1.00 48.40 O +ATOM 4991 N ASP B 282 50.473 -7.889 -25.876 1.00 48.12 N +ATOM 4992 CA ASP B 282 49.246 -7.748 -25.103 1.00 47.14 C +ATOM 4993 C ASP B 282 49.362 -7.239 -23.679 1.00 45.94 C +ATOM 4994 O ASP B 282 49.389 -8.029 -22.744 1.00 46.73 O +ATOM 4995 CB ASP B 282 48.499 -9.072 -25.099 1.00 48.23 C +ATOM 4996 CG ASP B 282 47.029 -8.879 -24.880 1.00 50.27 C +ATOM 4997 OD1 ASP B 282 46.599 -7.698 -24.898 1.00 50.81 O +ATOM 4998 OD2 ASP B 282 46.313 -9.895 -24.701 1.00 51.89 O +ATOM 4999 N PHE B 283 49.378 -5.922 -23.519 1.00 44.03 N +ATOM 5000 CA PHE B 283 49.412 -5.308 -22.201 1.00 41.77 C +ATOM 5001 C PHE B 283 48.206 -4.400 -22.135 1.00 40.77 C +ATOM 5002 O PHE B 283 47.757 -3.923 -23.183 1.00 41.09 O +ATOM 5003 CB PHE B 283 50.696 -4.505 -22.006 1.00 41.63 C +ATOM 5004 CG PHE B 283 50.992 -3.555 -23.123 1.00 42.07 C +ATOM 5005 CD1 PHE B 283 51.752 -3.958 -24.211 1.00 41.80 C +ATOM 5006 CD2 PHE B 283 50.492 -2.261 -23.105 1.00 42.74 C +ATOM 5007 CE1 PHE B 283 52.009 -3.090 -25.261 1.00 42.05 C +ATOM 5008 CE2 PHE B 283 50.746 -1.382 -24.158 1.00 42.10 C +ATOM 5009 CZ PHE B 283 51.503 -1.800 -25.234 1.00 42.22 C +ATOM 5010 N GLY B 284 47.666 -4.170 -20.941 1.00 40.01 N +ATOM 5011 CA GLY B 284 46.492 -3.321 -20.814 1.00 38.38 C +ATOM 5012 C GLY B 284 46.803 -1.932 -20.316 1.00 38.17 C +ATOM 5013 O GLY B 284 47.954 -1.587 -20.156 1.00 38.63 O +ATOM 5014 N PRO B 285 45.781 -1.110 -20.058 1.00 38.19 N +ATOM 5015 CA PRO B 285 45.956 0.260 -19.572 1.00 38.64 C +ATOM 5016 C PRO B 285 46.569 0.406 -18.187 1.00 40.21 C +ATOM 5017 O PRO B 285 47.346 1.326 -17.965 1.00 41.47 O +ATOM 5018 CB PRO B 285 44.541 0.835 -19.651 1.00 37.92 C +ATOM 5019 CG PRO B 285 43.679 -0.360 -19.450 1.00 36.97 C +ATOM 5020 CD PRO B 285 44.358 -1.402 -20.294 1.00 37.50 C +ATOM 5021 N ILE B 286 46.239 -0.492 -17.263 1.00 41.36 N +ATOM 5022 CA ILE B 286 46.767 -0.420 -15.893 1.00 41.30 C +ATOM 5023 C ILE B 286 48.270 -0.585 -15.881 1.00 41.54 C +ATOM 5024 O ILE B 286 48.972 0.006 -15.039 1.00 42.39 O +ATOM 5025 CB ILE B 286 46.161 -1.510 -15.012 1.00 40.81 C +ATOM 5026 CG1 ILE B 286 44.637 -1.404 -15.048 1.00 41.59 C +ATOM 5027 CG2 ILE B 286 46.682 -1.376 -13.601 1.00 40.56 C +ATOM 5028 CD1 ILE B 286 44.098 -0.024 -14.690 1.00 42.26 C +ATOM 5029 N PHE B 287 48.749 -1.408 -16.808 1.00 41.41 N +ATOM 5030 CA PHE B 287 50.163 -1.697 -16.971 1.00 40.33 C +ATOM 5031 C PHE B 287 51.004 -0.422 -16.794 1.00 40.77 C +ATOM 5032 O PHE B 287 51.837 -0.369 -15.885 1.00 40.87 O +ATOM 5033 CB PHE B 287 50.390 -2.322 -18.360 1.00 38.72 C +ATOM 5034 CG PHE B 287 51.790 -2.792 -18.600 1.00 36.76 C +ATOM 5035 CD1 PHE B 287 52.479 -3.505 -17.628 1.00 36.46 C +ATOM 5036 CD2 PHE B 287 52.412 -2.558 -19.813 1.00 36.93 C +ATOM 5037 CE1 PHE B 287 53.770 -3.983 -17.857 1.00 36.54 C +ATOM 5038 CE2 PHE B 287 53.706 -3.031 -20.058 1.00 37.69 C +ATOM 5039 CZ PHE B 287 54.382 -3.746 -19.074 1.00 37.03 C +ATOM 5040 N MET B 288 50.782 0.606 -17.609 1.00 40.67 N +ATOM 5041 CA MET B 288 51.602 1.803 -17.487 1.00 40.31 C +ATOM 5042 C MET B 288 50.972 2.872 -16.608 1.00 40.71 C +ATOM 5043 O MET B 288 51.688 3.805 -16.228 1.00 41.68 O +ATOM 5044 CB MET B 288 51.924 2.379 -18.878 1.00 39.59 C +ATOM 5045 CG MET B 288 52.800 3.642 -18.879 1.00 39.33 C +ATOM 5046 SD MET B 288 54.416 3.432 -18.078 1.00 40.00 S +ATOM 5047 CE MET B 288 55.527 3.771 -19.447 1.00 37.30 C +ATOM 5048 N THR B 289 49.692 2.767 -16.253 1.00 39.60 N +ATOM 5049 CA THR B 289 49.102 3.824 -15.419 1.00 38.65 C +ATOM 5050 C THR B 289 49.757 3.930 -14.039 1.00 39.15 C +ATOM 5051 O THR B 289 50.011 5.031 -13.567 1.00 39.02 O +ATOM 5052 CB THR B 289 47.604 3.627 -15.214 1.00 37.64 C +ATOM 5053 OG1 THR B 289 46.943 3.745 -16.472 1.00 36.71 O +ATOM 5054 CG2 THR B 289 47.059 4.670 -14.263 1.00 35.50 C +ATOM 5055 N ILE B 290 50.051 2.810 -13.398 1.00 39.60 N +ATOM 5056 CA ILE B 290 50.632 2.870 -12.065 1.00 39.63 C +ATOM 5057 C ILE B 290 52.011 3.511 -12.033 1.00 39.92 C +ATOM 5058 O ILE B 290 52.171 4.554 -11.395 1.00 40.39 O +ATOM 5059 CB ILE B 290 50.711 1.497 -11.445 1.00 40.11 C +ATOM 5060 CG1 ILE B 290 49.384 0.750 -11.653 1.00 39.70 C +ATOM 5061 CG2 ILE B 290 51.101 1.653 -9.987 1.00 40.97 C +ATOM 5062 CD1 ILE B 290 48.168 1.468 -11.149 1.00 38.73 C +ATOM 5063 N PRO B 291 53.031 2.891 -12.659 1.00 39.85 N +ATOM 5064 CA PRO B 291 54.341 3.545 -12.611 1.00 39.74 C +ATOM 5065 C PRO B 291 54.347 4.975 -13.166 1.00 39.92 C +ATOM 5066 O PRO B 291 55.236 5.752 -12.799 1.00 40.39 O +ATOM 5067 CB PRO B 291 55.239 2.590 -13.405 1.00 39.32 C +ATOM 5068 CG PRO B 291 54.307 1.999 -14.398 1.00 40.03 C +ATOM 5069 CD PRO B 291 53.081 1.716 -13.547 1.00 39.63 C +ATOM 5070 N ALA B 292 53.372 5.329 -14.016 1.00 39.75 N +ATOM 5071 CA ALA B 292 53.314 6.675 -14.602 1.00 39.20 C +ATOM 5072 C ALA B 292 52.758 7.692 -13.604 1.00 39.15 C +ATOM 5073 O ALA B 292 53.348 8.783 -13.428 1.00 39.70 O +ATOM 5074 CB ALA B 292 52.477 6.669 -15.888 1.00 38.99 C +ATOM 5075 N PHE B 293 51.651 7.360 -12.940 1.00 39.27 N +ATOM 5076 CA PHE B 293 51.077 8.288 -11.983 1.00 39.44 C +ATOM 5077 C PHE B 293 51.862 8.258 -10.706 1.00 39.90 C +ATOM 5078 O PHE B 293 51.844 9.235 -9.974 1.00 39.60 O +ATOM 5079 CB PHE B 293 49.604 7.978 -11.720 1.00 38.70 C +ATOM 5080 CG PHE B 293 48.654 8.642 -12.701 1.00 38.37 C +ATOM 5081 CD1 PHE B 293 48.544 8.200 -14.026 1.00 38.24 C +ATOM 5082 CD2 PHE B 293 47.869 9.726 -12.304 1.00 38.18 C +ATOM 5083 CE1 PHE B 293 47.656 8.836 -14.946 1.00 39.09 C +ATOM 5084 CE2 PHE B 293 46.982 10.369 -13.215 1.00 38.14 C +ATOM 5085 CZ PHE B 293 46.879 9.919 -14.534 1.00 37.91 C +ATOM 5086 N PHE B 294 52.561 7.159 -10.436 1.00 40.42 N +ATOM 5087 CA PHE B 294 53.366 7.079 -9.217 1.00 40.97 C +ATOM 5088 C PHE B 294 54.568 8.002 -9.314 1.00 42.24 C +ATOM 5089 O PHE B 294 54.963 8.594 -8.312 1.00 43.33 O +ATOM 5090 CB PHE B 294 53.866 5.662 -8.970 1.00 39.37 C +ATOM 5091 CG PHE B 294 54.930 5.583 -7.917 1.00 38.59 C +ATOM 5092 CD1 PHE B 294 54.641 5.901 -6.592 1.00 39.12 C +ATOM 5093 CD2 PHE B 294 56.234 5.228 -8.249 1.00 40.05 C +ATOM 5094 CE1 PHE B 294 55.639 5.866 -5.606 1.00 40.62 C +ATOM 5095 CE2 PHE B 294 57.237 5.191 -7.275 1.00 40.30 C +ATOM 5096 CZ PHE B 294 56.935 5.512 -5.948 1.00 40.10 C +ATOM 5097 N ALA B 295 55.145 8.114 -10.511 1.00 42.91 N +ATOM 5098 CA ALA B 295 56.318 8.958 -10.742 1.00 42.73 C +ATOM 5099 C ALA B 295 55.978 10.423 -10.581 1.00 43.02 C +ATOM 5100 O ALA B 295 56.878 11.205 -10.289 1.00 44.20 O +ATOM 5101 CB ALA B 295 56.878 8.707 -12.126 1.00 42.04 C +ATOM 5102 N LYS B 296 54.719 10.813 -10.754 1.00 42.77 N +ATOM 5103 CA LYS B 296 54.375 12.221 -10.602 1.00 41.95 C +ATOM 5104 C LYS B 296 54.634 12.691 -9.198 1.00 42.06 C +ATOM 5105 O LYS B 296 54.470 13.863 -8.947 1.00 42.14 O +ATOM 5106 CB LYS B 296 52.960 12.449 -10.936 1.00 41.19 C +ATOM 5107 CG LYS B 296 52.760 12.039 -12.360 1.00 40.69 C +ATOM 5108 CD LYS B 296 51.286 12.132 -12.720 1.00 40.24 C +ATOM 5109 CE LYS B 296 50.845 12.059 -14.181 1.00 39.89 C +ATOM 5110 NZ LYS B 296 51.767 12.006 -15.339 1.00 40.48 N +ATOM 5111 N THR B 297 54.989 11.801 -8.273 1.00 42.61 N +ATOM 5112 CA THR B 297 55.296 12.245 -6.913 1.00 43.66 C +ATOM 5113 C THR B 297 56.685 12.906 -6.920 1.00 44.51 C +ATOM 5114 O THR B 297 57.151 13.427 -5.895 1.00 45.54 O +ATOM 5115 CB THR B 297 55.287 11.078 -5.865 1.00 43.34 C +ATOM 5116 OG1 THR B 297 56.192 10.039 -6.267 1.00 44.61 O +ATOM 5117 CG2 THR B 297 53.902 10.521 -5.710 1.00 42.59 C +ATOM 5118 N SER B 298 57.341 12.886 -8.076 1.00 44.44 N +ATOM 5119 CA SER B 298 58.655 13.491 -8.218 1.00 43.83 C +ATOM 5120 C SER B 298 58.540 15.000 -8.044 1.00 44.20 C +ATOM 5121 O SER B 298 59.533 15.666 -7.786 1.00 45.11 O +ATOM 5122 CB SER B 298 59.219 13.167 -9.604 1.00 42.83 C +ATOM 5123 OG SER B 298 58.340 13.609 -10.622 1.00 41.96 O +ATOM 5124 N ALA B 299 57.331 15.529 -8.178 1.00 43.63 N +ATOM 5125 CA ALA B 299 57.115 16.957 -8.051 1.00 43.86 C +ATOM 5126 C ALA B 299 57.040 17.378 -6.597 1.00 44.31 C +ATOM 5127 O ALA B 299 56.852 18.568 -6.322 1.00 45.28 O +ATOM 5128 CB ALA B 299 55.844 17.351 -8.775 1.00 42.72 C +ATOM 5129 N VAL B 300 57.244 16.452 -5.652 1.00 44.30 N +ATOM 5130 CA VAL B 300 57.155 16.857 -4.245 1.00 44.07 C +ATOM 5131 C VAL B 300 58.119 16.164 -3.282 1.00 43.78 C +ATOM 5132 O VAL B 300 58.427 16.745 -2.268 1.00 44.66 O +ATOM 5133 CB VAL B 300 55.700 16.672 -3.670 1.00 44.47 C +ATOM 5134 CG1 VAL B 300 54.656 17.301 -4.593 1.00 43.82 C +ATOM 5135 CG2 VAL B 300 55.390 15.204 -3.482 1.00 45.42 C +ATOM 5136 N TYR B 301 58.620 14.975 -3.564 1.00 43.78 N +ATOM 5137 CA TYR B 301 59.458 14.312 -2.561 1.00 44.45 C +ATOM 5138 C TYR B 301 60.766 15.009 -2.288 1.00 44.93 C +ATOM 5139 O TYR B 301 61.314 14.836 -1.207 1.00 45.63 O +ATOM 5140 CB TYR B 301 59.737 12.861 -2.958 1.00 45.71 C +ATOM 5141 CG TYR B 301 60.718 12.707 -4.098 1.00 46.31 C +ATOM 5142 CD1 TYR B 301 62.091 12.841 -3.886 1.00 47.85 C +ATOM 5143 CD2 TYR B 301 60.277 12.440 -5.399 1.00 46.21 C +ATOM 5144 CE1 TYR B 301 63.000 12.715 -4.945 1.00 47.92 C +ATOM 5145 CE2 TYR B 301 61.178 12.312 -6.454 1.00 47.75 C +ATOM 5146 CZ TYR B 301 62.532 12.453 -6.215 1.00 47.83 C +ATOM 5147 OH TYR B 301 63.416 12.341 -7.250 1.00 48.88 O +ATOM 5148 N ASN B 302 61.282 15.778 -3.242 1.00 44.85 N +ATOM 5149 CA ASN B 302 62.566 16.447 -3.043 1.00 44.29 C +ATOM 5150 C ASN B 302 62.522 17.399 -1.884 1.00 44.34 C +ATOM 5151 O ASN B 302 63.348 17.276 -0.977 1.00 44.87 O +ATOM 5152 CB ASN B 302 62.995 17.181 -4.308 1.00 44.74 C +ATOM 5153 CG ASN B 302 63.734 16.293 -5.245 1.00 45.87 C +ATOM 5154 OD1 ASN B 302 63.461 16.257 -6.439 1.00 47.74 O +ATOM 5155 ND2 ASN B 302 64.687 15.557 -4.707 1.00 44.99 N +ATOM 5156 N PRO B 303 61.578 18.366 -1.890 1.00 43.82 N +ATOM 5157 CA PRO B 303 61.505 19.309 -0.783 1.00 42.97 C +ATOM 5158 C PRO B 303 61.397 18.607 0.558 1.00 43.75 C +ATOM 5159 O PRO B 303 61.846 19.136 1.563 1.00 44.59 O +ATOM 5160 CB PRO B 303 60.263 20.132 -1.123 1.00 42.38 C +ATOM 5161 CG PRO B 303 60.271 20.162 -2.593 1.00 42.25 C +ATOM 5162 CD PRO B 303 60.583 18.718 -2.923 1.00 43.77 C +ATOM 5163 N VAL B 304 60.826 17.412 0.585 1.00 44.00 N +ATOM 5164 CA VAL B 304 60.687 16.712 1.853 1.00 44.40 C +ATOM 5165 C VAL B 304 62.027 16.170 2.353 1.00 45.74 C +ATOM 5166 O VAL B 304 62.319 16.256 3.552 1.00 44.90 O +ATOM 5167 CB VAL B 304 59.691 15.562 1.734 1.00 43.41 C +ATOM 5168 CG1 VAL B 304 59.421 14.994 3.119 1.00 42.25 C +ATOM 5169 CG2 VAL B 304 58.404 16.055 1.067 1.00 42.54 C +ATOM 5170 N ILE B 305 62.828 15.603 1.454 1.00 47.55 N +ATOM 5171 CA ILE B 305 64.127 15.072 1.850 1.00 49.56 C +ATOM 5172 C ILE B 305 64.869 16.204 2.508 1.00 50.35 C +ATOM 5173 O ILE B 305 65.346 16.082 3.623 1.00 50.79 O +ATOM 5174 CB ILE B 305 64.968 14.587 0.624 1.00 50.08 C +ATOM 5175 CG1 ILE B 305 64.174 13.594 -0.218 1.00 50.83 C +ATOM 5176 CG2 ILE B 305 66.246 13.901 1.109 1.00 51.19 C +ATOM 5177 CD1 ILE B 305 64.976 12.990 -1.332 1.00 51.52 C +ATOM 5178 N TYR B 306 64.919 17.313 1.788 1.00 50.99 N +ATOM 5179 CA TYR B 306 65.589 18.539 2.176 1.00 52.09 C +ATOM 5180 C TYR B 306 65.266 18.971 3.595 1.00 51.95 C +ATOM 5181 O TYR B 306 66.181 19.157 4.381 1.00 52.30 O +ATOM 5182 CB TYR B 306 65.165 19.613 1.186 1.00 53.79 C +ATOM 5183 CG TYR B 306 66.047 20.831 1.085 1.00 55.21 C +ATOM 5184 CD1 TYR B 306 67.391 20.800 1.468 1.00 54.93 C +ATOM 5185 CD2 TYR B 306 65.559 21.986 0.474 1.00 55.54 C +ATOM 5186 CE1 TYR B 306 68.220 21.891 1.223 1.00 54.91 C +ATOM 5187 CE2 TYR B 306 66.370 23.070 0.226 1.00 55.44 C +ATOM 5188 CZ TYR B 306 67.696 23.024 0.593 1.00 55.15 C +ATOM 5189 OH TYR B 306 68.482 24.108 0.278 1.00 55.63 O +ATOM 5190 N ILE B 307 63.987 19.150 3.914 1.00 51.94 N +ATOM 5191 CA ILE B 307 63.565 19.583 5.251 1.00 51.93 C +ATOM 5192 C ILE B 307 63.977 18.582 6.302 1.00 53.09 C +ATOM 5193 O ILE B 307 64.398 18.955 7.397 1.00 53.86 O +ATOM 5194 CB ILE B 307 62.049 19.713 5.339 1.00 50.99 C +ATOM 5195 CG1 ILE B 307 61.582 20.922 4.538 1.00 50.68 C +ATOM 5196 CG2 ILE B 307 61.626 19.807 6.787 1.00 50.76 C +ATOM 5197 CD1 ILE B 307 60.095 20.954 4.338 1.00 49.82 C +ATOM 5198 N MET B 308 63.831 17.308 5.978 1.00 53.83 N +ATOM 5199 CA MET B 308 64.171 16.253 6.901 1.00 53.92 C +ATOM 5200 C MET B 308 65.672 16.053 6.993 1.00 54.22 C +ATOM 5201 O MET B 308 66.165 15.728 8.072 1.00 53.81 O +ATOM 5202 CB MET B 308 63.507 14.966 6.438 1.00 53.79 C +ATOM 5203 CG MET B 308 62.002 15.035 6.395 1.00 55.46 C +ATOM 5204 SD MET B 308 61.289 13.937 7.630 1.00 59.06 S +ATOM 5205 CE MET B 308 60.806 12.465 6.629 1.00 57.44 C +ATOM 5206 N MET B 309 66.394 16.278 5.892 1.00 55.13 N +ATOM 5207 CA MET B 309 67.840 16.034 5.839 1.00 55.76 C +ATOM 5208 C MET B 309 68.722 17.247 5.813 1.00 56.74 C +ATOM 5209 O MET B 309 69.871 17.095 5.430 1.00 57.84 O +ATOM 5210 CB MET B 309 68.205 15.197 4.615 1.00 55.00 C +ATOM 5211 CG MET B 309 67.666 13.807 4.634 1.00 54.91 C +ATOM 5212 SD MET B 309 68.635 12.723 3.598 1.00 56.88 S +ATOM 5213 CE MET B 309 69.626 11.882 4.804 1.00 55.59 C +ATOM 5214 N ASN B 310 68.263 18.428 6.185 1.00 57.84 N +ATOM 5215 CA ASN B 310 69.196 19.549 6.140 1.00 58.65 C +ATOM 5216 C ASN B 310 68.854 20.583 7.196 1.00 59.93 C +ATOM 5217 O ASN B 310 68.140 21.553 6.933 1.00 59.83 O +ATOM 5218 CB ASN B 310 69.222 20.152 4.736 1.00 58.29 C +ATOM 5219 CG ASN B 310 70.485 20.940 4.470 1.00 58.44 C +ATOM 5220 OD1 ASN B 310 70.506 22.151 4.636 1.00 58.61 O +ATOM 5221 ND2 ASN B 310 71.553 20.249 4.069 1.00 58.42 N +ATOM 5222 N LYS B 311 69.390 20.355 8.394 1.00 61.45 N +ATOM 5223 CA LYS B 311 69.172 21.204 9.564 1.00 62.79 C +ATOM 5224 C LYS B 311 69.198 22.667 9.206 1.00 62.41 C +ATOM 5225 O LYS B 311 68.293 23.408 9.547 1.00 61.94 O +ATOM 5226 CB LYS B 311 70.249 20.902 10.616 1.00 64.69 C +ATOM 5227 CG LYS B 311 70.218 21.773 11.880 1.00 67.08 C +ATOM 5228 CD LYS B 311 69.805 20.976 13.125 1.00 69.42 C +ATOM 5229 CE LYS B 311 70.414 21.556 14.420 1.00 71.59 C +ATOM 5230 NZ LYS B 311 71.895 21.296 14.581 1.00 72.06 N +ATOM 5231 N GLN B 312 70.242 23.081 8.514 1.00 62.67 N +ATOM 5232 CA GLN B 312 70.381 24.472 8.147 1.00 63.35 C +ATOM 5233 C GLN B 312 69.137 24.986 7.494 1.00 62.46 C +ATOM 5234 O GLN B 312 68.585 25.981 7.943 1.00 62.61 O +ATOM 5235 CB GLN B 312 71.581 24.652 7.221 1.00 65.21 C +ATOM 5236 CG GLN B 312 71.709 26.057 6.666 1.00 67.87 C +ATOM 5237 CD GLN B 312 72.992 26.251 5.885 1.00 69.47 C +ATOM 5238 OE1 GLN B 312 73.177 27.267 5.197 1.00 70.28 O +ATOM 5239 NE2 GLN B 312 73.896 25.275 5.988 1.00 69.92 N +ATOM 5240 N PHE B 313 68.698 24.310 6.439 1.00 61.64 N +ATOM 5241 CA PHE B 313 67.509 24.713 5.707 1.00 60.85 C +ATOM 5242 C PHE B 313 66.279 24.628 6.586 1.00 61.16 C +ATOM 5243 O PHE B 313 65.448 25.541 6.586 1.00 61.40 O +ATOM 5244 CB PHE B 313 67.295 23.822 4.489 1.00 59.28 C +ATOM 5245 CG PHE B 313 66.069 24.183 3.703 1.00 57.46 C +ATOM 5246 CD1 PHE B 313 65.991 25.403 3.032 1.00 56.42 C +ATOM 5247 CD2 PHE B 313 64.973 23.333 3.668 1.00 57.02 C +ATOM 5248 CE1 PHE B 313 64.845 25.773 2.339 1.00 55.62 C +ATOM 5249 CE2 PHE B 313 63.819 23.699 2.975 1.00 56.02 C +ATOM 5250 CZ PHE B 313 63.760 24.922 2.311 1.00 56.21 C +ATOM 5251 N ARG B 314 66.158 23.525 7.315 1.00 61.30 N +ATOM 5252 CA ARG B 314 65.025 23.296 8.202 1.00 61.62 C +ATOM 5253 C ARG B 314 64.836 24.489 9.147 1.00 62.42 C +ATOM 5254 O ARG B 314 63.777 25.115 9.129 1.00 62.82 O +ATOM 5255 CB ARG B 314 65.265 22.008 9.006 1.00 60.89 C +ATOM 5256 CG ARG B 314 64.032 21.395 9.683 1.00 59.40 C +ATOM 5257 CD ARG B 314 64.452 20.311 10.675 1.00 57.86 C +ATOM 5258 NE ARG B 314 65.364 19.336 10.086 1.00 57.12 N +ATOM 5259 CZ ARG B 314 66.449 18.869 10.694 1.00 57.14 C +ATOM 5260 NH1 ARG B 314 66.766 19.290 11.909 1.00 57.39 N +ATOM 5261 NH2 ARG B 314 67.211 17.966 10.091 1.00 57.95 N +ATOM 5262 N ASN B 315 65.861 24.803 9.947 1.00 63.27 N +ATOM 5263 CA ASN B 315 65.821 25.894 10.938 1.00 63.16 C +ATOM 5264 C ASN B 315 65.600 27.244 10.296 1.00 62.98 C +ATOM 5265 O ASN B 315 64.863 28.077 10.830 1.00 63.00 O +ATOM 5266 CB ASN B 315 67.129 25.909 11.757 1.00 63.57 C +ATOM 5267 CG ASN B 315 67.194 24.772 12.786 1.00 64.09 C +ATOM 5268 OD1 ASN B 315 68.264 24.398 13.252 1.00 64.42 O +ATOM 5269 ND2 ASN B 315 66.034 24.234 13.150 1.00 64.62 N +ATOM 5270 N CYS B 316 66.226 27.467 9.153 1.00 62.86 N +ATOM 5271 CA CYS B 316 66.100 28.736 8.476 1.00 62.87 C +ATOM 5272 C CYS B 316 64.691 28.888 7.887 1.00 62.70 C +ATOM 5273 O CYS B 316 64.210 29.994 7.724 1.00 62.65 O +ATOM 5274 CB CYS B 316 67.257 28.844 7.465 1.00 62.54 C +ATOM 5275 SG CYS B 316 68.883 28.708 8.393 1.00 63.00 S +ATOM 5276 N MET B 317 64.008 27.773 7.643 1.00 63.35 N +ATOM 5277 CA MET B 317 62.636 27.788 7.110 1.00 63.56 C +ATOM 5278 C MET B 317 61.601 28.123 8.201 1.00 64.30 C +ATOM 5279 O MET B 317 60.690 28.921 7.969 1.00 63.66 O +ATOM 5280 CB MET B 317 62.294 26.426 6.508 1.00 63.12 C +ATOM 5281 CG MET B 317 60.799 26.114 6.517 1.00 62.72 C +ATOM 5282 SD MET B 317 60.402 24.473 5.861 1.00 64.67 S +ATOM 5283 CE MET B 317 60.324 23.427 7.377 1.00 63.34 C +ATOM 5284 N VAL B 318 61.721 27.488 9.365 1.00 65.21 N +ATOM 5285 CA VAL B 318 60.814 27.735 10.479 1.00 66.31 C +ATOM 5286 C VAL B 318 60.974 29.174 10.930 1.00 67.15 C +ATOM 5287 O VAL B 318 60.058 29.749 11.517 1.00 67.37 O +ATOM 5288 CB VAL B 318 61.110 26.786 11.653 1.00 66.46 C +ATOM 5289 CG1 VAL B 318 62.577 26.814 11.980 1.00 66.71 C +ATOM 5290 CG2 VAL B 318 60.292 27.190 12.866 1.00 67.02 C +ATOM 5291 N THR B 319 62.141 29.749 10.663 1.00 67.92 N +ATOM 5292 CA THR B 319 62.377 31.134 11.010 1.00 68.90 C +ATOM 5293 C THR B 319 61.478 31.958 10.110 1.00 69.12 C +ATOM 5294 O THR B 319 60.972 32.993 10.532 1.00 69.70 O +ATOM 5295 CB THR B 319 63.841 31.526 10.763 1.00 69.71 C +ATOM 5296 OG1 THR B 319 64.710 30.614 11.444 1.00 70.12 O +ATOM 5297 CG2 THR B 319 64.100 32.901 11.288 1.00 69.85 C +ATOM 5298 N THR B 320 61.275 31.487 8.880 1.00 68.87 N +ATOM 5299 CA THR B 320 60.416 32.168 7.909 1.00 69.18 C +ATOM 5300 C THR B 320 58.959 31.951 8.271 1.00 70.21 C +ATOM 5301 O THR B 320 58.130 32.823 8.049 1.00 69.53 O +ATOM 5302 CB THR B 320 60.649 31.639 6.477 1.00 68.42 C +ATOM 5303 OG1 THR B 320 61.975 31.963 6.060 1.00 68.18 O +ATOM 5304 CG2 THR B 320 59.670 32.259 5.500 1.00 67.46 C +ATOM 5305 N LEU B 321 58.650 30.793 8.837 1.00 72.15 N +ATOM 5306 CA LEU B 321 57.280 30.480 9.209 1.00 74.95 C +ATOM 5307 C LEU B 321 56.871 31.172 10.493 1.00 77.24 C +ATOM 5308 O LEU B 321 55.675 31.413 10.690 1.00 77.33 O +ATOM 5309 CB LEU B 321 57.097 28.973 9.368 1.00 74.23 C +ATOM 5310 CG LEU B 321 57.230 28.102 8.121 1.00 73.39 C +ATOM 5311 CD1 LEU B 321 57.180 26.666 8.576 1.00 73.50 C +ATOM 5312 CD2 LEU B 321 56.121 28.385 7.107 1.00 72.41 C +ATOM 5313 N CYS B 322 57.819 31.478 11.374 1.00 79.71 N +ATOM 5314 CA CYS B 322 57.446 32.148 12.611 1.00 82.76 C +ATOM 5315 C CYS B 322 57.412 33.597 12.349 1.00 84.91 C +ATOM 5316 O CYS B 322 57.657 34.404 13.244 1.00 85.31 O +ATOM 5317 CB CYS B 322 58.339 31.785 13.775 1.00 82.15 C +ATOM 5318 SG CYS B 322 58.097 30.038 14.099 1.00 83.70 S +ATOM 5319 N CYS B 323 57.050 33.904 11.103 1.00 87.68 N +ATOM 5320 CA CYS B 323 56.937 35.263 10.612 1.00 91.25 C +ATOM 5321 C CYS B 323 58.202 35.981 10.970 1.00 93.21 C +ATOM 5322 O CYS B 323 59.131 36.063 10.150 1.00 93.70 O +ATOM 5323 CB CYS B 323 55.720 35.937 11.230 1.00 90.94 C +ATOM 5324 SG CYS B 323 54.165 35.110 10.801 1.00 94.03 S +ATOM 5325 N GLY B 324 58.254 36.487 12.196 1.00 95.63 N +ATOM 5326 CA GLY B 324 59.443 37.175 12.650 1.00 98.12 C +ATOM 5327 C GLY B 324 60.564 36.174 12.846 1.00 99.66 C +ATOM 5328 O GLY B 324 60.903 35.409 11.935 1.00 99.36 O +ATOM 5329 N LYS B 325 61.133 36.174 14.047 1.00101.44 N +ATOM 5330 CA LYS B 325 62.228 35.276 14.373 1.00103.24 C +ATOM 5331 C LYS B 325 61.691 34.058 15.109 1.00104.20 C +ATOM 5332 O LYS B 325 60.999 33.235 14.500 1.00104.01 O +ATOM 5333 CB LYS B 325 63.294 36.014 15.217 1.00103.43 C +ATOM 5334 CG LYS B 325 63.855 37.302 14.565 1.00103.40 C +ATOM 5335 CD LYS B 325 64.864 38.022 15.466 1.00102.62 C +ATOM 5336 CE LYS B 325 65.220 39.421 14.944 1.00102.38 C +ATOM 5337 NZ LYS B 325 64.131 40.434 15.114 1.00101.55 N +ATOM 5338 N ASN B 326 61.975 33.960 16.408 1.00105.85 N +ATOM 5339 CA ASN B 326 61.556 32.810 17.208 1.00107.26 C +ATOM 5340 C ASN B 326 62.295 31.602 16.659 1.00108.35 C +ATOM 5341 O ASN B 326 61.662 30.633 16.215 1.00108.30 O +ATOM 5342 CB ASN B 326 60.036 32.585 17.108 1.00106.96 C +ATOM 5343 CG ASN B 326 59.267 33.185 18.280 1.00106.41 C +ATOM 5344 OD1 ASN B 326 59.471 32.812 19.444 1.00105.78 O +ATOM 5345 ND2 ASN B 326 58.370 34.115 17.972 1.00105.86 N +ATOM 5346 N PRO B 327 63.645 31.640 16.673 1.00109.61 N +ATOM 5347 CA PRO B 327 64.402 30.500 16.146 1.00110.49 C +ATOM 5348 C PRO B 327 64.134 29.241 16.943 1.00111.29 C +ATOM 5349 O PRO B 327 64.235 28.138 16.393 1.00111.18 O +ATOM 5350 CB PRO B 327 65.854 30.970 16.259 1.00110.51 C +ATOM 5351 CG PRO B 327 65.829 31.795 17.528 1.00110.19 C +ATOM 5352 CD PRO B 327 64.541 32.598 17.361 1.00109.79 C +ATOM 5353 N LEU B 328 63.763 29.423 18.215 1.00112.33 N +ATOM 5354 CA LEU B 328 63.507 28.330 19.152 1.00113.36 C +ATOM 5355 C LEU B 328 64.433 27.185 18.826 1.00114.59 C +ATOM 5356 O LEU B 328 65.599 27.451 18.531 1.00114.81 O +ATOM 5357 CB LEU B 328 62.034 27.889 19.121 1.00112.90 C +ATOM 5358 CG LEU B 328 60.989 28.806 19.783 1.00112.72 C +ATOM 5359 CD1 LEU B 328 61.462 29.272 21.151 1.00112.16 C +ATOM 5360 CD2 LEU B 328 60.737 30.000 18.898 1.00112.02 C +ATOM 5361 N GLY B 329 63.948 25.945 18.866 1.00115.79 N +ATOM 5362 CA GLY B 329 64.814 24.811 18.568 1.00117.25 C +ATOM 5363 C GLY B 329 66.243 25.039 19.062 1.00118.13 C +ATOM 5364 O GLY B 329 66.451 25.466 20.209 1.00118.44 O +ATOM 5365 N ASP B 330 67.229 24.763 18.205 1.00118.50 N +ATOM 5366 CA ASP B 330 68.635 24.966 18.566 1.00118.49 C +ATOM 5367 C ASP B 330 69.370 25.610 17.407 1.00118.91 C +ATOM 5368 O ASP B 330 70.510 25.219 17.096 1.00118.84 O +ATOM 5369 CB ASP B 330 69.300 23.639 18.942 1.00117.76 C +ATOM 5370 CG ASP B 330 69.872 23.668 20.337 1.00117.38 C +ATOM 5371 OD1 ASP B 330 70.649 24.599 20.629 1.00117.10 O +ATOM 5372 OD2 ASP B 330 69.542 22.773 21.139 1.00117.17 O +ATOM 5373 N ASP B 331 68.718 26.608 16.801 1.00119.37 N +ATOM 5374 CA ASP B 331 69.228 27.342 15.643 1.00119.77 C +ATOM 5375 C ASP B 331 69.917 26.396 14.706 1.00120.58 C +ATOM 5376 O ASP B 331 69.887 25.175 14.920 1.00120.90 O +ATOM 5377 CB ASP B 331 70.195 28.462 16.050 1.00118.40 C +ATOM 5378 CG ASP B 331 69.475 29.725 16.486 1.00117.65 C +ATOM 5379 OD1 ASP B 331 70.055 30.821 16.323 1.00116.75 O +ATOM 5380 OD2 ASP B 331 68.339 29.624 16.998 1.00116.97 O +ATOM 5381 N GLU B 332 70.527 26.935 13.659 1.00121.29 N +ATOM 5382 CA GLU B 332 71.225 26.086 12.713 1.00121.67 C +ATOM 5383 C GLU B 332 72.508 25.564 13.389 1.00121.62 C +ATOM 5384 O GLU B 332 73.102 24.582 12.921 1.00121.44 O +ATOM 5385 CB GLU B 332 71.538 26.897 11.456 1.00121.72 C +ATOM 5386 CG GLU B 332 71.788 26.089 10.191 1.00122.57 C +ATOM 5387 CD GLU B 332 73.021 25.168 10.246 1.00122.84 C +ATOM 5388 OE1 GLU B 332 72.907 24.016 10.728 1.00122.48 O +ATOM 5389 OE2 GLU B 332 74.110 25.595 9.798 1.00122.86 O +ATOM 5390 N ALA B 333 72.890 26.191 14.508 1.00121.24 N +ATOM 5391 CA ALA B 333 74.108 25.842 15.265 1.00120.32 C +ATOM 5392 C ALA B 333 75.293 26.536 14.582 1.00119.37 C +ATOM 5393 O ALA B 333 76.024 27.316 15.226 1.00118.75 O +ATOM 5394 CB ALA B 333 74.317 24.302 15.307 1.00120.25 C +ATOM 5395 N SER B 334 75.467 26.243 13.289 1.00118.03 N +ATOM 5396 CA SER B 334 76.503 26.857 12.449 1.00116.37 C +ATOM 5397 C SER B 334 75.882 28.160 11.934 1.00115.24 C +ATOM 5398 O SER B 334 75.355 28.941 12.743 1.00115.25 O +ATOM 5399 CB SER B 334 76.856 25.945 11.248 1.00115.92 C +ATOM 5400 OG SER B 334 77.244 24.636 11.644 1.00115.53 O +ATOM 5401 N THR B 335 75.917 28.384 10.620 1.00113.56 N +ATOM 5402 CA THR B 335 75.321 29.582 10.017 1.00111.87 C +ATOM 5403 C THR B 335 73.778 29.496 10.162 1.00110.84 C +ATOM 5404 O THR B 335 73.266 28.406 10.348 1.00110.27 O +ATOM 5405 CB THR B 335 75.755 29.695 8.519 1.00111.77 C +ATOM 5406 OG1 THR B 335 75.520 28.445 7.849 1.00111.09 O +ATOM 5407 CG2 THR B 335 77.252 30.037 8.418 1.00111.13 C +ATOM 5408 N THR B 336 73.051 30.615 10.106 1.00109.93 N +ATOM 5409 CA THR B 336 71.582 30.577 10.254 1.00108.82 C +ATOM 5410 C THR B 336 70.893 31.513 9.260 1.00108.43 C +ATOM 5411 O THR B 336 70.058 31.073 8.469 1.00108.18 O +ATOM 5412 CB THR B 336 71.136 30.982 11.692 1.00108.58 C +ATOM 5413 OG1 THR B 336 71.872 32.142 12.122 1.00107.91 O +ATOM 5414 CG2 THR B 336 71.350 29.829 12.672 1.00108.36 C +ATOM 5415 N VAL B 337 71.252 32.794 9.333 1.00108.07 N +ATOM 5416 CA VAL B 337 70.749 33.903 8.498 1.00107.38 C +ATOM 5417 C VAL B 337 69.338 33.796 7.944 1.00106.64 C +ATOM 5418 O VAL B 337 68.621 32.818 8.130 1.00106.10 O +ATOM 5419 CB VAL B 337 71.726 34.249 7.318 1.00107.10 C +ATOM 5420 CG1 VAL B 337 73.066 33.536 7.519 1.00106.83 C +ATOM 5421 CG2 VAL B 337 71.068 33.959 5.967 1.00106.32 C +ATOM 5422 N SER B 338 68.961 34.874 7.268 1.00106.15 N +ATOM 5423 CA SER B 338 67.666 35.014 6.646 1.00105.97 C +ATOM 5424 C SER B 338 67.726 36.215 5.722 1.00106.61 C +ATOM 5425 O SER B 338 68.804 36.491 5.176 1.00106.32 O +ATOM 5426 CB SER B 338 66.604 35.205 7.718 1.00105.01 C +ATOM 5427 OG SER B 338 66.739 34.205 8.719 1.00104.58 O +ATOM 5428 N LYS B 339 66.608 36.924 5.541 1.00107.20 N +ATOM 5429 CA LYS B 339 66.584 38.096 4.654 1.00107.87 C +ATOM 5430 C LYS B 339 67.296 39.266 5.344 1.00109.04 C +ATOM 5431 O LYS B 339 68.060 39.996 4.682 1.00108.83 O +ATOM 5432 CB LYS B 339 65.125 38.472 4.287 1.00106.77 C +ATOM 5433 CG LYS B 339 64.962 39.388 3.043 1.00105.23 C +ATOM 5434 CD LYS B 339 64.392 38.663 1.799 1.00103.89 C +ATOM 5435 CE LYS B 339 62.873 38.420 1.890 1.00103.22 C +ATOM 5436 NZ LYS B 339 62.293 37.667 0.725 1.00101.93 N +ATOM 5437 N THR B 340 67.065 39.428 6.653 1.00110.02 N +ATOM 5438 CA THR B 340 67.685 40.507 7.442 1.00111.06 C +ATOM 5439 C THR B 340 67.996 40.053 8.884 1.00111.59 C +ATOM 5440 O THR B 340 69.133 40.231 9.335 1.00111.84 O +ATOM 5441 CB THR B 340 66.775 41.799 7.490 1.00111.08 C +ATOM 5442 OG1 THR B 340 67.490 42.879 8.116 1.00110.92 O +ATOM 5443 CG2 THR B 340 65.476 41.535 8.266 1.00110.78 C +ATOM 5444 N GLU B 341 67.008 39.479 9.578 1.00111.73 N +ATOM 5445 CA GLU B 341 67.127 39.009 10.975 1.00111.60 C +ATOM 5446 C GLU B 341 68.529 38.489 11.344 1.00111.29 C +ATOM 5447 O GLU B 341 69.280 39.211 12.023 1.00111.27 O +ATOM 5448 CB GLU B 341 66.090 37.915 11.238 1.00112.26 C +ATOM 5449 CG GLU B 341 65.981 36.962 10.076 1.00113.21 C +ATOM 5450 CD GLU B 341 65.442 35.611 10.454 1.00113.69 C +ATOM 5451 OE1 GLU B 341 66.087 34.908 11.274 1.00113.74 O +ATOM 5452 OE2 GLU B 341 64.376 35.254 9.906 1.00113.44 O +ATOM 5453 N THR B 342 68.866 37.258 10.940 1.00110.70 N +ATOM 5454 CA THR B 342 70.179 36.663 11.242 1.00110.06 C +ATOM 5455 C THR B 342 71.041 36.525 9.954 1.00110.41 C +ATOM 5456 O THR B 342 71.994 35.727 9.940 1.00110.83 O +ATOM 5457 CB THR B 342 70.004 35.264 11.995 1.00109.28 C +ATOM 5458 OG1 THR B 342 71.284 34.635 12.188 1.00108.28 O +ATOM 5459 CG2 THR B 342 69.054 34.328 11.229 1.00108.20 C +ATOM 5460 N SER B 343 70.728 37.335 8.925 1.00110.15 N +ATOM 5461 CA SER B 343 71.399 37.366 7.597 1.00109.93 C +ATOM 5462 C SER B 343 72.875 37.834 7.636 1.00109.81 C +ATOM 5463 O SER B 343 73.587 37.723 6.613 1.00109.86 O +ATOM 5464 CB SER B 343 70.608 38.273 6.637 1.00109.67 C +ATOM 5465 OG SER B 343 71.261 38.418 5.383 1.00110.22 O +ATOM 5466 N GLN B 344 73.312 38.357 8.782 1.00109.22 N +ATOM 5467 CA GLN B 344 74.681 38.834 8.999 1.00108.57 C +ATOM 5468 C GLN B 344 75.703 37.781 8.547 1.00108.89 C +ATOM 5469 O GLN B 344 75.746 36.673 9.103 1.00108.34 O +ATOM 5470 CB GLN B 344 74.858 39.144 10.492 1.00107.77 C +ATOM 5471 CG GLN B 344 74.414 37.984 11.396 1.00107.29 C +ATOM 5472 CD GLN B 344 73.902 38.426 12.769 1.00107.32 C +ATOM 5473 OE1 GLN B 344 73.117 39.378 12.878 1.00106.91 O +ATOM 5474 NE2 GLN B 344 74.324 37.715 13.822 1.00106.94 N +ATOM 5475 N VAL B 345 76.519 38.125 7.549 1.00109.33 N +ATOM 5476 CA VAL B 345 77.530 37.200 7.038 1.00109.63 C +ATOM 5477 C VAL B 345 78.789 37.208 7.933 1.00110.06 C +ATOM 5478 O VAL B 345 79.221 38.257 8.430 1.00110.24 O +ATOM 5479 CB VAL B 345 77.918 37.526 5.532 1.00109.45 C +ATOM 5480 CG1 VAL B 345 76.649 37.665 4.683 1.00109.16 C +ATOM 5481 CG2 VAL B 345 78.771 38.794 5.439 1.00109.24 C +ATOM 5482 N ALA B 346 79.343 36.023 8.164 1.00110.17 N +ATOM 5483 CA ALA B 346 80.555 35.865 8.961 1.00110.14 C +ATOM 5484 C ALA B 346 81.415 34.785 8.288 1.00110.47 C +ATOM 5485 O ALA B 346 81.740 33.772 8.921 1.00110.47 O +ATOM 5486 CB ALA B 346 80.190 35.460 10.390 1.00110.01 C +ATOM 5487 N PRO B 347 81.772 34.983 6.993 1.00110.82 N +ATOM 5488 CA PRO B 347 82.581 34.109 6.122 1.00110.66 C +ATOM 5489 C PRO B 347 84.106 33.958 6.347 1.00110.80 C +ATOM 5490 O PRO B 347 84.549 32.981 6.969 1.00110.81 O +ATOM 5491 CB PRO B 347 82.291 34.670 4.728 1.00110.55 C +ATOM 5492 CG PRO B 347 80.942 35.292 4.855 1.00110.42 C +ATOM 5493 CD PRO B 347 81.111 36.012 6.162 1.00110.58 C +ATOM 5494 N ALA B 348 84.888 34.907 5.818 1.00110.90 N +ATOM 5495 CA ALA B 348 86.354 34.868 5.906 1.00110.98 C +ATOM 5496 C ALA B 348 87.006 36.271 6.000 1.00110.95 C +ATOM 5497 O ALA B 348 87.560 36.762 4.981 1.00110.43 O +ATOM 5498 CB ALA B 348 86.912 34.103 4.692 1.00111.35 C +ATOM 5499 OXT ALA B 348 86.976 36.871 7.100 1.00111.04 O +TER 5500 ALA B 348 +HETATM 5501 C1 NAG C 1 60.022 3.630 36.341 1.00 50.53 C +HETATM 5502 C2 NAG C 1 59.172 4.836 36.710 1.00 51.51 C +HETATM 5503 C3 NAG C 1 60.075 6.036 37.005 1.00 52.14 C +HETATM 5504 C4 NAG C 1 61.062 5.669 38.115 1.00 52.59 C +HETATM 5505 C5 NAG C 1 61.831 4.387 37.736 1.00 51.83 C +HETATM 5506 C6 NAG C 1 62.629 3.885 38.903 1.00 52.46 C +HETATM 5507 C7 NAG C 1 57.083 5.681 35.853 1.00 53.07 C +HETATM 5508 C8 NAG C 1 56.137 4.966 36.811 1.00 52.41 C +HETATM 5509 N2 NAG C 1 58.269 5.130 35.619 1.00 52.21 N +HETATM 5510 O3 NAG C 1 59.286 7.146 37.406 1.00 50.44 O +HETATM 5511 O4 NAG C 1 61.986 6.756 38.324 1.00 56.37 O +HETATM 5512 O5 NAG C 1 60.918 3.312 37.408 1.00 51.35 O +HETATM 5513 O6 NAG C 1 61.760 3.429 39.935 1.00 54.58 O +HETATM 5514 O7 NAG C 1 56.725 6.716 35.309 1.00 53.69 O +HETATM 5515 C1 NAG C 2 61.664 7.711 39.289 1.00 60.90 C +HETATM 5516 C2 NAG C 2 62.925 8.088 40.054 1.00 61.90 C +HETATM 5517 C3 NAG C 2 62.651 9.208 41.043 1.00 64.29 C +HETATM 5518 C4 NAG C 2 61.993 10.418 40.372 1.00 66.99 C +HETATM 5519 C5 NAG C 2 60.768 9.930 39.556 1.00 65.90 C +HETATM 5520 C6 NAG C 2 60.094 11.021 38.744 1.00 65.79 C +HETATM 5521 C7 NAG C 2 64.424 6.213 40.301 1.00 59.92 C +HETATM 5522 C8 NAG C 2 65.166 6.678 39.045 1.00 59.27 C +HETATM 5523 N2 NAG C 2 63.415 6.937 40.775 1.00 60.77 N +HETATM 5524 O3 NAG C 2 63.872 9.607 41.641 1.00 64.24 O +HETATM 5525 O4 NAG C 2 61.560 11.336 41.415 1.00 72.20 O +HETATM 5526 O5 NAG C 2 61.146 8.882 38.625 1.00 63.64 O +HETATM 5527 O6 NAG C 2 58.932 11.516 39.410 1.00 68.07 O +HETATM 5528 O7 NAG C 2 64.776 5.178 40.850 1.00 60.17 O +HETATM 5529 C1 MAN C 3 62.066 12.640 41.472 1.00 75.81 C +HETATM 5530 C2 MAN C 3 63.047 12.780 42.671 1.00 77.11 C +HETATM 5531 C3 MAN C 3 63.477 14.243 42.879 1.00 77.99 C +HETATM 5532 C4 MAN C 3 62.270 15.209 42.892 1.00 78.65 C +HETATM 5533 C5 MAN C 3 61.275 14.940 41.748 1.00 78.74 C +HETATM 5534 C6 MAN C 3 61.746 15.411 40.385 1.00 80.04 C +HETATM 5535 O2 MAN C 3 64.208 11.980 42.474 1.00 77.43 O +HETATM 5536 O3 MAN C 3 64.413 14.638 41.879 1.00 77.12 O +HETATM 5537 O4 MAN C 3 61.589 15.131 44.140 1.00 80.17 O +HETATM 5538 O5 MAN C 3 60.931 13.525 41.656 1.00 77.18 O +HETATM 5539 O6 MAN C 3 61.115 16.633 40.029 1.00 81.14 O +HETATM 5540 C1 NAG D 1 49.589 -8.913 30.574 1.00 54.28 C +HETATM 5541 C2 NAG D 1 48.429 -9.294 31.508 1.00 56.95 C +HETATM 5542 C3 NAG D 1 48.089 -10.793 31.338 1.00 58.26 C +HETATM 5543 C4 NAG D 1 47.983 -11.195 29.860 1.00 58.94 C +HETATM 5544 C5 NAG D 1 49.187 -10.704 29.065 1.00 56.96 C +HETATM 5545 C6 NAG D 1 49.029 -10.949 27.577 1.00 56.41 C +HETATM 5546 C7 NAG D 1 48.120 -8.104 33.613 1.00 59.22 C +HETATM 5547 C8 NAG D 1 46.809 -8.524 34.267 1.00 60.42 C +HETATM 5548 N2 NAG D 1 48.784 -9.015 32.898 1.00 57.68 N +HETATM 5549 O3 NAG D 1 46.848 -11.065 31.975 1.00 59.69 O +HETATM 5550 O4 NAG D 1 47.876 -12.623 29.739 1.00 62.78 O +HETATM 5551 O5 NAG D 1 49.313 -9.290 29.230 1.00 55.36 O +HETATM 5552 O6 NAG D 1 48.238 -9.935 26.970 1.00 55.62 O +HETATM 5553 O7 NAG D 1 48.532 -6.954 33.778 1.00 61.49 O +HETATM 5554 C1 NAG D 2 46.626 -13.060 29.352 1.00 66.12 C +HETATM 5555 C2 NAG D 2 46.723 -14.421 28.686 1.00 68.29 C +HETATM 5556 C3 NAG D 2 45.318 -14.864 28.251 1.00 70.27 C +HETATM 5557 C4 NAG D 2 44.344 -14.818 29.451 1.00 70.88 C +HETATM 5558 C5 NAG D 2 44.441 -13.452 30.184 1.00 70.08 C +HETATM 5559 C6 NAG D 2 43.653 -13.395 31.483 1.00 71.03 C +HETATM 5560 C7 NAG D 2 48.903 -14.644 27.728 1.00 69.20 C +HETATM 5561 C8 NAG D 2 49.896 -14.063 26.735 1.00 69.30 C +HETATM 5562 N2 NAG D 2 47.617 -14.363 27.551 1.00 68.52 N +HETATM 5563 O3 NAG D 2 45.365 -16.187 27.717 1.00 71.25 O +HETATM 5564 O4 NAG D 2 43.008 -15.042 28.997 1.00 71.98 O +HETATM 5565 O5 NAG D 2 45.813 -13.164 30.518 1.00 67.64 O +HETATM 5566 O6 NAG D 2 43.647 -12.078 32.027 1.00 73.08 O +HETATM 5567 O7 NAG D 2 49.305 -15.337 28.658 1.00 69.52 O +HETATM 5568 C1 NAG E 1 36.614 0.649 -33.271 1.00 51.34 C +HETATM 5569 C2 NAG E 1 36.944 2.015 -33.861 1.00 52.22 C +HETATM 5570 C3 NAG E 1 35.671 2.811 -34.124 1.00 53.97 C +HETATM 5571 C4 NAG E 1 34.682 1.968 -34.937 1.00 55.84 C +HETATM 5572 C5 NAG E 1 34.421 0.658 -34.195 1.00 53.94 C +HETATM 5573 C6 NAG E 1 33.437 -0.264 -34.890 1.00 53.40 C +HETATM 5574 C7 NAG E 1 39.065 2.927 -33.123 1.00 52.41 C +HETATM 5575 C8 NAG E 1 39.736 2.148 -34.250 1.00 52.09 C +HETATM 5576 N2 NAG E 1 37.763 2.748 -32.917 1.00 51.73 N +HETATM 5577 O3 NAG E 1 36.004 3.993 -34.832 1.00 52.84 O +HETATM 5578 O4 NAG E 1 33.448 2.679 -35.122 1.00 60.25 O +HETATM 5579 O5 NAG E 1 35.659 -0.059 -34.068 1.00 53.26 O +HETATM 5580 O6 NAG E 1 34.049 -0.949 -35.971 1.00 53.40 O +HETATM 5581 O7 NAG E 1 39.742 3.690 -32.430 1.00 53.46 O +HETATM 5582 C1 NAG E 2 33.454 3.776 -35.966 1.00 64.42 C +HETATM 5583 C2 NAG E 2 32.060 3.927 -36.570 1.00 65.80 C +HETATM 5584 C3 NAG E 2 31.894 5.246 -37.298 1.00 68.88 C +HETATM 5585 C4 NAG E 2 32.270 6.398 -36.386 1.00 71.70 C +HETATM 5586 C5 NAG E 2 33.691 6.163 -35.858 1.00 70.14 C +HETATM 5587 C6 NAG E 2 34.163 7.214 -34.881 1.00 69.99 C +HETATM 5588 C7 NAG E 2 31.142 1.774 -36.985 1.00 64.84 C +HETATM 5589 C8 NAG E 2 31.372 0.430 -37.654 1.00 64.71 C +HETATM 5590 N2 NAG E 2 31.780 2.830 -37.467 1.00 64.69 N +HETATM 5591 O3 NAG E 2 30.543 5.396 -37.695 1.00 69.73 O +HETATM 5592 O4 NAG E 2 32.214 7.614 -37.149 1.00 77.95 O +HETATM 5593 O5 NAG E 2 33.761 4.910 -35.151 1.00 66.63 O +HETATM 5594 O6 NAG E 2 35.133 6.672 -33.993 1.00 70.93 O +HETATM 5595 O7 NAG E 2 30.398 1.850 -36.009 1.00 64.78 O +HETATM 5596 C1 BMA E 3 31.651 8.727 -36.549 1.00 83.36 C +HETATM 5597 C2 BMA E 3 32.352 9.952 -37.109 1.00 86.04 C +HETATM 5598 C3 BMA E 3 31.758 11.230 -36.534 1.00 88.33 C +HETATM 5599 C4 BMA E 3 30.232 11.242 -36.806 1.00 88.09 C +HETATM 5600 C5 BMA E 3 29.571 9.922 -36.323 1.00 87.26 C +HETATM 5601 C6 BMA E 3 28.097 9.803 -36.697 1.00 87.13 C +HETATM 5602 O2 BMA E 3 32.208 9.964 -38.525 1.00 85.86 O +HETATM 5603 O3 BMA E 3 32.420 12.336 -37.192 1.00 91.40 O +HETATM 5604 O4 BMA E 3 29.623 12.349 -36.149 1.00 88.57 O +HETATM 5605 O5 BMA E 3 30.252 8.772 -36.895 1.00 85.61 O +HETATM 5606 O6 BMA E 3 27.326 9.284 -35.618 1.00 86.73 O +HETATM 5607 C1 BMA E 4 32.139 13.652 -36.798 1.00 94.34 C +HETATM 5608 C2 BMA E 4 32.482 13.847 -35.322 1.00 95.35 C +HETATM 5609 C3 BMA E 4 32.026 15.273 -34.920 1.00 95.63 C +HETATM 5610 C4 BMA E 4 32.747 16.322 -35.781 1.00 95.78 C +HETATM 5611 C5 BMA E 4 32.595 16.001 -37.299 1.00 95.58 C +HETATM 5612 C6 BMA E 4 33.572 16.805 -38.137 1.00 95.09 C +HETATM 5613 O2 BMA E 4 33.890 13.696 -35.176 1.00 96.68 O +HETATM 5614 O3 BMA E 4 32.239 15.537 -33.533 1.00 94.84 O +HETATM 5615 O4 BMA E 4 32.202 17.608 -35.501 1.00 95.99 O +HETATM 5616 O5 BMA E 4 32.879 14.600 -37.581 1.00 95.42 O +HETATM 5617 O6 BMA E 4 34.917 16.472 -37.810 1.00 94.29 O +HETATM 5618 C1 NAG F 1 49.547 -10.003 -29.179 1.00 58.92 C +HETATM 5619 C2 NAG F 1 50.633 -10.197 -30.243 1.00 61.02 C +HETATM 5620 C3 NAG F 1 51.262 -11.592 -30.143 1.00 62.34 C +HETATM 5621 C4 NAG F 1 51.690 -11.898 -28.692 1.00 63.26 C +HETATM 5622 C5 NAG F 1 50.550 -11.612 -27.715 1.00 61.89 C +HETATM 5623 C6 NAG F 1 51.009 -11.726 -26.281 1.00 61.98 C +HETATM 5624 C7 NAG F 1 50.470 -8.917 -32.289 1.00 63.14 C +HETATM 5625 C8 NAG F 1 49.462 -7.793 -32.511 1.00 64.49 C +HETATM 5626 N2 NAG F 1 50.089 -9.978 -31.576 1.00 62.07 N +HETATM 5627 O3 NAG F 1 52.397 -11.642 -31.001 1.00 61.59 O +HETATM 5628 O4 NAG F 1 52.095 -13.277 -28.565 1.00 67.57 O +HETATM 5629 O5 NAG F 1 50.085 -10.262 -27.879 1.00 60.41 O +HETATM 5630 O6 NAG F 1 52.069 -10.817 -26.019 1.00 62.13 O +HETATM 5631 O7 NAG F 1 51.603 -8.812 -32.757 1.00 63.73 O +HETATM 5632 C1 NAG F 2 53.438 -13.485 -28.281 1.00 72.28 C +HETATM 5633 C2 NAG F 2 53.611 -14.795 -27.504 1.00 73.26 C +HETATM 5634 C3 NAG F 2 55.100 -15.193 -27.374 1.00 74.27 C +HETATM 5635 C4 NAG F 2 55.861 -15.083 -28.711 1.00 75.30 C +HETATM 5636 C5 NAG F 2 55.583 -13.711 -29.350 1.00 75.80 C +HETATM 5637 C6 NAG F 2 56.228 -13.545 -30.720 1.00 76.54 C +HETATM 5638 C7 NAG F 2 52.139 -15.466 -25.719 1.00 73.95 C +HETATM 5639 C8 NAG F 2 52.608 -16.562 -24.774 1.00 74.75 C +HETATM 5640 N2 NAG F 2 53.054 -14.619 -26.176 1.00 73.73 N +HETATM 5641 O3 NAG F 2 55.185 -16.525 -26.896 1.00 74.23 O +HETATM 5642 O4 NAG F 2 57.264 -15.258 -28.497 1.00 75.94 O +HETATM 5643 O5 NAG F 2 54.153 -13.534 -29.526 1.00 75.17 O +HETATM 5644 O6 NAG F 2 55.305 -13.828 -31.773 1.00 76.86 O +HETATM 5645 O7 NAG F 2 50.957 -15.399 -26.036 1.00 74.12 O +HETATM 5646 HG HG A 901 40.411 8.354 5.719 0.89 0.00 HG +HETATM 5647 HG HG A 903 20.184 7.350 3.092 0.75 0.00 HG +HETATM 5648 HG HG A 905 29.301 26.708 -10.434 0.58 0.00 HG +HETATM 5649 ZN ZN A 957 37.135 -1.787 32.041 0.66 0.00 ZN +HETATM 5650 ZN ZN A 959 34.185 19.475 -16.677 0.85 0.00 ZN +HETATM 5651 ZN ZN A 962 28.991 12.960 19.179 0.62 0.00 ZN +HETATM 5652 ZN ZN A2011 43.253 10.256 39.493 0.68 0.00 ZN +HETATM 5653 C1 RET A1296 34.693 6.618 17.693 1.00 0.00 C +HETATM 5654 C2 RET A1296 33.949 6.007 16.481 1.00 0.00 C +HETATM 5655 C3 RET A1296 33.295 6.984 15.554 1.00 0.00 C +HETATM 5656 C4 RET A1296 34.250 8.061 15.075 1.00 0.00 C +HETATM 5657 C5 RET A1296 35.073 8.713 16.182 1.00 0.00 C +HETATM 5658 C6 RET A1296 35.369 8.034 17.402 1.00 0.00 C +HETATM 5659 C7 RET A1296 36.337 8.608 18.406 1.00 0.00 C +HETATM 5660 C8 RET A1296 37.438 9.401 18.258 1.00 0.00 C +HETATM 5661 C9 RET A1296 38.431 9.872 19.234 1.00 0.00 C +HETATM 5662 C10 RET A1296 39.519 10.514 18.702 1.00 0.00 C +HETATM 5663 C11 RET A1296 40.671 10.996 19.451 1.00 0.00 C +HETATM 5664 C12 RET A1296 41.798 11.514 18.826 1.00 0.00 C +HETATM 5665 C13 RET A1296 42.539 11.088 17.607 1.00 0.00 C +HETATM 5666 C14 RET A1296 43.680 11.789 17.413 1.00 0.00 C +HETATM 5667 C15 RET A1296 44.708 11.526 16.458 1.00 0.00 C +HETATM 5668 C16 RET A1296 33.641 6.699 18.830 1.00 0.00 C +HETATM 5669 C17 RET A1296 35.742 5.525 18.087 1.00 0.00 C +HETATM 5670 C18 RET A1296 35.454 10.113 15.758 1.00 0.00 C +HETATM 5671 C19 RET A1296 38.163 9.605 20.709 1.00 0.00 C +HETATM 5672 C20 RET A1296 42.077 9.968 16.702 1.00 0.00 C +HETATM 5673 C1 PLM A1322 42.021 28.592 -13.584 1.00 0.00 C +HETATM 5674 O2 PLM A1322 42.869 29.454 -13.411 1.00 0.00 O +HETATM 5675 C2 PLM A1322 42.446 27.124 -13.590 1.00 0.00 C +HETATM 5676 C3 PLM A1322 42.725 26.569 -12.192 1.00 0.00 C +HETATM 5677 C4 PLM A1322 44.184 26.765 -11.815 1.00 0.00 C +HETATM 5678 C5 PLM A1322 44.326 27.121 -10.368 1.00 0.00 C +HETATM 5679 C6 PLM A1322 45.551 26.455 -9.806 1.00 0.00 C +HETATM 5680 C7 PLM A1322 45.206 25.676 -8.557 1.00 0.00 C +HETATM 5681 C8 PLM A1322 46.302 25.797 -7.493 1.00 0.00 C +HETATM 5682 C9 PLM A1322 45.777 25.469 -6.102 1.00 0.00 C +HETATM 5683 CA PLM A1322 46.247 26.471 -5.081 1.00 0.00 C +HETATM 5684 CB PLM A1322 45.072 27.062 -4.346 1.00 0.00 C +HETATM 5685 CC PLM A1322 45.337 27.124 -2.860 1.00 0.00 C +HETATM 5686 CD PLM A1322 44.180 27.782 -2.145 1.00 0.00 C +HETATM 5687 CE PLM A1322 44.688 28.832 -1.188 1.00 0.00 C +HETATM 5688 CF PLM A1322 44.468 28.432 0.262 1.00 0.00 C +HETATM 5689 CG PLM A1322 44.989 29.495 1.230 1.00 0.00 C +HETATM 5690 C1 PLM A1323 44.074 33.720 -11.543 1.00 0.00 C +HETATM 5691 O2 PLM A1323 43.561 33.494 -12.631 1.00 0.00 O +HETATM 5692 C2 PLM A1323 45.440 33.085 -11.232 1.00 0.00 C +HETATM 5693 C3 PLM A1323 45.411 31.562 -11.089 1.00 0.00 C +HETATM 5694 C4 PLM A1323 45.692 31.116 -9.653 1.00 0.00 C +HETATM 5695 C5 PLM A1323 46.548 29.864 -9.606 1.00 0.00 C +HETATM 5696 C6 PLM A1323 48.039 30.184 -9.576 1.00 0.00 C +HETATM 5697 C7 PLM A1323 48.689 29.830 -10.909 1.00 0.00 C +HETATM 5698 C8 PLM A1323 50.198 30.112 -10.937 1.00 0.00 C +HETATM 5699 C9 PLM A1323 50.683 30.461 -12.356 1.00 0.00 C +HETATM 5700 CA PLM A1323 51.759 29.506 -12.869 1.00 0.00 C +HETATM 5701 CB PLM A1323 53.150 29.859 -12.332 1.00 0.00 C +HETATM 5702 CC PLM A1323 54.243 28.973 -12.933 1.00 0.00 C +HETATM 5703 CD PLM A1323 55.278 28.570 -11.888 1.00 0.00 C +HETATM 5704 CE PLM A1323 56.596 29.286 -12.117 1.00 0.00 C +HETATM 5705 CF PLM A1323 57.494 29.254 -10.889 1.00 0.00 C +HETATM 5706 CG PLM A1323 58.792 30.027 -11.120 1.00 0.00 C +HETATM 5707 C1 PLM A1410 51.106 12.159 3.159 1.00 0.00 C +HETATM 5708 C2 PLM A1410 49.803 12.935 3.419 1.00 0.00 C +HETATM 5709 C3 PLM A1410 48.822 12.350 2.365 1.00 0.00 C +HETATM 5710 C4 PLM A1410 47.319 12.515 2.728 1.00 0.00 C +HETATM 5711 C5 PLM A1410 46.133 11.700 2.180 1.00 0.00 C +HETATM 5712 C6 PLM A1410 44.739 12.186 2.581 1.00 0.00 C +HETATM 5713 C7 PLM A1410 43.676 11.281 1.974 1.00 0.00 C +HETATM 5714 C8 PLM A1410 42.944 11.984 0.861 1.00 0.00 C +HETATM 5715 C9 PLM A1410 41.787 11.303 0.015 1.00 0.00 C +HETATM 5716 CA PLM A1410 40.399 11.317 -0.699 1.00 0.00 C +HETATM 5717 CB PLM A1410 40.085 10.164 -1.239 1.00 0.00 C +HETATM 5718 CC PLM A1410 39.096 9.444 -1.082 1.00 0.00 C +HETATM 5719 CD PLM A1410 38.435 8.341 -0.709 1.00 0.00 C +HETATM 5720 CE PLM A1410 36.993 8.099 -0.828 1.00 0.00 C +HETATM 5721 CF PLM A1410 37.109 6.587 -0.903 1.00 0.00 C +HETATM 5722 CG PLM A1410 36.091 5.654 -1.156 1.00 0.00 C +HETATM 5723 C1 HTG A1507 44.758 -7.784 18.868 1.00 0.00 C +HETATM 5724 S1 HTG A1507 43.410 -7.320 17.636 1.00 0.00 S +HETATM 5725 C2 HTG A1507 45.164 -9.331 18.667 1.00 0.00 C +HETATM 5726 O2 HTG A1507 44.010 -10.186 18.834 1.00 0.00 O +HETATM 5727 C3 HTG A1507 46.317 -9.718 19.713 1.00 0.00 C +HETATM 5728 O3 HTG A1507 46.682 -11.106 19.548 1.00 0.00 O +HETATM 5729 C4 HTG A1507 47.580 -8.755 19.478 1.00 0.00 C +HETATM 5730 O4 HTG A1507 48.639 -9.065 20.406 1.00 0.00 O +HETATM 5731 C5 HTG A1507 47.172 -7.225 19.651 1.00 0.00 C +HETATM 5732 O5 HTG A1507 46.052 -6.932 18.681 1.00 0.00 O +HETATM 5733 C6 HTG A1507 48.407 -6.312 19.370 1.00 0.00 C +HETATM 5734 O6 HTG A1507 49.201 -6.064 20.520 1.00 0.00 O +HETATM 5735 C1' HTG A1507 42.737 -5.591 17.651 1.00 0.00 C +HETATM 5736 C2' HTG A1507 42.052 -5.372 16.304 1.00 0.00 C +HETATM 5737 C3' HTG A1507 41.459 -3.990 16.172 1.00 0.00 C +HETATM 5738 C4' HTG A1507 40.404 -3.950 15.084 1.00 0.00 C +HETATM 5739 C5' HTG A1507 40.837 -3.112 13.903 1.00 0.00 C +HETATM 5740 C6' HTG A1507 39.643 -2.716 13.054 1.00 0.00 C +HETATM 5741 C7' HTG A1507 40.015 -2.629 11.598 1.00 0.00 C +HETATM 5742 HG HG B 902 59.441 8.881 -5.577 0.83 79.32 HG +HETATM 5743 HG HG B 904 79.002 11.326 -5.792 0.66 96.23 HG +HETATM 5744 HG HG B 906 68.056 30.907 8.081 0.36101.31 HG +HETATM 5745 ZN ZN B 956 51.169 9.896 -38.585 0.68 49.41 ZN +HETATM 5746 ZN ZN B 958 60.366 -0.945 -32.311 0.51 29.80 ZN +HETATM 5747 ZN ZN B 963 67.581 15.535 -20.513 0.68 65.73 ZN +HETATM 5748 C1 RET B1296 63.173 7.960 -18.485 1.00 45.71 C +HETATM 5749 C2 RET B1296 64.191 7.475 -17.420 1.00 46.36 C +HETATM 5750 C3 RET B1296 64.851 8.550 -16.590 1.00 46.90 C +HETATM 5751 C4 RET B1296 63.856 9.503 -15.934 1.00 45.73 C +HETATM 5752 C5 RET B1296 62.791 10.041 -16.907 1.00 45.29 C +HETATM 5753 C6 RET B1296 62.383 9.303 -18.071 1.00 44.89 C +HETATM 5754 C7 RET B1296 61.191 9.750 -18.894 1.00 43.63 C +HETATM 5755 C8 RET B1296 60.032 10.383 -18.561 1.00 41.09 C +HETATM 5756 C9 RET B1296 58.877 10.742 -19.380 1.00 40.38 C +HETATM 5757 C10 RET B1296 57.766 11.123 -18.680 1.00 39.98 C +HETATM 5758 C11 RET B1296 56.461 11.458 -19.254 1.00 39.60 C +HETATM 5759 C12 RET B1296 55.339 11.719 -18.478 1.00 37.82 C +HETATM 5760 C13 RET B1296 54.868 11.131 -17.193 1.00 37.90 C +HETATM 5761 C14 RET B1296 53.702 11.705 -16.742 1.00 38.11 C +HETATM 5762 C15 RET B1296 52.861 11.286 -15.639 1.00 39.80 C +HETATM 5763 C16 RET B1296 64.022 8.126 -19.780 1.00 45.30 C +HETATM 5764 C17 RET B1296 62.187 6.753 -18.710 1.00 45.60 C +HETATM 5765 C18 RET B1296 62.311 11.407 -16.440 1.00 46.16 C +HETATM 5766 C19 RET B1296 59.005 10.648 -20.891 1.00 38.83 C +HETATM 5767 C20 RET B1296 55.591 9.993 -16.492 1.00 38.08 C +HETATM 5768 C1 PLM B1322 56.215 30.097 14.240 1.00 82.77 C +HETATM 5769 O2 PLM B1322 55.561 31.134 14.263 1.00 84.00 O +HETATM 5770 C2 PLM B1322 55.462 28.753 14.314 1.00 82.18 C +HETATM 5771 C3 PLM B1322 54.124 28.726 13.538 1.00 81.87 C +HETATM 5772 C4 PLM B1322 54.289 28.254 12.086 1.00 81.59 C +HETATM 5773 C5 PLM B1322 52.966 27.796 11.465 1.00 81.37 C +HETATM 5774 C6 PLM B1322 52.637 26.332 11.795 1.00 80.79 C +HETATM 5775 C7 PLM B1322 53.311 25.349 10.835 1.00 79.92 C +HETATM 5776 C8 PLM B1322 52.306 24.633 9.912 1.00 79.61 C +HETATM 5777 C9 PLM B1322 52.965 24.004 8.663 1.00 79.44 C +HETATM 5778 CA PLM B1322 53.158 24.996 7.504 1.00 79.81 C +HETATM 5779 CB PLM B1322 52.016 24.950 6.484 1.00 79.81 C +HETATM 5780 CC PLM B1322 51.485 26.350 6.138 1.00 80.11 C +HETATM 5781 CD PLM B1322 50.944 26.415 4.710 1.00 80.35 C +HETATM 5782 CE PLM B1322 51.597 27.537 3.913 1.00 80.32 C +HETATM 5783 CF PLM B1322 52.751 27.043 3.032 1.00 80.07 C +HETATM 5784 CG PLM B1322 53.350 28.164 2.171 1.00 78.87 C +HETATM 5785 C1 PLM B1323 53.785 34.215 12.432 1.00 93.06 C +HETATM 5786 O2 PLM B1323 54.498 34.217 13.444 1.00 92.58 O +HETATM 5787 C2 PLM B1323 52.447 33.443 12.467 1.00 93.23 C +HETATM 5788 C3 PLM B1323 52.540 31.943 12.134 1.00 93.47 C +HETATM 5789 C4 PLM B1323 51.168 31.293 11.863 1.00 92.92 C +HETATM 5790 C5 PLM B1323 50.400 30.974 13.148 1.00 92.77 C +HETATM 5791 C6 PLM B1323 50.186 29.474 13.327 1.00 92.10 C +HETATM 5792 C7 PLM B1323 50.436 29.053 14.775 1.00 91.04 C +HETATM 5793 C8 PLM B1323 49.456 27.970 15.262 1.00 89.87 C +HETATM 5794 C9 PLM B1323 48.350 28.555 16.144 1.00 89.14 C +HETATM 5795 CA PLM B1323 47.141 27.636 16.279 1.00 88.64 C +HETATM 5796 CB PLM B1323 45.950 28.132 15.455 1.00 88.47 C +HETATM 5797 CC PLM B1323 44.787 28.644 16.326 1.00 88.55 C +HETATM 5798 CD PLM B1323 43.530 27.752 16.250 1.00 88.35 C +HETATM 5799 CE PLM B1323 42.532 28.272 15.223 1.00 87.44 C +HETATM 5800 CF PLM B1323 41.456 27.247 14.856 1.00 86.88 C +HETATM 5801 CG PLM B1323 40.553 27.755 13.717 1.00 86.54 C +HETATM 5802 C1 HTO B1401 64.478 16.043 13.628 1.00 53.49 C +HETATM 5803 O1 HTO B1401 65.858 16.283 14.086 1.00 53.49 O +HETATM 5804 C2 HTO B1401 64.393 16.317 12.130 1.00 54.05 C +HETATM 5805 O2 HTO B1401 65.335 15.402 11.530 1.00 53.08 O +HETATM 5806 C3 HTO B1401 62.919 16.074 11.475 1.00 53.63 C +HETATM 5807 O3 HTO B1401 63.003 16.371 10.091 1.00 56.52 O +HETATM 5808 C4 HTO B1401 61.768 16.975 11.994 1.00 53.71 C +HETATM 5809 C5 HTO B1401 60.345 16.705 11.322 1.00 52.29 C +HETATM 5810 C6 HTO B1401 60.164 17.181 9.856 1.00 51.73 C +HETATM 5811 C7 HTO B1401 59.086 18.238 9.714 1.00 50.21 C +HETATM 5812 C1 PLM B1407 60.865 10.582 0.427 1.00 56.06 C +HETATM 5813 C2 PLM B1407 59.467 10.709 1.063 1.00 57.90 C +HETATM 5814 C3 PLM B1407 58.636 11.396 -0.051 1.00 59.60 C +HETATM 5815 C4 PLM B1407 57.152 11.631 0.299 1.00 59.04 C +HETATM 5816 C5 PLM B1407 55.979 11.636 -0.679 1.00 61.32 C +HETATM 5817 C6 PLM B1407 54.806 12.560 -0.316 1.00 63.57 C +HETATM 5818 C7 PLM B1407 53.667 12.486 -1.368 1.00 65.70 C +HETATM 5819 C8 PLM B1407 52.303 12.226 -0.714 1.00 67.13 C +HETATM 5820 C9 PLM B1407 50.914 12.085 -1.507 1.00 67.86 C +HETATM 5821 CA PLM B1407 49.853 11.238 -2.314 1.00 69.26 C +HETATM 5822 CB PLM B1407 49.148 10.391 -1.569 1.00 70.54 C +HETATM 5823 CC PLM B1407 47.994 9.924 -1.717 1.00 70.78 C +HETATM 5824 CD PLM B1407 46.785 9.755 -2.321 1.00 70.73 C +HETATM 5825 CE PLM B1407 45.666 8.884 -1.881 1.00 69.61 C +HETATM 5826 CF PLM B1407 44.691 9.274 -2.997 1.00 68.10 C +HETATM 5827 CG PLM B1407 43.293 9.115 -3.030 1.00 66.01 C +HETATM 5828 C1 HTG B1506 55.265 -8.580 -18.671 1.00 73.80 C +HETATM 5829 S1 HTG B1506 56.451 -8.074 -17.310 1.00 74.19 S +HETATM 5830 C2 HTG B1506 54.819 -10.095 -18.440 1.00 74.17 C +HETATM 5831 O2 HTG B1506 55.978 -10.948 -18.407 1.00 73.91 O +HETATM 5832 C3 HTG B1506 53.805 -10.547 -19.601 1.00 74.23 C +HETATM 5833 O3 HTG B1506 53.407 -11.920 -19.412 1.00 73.91 O +HETATM 5834 C4 HTG B1506 52.523 -9.572 -19.598 1.00 74.17 C +HETATM 5835 O4 HTG B1506 51.584 -9.958 -20.635 1.00 75.74 O +HETATM 5836 C5 HTG B1506 52.985 -8.041 -19.812 1.00 73.47 C +HETATM 5837 O5 HTG B1506 53.974 -7.692 -18.711 1.00 74.04 O +HETATM 5838 C6 HTG B1506 51.735 -7.088 -19.789 1.00 72.32 C +HETATM 5839 O6 HTG B1506 51.047 -7.051 -18.537 1.00 71.24 O +HETATM 5840 C1' HTG B1506 57.100 -6.338 -17.406 1.00 71.71 C +HETATM 5841 C2' HTG B1506 58.218 -6.158 -16.381 1.00 70.09 C +HETATM 5842 C3' HTG B1506 58.787 -4.741 -16.420 1.00 69.05 C +HETATM 5843 C4' HTG B1506 58.491 -3.964 -15.145 1.00 68.45 C +HETATM 5844 C5' HTG B1506 59.725 -3.290 -14.597 1.00 68.46 C +HETATM 5845 C6' HTG B1506 59.454 -2.680 -13.235 1.00 68.54 C +HETATM 5846 C7' HTG B1506 60.738 -2.317 -12.539 1.00 68.61 C +HETATM 5847 C1 HTG B1508 32.522 7.786 -9.349 1.00 73.76 C +HETATM 5848 S1 HTG B1508 32.534 6.999 -7.690 1.00 72.06 S +HETATM 5849 C2 HTG B1508 31.413 7.036 -10.199 1.00 75.22 C +HETATM 5850 O2 HTG B1508 31.718 5.626 -10.290 1.00 76.16 O +HETATM 5851 C3 HTG B1508 31.314 7.690 -11.651 1.00 75.91 C +HETATM 5852 O3 HTG B1508 30.300 7.019 -12.418 1.00 76.94 O +HETATM 5853 C4 HTG B1508 30.976 9.238 -11.517 1.00 75.72 C +HETATM 5854 O4 HTG B1508 30.884 9.853 -12.821 1.00 75.71 O +HETATM 5855 C5 HTG B1508 32.104 9.966 -10.642 1.00 75.62 C +HETATM 5856 O5 HTG B1508 32.147 9.265 -9.292 1.00 74.85 O +HETATM 5857 C6 HTG B1508 31.736 11.486 -10.493 1.00 76.51 C +HETATM 5858 O6 HTG B1508 30.391 11.704 -10.047 1.00 77.19 O +HETATM 5859 C1' HTG B1508 33.640 7.605 -6.356 1.00 70.79 C +HETATM 5860 C2' HTG B1508 35.081 7.469 -6.769 1.00 69.82 C +HETATM 5861 C3' HTG B1508 35.973 7.953 -5.637 1.00 67.87 C +HETATM 5862 C4' HTG B1508 36.842 9.123 -6.031 1.00 66.24 C +HETATM 5863 C5' HTG B1508 36.331 10.394 -5.427 1.00 64.99 C +HETATM 5864 C6' HTG B1508 36.816 10.545 -4.021 1.00 64.42 C +HETATM 5865 C7' HTG B1508 37.927 11.527 -3.969 1.00 64.30 C +HETATM 5866 C1 HTG B1509 64.583 20.708 15.180 1.00 82.21 C +HETATM 5867 S1 HTG B1509 63.512 21.350 13.802 1.00 81.73 S +HETATM 5868 C2 HTG B1509 65.980 21.522 15.189 1.00 81.65 C +HETATM 5869 O2 HTG B1509 66.665 21.365 13.932 1.00 80.98 O +HETATM 5870 C3 HTG B1509 66.908 21.016 16.386 1.00 81.75 C +HETATM 5871 O3 HTG B1509 68.153 21.739 16.388 1.00 81.06 O +HETATM 5872 C4 HTG B1509 66.124 21.217 17.771 1.00 82.58 C +HETATM 5873 O4 HTG B1509 66.944 20.779 18.881 1.00 83.87 O +HETATM 5874 C5 HTG B1509 64.705 20.404 17.754 1.00 83.10 C +HETATM 5875 O5 HTG B1509 63.897 20.900 16.554 1.00 83.45 O +HETATM 5876 C6 HTG B1509 63.909 20.630 19.130 1.00 82.66 C +HETATM 5877 O6 HTG B1509 62.720 21.461 19.044 1.00 80.24 O +HETATM 5878 C1' HTG B1509 61.870 20.626 13.532 1.00 80.52 C +HETATM 5879 C2' HTG B1509 61.281 21.428 12.381 1.00 80.36 C +HETATM 5880 C3' HTG B1509 59.895 20.949 12.011 1.00 79.76 C +HETATM 5881 C4' HTG B1509 59.311 21.758 10.876 1.00 79.51 C +HETATM 5882 C5' HTG B1509 58.022 22.388 11.305 1.00 79.83 C +HETATM 5883 C6' HTG B1509 57.964 23.847 10.923 1.00 79.86 C +HETATM 5884 C7' HTG B1509 57.068 24.621 11.859 1.00 79.93 C +HETATM 5885 O HOH A 964 41.824 4.738 11.658 1.00 0.00 O +HETATM 5886 O HOH A2000 49.110 7.658 28.237 1.00 0.00 O +HETATM 5887 O HOH A2002 49.342 -2.814 33.463 1.00 0.00 O +HETATM 5888 O HOH A2004 40.768 15.488 29.883 1.00 0.00 O +HETATM 5889 O HOH A2007 28.580 29.852 -16.188 1.00 0.00 O +HETATM 5890 O HOH A2014 44.912 9.872 19.727 0.94 0.00 O +HETATM 5891 O HOH A2015 35.893 12.241 8.920 1.00 0.00 O +HETATM 5892 O HOH A2017 37.208 16.105 5.882 1.00 0.00 O +HETATM 5893 O HOH A2020 33.214 11.359 5.382 1.00 0.00 O +HETATM 5894 O HOH A2021 44.328 16.987 16.914 1.00 0.00 O +HETATM 5895 O HOH A2024 29.916 23.848 0.458 1.00 0.00 O +HETATM 5896 O HOH A2027 46.968 22.773 19.155 1.00 0.00 O +HETATM 5897 O HOH A2028 52.690 19.627 23.119 1.00 0.00 O +HETATM 5898 O HOH A2030 35.579 15.961 9.298 1.00 0.00 O +HETATM 5899 O HOH A2032 48.193 3.343 23.561 1.00 0.00 O +HETATM 5900 O HOH A2033 44.911 12.701 31.169 1.00 0.00 O +HETATM 5901 O HOH A2035 50.973 8.201 19.008 1.00 0.00 O +HETATM 5902 O HOH A2039 39.965 -11.559 23.863 1.00 0.00 O +HETATM 5903 O HOH A2041 52.533 -2.907 19.218 1.00 0.00 O +HETATM 5904 O HOH A2042 58.414 10.737 35.179 1.00 0.00 O +HETATM 5905 O HOH A2045 44.990 15.499 29.228 1.00 0.00 O +HETATM 5906 O HOH A2047 50.078 -0.478 35.016 1.00 0.00 O +HETATM 5907 O HOH A2048 49.387 1.275 21.525 1.00 0.00 O +HETATM 5908 O HOH A2049 52.069 13.027 34.780 1.00 0.00 O +HETATM 5909 O HOH A2051 55.564 -2.577 25.226 1.00 0.00 O +HETATM 5910 O HOH A2052 44.768 -0.431 29.501 1.00 0.00 O +HETATM 5911 O HOH A2053 27.336 19.021 -9.912 1.00 0.00 O +HETATM 5912 O HOH A2055 61.141 -1.783 31.346 0.98 0.00 O +HETATM 5913 O HOH A2057 38.335 2.452 30.394 1.00 0.00 O +HETATM 5914 O HOH A2058 42.132 18.219 32.056 1.00 0.00 O +HETATM 5915 O HOH A2059 45.613 15.970 34.061 0.99 0.00 O +HETATM 5916 O HOH A2061 30.369 29.006 -11.025 1.00 0.00 O +HETATM 5917 O HOH A2062 42.839 12.670 35.850 1.00 0.00 O +HETATM 5918 O HOH A2063 37.788 14.979 32.972 1.00 0.00 O +HETATM 5919 O HOH A2064 48.953 4.821 25.720 1.00 0.00 O +HETATM 5920 O HOH A2068 34.641 4.694 44.098 1.00 0.00 O +HETATM 5921 O HOH A2070 24.499 16.592 -12.939 1.00 0.00 O +HETATM 5922 O HOH B2005 63.175 6.145 -37.125 1.00 44.32 O +HETATM 5923 O HOH B2008 65.482 13.261 -6.143 1.00 36.72 O +HETATM 5924 O HOH B2009 62.245 17.200 -9.666 0.96 50.69 O +HETATM 5925 O HOH B2012 37.413 -0.051 -36.633 1.00 54.50 O +HETATM 5926 O HOH B2016 60.389 17.198 -5.853 1.00 42.62 O +HETATM 5927 O HOH B2018 52.246 8.805 -18.688 1.00 57.94 O +HETATM 5928 O HOH B2019 57.417 4.579 -11.690 1.00 55.97 O +HETATM 5929 O HOH B2022 52.584 16.809 -16.042 1.00 42.42 O +HETATM 5930 O HOH B2023 47.327 6.545 -26.718 0.99 37.96 O +HETATM 5931 O HOH B2025 67.255 26.384 -1.416 1.00 46.01 O +HETATM 5932 O HOH B2026 48.603 21.953 -18.210 1.00 34.38 O +HETATM 5933 O HOH B2029 42.986 17.310 -21.550 0.95 60.96 O +HETATM 5934 O HOH B2031 49.956 2.198 -22.322 1.00 50.32 O +HETATM 5935 O HOH B2034 50.483 12.089 -30.280 1.00 50.19 O +HETATM 5936 O HOH B2036 61.977 14.597 -9.561 1.00 63.23 O +HETATM 5937 O HOH B2037 47.834 6.801 -17.635 1.00 42.91 O +HETATM 5938 O HOH B2038 60.768 -10.665 -24.153 1.00 21.68 O +HETATM 5939 O HOH B2040 38.374 -1.735 -35.214 1.00 66.68 O +HETATM 5940 O HOH B2043 47.993 -5.229 -18.107 1.00 39.56 O +HETATM 5941 O HOH B2044 59.290 7.983 -29.702 1.00 44.95 O +HETATM 5942 O HOH B2046 48.879 4.064 -24.826 1.00 38.28 O +HETATM 5943 O HOH B2050 49.158 0.599 -20.238 1.00 42.84 O +HETATM 5944 O HOH B2054 46.199 -3.971 -17.556 1.00 28.07 O +HETATM 5945 O HOH B2056 43.940 -7.703 -26.199 1.00 47.50 O +HETATM 5946 O HOH B2060 49.944 14.940 -28.371 1.00 46.45 O +HETATM 5947 O HOH B2065 46.801 -1.635 -34.122 1.00 44.42 O +HETATM 5948 O HOH B2066 53.036 -0.881 -28.890 1.00 45.40 O +HETATM 5949 O HOH B2067 47.971 -3.519 -26.335 1.00 48.17 O +HETATM 5950 O HOH B2069 58.943 3.863 -30.455 1.00 37.47 O +CONECT 1 2 3 4 +CONECT 2 1 +CONECT 3 1 +CONECT 4 1 +CONECT 19 5540 +CONECT 120 5501 +CONECT 886 1476 +CONECT 973 5651 +CONECT 1004 5651 +CONECT 1299 5651 +CONECT 1476 886 +CONECT 1544 5652 +CONECT 1561 5652 +CONECT 1593 5649 +CONECT 1594 5649 +CONECT 1678 5651 +CONECT 1774 5647 +CONECT 2100 5646 +CONECT 2230 5649 +CONECT 2360 5667 +CONECT 2366 5646 +CONECT 2480 5650 +CONECT 2484 5648 +CONECT 2525 5648 +CONECT 2568 5673 +CONECT 2574 5690 +CONECT 2615 5650 +CONECT 2751 2752 2753 2754 +CONECT 2752 2751 +CONECT 2753 2751 +CONECT 2754 2751 +CONECT 2769 5618 +CONECT 2870 5568 +CONECT 3280 5744 +CONECT 3636 4226 +CONECT 3754 5747 +CONECT 4226 3636 +CONECT 4294 5745 +CONECT 4311 5745 +CONECT 4343 5746 +CONECT 4344 5746 +CONECT 4428 5747 +CONECT 4850 5742 +CONECT 4980 5746 +CONECT 5110 5762 +CONECT 5275 5744 +CONECT 5318 5768 +CONECT 5324 5785 +CONECT 5411 5744 +CONECT 5418 5744 +CONECT 5501 120 5502 5512 +CONECT 5502 5501 5503 5509 +CONECT 5503 5502 5504 5510 +CONECT 5504 5503 5505 5511 +CONECT 5505 5504 5506 5512 +CONECT 5506 5505 5513 +CONECT 5507 5508 5509 5514 +CONECT 5508 5507 +CONECT 5509 5502 5507 +CONECT 5510 5503 +CONECT 5511 5504 5515 +CONECT 5512 5501 5505 +CONECT 5513 5506 +CONECT 5514 5507 +CONECT 5515 5511 5516 5526 +CONECT 5516 5515 5517 5523 +CONECT 5517 5516 5518 5524 +CONECT 5518 5517 5519 5525 +CONECT 5519 5518 5520 5526 +CONECT 5520 5519 5527 +CONECT 5521 5522 5523 5528 +CONECT 5522 5521 +CONECT 5523 5516 5521 +CONECT 5524 5517 +CONECT 5525 5518 5529 +CONECT 5526 5515 5519 +CONECT 5527 5520 +CONECT 5528 5521 +CONECT 5529 5525 5530 5538 +CONECT 5530 5529 5531 5535 +CONECT 5531 5530 5532 5536 +CONECT 5532 5531 5533 5537 +CONECT 5533 5532 5534 5538 +CONECT 5534 5533 5539 +CONECT 5535 5530 +CONECT 5536 5531 +CONECT 5537 5532 +CONECT 5538 5529 5533 +CONECT 5539 5534 +CONECT 5540 19 5541 5551 +CONECT 5541 5540 5542 5548 +CONECT 5542 5541 5543 5549 +CONECT 5543 5542 5544 5550 +CONECT 5544 5543 5545 5551 +CONECT 5545 5544 5552 +CONECT 5546 5547 5548 5553 +CONECT 5547 5546 +CONECT 5548 5541 5546 +CONECT 5549 5542 +CONECT 5550 5543 5554 +CONECT 5551 5540 5544 +CONECT 5552 5545 +CONECT 5553 5546 +CONECT 5554 5550 5555 5565 +CONECT 5555 5554 5556 5562 +CONECT 5556 5555 5557 5563 +CONECT 5557 5556 5558 5564 +CONECT 5558 5557 5559 5565 +CONECT 5559 5558 5566 +CONECT 5560 5561 5562 5567 +CONECT 5561 5560 +CONECT 5562 5555 5560 +CONECT 5563 5556 +CONECT 5564 5557 +CONECT 5565 5554 5558 +CONECT 5566 5559 +CONECT 5567 5560 +CONECT 5568 2870 5569 5579 +CONECT 5569 5568 5570 5576 +CONECT 5570 5569 5571 5577 +CONECT 5571 5570 5572 5578 +CONECT 5572 5571 5573 5579 +CONECT 5573 5572 5580 +CONECT 5574 5575 5576 5581 +CONECT 5575 5574 +CONECT 5576 5569 5574 +CONECT 5577 5570 +CONECT 5578 5571 5582 +CONECT 5579 5568 5572 +CONECT 5580 5573 +CONECT 5581 5574 +CONECT 5582 5578 5583 5593 +CONECT 5583 5582 5584 5590 +CONECT 5584 5583 5585 5591 +CONECT 5585 5584 5586 5592 +CONECT 5586 5585 5587 5593 +CONECT 5587 5586 5594 +CONECT 5588 5589 5590 5595 +CONECT 5589 5588 +CONECT 5590 5583 5588 +CONECT 5591 5584 +CONECT 5592 5585 5596 +CONECT 5593 5582 5586 +CONECT 5594 5587 +CONECT 5595 5588 +CONECT 5596 5592 5597 5605 +CONECT 5597 5596 5598 5602 +CONECT 5598 5597 5599 5603 +CONECT 5599 5598 5600 5604 +CONECT 5600 5599 5601 5605 +CONECT 5601 5600 5606 +CONECT 5602 5597 +CONECT 5603 5598 5607 +CONECT 5604 5599 +CONECT 5605 5596 5600 +CONECT 5606 5601 +CONECT 5607 5603 5608 5616 +CONECT 5608 5607 5609 5613 +CONECT 5609 5608 5610 5614 +CONECT 5610 5609 5611 5615 +CONECT 5611 5610 5612 5616 +CONECT 5612 5611 5617 +CONECT 5613 5608 +CONECT 5614 5609 +CONECT 5615 5610 +CONECT 5616 5607 5611 +CONECT 5617 5612 +CONECT 5618 2769 5619 5629 +CONECT 5619 5618 5620 5626 +CONECT 5620 5619 5621 5627 +CONECT 5621 5620 5622 5628 +CONECT 5622 5621 5623 5629 +CONECT 5623 5622 5630 +CONECT 5624 5625 5626 5631 +CONECT 5625 5624 +CONECT 5626 5619 5624 +CONECT 5627 5620 +CONECT 5628 5621 5632 +CONECT 5629 5618 5622 +CONECT 5630 5623 +CONECT 5631 5624 +CONECT 5632 5628 5633 5643 +CONECT 5633 5632 5634 5640 +CONECT 5634 5633 5635 5641 +CONECT 5635 5634 5636 5642 +CONECT 5636 5635 5637 5643 +CONECT 5637 5636 5644 +CONECT 5638 5639 5640 5645 +CONECT 5639 5638 +CONECT 5640 5633 5638 +CONECT 5641 5634 +CONECT 5642 5635 +CONECT 5643 5632 5636 +CONECT 5644 5637 +CONECT 5645 5638 +CONECT 5646 2100 2366 +CONECT 5647 1774 +CONECT 5648 2484 2525 5916 +CONECT 5649 1593 1594 2230 +CONECT 5650 2480 2615 +CONECT 5651 973 1004 1299 1678 +CONECT 5652 1544 1561 +CONECT 5653 5654 5658 5668 5669 +CONECT 5654 5653 5655 +CONECT 5655 5654 5656 +CONECT 5656 5655 5657 +CONECT 5657 5656 5658 5670 +CONECT 5658 5653 5657 5659 +CONECT 5659 5658 5660 +CONECT 5660 5659 5661 +CONECT 5661 5660 5662 5671 +CONECT 5662 5661 5663 +CONECT 5663 5662 5664 +CONECT 5664 5663 5665 +CONECT 5665 5664 5666 5672 +CONECT 5666 5665 5667 +CONECT 5667 2360 5666 +CONECT 5668 5653 +CONECT 5669 5653 +CONECT 5670 5657 +CONECT 5671 5661 +CONECT 5672 5665 +CONECT 5673 2568 5674 5675 +CONECT 5674 5673 +CONECT 5675 5673 5676 +CONECT 5676 5675 5677 +CONECT 5677 5676 5678 +CONECT 5678 5677 5679 +CONECT 5679 5678 5680 +CONECT 5680 5679 5681 +CONECT 5681 5680 5682 +CONECT 5682 5681 5683 +CONECT 5683 5682 5684 +CONECT 5684 5683 5685 +CONECT 5685 5684 5686 +CONECT 5686 5685 5687 +CONECT 5687 5686 5688 +CONECT 5688 5687 5689 +CONECT 5689 5688 +CONECT 5690 2574 5691 5692 +CONECT 5691 5690 +CONECT 5692 5690 5693 +CONECT 5693 5692 5694 +CONECT 5694 5693 5695 +CONECT 5695 5694 5696 +CONECT 5696 5695 5697 +CONECT 5697 5696 5698 +CONECT 5698 5697 5699 +CONECT 5699 5698 5700 +CONECT 5700 5699 5701 +CONECT 5701 5700 5702 +CONECT 5702 5701 5703 +CONECT 5703 5702 5704 +CONECT 5704 5703 5705 +CONECT 5705 5704 5706 +CONECT 5706 5705 +CONECT 5707 5708 +CONECT 5708 5707 5709 +CONECT 5709 5708 5710 +CONECT 5710 5709 5711 +CONECT 5711 5710 5712 +CONECT 5712 5711 5713 +CONECT 5713 5712 5714 +CONECT 5714 5713 5715 +CONECT 5715 5714 5716 +CONECT 5716 5715 5717 +CONECT 5717 5716 5718 +CONECT 5718 5717 5719 +CONECT 5719 5718 5720 +CONECT 5720 5719 5721 +CONECT 5721 5720 5722 +CONECT 5722 5721 +CONECT 5723 5724 5725 5732 +CONECT 5724 5723 5735 +CONECT 5725 5723 5726 5727 +CONECT 5726 5725 +CONECT 5727 5725 5728 5729 +CONECT 5728 5727 +CONECT 5729 5727 5730 5731 +CONECT 5730 5729 +CONECT 5731 5729 5732 5733 +CONECT 5732 5723 5731 +CONECT 5733 5731 5734 +CONECT 5734 5733 +CONECT 5735 5724 5736 +CONECT 5736 5735 5737 +CONECT 5737 5736 5738 +CONECT 5738 5737 5739 +CONECT 5739 5738 5740 +CONECT 5740 5739 5741 +CONECT 5741 5740 +CONECT 5742 4850 +CONECT 5744 3280 5275 5411 5418 +CONECT 5745 4294 4311 +CONECT 5746 4343 4344 4980 +CONECT 5747 3754 4428 +CONECT 5748 5749 5753 5763 5764 +CONECT 5749 5748 5750 +CONECT 5750 5749 5751 +CONECT 5751 5750 5752 +CONECT 5752 5751 5753 5765 +CONECT 5753 5748 5752 5754 +CONECT 5754 5753 5755 +CONECT 5755 5754 5756 +CONECT 5756 5755 5757 5766 +CONECT 5757 5756 5758 +CONECT 5758 5757 5759 +CONECT 5759 5758 5760 +CONECT 5760 5759 5761 5767 +CONECT 5761 5760 5762 +CONECT 5762 5110 5761 +CONECT 5763 5748 +CONECT 5764 5748 +CONECT 5765 5752 +CONECT 5766 5756 +CONECT 5767 5760 +CONECT 5768 5318 5769 5770 +CONECT 5769 5768 +CONECT 5770 5768 5771 +CONECT 5771 5770 5772 +CONECT 5772 5771 5773 +CONECT 5773 5772 5774 +CONECT 5774 5773 5775 +CONECT 5775 5774 5776 +CONECT 5776 5775 5777 +CONECT 5777 5776 5778 +CONECT 5778 5777 5779 +CONECT 5779 5778 5780 +CONECT 5780 5779 5781 +CONECT 5781 5780 5782 +CONECT 5782 5781 5783 +CONECT 5783 5782 5784 +CONECT 5784 5783 +CONECT 5785 5324 5786 5787 +CONECT 5786 5785 +CONECT 5787 5785 5788 +CONECT 5788 5787 5789 +CONECT 5789 5788 5790 +CONECT 5790 5789 5791 +CONECT 5791 5790 5792 +CONECT 5792 5791 5793 +CONECT 5793 5792 5794 +CONECT 5794 5793 5795 +CONECT 5795 5794 5796 +CONECT 5796 5795 5797 +CONECT 5797 5796 5798 +CONECT 5798 5797 5799 +CONECT 5799 5798 5800 +CONECT 5800 5799 5801 +CONECT 5801 5800 +CONECT 5802 5803 5804 +CONECT 5803 5802 +CONECT 5804 5802 5805 5806 +CONECT 5805 5804 +CONECT 5806 5804 5807 5808 +CONECT 5807 5806 +CONECT 5808 5806 5809 +CONECT 5809 5808 5810 +CONECT 5810 5809 5811 +CONECT 5811 5810 +CONECT 5812 5813 +CONECT 5813 5812 5814 +CONECT 5814 5813 5815 +CONECT 5815 5814 5816 +CONECT 5816 5815 5817 +CONECT 5817 5816 5818 +CONECT 5818 5817 5819 +CONECT 5819 5818 5820 +CONECT 5820 5819 5821 +CONECT 5821 5820 5822 +CONECT 5822 5821 5823 +CONECT 5823 5822 5824 +CONECT 5824 5823 5825 +CONECT 5825 5824 5826 +CONECT 5826 5825 5827 +CONECT 5827 5826 +CONECT 5828 5829 5830 5837 +CONECT 5829 5828 5840 +CONECT 5830 5828 5831 5832 +CONECT 5831 5830 +CONECT 5832 5830 5833 5834 +CONECT 5833 5832 +CONECT 5834 5832 5835 5836 +CONECT 5835 5834 +CONECT 5836 5834 5837 5838 +CONECT 5837 5828 5836 +CONECT 5838 5836 5839 +CONECT 5839 5838 +CONECT 5840 5829 5841 +CONECT 5841 5840 5842 +CONECT 5842 5841 5843 +CONECT 5843 5842 5844 +CONECT 5844 5843 5845 +CONECT 5845 5844 5846 +CONECT 5846 5845 +CONECT 5847 5848 5849 5856 +CONECT 5848 5847 5859 +CONECT 5849 5847 5850 5851 +CONECT 5850 5849 +CONECT 5851 5849 5852 5853 +CONECT 5852 5851 +CONECT 5853 5851 5854 5855 +CONECT 5854 5853 +CONECT 5855 5853 5856 5857 +CONECT 5856 5847 5855 +CONECT 5857 5855 5858 +CONECT 5858 5857 +CONECT 5859 5848 5860 +CONECT 5860 5859 5861 +CONECT 5861 5860 5862 +CONECT 5862 5861 5863 +CONECT 5863 5862 5864 +CONECT 5864 5863 5865 +CONECT 5865 5864 +CONECT 5866 5867 5868 5875 +CONECT 5867 5866 5878 +CONECT 5868 5866 5869 5870 +CONECT 5869 5868 +CONECT 5870 5868 5871 5872 +CONECT 5871 5870 +CONECT 5872 5870 5873 5874 +CONECT 5873 5872 +CONECT 5874 5872 5875 5876 +CONECT 5875 5866 5874 +CONECT 5876 5874 5877 +CONECT 5877 5876 +CONECT 5878 5867 5879 +CONECT 5879 5878 5880 +CONECT 5880 5879 5881 +CONECT 5881 5880 5882 +CONECT 5882 5881 5883 +CONECT 5883 5882 5884 +CONECT 5884 5883 +CONECT 5916 5648 +MASTER 426 0 39 29 8 0 0 6 5948 2 434 54 +END diff --git a/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/visualize_U57536_1U19_ref.pml b/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/visualize_U57536_1U19_ref.pml new file mode 100644 index 00000000..5b98c45e --- /dev/null +++ b/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/visualize_U57536_1U19_ref.pml @@ -0,0 +1,7 @@ +load U57536_structure_heatmap_1U19_ref.pdb +hide everything +show cartoon +spectrum b, blue_white_red, minimum=0, maximum=100 +ramp_new scale, none, [0, 50, 100], [blue, white, red] +bg_color white +# NOTE: B-factors now represent ML Feature Importance (0=Low, 100=High) diff --git a/examples/visualize_optics_custom_annotations_ex.pml b/examples/visualize_optics_custom_annotations_ex.pml new file mode 100644 index 00000000..7e6f3fa0 --- /dev/null +++ b/examples/visualize_optics_custom_annotations_ex.pml @@ -0,0 +1,33 @@ +# OPTICS Structure Annotation Script +load 1U19.pdb +hide everything +bg_color white +show cartoon, chain A +color white, chain A +set cartoon_transparency, 0.2, chain A + +# --- Annotations --- +select site_124, chain A and resi 124 +color red, site_124 +show spheres, site_124 +set sphere_scale, 1.2, site_124 +label site_124 and n. ca, 'M124T (Missense)' +select site_296, chain A and resi 296 +color yellow, site_296 +show sticks, site_296 +label site_296 and n. ca, 'Retinal Site' +select site_10, chain A and resi 10 +color blue, site_10 +set cartoon_transparency, 0.0, site_10 +label site_10 and n. ca, 'N-Terminus' +select site_11, chain A and resi 11 +color blue, site_11 +set cartoon_transparency, 0.0, site_11 +select site_12, chain A and resi 12 +color blue, site_12 +set cartoon_transparency, 0.0, site_12 + +# --- Final Settings --- +deselect +orient +ray 1000, 1000 diff --git a/examples/visualize_optics_custom_annotations_ex_chimerax.cxc b/examples/visualize_optics_custom_annotations_ex_chimerax.cxc new file mode 100644 index 00000000..b735e424 --- /dev/null +++ b/examples/visualize_optics_custom_annotations_ex_chimerax.cxc @@ -0,0 +1,27 @@ +# OPTICS Structure Annotation Script (ChimeraX) +open 1U19.pdb +hide atoms +hide cartoons +set bgColor black +show /A cartoons +color /A gray +transparency /A 20 target c + +# --- Annotations --- +color /A:124 red +show /A:124 atoms +style /A:124 sphere +label /A:124 text "M124T (Missense)" +color /A:296 yellow +show /A:296 atoms +style /A:296 stick +label /A:296 text "Retinal Site" +color /A:10 blue +transparency /A:10 0 target c +label /A:10 text "N-Terminus" +color /A:11 blue +transparency /A:11 0 target c +color /A:12 blue +transparency /A:12 0 target c + +view diff --git a/optics_structure_annotations.py b/optics_structure_annotations.py new file mode 100644 index 00000000..3a1e1ae2 --- /dev/null +++ b/optics_structure_annotations.py @@ -0,0 +1,175 @@ +import os +import sys +import argparse +import pandas as pd +import urllib.request +import pathlib + +# --- Helper: Fetch PDB --- +def fetch_pdb_if_needed(pdb_input, save_dir): + """Retrieves PDB from RCSB if input is a 4-char code, otherwise verifies local path.""" + if os.path.isfile(pdb_input): + return pdb_input + + if len(pdb_input) == 4 and pdb_input.isalnum(): + pdb_id = pdb_input.upper() + dest = os.path.join(save_dir, f"{pdb_id}.pdb") + url = f"https://files.rcsb.org/download/{pdb_id}.pdb" + print(f"Downloading PDB structure {pdb_id}...") + try: + urllib.request.urlretrieve(url, dest) + return dest + except Exception as e: + print(f"Error downloading PDB: {e}") + return None + return None + +def run_structure_annotation(annotation_file, pdb_input="1U19", output_dir=None, chain="A", software="pymol"): + """ + Generates a script to visualize arbitrary protein annotations in PyMOL or ChimeraX. + + Args: + annotation_file (str): Path to CSV/TSV with columns: 'position', 'color', 'style'. + pdb_input (str): Path to PDB or PDB ID (default 1U19). + output_dir (str): Where to save the output script. + chain (str): Chain ID to apply annotations to. + software (str): 'pymol' or 'chimerax'. + """ + software = software.lower() + if software not in ['pymol', 'chimerax']: + print(f"Error: Unsupported software '{software}'. Choose 'pymol' or 'chimerax'.") + return + + if output_dir is None: + output_dir = os.path.dirname(annotation_file) + if not os.path.exists(output_dir) and output_dir != '': + os.makedirs(output_dir, exist_ok=True) + + # 1. Load Annotation Data + try: + if annotation_file.endswith('.tsv') or annotation_file.endswith('.txt'): + df = pd.read_csv(annotation_file, sep='\t') + else: + df = pd.read_csv(annotation_file) + + df.columns = [c.lower().strip() for c in df.columns] + if 'position' not in df.columns: + raise ValueError("Input file must have a 'position' column.") + except Exception as e: + print(f"Error reading annotation file: {e}") + return + + # 2. Get PDB + pdb_path = fetch_pdb_if_needed(pdb_input, output_dir) + if not pdb_path: + print("Could not locate or download PDB file.") + return + + pdb_name = os.path.basename(pdb_path) + script_base_name = os.path.splitext(os.path.basename(annotation_file))[0] + + # --- Generate Script based on Software --- + + if software == 'pymol': + # --- PYMOL GENERATION --- + ext = ".pml" + out_path = os.path.join(output_dir, f"visualize_{script_base_name}_pymol{ext}") + + print(f"Generating PyMOL script for {len(df)} annotations...") + with open(out_path, 'w') as f: + f.write(f"# OPTICS Structure Annotation Script (PyMOL)\n") + f.write(f"load {pdb_name}\n") + f.write("hide everything\n") + f.write("bg_color black\n") + + # Base Cartoon + f.write(f"show cartoon, chain {chain}\n") + f.write(f"color gray50, chain {chain}\n") + f.write(f"set cartoon_transparency, 0.2, chain {chain}\n") + + f.write("\n# --- Annotations ---\n") + for idx, row in df.iterrows(): + pos = str(row['position']) + sel_name = f"site_{pos}" + f.write(f"select {sel_name}, chain {chain} and resi {pos}\n") + + # Color Handling (PyMOL accepts 0x for hex) + color = row.get('color', 'red') + if str(color).startswith('#'): + color = "0x" + str(color).lstrip('#') + f.write(f"color {color}, {sel_name}\n") + + # Style Handling + style = row.get('style', 'sphere').lower() + if 'sphere' in style or 'dot' in style: + f.write(f"show spheres, {sel_name}\n") + f.write(f"set sphere_scale, 1.2, {sel_name}\n") + elif 'stick' in style: + f.write(f"show sticks, {sel_name}\n") + elif 'cartoon' in style: + f.write(f"set cartoon_transparency, 0.0, {sel_name}\n") + + if 'label' in row and pd.notna(row['label']): + f.write(f"label {sel_name} and n. ca, '{str(row['label'])}'\n") + + f.write("\ndeselect\norient\n") + + elif software == 'chimerax': + # --- CHIMERAX GENERATION --- + ext = ".cxc" + out_path = os.path.join(output_dir, f"visualize_{script_base_name}_chimerax{ext}") + + print(f"Generating ChimeraX script for {len(df)} annotations...") + with open(out_path, 'w') as f: + f.write(f"# OPTICS Structure Annotation Script (ChimeraX)\n") + f.write(f"open {pdb_name}\n") + f.write("hide atoms\n") + f.write("hide cartoons\n") + f.write("set bgColor black\n") + + # Base Cartoon + # Note: ChimeraX selector syntax is /Chain:Residue + f.write(f"show /{chain} cartoons\n") + f.write(f"color /{chain} gray\n") + f.write(f"transparency /{chain} 20 target c\n") # 20% transparent + + f.write("\n# --- Annotations ---\n") + for idx, row in df.iterrows(): + pos = str(row['position']) + sel = f"/{chain}:{pos}" + + # Color Handling (ChimeraX accepts # for hex) + color = str(row.get('color', 'red')) + # ChimeraX handles #RRGGBB directly, no change needed usually + f.write(f"color {sel} {color}\n") + + # Style Handling + style = row.get('style', 'sphere').lower() + if 'sphere' in style or 'dot' in style: + f.write(f"show {sel} atoms\n") + f.write(f"style {sel} sphere\n") + elif 'stick' in style: + f.write(f"show {sel} atoms\n") + f.write(f"style {sel} stick\n") + elif 'cartoon' in style: + # Make opaque + f.write(f"transparency {sel} 0 target c\n") + + if 'label' in row and pd.notna(row['label']): + f.write(f"label {sel} text \"{str(row['label'])}\"\n") + + f.write("\nview\n") + + print(f"Done! Script saved to: {out_path}") + +if __name__ == "__main__": + parser = argparse.ArgumentParser(description="Visualize arbitrary annotations on a protein structure.") + parser.add_argument("-a", "--annotation_file", required=True, help="CSV/TSV file.") + parser.add_argument("-p", "--pdb", default="1U19", help="PDB ID or path.") + parser.add_argument("-o", "--output_dir", default=None, help="Output directory.") + parser.add_argument("--chain", default="A", help="Chain identifier.") + parser.add_argument("--software", default="chimerax", choices=['pymol', 'chimerax'], help="Target software.") + + args = parser.parse_args() + + run_structure_annotation(args.annotation_file, args.pdb, args.output_dir, args.chain, args.software) \ No newline at end of file diff --git a/optics_structure_map.py b/optics_structure_map.py index a6ee9ce4..32576cb0 100644 --- a/optics_structure_map.py +++ b/optics_structure_map.py @@ -159,61 +159,56 @@ def map_importance_to_pdb(pdb_input_path, output_path, importance_map, chain_id= print(f"Successfully created structural heatmap: {output_path}") -def run_structural_mapping(shap_csv, pdb_input=None, output_dir=None, use_query_position=False, chain='A'): +def _execute_mapping(shap_csv, pdb_input, output_dir, use_query_position, chain, suffix=""): """ - Main orchestration function. - - Args: - shap_csv (str): Path to CSV data. - pdb_input (str): Path to local PDB OR a PDB ID. If None, defaults to '1U19'. - output_dir (str): Destination for outputs. - use_query_position (bool): Map to query/target sequence if True (requires SHAP CSV to have query_position column), otherwise, map to Bovine. - chain (str): Chain to map to (Default 'A'). + Internal function to execute the mapping logic for a specific PDB target. + Allows for multiple calls (e.g. Custom PDB + Bovine Default). """ - if output_dir is None: - output_dir = os.path.dirname(shap_csv) - - if not os.path.isdir(output_dir): - os.makedirs(output_dir, exist_ok=True) - script_path = pathlib.Path(__file__).resolve() wrk_dir = str(script_path.parent).replace('\\', '/') - - print(f"\n--- Starting Structural Importance Mapping ---") - # --- PDB Resolution Logic --- pdb_file_path = None - # 1. Default Logic (No PDB provided) + # 1. PDB Resolution Logic if (not pdb_input or pdb_input.upper() == "1U19"): - print(" - No PDB provided. Defaulting to Bovine Rhodopsin (1U19).") - print(" - WARNING: Mapping SHAP values to the 1U19 structure. This assumes your sequence aligns with Bovine Rhodopsin.") + print(" - Using Bovine Rhodopsin (1U19) logic.") + if pdb_input and pdb_input.upper() == "1U19": + print(" - 1U19 explicitly requested.") + else: + print(" - No PDB provided. Defaulting to 1U19.") + pdb_input = "1U19" pdb_file_path = f"{wrk_dir}/data/cached_structures/1U19.pdb" - if use_query_position==True: - print('Cannot use query positions to map SHAP values onto Bovine Rho\nInstead, we will default back to using Bovine numbering...') - use_query_position=False - # If defaulting to 1U19, we likely want Chain A (Inactive) - if not chain: - chain = 'A' + + # When mapping to 1U19, we MUST use reference positions (unless user has pre-mapped SHAP data) + # Usually, SHAP on query seq -> Query Position. + # SHAP on Ref Seq or alignment -> Ref Position (which matches 1U19). + if use_query_position: + print(' - Note: Cannot use Query Positions to map onto standard Bovine Rho (1U19).') + print(' - Switching to Reference Numbering (assuming SHAP file contains reference_position column).') + use_query_position = False + + if not chain: chain = 'A' + else: - # 2. Local File or RCSB Download + # Local File or RCSB Download if os.path.isfile(pdb_input): print(f"1. Using local PDB file: {pdb_input}") - if use_query_position==False: - print('Cannot use Bovine Rho positions to map SHAP values onto query sequence\nInstead, we will assume the input PDB corresponds to the query sequence and map those positions to the structure...') - use_query_position=True + if not use_query_position: + print(' - Note: Mapping to custom PDB usually requires mapping Query Positions.') + print(' - Enabling Use Query Position mode.') + use_query_position = True pdb_file_path = pdb_input else: - # Check if input looks like a PDB ID if len(pdb_input) == 4 and pdb_input.isalnum(): print(f"1. '{pdb_input}' is not a local file. Checking online databases...") downloaded = fetch_pdb_from_rcsb(pdb_input, output_dir) if downloaded: pdb_file_path = downloaded - if use_query_position==False: - print('Cannot use Bovine Rho positions to map SHAP values onto query sequence\nInstead, we will assume the input PDB corresponds to the query sequence and map those positions to the structure...') - use_query_position=True + if not use_query_position: + print(' - Note: Mapping to fetched PDB usually requires mapping Query Positions.') + print(' - Enabling Use Query Position mode.') + use_query_position = True else: print(" - FATAL: Could not retrieve PDB file.") return None @@ -223,7 +218,9 @@ def run_structural_mapping(shap_csv, pdb_input=None, output_dir=None, use_query_ base_name = os.path.splitext(os.path.basename(shap_csv))[0] base_name = base_name.replace('_shap_analysis', '') - output_pdb = os.path.join(output_dir, f"{base_name}_structure_heatmap.pdb") + + # Add suffix if provided (e.g. "_bovine") + output_pdb = os.path.join(output_dir, f"{base_name}_structure_heatmap{suffix}.pdb") print(f"2. Parsing SHAP data from: {os.path.basename(shap_csv)}") @@ -251,7 +248,7 @@ def run_structural_mapping(shap_csv, pdb_input=None, output_dir=None, use_query_ map_importance_to_pdb(pdb_file_path, output_pdb, norm_importance, chain_id=chain) # PyMOL Script - pymol_script = os.path.join(output_dir, f"visualize_{base_name}.pml") + pymol_script = os.path.join(output_dir, f"visualize_{base_name}{suffix}.pml") with open(pymol_script, 'w') as pml: pml.write(f"load {os.path.basename(output_pdb)}\n") pml.write("hide everything\n") @@ -268,6 +265,56 @@ def run_structural_mapping(shap_csv, pdb_input=None, output_dir=None, use_query_ print(f" - Error writing PDB: {e}") return None +def run_structural_mapping(shap_csv, pdb_input=None, output_dir=None, use_query_position=False, chain='A', map_to_bovine_also=False): + """ + Main orchestration function. + + Args: + shap_csv (str): Path to CSV data. + pdb_input (str): Path to local PDB OR a PDB ID. If None, defaults to '1U19'. + output_dir (str): Destination for outputs. + use_query_position (bool): Map to query/target sequence if True (requires SHAP CSV to have query_position column), otherwise, map to Bovine. + chain (str): Chain to map to (Default 'A'). + map_to_bovine_also (bool): If True, runs a second pass mapping to 1U19 using reference numbering. + """ + if output_dir is None: + output_dir = os.path.dirname(shap_csv) + + if not os.path.isdir(output_dir): + os.makedirs(output_dir, exist_ok=True) + + print(f"\n--- Starting Structural Importance Mapping ---") + + primary_pdb = None + + # Pass 1: Primary Requested PDB + primary_pdb = _execute_mapping( + shap_csv, + pdb_input, + output_dir, + use_query_position, + chain + ) + + # Pass 2: Secondary Bovine Mapping (if requested and primary wasn't already 1U19) + if map_to_bovine_also: + is_already_bovine = (pdb_input and pdb_input.upper() == "1U19") or (not pdb_input) + + if not is_already_bovine: + print(f"\n--- Starting Secondary Mapping: Bovine Rhodopsin (1U19) ---") + _execute_mapping( + shap_csv, + "1U19", + output_dir, + use_query_position=False, # Force Reference Numbering for Bovine + chain='A', # Usually Chain A for 1U19 + suffix="_1U19_ref" + ) + else: + print("\n--- Secondary Mapping Skipped: Primary selection was already Bovine/1U19 ---") + + return primary_pdb + if __name__ == '__main__': parser = argparse.ArgumentParser(description="Map OPTICS SHAP importance values onto a 3D PDB structure.") @@ -276,10 +323,11 @@ def run_structural_mapping(shap_csv, pdb_input=None, output_dir=None, use_query_ parser.add_argument("-o", "--output_dir", help="Output directory", default=None) parser.add_argument("--chain", help="Chain to map to. Default: A", type=str, default='A') parser.add_argument("--use_query_position", help="Map using Reference/Bovine numbering column in CSV", action="store_true") + parser.add_argument("--map_bovine_also", help="Also generate a map for standard Bovine (1U19)", action="store_true") args = parser.parse_args() run_structural_mapping( args.shap_csv, args.pdb_file, args.output_dir, - args.use_query_position, args.chain + args.use_query_position, args.chain, args.map_bovine_also ) \ No newline at end of file diff --git a/run_optics_gui.py b/run_optics_gui.py index 4cb8426d..abaa5071 100644 --- a/run_optics_gui.py +++ b/run_optics_gui.py @@ -8,6 +8,8 @@ import math import random import queue # Import queue for thread-safe logging +import webbrowser +import platform import warnings warnings.filterwarnings("ignore") @@ -29,9 +31,15 @@ # Attempt to import the run_structural_mapping function try: from optics_structure_map import run_structural_mapping -except: +except ImportError: print("Warning: Could not import 'run_structural_mapping'. Structure Mapping mode will fail if selected.") +# Attempt to import the run_structure_annotation function +try: + from optics_structure_annotations import run_structure_annotation +except ImportError: + print("Warning: Could not import 'run_structure_annotation'. Annotation mode will fail if selected.") + # --- Eye Animation Class --- class HumanEyeLoadingScreen(tk.Toplevel): @@ -208,10 +216,15 @@ def __init__(self, parent, controller): command=lambda: self.controller.show_optics_gui('shap')) shap_btn.pack(fill=tk.X, pady=10, ipady=10) - struct_btn = ttk.Button(main_frame, text="Structure Mapping\n(3D Visualization of SHAP)", style="Big.TButton", + struct_btn = ttk.Button(main_frame, text="Structure SHAP Mapping\n(3D Visualization of SHAP)", style="Big.TButton", command=lambda: self.controller.show_optics_gui('structure')) struct_btn.pack(fill=tk.X, pady=10, ipady=10) + # New Button for Structure Annotations + annot_btn = ttk.Button(main_frame, text="Structure Annotations\n(Custom 3D Visualization)", style="Big.TButton", + command=lambda: self.controller.show_optics_gui('annotations')) + annot_btn.pack(fill=tk.X, pady=10, ipady=10) + # --- Main Logic Frame --- class OpticsGUIFrame(ttk.Frame): @@ -225,8 +238,10 @@ def __init__(self, parent, controller, mode='predictions'): self.title_suffix = "Predictions" elif self.mode == 'shap': self.title_suffix = "SHAP Analysis" - else: + elif self.mode == 'structure': self.title_suffix = "Structure Mapping" + else: # annotations + self.title_suffix = "Structure Annotations" # --- Choices --- self.version_choices = ['vpod_1.3'] @@ -237,6 +252,7 @@ def __init__(self, parent, controller, mode='predictions'): self.encoding_choices = ['one_hot', 'aa_prop'] self.refseq_choices = ['bovine', 'squid', 'microbe', 'custom'] self.viz_ftyp_choices = ['svg', 'png', 'pdf'] + self.software_choices = ['PyMOL', 'ChimeraX'] # New software choices # SHAP specific choices self.shap_mode_choices = ['both', 'comparison', 'single'] @@ -341,7 +357,7 @@ def __init__(self, parent, controller, mode='predictions'): ttk.Entry(scrollable_frame, textvariable=self.chain_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) current_row += 1 - self.use_query_pos_var = tk.BooleanVar(value=False) + self.use_query_pos_var = tk.BooleanVar(value=True) self.query_pos_check = ttk.Checkbutton(scrollable_frame, text="Use Query/Target Sequence Numbering", variable=self.use_query_pos_var) self.query_pos_check.grid(row=current_row, column=1, columnspan=2, padx=5, pady=5, sticky=tk.W) current_row += 1 @@ -349,6 +365,40 @@ def __init__(self, parent, controller, mode='predictions'): ttk.Label(scrollable_frame, text="(If unchecked, defaults to Reference/Bovine numbering from SHAP file)", font=("Century Gothic", 9)).grid(row=current_row, column=1, padx=5, pady=0, sticky=tk.W) current_row += 1 + # New: Map to Bovine Also Checkbox + self.map_bovine_also_var = tk.BooleanVar(value=False) + self.map_bovine_also_check = ttk.Checkbutton(scrollable_frame, text="Also map to Bovine Rhodopsin (1U19)", variable=self.map_bovine_also_var) + self.map_bovine_also_check.grid(row=current_row, column=1, columnspan=2, padx=5, pady=5, sticky=tk.W) + current_row += 1 + + elif self.mode == 'annotations': + # -- Structure Annotation Inputs -- + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Annotation CSV File:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.annotation_csv_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.annotation_csv_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + ttk.Button(scrollable_frame, text="Browse...", command=self.browse_annotation_csv).grid(row=current_row, column=2, padx=5, pady=5) + current_row += 1 + + ttk.Label(scrollable_frame, text="(Columns required: 'position'. Optional: 'color', 'style', 'label')", font=("Century Gothic", 9)).grid(row=current_row, column=1, padx=5, pady=0, sticky=tk.W) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="PDB File or ID (e.g. 1U19):").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.pdb_input_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.pdb_input_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + ttk.Button(scrollable_frame, text="Browse File...", command=self.browse_pdb_file).grid(row=current_row, column=2, padx=5, pady=5) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Chain ID:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.chain_var = tk.StringVar(value="A") + ttk.Entry(scrollable_frame, textvariable=self.chain_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + # New Software Selection Dropdown + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Visualization Software:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.software_var = tk.StringVar(value=self.software_choices[1]) + ttk.Combobox(scrollable_frame, textvariable=self.software_var, values=self.software_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + # --- MODE SPECIFIC OPTIONS --- @@ -456,8 +506,10 @@ def __init__(self, parent, controller, mode='predictions'): btn_text = "Run OPTICS Predictions" elif self.mode == 'shap': btn_text = "Run SHAP Analysis" - else: + elif self.mode == 'structure': btn_text = "Run Structure Mapping" + else: + btn_text = "Run Structure Annotation" self.run_button = ttk.Button(scrollable_frame, text=btn_text, command=self.start_run_thread) self.run_button.grid(row=current_row, column=0, columnspan=3, padx=5, pady=20) @@ -469,17 +521,73 @@ def __init__(self, parent, controller, mode='predictions'): self.output_text = scrolledtext.ScrolledText(scrollable_frame, wrap=tk.WORD, height=15, width=80, font=("Century Gothic", 10)) self.output_text.grid(row=current_row, column=0, columnspan=3, padx=5, pady=5, sticky=tk.NSEW) self.output_text.configure(state='disabled') + + # Setup Hyperlink Tags for Output Log + self.output_text.tag_config("hyperlink", foreground="#3498db", underline=1) + self.output_text.tag_bind("hyperlink", "", self.open_hyperlink) + self.output_text.tag_bind("hyperlink", "", lambda e: self.output_text.config(cursor="hand2")) + self.output_text.tag_bind("hyperlink", "", lambda e: self.output_text.config(cursor="")) scrollable_frame.columnconfigure(1, weight=1) # Loading Screen placeholder self.loading_screen = None + def open_hyperlink(self, event): + """Opens the directory linked in the text widget.""" + try: + index = self.output_text.index(f"@{event.x},{event.y}") + # Get the text range of the tag at this index + tags = self.output_text.tag_names(index) + if "hyperlink" in tags: + # Find the bounds of the current hyperlink + start = self.output_text.index(f"{index} wordstart") + # Adjust start if needed to capture full path including slashes/colons + # Simple approach: grab the whole line and extract the path we inserted + line_idx = index.split('.')[0] + line_text = self.output_text.get(f"{line_idx}.0", f"{line_idx}.end") + + # In write_to_log, we strip the prefix. Let's rely on the text content. + # Since we insert just the path with the tag, we can try to extract it. + # Better: The 'current' index points to the char. + # Let's just grab the whole tagged range. + ranges = self.output_text.tag_ranges("hyperlink") + for start_idx, end_idx in zip(ranges[0::2], ranges[1::2]): + if self.output_text.compare(start_idx, "<=", index) and self.output_text.compare(index, "<", end_idx): + path_to_open = self.output_text.get(start_idx, end_idx).strip() + # Handle potential file:/// prefix if we added it, though os.startfile usually handles paths + if path_to_open.startswith("file:///"): + path_to_open = path_to_open[8:] + + if platform.system() == "Windows": + os.startfile(path_to_open) + elif platform.system() == "Darwin": + subprocess.call(["open", path_to_open]) + else: + subprocess.call(["xdg-open", path_to_open]) + return + except Exception as e: + messagebox.showerror("Error", f"Could not open path: {e}") + def write_to_log(self, message, tag): """Called by the main controller to update the log widget.""" try: self.output_text.configure(state='normal') - self.output_text.insert(tk.END, message, (tag,)) + + # Check for special Link Token + link_token = ">>>LINK<<<" + if link_token in message: + parts = message.split(link_token) + # Insert pre-text + if parts[0]: + self.output_text.insert(tk.END, parts[0], (tag,)) + # Insert Link + link_path = parts[1].strip() + self.output_text.insert(tk.END, link_path, ("hyperlink",)) + self.output_text.insert(tk.END, "\n") # Ensure newline after link + else: + self.output_text.insert(tk.END, message, (tag,)) + self.output_text.see(tk.END) self.output_text.configure(state='disabled') except Exception: @@ -515,6 +623,13 @@ def browse_shap_csv(self): ("All files", "*.*"))) if filename: self.shap_csv_var.set(filename) + + def browse_annotation_csv(self): + filename = filedialog.askopenfilename(title="Select Annotation CSV/TSV", + filetypes=(("CSV/TSV files", "*.csv *.tsv *.txt"), + ("All files", "*.*"))) + if filename: + self.annotation_csv_var.set(filename) def browse_pdb_file(self): filename = filedialog.askopenfilename(title="Select PDB File", @@ -572,6 +687,13 @@ def start_run_thread(self): if not self.pdb_input_var.get(): messagebox.showerror("Input Error", "Please specify a PDB file path or ID.") return + elif self.mode == 'annotations': + if not self.annotation_csv_var.get(): + messagebox.showerror("Input Error", "Please specify the Annotation CSV file.") + return + if not self.pdb_input_var.get(): + messagebox.showerror("Input Error", "Please specify a PDB file path or ID.") + return # Create default output dir if not specified if not self.output_dir_var.get(): @@ -586,8 +708,10 @@ def start_run_thread(self): log_txt = "Starting OPTICS Predictions..." elif self.mode == 'shap': log_txt = "Starting SHAP Analysis..." - else: + elif self.mode == 'structure': log_txt = "Starting Structure Mapping..." + else: + log_txt = "Starting Structure Annotation..." self.log_message(log_txt) @@ -602,6 +726,9 @@ def run_predictions_logic(self): # Common arguments pred_dir_val = self.output_dir_var.get() + # Ensure path is absolute for linking + pred_dir_val = os.path.abspath(pred_dir_val) + if self.mode == 'predictions': input_val = self.input_file_var.get() output_val = self.prediction_prefix_var.get() @@ -645,7 +772,9 @@ def run_predictions_logic(self): self.log_message(f"\n--- Predictions Complete ---") if output_file_path: - self.controller.after(0, lambda: messagebox.showinfo("Success", f"OPTICS predictions completed successfully!\nResults are in: {os.path.dirname(output_file_path)}")) + final_dir = os.path.dirname(os.path.abspath(output_file_path)) + self.log_message(f"Results located at: >>>LINK<<<{final_dir}") + self.controller.after(0, lambda: messagebox.showinfo("Success", f"OPTICS predictions completed successfully!\nResults are in: {final_dir}")) elif self.mode == 'shap': input_val = self.input_file_var.get() @@ -663,7 +792,7 @@ def run_predictions_logic(self): input_file=input_val, pred_dir=pred_dir_val, output=output_val, - save_as=save_as, + save_as=save_as, model=model_val, encoding_method=encoding_val, model_version=version_val, @@ -673,6 +802,7 @@ def run_predictions_logic(self): use_reference_sites=use_ref ) self.log_message(f"\n--- SHAP Analysis Complete ---") + self.log_message(f"Results located at: >>>LINK<<<{pred_dir_val}") self.controller.after(0, lambda: messagebox.showinfo("Success", f"SHAP analysis completed successfully!\nResults are in: {pred_dir_val}")) elif self.mode == 'structure': @@ -680,21 +810,43 @@ def run_predictions_logic(self): pdb_input = self.pdb_input_var.get() chain_val = self.chain_var.get() use_query_pos = self.use_query_pos_var.get() + map_bovine_also = self.map_bovine_also_var.get() pdb_out = run_structural_mapping( shap_csv=csv_path, pdb_input=pdb_input, output_dir=pred_dir_val, use_query_position=use_query_pos, - chain=chain_val + chain=chain_val, + map_to_bovine_also=map_bovine_also ) self.log_message(f"\n--- Structure Mapping Complete ---") if pdb_out: self.log_message(f"PDB Saved to: {pdb_out}") + self.log_message(f"Results located at: >>>LINK<<<{pred_dir_val}") self.controller.after(0, lambda: messagebox.showinfo("Success", f"Mapping completed successfully!\nSaved PDB to: {pdb_out}")) else: self.controller.after(0, lambda: messagebox.showerror("Error", "Structure mapping failed. Check log for details.")) + + elif self.mode == 'annotations': + csv_path = self.annotation_csv_var.get() + pdb_input = self.pdb_input_var.get() + chain_val = self.chain_var.get() + software_val = self.software_var.get().lower() + + run_structure_annotation( + annotation_file=csv_path, + pdb_input=pdb_input, + output_dir=pred_dir_val, + chain=chain_val, + software=software_val + ) + + ext = ".cxc" if software_val == 'chimerax' else ".pml" + self.log_message(f"\n--- Structure Annotation Complete ---") + self.log_message(f"Results located at: >>>LINK<<<{pred_dir_val}") + self.controller.after(0, lambda: messagebox.showinfo("Success", f"Annotation script created successfully!\nCheck output directory for {ext} file.")) except Exception as e: diff --git a/run_optics_gui_old_v9.py b/run_optics_gui_old_v9.py new file mode 100644 index 00000000..4cb8426d --- /dev/null +++ b/run_optics_gui_old_v9.py @@ -0,0 +1,808 @@ +import tkinter as tk +import tkinter.font as tkFont +import sv_ttk +from tkinter import ttk, filedialog, scrolledtext, messagebox +import threading +import sys +import os +import math +import random +import queue # Import queue for thread-safe logging + +import warnings +warnings.filterwarnings("ignore") +warnings.simplefilter('ignore') + +# Attempt to import the run_optics_predictions function +try: + from optics_predictions import run_optics_predictions +except ImportError: + # Fallback/Placeholder if file not found during dev + pass + +# Attempt to import the generate_shap_explanation function +try: + from optics_shap import generate_shap_explanation +except ImportError: + print("Warning: Could not import 'generate_shap_explanation'. SHAP mode will fail if selected.") + +# Attempt to import the run_structural_mapping function +try: + from optics_structure_map import run_structural_mapping +except: + print("Warning: Could not import 'run_structural_mapping'. Structure Mapping mode will fail if selected.") + + +# --- Eye Animation Class --- +class HumanEyeLoadingScreen(tk.Toplevel): + """ + A modal loading screen with an animated eye that looks around in multiple + directions. The loading text has an animated ellipsis. + """ + def __init__(self, parent): + super().__init__(parent) + self.parent = parent + self.withdraw() # Hide window until it's configured + + # --- Configuration --- + self.title("Processing...") + self.geometry("400x300") + self.resizable(False, False) + self.transient(parent) + self.grab_set() + + # Center the loading screen over the parent window + # Update: Use parent's geometry logic more safely + try: + parent_x = parent.winfo_rootx() + parent_y = parent.winfo_rooty() + parent_width = parent.winfo_width() + parent_height = parent.winfo_height() + self.geometry(f"400x300+{parent_x + (parent_width // 2) - 200}+{parent_y + (parent_height // 2) - 150}") + except: + # Fallback if geometry calc fails + self.geometry("400x300") + + # --- Widgets --- + self.canvas = tk.Canvas(self, bg="#1c1c1c", highlightthickness=0) + self.canvas.pack(fill=tk.BOTH, expand=True) + + self.loading_label = ttk.Label( + self.canvas, + text="Processing", + font=("Century Gothic", 14, "bold"), + background="#1c1c1c", + foreground="white" # Set a static white color + ) + self.canvas.create_window(200, 265, window=self.loading_label) + + # --- Animation State --- + self.animation_running = False + self.animation_id = None + self.ellipsis_count = 0 + + # --- Eye Animation Specifics --- + self.gaze_current_x = 0.0 + self.gaze_target_x = 0.0 + self.gaze_current_y = 0.0 + self.gaze_target_y = 0.0 + + self.gaze_positions = [ + (-40, -25), (45, 20), (0, 0), (30, 25), (-20, -20), (0, 0), + (-45, 0), (45, 0), (0, 30), (0, -30), (0, 0) + ] + self.gaze_position_index = 0 + self.gaze_timer = 100 + + self.lift() + self.deiconify() + + def start_animation(self): + """Starts the eye and text animations.""" + self.animation_running = True + self.animate_eye() + self.animate_text() + + def stop_animation(self): + """Stops the animations and destroys the window.""" + self.animation_running = False + if self.animation_id: + self.after_cancel(self.animation_id) + self.destroy() + + def animate_text(self): + """Animates an ellipsis on the loading text.""" + if not self.animation_running: return + self.ellipsis_count = (self.ellipsis_count + 1) % 4 + dots = "." * self.ellipsis_count + self.loading_label.config(text=f"Processing{dots}") + self.after(400, self.animate_text) + + def animate_eye(self): + """The main animation loop for the eye's movement.""" + if not self.animation_running: return + + self.gaze_timer -= 1 + if self.gaze_timer <= 0: + self.gaze_position_index = (self.gaze_position_index + 1) % len(self.gaze_positions) + self.gaze_target_x, self.gaze_target_y = self.gaze_positions[self.gaze_position_index] + + if self.gaze_target_x == 0 and self.gaze_target_y == 0: + self.gaze_timer = random.randint(100, 150) + else: + self.gaze_timer = random.randint(40, 80) + + self.gaze_current_x += (self.gaze_target_x - self.gaze_current_x) * 0.1 + self.gaze_current_y += (self.gaze_target_y - self.gaze_current_y) * 0.1 + + self.canvas.delete("all") + self.canvas.create_window(200, 265, window=self.loading_label) + center_x, center_y = 200, 130 + + self.canvas.create_oval(center_x - 110, center_y - 80, center_x + 110, center_y + 80, fill="#111111", outline="") + self.canvas.create_oval(center_x - 100, center_y - 70, center_x + 100, center_y + 70, fill="#EAEAEA", outline="") + + iris_x = center_x + self.gaze_current_x + iris_y = center_y + self.gaze_current_y + iris_radius = 35 + pupil_radius = 15 + self.canvas.create_oval(iris_x - iris_radius, iris_y - iris_radius, iris_x + iris_radius, iris_y + iris_radius, fill="#5DADE2", outline="") + self.canvas.create_oval(iris_x - pupil_radius, iris_y - pupil_radius, iris_x + pupil_radius, iris_y + pupil_radius, fill="black", outline="") + + highlight_x = iris_x + 10 + highlight_y = iris_y - 10 + self.canvas.create_oval(highlight_x - 5, highlight_y - 5, highlight_x + 3, highlight_y + 3, fill="white", outline="") + + self.animation_id = self.after(30, self.animate_eye) + + +# --- Text Redirector Class --- +class TextRedirector(object): + """ + A thread-safe redirector that writes to a Queue instead of directly to a Widget. + """ + def __init__(self, log_queue, tag="stdout"): + self.log_queue = log_queue + self.tag = tag + + def write(self, str_): + self.log_queue.put((self.tag, str_)) + + def flush(self): + pass + + +# --- Mode Selector Frame --- +class ModeSelectorFrame(ttk.Frame): + """ + Selection screen displayed inside the main application window. + """ + def __init__(self, parent, controller): + super().__init__(parent) + self.controller = controller + + # Main Layout + main_frame = ttk.Frame(self, padding="20") + main_frame.pack(fill=tk.BOTH, expand=True) + + # Use the logo image stored in the controller (App) + if hasattr(self.controller, 'logo_icon_img') and self.controller.logo_icon_img: + logo_lbl = ttk.Label(main_frame, image=self.controller.logo_icon_img) + logo_lbl.pack(pady=(0, 10)) + + title_lbl = ttk.Label(main_frame, text="Welcome to OPTICS", font=("Century Gothic", 18, "bold")) + title_lbl.pack(pady=10) + + subtitle_lbl = ttk.Label(main_frame, text="Select your analysis pipeline:", font=("Century Gothic", 12)) + subtitle_lbl.pack(pady=(0, 20)) + + # Buttons + style = ttk.Style() + style.configure("Big.TButton", font=("Century Gothic", 12)) + + pred_btn = ttk.Button(main_frame, text="Standard Predictions\n(λmax & Spectral Tuning)", style="Big.TButton", + command=lambda: self.controller.show_optics_gui('predictions')) + pred_btn.pack(fill=tk.X, pady=10, ipady=10) + + shap_btn = ttk.Button(main_frame, text="SHAP Interpretation\n(Amino-Acid Importance)", style="Big.TButton", + command=lambda: self.controller.show_optics_gui('shap')) + shap_btn.pack(fill=tk.X, pady=10, ipady=10) + + struct_btn = ttk.Button(main_frame, text="Structure Mapping\n(3D Visualization of SHAP)", style="Big.TButton", + command=lambda: self.controller.show_optics_gui('structure')) + struct_btn.pack(fill=tk.X, pady=10, ipady=10) + + +# --- Main Logic Frame --- +class OpticsGUIFrame(ttk.Frame): + def __init__(self, parent, controller, mode='predictions'): + super().__init__(parent) + self.controller = controller + self.mode = mode + + # Mode-specific settings + if self.mode == 'predictions': + self.title_suffix = "Predictions" + elif self.mode == 'shap': + self.title_suffix = "SHAP Analysis" + else: + self.title_suffix = "Structure Mapping" + + # --- Choices --- + self.version_choices = ['vpod_1.3'] + self.model_choices = ['whole-dataset', 'wildtype', 'vertebrate', 'invertebrate', + 'wildtype-vert', 'type-one', 'whole-dataset-mnm', + 'wildtype-mnm', 'vertebrate-mnm', 'invertebrate-mnm', + 'wildtype-vert-mnm', 'wildtype-mut'] + self.encoding_choices = ['one_hot', 'aa_prop'] + self.refseq_choices = ['bovine', 'squid', 'microbe', 'custom'] + self.viz_ftyp_choices = ['svg', 'png', 'pdf'] + + # SHAP specific choices + self.shap_mode_choices = ['both', 'comparison', 'single'] + + # --- Top Bar --- + top_bar_frame = ttk.Frame(self) + top_bar_frame.pack(fill=tk.X, padx=10, pady=(10,0)) + + header_text = f"OPTICS: {self.title_suffix}" + + # Use logo from controller + if hasattr(self.controller, 'logo_icon_img') and self.controller.logo_icon_img: + gui_logo_label = ttk.Label(top_bar_frame, image=self.controller.logo_icon_img, text=header_text, font=("Century Gothic", 16, "bold"), compound="left") + gui_logo_label.pack(side=tk.LEFT, padx=(0,10)) + else: + gui_logo_label = ttk.Label(top_bar_frame, text=header_text, font=("Century Gothic", 16, "bold")) + gui_logo_label.pack(side=tk.LEFT, padx=(0,10)) + + + self.theme_toggle_button = ttk.Button(top_bar_frame, text="Toggle Theme", command=self.controller.toggle_theme) + self.theme_toggle_button.pack(side=tk.RIGHT, padx=(0,5)) + + self.back_button = ttk.Button(top_bar_frame, text="← Back", command=self.go_back) + self.back_button.pack(side=tk.RIGHT, padx=(0,5)) + + # --- Main Scrollable Area --- + main_frame = ttk.Frame(self, padding="10") + main_frame.pack(fill=tk.BOTH, expand=True) + + canvas = tk.Canvas(main_frame) + scrollbar = ttk.Scrollbar(main_frame, orient="vertical", command=canvas.yview) + scrollable_frame = ttk.Frame(canvas) + + scrollable_frame.bind( + "", + lambda e: canvas.configure( + scrollregion=canvas.bbox("all") + ) + ) + + canvas.create_window((0, 0), window=scrollable_frame, anchor="nw") + canvas.configure(yscrollcommand=scrollbar.set) + + canvas.pack(side="left", fill="both", expand=True) + scrollbar.pack(side="right", fill="y") + + # --- INPUT WIDGETS --- + current_row = 0 + scrollable_frame.columnconfigure(1, weight=1) + + # 1. Output Directory (Common to all modes) + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Directory:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.output_dir_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.output_dir_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + ttk.Button(scrollable_frame, text="Browse...", command=self.browse_output_dir).grid(row=current_row, column=2, padx=5, pady=5) + current_row += 1 + + if self.mode in ['predictions', 'shap']: + # -- ML Workflow Inputs -- + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Input Sequence/FASTA File:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.input_file_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.input_file_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + ttk.Button(scrollable_frame, text="Browse...", command=self.browse_input_file).grid(row=current_row, column=2, padx=5, pady=5) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Filename Prefix:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.prediction_prefix_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.prediction_prefix_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Model Version:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.version_var = tk.StringVar(value=self.version_choices[0]) + ttk.Combobox(scrollable_frame, textvariable=self.version_var, values=self.version_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Model:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.model_var = tk.StringVar(value=self.model_choices[0]) + ttk.Combobox(scrollable_frame, textvariable=self.model_var, values=self.model_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Encoding Method:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.encoding_var = tk.StringVar(value=self.encoding_choices[1]) + ttk.Combobox(scrollable_frame, textvariable=self.encoding_var, values=self.encoding_choices, state="readonly", width=57).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + elif self.mode == 'structure': + # -- Structure Mapping Inputs -- + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="SHAP Analysis CSV File:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.shap_csv_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.shap_csv_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + ttk.Button(scrollable_frame, text="Browse...", command=self.browse_shap_csv).grid(row=current_row, column=2, padx=5, pady=5) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="PDB File or ID (e.g. 1U19):").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.pdb_input_var = tk.StringVar() + ttk.Entry(scrollable_frame, textvariable=self.pdb_input_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + ttk.Button(scrollable_frame, text="Browse File...", command=self.browse_pdb_file).grid(row=current_row, column=2, padx=5, pady=5) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Chain ID:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.chain_var = tk.StringVar(value="A") + ttk.Entry(scrollable_frame, textvariable=self.chain_var, width=60).grid(row=current_row, column=1, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + self.use_query_pos_var = tk.BooleanVar(value=False) + self.query_pos_check = ttk.Checkbutton(scrollable_frame, text="Use Query/Target Sequence Numbering", variable=self.use_query_pos_var) + self.query_pos_check.grid(row=current_row, column=1, columnspan=2, padx=5, pady=5, sticky=tk.W) + current_row += 1 + + ttk.Label(scrollable_frame, text="(If unchecked, defaults to Reference/Bovine numbering from SHAP file)", font=("Century Gothic", 9)).grid(row=current_row, column=1, padx=5, pady=0, sticky=tk.W) + current_row += 1 + + + # --- MODE SPECIFIC OPTIONS --- + + if self.mode == 'predictions': + # -- Prediction specific options -- + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Tolerate Non-standard AAs:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.non_standard_aa_var = tk.BooleanVar(value=True) + self.non_standard_aa_check = ttk.Checkbutton(scrollable_frame, text="Enable to predict on sequences with non-standard amino-acids", variable=self.non_standard_aa_var) + self.non_standard_aa_check.grid(row=current_row, column=1, columnspan=2, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Tolerate Incomplete Seqs:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + self.incomp_seqs_var = tk.BooleanVar(value=False) + self.incomp_seqs_check = ttk.Checkbutton(scrollable_frame, text="Enable to predict on sequences outside range of 250-650 amino-acids", variable=self.incomp_seqs_var) + self.incomp_seqs_check.grid(row=current_row, column=1, columnspan=2, padx=5, pady=5, sticky=tk.EW) + current_row += 1 + + # BLASTp Frame + blastp_frame = ttk.LabelFrame(scrollable_frame, text="BLASTp Options", padding="10") + blastp_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) + current_row += 1 + + self.blastp_enabled_var = tk.BooleanVar(value=True) + self.blastp_check = ttk.Checkbutton(blastp_frame, text="Enable BLASTp Analysis", variable=self.blastp_enabled_var, command=self.toggle_blastp_options) + self.blastp_check.grid(row=0, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + ttk.Label(blastp_frame, font=("Century Gothic", 12), text="BLASTp Report Filename:").grid(row=1, column=0, padx=5, pady=5, sticky=tk.W) + self.blastp_report_var = tk.StringVar(value="blastp_report.txt") + self.blastp_report_entry = ttk.Entry(blastp_frame, textvariable=self.blastp_report_var, width=50) + self.blastp_report_entry.grid(row=1, column=1, padx=5, pady=5, sticky=tk.EW) + + ttk.Label(blastp_frame, font=("Century Gothic", 12), text="Reference Sequence:").grid(row=2, column=0, padx=5, pady=5, sticky=tk.W) + self.refseq_var = tk.StringVar(value=self.refseq_choices[0]) + self.refseq_combo = ttk.Combobox(blastp_frame, textvariable=self.refseq_var, values=self.refseq_choices, state="readonly", width=47) + self.refseq_combo.grid(row=2, column=1, padx=5, pady=5, sticky=tk.EW) + self.refseq_combo.bind("<>", self.toggle_custom_ref_file) + + ttk.Label(blastp_frame, font=("Century Gothic", 12), text="Custom Reference File:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) + self.custom_ref_file_var = tk.StringVar() + self.custom_ref_file_entry = ttk.Entry(blastp_frame, textvariable=self.custom_ref_file_var, width=50) + self.custom_ref_file_entry.grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) + self.custom_ref_file_button = ttk.Button(blastp_frame, text="Browse...", command=self.browse_custom_ref_file) + self.custom_ref_file_button.grid(row=3, column=2, padx=5, pady=5) + + # Bootstrap Frame + bootstrap_frame = ttk.LabelFrame(scrollable_frame, text="Bootstrap Options", padding="10") + bootstrap_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) + current_row += 1 + + self.bootstrap_enabled_var = tk.BooleanVar(value=True) + self.bootstrap_check = ttk.Checkbutton(bootstrap_frame, text="Enable Bootstrap Predictions", variable=self.bootstrap_enabled_var, command=self.toggle_bootstrap_options) + self.bootstrap_check.grid(row=0, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + self.visualize_bootstrap_var = tk.BooleanVar(value=True) + self.visualize_check = ttk.Checkbutton(bootstrap_frame, text="Visualize Bootstrap Predictions", variable=self.visualize_bootstrap_var, command=self.toggle_bootstrap_options) + self.visualize_check.grid(row=1, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + ttk.Label(bootstrap_frame, font=("Century Gothic", 12), text="Bootstrap Viz Filename:").grid(row=2, column=0, padx=5, pady=5, sticky=tk.W) + self.bootstrap_viz_file_var = tk.StringVar(value="bootstrap_viz") + self.bootstrap_viz_entry = ttk.Entry(bootstrap_frame, textvariable=self.bootstrap_viz_file_var, width=50) + self.bootstrap_viz_entry.grid(row=2, column=1, padx=5, pady=5, sticky=tk.EW) + + ttk.Label(bootstrap_frame, font=("Century Gothic", 12), text="Viz Filetype:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) + self.bootstrap_fytp_var = tk.StringVar(value=self.viz_ftyp_choices[0]) + self.fytp_combo = ttk.Combobox(bootstrap_frame, textvariable=self.bootstrap_fytp_var, values=self.viz_ftyp_choices, state="readonly", width=47) + self.fytp_combo.grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) + + self.viz_xaxis_scale = tk.BooleanVar(value=False) + self.xaxis_check = ttk.Checkbutton(bootstrap_frame, text="Enable Full-Spectrum X-axis (300-650nm)", variable=self.viz_xaxis_scale) + self.xaxis_check.grid(row=4, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + # Init options + self.toggle_blastp_options() + self.toggle_bootstrap_options() + self.toggle_custom_ref_file() + + elif self.mode == 'shap': + # -- SHAP specific options -- + shap_frame = ttk.LabelFrame(scrollable_frame, text="SHAP Interpretation Options", padding="10") + shap_frame.grid(row=current_row, column=0, columnspan=3, padx=5, pady=10, sticky=tk.EW) + current_row += 1 + + # Analysis Mode + ttk.Label(shap_frame, font=("Century Gothic", 12), text="Analysis Mode:").grid(row=0, column=0, padx=5, pady=5, sticky=tk.W) + self.shap_mode_var = tk.StringVar(value=self.shap_mode_choices[0]) + ttk.Combobox(shap_frame, textvariable=self.shap_mode_var, values=self.shap_mode_choices, state="readonly", width=47).grid(row=0, column=1, padx=5, pady=5, sticky=tk.EW) + + # N Positions + ttk.Label(shap_frame, font=("Century Gothic", 12), text="Top N Features to Show:").grid(row=1, column=0, padx=5, pady=5, sticky=tk.W) + self.n_positions_var = tk.IntVar(value=10) + ttk.Spinbox(shap_frame, from_=1, to=100, textvariable=self.n_positions_var, width=48).grid(row=1, column=1, padx=5, pady=5, sticky=tk.EW) + + # Use Reference Sites + self.use_ref_sites_var = tk.BooleanVar(value=True) + ttk.Checkbutton(shap_frame, text="Use Reference Numbering (e.g., Bovine Rhodopsin positions)", variable=self.use_ref_sites_var).grid(row=2, column=0, columnspan=2, padx=5, pady=5, sticky=tk.W) + + # Filetype + ttk.Label(shap_frame, font=("Century Gothic", 12), text="Save Visualizations As:").grid(row=3, column=0, padx=5, pady=5, sticky=tk.W) + self.shap_save_as_var = tk.StringVar(value=self.viz_ftyp_choices[0]) + ttk.Combobox(shap_frame, textvariable=self.shap_save_as_var, values=self.viz_ftyp_choices, state="readonly", width=47).grid(row=3, column=1, padx=5, pady=5, sticky=tk.EW) + + + # --- Run Button --- + if self.mode == 'predictions': + btn_text = "Run OPTICS Predictions" + elif self.mode == 'shap': + btn_text = "Run SHAP Analysis" + else: + btn_text = "Run Structure Mapping" + + self.run_button = ttk.Button(scrollable_frame, text=btn_text, command=self.start_run_thread) + self.run_button.grid(row=current_row, column=0, columnspan=3, padx=5, pady=20) + current_row += 1 + + # --- Status/Output Area --- + ttk.Label(scrollable_frame, font=("Century Gothic", 12), text="Output Log:").grid(row=current_row, column=0, padx=5, pady=5, sticky=tk.W) + current_row += 1 + self.output_text = scrolledtext.ScrolledText(scrollable_frame, wrap=tk.WORD, height=15, width=80, font=("Century Gothic", 10)) + self.output_text.grid(row=current_row, column=0, columnspan=3, padx=5, pady=5, sticky=tk.NSEW) + self.output_text.configure(state='disabled') + + scrollable_frame.columnconfigure(1, weight=1) + + # Loading Screen placeholder + self.loading_screen = None + + def write_to_log(self, message, tag): + """Called by the main controller to update the log widget.""" + try: + self.output_text.configure(state='normal') + self.output_text.insert(tk.END, message, (tag,)) + self.output_text.see(tk.END) + self.output_text.configure(state='disabled') + except Exception: + pass # Widget might be dead, ignore + + def go_back(self): + """Signals that the user wants to return to the mode selector.""" + self.controller.show_mode_selector() + + def browse_input_file(self): + filename = filedialog.askopenfilename(title="Select Input FASTA File", + filetypes=(("FASTA files", "*.fasta *.fa *.fna *.faa *.fas"), + ("Text files", "*.txt"), + ("All files", "*.*"))) + if filename: + self.input_file_var.set(filename) + + def browse_output_dir(self): + dirname = filedialog.askdirectory(title="Select Output Directory") + if dirname: + self.output_dir_var.set(dirname) + + def browse_custom_ref_file(self): + filename = filedialog.askopenfilename(title="Select Custom Reference File", + filetypes=(("FASTA files", "*.fasta *.fa *.fna *.faa *.fas"), + ("All files", "*.*"))) + if filename: + self.custom_ref_file_var.set(filename) + + def browse_shap_csv(self): + filename = filedialog.askopenfilename(title="Select SHAP Analysis CSV", + filetypes=(("CSV files", "*.csv"), + ("All files", "*.*"))) + if filename: + self.shap_csv_var.set(filename) + + def browse_pdb_file(self): + filename = filedialog.askopenfilename(title="Select PDB File", + filetypes=(("PDB files", "*.pdb"), + ("All files", "*.*"))) + if filename: + self.pdb_input_var.set(filename) + + + def toggle_blastp_options(self): + state = tk.NORMAL if self.blastp_enabled_var.get() else tk.DISABLED + self.blastp_report_entry.configure(state=state) + self.refseq_combo.configure(state="readonly" if state == tk.NORMAL else tk.DISABLED) + self.toggle_custom_ref_file() + + def toggle_custom_ref_file(self, event=None): + if not hasattr(self, 'blastp_enabled_var'): return + + blastp_on = self.blastp_enabled_var.get() + custom_ref_selected = self.refseq_var.get() == "custom" + + if blastp_on and custom_ref_selected: + self.custom_ref_file_entry.configure(state=tk.NORMAL) + self.custom_ref_file_button.configure(state=tk.NORMAL) + else: + self.custom_ref_file_entry.configure(state=tk.DISABLED) + self.custom_ref_file_button.configure(state=tk.DISABLED) + if not custom_ref_selected: + self.custom_ref_file_var.set("") + + def toggle_bootstrap_options(self): + bootstrap_state = tk.NORMAL if self.bootstrap_enabled_var.get() else tk.DISABLED + self.visualize_check.configure(state=bootstrap_state) + + visualize_state = tk.NORMAL if (self.bootstrap_enabled_var.get() and self.visualize_bootstrap_var.get()) else tk.DISABLED + self.bootstrap_viz_entry.configure(state=visualize_state) + self.xaxis_check.configure(state=visualize_state) + self.fytp_combo.configure(state="readonly" if visualize_state == tk.NORMAL else tk.DISABLED) + + + def log_message(self, message): + """Thread-safe logging helper - puts message in queue via print/stdout redirect.""" + print(message) + + def start_run_thread(self): + # Validation based on mode + if self.mode in ['predictions', 'shap']: + if not self.input_file_var.get(): + messagebox.showerror("Input Error", "Please specify an input sequence/FASTA file.") + return + elif self.mode == 'structure': + if not self.shap_csv_var.get(): + messagebox.showerror("Input Error", "Please specify the SHAP Analysis CSV file.") + return + if not self.pdb_input_var.get(): + messagebox.showerror("Input Error", "Please specify a PDB file path or ID.") + return + + # Create default output dir if not specified + if not self.output_dir_var.get(): + self.output_dir_var.set(os.path.join(os.getcwd(), 'prediction_outputs')) + + self.run_button.config(state=tk.DISABLED) + self.output_text.configure(state='normal') + self.output_text.delete(1.0, tk.END) + self.output_text.configure(state='disabled') + + if self.mode == 'predictions': + log_txt = "Starting OPTICS Predictions..." + elif self.mode == 'shap': + log_txt = "Starting SHAP Analysis..." + else: + log_txt = "Starting Structure Mapping..." + + self.log_message(log_txt) + + self.loading_screen = HumanEyeLoadingScreen(self.controller) + self.loading_screen.start_animation() + + thread = threading.Thread(target=self.run_predictions_logic, daemon=True) + thread.start() + + def run_predictions_logic(self): + try: + # Common arguments + pred_dir_val = self.output_dir_var.get() + + if self.mode == 'predictions': + input_val = self.input_file_var.get() + output_val = self.prediction_prefix_var.get() + if not output_val: output_val = "optics_results" + version_val = self.version_var.get() + model_val = self.model_var.get() + encoding_val = self.encoding_var.get() + tol_non_stan_aa = self.non_standard_aa_var.get() + tol_incomp_seqs = self.incomp_seqs_var.get() + + blastp_val = self.blastp_enabled_var.get() + iden_report_val = self.blastp_report_var.get() if blastp_val else None + refseq_val = self.refseq_var.get() if blastp_val else "bovine" + reffile_val = self.custom_ref_file_var.get() if blastp_val and self.refseq_var.get() == "custom" else None + + bootstrap_val = self.bootstrap_enabled_var.get() + visualize_bootstrap_val = self.visualize_bootstrap_var.get() if bootstrap_val else False + bootstrap_viz_file_val = self.bootstrap_viz_file_var.get() if bootstrap_val and visualize_bootstrap_val else None + viz_ftyp_val = self.bootstrap_fytp_var.get() if bootstrap_val and visualize_bootstrap_val else None + xaxis_val = self.viz_xaxis_scale.get() if bootstrap_val and visualize_bootstrap_val else None + + pred_df, output_file_path = run_optics_predictions( + input_sequence=input_val, + pred_dir=pred_dir_val, + output=output_val, + model=model_val, + encoding_method=encoding_val, + blastp=blastp_val, + iden_report=iden_report_val, + refseq=refseq_val, + reffile=reffile_val, + bootstrap=bootstrap_val, + visualize_bootstrap=visualize_bootstrap_val, + bootstrap_viz_file=bootstrap_viz_file_val, + save_as=viz_ftyp_val, + full_spectrum_xaxis=xaxis_val, + model_version=version_val, + tolerate_non_standard_aa=tol_non_stan_aa, + tolerate_incomplete_seqs=tol_incomp_seqs + ) + + self.log_message(f"\n--- Predictions Complete ---") + if output_file_path: + self.controller.after(0, lambda: messagebox.showinfo("Success", f"OPTICS predictions completed successfully!\nResults are in: {os.path.dirname(output_file_path)}")) + + elif self.mode == 'shap': + input_val = self.input_file_var.get() + output_val = self.prediction_prefix_var.get() + if not output_val: output_val = "optics_results" + version_val = self.version_var.get() + model_val = self.model_var.get() + encoding_val = self.encoding_var.get() + shap_mode = self.shap_mode_var.get() + n_pos = self.n_positions_var.get() + use_ref = self.use_ref_sites_var.get() + save_as = self.shap_save_as_var.get() + + generate_shap_explanation( + input_file=input_val, + pred_dir=pred_dir_val, + output=output_val, + save_as=save_as, + model=model_val, + encoding_method=encoding_val, + model_version=version_val, + cmd_line="GUI_Execution", + mode=shap_mode, + n_positions=n_pos, + use_reference_sites=use_ref + ) + self.log_message(f"\n--- SHAP Analysis Complete ---") + self.controller.after(0, lambda: messagebox.showinfo("Success", f"SHAP analysis completed successfully!\nResults are in: {pred_dir_val}")) + + elif self.mode == 'structure': + csv_path = self.shap_csv_var.get() + pdb_input = self.pdb_input_var.get() + chain_val = self.chain_var.get() + use_query_pos = self.use_query_pos_var.get() + + pdb_out = run_structural_mapping( + shap_csv=csv_path, + pdb_input=pdb_input, + output_dir=pred_dir_val, + use_query_position=use_query_pos, + chain=chain_val + ) + + self.log_message(f"\n--- Structure Mapping Complete ---") + if pdb_out: + self.log_message(f"PDB Saved to: {pdb_out}") + self.controller.after(0, lambda: messagebox.showinfo("Success", f"Mapping completed successfully!\nSaved PDB to: {pdb_out}")) + else: + self.controller.after(0, lambda: messagebox.showerror("Error", "Structure mapping failed. Check log for details.")) + + + except Exception as e: + self.log_message(f"\n--- ERROR ---") + self.log_message(f"An error occurred: {str(e)}") + import traceback + self.log_message(f"Traceback:\n{traceback.format_exc()}") + self.controller.after(0, lambda: messagebox.showerror("Error", f"An error occurred: {e}")) + finally: + self.controller.after(0, lambda: self.run_button.config(state=tk.NORMAL)) + if self.loading_screen: + self.controller.after(0, self.loading_screen.stop_animation) + + +# --- Main Application Controller --- +class OpticsApp(tk.Tk): + """ + Main Application Window (Single Root). + Manages navigation between frames (ModeSelector -> OpticsGUI). + Keeps the Tcl interpreter alive to prevent Threading/GC errors. + """ + def __init__(self): + super().__init__() + self.title("OPTICS Pipeline") + self.geometry("1000x950") + + # --- Theme --- + sv_ttk.set_theme("dark") + self.dark_mode_enabled = True + + # --- Define default font --- + default_font = tkFont.nametofont("TkDefaultFont") + default_font.configure(family="Century Gothic", size=10) + self.option_add("*Font", default_font) + + # --- Logo --- + self.logo_icon_display_path = "./data/logo/optics_logo_resized.png" + self.logo_icon_img = None + try: + self.logo_icon_img = tk.PhotoImage(file=self.logo_icon_display_path) + self.iconphoto(True, self.logo_icon_img) + except tk.TclError: + pass + + # --- Logging Setup --- + self.log_queue = queue.Queue() + # Redirect stdout/stderr to queue + sys.stdout = TextRedirector(self.log_queue, "stdout") + sys.stderr = TextRedirector(self.log_queue, "stderr") + + # --- Frame Container --- + self.container = ttk.Frame(self) + self.container.pack(fill="both", expand=True) + + self.current_frame = None + + # Start with Mode Selector + self.show_mode_selector() + + # Start Log Polling + self.update_log_from_queue() + + def show_mode_selector(self): + """Switches to the Mode Selector screen.""" + if self.current_frame: + self.current_frame.destroy() + self.current_frame = ModeSelectorFrame(self.container, self) + self.current_frame.pack(fill="both", expand=True) + + def show_optics_gui(self, mode): + """Switches to the Main Logic screen for the selected mode.""" + if self.current_frame: + self.current_frame.destroy() + self.current_frame = OpticsGUIFrame(self.container, self, mode) + self.current_frame.pack(fill="both", expand=True) + + def toggle_theme(self): + if self.dark_mode_enabled: + sv_ttk.set_theme("light") + self.dark_mode_enabled = False + else: + sv_ttk.set_theme("dark") + self.dark_mode_enabled = True + + def update_log_from_queue(self): + """Polls the queue and updates the current frame if it has a log widget.""" + while not self.log_queue.empty(): + try: + tag, message = self.log_queue.get_nowait() + # Check if current frame has the logging method + if hasattr(self.current_frame, 'write_to_log'): + self.current_frame.write_to_log(message, tag) + except queue.Empty: + break + + self.after(100, self.update_log_from_queue) + + def destroy(self): + """Restore stdout/stderr when app closes.""" + sys.stdout = sys.__stdout__ + sys.stderr = sys.__stderr__ + super().destroy() + + +if __name__ == "__main__": + script_dir = os.path.dirname(os.path.abspath(__file__)) + if script_dir not in sys.path: + sys.path.insert(0, script_dir) + + app = OpticsApp() + app.mainloop() \ No newline at end of file From e3d7e98d21e224cdde6709ac74665de92e421b67 Mon Sep 17 00:00:00 2001 From: k-wavy <105947657+k-wavy@users.noreply.github.com> Date: Wed, 18 Feb 2026 14:23:06 +0100 Subject: [PATCH 04/16] Update README.md --- README.md | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/README.md b/README.md index ecd5b7a5..17ba7ecf 100644 --- a/README.md +++ b/README.md @@ -1,9 +1,10 @@ **Code**: [![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0) **Data**: [![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0) **VPOD_v1.2 DOI**: [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.12213246.svg)](https://doi.org/10.5281/zenodo.12213246) -Opsin Phenotype Tool for Inference of Color Sensitivity (OPTICS) [v1.3] -======================================================================= +# Opsin Phenotype Tool for Inference of Color Sensitivity (OPTICS) [v1.3] -*Example Box Plot Output for Bootstrap Predictions of Opsin λmax by OPTICS* +![](https://github.com/VisualPhysiologyDB/optics/blob/main/data/logo/optics_bs_fig_ex.svg?raw=true) + + _Example Box Plot Output for Bootstrap Predictions of Opsin λmax by OPTICS_ Description ----------- From 360e1cec84f9357793cb06ee8d453d5709ab2253 Mon Sep 17 00:00:00 2001 From: Seth Frazer <105947657+k-wavy@users.noreply.github.com> Date: Fri, 20 Feb 2026 13:30:05 +0100 Subject: [PATCH 05/16] Enhance README with detailed feature descriptions Updated README to clarify OPTICS features and usage instructions. --- README.md | 75 +++++++++++++++++++++++++++++-------------------------- 1 file changed, 39 insertions(+), 36 deletions(-) diff --git a/README.md b/README.md index 17ba7ecf..50083f52 100644 --- a/README.md +++ b/README.md @@ -9,11 +9,11 @@ Description ----------- -- **OPTICS** is an open-source tool that predicts the Opsin Phenotype (λmax) from unaligned opsin amino-acid sequences. +- **OPTICS** is an open-source tool that uses machine learning (ML) models to predict Opsin Phenotype (λmax) from unaligned opsin amino-acid sequences. -- **OPTICS** leverages machine learning models trained on the Visual Physiology Opsin Database (VPOD). +- **OPTICS** leverages machine learning models trained on genotype-phenotype from the [**Visual Physiology Opsin Database (VPOD)**](https://github.com/VisualPhysiologyDB/visual-physiology-opsin-db). -- **OPTICS** allows for **structural mapping** of prediction features, translating machine learning insights directly onto 3D protein structures (PDB). +- **OPTICS** allows for **structural mapping** of sequence features important to model prediction (using SHAP), translating machine learning insights directly onto 3D protein structures (PDB). - **OPTICS** can be downloaded and used as a command-line or GUI tool. @@ -26,42 +26,46 @@ Key Features - **λmax Prediction**: Predicts the peak light absorption wavelength (λmax) for opsin proteins. -- **Model Selection**: Choose from different pre-trained models for prediction (e.g., vertebrate, invertebrate, wildtype). - -- **Encoding Methods**: Select between one-hot encoding or amino-acid property encoding. +- **Model Selection**: Choose from different pre-trained models for prediction. - **BLAST Analysis**: Optionally perform BLASTp analysis to compare query sequences against reference datasets. - **Bootstrap Predictions**: Enable bootstrap predictions for enhanced accuracy assessment with confidence intervals. -- **Prediction Explanation (SHAP)**: Explains the key features driving the λmax difference between sequences using SHAP values. +- **Prediction Explanation (SHAP)**: Explains the key sequence features driving model predictions of λmax. This feature also allows for all-to-all pairwise comparisons of the features driving differences in predicted λmax between sequences using SHAP values. -- **Structure Mapping (NEW)**: Project SHAP importance values onto 3D PDB structures to create "importance heatmaps." +- **Structure Mapping**: Project SHAP importance values onto 3D PDB structures to create "importance heatmaps." -- **Structure Annotation (NEW)**: Visualize custom annotations on 3D structures using automated PyMOL or ChimeraX scripting. +- **Structure Annotation**: Visualize custom annotations on 3D structures using automated PyMOL or ChimeraX scripting. Table of Contents ----------------- -1. [Installation](https://www.google.com/search?q=%23installation "null") +1. [Installation](#installation) + +2. [Data File Structure](#data-file-structure) + +3. [Usage](#usage) -2. [Data File Structure](https://www.google.com/search?q=%23data-file-structure "null") + - [Prediction: `optics_predictions.py`](#1-λmax-prediction-optics_predictionspy) -3. [Usage](https://www.google.com/search?q=%23usage "null") + - [SHAP Explanation: `optics_shap.py`](#2-explaining-model-predictions-with-shap-optics_shappy) - - [Prediction: `optics_predictions.py`](https://www.google.com/search?q=%231-prediction-optics_predictionspy "null") + - [SHAP Structure Mapping: `optics_structure_map.py`](#3-mapping-shap-importance-to-3d-structure-optics_structure_mappy) - - [Explanation: `optics_shap.py`](https://www.google.com/search?q=%232-explanation-optics_shappy "null") + - [Annotation: `optics_structure_annotations.py`](#4-generate-custom-structure-annotations-optics_structure_annotationspy) - - [Structure Mapping: `optics_structure_map.py`](https://www.google.com/search?q=%233-structural-mapping-optics_structure_mappy "null") + - [GUI: `run_optics_gui.py`](#5-using-the-optics-gui) - - [Annotation: `optics_structure_annotations.py`](https://www.google.com/search?q=%234-structure-annotation-optics_structure_annotationspy "null") +4. [Understanding Model Choice](#understanding-the-λmax-prediction-models) - - [GUI: `run_optics_gui.py`](https://www.google.com/search?q=%235-using-the-optics-gui "null") +5. [License](#license) -4. [Understanding Model Choice](https://www.google.com/search?q=%23understanding-the-%CE%BBmax-prediction-models "null") +6. [Citation](#citation) -5. [License & Citation](https://www.google.com/search?q=%23license "null") +7. [Contact](#contact) + +8. [Additional Resources](#additional-notesresources) Installation ------------ @@ -69,8 +73,7 @@ Installation 1. **Clone the repository:** ``` - git clone [https://github.com/VisualPhysiologyDB/optics.git](https://github.com/VisualPhysiologyDB/optics.git) - + git clone https://github.com/VisualPhysiologyDB/optics.git ``` 2. **Install dependencies:** [Make sure you are working in the repository directory from here-after] @@ -79,21 +82,18 @@ Installation ``` conda create --name optics_env python=3.11 - ``` ### THEN ``` conda activate optics_env - ``` B. Use the 'requirements.txt' file to download base package dependencies for OPTICS ``` pip install -r requirements.txt - ``` C. **Download MAFFT and BLAST** @@ -104,7 +104,6 @@ Installation ``` conda install bioconda::blast bioconda::mafft - ``` IF working on WINDOWS device: @@ -124,13 +123,15 @@ optics/ │ ├── fasta/ # Alignment files for each model version (e.g., vpod_1.3) │ ├── blast_dbs/ # BLAST databases for sequence identity checks │ ├── aa_property_index/ # AA property values used for feature encoding -│ ├── importance_reports/ # Site translation dictionaries (Feature Name -> True Position) +│ ├── importance_reports/ # Feature importance data & site translation information (Feature Name -> True Position) +│ ├── cached_structures/ # Stores downloaded PDB files (e.g., 1U19.pdb) │ ├── cached_predictions/ # Stores previous predictions (JSON) to speed up runtime -│ └── cached_structures/ # Stores downloaded PDB files (e.g., 1U19.pdb) +| └── cached_blastp_analysis/ # Stores data from previous runs of BLASTp (JSON) to speed up runtime ├── models/ │ ├── reg_models/ # Regression models (XGBoost/GradientBoosting) for point predictions │ └── bs_models/ # Bootstrap model ensembles for confidence intervals ├── optics_scripts/ # Helper modules (utils, blast, bootstrap, maft wrappers, etc.) +├── deepBreaks/ # A key component of the OPTICS pipeline, this folder must stay here └── prediction_outputs/ # Default output directory for all runs ``` @@ -142,7 +143,7 @@ Usage **MAKE SURE YOU HAVE ALL DEPENDENCIES DOWNLOADED AND THAT YOU ARE IN THE FOLDER DIRECTORY FOR OPTICS (or have loaded it as a module) BEFORE RUNNING ANY SCRIPTS!** -### 1\. Prediction (`optics_predictions.py`) +### 1\. λmax Prediction (`optics_predictions.py`) The main script for generating λmax predictions. @@ -175,13 +176,13 @@ BLASTp & Bootstrap Args (Optional): ``` python optics_predictions.py -i ./examples/optics_ex_short.txt -p ex_pred -m wildtype --blastp --bootstrap --visualize_bootstrap - ``` -### 2\. Explanation (`optics_shap.py`) +### 2\. Explaining Model Predictions with SHAP (`optics_shap.py`) -Generates SHAP (SHapley Additive exPlanations) plots to explain *why* a model predicted a specific value, or to attribute the difference between two sequences to specific amino acid sites. +For users interested in the "nitty-gritty" of _why_ sequences have different predicted λmax values, we provide a specialized script that uses *SHAP* (SHapley Additive exPlanations). +This tool generates detailed plots and reports that attribute the difference in prediction to specific features (i.e., amino acid sites and their properties). ``` Required Args: -i, --input: Path to FASTA file (must contain at least 2 sequences for comparison mode). @@ -203,9 +204,11 @@ python optics_shap.py -i ./examples/optics_ex_short.fasta -p shap_analysis --mod ``` -### 3\. Structural Mapping (`optics_structure_map.py`) +### 3\. Mapping SHAP Importance to 3D Structure (`optics_structure_map.py`) + +This script takes the output CSV from the SHAP analysis and maps the importance values onto a 3D protein structure (PDB). -**NEW in v1.3!** This script takes the output CSV from the SHAP analysis and maps the importance values onto a 3D protein structure (PDB). It modifies the B-factor column of the PDB file, allowing you to visualize "importance" as a heat map (Blue=Low, Red=High importance). +It modifies the B-factor column of the PDB file, allowing you to visualize "importance" as a heat map (Blue=Low, Red=High importance). ``` Required Args: @@ -229,9 +232,9 @@ python optics_structure_map.py -s ./examples/shap_output/my_seq_shap_analysis.cs *Output: Generates a `.pdb` file with importance scores in the B-factor column and a `.pml` script to automatically visualize it in PyMOL.* -### 4\. Structure Annotation (`optics_structure_annotations.py`) +### 4\. Generate Custom Structure Annotations (`optics_structure_annotations.py`) -**NEW in v1.3!** A general-purpose tool to visualize arbitrary annotations (e.g., mutation sites, binding pockets) on a structure. It takes a simple CSV and creates a runnable visualization script. +A general-purpose tool to visualize arbitrary annotations (e.g., mutation sites, binding pockets) on a structure. It takes a simple CSV and creates a runnable visualization script. ``` Required Args: @@ -316,4 +319,4 @@ Contact **Todd H. Oakley** - [ORCID](https://orcid.org/0000-0002-4478-915X "null") - oakley@ucsb.edu -**Seth A. Frazer** - [ORCID](https://orcid.org/0000-0002-3800-212X "null") - sethfrazer@ucsb.edu \ No newline at end of file +**Seth A. Frazer** - [ORCID](https://orcid.org/0000-0002-3800-212X "null") - sethfrazer@ucsb.edu From 7d9e9eec9c7041324fb0dcd095ec8e4ab1a35481 Mon Sep 17 00:00:00 2001 From: Seth Frazer <105947657+k-wavy@users.noreply.github.com> Date: Fri, 20 Feb 2026 16:05:26 +0100 Subject: [PATCH 06/16] Refine README content and formatting Updated README for clarity and consistency, including links and formatting improvements. --- README.md | 187 ++++++++++++++++++++++++++++++++++++++++-------------- 1 file changed, 138 insertions(+), 49 deletions(-) diff --git a/README.md b/README.md index 50083f52..ed0b6e7e 100644 --- a/README.md +++ b/README.md @@ -11,9 +11,9 @@ Description - **OPTICS** is an open-source tool that uses machine learning (ML) models to predict Opsin Phenotype (λmax) from unaligned opsin amino-acid sequences. -- **OPTICS** leverages machine learning models trained on genotype-phenotype from the [**Visual Physiology Opsin Database (VPOD)**](https://github.com/VisualPhysiologyDB/visual-physiology-opsin-db). +- **OPTICS** leverages machine learning models trained on opsin genotype-phenotype data from the [**Visual Physiology Opsin Database (VPOD)**](https://github.com/VisualPhysiologyDB/visual-physiology-opsin-db). -- **OPTICS** allows for **structural mapping** of sequence features important to model prediction (using SHAP), translating machine learning insights directly onto 3D protein structures (PDB). +- **OPTICS** allows for **structural mapping** of sequence features important to model prediction (using [SHAP](https://shap.readthedocs.io/en/latest/)), translating machine learning insights directly onto 3D protein structures (PDB). - **OPTICS** can be downloaded and used as a command-line or GUI tool. @@ -36,7 +36,7 @@ Key Features - **Structure Mapping**: Project SHAP importance values onto 3D PDB structures to create "importance heatmaps." -- **Structure Annotation**: Visualize custom annotations on 3D structures using automated PyMOL or ChimeraX scripting. +- **Custom Structure Annotation**: Visualize custom annotations on 3D structures using automated PyMOL or ChimeraX scripting. Table of Contents ----------------- @@ -53,7 +53,7 @@ Table of Contents - [SHAP Structure Mapping: `optics_structure_map.py`](#3-mapping-shap-importance-to-3d-structure-optics_structure_mappy) - - [Annotation: `optics_structure_annotations.py`](#4-generate-custom-structure-annotations-optics_structure_annotationspy) + - [Custom Structure Annotation: `optics_structure_annotations.py`](#4-generate-custom-structure-annotations-optics_structure_annotationspy) - [GUI: `run_optics_gui.py`](#5-using-the-optics-gui) @@ -149,64 +149,124 @@ The main script for generating λmax predictions. ``` Required Args: - -i, --input: Either a single sequence string or a path to a FASTA file. + + -i, --input: Either a single sequence or a path to a FASTA file. General Optional Args: - -o, --output_dir: Desired directory to save output. Default: './prediction_outputs' - -p, --prediction_prefix: Base filename for prediction outputs. - -v, --model_version: Version of models (e.g., vpod_1.3). - -m, --model: Prediction model to use. Default: whole-dataset - -e, --encoding: Encoding method (one_hot, aa_prop). Default: aa_prop - --tolerate_non_standard_aa: Allow sequences with non-standard AAs (X, B, Z) by stripping them. Default: True - --tolerate_incomplete_seqs: Allow sequences outside 250-650aa range. Default: False - --n_jobs: Number of parallel processes. Default: -1 (all CPUs) - -BLASTp & Bootstrap Args (Optional): + + -o, --output_dir: Desired directory to save output folder/files (optional). Default: './prediction_outputs' + + -p, --prediction_prefix: Base filename for prediction outputs. Default: 'unnamed' + + -v, --model_version: Version of models to use (optional). Based on the version of VPOD used to train models. Options/Default: vpod_1.3 (More version coming later) + + -m, --model: Prediction model to use. Options: whole-dataset, wildtype, vertebrate, invertebrate, wildtype-vert, type-one, whole-dataset-mnm, wildtype-mnm, vertebrate-mnm, invertebrate-mnm, wildtype-vert-mnm. **Default: whole-dataset** + + -e, --encoding: Encoding method to use (optional). Options: one_hot, aa_prop. Default: aa_prop + + --tolerate_non_standard_aa: Allows OPTICS to run predictions on sequences with 'non-standard' amino-acids (e.g. - 'X','O','B', etc...)(optional). Default: True + + --tolerate_incomplete_seqs: Allows OPTICS to run predictions on sequences outside the predefined limits of 250-650 amino-acids. (optional) Default: False + NOTE - if you enable this option, then you may have predictions on incomplete sequences, which should be treated as less accurate. + + --n_jobs: Number of parallel processes to run (optional). -1 is the default, utilizing all avaiable processors. + + +BLASTp Analysis Args (optional): + --blastp: Enable BLASTp analysis. - --blastp_report: Filename for BLASTp report. - --refseq: Reference sequence for BLAST (bovine, squid, microbe, custom). - --bootstrap: Enable bootstrap predictions (provides confidence intervals). - --bootstrap_num: Number of replicates (max 100). - --visualize_bootstrap: Generate box-plots for bootstrap results. - --full_spectrum_xaxis: Force x-axis to show 300-650nm range on plots. + + --blastp_report: Filename for BLASTp report. Default: blastp_report.txt + + --refseq: Reference sequence used for blastp analysis. Options: bovine, squid, microbe, custom. Default: bovine + + --custom_ref_file: Path to a custom reference sequence file for BLASTp. Required if --refseq custom is selected. + +Bootstrap Analysis Args (optional): + + --bootstrap: Enable bootstrap predictions. + + --visualize_bootstrap: Enable visualization of bootstrap predictions. + + --bootstrap_num: Number of bootstrap models to load for prediction replicates. Default // Maximum: 100 + + --bootstrap_viz_file: Filename prefix for bootstrap visualization. Default: bootstrap_viz + + --save_viz_as: File type for bootstrap visualizations. Options: svg, png, or pdf Default: svg + + --full_spectrum_xaxis: Enables visualization of predictions on a full spectrum x-axis (300-650nm). Otherwise, x-axis is scaled with predictions. ``` **Example Command:** ``` -python optics_predictions.py -i ./examples/optics_ex_short.txt -p ex_pred -m wildtype --blastp --bootstrap --visualize_bootstrap + python optics_predictions.py -i ./examples/optics_ex_short.txt -o ./examples -p ex_predictions -m whole-dataset -e aa_prop --blastp --blastp_report blastp_report_ex --refseq squid --bootstrap --visualize_bootstrap --bootstrap_viz_file bootstrap_viz --save_viz_as svg ``` +### Output + +- Predictions (TSV): λmax values, model used, and encoding method. +- BLAST Results (TXT, optional): Comparison of query sequences to reference datasets. +- Bootstrap Graphs (PDF, optional): Visualization of bootstrap prediction results. +- Job Log (TXT): Log file containing input command to OPTICS, including encoding method and model used. + + **Note** - All outputs are written into subfolders generated based on your 'prediction-prefix' under your specified output directory, and are marked by time and date. + ### 2\. Explaining Model Predictions with SHAP (`optics_shap.py`) -For users interested in the "nitty-gritty" of _why_ sequences have different predicted λmax values, we provide a specialized script that uses *SHAP* (SHapley Additive exPlanations). +For users interested in the "nitty-gritty" of _why_ sequences have different predicted λmax values, we provide a specialized script that uses *SHAP* ([SHapley Additive exPlanations](https://shap.readthedocs.io/en/latest/)). This tool generates detailed plots and reports that attribute the difference in prediction to specific features (i.e., amino acid sites and their properties). + +![](https://github.com/VisualPhysiologyDB/optics/blob/main/examples/optics_shap_on_short_ex_test_aa_prop_2026-01-09_02-28-40/Bombus_impatiens_424_individual_shap.svg?raw=true) + +_Example SHAP plot for explaining individual predictions of opsin λmax by OPTICS_ + +![](https://github.com/VisualPhysiologyDB/optics/blob/main/examples/optics_shap_on_short_ex_test_aa_prop_2026-01-09_02-28-40/Bombus_impatiens_424_vs_Bombus_impatiens_347_viz.svg?raw=true) + +_Example SHAP comparison plot for explaining pair-wise differences in predictions of opsin λmax by OPTICS_ + +This script requires a **FASTA file** +- File must contain at least **two or more sequences** if you are running a SHAP comparison. +- Only a single sequence is needed for an individual SHAP explanation + ``` Required Args: -i, --input: Path to FASTA file (must contain at least 2 sequences for comparison mode). Optional Args: - -o, --output_dir: Directory to save results. - --mode: 'single' (explain one seq), 'comparison' (explain difference between two), or 'both'. - --n_positions: Number of top features to show on the graph. Default: 10. - --use_reference_sites: If set, plots use Reference Numbering (e.g., Bovine Rhodopsin sites) instead of alignment feature names. - --save_viz_as: File format (svg, png, pdf). + -o, --output_dir: Directory to save the SHAP analysis output folder. + + -p, --prediction_prefix: Base filename for the SHAP plot and data files. + + --mode: Analysis mode - 'single' (generate SHAP explanation for any number of individual sequences), 'comparison' (generate SHAP explanation for pairwise predictionn difference between any number of sequences), or 'both'. Default: 'both' + -m, --model: Prediction model to use. + -v, --model_version: Version of models to use (optional). Based on the version of VPOD used to train models. Options/Default: vpod_1.3 (More version coming later) + + -e, --encoding: Encoding method to use. + + --n_positions: Number of positions to show on SHAP explanation graphs. Default: 10 (to limit noisiness) + + --save_viz_as: File type for the SHAP visualization (svg, png, or pdf). Default: svg + + --use_reference_sites : Enable to use reference site numbering (i.e. - Bovine or Squid Rhodopsin), instead of feature names. + + --n_jobs: Number of parallel processes to run (optional). -1 is the default, utilizing all avaiable processors., + ``` **Example Command:** ``` -python optics_shap.py -i ./examples/optics_ex_short.fasta -p shap_analysis --mode comparison --use_reference_sites - +python optics_shap.py -i ./examples/optics_ex_short.fasta -o ./examples -p short_ex_test_aa_prop --mode both --use_reference_sites ``` ### 3\. Mapping SHAP Importance to 3D Structure (`optics_structure_map.py`) -This script takes the output CSV from the SHAP analysis and maps the importance values onto a 3D protein structure (PDB). +This script takes the output CSVs from the SHAP analysis script and maps the importance values onto a 3D protein structure (PDB). It modifies the B-factor column of the PDB file, allowing you to visualize "importance" as a heat map (Blue=Low, Red=High importance). @@ -215,10 +275,14 @@ Required Args: -s, --shap_csv: Path to the SHAP analysis CSV file generated by optics_shap.py. Optional Args: - -p, --pdb_file: Path to a local PDB file OR a 4-letter PDB ID (e.g., 1U19). Default: 1U19 (Bovine Rhodopsin). + -p, --pdb_file: Path to a local PDB file OR a 4-letter PDB ID (e.g., 1U19) to retrieve. Default: 1U19 (Bovine Rhodopsin). + -o, --output_dir: Output directory. + --chain: Chain ID to map to. Default: A. + --use_query_position: Check this if your CSV uses target sequence numbering rather than reference numbering. + --map_bovine_also: If using a custom PDB, this flag forces a second output mapped to Bovine Rhodopsin (1U19) for comparison. ``` @@ -226,8 +290,7 @@ Optional Args: **Example Command:** ``` -python optics_structure_map.py -s ./examples/shap_output/my_seq_shap_analysis.csv -p 1U19 --map_bovine_also - +python optics_structure_map.py -s ./examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/U57536_shap_analysis.csv -p ./examples/U57536_ex_struct.pdb --map_bovine_also ``` *Output: Generates a `.pdb` file with importance scores in the B-factor column and a `.pml` script to automatically visualize it in PyMOL.* @@ -242,16 +305,19 @@ Required Args: Optional Args: -p, --pdb: PDB ID or path. Default: 1U19. + + -o, --output_dir. Default: '.' + --software: Target visualization software ('pymol' or 'chimerax'). Default: chimerax. - --chain: Chain identifier. + + --chain: Chain identifier. Default: 'A' ``` **Example Command:** ``` -python optics_structure_annotations.py -a ./examples/mutations.csv -p 1U19 --software pymol - +python optics_structure_annotations.py -a ./examples/optics_custom_annotations_ex.csv -p 1U19 --software chimerax ``` ### 5\. Using the OPTICS GUI @@ -300,23 +366,46 @@ Models ending in **-mnm** (e.g., `wildtype-mnm`) are trained on augmented datase - **-mnm models**: Trained on heterologous data *plus* data inferred via our **"Mine-n-Match"** procedure (in-vivo correlations). See [Frazer et al. 2025](https://doi.org/10.1101/2025.08.22.671864 "null") for details. -License -------- +--- +## License +All data and code is covered under a GNU General Public License (GPL)(Version 3), in accordance with Open Source Initiative (OSI)-policies + +## Citation + +- **IF citing this GitHub and its contents use the following DOI provided by Zenodo...** + + 10.5281/zenodo.10667840 + +- **IF you use OPTICS in your research, please cite the following paper(s):** + + - Our more recent publication directly on the making/utility of OPTICS. -All data and code is covered under a GNU General Public License (GPL)(Version 3). + Seth A. Frazer, Todd H. Oakley. Accessible and Robust Machine Learning Approaches to Improve the Opsin Genotype-Phenotype Map. bioRxiv, 2025.08.22.671864. https://doi.org/10.1101/2025.08.22.671864 + + - Our original paper on the development of VPOD; the opsin genotype-phenotype database backbone for training the ML models used in OPTICS. -Citation --------- + Seth A. Frazer, Mahdi Baghbanzadeh, Ali Rahnavard, Keith A. Crandall, & Todd H Oakley. Discovering genotype-phenotype relationships with machine learning and the Visual Physiology Opsin Database (VPOD). GigaScience, 2024.09.01. https://doi.org/10.1093/gigascience/giae073 -- **Code/Repository:** 10.5281/zenodo.10667840 +## Contact +Contact information for author questions or feedback. -- **OPTICS Publication (Methodology & Tools):** Seth A. Frazer, Todd H. Oakley. Accessible and Robust Machine Learning Approaches to Improve the Opsin Genotype-Phenotype Map. bioRxiv, 2025.08.22.671864. https://doi.org/10.1101/2025.08.22.671864 + **Todd H. Oakley** - [ORCID ID](https://orcid.org/0000-0002-4478-915X) + + oakley@ucsb.edu + +**Seth A. Frazer** - [ORCID ID](https://orcid.org/0000-0002-3800-212X) -- **VPOD Publication (Database & Training Data):** Seth A. Frazer, Mahdi Baghbanzadeh, Ali Rahnavard, Keith A. Crandall, & Todd H Oakley. Discovering genotype-phenotype relationships with machine learning and the Visual Physiology Opsin Database (VPOD). GigaScience, 2024.09.01. https://doi.org/10.1093/gigascience/giae073 + sethfrazer@ucsb.edu + +--- +## Additional Notes/Resources -Contact -------- +- Want to use OPTICS without the hassle of the setup? -> [CLICK HERE](http://galaxy-dev.cnsi.ucsb.edu:8080/?tool_id=optics_1&version=latest) to visit our Galaxy Project server and use our tool! -**Todd H. Oakley** - [ORCID](https://orcid.org/0000-0002-4478-915X "null") - oakley@ucsb.edu +- *OPTICS v1.3 uses VPOD_v1.3 for training.* -**Seth A. Frazer** - [ORCID](https://orcid.org/0000-0002-3800-212X "null") - sethfrazer@ucsb.edu +- **[Here](https://tinyurl.com/u7hn9adm)** is a link to a bibliography of the publications used to build VPOD_v1.2 (VPOD_v1.3 version not yet released) + +- If you know of publications for training opsin ML models not included in the VPOD_v1.2 database, please send them to us through **[this form](https://tinyurl.com/29afaxyr)** + +- Check out the **[VPOD GitHub](https://github.com/VisualPhysiologyDB/visual-physiology-opsin-db)** repository to learn more about our database and ML models! From 24aa1aed8b30f7ed9193bafd99540e1b7b0acf24 Mon Sep 17 00:00:00 2001 From: Seth Frazer <105947657+k-wavy@users.noreply.github.com> Date: Fri, 20 Feb 2026 18:09:54 +0100 Subject: [PATCH 07/16] Update README with input/output details for scripts Add input and output sections for various scripts in README. --- README.md | 46 ++++++++++++++++++++++++++++++++++++++++------ 1 file changed, 40 insertions(+), 6 deletions(-) diff --git a/README.md b/README.md index ed0b6e7e..c0270456 100644 --- a/README.md +++ b/README.md @@ -112,6 +112,8 @@ Installation - You DO NOT need to download MAFFT; OPTICS includes a Windows-compatible version in the `optics_scripts/mafft` folder that it will try to use automatically. +--- + Data File Structure ------------------- @@ -204,14 +206,28 @@ Bootstrap Analysis Args (optional): python optics_predictions.py -i ./examples/optics_ex_short.txt -o ./examples -p ex_predictions -m whole-dataset -e aa_prop --blastp --blastp_report blastp_report_ex --refseq squid --bootstrap --visualize_bootstrap --bootstrap_viz_file bootstrap_viz --save_viz_as svg ``` +### Input + +- **Unaligned** FASTA file containing opsin amino-acid sequences. +- Example FASTA Entry: + ``` + >NP_001014890.1_rhodopsin_Bos_taurus + MNGTEGPNFYVPFSNKTGVVRSPFEAPQYYLAEPWQFSMLAAYMFLLIMLGFPINFLTLYVTVQHKKLRT + PLNYILLNLAVADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVC + KPMSNFRFGENHAIMGVAFTWVMALACAAPPLVGWSRYIPEGMQCSCGIDYYTPHEETNNESFVIYMFVV + HFIIPLIVIFFCYGQLVFTVKEAAAQQQESATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQG + SDFGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTTLCCGKNPLGDDEASTTVSKTETSQVAPA   + ``` + ### Output -- Predictions (TSV): λmax values, model used, and encoding method. +- Predictions (TSV, Excel): λmax values, BLASTp information, hex-codes (colors) corresponding to predicted λmax. - BLAST Results (TXT, optional): Comparison of query sequences to reference datasets. - Bootstrap Graphs (PDF, optional): Visualization of bootstrap prediction results. - Job Log (TXT): Log file containing input command to OPTICS, including encoding method and model used. +- iTol & FigTree Annotation Files (TXT): Annotations for visualizing the λmax of opsins, with the hex-codes (colors) corresponding to predicted λmax. - **Note** - All outputs are written into subfolders generated based on your 'prediction-prefix' under your specified output directory, and are marked by time and date. + _**Note** - All outputs are written into subfolders generated based on your 'prediction-prefix' under your specified output directory, and are marked by time and date._ ### 2\. Explaining Model Predictions with SHAP (`optics_shap.py`) @@ -264,6 +280,16 @@ Optional Args: python optics_shap.py -i ./examples/optics_ex_short.fasta -o ./examples -p short_ex_test_aa_prop --mode both --use_reference_sites ``` +### Output + +- Predictions (TSV): Single (non-bootstrapped) λmax values +- SHAP Explanation Data (CSV): SHAP data for individual sequence explanations and/or pairwise SHAP comparisons for all sequences. +- SHAP Graphs (SVG): Visualizations for individual sequence SHAP explanations and/or pairwise SHAP comparisons for all sequences. +- Difference Matrix (CSV & Excel): An all-to-all λmax difference matrix for query sequences. The Excel version has a built in 'heat-map'. +- Job Log (TXT): Log file containing input command to OPTICS, including encoding method and model used. + +_**WARNING** - Be cautious if you choose the 'comparison' or 'both' mode for SHAP with many sequences. Too many sequence can end up generating hundreds-to-thousands of comparison files (raw data and visualizations)._ + ### 3\. Mapping SHAP Importance to 3D Structure (`optics_structure_map.py`) This script takes the output CSVs from the SHAP analysis script and maps the importance values onto a 3D protein structure (PDB). @@ -293,7 +319,9 @@ Optional Args: python optics_structure_map.py -s ./examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/U57536_shap_analysis.csv -p ./examples/U57536_ex_struct.pdb --map_bovine_also ``` -*Output: Generates a `.pdb` file with importance scores in the B-factor column and a `.pml` script to automatically visualize it in PyMOL.* +### Output + +- SHAP Annotated Structure File (PDB): Generates a `.pdb` file with importance scores in the B-factor column and a `.pml` script to automatically visualize it in PyMOL.* ### 4\. Generate Custom Structure Annotations (`optics_structure_annotations.py`) @@ -320,15 +348,19 @@ Optional Args: python optics_structure_annotations.py -a ./examples/optics_custom_annotations_ex.csv -p 1U19 --software chimerax ``` +### Output + +- Custom Annotation Script (ChimeraX or PyMol): Generates a ChimeraX or PyMol specific visualization script. Typically you can just open these if your protein structure of interest is in the same folder. + ### 5\. Using the OPTICS GUI -OPTICS includes a graphical interface for users who prefer not to use the command line. +That's right! No-need for command line, OPTICS can also be used as a GUI! +The usage is quite simple, just use the command below (with your OPTICS conda enviornment activated) and get to predicting. ;) **To run the GUI:** ``` python run_optics_gui.py - ``` ex optics gui @@ -343,6 +375,8 @@ The GUI provides tabs/buttons for all four major pipelines: 4. **Structure Annotations**: Visualize custom data on structures. +--- + Understanding the λmax Prediction Models ---------------------------------------- @@ -365,7 +399,7 @@ Models ending in **-mnm** (e.g., `wildtype-mnm`) are trained on augmented datase - **Standard models**: Trained *exclusively* on heterologous expression data (in-vitro). - **-mnm models**: Trained on heterologous data *plus* data inferred via our **"Mine-n-Match"** procedure (in-vivo correlations). See [Frazer et al. 2025](https://doi.org/10.1101/2025.08.22.671864 "null") for details. - + - _**Note** - These models should be treated as secondary to heterolgous models for now. The heterolgous models are the 'gold-standard' and MNM models are the 'silver-standard'. Still useful, but not equal._ --- ## License All data and code is covered under a GNU General Public License (GPL)(Version 3), in accordance with Open Source Initiative (OSI)-policies From 5a44f41e2236bbe611d9f8aa58ae5a62d16ca723 Mon Sep 17 00:00:00 2001 From: k-wavy <105947657+k-wavy@users.noreply.github.com> Date: Fri, 20 Feb 2026 18:10:20 +0100 Subject: [PATCH 08/16] Update optics_structure_annotations.py --- optics_structure_annotations.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/optics_structure_annotations.py b/optics_structure_annotations.py index 3a1e1ae2..0cdbece0 100644 --- a/optics_structure_annotations.py +++ b/optics_structure_annotations.py @@ -166,7 +166,7 @@ def run_structure_annotation(annotation_file, pdb_input="1U19", output_dir=None, parser = argparse.ArgumentParser(description="Visualize arbitrary annotations on a protein structure.") parser.add_argument("-a", "--annotation_file", required=True, help="CSV/TSV file.") parser.add_argument("-p", "--pdb", default="1U19", help="PDB ID or path.") - parser.add_argument("-o", "--output_dir", default=None, help="Output directory.") + parser.add_argument("-o", "--output_dir", default='.', help="Output directory.") parser.add_argument("--chain", default="A", help="Chain identifier.") parser.add_argument("--software", default="chimerax", choices=['pymol', 'chimerax'], help="Target software.") From 99668dc81ba2f9589b22aee57e786b5c51967490 Mon Sep 17 00:00:00 2001 From: Seth Frazer <105947657+k-wavy@users.noreply.github.com> Date: Wed, 25 Feb 2026 10:40:53 +0100 Subject: [PATCH 09/16] Update MAFFT installation instructions in README Clarified instructions for MAFFT installation on Windows. --- README.md | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index c0270456..f12cfaa8 100644 --- a/README.md +++ b/README.md @@ -110,7 +110,8 @@ Installation - Manually install the Windows compatible [BLAST](https://blast.ncbi.nlm.nih.gov/doc/blast-help/downloadblastdata.html#downloadblastdata "null") executable on your system PATH. - - You DO NOT need to download MAFFT; OPTICS includes a Windows-compatible version in the `optics_scripts/mafft` folder that it will try to use automatically. + - DO NOT need to download MAFFT; OPTICS includes a Windows-compatible version in the `optics_scripts/mafft` folder that it will try to use automatically. + - You can download your own version of MAFFT but it must be executable on your system path. --- From 5806591d0dde2cdd1f18244d21adef8abbfba985 Mon Sep 17 00:00:00 2001 From: Seth Frazer <105947657+k-wavy@users.noreply.github.com> Date: Wed, 25 Feb 2026 15:22:28 +0100 Subject: [PATCH 10/16] Add initial HTML structure for OPTICS website --- data/website/index.html | 386 ++++++++++++++++++++++++++++++++++++++++ 1 file changed, 386 insertions(+) create mode 100644 data/website/index.html diff --git a/data/website/index.html b/data/website/index.html new file mode 100644 index 00000000..7c880543 --- /dev/null +++ b/data/website/index.html @@ -0,0 +1,386 @@ + + + + + + OPTICS: Opsin Phenotype Tool for Inference of Color Sensitivity + + + + + + + + + + + + +
+
+ +
+
+
+ +
+

+ Decode the Genotype-Phenotype Map +

+

+ Predict Opsin Phenotype (λmax) directly from unaligned amino-acid sequences using machine learning models trained on the Visual Physiology Opsin Database (VPOD). +

+
+ + Get Started locally + + + Use on Galaxy Server + +
+
+
+ + +
+
+
+

Powerful Analytical Capabilities

+

OPTICS goes beyond basic prediction, offering deep insights into the structural and feature-level drivers of color sensitivity.

+
+ +
+ +
+
+ +
+

λmax Prediction

+

Predict the peak light absorption wavelength (λmax) from unaligned sequences with confidence intervals using bootstrap ensembles.

+
+ + +
+
+ +
+

SHAP Explanations

+

Interpret predictions using SHAP values. Identify exactly which amino acid sites and properties drive specific λmax shifts.

+
+ + +
+
+ +
+

3D Structure Mapping

+

Project SHAP importance values directly onto 3D PDB structures (like Bovine Rhodopsin) to create localized visual importance heatmaps.

+
+ + +
+
+ +
+

Multiple ML Models

+

Choose from specialized models trained on specific taxonomic subsets (vertebrate, invertebrate) or augmented "Mine-n-Match" datasets.

+
+ + +
+
+ +
+

Integrated BLASTp

+

Automatically compare your query sequences against curated reference datasets (Bovine, Squid, Microbe) natively within the pipeline.

+
+ + +
+
+ +
+

Interactive GUI

+

Not a fan of the command line? Use `run_optics_gui.py` for a sleek, dark-mode accessible graphical interface for all tools.

+
+
+
+
+ + +
+
+

Installation

+ +
+
+
+
+
+
+
+ terminal +
+
+ + 
+# 1. Clone the repository
+git clone https://github.com/VisualPhysiologyDB/optics.git
+cd optics
+
+# 2. Create and activate a Conda environment
+conda create --name optics_env python=3.11
+conda activate optics_env
+
+# 3. Install Python dependencies
+pip install -r requirements.txt
+
+
+ +
+ +
+

External Dependencies Required

+

OPTICS requires BLAST and MAFFT to align and compare sequences.

+
+ # For Mac / Linux: + conda install bioconda::blast bioconda::mafft +
+

Windows users: MAFFT is bundled with OPTICS, but you must manually install the BLAST executable and add it to your PATH.

+
+
+
+
+ + +
+
+

How to Use OPTICS

+ +
+ +
+

+ 1. Standard Predictions +

+

Run the main λmax prediction workflow on a FASTA file containing unaligned sequences.

+
+ + python optics_predictions.py -i ./examples/optics_ex_short.txt -o ./outputs -p my_results -m whole-dataset --blastp --bootstrap +
+
+ + +
+

+ 2. SHAP Explanations +

+

Determine exactly why sequences have different predicted λmax values using SHAP feature attribution.

+
+ + python optics_shap.py -i ./examples/optics_ex_short.fasta -o ./outputs -p shap_test --mode both --use_reference_sites +
+
+ + +
+

+ 3. 3D Structure Mapping +

+

Map your SHAP importance outputs onto a 3D PDB structure (creates an annotated PDB with modified B-factors and a PyMOL script).

+
+ + python optics_structure_map.py -s ./outputs/seq_shap_analysis.csv -p 1U19 --map_bovine_also +
+
+ +
+ +
+ OR +
+
+ + +
+
+ +
+

Launch the Graphical Interface

+

Skip the command line entirely. The built-in GUI provides access to all four analytical pipelines in an intuitive, dark-mode ready window.

+
+ + python run_optics_gui.py +
+
+ +
+
+
+ + +
+
+

Citation & Credits

+ +
+
+

If you use OPTICS in your research, please cite:

+

+ Seth A. Frazer, Todd H. Oakley. Accessible and Robust Machine Learning Approaches to Improve the Opsin Genotype-Phenotype Map. bioRxiv, 2025.08.22.671864.
+ https://doi.org/10.1101/2025.08.22.671864 +

+
+ +
+

Original VPOD Development:

+

+ Seth A. Frazer, Mahdi Baghbanzadeh, Ali Rahnavard, Keith A. Crandall, & Todd H Oakley. Discovering genotype-phenotype relationships with machine learning and the Visual Physiology Opsin Database (VPOD). GigaScience, 2024.09.01.
+ https://doi.org/10.1093/gigascience/giae073 +

+
+ +
+ + DOI + + + License: GPL v3 + +
+
+
+
+ + + + + + + + From 91f19a3d38187ad5780dc85dc0b1f456df87d448 Mon Sep 17 00:00:00 2001 From: Seth Frazer <105947657+k-wavy@users.noreply.github.com> Date: Wed, 25 Feb 2026 15:27:30 +0100 Subject: [PATCH 11/16] Add files via upload --- index.html | 386 +++++++++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 386 insertions(+) create mode 100644 index.html diff --git a/index.html b/index.html new file mode 100644 index 00000000..7c880543 --- /dev/null +++ b/index.html @@ -0,0 +1,386 @@ + + + + + + OPTICS: Opsin Phenotype Tool for Inference of Color Sensitivity + + + + + + + + + + + + +
+
+ +
+
+
+ +
+

+ Decode the Genotype-Phenotype Map +

+

+ Predict Opsin Phenotype (λmax) directly from unaligned amino-acid sequences using machine learning models trained on the Visual Physiology Opsin Database (VPOD). +

+
+ + Get Started locally + + + Use on Galaxy Server + +
+
+
+ + +
+
+
+

Powerful Analytical Capabilities

+

OPTICS goes beyond basic prediction, offering deep insights into the structural and feature-level drivers of color sensitivity.

+
+ +
+ +
+
+ +
+

λmax Prediction

+

Predict the peak light absorption wavelength (λmax) from unaligned sequences with confidence intervals using bootstrap ensembles.

+
+ + +
+
+ +
+

SHAP Explanations

+

Interpret predictions using SHAP values. Identify exactly which amino acid sites and properties drive specific λmax shifts.

+
+ + +
+
+ +
+

3D Structure Mapping

+

Project SHAP importance values directly onto 3D PDB structures (like Bovine Rhodopsin) to create localized visual importance heatmaps.

+
+ + +
+
+ +
+

Multiple ML Models

+

Choose from specialized models trained on specific taxonomic subsets (vertebrate, invertebrate) or augmented "Mine-n-Match" datasets.

+
+ + +
+
+ +
+

Integrated BLASTp

+

Automatically compare your query sequences against curated reference datasets (Bovine, Squid, Microbe) natively within the pipeline.

+
+ + +
+
+ +
+

Interactive GUI

+

Not a fan of the command line? Use `run_optics_gui.py` for a sleek, dark-mode accessible graphical interface for all tools.

+
+
+
+
+ + +
+
+

Installation

+ +
+
+
+
+
+
+
+ terminal +
+
+ + 
+# 1. Clone the repository
+git clone https://github.com/VisualPhysiologyDB/optics.git
+cd optics
+
+# 2. Create and activate a Conda environment
+conda create --name optics_env python=3.11
+conda activate optics_env
+
+# 3. Install Python dependencies
+pip install -r requirements.txt
+
+
+ +
+ +
+

External Dependencies Required

+

OPTICS requires BLAST and MAFFT to align and compare sequences.

+
+ # For Mac / Linux: + conda install bioconda::blast bioconda::mafft +
+

Windows users: MAFFT is bundled with OPTICS, but you must manually install the BLAST executable and add it to your PATH.

+
+
+
+
+ + +
+
+

How to Use OPTICS

+ +
+ +
+

+ 1. Standard Predictions +

+

Run the main λmax prediction workflow on a FASTA file containing unaligned sequences.

+
+ + python optics_predictions.py -i ./examples/optics_ex_short.txt -o ./outputs -p my_results -m whole-dataset --blastp --bootstrap +
+
+ + +
+

+ 2. SHAP Explanations +

+

Determine exactly why sequences have different predicted λmax values using SHAP feature attribution.

+
+ + python optics_shap.py -i ./examples/optics_ex_short.fasta -o ./outputs -p shap_test --mode both --use_reference_sites +
+
+ + +
+

+ 3. 3D Structure Mapping +

+

Map your SHAP importance outputs onto a 3D PDB structure (creates an annotated PDB with modified B-factors and a PyMOL script).

+
+ + python optics_structure_map.py -s ./outputs/seq_shap_analysis.csv -p 1U19 --map_bovine_also +
+
+ +
+ +
+ OR +
+
+ + +
+
+ +
+

Launch the Graphical Interface

+

Skip the command line entirely. The built-in GUI provides access to all four analytical pipelines in an intuitive, dark-mode ready window.

+
+ + python run_optics_gui.py +
+
+ +
+
+
+ + +
+
+

Citation & Credits

+ +
+
+

If you use OPTICS in your research, please cite:

+

+ Seth A. Frazer, Todd H. Oakley. Accessible and Robust Machine Learning Approaches to Improve the Opsin Genotype-Phenotype Map. bioRxiv, 2025.08.22.671864.
+ https://doi.org/10.1101/2025.08.22.671864 +

+
+ +
+

Original VPOD Development:

+

+ Seth A. Frazer, Mahdi Baghbanzadeh, Ali Rahnavard, Keith A. Crandall, & Todd H Oakley. Discovering genotype-phenotype relationships with machine learning and the Visual Physiology Opsin Database (VPOD). GigaScience, 2024.09.01.
+ https://doi.org/10.1093/gigascience/giae073 +

+
+ +
+ + DOI + + + License: GPL v3 + +
+
+
+
+ + + + + + + + From cc1e883f1c75f4f45166ab54c860b04851bc3824 Mon Sep 17 00:00:00 2001 From: Seth Frazer <105947657+k-wavy@users.noreply.github.com> Date: Wed, 25 Feb 2026 18:05:11 +0100 Subject: [PATCH 12/16] Delete index.html --- index.html | 386 ----------------------------------------------------- 1 file changed, 386 deletions(-) delete mode 100644 index.html diff --git a/index.html b/index.html deleted file mode 100644 index 7c880543..00000000 --- a/index.html +++ /dev/null @@ -1,386 +0,0 @@ - - - - - - OPTICS: Opsin Phenotype Tool for Inference of Color Sensitivity - - - - - - - - - - - - -
-
- -
-
-
- -
-

- Decode the Genotype-Phenotype Map -

-

- Predict Opsin Phenotype (λmax) directly from unaligned amino-acid sequences using machine learning models trained on the Visual Physiology Opsin Database (VPOD). -

-
- - Get Started locally - - - Use on Galaxy Server - -
-
-
- - -
-
-
-

Powerful Analytical Capabilities

-

OPTICS goes beyond basic prediction, offering deep insights into the structural and feature-level drivers of color sensitivity.

-
- -
- -
-
- -
-

λmax Prediction

-

Predict the peak light absorption wavelength (λmax) from unaligned sequences with confidence intervals using bootstrap ensembles.

-
- - -
-
- -
-

SHAP Explanations

-

Interpret predictions using SHAP values. Identify exactly which amino acid sites and properties drive specific λmax shifts.

-
- - -
-
- -
-

3D Structure Mapping

-

Project SHAP importance values directly onto 3D PDB structures (like Bovine Rhodopsin) to create localized visual importance heatmaps.

-
- - -
-
- -
-

Multiple ML Models

-

Choose from specialized models trained on specific taxonomic subsets (vertebrate, invertebrate) or augmented "Mine-n-Match" datasets.

-
- - -
-
- -
-

Integrated BLASTp

-

Automatically compare your query sequences against curated reference datasets (Bovine, Squid, Microbe) natively within the pipeline.

-
- - -
-
- -
-

Interactive GUI

-

Not a fan of the command line? Use `run_optics_gui.py` for a sleek, dark-mode accessible graphical interface for all tools.

-
-
-
-
- - -
-
-

Installation

- -
-
-
-
-
-
-
- terminal -
-
- - 
-# 1. Clone the repository
-git clone https://github.com/VisualPhysiologyDB/optics.git
-cd optics
-
-# 2. Create and activate a Conda environment
-conda create --name optics_env python=3.11
-conda activate optics_env
-
-# 3. Install Python dependencies
-pip install -r requirements.txt
-
-
- -
- -
-

External Dependencies Required

-

OPTICS requires BLAST and MAFFT to align and compare sequences.

-
- # For Mac / Linux: - conda install bioconda::blast bioconda::mafft -
-

Windows users: MAFFT is bundled with OPTICS, but you must manually install the BLAST executable and add it to your PATH.

-
-
-
-
- - -
-
-

How to Use OPTICS

- -
- -
-

- 1. Standard Predictions -

-

Run the main λmax prediction workflow on a FASTA file containing unaligned sequences.

-
- - python optics_predictions.py -i ./examples/optics_ex_short.txt -o ./outputs -p my_results -m whole-dataset --blastp --bootstrap -
-
- - -
-

- 2. SHAP Explanations -

-

Determine exactly why sequences have different predicted λmax values using SHAP feature attribution.

-
- - python optics_shap.py -i ./examples/optics_ex_short.fasta -o ./outputs -p shap_test --mode both --use_reference_sites -
-
- - -
-

- 3. 3D Structure Mapping -

-

Map your SHAP importance outputs onto a 3D PDB structure (creates an annotated PDB with modified B-factors and a PyMOL script).

-
- - python optics_structure_map.py -s ./outputs/seq_shap_analysis.csv -p 1U19 --map_bovine_also -
-
- -
- -
- OR -
-
- - -
-
- -
-

Launch the Graphical Interface

-

Skip the command line entirely. The built-in GUI provides access to all four analytical pipelines in an intuitive, dark-mode ready window.

-
- - python run_optics_gui.py -
-
- -
-
-
- - -
-
-

Citation & Credits

- -
-
-

If you use OPTICS in your research, please cite:

-

- Seth A. Frazer, Todd H. Oakley. Accessible and Robust Machine Learning Approaches to Improve the Opsin Genotype-Phenotype Map. bioRxiv, 2025.08.22.671864.
- https://doi.org/10.1101/2025.08.22.671864 -

-
- -
-

Original VPOD Development:

-

- Seth A. Frazer, Mahdi Baghbanzadeh, Ali Rahnavard, Keith A. Crandall, & Todd H Oakley. Discovering genotype-phenotype relationships with machine learning and the Visual Physiology Opsin Database (VPOD). GigaScience, 2024.09.01.
- https://doi.org/10.1093/gigascience/giae073 -

-
- -
- - DOI - - - License: GPL v3 - -
-
-
-
- - - - - - - - From 747233a2346c00befb483361291758623113eef7 Mon Sep 17 00:00:00 2001 From: Seth Frazer <105947657+k-wavy@users.noreply.github.com> Date: Fri, 6 Mar 2026 12:14:12 +0100 Subject: [PATCH 13/16] Update README with additional note on OPTICS Added a note about a simpler version of the intro to OPTICS. --- README.md | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index f12cfaa8..64319c90 100644 --- a/README.md +++ b/README.md @@ -1,6 +1,7 @@ **Code**: [![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0) **Data**: [![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0) **VPOD_v1.2 DOI**: [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.12213246.svg)](https://doi.org/10.5281/zenodo.12213246) -# Opsin Phenotype Tool for Inference of Color Sensitivity (OPTICS) [v1.3] +# Opsin Phenotype Tool for Inference of Color Sensitivity (OPTICS) [v1.3] - +*_Note_* - A simpler version of an intro to OPTICS is also available on our organization github.io page -> [here](https://visualphysiologydb.github.io/optics.html) ![](https://github.com/VisualPhysiologyDB/optics/blob/main/data/logo/optics_bs_fig_ex.svg?raw=true) From 0cd25e21de10c161e802a0f9e5ccd6ac21f6dea9 Mon Sep 17 00:00:00 2001 From: k-wavy <105947657+k-wavy@users.noreply.github.com> Date: Tue, 10 Mar 2026 15:45:09 +0100 Subject: [PATCH 14/16] SHAP Structure map touch-ups added ability to map the comparison shap values onto two structures simultaneously + 'prettified' the output chimerax script --- README - Copy.md | 292 -- README.md | 28 +- examples/U57536_ex_struct.pdb | 2770 ------------ examples/{ => custom_annotation_ex}/1U19.pdb | 0 .../optics_custom_annotations_ex.csv | 0 ...visualize_optics_custom_annotations_ex.pml | 0 ..._optics_custom_annotations_ex_chimerax.cxc | 0 .../C_phantasticus_LWS1_esmfold.pdb | 2862 ++++++++++++ .../C_phantasticus_LWS2_esmfold.pdb | 2810 ++++++++++++ .../structural_validation_results.csv | 3 + .../arg_log.txt | 17 + .../blastp_report.csv | 3 + .../bootstrap_viz_part1.svg | 1667 +++++++ .../fig_tree_color_annotation.txt | 3 + .../fish_paralog_test_predictions.tsv | 3 + ...sh_paralog_test_predictions_for_excel.xlsx | Bin 0 -> 5191 bytes .../itol_color_annotation.txt | 5 + .../U57536_shap_analysis.csv | 1127 ----- .../U57536_structure_heatmap.pdb | 2770 ------------ .../ex_structure_viz_in_chimeraX.png | Bin 102111 -> 0 bytes .../optics_structure_map_ex_predictions.csv | 2 - .../visualize_U57536.pml | 7 - .../visualize_U57536_1U19_ref.pml | 7 - .../1U19_ref_shap_comparison_mapped.pdb} | 3964 ++++++++--------- ...S1_esmfold_shap_comparison_mapped_seq1.pdb | 2862 ++++++++++++ ..._phantasticus_LWS1_esmfold_shap_mapped.pdb | 2862 ++++++++++++ .../C_phantasticus_LWS1_individual_shap.svg} | 1837 ++++---- .../C_phantasticus_LWS1_shap_analysis.csv | 833 ++++ ..._LWS1_vs_C_phantasticus_LWS2_shap_data.csv | 179 + ...sticus_LWS1_vs_C_phantasticus_LWS2_viz.svg | 2472 ++++++++++ ...S2_esmfold_shap_comparison_mapped_seq2.pdb | 2810 ++++++++++++ ..._phantasticus_LWS2_esmfold_shap_mapped.pdb | 2810 ++++++++++++ .../C_phantasticus_LWS2_individual_shap.svg | 2195 +++++++++ .../C_phantasticus_LWS2_shap_analysis.csv | 833 ++++ .../ex_movie.mp4 | Bin 0 -> 12838607 bytes .../ex_screenshot.png | Bin 0 -> 516092 bytes .../shap_comparison_map_viz_1U19_ref.cxc | 41 + ...p_viz_C_phantasticus_LWS1_esmfold_seq1.cxc | 41 + ...p_viz_C_phantasticus_LWS2_esmfold_seq2.cxc | 41 + ...ap_map_viz_C_phantasticus_LWS1_esmfold.cxc | 41 + ...ap_map_viz_C_phantasticus_LWS2_esmfold.cxc | 41 + .../shap_script_log.txt | 0 ...p_comparison_ex_prediction_diff_matrix.csv | 3 + .../struct_map_comparison_ex_predictions.csv | 3 + examples/optics_struct_ex.txt | 2 - examples/optics_structure_map_ex.fasta | 4 + optics_shap.py | 28 +- optics_structure_map.py | 217 +- run_optics_gui.py | 93 +- run_optics_gui_old_v9.py | 808 ---- 50 files changed, 28619 insertions(+), 10777 deletions(-) delete mode 100644 README - Copy.md delete mode 100644 examples/U57536_ex_struct.pdb rename examples/{ => custom_annotation_ex}/1U19.pdb (100%) rename examples/{ => custom_annotation_ex}/optics_custom_annotations_ex.csv (100%) rename examples/{ => custom_annotation_ex}/visualize_optics_custom_annotations_ex.pml (100%) rename examples/{ => custom_annotation_ex}/visualize_optics_custom_annotations_ex_chimerax.cxc (100%) create mode 100644 examples/ex_structures/C_phantasticus_LWS1_esmfold.pdb create mode 100644 examples/ex_structures/C_phantasticus_LWS2_esmfold.pdb create mode 100644 examples/ex_structures/structural_validation_results.csv create mode 100644 examples/optics_on_fish_paralog_test_2026-03-10_13-13-45/arg_log.txt create mode 100644 examples/optics_on_fish_paralog_test_2026-03-10_13-13-45/blastp_report.csv create mode 100644 examples/optics_on_fish_paralog_test_2026-03-10_13-13-45/bootstrap_viz_part1.svg create mode 100644 examples/optics_on_fish_paralog_test_2026-03-10_13-13-45/fig_tree_color_annotation.txt create mode 100644 examples/optics_on_fish_paralog_test_2026-03-10_13-13-45/fish_paralog_test_predictions.tsv create mode 100644 examples/optics_on_fish_paralog_test_2026-03-10_13-13-45/fish_paralog_test_predictions_for_excel.xlsx create mode 100644 examples/optics_on_fish_paralog_test_2026-03-10_13-13-45/itol_color_annotation.txt delete mode 100644 examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/U57536_shap_analysis.csv delete mode 100644 examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/U57536_structure_heatmap.pdb delete mode 100644 examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/ex_structure_viz_in_chimeraX.png delete mode 100644 examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/optics_structure_map_ex_predictions.csv delete mode 100644 examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/visualize_U57536.pml delete mode 100644 examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/visualize_U57536_1U19_ref.pml rename examples/{optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/U57536_structure_heatmap_1U19_ref.pdb => optics_shap_on_structure_map_ex_2026-03-10_13-19-02/1U19_ref_shap_comparison_mapped.pdb} (88%) create mode 100644 examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/C_phantasticus_LWS1_esmfold_shap_comparison_mapped_seq1.pdb create mode 100644 examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/C_phantasticus_LWS1_esmfold_shap_mapped.pdb rename examples/{optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/U57536_individual_shap.svg => optics_shap_on_structure_map_ex_2026-03-10_13-19-02/C_phantasticus_LWS1_individual_shap.svg} (74%) create mode 100644 examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/C_phantasticus_LWS1_shap_analysis.csv create mode 100644 examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/C_phantasticus_LWS1_vs_C_phantasticus_LWS2_shap_data.csv create mode 100644 examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/C_phantasticus_LWS1_vs_C_phantasticus_LWS2_viz.svg create mode 100644 examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/C_phantasticus_LWS2_esmfold_shap_comparison_mapped_seq2.pdb create mode 100644 examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/C_phantasticus_LWS2_esmfold_shap_mapped.pdb create mode 100644 examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/C_phantasticus_LWS2_individual_shap.svg create mode 100644 examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/C_phantasticus_LWS2_shap_analysis.csv create mode 100644 examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/ex_movie.mp4 create mode 100644 examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/ex_screenshot.png create mode 100644 examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/shap_comparison_map_viz_1U19_ref.cxc create mode 100644 examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/shap_comparison_map_viz_C_phantasticus_LWS1_esmfold_seq1.cxc create mode 100644 examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/shap_comparison_map_viz_C_phantasticus_LWS2_esmfold_seq2.cxc create mode 100644 examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/shap_map_viz_C_phantasticus_LWS1_esmfold.cxc create mode 100644 examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/shap_map_viz_C_phantasticus_LWS2_esmfold.cxc rename examples/{optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48 => optics_shap_on_structure_map_ex_2026-03-10_13-19-02}/shap_script_log.txt (100%) create mode 100644 examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/struct_map_comparison_ex_prediction_diff_matrix.csv create mode 100644 examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/struct_map_comparison_ex_predictions.csv delete mode 100644 examples/optics_struct_ex.txt create mode 100644 examples/optics_structure_map_ex.fasta delete mode 100644 run_optics_gui_old_v9.py diff --git a/README - Copy.md b/README - Copy.md deleted file mode 100644 index caaecbd2..00000000 --- a/README - Copy.md +++ /dev/null @@ -1,292 +0,0 @@ -**Code**: [![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0) **Data**: [![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0) **VPOD_v1.2 DOI**: [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.12213246.svg)](https://doi.org/10.5281/zenodo.12213246) - - -# Opsin Phenotype Tool for Inference of Color Sensitivity (OPTICS) [v1.3] - -![](https://github.com/VisualPhysiologyDB/optics/blob/main/data/logo/optics_bs_fig_ex.svg?raw=true) - - _Example Box Plot Output for Bootstrap Predictions of Opsin λmax by OPTICS_ - ---- -## Description -- **OPTICS** is an open-source tool that predicts the Opsin Phenotype (λmax) from unaligned opsin amino-acid sequences. -- **OPTICS** leverages machine learning models trained on the Visual Physiology Opsin Database (VPOD). -- **OPTICS** can be downloaded and used as a command-line or GUI tool. -- **OPTICS** is also avaliable as an online tool [**here**](http://galaxy-dev.cnsi.ucsb.edu:8080/?tool_id=optics_1&version=latest), hosted on our [**Galaxy Project**](https://usegalaxy.org/) server. -- **Check out our pre-print [Accessible and Robust Machine Learning Approaches to Improve the Opsin Genotype-Phenotype Map](https://doi.org/10.1101/2025.08.22.671864) to read more about it!** - -## Key Features - -- **λmax Prediction**: Predicts the peak light absorption wavelength (λmax) for opsin proteins. -- **Model Selection**: Choose from different pre-trained models for prediction. -- **Encoding Methods**: Select between one-hot encoding or amino-acid property encoding for model training and prediction. -- **BLAST Analysis**: Optionally perform BLASTp analysis to compare query sequences against reference datasets. -- **Bootstrap Predictions**: Optionally enable bootstrap predictions for enhanced accuracy assessment. -- **Prediction Explanation**: Utilizes SHAP to explain the key features driving the λmax difference between any two sequences. - -## Table of Contents - -1. [Installation](#installation) -2. [Usage](#usage) - * [```optics_predictions.py```](#main-prediction-script-optics_predictionspy) - * [Using the OPTICS GUI](#using-the-optics-gui-run_optics_guipy---an-more-user-friendly-alternative-to-command-line) - * [Understanding Model Choice](#understanding-the-λmax-prediction-models) - * [```optics_shap.py```](#explaining-prediction-differences-with-shap-optics_shappy) -3. [License](#license) -4. [Citation](#citation) -5. [Contact](#contact) -6. [Additional Resources](#additional-notesresources) - -## Installation - -1. **Clone the repository:** - ```bash - git clone https://github.com/VisualPhysiologyDB/optics.git - -2. **Install dependencies:** [Make sure you are working in the repository directory from here-after] - - A. Create a Conda environment for OPTICS (make sure you have [Conda](https://www.anaconda.com/) installed) - ```bash - conda create --name optics_env python=3.11 - ``` - ### THEN - ```bash - conda activate optics_env - ``` - B. Use the 'requirements.txt' file to download base package dependencies for OPTICS - ```bash - pip install -r requirements.txt - ``` - - - C. **Download MAFFT and BLAST** - - IF working on MAC or LINUX device: - - - Install _BLAST_ and _MAFFT_ directly from the _bioconda_ channel - ```bash - conda install bioconda::blast bioconda::mafft - ``` - - IF working on WINDOWS device: - - Manaully install the Windows compatable [BLAST](https://blast.ncbi.nlm.nih.gov/doc/blast-help/downloadblastdata.html#downloadblastdata) executable on your system PATH; [the download list is here](https://ftp.ncbi.nlm.nih.gov/blast/executables/blast+/LATEST/) - - We suggest downloading '[ncbi-blast-2.16.0+-win64.exe](https://ftp.ncbi.nlm.nih.gov/blast/executables/blast+/LATEST/ncbi-blast-2.16.0+-win64.exe)' - - You DO NOT need to download MAFFT, OPTICS should be able to run MAFFT from the files we provide when downloading this GitHub. - - -## Usage - - **MAKE SURE YOU HAVE ALL DEPENDENCIES DOWNLOADED AND THAT YOU ARE IN THE FOLDER DIRECTORY FOR OPTICS (or have loaded it as a module) BEFORE RUNNING ANY SCRIPTS!** - - ### Main prediction script (```optics_predictions.py```) - - ``` -Required Args: - - -i, --input: Either a single sequence or a path to a FASTA file. - -General Optional Args: - - -o, --output_dir: Desired directory to save output folder/files (optional). Default: './prediction_outputs' - - -p, --prediction_prefix: Base filename for prediction outputs. Default: 'unnamed' - - -v, --model_version: Version of models to use (optional). Based on the version of VPOD used to train models. Options/Default: vpod_1.3 (More version coming later) - - -m, --model: Prediction model to use. Options: whole-dataset, wildtype, vertebrate, invertebrate, wildtype-vert, type-one, whole-dataset-mnm, wildtype-mnm, vertebrate-mnm, invertebrate-mnm, wildtype-vert-mnm. **Default: whole-dataset** - - -e, --encoding: Encoding method to use (optional). Options: one_hot, aa_prop. Default: aa_prop - - --tolerate_non_standard_aa: Allows OPTICS to run predictions on sequences with 'non-standard' amino-acids (e.g. - 'X','O','B', etc...)(optional). Default: True - - --tolerate_incomplete_seqs: Allows OPTICS to run predictions on sequences outside the predefined limits of 250-650 amino-acids. (optional) Default: False - NOTE - if you enable this option, then you may have predictions on incomplete sequences, which should be treated as less accurate. - - --n_jobs: Number of parallel processes to run (optional). -1 is the default, utilizing all avaiable processors., - - -BLASTp Analysis Args (optional): - - --blastp: Enable BLASTp analysis. - - --blastp_report: Filename for BLASTp report. Default: blastp_report.txt - - --refseq: Reference sequence used for blastp analysis. Options: bovine, squid, microbe, custom. Default: bovine - - --custom_ref_file: Path to a custom reference sequence file for BLASTp. Required if --refseq custom is selected. - -Bootstrap Analysis Args (optional): - - --bootstrap: Enable bootstrap predictions. - - --visualize_bootstrap: Enable visualization of bootstrap predictions. - - --bootstrap_num: Number of bootstrap models to load for prediction replicates. Default // Maximum: 100 - - --bootstrap_viz_file: Filename prefix for bootstrap visualization. Default: bootstrap_viz - - --save_viz_as: File type for bootstrap visualizations. Options: SVG, PNG, or PDF Default: SVG - - --full_spectrum_xaxis: Enables visualization of predictions on a full spectrum x-axis (300-650nm). Otherwise, x-axis is scaled with predictions. - - ``` - ### Example Command Line Usage vvv - - ```bash - python optics_predictions.py -i ./examples/optics_ex_short.txt -o ./examples -p ex_predictions -m wildtype -e aa_prop --blastp --blastp_report blastp_report_ex --refseq squid --bootstrap --visualize_bootstrap --bootstrap_viz_file bootstrap_viz --save_viz_as svg - ``` - -### Input - -- **Unaligned** FASTA file containing opsin amino-acid sequences. -- Example FASTA Entry: - ``` - >NP_001014890.1_rhodopsin_Bos_taurus - MNGTEGPNFYVPFSNKTGVVRSPFEAPQYYLAEPWQFSMLAAYMFLLIMLGFPINFLTLYVTVQHKKLRT - PLNYILLNLAVADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVC - KPMSNFRFGENHAIMGVAFTWVMALACAAPPLVGWSRYIPEGMQCSCGIDYYTPHEETNNESFVIYMFVV - HFIIPLIVIFFCYGQLVFTVKEAAAQQQESATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQG - SDFGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTTLCCGKNPLGDDEASTTVSKTETSQVAPA   - ``` -### Output - -- Predictions (TSV): λmax values, model used, and encoding method. -- BLAST Results (TXT, optional): Comparison of query sequences to reference datasets. -- Bootstrap Graphs (PDF, optional): Visualization of bootstrap prediction results. -- Job Log (TXT): Log file containing input command to OPTICS, including encoding method and model used. - - **Note** - All outputs are written into subfolders generated based on your 'prediction-prefix' under your specified output directory, and are marked by time and date. - -## **Using the OPTICS GUI (```run_optics_gui.py```)** - An more user-friendly alternative to command-line - -That's right! No-need for command line, OPTICS can also be used as a GUI! -The usage is quite simple, just use the command below (with your OPTICS conda enviornment activated) and get to predicting. ;) - - ### Example GUI Usage vvv - - ```bash - python run_optics_gui.py - ``` - -ex optics gui - -_Example of the OPTICS GUI interface_ - -## **Understanding the λmax Prediction Models** - -The ```--model``` flag allows you to select a specific pre-trained model for wavelength prediction. Each available model is named after the data-subset it was trained on, allowing you to choose the one best suited for your research question. This was originally done to test how factors like taxonomic group or gene family inclusivity impact prediction performance. - -### **Base Model Datasets** - -The primary models include: - -* **whole-dataset**: Trained on the entire VPOD dataset, including all taxonomic groups and both wild-type and mutant sequences. In most cases, **this is the recommended model** as it leverages the most data. - * Generally, more data = better models (assuming that data is good data) -* **wildtype**: Trained exclusively on wild-type opsin sequences, with all mutant sequences removed. -* **vertebrate**: Trained only on sequences from the phylum Chordata. -* **invertebrate**: Trained only on sequences from species not in the phylum Chordata. -* **wildtype-vert**: A more specific subset containing only wild-type sequences from vertebrates. - -### **The ```-mnm``` Suffix: Dataset Augmentation with Mine-n-Match (MNM)** - -The key difference between models with and without the ```-mnm``` suffix lies in the source of the phenotype data (the λmax values). - -* **Standard models** (e.g., wildtype): These are trained *exclusively* on data where the sequence-to-relationship was validated experimentally through **heterologous expression**. This represents a controlled, in-vitro dataset. -* **```-mnm``` models** (e.g., wildtype-mnm): These are trained on an augmented dataset. It includes the standard heterologous expression data *plus* additional data from our **"Mine-n-Match" (mnm)** procedure. This process systematically infers connections between sequences and **in-vivo** measurements, providing a broader and more biologically contextualized training set. - * Note, the methodology behind MNM and the implimentation of that data into VPOD/OPTICS is elaborated upon in our publication introducing OPTICS ([Frazer et al. 2025](https://doi.org/10.1101/2025.08.22.671864) ) ---- - -### Explaining Prediction Differences with SHAP (```optics_shap.py```) -For users interested in the "nitty-gritty" of _why_ sequences have different predicted λmax values, we provide a specialized script that uses *SHAP* (SHapley Additive exPlanations). This tool generates a plot and detailed data files that attribute the difference in prediction to specific features (i.e., amino acid sites and their properties). - -![](https://github.com/VisualPhysiologyDB/optics/blob/main/examples/optics_shap_on_short_ex_test_aa_prop_2026-01-09_02-28-40/Bombus_impatiens_424_individual_shap.svg?raw=true) - -_Example SHAP plot for explaining individual predictions of opsin λmax by OPTICS_ - -![](https://github.com/VisualPhysiologyDB/optics/blob/main/examples/optics_shap_on_short_ex_test_aa_prop_2026-01-09_02-28-40/Bombus_impatiens_424_vs_Bombus_impatiens_347_viz.svg?raw=true) - -_Example SHAP comparison plot for explaining pair-wise differences in predictions of opsin λmax by OPTICS_ - -This script requires a **FASTA file** -- File must contain at least **two or more sequences** if you are running a SHAP comparison. -- Only a single sequence is needed for an individual SHAP explination - -### SHAP Script Parameters -Most parameters are identical to the main prediction script. Below are the key arguments: - -``` -Required Args: - -i, --input: Path to a FASTA file containing two sequences to compare. - -Optional Args: - -o, --output_dir: Directory to save the SHAP analysis output folder. - -p, --prediction_prefix: Base filename for the SHAP plot and data files. - --mode: Analysis mode: select 'comparison' for pairwise SHAP comparison of all sequence predictions, 'single' for individual SHAP explinations of all sequences, or 'both' for both outputs. - -m, --model: Prediction model to use for the comparison. - -e, --encoding: Encoding method to use. - --n_positions: Number of positions to show on SHAP explanation graphs. Default=10 to limit noisiness. - --save_viz_as: File type for the SHAP visualization (svg, png, or pdf). - --use_reference_sites : Enable to use reference site numbering (i.e. - Bovine or Squid Rhodopsin), instead of feature names. -``` - -### Example Command Line Usage vvv - -```bash -python optics_shap.py -i ./examples/optics_ex_short.fasta -o ./examples -p short_ex_test_aa_prop --mode both --use_reference_sites -``` - -### Input -- **Unaligned** FASTA file containing any number of opsin amino-acid sequences for shap comparison. -- Please note - if you are doing comparison mode (or both) this is combinatorial (so all sequences will be ccompared in pairwise fashion) which can become computationally expensive. - -### Output - -- SHAP Plot (SVG/PNG/PDF): Visual explanation for the top 10 sites cotributing to prediction differences. -- SHAP Data (CSV): Detailed feature attribution values. -- Run Log (TXT): A record of the commands use and other information pertaining to the shap prediction. - -***Note - Once again, all outputs are written into subfolders generated based on your 'prediction-prefix' under your specified output directory, and are marked by time and date. - ---- -## License -All data and code is covered under a GNU General Public License (GPL)(Version 3), in accordance with Open Source Initiative (OSI)-policies - -## Citation - -- **IF citing this GitHub and its contents use the following DOI provided by Zenodo...** - - 10.5281/zenodo.10667840 - -- **IF you use OPTICS in your research, please cite the following paper(s):** - - - Our more recent publication directly on the making/utility of OPTICS. - - Seth A. Frazer, Todd H. Oakley. Accessible and Robust Machine Learning Approaches to Improve the Opsin Genotype-Phenotype Map. bioRxiv, 2025.08.22.671864. https://doi.org/10.1101/2025.08.22.671864 - - - Our original paper on the development of VPOD; the opsin genotype-phenotype database backbone for training the ML models used in OPTICS. - - Seth A. Frazer, Mahdi Baghbanzadeh, Ali Rahnavard, Keith A. Crandall, & Todd H Oakley. Discovering genotype-phenotype relationships with machine learning and the Visual Physiology Opsin Database (VPOD). GigaScience, 2024.09.01. https://doi.org/10.1093/gigascience/giae073 - -## Contact -Contact information for author questions or feedback. - - **Todd H. Oakley** - [ORCID ID](https://orcid.org/0000-0002-4478-915X) - - oakley@ucsb.edu - -**Seth A. Frazer** - [ORCID ID](https://orcid.org/0000-0002-3800-212X) - - sethfrazer@ucsb.edu - ---- -## Additional Notes/Resources - -- Want to use OPTICS without the hassle of the setup? -> [CLICK HERE](http://galaxy-dev.cnsi.ucsb.edu:8080/?tool_id=optics_1&version=latest) to visit our Galaxy Project server and use our tool! - -- *OPTICS v1.3 uses VPOD_v1.3 for training.* - -- **[Here](https://tinyurl.com/u7hn9adm)** is a link to a bibliography of the publications used to build VPOD_v1.2 (VPOD_v1.3 version not yet released) - -- If you know of publications for training opsin ML models not included in the VPOD_v1.2 database, please send them to us through **[this form](https://tinyurl.com/29afaxyr)** - -- Check out the **[VPOD GitHub](https://github.com/VisualPhysiologyDB/visual-physiology-opsin-db)** repository to learn more about our database and ML models! diff --git a/README.md b/README.md index 64319c90..1de21d3f 100644 --- a/README.md +++ b/README.md @@ -294,16 +294,16 @@ _**WARNING** - Be cautious if you choose the 'comparison' or 'both' mode for SHA ### 3\. Mapping SHAP Importance to 3D Structure (`optics_structure_map.py`) -This script takes the output CSVs from the SHAP analysis script and maps the importance values onto a 3D protein structure (PDB). +This script takes the output CSVs from the SHAP analysis script (both individual explanations AND pairwise comparison differences) and maps the importance values onto a 3D protein structure (PDB). -It modifies the B-factor column of the PDB file, allowing you to visualize "importance" as a heat map (Blue=Low, Red=High importance). +It modifies the B-factor column of the PDB file, allowing you to visualize "importance" as a heat map (Blue=Low, Orange=High importance). For comparison outputs, it maps the absolute difference in SHAP values to highlight the regions most responsible for the divergence in predicted λmax. ``` Required Args: -s, --shap_csv: Path to the SHAP analysis CSV file generated by optics_shap.py. Optional Args: - -p, --pdb_file: Path to a local PDB file OR a 4-letter PDB ID (e.g., 1U19) to retrieve. Default: 1U19 (Bovine Rhodopsin). + -p, --pdb_file: Path to PDB file(s) or ID(s). Can provide two comma-separated paths (e.g., struct1.pdb,struct2.pdb) if mapping 'both' sequences from a comparison CSV. Default: 1U19 (Bovine Rhodopsin). -o, --output_dir: Output directory. @@ -311,19 +311,33 @@ Optional Args: --use_query_position: Check this if your CSV uses target sequence numbering rather than reference numbering. + --comp_target: If mapping a pairwise comparison CSV using query positions, select which sequence's numbering to map ('1', '2', or 'both'). Default: 1. + --map_bovine_also: If using a custom PDB, this flag forces a second output mapped to Bovine Rhodopsin (1U19) for comparison. + --top_n_labels: Number of top SHAP sites to automatically label in the generated visualization script. Default: 0. + + --software: The target software for the visualization script output ('pymol' or 'chimerax'). Default: 'chimerax'. + ``` -**Example Command:** +**Example Command #1: SHAP Importance Structure Mapping For Single Sequence (no comparison metrics)** ``` -python optics_structure_map.py -s ./examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/U57536_shap_analysis.csv -p ./examples/U57536_ex_struct.pdb --map_bovine_also +python optics_structure_map.py -s ./examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/U57536_shap_analysis.csv -p ./examples/U57536_ex_struct.pdb --top_n_labels 5 --software chimerax --map_bovine_also +``` + +**Example Command #2: SHAP Comparison Mapping on Both Sequences with Top 5 Positions Labeled** + +``` +python optics_structure_map.py -s ./examples/Bombus_vs_Apis_shap_data.csv -p ./examples/Bombus_struct.pdb,./examples/Apis_struct.pdb --use_query_position --comp_target both --top_n_labels 5 --software chimerax ``` ### Output -- SHAP Annotated Structure File (PDB): Generates a `.pdb` file with importance scores in the B-factor column and a `.pml` script to automatically visualize it in PyMOL.* +- SHAP Annotated Structure File (PDB): Generates a .pdb file with importance (or difference) scores in the B-factor column. If comp_target is both, generates two PDB files using the sequence numbering schemes and provided PDB templates. + +- Visualization Script (.pml or .cxc): Generates a PyMOL or ChimeraX script designed to automatically color the heat-map properly and display text labels over the top SHAP sites. ### 4\. Generate Custom Structure Annotations (`optics_structure_annotations.py`) @@ -338,7 +352,7 @@ Optional Args: -o, --output_dir. Default: '.' - --software: Target visualization software ('pymol' or 'chimerax'). Default: chimerax. + --software: Target visualization software ('pymol' or 'chimerax'). Default: 'chimerax'. --chain: Chain identifier. Default: 'A' diff --git a/examples/U57536_ex_struct.pdb b/examples/U57536_ex_struct.pdb deleted file mode 100644 index 41c6d314..00000000 --- a/examples/U57536_ex_struct.pdb +++ /dev/null @@ -1,2770 +0,0 @@ -MODEL 1 -ATOM 1 N MET A 1 30.391 7.531 -3.004 1.00 50.84 N -ATOM 2 CA MET A 1 28.969 7.242 -3.193 1.00 50.84 C -ATOM 3 C MET A 1 28.672 5.766 -2.963 1.00 50.84 C -ATOM 4 CB MET A 1 28.516 7.652 -4.598 1.00 50.84 C -ATOM 5 O MET A 1 29.391 4.898 -3.486 1.00 50.84 O -ATOM 6 CG MET A 1 28.359 9.148 -4.777 1.00 50.84 C -ATOM 7 SD MET A 1 27.656 9.594 -6.418 1.00 50.84 S -ATOM 8 CE MET A 1 28.000 11.375 -6.438 1.00 50.84 C -ATOM 9 N ASN A 2 28.031 5.328 -1.880 1.00 66.69 N -ATOM 10 CA ASN A 2 27.859 3.953 -1.420 1.00 66.69 C -ATOM 11 C ASN A 2 26.812 3.209 -2.254 1.00 66.69 C -ATOM 12 CB ASN A 2 27.469 3.928 0.060 1.00 66.69 C -ATOM 13 O ASN A 2 26.828 1.978 -2.303 1.00 66.69 O -ATOM 14 CG ASN A 2 28.594 4.363 0.969 1.00 66.69 C -ATOM 15 ND2 ASN A 2 28.250 4.832 2.162 1.00 66.69 N -ATOM 16 OD1 ASN A 2 29.781 4.285 0.601 1.00 66.69 O -ATOM 17 N GLY A 3 26.016 3.871 -3.221 1.00 74.75 N -ATOM 18 CA GLY A 3 25.172 3.338 -4.289 1.00 74.75 C -ATOM 19 C GLY A 3 25.500 3.928 -5.648 1.00 74.75 C -ATOM 20 O GLY A 3 26.281 4.871 -5.750 1.00 74.75 O -ATOM 21 N THR A 4 25.188 3.109 -6.703 1.00 83.19 N -ATOM 22 CA THR A 4 25.438 3.516 -8.086 1.00 83.19 C -ATOM 23 C THR A 4 24.141 3.918 -8.773 1.00 83.19 C -ATOM 24 CB THR A 4 26.109 2.389 -8.883 1.00 83.19 C -ATOM 25 O THR A 4 23.172 3.146 -8.797 1.00 83.19 O -ATOM 26 CG2 THR A 4 26.516 2.865 -10.273 1.00 83.19 C -ATOM 27 OG1 THR A 4 27.297 1.956 -8.180 1.00 83.19 O -ATOM 28 N GLU A 5 24.141 5.191 -9.102 1.00 87.69 N -ATOM 29 CA GLU A 5 23.000 5.727 -9.852 1.00 87.69 C -ATOM 30 C GLU A 5 23.219 5.570 -11.359 1.00 87.69 C -ATOM 31 CB GLU A 5 22.766 7.195 -9.500 1.00 87.69 C -ATOM 32 O GLU A 5 24.250 5.973 -11.891 1.00 87.69 O -ATOM 33 CG GLU A 5 21.609 7.832 -10.250 1.00 87.69 C -ATOM 34 CD GLU A 5 21.391 9.297 -9.898 1.00 87.69 C -ATOM 35 OE1 GLU A 5 20.656 9.992 -10.633 1.00 87.69 O -ATOM 36 OE2 GLU A 5 21.969 9.742 -8.875 1.00 87.69 O -ATOM 37 N GLY A 6 22.359 4.824 -12.039 1.00 87.81 N -ATOM 38 CA GLY A 6 22.328 4.699 -13.484 1.00 87.81 C -ATOM 39 C GLY A 6 21.141 5.402 -14.117 1.00 87.81 C -ATOM 40 O GLY A 6 20.391 6.102 -13.438 1.00 87.81 O -ATOM 41 N PRO A 7 21.078 5.383 -15.484 1.00 88.19 N -ATOM 42 CA PRO A 7 19.891 5.980 -16.109 1.00 88.19 C -ATOM 43 C PRO A 7 18.594 5.293 -15.711 1.00 88.19 C -ATOM 44 CB PRO A 7 20.172 5.801 -17.609 1.00 88.19 C -ATOM 45 O PRO A 7 18.312 4.176 -16.156 1.00 88.19 O -ATOM 46 CG PRO A 7 21.625 5.484 -17.703 1.00 88.19 C -ATOM 47 CD PRO A 7 22.062 4.855 -16.406 1.00 88.19 C -ATOM 48 N TYR A 8 17.875 5.918 -14.727 1.00 92.19 N -ATOM 49 CA TYR A 8 16.547 5.473 -14.297 1.00 92.19 C -ATOM 50 C TYR A 8 16.656 4.250 -13.398 1.00 92.19 C -ATOM 51 CB TYR A 8 15.672 5.156 -15.516 1.00 92.19 C -ATOM 52 O TYR A 8 15.781 3.373 -13.430 1.00 92.19 O -ATOM 53 CG TYR A 8 15.359 6.363 -16.375 1.00 92.19 C -ATOM 54 CD1 TYR A 8 14.422 7.309 -15.961 1.00 92.19 C -ATOM 55 CD2 TYR A 8 16.000 6.555 -17.594 1.00 92.19 C -ATOM 56 CE1 TYR A 8 14.133 8.422 -16.734 1.00 92.19 C -ATOM 57 CE2 TYR A 8 15.719 7.664 -18.375 1.00 92.19 C -ATOM 58 OH TYR A 8 14.500 9.688 -18.734 1.00 92.19 O -ATOM 59 CZ TYR A 8 14.781 8.586 -17.953 1.00 92.19 C -ATOM 60 N PHE A 9 17.672 4.078 -12.703 1.00 93.75 N -ATOM 61 CA PHE A 9 17.797 3.061 -11.664 1.00 93.75 C -ATOM 62 C PHE A 9 18.844 3.469 -10.625 1.00 93.75 C -ATOM 63 CB PHE A 9 18.172 1.708 -12.281 1.00 93.75 C -ATOM 64 O PHE A 9 19.656 4.355 -10.883 1.00 93.75 O -ATOM 65 CG PHE A 9 19.578 1.656 -12.820 1.00 93.75 C -ATOM 66 CD1 PHE A 9 19.844 1.975 -14.148 1.00 93.75 C -ATOM 67 CD2 PHE A 9 20.641 1.288 -12.008 1.00 93.75 C -ATOM 68 CE1 PHE A 9 21.141 1.927 -14.656 1.00 93.75 C -ATOM 69 CE2 PHE A 9 21.938 1.238 -12.508 1.00 93.75 C -ATOM 70 CZ PHE A 9 22.188 1.558 -13.828 1.00 93.75 C -ATOM 71 N TYR A 10 18.766 2.842 -9.477 1.00 92.06 N -ATOM 72 CA TYR A 10 19.703 2.986 -8.367 1.00 92.06 C -ATOM 73 C TYR A 10 20.031 1.633 -7.746 1.00 92.06 C -ATOM 74 CB TYR A 10 19.125 3.922 -7.297 1.00 92.06 C -ATOM 75 O TYR A 10 19.125 0.864 -7.406 1.00 92.06 O -ATOM 76 CG TYR A 10 19.984 4.039 -6.062 1.00 92.06 C -ATOM 77 CD1 TYR A 10 19.766 3.238 -4.949 1.00 92.06 C -ATOM 78 CD2 TYR A 10 21.031 4.957 -6.012 1.00 92.06 C -ATOM 79 CE1 TYR A 10 20.547 3.346 -3.811 1.00 92.06 C -ATOM 80 CE2 TYR A 10 21.828 5.070 -4.879 1.00 92.06 C -ATOM 81 OH TYR A 10 22.375 4.375 -2.662 1.00 92.06 O -ATOM 82 CZ TYR A 10 21.594 4.262 -3.785 1.00 92.06 C -ATOM 83 N VAL A 11 21.344 1.355 -7.703 1.00 89.50 N -ATOM 84 CA VAL A 11 21.797 0.133 -7.047 1.00 89.50 C -ATOM 85 C VAL A 11 22.375 0.465 -5.672 1.00 89.50 C -ATOM 86 CB VAL A 11 22.859 -0.607 -7.898 1.00 89.50 C -ATOM 87 O VAL A 11 23.344 1.211 -5.562 1.00 89.50 O -ATOM 88 CG1 VAL A 11 23.344 -1.867 -7.184 1.00 89.50 C -ATOM 89 CG2 VAL A 11 22.281 -0.954 -9.273 1.00 89.50 C -ATOM 90 N PRO A 12 21.672 -0.098 -4.574 1.00 80.50 N -ATOM 91 CA PRO A 12 22.062 0.280 -3.213 1.00 80.50 C -ATOM 92 C PRO A 12 23.312 -0.454 -2.729 1.00 80.50 C -ATOM 93 CB PRO A 12 20.844 -0.112 -2.375 1.00 80.50 C -ATOM 94 O PRO A 12 23.297 -1.066 -1.658 1.00 80.50 O -ATOM 95 CG PRO A 12 20.250 -1.278 -3.094 1.00 80.50 C -ATOM 96 CD PRO A 12 20.500 -1.114 -4.566 1.00 80.50 C -ATOM 97 N MET A 13 24.359 -0.671 -3.533 1.00 75.62 N -ATOM 98 CA MET A 13 25.625 -1.291 -3.135 1.00 75.62 C -ATOM 99 C MET A 13 26.812 -0.513 -3.689 1.00 75.62 C -ATOM 100 CB MET A 13 25.688 -2.744 -3.609 1.00 75.62 C -ATOM 101 O MET A 13 26.703 0.148 -4.723 1.00 75.62 O -ATOM 102 CG MET A 13 25.641 -2.898 -5.121 1.00 75.62 C -ATOM 103 SD MET A 13 25.594 -4.656 -5.648 1.00 75.62 S -ATOM 104 CE MET A 13 27.297 -4.855 -6.234 1.00 75.62 C -ATOM 105 N VAL A 14 27.922 -0.574 -2.820 1.00 66.00 N -ATOM 106 CA VAL A 14 29.172 0.062 -3.184 1.00 66.00 C -ATOM 107 C VAL A 14 29.812 -0.684 -4.352 1.00 66.00 C -ATOM 108 CB VAL A 14 30.156 0.109 -1.986 1.00 66.00 C -ATOM 109 O VAL A 14 29.828 -1.917 -4.375 1.00 66.00 O -ATOM 110 CG1 VAL A 14 31.469 0.755 -2.393 1.00 66.00 C -ATOM 111 CG2 VAL A 14 29.531 0.864 -0.816 1.00 66.00 C -ATOM 112 N ASN A 15 30.172 0.106 -5.480 1.00 65.50 N -ATOM 113 CA ASN A 15 30.828 -0.413 -6.680 1.00 65.50 C -ATOM 114 C ASN A 15 32.281 -0.778 -6.414 1.00 65.50 C -ATOM 115 CB ASN A 15 30.719 0.600 -7.820 1.00 65.50 C -ATOM 116 O ASN A 15 33.156 -0.427 -7.199 1.00 65.50 O -ATOM 117 CG ASN A 15 31.297 0.071 -9.117 1.00 65.50 C -ATOM 118 ND2 ASN A 15 31.391 0.935 -10.125 1.00 65.50 N -ATOM 119 OD1 ASN A 15 31.672 -1.104 -9.219 1.00 65.50 O -ATOM 120 N THR A 16 32.625 -1.399 -5.262 1.00 63.47 N -ATOM 121 CA THR A 16 34.031 -1.701 -4.992 1.00 63.47 C -ATOM 122 C THR A 16 34.531 -2.775 -5.945 1.00 63.47 C -ATOM 123 CB THR A 16 34.219 -2.160 -3.537 1.00 63.47 C -ATOM 124 O THR A 16 35.719 -2.764 -6.328 1.00 63.47 O -ATOM 125 CG2 THR A 16 34.031 -1.002 -2.562 1.00 63.47 C -ATOM 126 OG1 THR A 16 33.281 -3.186 -3.229 1.00 63.47 O -ATOM 127 N THR A 17 33.688 -3.656 -6.355 1.00 67.38 N -ATOM 128 CA THR A 17 34.062 -4.754 -7.234 1.00 67.38 C -ATOM 129 C THR A 17 34.031 -4.312 -8.695 1.00 67.38 C -ATOM 130 CB THR A 17 33.156 -5.977 -7.039 1.00 67.38 C -ATOM 131 O THR A 17 34.562 -5.004 -9.570 1.00 67.38 O -ATOM 132 CG2 THR A 17 33.219 -6.492 -5.605 1.00 67.38 C -ATOM 133 OG1 THR A 17 31.797 -5.605 -7.340 1.00 67.38 O -ATOM 134 N GLY A 18 33.469 -3.059 -9.008 1.00 67.69 N -ATOM 135 CA GLY A 18 33.312 -2.576 -10.367 1.00 67.69 C -ATOM 136 C GLY A 18 32.062 -3.139 -11.039 1.00 67.69 C -ATOM 137 O GLY A 18 31.812 -2.895 -12.227 1.00 67.69 O -ATOM 138 N VAL A 19 31.203 -3.912 -10.320 1.00 75.81 N -ATOM 139 CA VAL A 19 30.094 -4.551 -11.000 1.00 75.81 C -ATOM 140 C VAL A 19 28.797 -3.791 -10.703 1.00 75.81 C -ATOM 141 CB VAL A 19 29.938 -6.031 -10.586 1.00 75.81 C -ATOM 142 O VAL A 19 28.328 -3.779 -9.562 1.00 75.81 O -ATOM 143 CG1 VAL A 19 28.734 -6.672 -11.273 1.00 75.81 C -ATOM 144 CG2 VAL A 19 31.219 -6.805 -10.898 1.00 75.81 C -ATOM 145 N VAL A 20 28.328 -2.863 -11.438 1.00 84.44 N -ATOM 146 CA VAL A 20 26.984 -2.309 -11.469 1.00 84.44 C -ATOM 147 C VAL A 20 26.359 -2.537 -12.852 1.00 84.44 C -ATOM 148 CB VAL A 20 26.984 -0.803 -11.133 1.00 84.44 C -ATOM 149 O VAL A 20 26.875 -2.039 -13.859 1.00 84.44 O -ATOM 150 CG1 VAL A 20 25.562 -0.239 -11.188 1.00 84.44 C -ATOM 151 CG2 VAL A 20 27.594 -0.568 -9.750 1.00 84.44 C -ATOM 152 N ARG A 21 25.328 -3.379 -12.758 1.00 89.62 N -ATOM 153 CA ARG A 21 24.656 -3.672 -14.023 1.00 89.62 C -ATOM 154 C ARG A 21 23.234 -3.129 -14.031 1.00 89.62 C -ATOM 155 CB ARG A 21 24.641 -5.180 -14.289 1.00 89.62 C -ATOM 156 O ARG A 21 22.594 -3.021 -12.984 1.00 89.62 O -ATOM 157 CG ARG A 21 26.031 -5.789 -14.438 1.00 89.62 C -ATOM 158 CD ARG A 21 25.953 -7.273 -14.766 1.00 89.62 C -ATOM 159 NE ARG A 21 27.281 -7.848 -14.961 1.00 89.62 N -ATOM 160 NH1 ARG A 21 26.547 -10.016 -15.234 1.00 89.62 N -ATOM 161 NH2 ARG A 21 28.781 -9.547 -15.344 1.00 89.62 N -ATOM 162 CZ ARG A 21 27.531 -9.133 -15.180 1.00 89.62 C -ATOM 163 N SER A 22 22.859 -2.715 -15.156 1.00 93.19 N -ATOM 164 CA SER A 22 21.500 -2.234 -15.320 1.00 93.19 C -ATOM 165 C SER A 22 20.484 -3.326 -14.984 1.00 93.19 C -ATOM 166 CB SER A 22 21.266 -1.738 -16.750 1.00 93.19 C -ATOM 167 O SER A 22 20.562 -4.438 -15.508 1.00 93.19 O -ATOM 168 OG SER A 22 19.891 -1.460 -16.969 1.00 93.19 O -ATOM 169 N PRO A 23 19.516 -3.002 -14.078 1.00 95.19 N -ATOM 170 CA PRO A 23 18.484 -3.980 -13.719 1.00 95.19 C -ATOM 171 C PRO A 23 17.484 -4.227 -14.852 1.00 95.19 C -ATOM 172 CB PRO A 23 17.781 -3.344 -12.508 1.00 95.19 C -ATOM 173 O PRO A 23 16.578 -5.059 -14.711 1.00 95.19 O -ATOM 174 CG PRO A 23 17.953 -1.871 -12.711 1.00 95.19 C -ATOM 175 CD PRO A 23 19.266 -1.622 -13.383 1.00 95.19 C -ATOM 176 N TYR A 24 17.734 -3.535 -15.906 1.00 96.94 N -ATOM 177 CA TYR A 24 16.828 -3.713 -17.047 1.00 96.94 C -ATOM 178 C TYR A 24 17.438 -4.652 -18.078 1.00 96.94 C -ATOM 179 CB TYR A 24 16.516 -2.363 -17.688 1.00 96.94 C -ATOM 180 O TYR A 24 16.734 -5.160 -18.953 1.00 96.94 O -ATOM 181 CG TYR A 24 15.836 -1.385 -16.750 1.00 96.94 C -ATOM 182 CD1 TYR A 24 14.555 -1.626 -16.266 1.00 96.94 C -ATOM 183 CD2 TYR A 24 16.484 -0.219 -16.359 1.00 96.94 C -ATOM 184 CE1 TYR A 24 13.930 -0.727 -15.414 1.00 96.94 C -ATOM 185 CE2 TYR A 24 15.867 0.687 -15.500 1.00 96.94 C -ATOM 186 OH TYR A 24 13.984 1.318 -14.180 1.00 96.94 O -ATOM 187 CZ TYR A 24 14.594 0.425 -15.031 1.00 96.94 C -ATOM 188 N GLU A 25 18.688 -4.957 -17.922 1.00 94.44 N -ATOM 189 CA GLU A 25 19.359 -5.699 -18.984 1.00 94.44 C -ATOM 190 C GLU A 25 19.984 -6.980 -18.453 1.00 94.44 C -ATOM 191 CB GLU A 25 20.422 -4.832 -19.656 1.00 94.44 C -ATOM 192 O GLU A 25 20.156 -7.949 -19.203 1.00 94.44 O -ATOM 193 CG GLU A 25 19.859 -3.613 -20.375 1.00 94.44 C -ATOM 194 CD GLU A 25 20.922 -2.781 -21.078 1.00 94.44 C -ATOM 195 OE1 GLU A 25 20.594 -1.734 -21.672 1.00 94.44 O -ATOM 196 OE2 GLU A 25 22.109 -3.182 -21.016 1.00 94.44 O -ATOM 197 N TYR A 26 20.266 -6.941 -17.141 1.00 94.62 N -ATOM 198 CA TYR A 26 21.031 -8.070 -16.625 1.00 94.62 C -ATOM 199 C TYR A 26 20.453 -8.555 -15.297 1.00 94.62 C -ATOM 200 CB TYR A 26 22.500 -7.691 -16.438 1.00 94.62 C -ATOM 201 O TYR A 26 19.984 -7.750 -14.492 1.00 94.62 O -ATOM 202 CG TYR A 26 23.203 -7.320 -17.734 1.00 94.62 C -ATOM 203 CD1 TYR A 26 23.812 -8.289 -18.516 1.00 94.62 C -ATOM 204 CD2 TYR A 26 23.234 -6.000 -18.172 1.00 94.62 C -ATOM 205 CE1 TYR A 26 24.453 -7.953 -19.703 1.00 94.62 C -ATOM 206 CE2 TYR A 26 23.875 -5.652 -19.359 1.00 94.62 C -ATOM 207 OH TYR A 26 25.109 -6.293 -21.281 1.00 94.62 O -ATOM 208 CZ TYR A 26 24.484 -6.633 -20.109 1.00 94.62 C -ATOM 209 N PRO A 27 20.562 -9.898 -15.133 1.00 94.75 N -ATOM 210 CA PRO A 27 20.219 -10.422 -13.812 1.00 94.75 C -ATOM 211 C PRO A 27 21.078 -9.828 -12.695 1.00 94.75 C -ATOM 212 CB PRO A 27 20.469 -11.930 -13.945 1.00 94.75 C -ATOM 213 O PRO A 27 22.250 -9.523 -12.922 1.00 94.75 O -ATOM 214 CG PRO A 27 20.297 -12.203 -15.406 1.00 94.75 C -ATOM 215 CD PRO A 27 20.812 -11.023 -16.188 1.00 94.75 C -ATOM 216 N GLN A 28 20.391 -9.695 -11.492 1.00 93.88 N -ATOM 217 CA GLN A 28 21.047 -9.008 -10.391 1.00 93.88 C -ATOM 218 C GLN A 28 21.531 -10.000 -9.328 1.00 93.88 C -ATOM 219 CB GLN A 28 20.125 -7.977 -9.766 1.00 93.88 C -ATOM 220 O GLN A 28 21.422 -9.734 -8.133 1.00 93.88 O -ATOM 221 CG GLN A 28 19.656 -6.898 -10.734 1.00 93.88 C -ATOM 222 CD GLN A 28 20.797 -6.055 -11.266 1.00 93.88 C -ATOM 223 NE2 GLN A 28 20.984 -6.070 -12.578 1.00 93.88 N -ATOM 224 OE1 GLN A 28 21.500 -5.391 -10.500 1.00 93.88 O -ATOM 225 N TYR A 29 22.156 -11.094 -9.711 1.00 92.06 N -ATOM 226 CA TYR A 29 22.547 -12.172 -8.812 1.00 92.06 C -ATOM 227 C TYR A 29 23.719 -11.758 -7.934 1.00 92.06 C -ATOM 228 CB TYR A 29 22.906 -13.438 -9.602 1.00 92.06 C -ATOM 229 O TYR A 29 24.000 -12.391 -6.910 1.00 92.06 O -ATOM 230 CG TYR A 29 21.734 -14.039 -10.344 1.00 92.06 C -ATOM 231 CD1 TYR A 29 20.500 -14.219 -9.711 1.00 92.06 C -ATOM 232 CD2 TYR A 29 21.859 -14.438 -11.664 1.00 92.06 C -ATOM 233 CE1 TYR A 29 19.422 -14.773 -10.391 1.00 92.06 C -ATOM 234 CE2 TYR A 29 20.781 -15.000 -12.352 1.00 92.06 C -ATOM 235 OH TYR A 29 18.516 -15.719 -12.383 1.00 92.06 O -ATOM 236 CZ TYR A 29 19.578 -15.164 -11.711 1.00 92.06 C -ATOM 237 N TYR A 30 24.312 -10.680 -8.328 1.00 89.75 N -ATOM 238 CA TYR A 30 25.438 -10.211 -7.527 1.00 89.75 C -ATOM 239 C TYR A 30 24.938 -9.461 -6.293 1.00 89.75 C -ATOM 240 CB TYR A 30 26.344 -9.312 -8.359 1.00 89.75 C -ATOM 241 O TYR A 30 25.719 -9.227 -5.355 1.00 89.75 O -ATOM 242 CG TYR A 30 25.703 -8.016 -8.789 1.00 89.75 C -ATOM 243 CD1 TYR A 30 24.922 -7.961 -9.945 1.00 89.75 C -ATOM 244 CD2 TYR A 30 25.859 -6.855 -8.047 1.00 89.75 C -ATOM 245 CE1 TYR A 30 24.328 -6.770 -10.352 1.00 89.75 C -ATOM 246 CE2 TYR A 30 25.266 -5.660 -8.445 1.00 89.75 C -ATOM 247 OH TYR A 30 23.906 -4.449 -9.992 1.00 89.75 O -ATOM 248 CZ TYR A 30 24.500 -5.629 -9.594 1.00 89.75 C -ATOM 249 N LEU A 31 23.578 -8.992 -6.336 1.00 89.69 N -ATOM 250 CA LEU A 31 23.016 -8.258 -5.203 1.00 89.69 C -ATOM 251 C LEU A 31 22.688 -9.203 -4.055 1.00 89.69 C -ATOM 252 CB LEU A 31 21.766 -7.492 -5.633 1.00 89.69 C -ATOM 253 O LEU A 31 22.938 -8.875 -2.889 1.00 89.69 O -ATOM 254 CG LEU A 31 21.969 -6.312 -6.582 1.00 89.69 C -ATOM 255 CD1 LEU A 31 20.641 -5.664 -6.934 1.00 89.69 C -ATOM 256 CD2 LEU A 31 22.922 -5.293 -5.969 1.00 89.69 C -ATOM 257 N VAL A 32 22.141 -10.359 -4.387 1.00 90.94 N -ATOM 258 CA VAL A 32 21.734 -11.336 -3.389 1.00 90.94 C -ATOM 259 C VAL A 32 21.781 -12.742 -3.990 1.00 90.94 C -ATOM 260 CB VAL A 32 20.312 -11.039 -2.850 1.00 90.94 C -ATOM 261 O VAL A 32 21.859 -12.898 -5.211 1.00 90.94 O -ATOM 262 CG1 VAL A 32 20.312 -9.742 -2.047 1.00 90.94 C -ATOM 263 CG2 VAL A 32 19.312 -10.969 -4.000 1.00 90.94 C -ATOM 264 N ASN A 33 21.766 -13.734 -3.146 1.00 92.25 N -ATOM 265 CA ASN A 33 21.703 -15.133 -3.559 1.00 92.25 C -ATOM 266 C ASN A 33 20.484 -15.414 -4.418 1.00 92.25 C -ATOM 267 CB ASN A 33 21.734 -16.047 -2.338 1.00 92.25 C -ATOM 268 O ASN A 33 19.391 -14.930 -4.125 1.00 92.25 O -ATOM 269 CG ASN A 33 21.875 -17.516 -2.709 1.00 92.25 C -ATOM 270 ND2 ASN A 33 22.781 -18.219 -2.027 1.00 92.25 N -ATOM 271 OD1 ASN A 33 21.188 -18.016 -3.605 1.00 92.25 O -ATOM 272 N PRO A 34 20.688 -16.125 -5.500 1.00 94.19 N -ATOM 273 CA PRO A 34 19.562 -16.484 -6.375 1.00 94.19 C -ATOM 274 C PRO A 34 18.391 -17.109 -5.605 1.00 94.19 C -ATOM 275 CB PRO A 34 20.172 -17.516 -7.332 1.00 94.19 C -ATOM 276 O PRO A 34 17.250 -17.031 -6.059 1.00 94.19 O -ATOM 277 CG PRO A 34 21.609 -17.125 -7.438 1.00 94.19 C -ATOM 278 CD PRO A 34 22.078 -16.609 -6.098 1.00 94.19 C -ATOM 279 N ALA A 35 18.641 -17.750 -4.535 1.00 95.88 N -ATOM 280 CA ALA A 35 17.578 -18.312 -3.705 1.00 95.88 C -ATOM 281 C ALA A 35 16.625 -17.219 -3.223 1.00 95.88 C -ATOM 282 CB ALA A 35 18.172 -19.062 -2.514 1.00 95.88 C -ATOM 283 O ALA A 35 15.422 -17.453 -3.082 1.00 95.88 O -ATOM 284 N ALA A 36 17.156 -16.031 -2.943 1.00 95.56 N -ATOM 285 CA ALA A 36 16.328 -14.906 -2.482 1.00 95.56 C -ATOM 286 C ALA A 36 15.320 -14.492 -3.547 1.00 95.56 C -ATOM 287 CB ALA A 36 17.219 -13.719 -2.105 1.00 95.56 C -ATOM 288 O ALA A 36 14.180 -14.141 -3.229 1.00 95.56 O -ATOM 289 N PHE A 37 15.680 -14.516 -4.766 1.00 97.06 N -ATOM 290 CA PHE A 37 14.766 -14.203 -5.859 1.00 97.06 C -ATOM 291 C PHE A 37 13.648 -15.242 -5.938 1.00 97.06 C -ATOM 292 CB PHE A 37 15.516 -14.148 -7.191 1.00 97.06 C -ATOM 293 O PHE A 37 12.492 -14.898 -6.203 1.00 97.06 O -ATOM 294 CG PHE A 37 16.469 -12.984 -7.297 1.00 97.06 C -ATOM 295 CD1 PHE A 37 16.047 -11.766 -7.809 1.00 97.06 C -ATOM 296 CD2 PHE A 37 17.781 -13.109 -6.883 1.00 97.06 C -ATOM 297 CE1 PHE A 37 16.922 -10.688 -7.910 1.00 97.06 C -ATOM 298 CE2 PHE A 37 18.672 -12.039 -6.980 1.00 97.06 C -ATOM 299 CZ PHE A 37 18.234 -10.828 -7.496 1.00 97.06 C -ATOM 300 N ALA A 38 14.039 -16.516 -5.734 1.00 97.31 N -ATOM 301 CA ALA A 38 13.039 -17.578 -5.719 1.00 97.31 C -ATOM 302 C ALA A 38 12.031 -17.375 -4.590 1.00 97.31 C -ATOM 303 CB ALA A 38 13.711 -18.938 -5.582 1.00 97.31 C -ATOM 304 O ALA A 38 10.828 -17.547 -4.785 1.00 97.31 O -ATOM 305 N VAL A 39 12.516 -16.953 -3.465 1.00 97.62 N -ATOM 306 CA VAL A 39 11.656 -16.688 -2.312 1.00 97.62 C -ATOM 307 C VAL A 39 10.703 -15.539 -2.619 1.00 97.62 C -ATOM 308 CB VAL A 39 12.484 -16.375 -1.047 1.00 97.62 C -ATOM 309 O VAL A 39 9.516 -15.617 -2.318 1.00 97.62 O -ATOM 310 CG1 VAL A 39 11.578 -15.906 0.088 1.00 97.62 C -ATOM 311 CG2 VAL A 39 13.289 -17.609 -0.619 1.00 97.62 C -ATOM 312 N LEU A 40 11.281 -14.508 -3.221 1.00 96.88 N -ATOM 313 CA LEU A 40 10.453 -13.375 -3.607 1.00 96.88 C -ATOM 314 C LEU A 40 9.359 -13.805 -4.578 1.00 96.88 C -ATOM 315 CB LEU A 40 11.320 -12.273 -4.242 1.00 96.88 C -ATOM 316 O LEU A 40 8.195 -13.422 -4.418 1.00 96.88 O -ATOM 317 CG LEU A 40 10.578 -11.031 -4.738 1.00 96.88 C -ATOM 318 CD1 LEU A 40 9.836 -10.359 -3.582 1.00 96.88 C -ATOM 319 CD2 LEU A 40 11.547 -10.062 -5.395 1.00 96.88 C -ATOM 320 N GLY A 41 9.773 -14.555 -5.570 1.00 98.12 N -ATOM 321 CA GLY A 41 8.805 -15.086 -6.516 1.00 98.12 C -ATOM 322 C GLY A 41 7.730 -15.930 -5.855 1.00 98.12 C -ATOM 323 O GLY A 41 6.547 -15.789 -6.168 1.00 98.12 O -ATOM 324 N ALA A 42 8.109 -16.828 -4.945 1.00 98.31 N -ATOM 325 CA ALA A 42 7.168 -17.672 -4.219 1.00 98.31 C -ATOM 326 C ALA A 42 6.203 -16.828 -3.389 1.00 98.31 C -ATOM 327 CB ALA A 42 7.914 -18.656 -3.324 1.00 98.31 C -ATOM 328 O ALA A 42 5.000 -17.109 -3.350 1.00 98.31 O -ATOM 329 N TYR A 43 6.723 -15.836 -2.775 1.00 97.94 N -ATOM 330 CA TYR A 43 5.902 -14.938 -1.971 1.00 97.94 C -ATOM 331 C TYR A 43 4.875 -14.219 -2.834 1.00 97.94 C -ATOM 332 CB TYR A 43 6.781 -13.914 -1.240 1.00 97.94 C -ATOM 333 O TYR A 43 3.701 -14.117 -2.467 1.00 97.94 O -ATOM 334 CG TYR A 43 5.996 -12.914 -0.428 1.00 97.94 C -ATOM 335 CD1 TYR A 43 6.008 -11.562 -0.760 1.00 97.94 C -ATOM 336 CD2 TYR A 43 5.246 -13.312 0.671 1.00 97.94 C -ATOM 337 CE1 TYR A 43 5.289 -10.633 -0.014 1.00 97.94 C -ATOM 338 CE2 TYR A 43 4.523 -12.398 1.424 1.00 97.94 C -ATOM 339 OH TYR A 43 3.840 -10.141 1.816 1.00 97.94 O -ATOM 340 CZ TYR A 43 4.555 -11.055 1.074 1.00 97.94 C -ATOM 341 N MET A 44 5.297 -13.672 -3.939 1.00 98.25 N -ATOM 342 CA MET A 44 4.375 -13.000 -4.852 1.00 98.25 C -ATOM 343 C MET A 44 3.303 -13.969 -5.348 1.00 98.25 C -ATOM 344 CB MET A 44 5.133 -12.406 -6.043 1.00 98.25 C -ATOM 345 O MET A 44 2.133 -13.602 -5.457 1.00 98.25 O -ATOM 346 CG MET A 44 6.059 -11.266 -5.668 1.00 98.25 C -ATOM 347 SD MET A 44 5.180 -9.906 -4.797 1.00 98.25 S -ATOM 348 CE MET A 44 6.594 -9.023 -4.074 1.00 98.25 C -ATOM 349 N PHE A 45 3.777 -15.133 -5.656 1.00 98.31 N -ATOM 350 CA PHE A 45 2.834 -16.156 -6.070 1.00 98.31 C -ATOM 351 C PHE A 45 1.789 -16.406 -4.988 1.00 98.31 C -ATOM 352 CB PHE A 45 3.570 -17.469 -6.395 1.00 98.31 C -ATOM 353 O PHE A 45 0.596 -16.500 -5.281 1.00 98.31 O -ATOM 354 CG PHE A 45 2.664 -18.578 -6.863 1.00 98.31 C -ATOM 355 CD1 PHE A 45 2.412 -19.672 -6.055 1.00 98.31 C -ATOM 356 CD2 PHE A 45 2.066 -18.516 -8.117 1.00 98.31 C -ATOM 357 CE1 PHE A 45 1.574 -20.703 -6.488 1.00 98.31 C -ATOM 358 CE2 PHE A 45 1.229 -19.531 -8.555 1.00 98.31 C -ATOM 359 CZ PHE A 45 0.984 -20.625 -7.742 1.00 98.31 C -ATOM 360 N PHE A 46 2.227 -16.516 -3.773 1.00 98.19 N -ATOM 361 CA PHE A 46 1.328 -16.656 -2.635 1.00 98.19 C -ATOM 362 C PHE A 46 0.315 -15.523 -2.590 1.00 98.19 C -ATOM 363 CB PHE A 46 2.121 -16.719 -1.325 1.00 98.19 C -ATOM 364 O PHE A 46 -0.884 -15.758 -2.430 1.00 98.19 O -ATOM 365 CG PHE A 46 1.269 -16.562 -0.093 1.00 98.19 C -ATOM 366 CD1 PHE A 46 1.163 -15.352 0.560 1.00 98.19 C -ATOM 367 CD2 PHE A 46 0.572 -17.656 0.412 1.00 98.19 C -ATOM 368 CE1 PHE A 46 0.375 -15.211 1.700 1.00 98.19 C -ATOM 369 CE2 PHE A 46 -0.218 -17.531 1.551 1.00 98.19 C -ATOM 370 CZ PHE A 46 -0.315 -16.312 2.193 1.00 98.19 C -ATOM 371 N LEU A 47 0.770 -14.328 -2.713 1.00 98.00 N -ATOM 372 CA LEU A 47 -0.115 -13.164 -2.674 1.00 98.00 C -ATOM 373 C LEU A 47 -1.136 -13.227 -3.805 1.00 98.00 C -ATOM 374 CB LEU A 47 0.696 -11.875 -2.768 1.00 98.00 C -ATOM 375 O LEU A 47 -2.303 -12.883 -3.611 1.00 98.00 O -ATOM 376 CG LEU A 47 1.598 -11.547 -1.576 1.00 98.00 C -ATOM 377 CD1 LEU A 47 2.342 -10.234 -1.814 1.00 98.00 C -ATOM 378 CD2 LEU A 47 0.780 -11.477 -0.290 1.00 98.00 C -ATOM 379 N ILE A 48 -0.759 -13.703 -4.910 1.00 98.38 N -ATOM 380 CA ILE A 48 -1.618 -13.758 -6.086 1.00 98.38 C -ATOM 381 C ILE A 48 -2.695 -14.820 -5.891 1.00 98.38 C -ATOM 382 CB ILE A 48 -0.805 -14.047 -7.367 1.00 98.38 C -ATOM 383 O ILE A 48 -3.879 -14.562 -6.121 1.00 98.38 O -ATOM 384 CG1 ILE A 48 0.085 -12.852 -7.719 1.00 98.38 C -ATOM 385 CG2 ILE A 48 -1.736 -14.398 -8.531 1.00 98.38 C -ATOM 386 CD1 ILE A 48 1.172 -13.164 -8.742 1.00 98.38 C -ATOM 387 N ILE A 49 -2.381 -15.977 -5.469 1.00 98.00 N -ATOM 388 CA ILE A 49 -3.297 -17.109 -5.379 1.00 98.00 C -ATOM 389 C ILE A 49 -4.328 -16.859 -4.281 1.00 98.00 C -ATOM 390 CB ILE A 49 -2.541 -18.438 -5.105 1.00 98.00 C -ATOM 391 O ILE A 49 -5.469 -17.312 -4.375 1.00 98.00 O -ATOM 392 CG1 ILE A 49 -3.426 -19.641 -5.453 1.00 98.00 C -ATOM 393 CG2 ILE A 49 -2.076 -18.500 -3.650 1.00 98.00 C -ATOM 394 CD1 ILE A 49 -2.646 -20.875 -5.852 1.00 98.00 C -ATOM 395 N PHE A 50 -3.941 -16.047 -3.318 1.00 96.31 N -ATOM 396 CA PHE A 50 -4.887 -15.766 -2.248 1.00 96.31 C -ATOM 397 C PHE A 50 -5.531 -14.398 -2.451 1.00 96.31 C -ATOM 398 CB PHE A 50 -4.191 -15.820 -0.883 1.00 96.31 C -ATOM 399 O PHE A 50 -6.723 -14.227 -2.188 1.00 96.31 O -ATOM 400 CG PHE A 50 -3.916 -17.219 -0.398 1.00 96.31 C -ATOM 401 CD1 PHE A 50 -4.918 -17.969 0.202 1.00 96.31 C -ATOM 402 CD2 PHE A 50 -2.654 -17.781 -0.542 1.00 96.31 C -ATOM 403 CE1 PHE A 50 -4.664 -19.266 0.652 1.00 96.31 C -ATOM 404 CE2 PHE A 50 -2.393 -19.062 -0.095 1.00 96.31 C -ATOM 405 CZ PHE A 50 -3.400 -19.812 0.503 1.00 96.31 C -ATOM 406 N GLY A 51 -4.742 -13.516 -2.904 1.00 97.00 N -ATOM 407 CA GLY A 51 -5.215 -12.148 -3.076 1.00 97.00 C -ATOM 408 C GLY A 51 -6.270 -12.008 -4.160 1.00 97.00 C -ATOM 409 O GLY A 51 -7.270 -11.320 -3.973 1.00 97.00 O -ATOM 410 N PHE A 52 -6.055 -12.695 -5.258 1.00 97.19 N -ATOM 411 CA PHE A 52 -6.977 -12.555 -6.379 1.00 97.19 C -ATOM 412 C PHE A 52 -8.344 -13.117 -6.031 1.00 97.19 C -ATOM 413 CB PHE A 52 -6.422 -13.250 -7.625 1.00 97.19 C -ATOM 414 O PHE A 52 -9.359 -12.414 -6.113 1.00 97.19 O -ATOM 415 CG PHE A 52 -7.285 -13.086 -8.852 1.00 97.19 C -ATOM 416 CD1 PHE A 52 -8.250 -14.039 -9.164 1.00 97.19 C -ATOM 417 CD2 PHE A 52 -7.137 -11.984 -9.680 1.00 97.19 C -ATOM 418 CE1 PHE A 52 -9.047 -13.891 -10.297 1.00 97.19 C -ATOM 419 CE2 PHE A 52 -7.934 -11.828 -10.812 1.00 97.19 C -ATOM 420 CZ PHE A 52 -8.891 -12.789 -11.117 1.00 97.19 C -ATOM 421 N PRO A 53 -8.359 -14.375 -5.570 1.00 96.00 N -ATOM 422 CA PRO A 53 -9.680 -14.953 -5.305 1.00 96.00 C -ATOM 423 C PRO A 53 -10.453 -14.195 -4.234 1.00 96.00 C -ATOM 424 CB PRO A 53 -9.344 -16.375 -4.836 1.00 96.00 C -ATOM 425 O PRO A 53 -11.656 -13.969 -4.383 1.00 96.00 O -ATOM 426 CG PRO A 53 -8.023 -16.688 -5.465 1.00 96.00 C -ATOM 427 CD PRO A 53 -7.227 -15.422 -5.547 1.00 96.00 C -ATOM 428 N ILE A 54 -9.844 -13.836 -3.156 1.00 94.81 N -ATOM 429 CA ILE A 54 -10.531 -13.188 -2.045 1.00 94.81 C -ATOM 430 C ILE A 54 -11.086 -11.844 -2.496 1.00 94.81 C -ATOM 431 CB ILE A 54 -9.594 -13.000 -0.831 1.00 94.81 C -ATOM 432 O ILE A 54 -12.219 -11.484 -2.158 1.00 94.81 O -ATOM 433 CG1 ILE A 54 -10.398 -12.586 0.407 1.00 94.81 C -ATOM 434 CG2 ILE A 54 -8.500 -11.969 -1.145 1.00 94.81 C -ATOM 435 CD1 ILE A 54 -9.609 -12.648 1.707 1.00 94.81 C -ATOM 436 N ASN A 55 -10.344 -11.133 -3.248 1.00 96.12 N -ATOM 437 CA ASN A 55 -10.789 -9.820 -3.703 1.00 96.12 C -ATOM 438 C ASN A 55 -11.828 -9.945 -4.812 1.00 96.12 C -ATOM 439 CB ASN A 55 -9.602 -8.984 -4.176 1.00 96.12 C -ATOM 440 O ASN A 55 -12.797 -9.180 -4.848 1.00 96.12 O -ATOM 441 CG ASN A 55 -8.766 -8.453 -3.027 1.00 96.12 C -ATOM 442 ND2 ASN A 55 -7.605 -9.062 -2.811 1.00 96.12 N -ATOM 443 OD1 ASN A 55 -9.164 -7.508 -2.340 1.00 96.12 O -ATOM 444 N PHE A 56 -11.641 -10.883 -5.676 1.00 95.69 N -ATOM 445 CA PHE A 56 -12.633 -11.133 -6.715 1.00 95.69 C -ATOM 446 C PHE A 56 -13.953 -11.586 -6.105 1.00 95.69 C -ATOM 447 CB PHE A 56 -12.117 -12.195 -7.699 1.00 95.69 C -ATOM 448 O PHE A 56 -15.016 -11.102 -6.492 1.00 95.69 O -ATOM 449 CG PHE A 56 -13.055 -12.453 -8.852 1.00 95.69 C -ATOM 450 CD1 PHE A 56 -13.969 -13.492 -8.805 1.00 95.69 C -ATOM 451 CD2 PHE A 56 -13.008 -11.648 -9.984 1.00 95.69 C -ATOM 452 CE1 PHE A 56 -14.836 -13.727 -9.867 1.00 95.69 C -ATOM 453 CE2 PHE A 56 -13.867 -11.883 -11.055 1.00 95.69 C -ATOM 454 CZ PHE A 56 -14.781 -12.922 -10.992 1.00 95.69 C -ATOM 455 N LEU A 57 -13.883 -12.492 -5.184 1.00 93.25 N -ATOM 456 CA LEU A 57 -15.078 -13.000 -4.516 1.00 93.25 C -ATOM 457 C LEU A 57 -15.805 -11.875 -3.783 1.00 93.25 C -ATOM 458 CB LEU A 57 -14.711 -14.109 -3.529 1.00 93.25 C -ATOM 459 O LEU A 57 -17.031 -11.828 -3.770 1.00 93.25 O -ATOM 460 CG LEU A 57 -15.883 -14.875 -2.908 1.00 93.25 C -ATOM 461 CD1 LEU A 57 -16.719 -15.531 -3.996 1.00 93.25 C -ATOM 462 CD2 LEU A 57 -15.367 -15.922 -1.918 1.00 93.25 C -ATOM 463 N THR A 58 -15.078 -11.023 -3.172 1.00 92.88 N -ATOM 464 CA THR A 58 -15.664 -9.875 -2.494 1.00 92.88 C -ATOM 465 C THR A 58 -16.500 -9.047 -3.461 1.00 92.88 C -ATOM 466 CB THR A 58 -14.586 -8.984 -1.855 1.00 92.88 C -ATOM 467 O THR A 58 -17.625 -8.656 -3.141 1.00 92.88 O -ATOM 468 CG2 THR A 58 -15.195 -7.746 -1.215 1.00 92.88 C -ATOM 469 OG1 THR A 58 -13.891 -9.734 -0.850 1.00 92.88 O -ATOM 470 N LEU A 59 -15.977 -8.828 -4.637 1.00 93.75 N -ATOM 471 CA LEU A 59 -16.703 -8.078 -5.656 1.00 93.75 C -ATOM 472 C LEU A 59 -17.922 -8.852 -6.129 1.00 93.75 C -ATOM 473 CB LEU A 59 -15.789 -7.762 -6.848 1.00 93.75 C -ATOM 474 O LEU A 59 -19.031 -8.289 -6.207 1.00 93.75 O -ATOM 475 CG LEU A 59 -14.672 -6.754 -6.598 1.00 93.75 C -ATOM 476 CD1 LEU A 59 -13.734 -6.695 -7.797 1.00 93.75 C -ATOM 477 CD2 LEU A 59 -15.242 -5.379 -6.289 1.00 93.75 C -ATOM 478 N TYR A 60 -17.672 -10.062 -6.418 1.00 93.19 N -ATOM 479 CA TYR A 60 -18.734 -10.914 -6.934 1.00 93.19 C -ATOM 480 C TYR A 60 -19.875 -11.031 -5.930 1.00 93.19 C -ATOM 481 CB TYR A 60 -18.188 -12.312 -7.270 1.00 93.19 C -ATOM 482 O TYR A 60 -21.047 -10.883 -6.285 1.00 93.19 O -ATOM 483 CG TYR A 60 -19.250 -13.273 -7.746 1.00 93.19 C -ATOM 484 CD1 TYR A 60 -19.719 -14.281 -6.910 1.00 93.19 C -ATOM 485 CD2 TYR A 60 -19.766 -13.180 -9.031 1.00 93.19 C -ATOM 486 CE1 TYR A 60 -20.688 -15.180 -7.344 1.00 93.19 C -ATOM 487 CE2 TYR A 60 -20.750 -14.070 -9.477 1.00 93.19 C -ATOM 488 OH TYR A 60 -22.156 -15.945 -9.062 1.00 93.19 O -ATOM 489 CZ TYR A 60 -21.203 -15.062 -8.625 1.00 93.19 C -ATOM 490 N VAL A 61 -19.609 -11.305 -4.656 1.00 92.06 N -ATOM 491 CA VAL A 61 -20.609 -11.500 -3.609 1.00 92.06 C -ATOM 492 C VAL A 61 -21.406 -10.211 -3.396 1.00 92.06 C -ATOM 493 CB VAL A 61 -19.953 -11.945 -2.281 1.00 92.06 C -ATOM 494 O VAL A 61 -22.625 -10.250 -3.213 1.00 92.06 O -ATOM 495 CG1 VAL A 61 -20.969 -11.875 -1.134 1.00 92.06 C -ATOM 496 CG2 VAL A 61 -19.391 -13.359 -2.416 1.00 92.06 C -ATOM 497 N THR A 62 -20.719 -9.141 -3.402 1.00 90.62 N -ATOM 498 CA THR A 62 -21.406 -7.867 -3.232 1.00 90.62 C -ATOM 499 C THR A 62 -22.391 -7.617 -4.379 1.00 90.62 C -ATOM 500 CB THR A 62 -20.406 -6.699 -3.148 1.00 90.62 C -ATOM 501 O THR A 62 -23.500 -7.117 -4.164 1.00 90.62 O -ATOM 502 CG2 THR A 62 -21.125 -5.371 -2.938 1.00 90.62 C -ATOM 503 OG1 THR A 62 -19.516 -6.926 -2.053 1.00 90.62 O -ATOM 504 N LEU A 63 -21.984 -7.992 -5.605 1.00 89.06 N -ATOM 505 CA LEU A 63 -22.844 -7.816 -6.777 1.00 89.06 C -ATOM 506 C LEU A 63 -24.016 -8.781 -6.742 1.00 89.06 C -ATOM 507 CB LEU A 63 -22.031 -8.023 -8.062 1.00 89.06 C -ATOM 508 O LEU A 63 -25.125 -8.438 -7.180 1.00 89.06 O -ATOM 509 CG LEU A 63 -21.016 -6.934 -8.398 1.00 89.06 C -ATOM 510 CD1 LEU A 63 -20.203 -7.332 -9.633 1.00 89.06 C -ATOM 511 CD2 LEU A 63 -21.719 -5.594 -8.625 1.00 89.06 C -ATOM 512 N GLU A 64 -23.812 -9.938 -6.281 1.00 91.06 N -ATOM 513 CA GLU A 64 -24.812 -11.000 -6.258 1.00 91.06 C -ATOM 514 C GLU A 64 -25.891 -10.727 -5.207 1.00 91.06 C -ATOM 515 CB GLU A 64 -24.156 -12.352 -5.996 1.00 91.06 C -ATOM 516 O GLU A 64 -27.062 -11.031 -5.418 1.00 91.06 O -ATOM 517 CG GLU A 64 -25.125 -13.523 -6.027 1.00 91.06 C -ATOM 518 CD GLU A 64 -24.438 -14.875 -5.891 1.00 91.06 C -ATOM 519 OE1 GLU A 64 -25.141 -15.914 -5.852 1.00 91.06 O -ATOM 520 OE2 GLU A 64 -23.188 -14.898 -5.824 1.00 91.06 O -ATOM 521 N HIS A 65 -25.469 -10.117 -4.051 1.00 91.38 N -ATOM 522 CA HIS A 65 -26.406 -9.945 -2.938 1.00 91.38 C -ATOM 523 C HIS A 65 -26.750 -8.469 -2.740 1.00 91.38 C -ATOM 524 CB HIS A 65 -25.797 -10.516 -1.650 1.00 91.38 C -ATOM 525 O HIS A 65 -25.938 -7.691 -2.250 1.00 91.38 O -ATOM 526 CG HIS A 65 -25.594 -11.992 -1.693 1.00 91.38 C -ATOM 527 CD2 HIS A 65 -24.516 -12.727 -2.092 1.00 91.38 C -ATOM 528 ND1 HIS A 65 -26.547 -12.898 -1.295 1.00 91.38 N -ATOM 529 CE1 HIS A 65 -26.078 -14.125 -1.446 1.00 91.38 C -ATOM 530 NE2 HIS A 65 -24.859 -14.047 -1.928 1.00 91.38 N -ATOM 531 N LYS A 66 -28.078 -8.148 -2.994 1.00 89.12 N -ATOM 532 CA LYS A 66 -28.562 -6.773 -2.943 1.00 89.12 C -ATOM 533 C LYS A 66 -28.438 -6.195 -1.537 1.00 89.12 C -ATOM 534 CB LYS A 66 -30.031 -6.707 -3.406 1.00 89.12 C -ATOM 535 O LYS A 66 -28.234 -4.992 -1.372 1.00 89.12 O -ATOM 536 CG LYS A 66 -30.203 -6.922 -4.902 1.00 89.12 C -ATOM 537 CD LYS A 66 -31.656 -6.730 -5.316 1.00 89.12 C -ATOM 538 CE LYS A 66 -31.859 -6.992 -6.805 1.00 89.12 C -ATOM 539 NZ LYS A 66 -33.250 -6.715 -7.238 1.00 89.12 N -ATOM 540 N LYS A 67 -28.500 -7.066 -0.614 1.00 88.56 N -ATOM 541 CA LYS A 67 -28.469 -6.648 0.785 1.00 88.56 C -ATOM 542 C LYS A 67 -27.109 -6.074 1.155 1.00 88.56 C -ATOM 543 CB LYS A 67 -28.812 -7.824 1.703 1.00 88.56 C -ATOM 544 O LYS A 67 -26.984 -5.340 2.137 1.00 88.56 O -ATOM 545 CG LYS A 67 -27.859 -9.000 1.581 1.00 88.56 C -ATOM 546 CD LYS A 67 -28.266 -10.156 2.488 1.00 88.56 C -ATOM 547 CE LYS A 67 -27.359 -11.359 2.307 1.00 88.56 C -ATOM 548 NZ LYS A 67 -27.797 -12.516 3.156 1.00 88.56 N -ATOM 549 N LEU A 68 -26.047 -6.484 0.399 1.00 88.88 N -ATOM 550 CA LEU A 68 -24.703 -6.020 0.689 1.00 88.88 C -ATOM 551 C LEU A 68 -24.406 -4.715 -0.039 1.00 88.88 C -ATOM 552 CB LEU A 68 -23.672 -7.082 0.292 1.00 88.88 C -ATOM 553 O LEU A 68 -23.375 -4.078 0.205 1.00 88.88 O -ATOM 554 CG LEU A 68 -23.703 -8.391 1.083 1.00 88.88 C -ATOM 555 CD1 LEU A 68 -22.641 -9.352 0.562 1.00 88.88 C -ATOM 556 CD2 LEU A 68 -23.516 -8.125 2.570 1.00 88.88 C -ATOM 557 N ARG A 69 -25.281 -4.238 -0.891 1.00 90.12 N -ATOM 558 CA ARG A 69 -25.078 -3.029 -1.678 1.00 90.12 C -ATOM 559 C ARG A 69 -25.516 -1.790 -0.907 1.00 90.12 C -ATOM 560 CB ARG A 69 -25.812 -3.113 -3.010 1.00 90.12 C -ATOM 561 O ARG A 69 -26.469 -1.118 -1.300 1.00 90.12 O -ATOM 562 CG ARG A 69 -25.422 -4.309 -3.861 1.00 90.12 C -ATOM 563 CD ARG A 69 -26.266 -4.406 -5.125 1.00 90.12 C -ATOM 564 NE ARG A 69 -26.141 -5.715 -5.762 1.00 90.12 N -ATOM 565 NH1 ARG A 69 -27.953 -5.430 -7.172 1.00 90.12 N -ATOM 566 NH2 ARG A 69 -26.734 -7.375 -7.230 1.00 90.12 N -ATOM 567 CZ ARG A 69 -26.953 -6.172 -6.719 1.00 90.12 C -ATOM 568 N THR A 70 -24.844 -1.633 0.148 1.00 88.69 N -ATOM 569 CA THR A 70 -25.062 -0.481 1.017 1.00 88.69 C -ATOM 570 C THR A 70 -23.859 0.465 0.971 1.00 88.69 C -ATOM 571 CB THR A 70 -25.312 -0.919 2.471 1.00 88.69 C -ATOM 572 O THR A 70 -22.750 0.057 0.615 1.00 88.69 O -ATOM 573 CG2 THR A 70 -26.484 -1.896 2.553 1.00 88.69 C -ATOM 574 OG1 THR A 70 -24.141 -1.554 2.986 1.00 88.69 O -ATOM 575 N PRO A 71 -24.172 1.729 1.175 1.00 84.31 N -ATOM 576 CA PRO A 71 -23.094 2.719 1.141 1.00 84.31 C -ATOM 577 C PRO A 71 -21.906 2.318 2.000 1.00 84.31 C -ATOM 578 CB PRO A 71 -23.766 3.984 1.688 1.00 84.31 C -ATOM 579 O PRO A 71 -20.750 2.566 1.622 1.00 84.31 O -ATOM 580 CG PRO A 71 -25.203 3.848 1.319 1.00 84.31 C -ATOM 581 CD PRO A 71 -25.594 2.402 1.438 1.00 84.31 C -ATOM 582 N LEU A 72 -22.141 1.546 2.996 1.00 79.69 N -ATOM 583 CA LEU A 72 -21.062 1.152 3.904 1.00 79.69 C -ATOM 584 C LEU A 72 -20.156 0.119 3.250 1.00 79.69 C -ATOM 585 CB LEU A 72 -21.641 0.591 5.207 1.00 79.69 C -ATOM 586 O LEU A 72 -18.953 0.090 3.518 1.00 79.69 O -ATOM 587 CG LEU A 72 -22.297 1.603 6.152 1.00 79.69 C -ATOM 588 CD1 LEU A 72 -22.938 0.886 7.336 1.00 79.69 C -ATOM 589 CD2 LEU A 72 -21.266 2.625 6.625 1.00 79.69 C -ATOM 590 N ASN A 73 -20.672 -0.572 2.275 1.00 87.00 N -ATOM 591 CA ASN A 73 -19.922 -1.648 1.644 1.00 87.00 C -ATOM 592 C ASN A 73 -19.188 -1.159 0.402 1.00 87.00 C -ATOM 593 CB ASN A 73 -20.844 -2.814 1.287 1.00 87.00 C -ATOM 594 O ASN A 73 -18.344 -1.877 -0.150 1.00 87.00 O -ATOM 595 CG ASN A 73 -21.188 -3.682 2.484 1.00 87.00 C -ATOM 596 ND2 ASN A 73 -22.188 -4.539 2.334 1.00 87.00 N -ATOM 597 OD1 ASN A 73 -20.547 -3.580 3.537 1.00 87.00 O -ATOM 598 N TYR A 74 -19.484 0.069 -0.057 1.00 86.81 N -ATOM 599 CA TYR A 74 -18.812 0.612 -1.237 1.00 86.81 C -ATOM 600 C TYR A 74 -17.312 0.756 -1.002 1.00 86.81 C -ATOM 601 CB TYR A 74 -19.422 1.968 -1.617 1.00 86.81 C -ATOM 602 O TYR A 74 -16.516 0.593 -1.927 1.00 86.81 O -ATOM 603 CG TYR A 74 -20.750 1.865 -2.330 1.00 86.81 C -ATOM 604 CD1 TYR A 74 -21.438 0.661 -2.373 1.00 86.81 C -ATOM 605 CD2 TYR A 74 -21.297 2.971 -2.963 1.00 86.81 C -ATOM 606 CE1 TYR A 74 -22.672 0.561 -3.031 1.00 86.81 C -ATOM 607 CE2 TYR A 74 -22.516 2.883 -3.623 1.00 86.81 C -ATOM 608 OH TYR A 74 -24.406 1.582 -4.305 1.00 86.81 O -ATOM 609 CZ TYR A 74 -23.203 1.675 -3.652 1.00 86.81 C -ATOM 610 N ILE A 75 -16.984 1.090 0.224 1.00 84.38 N -ATOM 611 CA ILE A 75 -15.570 1.253 0.522 1.00 84.38 C -ATOM 612 C ILE A 75 -14.867 -0.098 0.425 1.00 84.38 C -ATOM 613 CB ILE A 75 -15.359 1.871 1.922 1.00 84.38 C -ATOM 614 O ILE A 75 -13.734 -0.181 -0.063 1.00 84.38 O -ATOM 615 CG1 ILE A 75 -15.820 3.332 1.938 1.00 84.38 C -ATOM 616 CG2 ILE A 75 -13.891 1.754 2.344 1.00 84.38 C -ATOM 617 CD1 ILE A 75 -15.883 3.945 3.328 1.00 84.38 C -ATOM 618 N LEU A 76 -15.602 -1.139 0.873 1.00 82.50 N -ATOM 619 CA LEU A 76 -15.062 -2.490 0.758 1.00 82.50 C -ATOM 620 C LEU A 76 -14.859 -2.871 -0.704 1.00 82.50 C -ATOM 621 CB LEU A 76 -16.000 -3.498 1.432 1.00 82.50 C -ATOM 622 O LEU A 76 -13.844 -3.482 -1.053 1.00 82.50 O -ATOM 623 CG LEU A 76 -16.094 -3.426 2.957 1.00 82.50 C -ATOM 624 CD1 LEU A 76 -17.125 -4.418 3.475 1.00 82.50 C -ATOM 625 CD2 LEU A 76 -14.727 -3.695 3.584 1.00 82.50 C -ATOM 626 N LEU A 77 -15.797 -2.506 -1.482 1.00 90.00 N -ATOM 627 CA LEU A 77 -15.695 -2.762 -2.914 1.00 90.00 C -ATOM 628 C LEU A 77 -14.508 -2.016 -3.518 1.00 90.00 C -ATOM 629 CB LEU A 77 -16.984 -2.348 -3.627 1.00 90.00 C -ATOM 630 O LEU A 77 -13.773 -2.572 -4.332 1.00 90.00 O -ATOM 631 CG LEU A 77 -18.234 -3.197 -3.330 1.00 90.00 C -ATOM 632 CD1 LEU A 77 -19.469 -2.553 -3.939 1.00 90.00 C -ATOM 633 CD2 LEU A 77 -18.047 -4.617 -3.857 1.00 90.00 C -ATOM 634 N ASN A 78 -14.398 -0.800 -3.094 1.00 93.25 N -ATOM 635 CA ASN A 78 -13.289 0.036 -3.539 1.00 93.25 C -ATOM 636 C ASN A 78 -11.938 -0.592 -3.195 1.00 93.25 C -ATOM 637 CB ASN A 78 -13.391 1.436 -2.928 1.00 93.25 C -ATOM 638 O ASN A 78 -11.031 -0.606 -4.023 1.00 93.25 O -ATOM 639 CG ASN A 78 -12.562 2.461 -3.674 1.00 93.25 C -ATOM 640 ND2 ASN A 78 -11.969 3.391 -2.938 1.00 93.25 N -ATOM 641 OD1 ASN A 78 -12.461 2.418 -4.902 1.00 93.25 O -ATOM 642 N LEU A 79 -11.812 -1.146 -2.021 1.00 91.88 N -ATOM 643 CA LEU A 79 -10.609 -1.824 -1.562 1.00 91.88 C -ATOM 644 C LEU A 79 -10.297 -3.039 -2.432 1.00 91.88 C -ATOM 645 CB LEU A 79 -10.758 -2.252 -0.099 1.00 91.88 C -ATOM 646 O LEU A 79 -9.141 -3.285 -2.777 1.00 91.88 O -ATOM 647 CG LEU A 79 -10.469 -1.182 0.954 1.00 91.88 C -ATOM 648 CD1 LEU A 79 -11.008 -1.612 2.311 1.00 91.88 C -ATOM 649 CD2 LEU A 79 -8.969 -0.903 1.037 1.00 91.88 C -ATOM 650 N ALA A 80 -11.352 -3.768 -2.721 1.00 95.38 N -ATOM 651 CA ALA A 80 -11.180 -4.957 -3.547 1.00 95.38 C -ATOM 652 C ALA A 80 -10.664 -4.594 -4.938 1.00 95.38 C -ATOM 653 CB ALA A 80 -12.500 -5.723 -3.658 1.00 95.38 C -ATOM 654 O ALA A 80 -9.766 -5.254 -5.465 1.00 95.38 O -ATOM 655 N VAL A 81 -11.227 -3.582 -5.473 1.00 95.69 N -ATOM 656 CA VAL A 81 -10.773 -3.115 -6.781 1.00 95.69 C -ATOM 657 C VAL A 81 -9.320 -2.660 -6.695 1.00 95.69 C -ATOM 658 CB VAL A 81 -11.664 -1.965 -7.305 1.00 95.69 C -ATOM 659 O VAL A 81 -8.508 -3.002 -7.559 1.00 95.69 O -ATOM 660 CG1 VAL A 81 -11.062 -1.356 -8.570 1.00 95.69 C -ATOM 661 CG2 VAL A 81 -13.086 -2.465 -7.566 1.00 95.69 C -ATOM 662 N ALA A 82 -8.969 -1.927 -5.684 1.00 95.81 N -ATOM 663 CA ALA A 82 -7.602 -1.456 -5.457 1.00 95.81 C -ATOM 664 C ALA A 82 -6.625 -2.625 -5.371 1.00 95.81 C -ATOM 665 CB ALA A 82 -7.535 -0.615 -4.184 1.00 95.81 C -ATOM 666 O ALA A 82 -5.574 -2.611 -6.016 1.00 95.81 O -ATOM 667 N ASP A 83 -7.023 -3.611 -4.664 1.00 96.75 N -ATOM 668 CA ASP A 83 -6.168 -4.773 -4.441 1.00 96.75 C -ATOM 669 C ASP A 83 -5.957 -5.551 -5.738 1.00 96.75 C -ATOM 670 CB ASP A 83 -6.770 -5.688 -3.371 1.00 96.75 C -ATOM 671 O ASP A 83 -4.871 -6.082 -5.977 1.00 96.75 O -ATOM 672 CG ASP A 83 -6.715 -5.082 -1.979 1.00 96.75 C -ATOM 673 OD1 ASP A 83 -5.898 -4.164 -1.743 1.00 96.75 O -ATOM 674 OD2 ASP A 83 -7.492 -5.531 -1.108 1.00 96.75 O -ATOM 675 N LEU A 84 -6.949 -5.551 -6.562 1.00 96.94 N -ATOM 676 CA LEU A 84 -6.824 -6.258 -7.832 1.00 96.94 C -ATOM 677 C LEU A 84 -5.844 -5.539 -8.758 1.00 96.94 C -ATOM 678 CB LEU A 84 -8.188 -6.383 -8.516 1.00 96.94 C -ATOM 679 O LEU A 84 -5.133 -6.184 -9.531 1.00 96.94 O -ATOM 680 CG LEU A 84 -9.156 -7.402 -7.910 1.00 96.94 C -ATOM 681 CD1 LEU A 84 -10.531 -7.273 -8.555 1.00 96.94 C -ATOM 682 CD2 LEU A 84 -8.617 -8.820 -8.078 1.00 96.94 C -ATOM 683 N PHE A 85 -5.805 -4.211 -8.672 1.00 93.56 N -ATOM 684 CA PHE A 85 -4.797 -3.461 -9.414 1.00 93.56 C -ATOM 685 C PHE A 85 -3.395 -3.893 -9.000 1.00 93.56 C -ATOM 686 CB PHE A 85 -4.973 -1.956 -9.188 1.00 93.56 C -ATOM 687 O PHE A 85 -2.516 -4.055 -9.852 1.00 93.56 O -ATOM 688 CG PHE A 85 -5.883 -1.293 -10.180 1.00 93.56 C -ATOM 689 CD1 PHE A 85 -5.457 -1.062 -11.484 1.00 93.56 C -ATOM 690 CD2 PHE A 85 -7.164 -0.900 -9.820 1.00 93.56 C -ATOM 691 CE1 PHE A 85 -6.297 -0.449 -12.414 1.00 93.56 C -ATOM 692 CE2 PHE A 85 -8.008 -0.287 -10.742 1.00 93.56 C -ATOM 693 CZ PHE A 85 -7.574 -0.061 -12.031 1.00 93.56 C -ATOM 694 N MET A 86 -3.215 -4.105 -7.727 1.00 96.31 N -ATOM 695 CA MET A 86 -1.912 -4.516 -7.211 1.00 96.31 C -ATOM 696 C MET A 86 -1.565 -5.930 -7.672 1.00 96.31 C -ATOM 697 CB MET A 86 -1.887 -4.441 -5.684 1.00 96.31 C -ATOM 698 O MET A 86 -0.451 -6.180 -8.133 1.00 96.31 O -ATOM 699 CG MET A 86 -1.927 -3.023 -5.141 1.00 96.31 C -ATOM 700 SD MET A 86 -1.905 -2.975 -3.305 1.00 96.31 S -ATOM 701 CE MET A 86 -0.239 -3.619 -2.986 1.00 96.31 C -ATOM 702 N VAL A 87 -2.559 -6.727 -7.574 1.00 97.69 N -ATOM 703 CA VAL A 87 -2.336 -8.141 -7.848 1.00 97.69 C -ATOM 704 C VAL A 87 -2.027 -8.344 -9.328 1.00 97.69 C -ATOM 705 CB VAL A 87 -3.555 -9.000 -7.438 1.00 97.69 C -ATOM 706 O VAL A 87 -1.023 -8.969 -9.680 1.00 97.69 O -ATOM 707 CG1 VAL A 87 -3.398 -10.438 -7.934 1.00 97.69 C -ATOM 708 CG2 VAL A 87 -3.738 -8.977 -5.922 1.00 97.69 C -ATOM 709 N ILE A 88 -2.777 -7.719 -10.188 1.00 96.12 N -ATOM 710 CA ILE A 88 -2.686 -7.961 -11.625 1.00 96.12 C -ATOM 711 C ILE A 88 -1.503 -7.184 -12.203 1.00 96.12 C -ATOM 712 CB ILE A 88 -3.990 -7.566 -12.352 1.00 96.12 C -ATOM 713 O ILE A 88 -0.696 -7.738 -12.953 1.00 96.12 O -ATOM 714 CG1 ILE A 88 -5.145 -8.477 -11.906 1.00 96.12 C -ATOM 715 CG2 ILE A 88 -3.803 -7.621 -13.875 1.00 96.12 C -ATOM 716 CD1 ILE A 88 -6.516 -8.016 -12.383 1.00 96.12 C -ATOM 717 N GLY A 89 -1.399 -5.973 -11.797 1.00 93.12 N -ATOM 718 CA GLY A 89 -0.409 -5.102 -12.406 1.00 93.12 C -ATOM 719 C GLY A 89 0.911 -5.078 -11.656 1.00 93.12 C -ATOM 720 O GLY A 89 1.969 -4.891 -12.266 1.00 93.12 O -ATOM 721 N GLY A 90 0.910 -5.297 -10.359 1.00 95.44 N -ATOM 722 CA GLY A 90 2.100 -5.180 -9.531 1.00 95.44 C -ATOM 723 C GLY A 90 2.742 -6.516 -9.211 1.00 95.44 C -ATOM 724 O GLY A 90 3.832 -6.816 -9.703 1.00 95.44 O -ATOM 725 N PHE A 91 1.954 -7.445 -8.609 1.00 97.81 N -ATOM 726 CA PHE A 91 2.482 -8.703 -8.086 1.00 97.81 C -ATOM 727 C PHE A 91 2.896 -9.625 -9.227 1.00 97.81 C -ATOM 728 CB PHE A 91 1.444 -9.391 -7.199 1.00 97.81 C -ATOM 729 O PHE A 91 3.955 -10.258 -9.164 1.00 97.81 O -ATOM 730 CG PHE A 91 1.024 -8.578 -6.008 1.00 97.81 C -ATOM 731 CD1 PHE A 91 1.745 -7.449 -5.629 1.00 97.81 C -ATOM 732 CD2 PHE A 91 -0.093 -8.938 -5.266 1.00 97.81 C -ATOM 733 CE1 PHE A 91 1.358 -6.691 -4.527 1.00 97.81 C -ATOM 734 CE2 PHE A 91 -0.486 -8.180 -4.160 1.00 97.81 C -ATOM 735 CZ PHE A 91 0.242 -7.062 -3.795 1.00 97.81 C -ATOM 736 N THR A 92 2.086 -9.680 -10.266 1.00 98.00 N -ATOM 737 CA THR A 92 2.383 -10.570 -11.383 1.00 98.00 C -ATOM 738 C THR A 92 3.691 -10.172 -12.062 1.00 98.00 C -ATOM 739 CB THR A 92 1.243 -10.562 -12.422 1.00 98.00 C -ATOM 740 O THR A 92 4.512 -11.031 -12.391 1.00 98.00 O -ATOM 741 CG2 THR A 92 -0.039 -11.141 -11.828 1.00 98.00 C -ATOM 742 OG1 THR A 92 0.996 -9.219 -12.844 1.00 98.00 O -ATOM 743 N THR A 93 3.873 -8.883 -12.211 1.00 97.88 N -ATOM 744 CA THR A 93 5.086 -8.375 -12.844 1.00 97.88 C -ATOM 745 C THR A 93 6.305 -8.656 -11.969 1.00 97.88 C -ATOM 746 CB THR A 93 4.984 -6.867 -13.125 1.00 97.88 C -ATOM 747 O THR A 93 7.352 -9.078 -12.469 1.00 97.88 O -ATOM 748 CG2 THR A 93 6.242 -6.348 -13.812 1.00 97.88 C -ATOM 749 OG1 THR A 93 3.855 -6.621 -13.977 1.00 97.88 O -ATOM 750 N THR A 94 6.145 -8.445 -10.695 1.00 97.88 N -ATOM 751 CA THR A 94 7.234 -8.688 -9.750 1.00 97.88 C -ATOM 752 C THR A 94 7.594 -10.172 -9.719 1.00 97.88 C -ATOM 753 CB THR A 94 6.867 -8.211 -8.336 1.00 97.88 C -ATOM 754 O THR A 94 8.773 -10.531 -9.672 1.00 97.88 O -ATOM 755 CG2 THR A 94 8.023 -8.438 -7.363 1.00 97.88 C -ATOM 756 OG1 THR A 94 6.559 -6.812 -8.375 1.00 97.88 O -ATOM 757 N MET A 95 6.602 -10.969 -9.727 1.00 98.25 N -ATOM 758 CA MET A 95 6.828 -12.414 -9.742 1.00 98.25 C -ATOM 759 C MET A 95 7.609 -12.828 -10.984 1.00 98.25 C -ATOM 760 CB MET A 95 5.496 -13.164 -9.688 1.00 98.25 C -ATOM 761 O MET A 95 8.594 -13.562 -10.883 1.00 98.25 O -ATOM 762 CG MET A 95 5.648 -14.680 -9.648 1.00 98.25 C -ATOM 763 SD MET A 95 4.031 -15.547 -9.711 1.00 98.25 S -ATOM 764 CE MET A 95 3.646 -15.391 -11.477 1.00 98.25 C -ATOM 765 N TYR A 96 7.117 -12.359 -12.039 1.00 98.38 N -ATOM 766 CA TYR A 96 7.754 -12.688 -13.312 1.00 98.38 C -ATOM 767 C TYR A 96 9.195 -12.203 -13.344 1.00 98.38 C -ATOM 768 CB TYR A 96 6.969 -12.078 -14.477 1.00 98.38 C -ATOM 769 O TYR A 96 10.094 -12.930 -13.766 1.00 98.38 O -ATOM 770 CG TYR A 96 7.535 -12.422 -15.836 1.00 98.38 C -ATOM 771 CD1 TYR A 96 8.117 -11.438 -16.641 1.00 98.38 C -ATOM 772 CD2 TYR A 96 7.488 -13.727 -16.312 1.00 98.38 C -ATOM 773 CE1 TYR A 96 8.641 -11.750 -17.891 1.00 98.38 C -ATOM 774 CE2 TYR A 96 8.008 -14.047 -17.562 1.00 98.38 C -ATOM 775 OH TYR A 96 9.094 -13.367 -19.578 1.00 98.38 O -ATOM 776 CZ TYR A 96 8.578 -13.055 -18.344 1.00 98.38 C -ATOM 777 N SER A 97 9.469 -11.031 -12.961 1.00 98.25 N -ATOM 778 CA SER A 97 10.805 -10.445 -12.914 1.00 98.25 C -ATOM 779 C SER A 97 11.711 -11.195 -11.945 1.00 98.25 C -ATOM 780 CB SER A 97 10.734 -8.969 -12.523 1.00 98.25 C -ATOM 781 O SER A 97 12.898 -11.375 -12.203 1.00 98.25 O -ATOM 782 OG SER A 97 10.070 -8.219 -13.523 1.00 98.25 O -ATOM 783 N SER A 98 11.141 -11.656 -10.859 1.00 97.69 N -ATOM 784 CA SER A 98 11.906 -12.406 -9.859 1.00 97.69 C -ATOM 785 C SER A 98 12.375 -13.742 -10.422 1.00 97.69 C -ATOM 786 CB SER A 98 11.062 -12.641 -8.609 1.00 97.69 C -ATOM 787 O SER A 98 13.461 -14.219 -10.078 1.00 97.69 O -ATOM 788 OG SER A 98 10.742 -11.406 -7.980 1.00 97.69 O -ATOM 789 N MET A 99 11.633 -14.328 -11.305 1.00 97.19 N -ATOM 790 CA MET A 99 11.984 -15.594 -11.945 1.00 97.19 C -ATOM 791 C MET A 99 13.188 -15.430 -12.867 1.00 97.19 C -ATOM 792 CB MET A 99 10.789 -16.141 -12.727 1.00 97.19 C -ATOM 793 O MET A 99 13.930 -16.391 -13.102 1.00 97.19 O -ATOM 794 CG MET A 99 9.633 -16.594 -11.852 1.00 97.19 C -ATOM 795 SD MET A 99 8.125 -16.984 -12.828 1.00 97.19 S -ATOM 796 CE MET A 99 8.719 -18.438 -13.750 1.00 97.19 C -ATOM 797 N HIS A 100 13.414 -14.219 -13.281 1.00 97.56 N -ATOM 798 CA HIS A 100 14.531 -13.938 -14.188 1.00 97.56 C -ATOM 799 C HIS A 100 15.711 -13.336 -13.438 1.00 97.56 C -ATOM 800 CB HIS A 100 14.086 -13.000 -15.312 1.00 97.56 C -ATOM 801 O HIS A 100 16.828 -13.289 -13.961 1.00 97.56 O -ATOM 802 CG HIS A 100 13.188 -13.656 -16.312 1.00 97.56 C -ATOM 803 CD2 HIS A 100 13.438 -14.094 -17.578 1.00 97.56 C -ATOM 804 ND1 HIS A 100 11.859 -13.914 -16.062 1.00 97.56 N -ATOM 805 CE1 HIS A 100 11.320 -14.484 -17.141 1.00 97.56 C -ATOM 806 NE2 HIS A 100 12.258 -14.609 -18.062 1.00 97.56 N -ATOM 807 N GLY A 101 15.469 -12.836 -12.211 1.00 96.94 N -ATOM 808 CA GLY A 101 16.516 -12.281 -11.367 1.00 96.94 C -ATOM 809 C GLY A 101 16.781 -10.812 -11.625 1.00 96.94 C -ATOM 810 O GLY A 101 17.750 -10.250 -11.117 1.00 96.94 O -ATOM 811 N TYR A 102 16.031 -10.141 -12.414 1.00 96.44 N -ATOM 812 CA TYR A 102 16.094 -8.719 -12.703 1.00 96.44 C -ATOM 813 C TYR A 102 14.773 -8.219 -13.266 1.00 96.44 C -ATOM 814 CB TYR A 102 17.234 -8.414 -13.688 1.00 96.44 C -ATOM 815 O TYR A 102 13.859 -9.008 -13.523 1.00 96.44 O -ATOM 816 CG TYR A 102 16.938 -8.875 -15.102 1.00 96.44 C -ATOM 817 CD1 TYR A 102 16.750 -10.219 -15.391 1.00 96.44 C -ATOM 818 CD2 TYR A 102 16.844 -7.953 -16.141 1.00 96.44 C -ATOM 819 CE1 TYR A 102 16.484 -10.648 -16.688 1.00 96.44 C -ATOM 820 CE2 TYR A 102 16.578 -8.367 -17.438 1.00 96.44 C -ATOM 821 OH TYR A 102 16.141 -10.125 -19.000 1.00 96.44 O -ATOM 822 CZ TYR A 102 16.406 -9.711 -17.703 1.00 96.44 C -ATOM 823 N PHE A 103 14.633 -6.887 -13.383 1.00 97.94 N -ATOM 824 CA PHE A 103 13.398 -6.367 -13.953 1.00 97.94 C -ATOM 825 C PHE A 103 13.414 -6.484 -15.469 1.00 97.94 C -ATOM 826 CB PHE A 103 13.188 -4.906 -13.539 1.00 97.94 C -ATOM 827 O PHE A 103 13.914 -5.598 -16.156 1.00 97.94 O -ATOM 828 CG PHE A 103 11.750 -4.465 -13.578 1.00 97.94 C -ATOM 829 CD1 PHE A 103 11.234 -3.828 -14.703 1.00 97.94 C -ATOM 830 CD2 PHE A 103 10.914 -4.688 -12.492 1.00 97.94 C -ATOM 831 CE1 PHE A 103 9.906 -3.420 -14.742 1.00 97.94 C -ATOM 832 CE2 PHE A 103 9.586 -4.281 -12.523 1.00 97.94 C -ATOM 833 CZ PHE A 103 9.078 -3.646 -13.648 1.00 97.94 C -ATOM 834 N VAL A 104 12.750 -7.418 -16.078 1.00 97.12 N -ATOM 835 CA VAL A 104 12.930 -7.910 -17.453 1.00 97.12 C -ATOM 836 C VAL A 104 12.047 -7.117 -18.406 1.00 97.12 C -ATOM 837 CB VAL A 104 12.609 -9.422 -17.547 1.00 97.12 C -ATOM 838 O VAL A 104 12.281 -7.113 -19.609 1.00 97.12 O -ATOM 839 CG1 VAL A 104 11.148 -9.688 -17.188 1.00 97.12 C -ATOM 840 CG2 VAL A 104 12.922 -9.930 -18.953 1.00 97.12 C -ATOM 841 N LEU A 105 11.141 -6.371 -17.859 1.00 97.62 N -ATOM 842 CA LEU A 105 10.125 -5.750 -18.703 1.00 97.62 C -ATOM 843 C LEU A 105 10.555 -4.352 -19.125 1.00 97.62 C -ATOM 844 CB LEU A 105 8.781 -5.684 -17.969 1.00 97.62 C -ATOM 845 O LEU A 105 9.805 -3.646 -19.797 1.00 97.62 O -ATOM 846 CG LEU A 105 8.117 -7.023 -17.641 1.00 97.62 C -ATOM 847 CD1 LEU A 105 6.844 -6.805 -16.844 1.00 97.62 C -ATOM 848 CD2 LEU A 105 7.816 -7.793 -18.938 1.00 97.62 C -ATOM 849 N GLY A 106 11.719 -3.971 -18.734 1.00 97.44 N -ATOM 850 CA GLY A 106 12.258 -2.689 -19.156 1.00 97.44 C -ATOM 851 C GLY A 106 11.609 -1.509 -18.453 1.00 97.44 C -ATOM 852 O GLY A 106 10.844 -1.686 -17.516 1.00 97.44 O -ATOM 853 N ARG A 107 11.820 -0.318 -18.969 1.00 96.62 N -ATOM 854 CA ARG A 107 11.391 0.934 -18.344 1.00 96.62 C -ATOM 855 C ARG A 107 9.867 1.068 -18.391 1.00 96.62 C -ATOM 856 CB ARG A 107 12.039 2.129 -19.047 1.00 96.62 C -ATOM 857 O ARG A 107 9.250 1.455 -17.406 1.00 96.62 O -ATOM 858 CG ARG A 107 11.727 3.469 -18.406 1.00 96.62 C -ATOM 859 CD ARG A 107 12.289 3.562 -17.000 1.00 96.62 C -ATOM 860 NE ARG A 107 11.922 4.816 -16.344 1.00 96.62 N -ATOM 861 NH1 ARG A 107 13.422 4.598 -14.602 1.00 96.62 N -ATOM 862 NH2 ARG A 107 12.062 6.438 -14.727 1.00 96.62 N -ATOM 863 CZ ARG A 107 12.469 5.281 -15.227 1.00 96.62 C -ATOM 864 N LEU A 108 9.375 0.761 -19.531 1.00 97.38 N -ATOM 865 CA LEU A 108 7.922 0.856 -19.625 1.00 97.38 C -ATOM 866 C LEU A 108 7.246 -0.078 -18.625 1.00 97.38 C -ATOM 867 CB LEU A 108 7.465 0.524 -21.047 1.00 97.38 C -ATOM 868 O LEU A 108 6.289 0.314 -17.953 1.00 97.38 O -ATOM 869 CG LEU A 108 5.953 0.552 -21.297 1.00 97.38 C -ATOM 870 CD1 LEU A 108 5.391 1.935 -20.984 1.00 97.38 C -ATOM 871 CD2 LEU A 108 5.641 0.154 -22.734 1.00 97.38 C -ATOM 872 N GLY A 109 7.754 -1.286 -18.562 1.00 98.12 N -ATOM 873 CA GLY A 109 7.227 -2.229 -17.594 1.00 98.12 C -ATOM 874 C GLY A 109 7.371 -1.748 -16.156 1.00 98.12 C -ATOM 875 O GLY A 109 6.469 -1.932 -15.344 1.00 98.12 O -ATOM 876 N CYS A 110 8.438 -1.130 -15.883 1.00 98.31 N -ATOM 877 CA CYS A 110 8.688 -0.582 -14.555 1.00 98.31 C -ATOM 878 C CYS A 110 7.695 0.522 -14.219 1.00 98.31 C -ATOM 879 CB CYS A 110 10.117 -0.041 -14.461 1.00 98.31 C -ATOM 880 O CYS A 110 7.137 0.550 -13.117 1.00 98.31 O -ATOM 881 SG CYS A 110 10.547 0.589 -12.820 1.00 98.31 S -ATOM 882 N ASN A 111 7.410 1.360 -15.117 1.00 98.38 N -ATOM 883 CA ASN A 111 6.441 2.430 -14.906 1.00 98.38 C -ATOM 884 C ASN A 111 5.043 1.877 -14.664 1.00 98.38 C -ATOM 885 CB ASN A 111 6.434 3.387 -16.094 1.00 98.38 C -ATOM 886 O ASN A 111 4.336 2.336 -13.758 1.00 98.38 O -ATOM 887 CG ASN A 111 7.637 4.309 -16.125 1.00 98.38 C -ATOM 888 ND2 ASN A 111 7.973 4.824 -17.297 1.00 98.38 N -ATOM 889 OD1 ASN A 111 8.266 4.551 -15.086 1.00 98.38 O -ATOM 890 N LEU A 112 4.703 0.867 -15.469 1.00 98.31 N -ATOM 891 CA LEU A 112 3.373 0.285 -15.352 1.00 98.31 C -ATOM 892 C LEU A 112 3.219 -0.457 -14.023 1.00 98.31 C -ATOM 893 CB LEU A 112 3.100 -0.668 -16.516 1.00 98.31 C -ATOM 894 O LEU A 112 2.195 -0.322 -13.352 1.00 98.31 O -ATOM 895 CG LEU A 112 2.916 -0.022 -17.891 1.00 98.31 C -ATOM 896 CD1 LEU A 112 2.807 -1.094 -18.969 1.00 98.31 C -ATOM 897 CD2 LEU A 112 1.686 0.878 -17.891 1.00 98.31 C -ATOM 898 N GLU A 113 4.305 -1.194 -13.758 1.00 98.06 N -ATOM 899 CA GLU A 113 4.270 -1.928 -12.492 1.00 98.06 C -ATOM 900 C GLU A 113 4.227 -0.975 -11.305 1.00 98.06 C -ATOM 901 CB GLU A 113 5.480 -2.857 -12.375 1.00 98.06 C -ATOM 902 O GLU A 113 3.404 -1.139 -10.398 1.00 98.06 O -ATOM 903 CG GLU A 113 5.438 -3.781 -11.172 1.00 98.06 C -ATOM 904 CD GLU A 113 5.988 -3.143 -9.906 1.00 98.06 C -ATOM 905 OE1 GLU A 113 5.637 -3.596 -8.797 1.00 98.06 O -ATOM 906 OE2 GLU A 113 6.781 -2.182 -10.031 1.00 98.06 O -ATOM 907 N GLY A 114 5.152 -0.020 -11.273 1.00 98.06 N -ATOM 908 CA GLY A 114 5.195 0.959 -10.203 1.00 98.06 C -ATOM 909 C GLY A 114 3.898 1.729 -10.039 1.00 98.06 C -ATOM 910 O GLY A 114 3.424 1.936 -8.922 1.00 98.06 O -ATOM 911 N PHE A 115 3.301 2.092 -11.133 1.00 98.38 N -ATOM 912 CA PHE A 115 2.035 2.814 -11.133 1.00 98.38 C -ATOM 913 C PHE A 115 0.920 1.962 -10.539 1.00 98.38 C -ATOM 914 CB PHE A 115 1.663 3.246 -12.555 1.00 98.38 C -ATOM 915 O PHE A 115 0.187 2.416 -9.656 1.00 98.38 O -ATOM 916 CG PHE A 115 0.284 3.836 -12.672 1.00 98.38 C -ATOM 917 CD1 PHE A 115 -0.799 3.043 -13.031 1.00 98.38 C -ATOM 918 CD2 PHE A 115 0.070 5.184 -12.422 1.00 98.38 C -ATOM 919 CE1 PHE A 115 -2.076 3.588 -13.141 1.00 98.38 C -ATOM 920 CE2 PHE A 115 -1.203 5.734 -12.523 1.00 98.38 C -ATOM 921 CZ PHE A 115 -2.275 4.938 -12.883 1.00 98.38 C -ATOM 922 N SER A 116 0.797 0.775 -11.039 1.00 97.56 N -ATOM 923 CA SER A 116 -0.281 -0.114 -10.617 1.00 97.56 C -ATOM 924 C SER A 116 -0.178 -0.442 -9.133 1.00 97.56 C -ATOM 925 CB SER A 116 -0.262 -1.405 -11.438 1.00 97.56 C -ATOM 926 O SER A 116 -1.178 -0.405 -8.414 1.00 97.56 O -ATOM 927 OG SER A 116 -0.520 -1.139 -12.805 1.00 97.56 O -ATOM 928 N ALA A 117 1.055 -0.747 -8.695 1.00 96.62 N -ATOM 929 CA ALA A 117 1.265 -1.110 -7.301 1.00 96.62 C -ATOM 930 C ALA A 117 1.001 0.077 -6.379 1.00 96.62 C -ATOM 931 CB ALA A 117 2.684 -1.635 -7.094 1.00 96.62 C -ATOM 932 O ALA A 117 0.320 -0.058 -5.359 1.00 96.62 O -ATOM 933 N THR A 118 1.463 1.198 -6.777 1.00 96.75 N -ATOM 934 CA THR A 118 1.311 2.398 -5.965 1.00 96.75 C -ATOM 935 C THR A 118 -0.143 2.863 -5.953 1.00 96.75 C -ATOM 936 CB THR A 118 2.213 3.537 -6.473 1.00 96.75 C -ATOM 937 O THR A 118 -0.671 3.240 -4.902 1.00 96.75 O -ATOM 938 CG2 THR A 118 2.127 4.758 -5.559 1.00 96.75 C -ATOM 939 OG1 THR A 118 3.570 3.082 -6.516 1.00 96.75 O -ATOM 940 N LEU A 119 -0.767 2.795 -7.102 1.00 97.81 N -ATOM 941 CA LEU A 119 -2.168 3.184 -7.203 1.00 97.81 C -ATOM 942 C LEU A 119 -3.037 2.332 -6.281 1.00 97.81 C -ATOM 943 CB LEU A 119 -2.658 3.055 -8.648 1.00 97.81 C -ATOM 944 O LEU A 119 -3.830 2.865 -5.500 1.00 97.81 O -ATOM 945 CG LEU A 119 -4.105 3.477 -8.914 1.00 97.81 C -ATOM 946 CD1 LEU A 119 -4.281 4.965 -8.641 1.00 97.81 C -ATOM 947 CD2 LEU A 119 -4.504 3.143 -10.344 1.00 97.81 C -ATOM 948 N GLY A 120 -2.857 1.039 -6.430 1.00 96.38 N -ATOM 949 CA GLY A 120 -3.607 0.138 -5.570 1.00 96.38 C -ATOM 950 C GLY A 120 -3.342 0.364 -4.094 1.00 96.38 C -ATOM 951 O GLY A 120 -4.273 0.392 -3.287 1.00 96.38 O -ATOM 952 N GLY A 121 -2.102 0.538 -3.766 1.00 94.75 N -ATOM 953 CA GLY A 121 -1.731 0.808 -2.387 1.00 94.75 C -ATOM 954 C GLY A 121 -2.332 2.092 -1.847 1.00 94.75 C -ATOM 955 O GLY A 121 -2.855 2.119 -0.731 1.00 94.75 O -ATOM 956 N MET A 122 -2.352 3.096 -2.639 1.00 95.88 N -ATOM 957 CA MET A 122 -2.840 4.402 -2.207 1.00 95.88 C -ATOM 958 C MET A 122 -4.359 4.406 -2.098 1.00 95.88 C -ATOM 959 CB MET A 122 -2.383 5.496 -3.174 1.00 95.88 C -ATOM 960 O MET A 122 -4.918 4.984 -1.163 1.00 95.88 O -ATOM 961 CG MET A 122 -0.896 5.797 -3.098 1.00 95.88 C -ATOM 962 SD MET A 122 -0.373 6.336 -1.423 1.00 95.88 S -ATOM 963 CE MET A 122 1.430 6.270 -1.612 1.00 95.88 C -ATOM 964 N ILE A 123 -5.012 3.787 -3.059 1.00 96.62 N -ATOM 965 CA ILE A 123 -6.465 3.682 -2.963 1.00 96.62 C -ATOM 966 C ILE A 123 -6.844 2.953 -1.676 1.00 96.62 C -ATOM 967 CB ILE A 123 -7.059 2.951 -4.188 1.00 96.62 C -ATOM 968 O ILE A 123 -7.758 3.377 -0.963 1.00 96.62 O -ATOM 969 CG1 ILE A 123 -6.871 3.795 -5.453 1.00 96.62 C -ATOM 970 CG2 ILE A 123 -8.539 2.629 -3.957 1.00 96.62 C -ATOM 971 CD1 ILE A 123 -7.270 3.078 -6.738 1.00 96.62 C -ATOM 972 N SER A 124 -6.129 1.897 -1.427 1.00 93.31 N -ATOM 973 CA SER A 124 -6.395 1.113 -0.225 1.00 93.31 C -ATOM 974 C SER A 124 -6.148 1.933 1.036 1.00 93.31 C -ATOM 975 CB SER A 124 -5.527 -0.146 -0.203 1.00 93.31 C -ATOM 976 O SER A 124 -6.969 1.927 1.957 1.00 93.31 O -ATOM 977 OG SER A 124 -5.781 -0.911 0.963 1.00 93.31 O -ATOM 978 N LEU A 125 -5.082 2.590 1.087 1.00 93.50 N -ATOM 979 CA LEU A 125 -4.691 3.406 2.230 1.00 93.50 C -ATOM 980 C LEU A 125 -5.730 4.484 2.510 1.00 93.50 C -ATOM 981 CB LEU A 125 -3.324 4.051 1.986 1.00 93.50 C -ATOM 982 O LEU A 125 -6.195 4.629 3.643 1.00 93.50 O -ATOM 983 CG LEU A 125 -2.707 4.801 3.168 1.00 93.50 C -ATOM 984 CD1 LEU A 125 -1.186 4.727 3.107 1.00 93.50 C -ATOM 985 CD2 LEU A 125 -3.176 6.250 3.182 1.00 93.50 C -ATOM 986 N TRP A 126 -6.141 5.203 1.552 1.00 95.81 N -ATOM 987 CA TRP A 126 -7.105 6.285 1.731 1.00 95.81 C -ATOM 988 C TRP A 126 -8.500 5.730 1.995 1.00 95.81 C -ATOM 989 CB TRP A 126 -7.125 7.195 0.501 1.00 95.81 C -ATOM 990 O TRP A 126 -9.320 6.379 2.650 1.00 95.81 O -ATOM 991 CG TRP A 126 -6.059 8.250 0.503 1.00 95.81 C -ATOM 992 CD1 TRP A 126 -4.910 8.258 -0.240 1.00 95.81 C -ATOM 993 CD2 TRP A 126 -6.039 9.438 1.292 1.00 95.81 C -ATOM 994 CE2 TRP A 126 -4.848 10.133 0.975 1.00 95.81 C -ATOM 995 CE3 TRP A 126 -6.910 9.992 2.236 1.00 95.81 C -ATOM 996 NE1 TRP A 126 -4.180 9.391 0.038 1.00 95.81 N -ATOM 997 CH2 TRP A 126 -5.379 11.867 2.490 1.00 95.81 C -ATOM 998 CZ2 TRP A 126 -4.508 11.352 1.570 1.00 95.81 C -ATOM 999 CZ3 TRP A 126 -6.574 11.211 2.828 1.00 95.81 C -ATOM 1000 N SER A 127 -8.742 4.547 1.472 1.00 94.12 N -ATOM 1001 CA SER A 127 -10.008 3.891 1.784 1.00 94.12 C -ATOM 1002 C SER A 127 -10.133 3.607 3.277 1.00 94.12 C -ATOM 1003 CB SER A 127 -10.148 2.588 0.995 1.00 94.12 C -ATOM 1004 O SER A 127 -11.203 3.771 3.859 1.00 94.12 O -ATOM 1005 OG SER A 127 -10.258 2.852 -0.393 1.00 94.12 O -ATOM 1006 N LEU A 128 -9.062 3.264 3.867 1.00 92.06 N -ATOM 1007 CA LEU A 128 -9.055 3.014 5.305 1.00 92.06 C -ATOM 1008 C LEU A 128 -9.289 4.305 6.082 1.00 92.06 C -ATOM 1009 CB LEU A 128 -7.730 2.379 5.734 1.00 92.06 C -ATOM 1010 O LEU A 128 -9.969 4.301 7.109 1.00 92.06 O -ATOM 1011 CG LEU A 128 -7.461 0.959 5.230 1.00 92.06 C -ATOM 1012 CD1 LEU A 128 -6.090 0.481 5.695 1.00 92.06 C -ATOM 1013 CD2 LEU A 128 -8.555 0.008 5.703 1.00 92.06 C -ATOM 1014 N ALA A 129 -8.750 5.352 5.586 1.00 94.81 N -ATOM 1015 CA ALA A 129 -8.969 6.656 6.207 1.00 94.81 C -ATOM 1016 C ALA A 129 -10.438 7.066 6.117 1.00 94.81 C -ATOM 1017 CB ALA A 129 -8.078 7.711 5.555 1.00 94.81 C -ATOM 1018 O ALA A 129 -11.023 7.516 7.105 1.00 94.81 O -ATOM 1019 N VAL A 130 -10.961 6.930 4.953 1.00 94.50 N -ATOM 1020 CA VAL A 130 -12.367 7.270 4.730 1.00 94.50 C -ATOM 1021 C VAL A 130 -13.258 6.395 5.609 1.00 94.50 C -ATOM 1022 CB VAL A 130 -12.758 7.113 3.246 1.00 94.50 C -ATOM 1023 O VAL A 130 -14.242 6.875 6.180 1.00 94.50 O -ATOM 1024 CG1 VAL A 130 -14.273 7.199 3.080 1.00 94.50 C -ATOM 1025 CG2 VAL A 130 -12.062 8.172 2.395 1.00 94.50 C -ATOM 1026 N LEU A 131 -12.898 5.203 5.727 1.00 91.62 N -ATOM 1027 CA LEU A 131 -13.633 4.285 6.586 1.00 91.62 C -ATOM 1028 C LEU A 131 -13.609 4.754 8.031 1.00 91.62 C -ATOM 1029 CB LEU A 131 -13.055 2.871 6.484 1.00 91.62 C -ATOM 1030 O LEU A 131 -14.633 4.703 8.727 1.00 91.62 O -ATOM 1031 CG LEU A 131 -13.781 1.780 7.270 1.00 91.62 C -ATOM 1032 CD1 LEU A 131 -15.219 1.643 6.777 1.00 91.62 C -ATOM 1033 CD2 LEU A 131 -13.047 0.452 7.156 1.00 91.62 C -ATOM 1034 N ALA A 132 -12.508 5.160 8.508 1.00 93.19 N -ATOM 1035 CA ALA A 132 -12.375 5.680 9.867 1.00 93.19 C -ATOM 1036 C ALA A 132 -13.281 6.891 10.086 1.00 93.19 C -ATOM 1037 CB ALA A 132 -10.922 6.043 10.164 1.00 93.19 C -ATOM 1038 O ALA A 132 -13.945 7.004 11.117 1.00 93.19 O -ATOM 1039 N ILE A 133 -13.320 7.754 9.125 1.00 93.19 N -ATOM 1040 CA ILE A 133 -14.156 8.945 9.188 1.00 93.19 C -ATOM 1041 C ILE A 133 -15.625 8.539 9.227 1.00 93.19 C -ATOM 1042 CB ILE A 133 -13.891 9.891 7.996 1.00 93.19 C -ATOM 1043 O ILE A 133 -16.406 9.055 10.039 1.00 93.19 O -ATOM 1044 CG1 ILE A 133 -12.492 10.516 8.109 1.00 93.19 C -ATOM 1045 CG2 ILE A 133 -14.969 10.977 7.906 1.00 93.19 C -ATOM 1046 CD1 ILE A 133 -12.039 11.250 6.859 1.00 93.19 C -ATOM 1047 N GLU A 134 -15.891 7.719 8.320 1.00 90.62 N -ATOM 1048 CA GLU A 134 -17.266 7.234 8.234 1.00 90.62 C -ATOM 1049 C GLU A 134 -17.734 6.672 9.578 1.00 90.62 C -ATOM 1050 CB GLU A 134 -17.391 6.172 7.145 1.00 90.62 C -ATOM 1051 O GLU A 134 -18.828 6.984 10.039 1.00 90.62 O -ATOM 1052 CG GLU A 134 -18.797 5.602 7.008 1.00 90.62 C -ATOM 1053 CD GLU A 134 -18.844 4.086 7.098 1.00 90.62 C -ATOM 1054 OE1 GLU A 134 -19.828 3.537 7.641 1.00 90.62 O -ATOM 1055 OE2 GLU A 134 -17.891 3.439 6.621 1.00 90.62 O -ATOM 1056 N ARG A 135 -17.031 5.828 10.188 1.00 90.25 N -ATOM 1057 CA ARG A 135 -17.391 5.191 11.453 1.00 90.25 C -ATOM 1058 C ARG A 135 -17.516 6.219 12.570 1.00 90.25 C -ATOM 1059 CB ARG A 135 -16.359 4.121 11.828 1.00 90.25 C -ATOM 1060 O ARG A 135 -18.422 6.129 13.406 1.00 90.25 O -ATOM 1061 CG ARG A 135 -16.484 2.836 11.023 1.00 90.25 C -ATOM 1062 CD ARG A 135 -15.617 1.728 11.602 1.00 90.25 C -ATOM 1063 NE ARG A 135 -15.883 0.446 10.953 1.00 90.25 N -ATOM 1064 NH1 ARG A 135 -14.555 -0.786 12.391 1.00 90.25 N -ATOM 1065 NH2 ARG A 135 -15.680 -1.826 10.680 1.00 90.25 N -ATOM 1066 CZ ARG A 135 -15.367 -0.719 11.344 1.00 90.25 C -ATOM 1067 N TRP A 136 -16.641 7.078 12.531 1.00 90.81 N -ATOM 1068 CA TRP A 136 -16.672 8.133 13.539 1.00 90.81 C -ATOM 1069 C TRP A 136 -17.922 8.992 13.398 1.00 90.81 C -ATOM 1070 CB TRP A 136 -15.414 9.008 13.438 1.00 90.81 C -ATOM 1071 O TRP A 136 -18.625 9.234 14.375 1.00 90.81 O -ATOM 1072 CG TRP A 136 -15.469 10.250 14.273 1.00 90.81 C -ATOM 1073 CD1 TRP A 136 -15.891 10.359 15.570 1.00 90.81 C -ATOM 1074 CD2 TRP A 136 -15.102 11.570 13.859 1.00 90.81 C -ATOM 1075 CE2 TRP A 136 -15.320 12.430 14.961 1.00 90.81 C -ATOM 1076 CE3 TRP A 136 -14.602 12.117 12.672 1.00 90.81 C -ATOM 1077 NE1 TRP A 136 -15.805 11.664 15.992 1.00 90.81 N -ATOM 1078 CH2 TRP A 136 -14.570 14.305 13.727 1.00 90.81 C -ATOM 1079 CZ2 TRP A 136 -15.055 13.805 14.906 1.00 90.81 C -ATOM 1080 CZ3 TRP A 136 -14.336 13.477 12.617 1.00 90.81 C -ATOM 1081 N VAL A 137 -18.250 9.453 12.227 1.00 89.19 N -ATOM 1082 CA VAL A 137 -19.375 10.344 11.961 1.00 89.19 C -ATOM 1083 C VAL A 137 -20.688 9.625 12.273 1.00 89.19 C -ATOM 1084 CB VAL A 137 -19.375 10.828 10.492 1.00 89.19 C -ATOM 1085 O VAL A 137 -21.594 10.203 12.883 1.00 89.19 O -ATOM 1086 CG1 VAL A 137 -20.703 11.500 10.148 1.00 89.19 C -ATOM 1087 CG2 VAL A 137 -18.219 11.781 10.250 1.00 89.19 C -ATOM 1088 N VAL A 138 -20.781 8.367 11.906 1.00 86.75 N -ATOM 1089 CA VAL A 138 -22.016 7.598 12.055 1.00 86.75 C -ATOM 1090 C VAL A 138 -22.266 7.301 13.531 1.00 86.75 C -ATOM 1091 CB VAL A 138 -21.953 6.281 11.250 1.00 86.75 C -ATOM 1092 O VAL A 138 -23.391 7.398 14.008 1.00 86.75 O -ATOM 1093 CG1 VAL A 138 -23.125 5.367 11.633 1.00 86.75 C -ATOM 1094 CG2 VAL A 138 -21.984 6.574 9.750 1.00 86.75 C -ATOM 1095 N VAL A 139 -21.234 7.062 14.281 1.00 84.81 N -ATOM 1096 CA VAL A 139 -21.406 6.617 15.664 1.00 84.81 C -ATOM 1097 C VAL A 139 -21.359 7.820 16.594 1.00 84.81 C -ATOM 1098 CB VAL A 139 -20.312 5.590 16.062 1.00 84.81 C -ATOM 1099 O VAL A 139 -22.156 7.906 17.547 1.00 84.81 O -ATOM 1100 CG1 VAL A 139 -20.438 5.227 17.547 1.00 84.81 C -ATOM 1101 CG2 VAL A 139 -20.422 4.340 15.195 1.00 84.81 C -ATOM 1102 N CYS A 140 -20.469 8.688 16.422 1.00 85.12 N -ATOM 1103 CA CYS A 140 -20.188 9.727 17.406 1.00 85.12 C -ATOM 1104 C CYS A 140 -21.016 10.977 17.109 1.00 85.12 C -ATOM 1105 CB CYS A 140 -18.703 10.078 17.422 1.00 85.12 C -ATOM 1106 O CYS A 140 -21.219 11.812 18.000 1.00 85.12 O -ATOM 1107 SG CYS A 140 -17.641 8.719 17.984 1.00 85.12 S -ATOM 1108 N LYS A 141 -21.547 11.125 15.969 1.00 75.62 N -ATOM 1109 CA LYS A 141 -22.297 12.336 15.656 1.00 75.62 C -ATOM 1110 C LYS A 141 -23.688 11.992 15.117 1.00 75.62 C -ATOM 1111 CB LYS A 141 -21.547 13.188 14.641 1.00 75.62 C -ATOM 1112 O LYS A 141 -23.984 12.203 13.938 1.00 75.62 O -ATOM 1113 CG LYS A 141 -20.297 13.859 15.195 1.00 75.62 C -ATOM 1114 CD LYS A 141 -19.859 15.031 14.328 1.00 75.62 C -ATOM 1115 CE LYS A 141 -18.656 15.758 14.938 1.00 75.62 C -ATOM 1116 NZ LYS A 141 -18.297 16.969 14.148 1.00 75.62 N -ATOM 1117 N PRO A 142 -24.469 11.367 15.969 1.00 67.25 N -ATOM 1118 CA PRO A 142 -25.766 11.094 15.367 1.00 67.25 C -ATOM 1119 C PRO A 142 -26.672 12.328 15.344 1.00 67.25 C -ATOM 1120 CB PRO A 142 -26.359 10.000 16.266 1.00 67.25 C -ATOM 1121 O PRO A 142 -26.906 12.945 16.391 1.00 67.25 O -ATOM 1122 CG PRO A 142 -25.562 10.078 17.531 1.00 67.25 C -ATOM 1123 CD PRO A 142 -24.281 10.828 17.250 1.00 67.25 C -ATOM 1124 N THR A 143 -26.406 13.398 14.586 1.00 64.75 N -ATOM 1125 CA THR A 143 -27.406 14.453 14.508 1.00 64.75 C -ATOM 1126 C THR A 143 -28.781 13.875 14.195 1.00 64.75 C -ATOM 1127 CB THR A 143 -27.031 15.500 13.438 1.00 64.75 C -ATOM 1128 O THR A 143 -28.891 12.836 13.547 1.00 64.75 O -ATOM 1129 CG2 THR A 143 -25.797 16.297 13.859 1.00 64.75 C -ATOM 1130 OG1 THR A 143 -26.750 14.828 12.203 1.00 64.75 O -ATOM 1131 N SER A 144 -29.828 14.062 14.930 1.00 66.50 N -ATOM 1132 CA SER A 144 -31.188 13.555 14.797 1.00 66.50 C -ATOM 1133 C SER A 144 -31.594 13.438 13.328 1.00 66.50 C -ATOM 1134 CB SER A 144 -32.188 14.469 15.523 1.00 66.50 C -ATOM 1135 O SER A 144 -32.250 12.477 12.938 1.00 66.50 O -ATOM 1136 OG SER A 144 -32.656 15.469 14.656 1.00 66.50 O -ATOM 1137 N ASN A 145 -30.766 14.023 12.336 1.00 70.75 N -ATOM 1138 CA ASN A 145 -31.203 13.930 10.945 1.00 70.75 C -ATOM 1139 C ASN A 145 -30.062 13.445 10.039 1.00 70.75 C -ATOM 1140 CB ASN A 145 -31.734 15.273 10.453 1.00 70.75 C -ATOM 1141 O ASN A 145 -30.250 13.312 8.828 1.00 70.75 O -ATOM 1142 CG ASN A 145 -33.125 15.578 10.992 1.00 70.75 C -ATOM 1143 ND2 ASN A 145 -33.469 16.859 11.016 1.00 70.75 N -ATOM 1144 OD1 ASN A 145 -33.875 14.680 11.383 1.00 70.75 O -ATOM 1145 N PHE A 146 -28.875 13.133 10.555 1.00 79.25 N -ATOM 1146 CA PHE A 146 -27.797 12.750 9.648 1.00 79.25 C -ATOM 1147 C PHE A 146 -27.781 11.234 9.445 1.00 79.25 C -ATOM 1148 CB PHE A 146 -26.438 13.219 10.180 1.00 79.25 C -ATOM 1149 O PHE A 146 -27.766 10.477 10.414 1.00 79.25 O -ATOM 1150 CG PHE A 146 -25.281 12.797 9.336 1.00 79.25 C -ATOM 1151 CD1 PHE A 146 -24.484 11.711 9.711 1.00 79.25 C -ATOM 1152 CD2 PHE A 146 -24.953 13.477 8.172 1.00 79.25 C -ATOM 1153 CE1 PHE A 146 -23.406 11.312 8.930 1.00 79.25 C -ATOM 1154 CE2 PHE A 146 -23.875 13.086 7.387 1.00 79.25 C -ATOM 1155 CZ PHE A 146 -23.094 12.008 7.770 1.00 79.25 C -ATOM 1156 N ARG A 147 -27.859 10.891 8.203 1.00 79.94 N -ATOM 1157 CA ARG A 147 -27.672 9.500 7.785 1.00 79.94 C -ATOM 1158 C ARG A 147 -26.609 9.391 6.707 1.00 79.94 C -ATOM 1159 CB ARG A 147 -28.984 8.914 7.277 1.00 79.94 C -ATOM 1160 O ARG A 147 -26.609 10.148 5.734 1.00 79.94 O -ATOM 1161 CG ARG A 147 -28.953 7.410 7.047 1.00 79.94 C -ATOM 1162 CD ARG A 147 -30.297 6.863 6.633 1.00 79.94 C -ATOM 1163 NE ARG A 147 -30.234 5.441 6.293 1.00 79.94 N -ATOM 1164 NH1 ARG A 147 -32.469 5.246 5.750 1.00 79.94 N -ATOM 1165 NH2 ARG A 147 -31.078 3.426 5.605 1.00 79.94 N -ATOM 1166 CZ ARG A 147 -31.266 4.707 5.883 1.00 79.94 C -ATOM 1167 N PHE A 148 -25.641 8.609 6.996 1.00 84.25 N -ATOM 1168 CA PHE A 148 -24.656 8.328 5.953 1.00 84.25 C -ATOM 1169 C PHE A 148 -25.312 7.621 4.773 1.00 84.25 C -ATOM 1170 CB PHE A 148 -23.516 7.477 6.508 1.00 84.25 C -ATOM 1171 O PHE A 148 -25.734 6.469 4.891 1.00 84.25 O -ATOM 1172 CG PHE A 148 -22.297 7.445 5.625 1.00 84.25 C -ATOM 1173 CD1 PHE A 148 -22.156 6.480 4.633 1.00 84.25 C -ATOM 1174 CD2 PHE A 148 -21.281 8.383 5.781 1.00 84.25 C -ATOM 1175 CE1 PHE A 148 -21.031 6.449 3.812 1.00 84.25 C -ATOM 1176 CE2 PHE A 148 -20.156 8.359 4.965 1.00 84.25 C -ATOM 1177 CZ PHE A 148 -20.031 7.391 3.982 1.00 84.25 C -ATOM 1178 N GLY A 149 -25.281 8.367 3.721 1.00 90.19 N -ATOM 1179 CA GLY A 149 -25.953 7.805 2.562 1.00 90.19 C -ATOM 1180 C GLY A 149 -25.031 7.555 1.392 1.00 90.19 C -ATOM 1181 O GLY A 149 -23.797 7.594 1.544 1.00 90.19 O -ATOM 1182 N GLU A 150 -25.578 7.328 0.189 1.00 90.00 N -ATOM 1183 CA GLU A 150 -24.875 6.945 -1.028 1.00 90.00 C -ATOM 1184 C GLU A 150 -23.969 8.078 -1.521 1.00 90.00 C -ATOM 1185 CB GLU A 150 -25.859 6.543 -2.125 1.00 90.00 C -ATOM 1186 O GLU A 150 -22.844 7.840 -1.973 1.00 90.00 O -ATOM 1187 CG GLU A 150 -26.500 5.180 -1.907 1.00 90.00 C -ATOM 1188 CD GLU A 150 -27.422 4.758 -3.039 1.00 90.00 C -ATOM 1189 OE1 GLU A 150 -28.000 3.654 -2.971 1.00 90.00 O -ATOM 1190 OE2 GLU A 150 -27.562 5.543 -4.004 1.00 90.00 O -ATOM 1191 N ASN A 151 -24.469 9.266 -1.412 1.00 91.81 N -ATOM 1192 CA ASN A 151 -23.688 10.406 -1.886 1.00 91.81 C -ATOM 1193 C ASN A 151 -22.391 10.562 -1.095 1.00 91.81 C -ATOM 1194 CB ASN A 151 -24.516 11.688 -1.815 1.00 91.81 C -ATOM 1195 O ASN A 151 -21.344 10.875 -1.666 1.00 91.81 O -ATOM 1196 CG ASN A 151 -25.641 11.719 -2.842 1.00 91.81 C -ATOM 1197 ND2 ASN A 151 -26.688 12.477 -2.551 1.00 91.81 N -ATOM 1198 OD1 ASN A 151 -25.547 11.070 -3.889 1.00 91.81 O -ATOM 1199 N HIS A 152 -22.562 10.328 0.188 1.00 91.75 N -ATOM 1200 CA HIS A 152 -21.391 10.422 1.038 1.00 91.75 C -ATOM 1201 C HIS A 152 -20.375 9.320 0.711 1.00 91.75 C -ATOM 1202 CB HIS A 152 -21.781 10.352 2.514 1.00 91.75 C -ATOM 1203 O HIS A 152 -19.172 9.570 0.669 1.00 91.75 O -ATOM 1204 CG HIS A 152 -22.672 11.469 2.951 1.00 91.75 C -ATOM 1205 CD2 HIS A 152 -22.391 12.727 3.361 1.00 91.75 C -ATOM 1206 ND1 HIS A 152 -24.047 11.344 3.004 1.00 91.75 N -ATOM 1207 CE1 HIS A 152 -24.562 12.484 3.426 1.00 91.75 C -ATOM 1208 NE2 HIS A 152 -23.578 13.336 3.650 1.00 91.75 N -ATOM 1209 N ALA A 153 -20.859 8.164 0.488 1.00 91.81 N -ATOM 1210 CA ALA A 153 -20.000 7.039 0.120 1.00 91.81 C -ATOM 1211 C ALA A 153 -19.297 7.301 -1.205 1.00 91.81 C -ATOM 1212 CB ALA A 153 -20.812 5.750 0.038 1.00 91.81 C -ATOM 1213 O ALA A 153 -18.094 7.062 -1.331 1.00 91.81 O -ATOM 1214 N ILE A 154 -19.969 7.820 -2.154 1.00 92.94 N -ATOM 1215 CA ILE A 154 -19.406 8.117 -3.465 1.00 92.94 C -ATOM 1216 C ILE A 154 -18.344 9.211 -3.336 1.00 92.94 C -ATOM 1217 CB ILE A 154 -20.516 8.555 -4.465 1.00 92.94 C -ATOM 1218 O ILE A 154 -17.297 9.133 -3.973 1.00 92.94 O -ATOM 1219 CG1 ILE A 154 -21.438 7.379 -4.793 1.00 92.94 C -ATOM 1220 CG2 ILE A 154 -19.875 9.133 -5.738 1.00 92.94 C -ATOM 1221 CD1 ILE A 154 -22.672 7.770 -5.578 1.00 92.94 C -ATOM 1222 N MET A 155 -18.672 10.133 -2.520 1.00 94.25 N -ATOM 1223 CA MET A 155 -17.703 11.188 -2.252 1.00 94.25 C -ATOM 1224 C MET A 155 -16.422 10.602 -1.669 1.00 94.25 C -ATOM 1225 CB MET A 155 -18.281 12.227 -1.297 1.00 94.25 C -ATOM 1226 O MET A 155 -15.312 10.984 -2.070 1.00 94.25 O -ATOM 1227 CG MET A 155 -19.297 13.148 -1.943 1.00 94.25 C -ATOM 1228 SD MET A 155 -20.109 14.258 -0.729 1.00 94.25 S -ATOM 1229 CE MET A 155 -18.672 15.148 -0.086 1.00 94.25 C -ATOM 1230 N GLY A 156 -16.625 9.711 -0.721 1.00 95.06 N -ATOM 1231 CA GLY A 156 -15.477 9.047 -0.120 1.00 95.06 C -ATOM 1232 C GLY A 156 -14.656 8.258 -1.119 1.00 95.06 C -ATOM 1233 O GLY A 156 -13.422 8.359 -1.139 1.00 95.06 O -ATOM 1234 N VAL A 157 -15.281 7.531 -1.958 1.00 95.81 N -ATOM 1235 CA VAL A 157 -14.609 6.727 -2.973 1.00 95.81 C -ATOM 1236 C VAL A 157 -13.898 7.641 -3.969 1.00 95.81 C -ATOM 1237 CB VAL A 157 -15.602 5.801 -3.715 1.00 95.81 C -ATOM 1238 O VAL A 157 -12.750 7.379 -4.348 1.00 95.81 O -ATOM 1239 CG1 VAL A 157 -14.938 5.152 -4.926 1.00 95.81 C -ATOM 1240 CG2 VAL A 157 -16.141 4.734 -2.766 1.00 95.81 C -ATOM 1241 N SER A 158 -14.586 8.664 -4.344 1.00 96.50 N -ATOM 1242 CA SER A 158 -13.992 9.617 -5.273 1.00 96.50 C -ATOM 1243 C SER A 158 -12.734 10.250 -4.684 1.00 96.50 C -ATOM 1244 CB SER A 158 -15.000 10.711 -5.633 1.00 96.50 C -ATOM 1245 O SER A 158 -11.742 10.430 -5.391 1.00 96.50 O -ATOM 1246 OG SER A 158 -16.141 10.156 -6.273 1.00 96.50 O -ATOM 1247 N LEU A 159 -12.797 10.531 -3.455 1.00 97.00 N -ATOM 1248 CA LEU A 159 -11.656 11.125 -2.775 1.00 97.00 C -ATOM 1249 C LEU A 159 -10.461 10.180 -2.787 1.00 97.00 C -ATOM 1250 CB LEU A 159 -12.023 11.492 -1.334 1.00 97.00 C -ATOM 1251 O LEU A 159 -9.328 10.602 -3.049 1.00 97.00 O -ATOM 1252 CG LEU A 159 -10.883 12.031 -0.463 1.00 97.00 C -ATOM 1253 CD1 LEU A 159 -10.414 13.383 -0.975 1.00 97.00 C -ATOM 1254 CD2 LEU A 159 -11.320 12.125 0.994 1.00 97.00 C -ATOM 1255 N THR A 160 -10.750 8.930 -2.557 1.00 97.75 N -ATOM 1256 CA THR A 160 -9.656 7.961 -2.521 1.00 97.75 C -ATOM 1257 C THR A 160 -8.961 7.883 -3.875 1.00 97.75 C -ATOM 1258 CB THR A 160 -10.172 6.562 -2.125 1.00 97.75 C -ATOM 1259 O THR A 160 -7.730 7.824 -3.941 1.00 97.75 O -ATOM 1260 CG2 THR A 160 -10.867 6.594 -0.768 1.00 97.75 C -ATOM 1261 OG1 THR A 160 -11.102 6.102 -3.113 1.00 97.75 O -ATOM 1262 N TRP A 161 -9.656 7.922 -4.906 1.00 98.25 N -ATOM 1263 CA TRP A 161 -9.102 7.852 -6.254 1.00 98.25 C -ATOM 1264 C TRP A 161 -8.336 9.125 -6.598 1.00 98.25 C -ATOM 1265 CB TRP A 161 -10.211 7.609 -7.285 1.00 98.25 C -ATOM 1266 O TRP A 161 -7.230 9.062 -7.148 1.00 98.25 O -ATOM 1267 CG TRP A 161 -10.641 6.180 -7.387 1.00 98.25 C -ATOM 1268 CD1 TRP A 161 -11.641 5.570 -6.676 1.00 98.25 C -ATOM 1269 CD2 TRP A 161 -10.094 5.180 -8.250 1.00 98.25 C -ATOM 1270 CE2 TRP A 161 -10.805 3.984 -8.016 1.00 98.25 C -ATOM 1271 CE3 TRP A 161 -9.070 5.180 -9.211 1.00 98.25 C -ATOM 1272 NE1 TRP A 161 -11.742 4.250 -7.047 1.00 98.25 N -ATOM 1273 CH2 TRP A 161 -9.523 2.826 -9.625 1.00 98.25 C -ATOM 1274 CZ2 TRP A 161 -10.523 2.799 -8.695 1.00 98.25 C -ATOM 1275 CZ3 TRP A 161 -8.797 4.000 -9.891 1.00 98.25 C -ATOM 1276 N THR A 162 -8.945 10.188 -6.258 1.00 98.44 N -ATOM 1277 CA THR A 162 -8.297 11.461 -6.547 1.00 98.44 C -ATOM 1278 C THR A 162 -6.953 11.555 -5.824 1.00 98.44 C -ATOM 1279 CB THR A 162 -9.188 12.648 -6.145 1.00 98.44 C -ATOM 1280 O THR A 162 -5.941 11.914 -6.430 1.00 98.44 O -ATOM 1281 CG2 THR A 162 -8.484 13.977 -6.406 1.00 98.44 C -ATOM 1282 OG1 THR A 162 -10.398 12.609 -6.902 1.00 98.44 O -ATOM 1283 N MET A 163 -6.969 11.219 -4.582 1.00 98.25 N -ATOM 1284 CA MET A 163 -5.746 11.289 -3.787 1.00 98.25 C -ATOM 1285 C MET A 163 -4.719 10.281 -4.285 1.00 98.25 C -ATOM 1286 CB MET A 163 -6.051 11.039 -2.311 1.00 98.25 C -ATOM 1287 O MET A 163 -3.521 10.570 -4.324 1.00 98.25 O -ATOM 1288 CG MET A 163 -6.867 12.141 -1.658 1.00 98.25 C -ATOM 1289 SD MET A 163 -6.086 13.797 -1.832 1.00 98.25 S -ATOM 1290 CE MET A 163 -4.664 13.594 -0.727 1.00 98.25 C -ATOM 1291 N ALA A 164 -5.180 9.109 -4.676 1.00 98.31 N -ATOM 1292 CA ALA A 164 -4.285 8.078 -5.199 1.00 98.31 C -ATOM 1293 C ALA A 164 -3.646 8.531 -6.512 1.00 98.31 C -ATOM 1294 CB ALA A 164 -5.039 6.766 -5.402 1.00 98.31 C -ATOM 1295 O ALA A 164 -2.434 8.398 -6.699 1.00 98.31 O -ATOM 1296 N LEU A 165 -4.410 9.109 -7.344 1.00 98.50 N -ATOM 1297 CA LEU A 165 -3.900 9.562 -8.633 1.00 98.50 C -ATOM 1298 C LEU A 165 -2.965 10.758 -8.461 1.00 98.50 C -ATOM 1299 CB LEU A 165 -5.059 9.938 -9.562 1.00 98.50 C -ATOM 1300 O LEU A 165 -2.031 10.938 -9.250 1.00 98.50 O -ATOM 1301 CG LEU A 165 -5.867 8.773 -10.141 1.00 98.50 C -ATOM 1302 CD1 LEU A 165 -7.152 9.289 -10.781 1.00 98.50 C -ATOM 1303 CD2 LEU A 165 -5.035 8.000 -11.156 1.00 98.50 C -ATOM 1304 N ALA A 166 -3.238 11.586 -7.496 1.00 98.00 N -ATOM 1305 CA ALA A 166 -2.404 12.750 -7.203 1.00 98.00 C -ATOM 1306 C ALA A 166 -1.004 12.320 -6.770 1.00 98.00 C -ATOM 1307 CB ALA A 166 -3.053 13.609 -6.125 1.00 98.00 C -ATOM 1308 O ALA A 166 -0.060 13.109 -6.836 1.00 98.00 O -ATOM 1309 N CYS A 167 -0.904 11.078 -6.453 1.00 95.62 N -ATOM 1310 CA CYS A 167 0.379 10.555 -6.000 1.00 95.62 C -ATOM 1311 C CYS A 167 1.026 9.695 -7.082 1.00 95.62 C -ATOM 1312 CB CYS A 167 0.201 9.734 -4.723 1.00 95.62 C -ATOM 1313 O CYS A 167 2.248 9.711 -7.242 1.00 95.62 O -ATOM 1314 SG CYS A 167 1.673 8.805 -4.246 1.00 95.62 S -ATOM 1315 N THR A 168 0.257 8.953 -7.848 1.00 98.25 N -ATOM 1316 CA THR A 168 0.805 7.898 -8.695 1.00 98.25 C -ATOM 1317 C THR A 168 1.130 8.438 -10.086 1.00 98.25 C -ATOM 1318 CB THR A 168 -0.172 6.715 -8.820 1.00 98.25 C -ATOM 1319 O THR A 168 2.049 7.953 -10.742 1.00 98.25 O -ATOM 1320 CG2 THR A 168 -0.376 6.027 -7.473 1.00 98.25 C -ATOM 1321 OG1 THR A 168 -1.437 7.191 -9.289 1.00 98.25 O -ATOM 1322 N VAL A 169 0.453 9.516 -10.516 1.00 98.56 N -ATOM 1323 CA VAL A 169 0.601 10.031 -11.867 1.00 98.56 C -ATOM 1324 C VAL A 169 1.845 10.914 -11.953 1.00 98.56 C -ATOM 1325 CB VAL A 169 -0.647 10.828 -12.312 1.00 98.56 C -ATOM 1326 O VAL A 169 2.600 10.844 -12.922 1.00 98.56 O -ATOM 1327 CG1 VAL A 169 -0.355 11.641 -13.570 1.00 98.56 C -ATOM 1328 CG2 VAL A 169 -1.829 9.891 -12.531 1.00 98.56 C -ATOM 1329 N PRO A 170 2.117 11.680 -10.984 1.00 98.31 N -ATOM 1330 CA PRO A 170 3.229 12.633 -11.062 1.00 98.31 C -ATOM 1331 C PRO A 170 4.547 11.969 -11.453 1.00 98.31 C -ATOM 1332 CB PRO A 170 3.301 13.203 -9.648 1.00 98.31 C -ATOM 1333 O PRO A 170 5.281 12.492 -12.297 1.00 98.31 O -ATOM 1334 CG PRO A 170 1.884 13.227 -9.172 1.00 98.31 C -ATOM 1335 CD PRO A 170 1.197 11.984 -9.656 1.00 98.31 C -ATOM 1336 N PRO A 171 5.004 10.883 -10.922 1.00 98.06 N -ATOM 1337 CA PRO A 171 6.266 10.273 -11.344 1.00 98.06 C -ATOM 1338 C PRO A 171 6.277 9.922 -12.828 1.00 98.06 C -ATOM 1339 CB PRO A 171 6.355 9.016 -10.484 1.00 98.06 C -ATOM 1340 O PRO A 171 7.348 9.797 -13.430 1.00 98.06 O -ATOM 1341 CG PRO A 171 5.602 9.352 -9.234 1.00 98.06 C -ATOM 1342 CD PRO A 171 4.414 10.188 -9.609 1.00 98.06 C -ATOM 1343 N LEU A 172 5.121 9.812 -13.422 1.00 97.75 N -ATOM 1344 CA LEU A 172 5.020 9.484 -14.836 1.00 97.75 C -ATOM 1345 C LEU A 172 5.250 10.711 -15.703 1.00 97.75 C -ATOM 1346 CB LEU A 172 3.650 8.875 -15.148 1.00 97.75 C -ATOM 1347 O LEU A 172 5.594 10.594 -16.875 1.00 97.75 O -ATOM 1348 CG LEU A 172 3.330 7.539 -14.469 1.00 97.75 C -ATOM 1349 CD1 LEU A 172 1.897 7.117 -14.773 1.00 97.75 C -ATOM 1350 CD2 LEU A 172 4.316 6.465 -14.906 1.00 97.75 C -ATOM 1351 N VAL A 173 5.039 11.852 -15.078 1.00 96.62 N -ATOM 1352 CA VAL A 173 5.082 13.047 -15.914 1.00 96.62 C -ATOM 1353 C VAL A 173 6.227 13.953 -15.477 1.00 96.62 C -ATOM 1354 CB VAL A 173 3.744 13.812 -15.875 1.00 96.62 C -ATOM 1355 O VAL A 173 6.230 15.148 -15.773 1.00 96.62 O -ATOM 1356 CG1 VAL A 173 2.627 12.992 -16.516 1.00 96.62 C -ATOM 1357 CG2 VAL A 173 3.385 14.180 -14.438 1.00 96.62 C -ATOM 1358 N GLY A 174 7.109 13.461 -14.555 1.00 94.44 N -ATOM 1359 CA GLY A 174 8.375 14.148 -14.352 1.00 94.44 C -ATOM 1360 C GLY A 174 8.539 14.695 -12.945 1.00 94.44 C -ATOM 1361 O GLY A 174 9.562 15.320 -12.633 1.00 94.44 O -ATOM 1362 N TRP A 175 7.500 14.617 -12.039 1.00 97.81 N -ATOM 1363 CA TRP A 175 7.668 14.891 -10.617 1.00 97.81 C -ATOM 1364 C TRP A 175 7.941 13.609 -9.844 1.00 97.81 C -ATOM 1365 CB TRP A 175 6.430 15.586 -10.055 1.00 97.81 C -ATOM 1366 O TRP A 175 7.016 12.852 -9.531 1.00 97.81 O -ATOM 1367 CG TRP A 175 6.625 16.172 -8.688 1.00 97.81 C -ATOM 1368 CD1 TRP A 175 7.816 16.391 -8.047 1.00 97.81 C -ATOM 1369 CD2 TRP A 175 5.602 16.594 -7.785 1.00 97.81 C -ATOM 1370 CE2 TRP A 175 6.242 17.078 -6.621 1.00 97.81 C -ATOM 1371 CE3 TRP A 175 4.199 16.625 -7.852 1.00 97.81 C -ATOM 1372 NE1 TRP A 175 7.590 16.938 -6.805 1.00 97.81 N -ATOM 1373 CH2 TRP A 175 4.160 17.594 -5.617 1.00 97.81 C -ATOM 1374 CZ2 TRP A 175 5.527 17.578 -5.527 1.00 97.81 C -ATOM 1375 CZ3 TRP A 175 3.494 17.125 -6.762 1.00 97.81 C -ATOM 1376 N SER A 176 9.211 13.344 -9.781 1.00 97.69 N -ATOM 1377 CA SER A 176 9.789 12.070 -9.367 1.00 97.69 C -ATOM 1378 C SER A 176 9.836 11.086 -10.523 1.00 97.69 C -ATOM 1379 CB SER A 176 8.984 11.477 -8.211 1.00 97.69 C -ATOM 1380 O SER A 176 9.758 11.484 -11.688 1.00 97.69 O -ATOM 1381 OG SER A 176 9.680 10.383 -7.629 1.00 97.69 O -ATOM 1382 N ARG A 177 10.141 9.812 -10.195 1.00 97.56 N -ATOM 1383 CA ARG A 177 10.219 8.758 -11.195 1.00 97.56 C -ATOM 1384 C ARG A 177 10.078 7.383 -10.547 1.00 97.56 C -ATOM 1385 CB ARG A 177 11.531 8.836 -11.977 1.00 97.56 C -ATOM 1386 O ARG A 177 10.414 7.207 -9.375 1.00 97.56 O -ATOM 1387 CG ARG A 177 12.773 8.688 -11.109 1.00 97.56 C -ATOM 1388 CD ARG A 177 14.047 8.852 -11.922 1.00 97.56 C -ATOM 1389 NE ARG A 177 15.234 8.641 -11.102 1.00 97.56 N -ATOM 1390 NH1 ARG A 177 16.734 9.062 -12.812 1.00 97.56 N -ATOM 1391 NH2 ARG A 177 17.500 8.539 -10.711 1.00 97.56 N -ATOM 1392 CZ ARG A 177 16.484 8.750 -11.547 1.00 97.56 C -ATOM 1393 N TYR A 178 9.516 6.422 -11.359 1.00 98.06 N -ATOM 1394 CA TYR A 178 9.508 5.031 -10.930 1.00 98.06 C -ATOM 1395 C TYR A 178 10.797 4.324 -11.344 1.00 98.06 C -ATOM 1396 CB TYR A 178 8.297 4.293 -11.508 1.00 98.06 C -ATOM 1397 O TYR A 178 11.164 4.336 -12.516 1.00 98.06 O -ATOM 1398 CG TYR A 178 6.980 4.727 -10.914 1.00 98.06 C -ATOM 1399 CD1 TYR A 178 6.688 4.480 -9.570 1.00 98.06 C -ATOM 1400 CD2 TYR A 178 6.031 5.379 -11.688 1.00 98.06 C -ATOM 1401 CE1 TYR A 178 5.473 4.875 -9.023 1.00 98.06 C -ATOM 1402 CE2 TYR A 178 4.812 5.777 -11.148 1.00 98.06 C -ATOM 1403 OH TYR A 178 3.342 5.914 -9.273 1.00 98.06 O -ATOM 1404 CZ TYR A 178 4.543 5.523 -9.812 1.00 98.06 C -ATOM 1405 N ILE A 179 11.414 3.730 -10.352 1.00 97.56 N -ATOM 1406 CA ILE A 179 12.641 2.988 -10.633 1.00 97.56 C -ATOM 1407 C ILE A 179 12.609 1.648 -9.898 1.00 97.56 C -ATOM 1408 CB ILE A 179 13.898 3.795 -10.227 1.00 97.56 C -ATOM 1409 O ILE A 179 11.867 1.478 -8.930 1.00 97.56 O -ATOM 1410 CG1 ILE A 179 13.898 4.055 -8.719 1.00 97.56 C -ATOM 1411 CG2 ILE A 179 13.969 5.109 -11.008 1.00 97.56 C -ATOM 1412 CD1 ILE A 179 15.188 4.684 -8.195 1.00 97.56 C -ATOM 1413 N PRO A 180 13.430 0.674 -10.375 1.00 96.62 N -ATOM 1414 CA PRO A 180 13.500 -0.594 -9.648 1.00 96.62 C -ATOM 1415 C PRO A 180 13.984 -0.421 -8.211 1.00 96.62 C -ATOM 1416 CB PRO A 180 14.508 -1.413 -10.461 1.00 96.62 C -ATOM 1417 O PRO A 180 14.852 0.418 -7.941 1.00 96.62 O -ATOM 1418 CG PRO A 180 14.414 -0.852 -11.844 1.00 96.62 C -ATOM 1419 CD PRO A 180 14.203 0.631 -11.742 1.00 96.62 C -ATOM 1420 N GLU A 181 13.344 -1.181 -7.312 1.00 93.31 N -ATOM 1421 CA GLU A 181 13.680 -1.062 -5.895 1.00 93.31 C -ATOM 1422 C GLU A 181 14.164 -2.395 -5.332 1.00 93.31 C -ATOM 1423 CB GLU A 181 12.477 -0.562 -5.094 1.00 93.31 C -ATOM 1424 O GLU A 181 13.867 -3.455 -5.887 1.00 93.31 O -ATOM 1425 CG GLU A 181 11.328 -1.559 -5.023 1.00 93.31 C -ATOM 1426 CD GLU A 181 10.148 -1.060 -4.203 1.00 93.31 C -ATOM 1427 OE1 GLU A 181 9.094 -1.735 -4.180 1.00 93.31 O -ATOM 1428 OE2 GLU A 181 10.281 0.015 -3.576 1.00 93.31 O -ATOM 1429 N GLY A 182 14.906 -2.334 -4.227 1.00 91.19 N -ATOM 1430 CA GLY A 182 15.344 -3.525 -3.516 1.00 91.19 C -ATOM 1431 C GLY A 182 16.203 -4.445 -4.367 1.00 91.19 C -ATOM 1432 O GLY A 182 17.219 -4.023 -4.922 1.00 91.19 O -ATOM 1433 N MET A 183 15.648 -5.633 -4.547 1.00 94.38 N -ATOM 1434 CA MET A 183 16.328 -6.668 -5.316 1.00 94.38 C -ATOM 1435 C MET A 183 16.203 -6.410 -6.812 1.00 94.38 C -ATOM 1436 CB MET A 183 15.781 -8.047 -4.969 1.00 94.38 C -ATOM 1437 O MET A 183 16.594 -7.246 -7.625 1.00 94.38 O -ATOM 1438 CG MET A 183 16.031 -8.469 -3.533 1.00 94.38 C -ATOM 1439 SD MET A 183 15.359 -10.141 -3.158 1.00 94.38 S -ATOM 1440 CE MET A 183 14.500 -10.492 -4.715 1.00 94.38 C -ATOM 1441 N GLN A 184 15.555 -5.410 -7.141 1.00 94.94 N -ATOM 1442 CA GLN A 184 15.422 -4.867 -8.492 1.00 94.94 C -ATOM 1443 C GLN A 184 14.414 -5.664 -9.305 1.00 94.94 C -ATOM 1444 CB GLN A 184 16.781 -4.852 -9.195 1.00 94.94 C -ATOM 1445 O GLN A 184 14.578 -5.824 -10.516 1.00 94.94 O -ATOM 1446 CG GLN A 184 17.859 -4.066 -8.453 1.00 94.94 C -ATOM 1447 CD GLN A 184 17.531 -2.588 -8.352 1.00 94.94 C -ATOM 1448 NE2 GLN A 184 17.734 -2.018 -7.164 1.00 94.94 N -ATOM 1449 OE1 GLN A 184 17.109 -1.961 -9.320 1.00 94.94 O -ATOM 1450 N CYS A 185 13.469 -6.238 -8.703 1.00 96.69 N -ATOM 1451 CA CYS A 185 12.445 -7.023 -9.383 1.00 96.69 C -ATOM 1452 C CYS A 185 11.086 -6.344 -9.281 1.00 96.69 C -ATOM 1453 CB CYS A 185 12.367 -8.430 -8.789 1.00 96.69 C -ATOM 1454 O CYS A 185 10.070 -6.906 -9.703 1.00 96.69 O -ATOM 1455 SG CYS A 185 13.828 -9.438 -9.125 1.00 96.69 S -ATOM 1456 N SER A 186 11.055 -5.250 -8.625 1.00 96.69 N -ATOM 1457 CA SER A 186 9.875 -4.398 -8.500 1.00 96.69 C -ATOM 1458 C SER A 186 10.234 -2.928 -8.672 1.00 96.69 C -ATOM 1459 CB SER A 186 9.203 -4.613 -7.145 1.00 96.69 C -ATOM 1460 O SER A 186 11.414 -2.561 -8.609 1.00 96.69 O -ATOM 1461 OG SER A 186 10.055 -4.207 -6.090 1.00 96.69 O -ATOM 1462 N CYS A 187 9.180 -2.184 -8.906 1.00 97.25 N -ATOM 1463 CA CYS A 187 9.438 -0.764 -9.125 1.00 97.25 C -ATOM 1464 C CYS A 187 8.680 0.089 -8.109 1.00 97.25 C -ATOM 1465 CB CYS A 187 9.055 -0.355 -10.547 1.00 97.25 C -ATOM 1466 O CYS A 187 7.613 -0.304 -7.641 1.00 97.25 O -ATOM 1467 SG CYS A 187 10.023 -1.168 -11.828 1.00 97.25 S -ATOM 1468 N GLY A 188 9.273 1.220 -7.730 1.00 96.06 N -ATOM 1469 CA GLY A 188 8.664 2.166 -6.812 1.00 96.06 C -ATOM 1470 C GLY A 188 9.164 3.588 -7.000 1.00 96.06 C -ATOM 1471 O GLY A 188 9.922 3.865 -7.930 1.00 96.06 O -ATOM 1472 N ILE A 189 8.695 4.410 -6.102 1.00 96.12 N -ATOM 1473 CA ILE A 189 9.062 5.820 -6.121 1.00 96.12 C -ATOM 1474 C ILE A 189 10.547 5.969 -5.785 1.00 96.12 C -ATOM 1475 CB ILE A 189 8.203 6.645 -5.141 1.00 96.12 C -ATOM 1476 O ILE A 189 11.094 5.191 -5.000 1.00 96.12 O -ATOM 1477 CG1 ILE A 189 6.727 6.598 -5.555 1.00 96.12 C -ATOM 1478 CG2 ILE A 189 8.703 8.086 -5.062 1.00 96.12 C -ATOM 1479 CD1 ILE A 189 5.762 7.051 -4.465 1.00 96.12 C -ATOM 1480 N ASP A 190 11.164 6.945 -6.430 1.00 95.69 N -ATOM 1481 CA ASP A 190 12.594 7.176 -6.223 1.00 95.69 C -ATOM 1482 C ASP A 190 12.844 7.930 -4.918 1.00 95.69 C -ATOM 1483 CB ASP A 190 13.188 7.953 -7.398 1.00 95.69 C -ATOM 1484 O ASP A 190 12.719 9.156 -4.867 1.00 95.69 O -ATOM 1485 CG ASP A 190 14.695 8.086 -7.320 1.00 95.69 C -ATOM 1486 OD1 ASP A 190 15.297 7.641 -6.316 1.00 95.69 O -ATOM 1487 OD2 ASP A 190 15.289 8.641 -8.266 1.00 95.69 O -ATOM 1488 N TYR A 191 13.133 7.168 -3.865 1.00 92.69 N -ATOM 1489 CA TYR A 191 13.477 7.777 -2.586 1.00 92.69 C -ATOM 1490 C TYR A 191 14.984 7.766 -2.367 1.00 92.69 C -ATOM 1491 CB TYR A 191 12.773 7.051 -1.436 1.00 92.69 C -ATOM 1492 O TYR A 191 15.469 8.211 -1.324 1.00 92.69 O -ATOM 1493 CG TYR A 191 11.320 6.746 -1.704 1.00 92.69 C -ATOM 1494 CD1 TYR A 191 10.375 7.770 -1.768 1.00 92.69 C -ATOM 1495 CD2 TYR A 191 10.891 5.441 -1.895 1.00 92.69 C -ATOM 1496 CE1 TYR A 191 9.039 7.496 -2.012 1.00 92.69 C -ATOM 1497 CE2 TYR A 191 9.547 5.152 -2.141 1.00 92.69 C -ATOM 1498 OH TYR A 191 7.305 5.910 -2.441 1.00 92.69 O -ATOM 1499 CZ TYR A 191 8.633 6.188 -2.197 1.00 92.69 C -ATOM 1500 N TYR A 192 15.711 7.320 -3.391 1.00 92.00 N -ATOM 1501 CA TYR A 192 17.125 7.008 -3.275 1.00 92.00 C -ATOM 1502 C TYR A 192 17.984 8.180 -3.738 1.00 92.00 C -ATOM 1503 CB TYR A 192 17.484 5.758 -4.086 1.00 92.00 C -ATOM 1504 O TYR A 192 19.062 8.422 -3.195 1.00 92.00 O -ATOM 1505 CG TYR A 192 16.625 4.559 -3.746 1.00 92.00 C -ATOM 1506 CD1 TYR A 192 16.938 3.754 -2.650 1.00 92.00 C -ATOM 1507 CD2 TYR A 192 15.516 4.227 -4.520 1.00 92.00 C -ATOM 1508 CE1 TYR A 192 16.156 2.646 -2.332 1.00 92.00 C -ATOM 1509 CE2 TYR A 192 14.734 3.121 -4.211 1.00 92.00 C -ATOM 1510 OH TYR A 192 14.281 1.245 -2.809 1.00 92.00 O -ATOM 1511 CZ TYR A 192 15.055 2.340 -3.117 1.00 92.00 C -ATOM 1512 N THR A 193 17.469 8.820 -4.738 1.00 92.38 N -ATOM 1513 CA THR A 193 18.359 9.766 -5.406 1.00 92.38 C -ATOM 1514 C THR A 193 17.734 11.148 -5.488 1.00 92.38 C -ATOM 1515 CB THR A 193 18.734 9.281 -6.824 1.00 92.38 C -ATOM 1516 O THR A 193 16.531 11.297 -5.258 1.00 92.38 O -ATOM 1517 CG2 THR A 193 19.203 7.828 -6.805 1.00 92.38 C -ATOM 1518 OG1 THR A 193 17.578 9.391 -7.668 1.00 92.38 O -ATOM 1519 N ARG A 194 18.562 12.180 -5.738 1.00 91.94 N -ATOM 1520 CA ARG A 194 18.156 13.531 -6.102 1.00 91.94 C -ATOM 1521 C ARG A 194 18.516 13.844 -7.551 1.00 91.94 C -ATOM 1522 CB ARG A 194 18.797 14.555 -5.164 1.00 91.94 C -ATOM 1523 O ARG A 194 19.266 14.781 -7.816 1.00 91.94 O -ATOM 1524 CG ARG A 194 18.484 14.328 -3.695 1.00 91.94 C -ATOM 1525 CD ARG A 194 17.000 14.539 -3.389 1.00 91.94 C -ATOM 1526 NE ARG A 194 16.734 14.453 -1.956 1.00 91.94 N -ATOM 1527 NH1 ARG A 194 15.805 12.336 -2.053 1.00 91.94 N -ATOM 1528 NH2 ARG A 194 15.969 13.430 -0.045 1.00 91.94 N -ATOM 1529 CZ ARG A 194 16.172 13.406 -1.354 1.00 91.94 C -ATOM 1530 N ALA A 195 17.953 12.945 -8.359 1.00 91.56 N -ATOM 1531 CA ALA A 195 18.266 13.039 -9.781 1.00 91.56 C -ATOM 1532 C ALA A 195 17.797 14.375 -10.359 1.00 91.56 C -ATOM 1533 CB ALA A 195 17.609 11.891 -10.539 1.00 91.56 C -ATOM 1534 O ALA A 195 16.688 14.828 -10.078 1.00 91.56 O -ATOM 1535 N GLU A 196 18.719 15.055 -11.078 1.00 91.12 N -ATOM 1536 CA GLU A 196 18.422 16.359 -11.656 1.00 91.12 C -ATOM 1537 C GLU A 196 17.203 16.297 -12.578 1.00 91.12 C -ATOM 1538 CB GLU A 196 19.641 16.891 -12.422 1.00 91.12 C -ATOM 1539 O GLU A 196 17.094 15.383 -13.391 1.00 91.12 O -ATOM 1540 CG GLU A 196 20.766 17.391 -11.531 1.00 91.12 C -ATOM 1541 CD GLU A 196 21.891 18.078 -12.297 1.00 91.12 C -ATOM 1542 OE1 GLU A 196 22.859 18.547 -11.664 1.00 91.12 O -ATOM 1543 OE2 GLU A 196 21.797 18.125 -13.539 1.00 91.12 O -ATOM 1544 N GLY A 197 16.203 17.203 -12.383 1.00 92.25 N -ATOM 1545 CA GLY A 197 15.070 17.328 -13.289 1.00 92.25 C -ATOM 1546 C GLY A 197 13.836 16.594 -12.797 1.00 92.25 C -ATOM 1547 O GLY A 197 12.758 16.734 -13.375 1.00 92.25 O -ATOM 1548 N PHE A 198 13.922 15.812 -11.688 1.00 93.81 N -ATOM 1549 CA PHE A 198 12.773 15.016 -11.266 1.00 93.81 C -ATOM 1550 C PHE A 198 12.188 15.555 -9.969 1.00 93.81 C -ATOM 1551 CB PHE A 198 13.180 13.547 -11.086 1.00 93.81 C -ATOM 1552 O PHE A 198 11.062 15.203 -9.602 1.00 93.81 O -ATOM 1553 CG PHE A 198 13.422 12.820 -12.375 1.00 93.81 C -ATOM 1554 CD1 PHE A 198 12.352 12.391 -13.156 1.00 93.81 C -ATOM 1555 CD2 PHE A 198 14.719 12.562 -12.820 1.00 93.81 C -ATOM 1556 CE1 PHE A 198 12.578 11.711 -14.359 1.00 93.81 C -ATOM 1557 CE2 PHE A 198 14.945 11.891 -14.016 1.00 93.81 C -ATOM 1558 CZ PHE A 198 13.867 11.469 -14.781 1.00 93.81 C -ATOM 1559 N ASN A 199 12.945 16.406 -9.266 1.00 95.81 N -ATOM 1560 CA ASN A 199 12.492 17.000 -8.016 1.00 95.81 C -ATOM 1561 C ASN A 199 12.016 15.945 -7.027 1.00 95.81 C -ATOM 1562 CB ASN A 199 11.383 18.031 -8.281 1.00 95.81 C -ATOM 1563 O ASN A 199 10.930 16.078 -6.453 1.00 95.81 O -ATOM 1564 CG ASN A 199 11.844 19.172 -9.148 1.00 95.81 C -ATOM 1565 ND2 ASN A 199 11.109 19.438 -10.227 1.00 95.81 N -ATOM 1566 OD1 ASN A 199 12.852 19.828 -8.859 1.00 95.81 O -ATOM 1567 N ASN A 200 12.859 14.844 -6.848 1.00 95.69 N -ATOM 1568 CA ASN A 200 12.531 13.727 -5.969 1.00 95.69 C -ATOM 1569 C ASN A 200 12.352 14.188 -4.527 1.00 95.69 C -ATOM 1570 CB ASN A 200 13.609 12.641 -6.051 1.00 95.69 C -ATOM 1571 O ASN A 200 11.500 13.656 -3.807 1.00 95.69 O -ATOM 1572 CG ASN A 200 13.602 11.914 -7.379 1.00 95.69 C -ATOM 1573 ND2 ASN A 200 14.781 11.484 -7.824 1.00 95.69 N -ATOM 1574 OD1 ASN A 200 12.555 11.734 -8.000 1.00 95.69 O -ATOM 1575 N GLU A 201 13.117 15.188 -4.234 1.00 95.62 N -ATOM 1576 CA GLU A 201 13.062 15.672 -2.855 1.00 95.62 C -ATOM 1577 C GLU A 201 11.680 16.203 -2.516 1.00 95.62 C -ATOM 1578 CB GLU A 201 14.117 16.750 -2.621 1.00 95.62 C -ATOM 1579 O GLU A 201 11.078 15.812 -1.513 1.00 95.62 O -ATOM 1580 CG GLU A 201 14.211 17.219 -1.176 1.00 95.62 C -ATOM 1581 CD GLU A 201 15.305 18.250 -0.944 1.00 95.62 C -ATOM 1582 OE1 GLU A 201 15.359 18.844 0.157 1.00 95.62 O -ATOM 1583 OE2 GLU A 201 16.125 18.453 -1.872 1.00 95.62 O -ATOM 1584 N SER A 202 11.227 17.141 -3.271 1.00 97.75 N -ATOM 1585 CA SER A 202 9.914 17.719 -3.020 1.00 97.75 C -ATOM 1586 C SER A 202 8.820 16.672 -3.076 1.00 97.75 C -ATOM 1587 CB SER A 202 9.625 18.828 -4.027 1.00 97.75 C -ATOM 1588 O SER A 202 7.875 16.703 -2.283 1.00 97.75 O -ATOM 1589 OG SER A 202 9.609 18.328 -5.348 1.00 97.75 O -ATOM 1590 N PHE A 203 8.953 15.727 -3.881 1.00 98.31 N -ATOM 1591 CA PHE A 203 7.930 14.703 -4.062 1.00 98.31 C -ATOM 1592 C PHE A 203 7.879 13.766 -2.861 1.00 98.31 C -ATOM 1593 CB PHE A 203 8.180 13.906 -5.344 1.00 98.31 C -ATOM 1594 O PHE A 203 6.797 13.422 -2.381 1.00 98.31 O -ATOM 1595 CG PHE A 203 7.070 12.953 -5.691 1.00 98.31 C -ATOM 1596 CD1 PHE A 203 7.234 11.586 -5.527 1.00 98.31 C -ATOM 1597 CD2 PHE A 203 5.863 13.430 -6.188 1.00 98.31 C -ATOM 1598 CE1 PHE A 203 6.207 10.695 -5.852 1.00 98.31 C -ATOM 1599 CE2 PHE A 203 4.832 12.547 -6.512 1.00 98.31 C -ATOM 1600 CZ PHE A 203 5.008 11.188 -6.344 1.00 98.31 C -ATOM 1601 N VAL A 204 9.039 13.336 -2.402 1.00 97.00 N -ATOM 1602 CA VAL A 204 9.078 12.438 -1.255 1.00 97.00 C -ATOM 1603 C VAL A 204 8.484 13.133 -0.031 1.00 97.00 C -ATOM 1604 CB VAL A 204 10.516 11.969 -0.956 1.00 97.00 C -ATOM 1605 O VAL A 204 7.754 12.523 0.749 1.00 97.00 O -ATOM 1606 CG1 VAL A 204 10.570 11.180 0.356 1.00 97.00 C -ATOM 1607 CG2 VAL A 204 11.047 11.117 -2.109 1.00 97.00 C -ATOM 1608 N LEU A 205 8.797 14.406 0.171 1.00 97.69 N -ATOM 1609 CA LEU A 205 8.195 15.172 1.259 1.00 97.69 C -ATOM 1610 C LEU A 205 6.676 15.219 1.113 1.00 97.69 C -ATOM 1611 CB LEU A 205 8.766 16.594 1.294 1.00 97.69 C -ATOM 1612 O LEU A 205 5.949 15.062 2.096 1.00 97.69 O -ATOM 1613 CG LEU A 205 10.219 16.734 1.745 1.00 97.69 C -ATOM 1614 CD1 LEU A 205 10.719 18.141 1.505 1.00 97.69 C -ATOM 1615 CD2 LEU A 205 10.359 16.344 3.215 1.00 97.69 C -ATOM 1616 N TYR A 206 6.223 15.453 -0.033 1.00 98.19 N -ATOM 1617 CA TYR A 206 4.797 15.445 -0.350 1.00 98.19 C -ATOM 1618 C TYR A 206 4.164 14.109 0.003 1.00 98.19 C -ATOM 1619 CB TYR A 206 4.574 15.758 -1.834 1.00 98.19 C -ATOM 1620 O TYR A 206 3.135 14.062 0.681 1.00 98.19 O -ATOM 1621 CG TYR A 206 3.197 15.391 -2.330 1.00 98.19 C -ATOM 1622 CD1 TYR A 206 3.008 14.312 -3.186 1.00 98.19 C -ATOM 1623 CD2 TYR A 206 2.082 16.125 -1.943 1.00 98.19 C -ATOM 1624 CE1 TYR A 206 1.739 13.969 -3.646 1.00 98.19 C -ATOM 1625 CE2 TYR A 206 0.810 15.797 -2.398 1.00 98.19 C -ATOM 1626 OH TYR A 206 -0.609 14.391 -3.701 1.00 98.19 O -ATOM 1627 CZ TYR A 206 0.648 14.719 -3.248 1.00 98.19 C -ATOM 1628 N MET A 207 4.777 13.000 -0.394 1.00 97.12 N -ATOM 1629 CA MET A 207 4.258 11.656 -0.145 1.00 97.12 C -ATOM 1630 C MET A 207 4.199 11.367 1.351 1.00 97.12 C -ATOM 1631 CB MET A 207 5.121 10.609 -0.848 1.00 97.12 C -ATOM 1632 O MET A 207 3.205 10.828 1.845 1.00 97.12 O -ATOM 1633 CG MET A 207 4.871 10.508 -2.344 1.00 97.12 C -ATOM 1634 SD MET A 207 3.270 9.703 -2.736 1.00 97.12 S -ATOM 1635 CE MET A 207 3.727 7.961 -2.512 1.00 97.12 C -ATOM 1636 N PHE A 208 5.199 11.750 1.992 1.00 96.19 N -ATOM 1637 CA PHE A 208 5.277 11.453 3.420 1.00 96.19 C -ATOM 1638 C PHE A 208 4.227 12.250 4.191 1.00 96.19 C -ATOM 1639 CB PHE A 208 6.676 11.773 3.957 1.00 96.19 C -ATOM 1640 O PHE A 208 3.469 11.680 4.980 1.00 96.19 O -ATOM 1641 CG PHE A 208 6.879 11.375 5.395 1.00 96.19 C -ATOM 1642 CD1 PHE A 208 6.840 12.328 6.406 1.00 96.19 C -ATOM 1643 CD2 PHE A 208 7.105 10.055 5.734 1.00 96.19 C -ATOM 1644 CE1 PHE A 208 7.027 11.961 7.738 1.00 96.19 C -ATOM 1645 CE2 PHE A 208 7.293 9.680 7.062 1.00 96.19 C -ATOM 1646 CZ PHE A 208 7.254 10.633 8.062 1.00 96.19 C -ATOM 1647 N PHE A 209 4.055 13.484 4.008 1.00 96.94 N -ATOM 1648 CA PHE A 209 3.195 14.336 4.820 1.00 96.94 C -ATOM 1649 C PHE A 209 1.747 14.250 4.352 1.00 96.94 C -ATOM 1650 CB PHE A 209 3.680 15.789 4.777 1.00 96.94 C -ATOM 1651 O PHE A 209 0.824 14.234 5.168 1.00 96.94 O -ATOM 1652 CG PHE A 209 4.883 16.047 5.641 1.00 96.94 C -ATOM 1653 CD1 PHE A 209 4.781 16.031 7.027 1.00 96.94 C -ATOM 1654 CD2 PHE A 209 6.121 16.312 5.066 1.00 96.94 C -ATOM 1655 CE1 PHE A 209 5.895 16.281 7.828 1.00 96.94 C -ATOM 1656 CE2 PHE A 209 7.238 16.562 5.859 1.00 96.94 C -ATOM 1657 CZ PHE A 209 7.121 16.547 7.242 1.00 96.94 C -ATOM 1658 N CYS A 210 1.558 14.062 3.129 1.00 97.38 N -ATOM 1659 CA CYS A 210 0.196 14.078 2.605 1.00 97.38 C -ATOM 1660 C CYS A 210 -0.390 12.672 2.582 1.00 97.38 C -ATOM 1661 CB CYS A 210 0.167 14.672 1.199 1.00 97.38 C -ATOM 1662 O CYS A 210 -1.549 12.469 2.947 1.00 97.38 O -ATOM 1663 SG CYS A 210 -1.499 14.945 0.558 1.00 97.38 S -ATOM 1664 N HIS A 211 0.366 11.695 2.246 1.00 96.44 N -ATOM 1665 CA HIS A 211 -0.200 10.383 1.949 1.00 96.44 C -ATOM 1666 C HIS A 211 0.124 9.383 3.051 1.00 96.44 C -ATOM 1667 CB HIS A 211 0.315 9.875 0.603 1.00 96.44 C -ATOM 1668 O HIS A 211 -0.503 8.320 3.135 1.00 96.44 O -ATOM 1669 CG HIS A 211 -0.257 10.602 -0.574 1.00 96.44 C -ATOM 1670 CD2 HIS A 211 0.248 11.602 -1.331 1.00 96.44 C -ATOM 1671 ND1 HIS A 211 -1.502 10.312 -1.092 1.00 96.44 N -ATOM 1672 CE1 HIS A 211 -1.738 11.109 -2.119 1.00 96.44 C -ATOM 1673 NE2 HIS A 211 -0.692 11.898 -2.287 1.00 96.44 N -ATOM 1674 N PHE A 212 1.015 9.758 3.877 1.00 94.06 N -ATOM 1675 CA PHE A 212 1.281 8.883 5.016 1.00 94.06 C -ATOM 1676 C PHE A 212 0.796 9.516 6.312 1.00 94.06 C -ATOM 1677 CB PHE A 212 2.777 8.562 5.109 1.00 94.06 C -ATOM 1678 O PHE A 212 -0.050 8.953 7.008 1.00 94.06 O -ATOM 1679 CG PHE A 212 3.135 7.672 6.270 1.00 94.06 C -ATOM 1680 CD1 PHE A 212 3.861 8.164 7.348 1.00 94.06 C -ATOM 1681 CD2 PHE A 212 2.744 6.340 6.281 1.00 94.06 C -ATOM 1682 CE1 PHE A 212 4.191 7.340 8.422 1.00 94.06 C -ATOM 1683 CE2 PHE A 212 3.072 5.508 7.348 1.00 94.06 C -ATOM 1684 CZ PHE A 212 3.797 6.012 8.414 1.00 94.06 C -ATOM 1685 N MET A 213 1.230 10.742 6.707 1.00 95.44 N -ATOM 1686 CA MET A 213 0.953 11.375 7.992 1.00 95.44 C -ATOM 1687 C MET A 213 -0.523 11.742 8.109 1.00 95.44 C -ATOM 1688 CB MET A 213 1.818 12.617 8.180 1.00 95.44 C -ATOM 1689 O MET A 213 -1.152 11.477 9.133 1.00 95.44 O -ATOM 1690 CG MET A 213 3.270 12.312 8.508 1.00 95.44 C -ATOM 1691 SD MET A 213 3.449 11.344 10.055 1.00 95.44 S -ATOM 1692 CE MET A 213 5.121 10.680 9.828 1.00 95.44 C -ATOM 1693 N VAL A 214 -1.055 12.344 7.082 1.00 97.00 N -ATOM 1694 CA VAL A 214 -2.441 12.789 7.129 1.00 97.00 C -ATOM 1695 C VAL A 214 -3.365 11.594 7.348 1.00 97.00 C -ATOM 1696 CB VAL A 214 -2.840 13.539 5.840 1.00 97.00 C -ATOM 1697 O VAL A 214 -4.207 11.602 8.250 1.00 97.00 O -ATOM 1698 CG1 VAL A 214 -4.355 13.719 5.766 1.00 97.00 C -ATOM 1699 CG2 VAL A 214 -2.135 14.898 5.773 1.00 97.00 C -ATOM 1700 N PRO A 215 -3.297 10.547 6.527 1.00 95.94 N -ATOM 1701 CA PRO A 215 -4.152 9.391 6.797 1.00 95.94 C -ATOM 1702 C PRO A 215 -3.924 8.797 8.188 1.00 95.94 C -ATOM 1703 CB PRO A 215 -3.750 8.391 5.707 1.00 95.94 C -ATOM 1704 O PRO A 215 -4.879 8.391 8.852 1.00 95.94 O -ATOM 1705 CG PRO A 215 -3.266 9.234 4.574 1.00 95.94 C -ATOM 1706 CD PRO A 215 -2.559 10.430 5.141 1.00 95.94 C -ATOM 1707 N LEU A 216 -2.695 8.742 8.539 1.00 95.31 N -ATOM 1708 CA LEU A 216 -2.371 8.227 9.867 1.00 95.31 C -ATOM 1709 C LEU A 216 -3.070 9.039 10.953 1.00 95.31 C -ATOM 1710 CB LEU A 216 -0.858 8.250 10.094 1.00 95.31 C -ATOM 1711 O LEU A 216 -3.686 8.477 11.859 1.00 95.31 O -ATOM 1712 CG LEU A 216 -0.360 7.629 11.398 1.00 95.31 C -ATOM 1713 CD1 LEU A 216 -0.610 6.125 11.398 1.00 95.31 C -ATOM 1714 CD2 LEU A 216 1.121 7.930 11.602 1.00 95.31 C -ATOM 1715 N ILE A 217 -3.016 10.297 10.898 1.00 97.25 N -ATOM 1716 CA ILE A 217 -3.625 11.203 11.867 1.00 97.25 C -ATOM 1717 C ILE A 217 -5.145 11.031 11.852 1.00 97.25 C -ATOM 1718 CB ILE A 217 -3.246 12.672 11.594 1.00 97.25 C -ATOM 1719 O ILE A 217 -5.781 10.953 12.898 1.00 97.25 O -ATOM 1720 CG1 ILE A 217 -1.768 12.914 11.922 1.00 97.25 C -ATOM 1721 CG2 ILE A 217 -4.145 13.617 12.391 1.00 97.25 C -ATOM 1722 CD1 ILE A 217 -1.229 14.242 11.414 1.00 97.25 C -ATOM 1723 N ILE A 218 -5.691 10.945 10.664 1.00 97.62 N -ATOM 1724 CA ILE A 218 -7.129 10.773 10.516 1.00 97.62 C -ATOM 1725 C ILE A 218 -7.570 9.469 11.180 1.00 97.62 C -ATOM 1726 CB ILE A 218 -7.547 10.773 9.023 1.00 97.62 C -ATOM 1727 O ILE A 218 -8.539 9.453 11.945 1.00 97.62 O -ATOM 1728 CG1 ILE A 218 -7.426 12.188 8.438 1.00 97.62 C -ATOM 1729 CG2 ILE A 218 -8.969 10.234 8.859 1.00 97.62 C -ATOM 1730 CD1 ILE A 218 -7.629 12.258 6.934 1.00 97.62 C -ATOM 1731 N ILE A 219 -6.848 8.453 10.945 1.00 95.50 N -ATOM 1732 CA ILE A 219 -7.215 7.133 11.453 1.00 95.50 C -ATOM 1733 C ILE A 219 -7.148 7.133 12.977 1.00 95.50 C -ATOM 1734 CB ILE A 219 -6.297 6.031 10.883 1.00 95.50 C -ATOM 1735 O ILE A 219 -8.086 6.699 13.648 1.00 95.50 O -ATOM 1736 CG1 ILE A 219 -6.621 5.785 9.398 1.00 95.50 C -ATOM 1737 CG2 ILE A 219 -6.434 4.738 11.688 1.00 95.50 C -ATOM 1738 CD1 ILE A 219 -5.645 4.852 8.703 1.00 95.50 C -ATOM 1739 N PHE A 220 -6.105 7.664 13.492 1.00 96.25 N -ATOM 1740 CA PHE A 220 -5.930 7.668 14.938 1.00 96.25 C -ATOM 1741 C PHE A 220 -6.953 8.578 15.609 1.00 96.25 C -ATOM 1742 CB PHE A 220 -4.512 8.109 15.305 1.00 96.25 C -ATOM 1743 O PHE A 220 -7.527 8.219 16.641 1.00 96.25 O -ATOM 1744 CG PHE A 220 -3.510 6.988 15.344 1.00 96.25 C -ATOM 1745 CD1 PHE A 220 -3.361 6.207 16.484 1.00 96.25 C -ATOM 1746 CD2 PHE A 220 -2.719 6.711 14.234 1.00 96.25 C -ATOM 1747 CE1 PHE A 220 -2.438 5.168 16.516 1.00 96.25 C -ATOM 1748 CE2 PHE A 220 -1.793 5.672 14.266 1.00 96.25 C -ATOM 1749 CZ PHE A 220 -1.652 4.902 15.406 1.00 96.25 C -ATOM 1750 N PHE A 221 -7.105 9.695 15.023 1.00 96.50 N -ATOM 1751 CA PHE A 221 -8.070 10.633 15.586 1.00 96.50 C -ATOM 1752 C PHE A 221 -9.477 10.047 15.555 1.00 96.50 C -ATOM 1753 CB PHE A 221 -8.039 11.961 14.820 1.00 96.50 C -ATOM 1754 O PHE A 221 -10.180 10.039 16.562 1.00 96.50 O -ATOM 1755 CG PHE A 221 -9.109 12.930 15.234 1.00 96.50 C -ATOM 1756 CD1 PHE A 221 -10.258 13.086 14.477 1.00 96.50 C -ATOM 1757 CD2 PHE A 221 -8.969 13.688 16.391 1.00 96.50 C -ATOM 1758 CE1 PHE A 221 -11.258 13.984 14.859 1.00 96.50 C -ATOM 1759 CE2 PHE A 221 -9.953 14.586 16.781 1.00 96.50 C -ATOM 1760 CZ PHE A 221 -11.102 14.734 16.016 1.00 96.50 C -ATOM 1761 N CYS A 222 -9.961 9.555 14.453 1.00 96.69 N -ATOM 1762 CA CYS A 222 -11.320 9.062 14.273 1.00 96.69 C -ATOM 1763 C CYS A 222 -11.570 7.836 15.141 1.00 96.69 C -ATOM 1764 CB CYS A 222 -11.570 8.719 12.805 1.00 96.69 C -ATOM 1765 O CYS A 222 -12.578 7.766 15.844 1.00 96.69 O -ATOM 1766 SG CYS A 222 -11.656 10.156 11.719 1.00 96.69 S -ATOM 1767 N TYR A 223 -10.703 6.930 15.094 1.00 95.62 N -ATOM 1768 CA TYR A 223 -10.898 5.715 15.875 1.00 95.62 C -ATOM 1769 C TYR A 223 -10.750 5.996 17.359 1.00 95.62 C -ATOM 1770 CB TYR A 223 -9.898 4.637 15.453 1.00 95.62 C -ATOM 1771 O TYR A 223 -11.383 5.336 18.188 1.00 95.62 O -ATOM 1772 CG TYR A 223 -10.336 3.840 14.242 1.00 95.62 C -ATOM 1773 CD1 TYR A 223 -11.688 3.613 13.992 1.00 95.62 C -ATOM 1774 CD2 TYR A 223 -9.406 3.311 13.359 1.00 95.62 C -ATOM 1775 CE1 TYR A 223 -12.102 2.877 12.891 1.00 95.62 C -ATOM 1776 CE2 TYR A 223 -9.805 2.574 12.250 1.00 95.62 C -ATOM 1777 OH TYR A 223 -11.555 1.634 10.922 1.00 95.62 O -ATOM 1778 CZ TYR A 223 -11.148 2.363 12.023 1.00 95.62 C -ATOM 1779 N GLY A 224 -9.812 6.914 17.703 1.00 95.62 N -ATOM 1780 CA GLY A 224 -9.727 7.352 19.078 1.00 95.62 C -ATOM 1781 C GLY A 224 -11.031 7.902 19.609 1.00 95.62 C -ATOM 1782 O GLY A 224 -11.469 7.527 20.703 1.00 95.62 O -ATOM 1783 N ARG A 225 -11.641 8.711 18.891 1.00 95.38 N -ATOM 1784 CA ARG A 225 -12.922 9.289 19.297 1.00 95.38 C -ATOM 1785 C ARG A 225 -14.016 8.227 19.328 1.00 95.38 C -ATOM 1786 CB ARG A 225 -13.320 10.414 18.328 1.00 95.38 C -ATOM 1787 O ARG A 225 -14.891 8.250 20.203 1.00 95.38 O -ATOM 1788 CG ARG A 225 -12.406 11.625 18.391 1.00 95.38 C -ATOM 1789 CD ARG A 225 -12.430 12.281 19.766 1.00 95.38 C -ATOM 1790 NE ARG A 225 -13.703 12.969 20.016 1.00 95.38 N -ATOM 1791 NH1 ARG A 225 -13.117 13.742 22.109 1.00 95.38 N -ATOM 1792 NH2 ARG A 225 -15.180 14.234 21.234 1.00 95.38 N -ATOM 1793 CZ ARG A 225 -13.992 13.648 21.109 1.00 95.38 C -ATOM 1794 N LEU A 226 -13.953 7.391 18.359 1.00 94.12 N -ATOM 1795 CA LEU A 226 -14.906 6.289 18.312 1.00 94.12 C -ATOM 1796 C LEU A 226 -14.836 5.445 19.578 1.00 94.12 C -ATOM 1797 CB LEU A 226 -14.641 5.410 17.078 1.00 94.12 C -ATOM 1798 O LEU A 226 -15.859 5.125 20.172 1.00 94.12 O -ATOM 1799 CG LEU A 226 -15.555 4.195 16.906 1.00 94.12 C -ATOM 1800 CD1 LEU A 226 -17.016 4.641 16.812 1.00 94.12 C -ATOM 1801 CD2 LEU A 226 -15.156 3.398 15.672 1.00 94.12 C -ATOM 1802 N LEU A 227 -13.672 5.172 19.984 1.00 95.62 N -ATOM 1803 CA LEU A 227 -13.484 4.352 21.172 1.00 95.62 C -ATOM 1804 C LEU A 227 -13.969 5.086 22.422 1.00 95.62 C -ATOM 1805 CB LEU A 227 -12.008 3.973 21.328 1.00 95.62 C -ATOM 1806 O LEU A 227 -14.578 4.477 23.312 1.00 95.62 O -ATOM 1807 CG LEU A 227 -11.469 2.926 20.359 1.00 95.62 C -ATOM 1808 CD1 LEU A 227 -9.969 2.730 20.562 1.00 95.62 C -ATOM 1809 CD2 LEU A 227 -12.211 1.605 20.531 1.00 95.62 C -ATOM 1810 N CYS A 228 -13.695 6.305 22.453 1.00 95.31 N -ATOM 1811 CA CYS A 228 -14.172 7.102 23.578 1.00 95.31 C -ATOM 1812 C CYS A 228 -15.695 7.098 23.656 1.00 95.31 C -ATOM 1813 CB CYS A 228 -13.664 8.539 23.469 1.00 95.31 C -ATOM 1814 O CYS A 228 -16.266 6.914 24.719 1.00 95.31 O -ATOM 1815 SG CYS A 228 -11.883 8.703 23.719 1.00 95.31 S -ATOM 1816 N ALA A 229 -16.297 7.242 22.578 1.00 92.75 N -ATOM 1817 CA ALA A 229 -17.750 7.328 22.500 1.00 92.75 C -ATOM 1818 C ALA A 229 -18.391 5.996 22.875 1.00 92.75 C -ATOM 1819 CB ALA A 229 -18.188 7.758 21.109 1.00 92.75 C -ATOM 1820 O ALA A 229 -19.375 5.961 23.625 1.00 92.75 O -ATOM 1821 N VAL A 230 -17.844 4.918 22.391 1.00 93.06 N -ATOM 1822 CA VAL A 230 -18.438 3.609 22.625 1.00 93.06 C -ATOM 1823 C VAL A 230 -18.234 3.207 24.078 1.00 93.06 C -ATOM 1824 CB VAL A 230 -17.844 2.535 21.688 1.00 93.06 C -ATOM 1825 O VAL A 230 -19.094 2.543 24.672 1.00 93.06 O -ATOM 1826 CG1 VAL A 230 -18.375 2.713 20.266 1.00 93.06 C -ATOM 1827 CG2 VAL A 230 -16.328 2.592 21.703 1.00 93.06 C -ATOM 1828 N LYS A 231 -17.094 3.643 24.672 1.00 94.62 N -ATOM 1829 CA LYS A 231 -16.828 3.359 26.078 1.00 94.62 C -ATOM 1830 C LYS A 231 -17.781 4.148 26.984 1.00 94.62 C -ATOM 1831 CB LYS A 231 -15.383 3.680 26.422 1.00 94.62 C -ATOM 1832 O LYS A 231 -18.250 3.629 27.984 1.00 94.62 O -ATOM 1833 CG LYS A 231 -14.375 2.662 25.906 1.00 94.62 C -ATOM 1834 CD LYS A 231 -12.969 2.967 26.391 1.00 94.62 C -ATOM 1835 CE LYS A 231 -12.000 1.848 26.031 1.00 94.62 C -ATOM 1836 NZ LYS A 231 -10.617 2.131 26.531 1.00 94.62 N -ATOM 1837 N GLU A 232 -18.000 5.340 26.641 1.00 94.38 N -ATOM 1838 CA GLU A 232 -18.938 6.180 27.375 1.00 94.38 C -ATOM 1839 C GLU A 232 -20.344 5.613 27.328 1.00 94.38 C -ATOM 1840 CB GLU A 232 -18.906 7.613 26.844 1.00 94.38 C -ATOM 1841 O GLU A 232 -21.062 5.613 28.328 1.00 94.38 O -ATOM 1842 CG GLU A 232 -17.641 8.375 27.172 1.00 94.38 C -ATOM 1843 CD GLU A 232 -17.609 9.781 26.594 1.00 94.38 C -ATOM 1844 OE1 GLU A 232 -16.609 10.500 26.781 1.00 94.38 O -ATOM 1845 OE2 GLU A 232 -18.609 10.172 25.953 1.00 94.38 O -ATOM 1846 N ALA A 233 -20.766 5.188 26.141 1.00 91.88 N -ATOM 1847 CA ALA A 233 -22.078 4.590 25.969 1.00 91.88 C -ATOM 1848 C ALA A 233 -22.219 3.309 26.781 1.00 91.88 C -ATOM 1849 CB ALA A 233 -22.344 4.309 24.484 1.00 91.88 C -ATOM 1850 O ALA A 233 -23.266 3.064 27.391 1.00 91.88 O -ATOM 1851 N ALA A 234 -21.156 2.527 26.844 1.00 94.50 N -ATOM 1852 CA ALA A 234 -21.156 1.285 27.609 1.00 94.50 C -ATOM 1853 C ALA A 234 -21.234 1.565 29.109 1.00 94.50 C -ATOM 1854 CB ALA A 234 -19.922 0.460 27.281 1.00 94.50 C -ATOM 1855 O ALA A 234 -21.906 0.843 29.859 1.00 94.50 O -ATOM 1856 N ALA A 235 -20.531 2.590 29.484 1.00 95.88 N -ATOM 1857 CA ALA A 235 -20.531 2.975 30.891 1.00 95.88 C -ATOM 1858 C ALA A 235 -21.906 3.469 31.328 1.00 95.88 C -ATOM 1859 CB ALA A 235 -19.469 4.047 31.141 1.00 95.88 C -ATOM 1860 O ALA A 235 -22.328 3.217 32.469 1.00 95.88 O -ATOM 1861 N ALA A 236 -22.578 4.145 30.453 1.00 95.88 N -ATOM 1862 CA ALA A 236 -23.906 4.703 30.734 1.00 95.88 C -ATOM 1863 C ALA A 236 -24.969 3.613 30.750 1.00 95.88 C -ATOM 1864 CB ALA A 236 -24.250 5.789 29.719 1.00 95.88 C -ATOM 1865 O ALA A 236 -26.000 3.748 31.406 1.00 95.88 O -ATOM 1866 N GLN A 237 -24.734 2.545 30.000 1.00 94.31 N -ATOM 1867 CA GLN A 237 -25.688 1.440 29.875 1.00 94.31 C -ATOM 1868 C GLN A 237 -25.062 0.130 30.344 1.00 94.31 C -ATOM 1869 CB GLN A 237 -26.188 1.304 28.438 1.00 94.31 C -ATOM 1870 O GLN A 237 -24.953 -0.823 29.578 1.00 94.31 O -ATOM 1871 CG GLN A 237 -26.953 2.514 27.938 1.00 94.31 C -ATOM 1872 CD GLN A 237 -27.531 2.311 26.547 1.00 94.31 C -ATOM 1873 NE2 GLN A 237 -28.844 2.193 26.453 1.00 94.31 N -ATOM 1874 OE1 GLN A 237 -26.781 2.260 25.562 1.00 94.31 O -ATOM 1875 N GLN A 238 -24.734 0.060 31.625 1.00 92.62 N -ATOM 1876 CA GLN A 238 -23.969 -1.062 32.156 1.00 92.62 C -ATOM 1877 C GLN A 238 -24.828 -2.326 32.219 1.00 92.62 C -ATOM 1878 CB GLN A 238 -23.438 -0.725 33.562 1.00 92.62 C -ATOM 1879 O GLN A 238 -24.297 -3.439 32.125 1.00 92.62 O -ATOM 1880 CG GLN A 238 -22.312 0.298 33.562 1.00 92.62 C -ATOM 1881 CD GLN A 238 -21.719 0.545 34.938 1.00 92.62 C -ATOM 1882 NE2 GLN A 238 -20.422 0.797 35.000 1.00 92.62 N -ATOM 1883 OE1 GLN A 238 -22.438 0.510 35.938 1.00 92.62 O -ATOM 1884 N GLU A 239 -26.109 -2.113 32.188 1.00 94.94 N -ATOM 1885 CA GLU A 239 -26.984 -3.271 32.344 1.00 94.94 C -ATOM 1886 C GLU A 239 -27.312 -3.883 30.969 1.00 94.94 C -ATOM 1887 CB GLU A 239 -28.281 -2.883 33.062 1.00 94.94 C -ATOM 1888 O GLU A 239 -27.828 -5.004 30.891 1.00 94.94 O -ATOM 1889 CG GLU A 239 -28.062 -2.467 34.500 1.00 94.94 C -ATOM 1890 CD GLU A 239 -29.359 -2.152 35.219 1.00 94.94 C -ATOM 1891 OE1 GLU A 239 -29.328 -1.927 36.469 1.00 94.94 O -ATOM 1892 OE2 GLU A 239 -30.422 -2.135 34.562 1.00 94.94 O -ATOM 1893 N SER A 240 -27.000 -3.141 29.938 1.00 95.12 N -ATOM 1894 CA SER A 240 -27.312 -3.613 28.594 1.00 95.12 C -ATOM 1895 C SER A 240 -26.188 -4.500 28.047 1.00 95.12 C -ATOM 1896 CB SER A 240 -27.531 -2.432 27.656 1.00 95.12 C -ATOM 1897 O SER A 240 -25.094 -4.023 27.781 1.00 95.12 O -ATOM 1898 OG SER A 240 -27.797 -2.885 26.328 1.00 95.12 O -ATOM 1899 N GLU A 241 -26.438 -5.793 27.984 1.00 94.00 N -ATOM 1900 CA GLU A 241 -25.484 -6.766 27.469 1.00 94.00 C -ATOM 1901 C GLU A 241 -25.141 -6.480 26.016 1.00 94.00 C -ATOM 1902 CB GLU A 241 -26.031 -8.188 27.609 1.00 94.00 C -ATOM 1903 O GLU A 241 -24.000 -6.645 25.594 1.00 94.00 O -ATOM 1904 CG GLU A 241 -26.047 -8.695 29.047 1.00 94.00 C -ATOM 1905 CD GLU A 241 -26.562 -10.117 29.172 1.00 94.00 C -ATOM 1906 OE1 GLU A 241 -26.562 -10.672 30.297 1.00 94.00 O -ATOM 1907 OE2 GLU A 241 -26.984 -10.688 28.141 1.00 94.00 O -ATOM 1908 N THR A 242 -26.172 -6.039 25.266 1.00 91.88 N -ATOM 1909 CA THR A 242 -25.984 -5.754 23.859 1.00 91.88 C -ATOM 1910 C THR A 242 -25.000 -4.598 23.656 1.00 91.88 C -ATOM 1911 CB THR A 242 -27.328 -5.422 23.172 1.00 91.88 C -ATOM 1912 O THR A 242 -24.156 -4.645 22.766 1.00 91.88 O -ATOM 1913 CG2 THR A 242 -28.250 -6.633 23.156 1.00 91.88 C -ATOM 1914 OG1 THR A 242 -27.953 -4.352 23.875 1.00 91.88 O -ATOM 1915 N THR A 243 -25.156 -3.574 24.453 1.00 92.00 N -ATOM 1916 CA THR A 243 -24.281 -2.412 24.391 1.00 92.00 C -ATOM 1917 C THR A 243 -22.844 -2.785 24.766 1.00 92.00 C -ATOM 1918 CB THR A 243 -24.781 -1.276 25.297 1.00 92.00 C -ATOM 1919 O THR A 243 -21.891 -2.326 24.141 1.00 92.00 O -ATOM 1920 CG2 THR A 243 -23.891 -0.039 25.172 1.00 92.00 C -ATOM 1921 OG1 THR A 243 -26.125 -0.933 24.938 1.00 92.00 O -ATOM 1922 N GLN A 244 -22.672 -3.639 25.719 1.00 94.19 N -ATOM 1923 CA GLN A 244 -21.344 -4.074 26.156 1.00 94.19 C -ATOM 1924 C GLN A 244 -20.656 -4.910 25.078 1.00 94.19 C -ATOM 1925 CB GLN A 244 -21.438 -4.867 27.469 1.00 94.19 C -ATOM 1926 O GLN A 244 -19.469 -4.770 24.844 1.00 94.19 O -ATOM 1927 CG GLN A 244 -21.875 -4.035 28.656 1.00 94.19 C -ATOM 1928 CD GLN A 244 -20.891 -2.928 29.000 1.00 94.19 C -ATOM 1929 NE2 GLN A 244 -21.406 -1.712 29.156 1.00 94.19 N -ATOM 1930 OE1 GLN A 244 -19.688 -3.164 29.109 1.00 94.19 O -ATOM 1931 N ARG A 245 -21.453 -5.750 24.500 1.00 92.38 N -ATOM 1932 CA ARG A 245 -20.938 -6.590 23.422 1.00 92.38 C -ATOM 1933 C ARG A 245 -20.500 -5.746 22.234 1.00 92.38 C -ATOM 1934 CB ARG A 245 -22.000 -7.605 22.984 1.00 92.38 C -ATOM 1935 O ARG A 245 -19.453 -6.000 21.641 1.00 92.38 O -ATOM 1936 CG ARG A 245 -21.500 -8.602 21.953 1.00 92.38 C -ATOM 1937 CD ARG A 245 -22.578 -9.633 21.594 1.00 92.38 C -ATOM 1938 NE ARG A 245 -22.109 -10.547 20.562 1.00 92.38 N -ATOM 1939 NH1 ARG A 245 -24.078 -11.758 20.484 1.00 92.38 N -ATOM 1940 NH2 ARG A 245 -22.328 -12.312 19.109 1.00 92.38 N -ATOM 1941 CZ ARG A 245 -22.844 -11.539 20.047 1.00 92.38 C -ATOM 1942 N ALA A 246 -21.359 -4.812 21.891 1.00 88.88 N -ATOM 1943 CA ALA A 246 -21.031 -3.912 20.797 1.00 88.88 C -ATOM 1944 C ALA A 246 -19.734 -3.158 21.062 1.00 88.88 C -ATOM 1945 CB ALA A 246 -22.172 -2.928 20.547 1.00 88.88 C -ATOM 1946 O ALA A 246 -18.906 -2.992 20.172 1.00 88.88 O -ATOM 1947 N GLU A 247 -19.625 -2.695 22.266 1.00 93.56 N -ATOM 1948 CA GLU A 247 -18.391 -2.012 22.656 1.00 93.56 C -ATOM 1949 C GLU A 247 -17.172 -2.908 22.453 1.00 93.56 C -ATOM 1950 CB GLU A 247 -18.469 -1.550 24.109 1.00 93.56 C -ATOM 1951 O GLU A 247 -16.156 -2.471 21.922 1.00 93.56 O -ATOM 1952 CG GLU A 247 -17.281 -0.721 24.562 1.00 93.56 C -ATOM 1953 CD GLU A 247 -16.125 -1.563 25.078 1.00 93.56 C -ATOM 1954 OE1 GLU A 247 -14.977 -1.055 25.141 1.00 93.56 O -ATOM 1955 OE2 GLU A 247 -16.359 -2.742 25.422 1.00 93.56 O -ATOM 1956 N ARG A 248 -17.188 -4.121 22.891 1.00 92.88 N -ATOM 1957 CA ARG A 248 -16.078 -5.059 22.766 1.00 92.88 C -ATOM 1958 C ARG A 248 -15.766 -5.336 21.297 1.00 92.88 C -ATOM 1959 CB ARG A 248 -16.391 -6.367 23.500 1.00 92.88 C -ATOM 1960 O ARG A 248 -14.594 -5.387 20.906 1.00 92.88 O -ATOM 1961 CG ARG A 248 -16.328 -6.262 25.000 1.00 92.88 C -ATOM 1962 CD ARG A 248 -16.625 -7.594 25.672 1.00 92.88 C -ATOM 1963 NE ARG A 248 -16.953 -7.426 27.094 1.00 92.88 N -ATOM 1964 NH1 ARG A 248 -17.656 -9.609 27.391 1.00 92.88 N -ATOM 1965 NH2 ARG A 248 -17.719 -8.125 29.141 1.00 92.88 N -ATOM 1966 CZ ARG A 248 -17.453 -8.383 27.875 1.00 92.88 C -ATOM 1967 N GLU A 249 -16.781 -5.461 20.531 1.00 89.69 N -ATOM 1968 CA GLU A 249 -16.594 -5.770 19.125 1.00 89.69 C -ATOM 1969 C GLU A 249 -15.953 -4.602 18.375 1.00 89.69 C -ATOM 1970 CB GLU A 249 -17.938 -6.121 18.469 1.00 89.69 C -ATOM 1971 O GLU A 249 -15.039 -4.805 17.578 1.00 89.69 O -ATOM 1972 CG GLU A 249 -18.469 -7.496 18.859 1.00 89.69 C -ATOM 1973 CD GLU A 249 -19.797 -7.844 18.188 1.00 89.69 C -ATOM 1974 OE1 GLU A 249 -20.297 -8.977 18.375 1.00 89.69 O -ATOM 1975 OE2 GLU A 249 -20.328 -6.977 17.469 1.00 89.69 O -ATOM 1976 N VAL A 250 -16.469 -3.457 18.719 1.00 89.62 N -ATOM 1977 CA VAL A 250 -15.945 -2.270 18.047 1.00 89.62 C -ATOM 1978 C VAL A 250 -14.500 -2.045 18.469 1.00 89.62 C -ATOM 1979 CB VAL A 250 -16.797 -1.019 18.375 1.00 89.62 C -ATOM 1980 O VAL A 250 -13.648 -1.727 17.641 1.00 89.62 O -ATOM 1981 CG1 VAL A 250 -16.109 0.244 17.859 1.00 89.62 C -ATOM 1982 CG2 VAL A 250 -18.203 -1.155 17.781 1.00 89.62 C -ATOM 1983 N THR A 251 -14.242 -2.229 19.734 1.00 92.50 N -ATOM 1984 CA THR A 251 -12.883 -2.066 20.250 1.00 92.50 C -ATOM 1985 C THR A 251 -11.930 -3.049 19.562 1.00 92.50 C -ATOM 1986 CB THR A 251 -12.836 -2.270 21.766 1.00 92.50 C -ATOM 1987 O THR A 251 -10.836 -2.668 19.141 1.00 92.50 O -ATOM 1988 CG2 THR A 251 -11.414 -2.127 22.297 1.00 92.50 C -ATOM 1989 OG1 THR A 251 -13.664 -1.291 22.406 1.00 92.50 O -ATOM 1990 N ARG A 252 -12.344 -4.258 19.469 1.00 91.38 N -ATOM 1991 CA ARG A 252 -11.547 -5.285 18.797 1.00 91.38 C -ATOM 1992 C ARG A 252 -11.297 -4.922 17.344 1.00 91.38 C -ATOM 1993 CB ARG A 252 -12.242 -6.645 18.891 1.00 91.38 C -ATOM 1994 O ARG A 252 -10.172 -5.043 16.844 1.00 91.38 O -ATOM 1995 CG ARG A 252 -11.438 -7.789 18.297 1.00 91.38 C -ATOM 1996 CD ARG A 252 -12.117 -9.133 18.516 1.00 91.38 C -ATOM 1997 NE ARG A 252 -13.406 -9.203 17.828 1.00 91.38 N -ATOM 1998 NH1 ARG A 252 -13.906 -11.344 18.547 1.00 91.38 N -ATOM 1999 NH2 ARG A 252 -15.367 -10.211 17.188 1.00 91.38 N -ATOM 2000 CZ ARG A 252 -14.227 -10.250 17.859 1.00 91.38 C -ATOM 2001 N MET A 253 -12.297 -4.496 16.688 1.00 89.06 N -ATOM 2002 CA MET A 253 -12.203 -4.105 15.281 1.00 89.06 C -ATOM 2003 C MET A 253 -11.219 -2.961 15.102 1.00 89.06 C -ATOM 2004 CB MET A 253 -13.578 -3.705 14.742 1.00 89.06 C -ATOM 2005 O MET A 253 -10.359 -3.006 14.211 1.00 89.06 O -ATOM 2006 CG MET A 253 -13.562 -3.283 13.281 1.00 89.06 C -ATOM 2007 SD MET A 253 -15.078 -2.359 12.805 1.00 89.06 S -ATOM 2008 CE MET A 253 -14.625 -0.696 13.375 1.00 89.06 C -ATOM 2009 N VAL A 254 -11.305 -1.971 15.922 1.00 90.56 N -ATOM 2010 CA VAL A 254 -10.453 -0.790 15.836 1.00 90.56 C -ATOM 2011 C VAL A 254 -8.992 -1.187 16.078 1.00 90.56 C -ATOM 2012 CB VAL A 254 -10.883 0.296 16.844 1.00 90.56 C -ATOM 2013 O VAL A 254 -8.102 -0.781 15.320 1.00 90.56 O -ATOM 2014 CG1 VAL A 254 -9.805 1.378 16.969 1.00 90.56 C -ATOM 2015 CG2 VAL A 254 -12.219 0.907 16.438 1.00 90.56 C -ATOM 2016 N ILE A 255 -8.750 -2.000 17.062 1.00 91.56 N -ATOM 2017 CA ILE A 255 -7.395 -2.432 17.391 1.00 91.56 C -ATOM 2018 C ILE A 255 -6.793 -3.197 16.219 1.00 91.56 C -ATOM 2019 CB ILE A 255 -7.379 -3.305 18.672 1.00 91.56 C -ATOM 2020 O ILE A 255 -5.664 -2.926 15.805 1.00 91.56 O -ATOM 2021 CG1 ILE A 255 -7.699 -2.455 19.906 1.00 91.56 C -ATOM 2022 CG2 ILE A 255 -6.027 -4.008 18.828 1.00 91.56 C -ATOM 2023 CD1 ILE A 255 -7.871 -3.264 21.188 1.00 91.56 C -ATOM 2024 N LEU A 256 -7.566 -4.086 15.641 1.00 89.81 N -ATOM 2025 CA LEU A 256 -7.102 -4.906 14.523 1.00 89.81 C -ATOM 2026 C LEU A 256 -6.824 -4.043 13.297 1.00 89.81 C -ATOM 2027 CB LEU A 256 -8.133 -5.984 14.180 1.00 89.81 C -ATOM 2028 O LEU A 256 -5.820 -4.242 12.602 1.00 89.81 O -ATOM 2029 CG LEU A 256 -8.250 -7.148 15.164 1.00 89.81 C -ATOM 2030 CD1 LEU A 256 -9.422 -8.047 14.789 1.00 89.81 C -ATOM 2031 CD2 LEU A 256 -6.949 -7.945 15.203 1.00 89.81 C -ATOM 2032 N MET A 257 -7.582 -3.111 13.055 1.00 87.75 N -ATOM 2033 CA MET A 257 -7.449 -2.254 11.875 1.00 87.75 C -ATOM 2034 C MET A 257 -6.234 -1.339 12.008 1.00 87.75 C -ATOM 2035 CB MET A 257 -8.711 -1.418 11.672 1.00 87.75 C -ATOM 2036 O MET A 257 -5.488 -1.153 11.047 1.00 87.75 O -ATOM 2037 CG MET A 257 -9.898 -2.217 11.156 1.00 87.75 C -ATOM 2038 SD MET A 257 -11.383 -1.173 10.875 1.00 87.75 S -ATOM 2039 CE MET A 257 -10.914 -0.368 9.320 1.00 87.75 C -ATOM 2040 N VAL A 258 -6.031 -0.784 13.234 1.00 91.44 N -ATOM 2041 CA VAL A 258 -4.906 0.113 13.469 1.00 91.44 C -ATOM 2042 C VAL A 258 -3.598 -0.669 13.383 1.00 91.44 C -ATOM 2043 CB VAL A 258 -5.020 0.821 14.836 1.00 91.44 C -ATOM 2044 O VAL A 258 -2.654 -0.243 12.719 1.00 91.44 O -ATOM 2045 CG1 VAL A 258 -3.721 1.550 15.180 1.00 91.44 C -ATOM 2046 CG2 VAL A 258 -6.199 1.793 14.836 1.00 91.44 C -ATOM 2047 N ILE A 259 -3.598 -1.782 14.070 1.00 91.88 N -ATOM 2048 CA ILE A 259 -2.406 -2.623 14.023 1.00 91.88 C -ATOM 2049 C ILE A 259 -2.150 -3.086 12.594 1.00 91.88 C -ATOM 2050 CB ILE A 259 -2.543 -3.842 14.969 1.00 91.88 C -ATOM 2051 O ILE A 259 -1.011 -3.070 12.125 1.00 91.88 O -ATOM 2052 CG1 ILE A 259 -2.484 -3.396 16.438 1.00 91.88 C -ATOM 2053 CG2 ILE A 259 -1.457 -4.879 14.664 1.00 91.88 C -ATOM 2054 CD1 ILE A 259 -2.775 -4.508 17.438 1.00 91.88 C -ATOM 2055 N GLY A 260 -3.209 -3.482 11.945 1.00 89.81 N -ATOM 2056 CA GLY A 260 -3.100 -3.871 10.547 1.00 89.81 C -ATOM 2057 C GLY A 260 -2.521 -2.779 9.672 1.00 89.81 C -ATOM 2058 O GLY A 260 -1.644 -3.041 8.844 1.00 89.81 O -ATOM 2059 N TYR A 261 -2.975 -1.589 9.906 1.00 89.12 N -ATOM 2060 CA TYR A 261 -2.473 -0.440 9.164 1.00 89.12 C -ATOM 2061 C TYR A 261 -0.985 -0.231 9.422 1.00 89.12 C -ATOM 2062 CB TYR A 261 -3.250 0.826 9.539 1.00 89.12 C -ATOM 2063 O TYR A 261 -0.201 -0.078 8.477 1.00 89.12 O -ATOM 2064 CG TYR A 261 -2.789 2.061 8.797 1.00 89.12 C -ATOM 2065 CD1 TYR A 261 -1.807 2.889 9.336 1.00 89.12 C -ATOM 2066 CD2 TYR A 261 -3.338 2.402 7.570 1.00 89.12 C -ATOM 2067 CE1 TYR A 261 -1.381 4.031 8.664 1.00 89.12 C -ATOM 2068 CE2 TYR A 261 -2.922 3.539 6.887 1.00 89.12 C -ATOM 2069 OH TYR A 261 -1.526 5.473 6.766 1.00 89.12 O -ATOM 2070 CZ TYR A 261 -1.943 4.348 7.438 1.00 89.12 C -ATOM 2071 N LEU A 262 -0.569 -0.261 10.617 1.00 93.44 N -ATOM 2072 CA LEU A 262 0.814 -0.002 11.008 1.00 93.44 C -ATOM 2073 C LEU A 262 1.739 -1.096 10.484 1.00 93.44 C -ATOM 2074 CB LEU A 262 0.936 0.098 12.531 1.00 93.44 C -ATOM 2075 O LEU A 262 2.826 -0.806 9.977 1.00 93.44 O -ATOM 2076 CG LEU A 262 0.269 1.310 13.180 1.00 93.44 C -ATOM 2077 CD1 LEU A 262 0.374 1.215 14.703 1.00 93.44 C -ATOM 2078 CD2 LEU A 262 0.897 2.604 12.680 1.00 93.44 C -ATOM 2079 N VAL A 263 1.295 -2.281 10.570 1.00 93.31 N -ATOM 2080 CA VAL A 263 2.107 -3.418 10.148 1.00 93.31 C -ATOM 2081 C VAL A 263 2.283 -3.395 8.633 1.00 93.31 C -ATOM 2082 CB VAL A 263 1.478 -4.758 10.594 1.00 93.31 C -ATOM 2083 O VAL A 263 3.361 -3.705 8.117 1.00 93.31 O -ATOM 2084 CG1 VAL A 263 2.139 -5.930 9.867 1.00 93.31 C -ATOM 2085 CG2 VAL A 263 1.593 -4.926 12.102 1.00 93.31 C -ATOM 2086 N CYS A 264 1.321 -2.895 7.934 1.00 92.69 N -ATOM 2087 CA CYS A 264 1.350 -2.947 6.477 1.00 92.69 C -ATOM 2088 C CYS A 264 2.127 -1.768 5.902 1.00 92.69 C -ATOM 2089 CB CYS A 264 -0.071 -2.955 5.914 1.00 92.69 C -ATOM 2090 O CYS A 264 2.898 -1.929 4.957 1.00 92.69 O -ATOM 2091 SG CYS A 264 -0.945 -4.516 6.168 1.00 92.69 S -ATOM 2092 N TRP A 265 2.057 -0.647 6.512 1.00 93.75 N -ATOM 2093 CA TRP A 265 2.539 0.525 5.793 1.00 93.75 C -ATOM 2094 C TRP A 265 3.707 1.175 6.527 1.00 93.75 C -ATOM 2095 CB TRP A 265 1.411 1.542 5.602 1.00 93.75 C -ATOM 2096 O TRP A 265 4.574 1.792 5.906 1.00 93.75 O -ATOM 2097 CG TRP A 265 0.236 1.012 4.836 1.00 93.75 C -ATOM 2098 CD1 TRP A 265 -0.971 0.623 5.344 1.00 93.75 C -ATOM 2099 CD2 TRP A 265 0.160 0.806 3.420 1.00 93.75 C -ATOM 2100 CE2 TRP A 265 -1.125 0.291 3.141 1.00 93.75 C -ATOM 2101 CE3 TRP A 265 1.055 1.009 2.361 1.00 93.75 C -ATOM 2102 NE1 TRP A 265 -1.795 0.189 4.332 1.00 93.75 N -ATOM 2103 CH2 TRP A 265 -0.643 0.183 0.827 1.00 93.75 C -ATOM 2104 CZ2 TRP A 265 -1.537 -0.024 1.845 1.00 93.75 C -ATOM 2105 CZ3 TRP A 265 0.642 0.694 1.071 1.00 93.75 C -ATOM 2106 N LEU A 266 3.760 1.053 7.820 1.00 94.88 N -ATOM 2107 CA LEU A 266 4.746 1.780 8.609 1.00 94.88 C -ATOM 2108 C LEU A 266 6.160 1.285 8.305 1.00 94.88 C -ATOM 2109 CB LEU A 266 4.453 1.632 10.102 1.00 94.88 C -ATOM 2110 O LEU A 266 7.082 2.088 8.148 1.00 94.88 O -ATOM 2111 CG LEU A 266 5.312 2.473 11.047 1.00 94.88 C -ATOM 2112 CD1 LEU A 266 5.188 3.953 10.703 1.00 94.88 C -ATOM 2113 CD2 LEU A 266 4.910 2.223 12.500 1.00 94.88 C -ATOM 2114 N PRO A 267 6.355 0.024 8.164 1.00 97.00 N -ATOM 2115 CA PRO A 267 7.719 -0.424 7.859 1.00 97.00 C -ATOM 2116 C PRO A 267 8.258 0.156 6.555 1.00 97.00 C -ATOM 2117 CB PRO A 267 7.574 -1.945 7.766 1.00 97.00 C -ATOM 2118 O PRO A 267 9.375 0.669 6.516 1.00 97.00 O -ATOM 2119 CG PRO A 267 6.457 -2.283 8.695 1.00 97.00 C -ATOM 2120 CD PRO A 267 5.406 -1.216 8.594 1.00 97.00 C -ATOM 2121 N TYR A 268 7.469 0.058 5.492 1.00 95.69 N -ATOM 2122 CA TYR A 268 7.875 0.591 4.195 1.00 95.69 C -ATOM 2123 C TYR A 268 8.078 2.100 4.266 1.00 95.69 C -ATOM 2124 CB TYR A 268 6.832 0.253 3.125 1.00 95.69 C -ATOM 2125 O TYR A 268 9.086 2.621 3.793 1.00 95.69 O -ATOM 2126 CG TYR A 268 7.258 0.624 1.725 1.00 95.69 C -ATOM 2127 CD1 TYR A 268 6.883 1.842 1.162 1.00 95.69 C -ATOM 2128 CD2 TYR A 268 8.031 -0.243 0.963 1.00 95.69 C -ATOM 2129 CE1 TYR A 268 7.273 2.188 -0.128 1.00 95.69 C -ATOM 2130 CE2 TYR A 268 8.430 0.092 -0.328 1.00 95.69 C -ATOM 2131 OH TYR A 268 8.430 1.645 -2.143 1.00 95.69 O -ATOM 2132 CZ TYR A 268 8.047 1.308 -0.864 1.00 95.69 C -ATOM 2133 N ALA A 269 7.207 2.762 4.906 1.00 96.06 N -ATOM 2134 CA ALA A 269 7.289 4.215 5.020 1.00 96.06 C -ATOM 2135 C ALA A 269 8.531 4.633 5.805 1.00 96.06 C -ATOM 2136 CB ALA A 269 6.031 4.770 5.688 1.00 96.06 C -ATOM 2137 O ALA A 269 9.195 5.609 5.449 1.00 96.06 O -ATOM 2138 N SER A 270 8.812 3.930 6.836 1.00 96.19 N -ATOM 2139 CA SER A 270 9.953 4.246 7.695 1.00 96.19 C -ATOM 2140 C SER A 270 11.273 4.090 6.949 1.00 96.19 C -ATOM 2141 CB SER A 270 9.945 3.352 8.938 1.00 96.19 C -ATOM 2142 O SER A 270 12.141 4.961 7.020 1.00 96.19 O -ATOM 2143 OG SER A 270 8.797 3.588 9.727 1.00 96.19 O -ATOM 2144 N VAL A 271 11.367 3.020 6.270 1.00 95.31 N -ATOM 2145 CA VAL A 271 12.594 2.756 5.523 1.00 95.31 C -ATOM 2146 C VAL A 271 12.734 3.771 4.395 1.00 95.31 C -ATOM 2147 CB VAL A 271 12.609 1.319 4.957 1.00 95.31 C -ATOM 2148 O VAL A 271 13.828 4.293 4.152 1.00 95.31 O -ATOM 2149 CG1 VAL A 271 13.750 1.154 3.953 1.00 95.31 C -ATOM 2150 CG2 VAL A 271 12.742 0.301 6.086 1.00 95.31 C -ATOM 2151 N ALA A 272 11.641 4.031 3.703 1.00 95.38 N -ATOM 2152 CA ALA A 272 11.672 5.035 2.639 1.00 95.38 C -ATOM 2153 C ALA A 272 12.141 6.387 3.172 1.00 95.38 C -ATOM 2154 CB ALA A 272 10.297 5.168 1.992 1.00 95.38 C -ATOM 2155 O ALA A 272 12.969 7.059 2.545 1.00 95.38 O -ATOM 2156 N TRP A 273 11.609 6.723 4.324 1.00 96.56 N -ATOM 2157 CA TRP A 273 11.977 7.992 4.941 1.00 96.56 C -ATOM 2158 C TRP A 273 13.445 7.992 5.359 1.00 96.56 C -ATOM 2159 CB TRP A 273 11.086 8.273 6.152 1.00 96.56 C -ATOM 2160 O TRP A 273 14.148 8.984 5.164 1.00 96.56 O -ATOM 2161 CG TRP A 273 11.328 9.617 6.785 1.00 96.56 C -ATOM 2162 CD1 TRP A 273 11.977 9.867 7.961 1.00 96.56 C -ATOM 2163 CD2 TRP A 273 10.914 10.891 6.277 1.00 96.56 C -ATOM 2164 CE2 TRP A 273 11.352 11.867 7.199 1.00 96.56 C -ATOM 2165 CE3 TRP A 273 10.219 11.297 5.133 1.00 96.56 C -ATOM 2166 NE1 TRP A 273 12.000 11.219 8.211 1.00 96.56 N -ATOM 2167 CH2 TRP A 273 10.430 13.602 5.879 1.00 96.56 C -ATOM 2168 CZ2 TRP A 273 11.117 13.227 7.008 1.00 96.56 C -ATOM 2169 CZ3 TRP A 273 9.984 12.648 4.945 1.00 96.56 C -ATOM 2170 N PHE A 274 13.828 6.941 5.910 1.00 95.44 N -ATOM 2171 CA PHE A 274 15.219 6.824 6.332 1.00 95.44 C -ATOM 2172 C PHE A 274 16.156 7.008 5.148 1.00 95.44 C -ATOM 2173 CB PHE A 274 15.469 5.465 6.992 1.00 95.44 C -ATOM 2174 O PHE A 274 17.125 7.766 5.230 1.00 95.44 O -ATOM 2175 CG PHE A 274 16.906 5.223 7.359 1.00 95.44 C -ATOM 2176 CD1 PHE A 274 17.734 4.492 6.520 1.00 95.44 C -ATOM 2177 CD2 PHE A 274 17.422 5.727 8.547 1.00 95.44 C -ATOM 2178 CE1 PHE A 274 19.078 4.270 6.855 1.00 95.44 C -ATOM 2179 CE2 PHE A 274 18.750 5.508 8.891 1.00 95.44 C -ATOM 2180 CZ PHE A 274 19.578 4.777 8.039 1.00 95.44 C -ATOM 2181 N ILE A 275 15.891 6.312 4.070 1.00 93.12 N -ATOM 2182 CA ILE A 275 16.719 6.395 2.873 1.00 93.12 C -ATOM 2183 C ILE A 275 16.719 7.832 2.350 1.00 93.12 C -ATOM 2184 CB ILE A 275 16.219 5.430 1.776 1.00 93.12 C -ATOM 2185 O ILE A 275 17.766 8.344 1.948 1.00 93.12 O -ATOM 2186 CG1 ILE A 275 16.469 3.975 2.195 1.00 93.12 C -ATOM 2187 CG2 ILE A 275 16.906 5.738 0.438 1.00 93.12 C -ATOM 2188 CD1 ILE A 275 15.805 2.947 1.288 1.00 93.12 C -ATOM 2189 N PHE A 276 15.633 8.430 2.461 1.00 93.94 N -ATOM 2190 CA PHE A 276 15.469 9.797 1.981 1.00 93.94 C -ATOM 2191 C PHE A 276 16.312 10.766 2.809 1.00 93.94 C -ATOM 2192 CB PHE A 276 13.992 10.211 2.025 1.00 93.94 C -ATOM 2193 O PHE A 276 16.984 11.625 2.256 1.00 93.94 O -ATOM 2194 CG PHE A 276 13.773 11.688 1.838 1.00 93.94 C -ATOM 2195 CD1 PHE A 276 13.266 12.461 2.875 1.00 93.94 C -ATOM 2196 CD2 PHE A 276 14.062 12.297 0.625 1.00 93.94 C -ATOM 2197 CE1 PHE A 276 13.062 13.828 2.703 1.00 93.94 C -ATOM 2198 CE2 PHE A 276 13.859 13.664 0.448 1.00 93.94 C -ATOM 2199 CZ PHE A 276 13.359 14.430 1.487 1.00 93.94 C -ATOM 2200 N THR A 277 16.375 10.648 4.121 1.00 94.50 N -ATOM 2201 CA THR A 277 17.047 11.602 5.000 1.00 94.50 C -ATOM 2202 C THR A 277 18.516 11.266 5.137 1.00 94.50 C -ATOM 2203 CB THR A 277 16.391 11.633 6.391 1.00 94.50 C -ATOM 2204 O THR A 277 19.328 12.125 5.496 1.00 94.50 O -ATOM 2205 CG2 THR A 277 14.961 12.164 6.320 1.00 94.50 C -ATOM 2206 OG1 THR A 277 16.359 10.305 6.930 1.00 94.50 O -ATOM 2207 N HIS A 278 18.906 10.094 4.836 1.00 91.81 N -ATOM 2208 CA HIS A 278 20.281 9.641 4.988 1.00 91.81 C -ATOM 2209 C HIS A 278 20.891 9.273 3.639 1.00 91.81 C -ATOM 2210 CB HIS A 278 20.359 8.453 5.945 1.00 91.81 C -ATOM 2211 O HIS A 278 21.297 8.125 3.430 1.00 91.81 O -ATOM 2212 CG HIS A 278 19.969 8.781 7.348 1.00 91.81 C -ATOM 2213 CD2 HIS A 278 20.703 8.930 8.469 1.00 91.81 C -ATOM 2214 ND1 HIS A 278 18.656 9.008 7.723 1.00 91.81 N -ATOM 2215 CE1 HIS A 278 18.609 9.273 9.016 1.00 91.81 C -ATOM 2216 NE2 HIS A 278 19.844 9.234 9.492 1.00 91.81 N -ATOM 2217 N GLN A 279 21.000 10.312 2.744 1.00 85.44 N -ATOM 2218 CA GLN A 279 21.578 10.070 1.421 1.00 85.44 C -ATOM 2219 C GLN A 279 23.031 9.656 1.517 1.00 85.44 C -ATOM 2220 CB GLN A 279 21.438 11.312 0.543 1.00 85.44 C -ATOM 2221 O GLN A 279 23.812 10.258 2.260 1.00 85.44 O -ATOM 2222 CG GLN A 279 20.000 11.633 0.143 1.00 85.44 C -ATOM 2223 CD GLN A 279 19.438 10.633 -0.848 1.00 85.44 C -ATOM 2224 NE2 GLN A 279 18.266 10.086 -0.533 1.00 85.44 N -ATOM 2225 OE1 GLN A 279 20.047 10.359 -1.888 1.00 85.44 O -ATOM 2226 N GLY A 280 23.297 8.625 0.982 1.00 79.19 N -ATOM 2227 CA GLY A 280 24.672 8.141 0.967 1.00 79.19 C -ATOM 2228 C GLY A 280 24.891 6.977 1.909 1.00 79.19 C -ATOM 2229 O GLY A 280 26.000 6.434 1.975 1.00 79.19 O -ATOM 2230 N SER A 281 23.875 6.695 2.760 1.00 83.62 N -ATOM 2231 CA SER A 281 24.016 5.578 3.688 1.00 83.62 C -ATOM 2232 C SER A 281 24.094 4.250 2.945 1.00 83.62 C -ATOM 2233 CB SER A 281 22.844 5.551 4.672 1.00 83.62 C -ATOM 2234 O SER A 281 23.594 4.121 1.831 1.00 83.62 O -ATOM 2235 OG SER A 281 21.625 5.375 3.990 1.00 83.62 O -ATOM 2236 N GLU A 282 24.844 3.342 3.553 1.00 80.25 N -ATOM 2237 CA GLU A 282 24.969 2.002 2.986 1.00 80.25 C -ATOM 2238 C GLU A 282 23.844 1.091 3.471 1.00 80.25 C -ATOM 2239 CB GLU A 282 26.328 1.393 3.340 1.00 80.25 C -ATOM 2240 O GLU A 282 23.625 0.965 4.676 1.00 80.25 O -ATOM 2241 CG GLU A 282 27.516 2.125 2.721 1.00 80.25 C -ATOM 2242 CD GLU A 282 28.844 1.447 2.988 1.00 80.25 C -ATOM 2243 OE1 GLU A 282 29.875 1.912 2.459 1.00 80.25 O -ATOM 2244 OE2 GLU A 282 28.859 0.441 3.732 1.00 80.25 O -ATOM 2245 N PHE A 283 23.078 0.593 2.574 1.00 85.94 N -ATOM 2246 CA PHE A 283 22.078 -0.412 2.891 1.00 85.94 C -ATOM 2247 C PHE A 283 22.000 -1.463 1.790 1.00 85.94 C -ATOM 2248 CB PHE A 283 20.703 0.244 3.092 1.00 85.94 C -ATOM 2249 O PHE A 283 22.328 -1.188 0.636 1.00 85.94 O -ATOM 2250 CG PHE A 283 20.281 1.135 1.954 1.00 85.94 C -ATOM 2251 CD1 PHE A 283 20.547 2.500 1.992 1.00 85.94 C -ATOM 2252 CD2 PHE A 283 19.641 0.606 0.845 1.00 85.94 C -ATOM 2253 CE1 PHE A 283 20.156 3.328 0.940 1.00 85.94 C -ATOM 2254 CE2 PHE A 283 19.250 1.427 -0.209 1.00 85.94 C -ATOM 2255 CZ PHE A 283 19.500 2.787 -0.159 1.00 85.94 C -ATOM 2256 N GLY A 284 21.688 -2.568 2.086 1.00 87.44 N -ATOM 2257 CA GLY A 284 21.609 -3.666 1.136 1.00 87.44 C -ATOM 2258 C GLY A 284 20.234 -3.779 0.484 1.00 87.44 C -ATOM 2259 O GLY A 284 19.281 -3.125 0.911 1.00 87.44 O -ATOM 2260 N PRO A 285 20.109 -4.586 -0.598 1.00 89.38 N -ATOM 2261 CA PRO A 285 18.875 -4.750 -1.370 1.00 89.38 C -ATOM 2262 C PRO A 285 17.719 -5.273 -0.524 1.00 89.38 C -ATOM 2263 CB PRO A 285 19.266 -5.766 -2.447 1.00 89.38 C -ATOM 2264 O PRO A 285 16.562 -4.961 -0.803 1.00 89.38 O -ATOM 2265 CG PRO A 285 20.469 -6.465 -1.895 1.00 89.38 C -ATOM 2266 CD PRO A 285 21.234 -5.500 -1.034 1.00 89.38 C -ATOM 2267 N LEU A 286 17.984 -5.906 0.552 1.00 91.56 N -ATOM 2268 CA LEU A 286 16.906 -6.492 1.356 1.00 91.56 C -ATOM 2269 C LEU A 286 16.312 -5.457 2.307 1.00 91.56 C -ATOM 2270 CB LEU A 286 17.438 -7.691 2.152 1.00 91.56 C -ATOM 2271 O LEU A 286 15.203 -5.633 2.805 1.00 91.56 O -ATOM 2272 CG LEU A 286 17.844 -8.922 1.337 1.00 91.56 C -ATOM 2273 CD1 LEU A 286 18.312 -10.039 2.262 1.00 91.56 C -ATOM 2274 CD2 LEU A 286 16.688 -9.391 0.464 1.00 91.56 C -ATOM 2275 N PHE A 287 17.000 -4.383 2.504 1.00 91.50 N -ATOM 2276 CA PHE A 287 16.594 -3.322 3.420 1.00 91.50 C -ATOM 2277 C PHE A 287 15.273 -2.703 2.986 1.00 91.50 C -ATOM 2278 CB PHE A 287 17.672 -2.242 3.504 1.00 91.50 C -ATOM 2279 O PHE A 287 14.438 -2.355 3.824 1.00 91.50 O -ATOM 2280 CG PHE A 287 17.422 -1.211 4.570 1.00 91.50 C -ATOM 2281 CD1 PHE A 287 17.312 0.135 4.246 1.00 91.50 C -ATOM 2282 CD2 PHE A 287 17.297 -1.589 5.902 1.00 91.50 C -ATOM 2283 CE1 PHE A 287 17.078 1.091 5.230 1.00 91.50 C -ATOM 2284 CE2 PHE A 287 17.062 -0.639 6.895 1.00 91.50 C -ATOM 2285 CZ PHE A 287 16.953 0.700 6.555 1.00 91.50 C -ATOM 2286 N MET A 288 15.023 -2.576 1.647 1.00 88.75 N -ATOM 2287 CA MET A 288 13.758 -2.049 1.141 1.00 88.75 C -ATOM 2288 C MET A 288 12.820 -3.180 0.726 1.00 88.75 C -ATOM 2289 CB MET A 288 14.000 -1.110 -0.042 1.00 88.75 C -ATOM 2290 O MET A 288 11.602 -3.033 0.779 1.00 88.75 O -ATOM 2291 CG MET A 288 12.750 -0.409 -0.537 1.00 88.75 C -ATOM 2292 SD MET A 288 12.094 0.804 0.676 1.00 88.75 S -ATOM 2293 CE MET A 288 10.562 1.302 -0.161 1.00 88.75 C -ATOM 2294 N THR A 289 13.375 -4.352 0.362 1.00 92.69 N -ATOM 2295 CA THR A 289 12.570 -5.457 -0.146 1.00 92.69 C -ATOM 2296 C THR A 289 11.680 -6.027 0.953 1.00 92.69 C -ATOM 2297 CB THR A 289 13.461 -6.578 -0.718 1.00 92.69 C -ATOM 2298 O THR A 289 10.477 -6.227 0.745 1.00 92.69 O -ATOM 2299 CG2 THR A 289 12.617 -7.742 -1.230 1.00 92.69 C -ATOM 2300 OG1 THR A 289 14.242 -6.055 -1.800 1.00 92.69 O -ATOM 2301 N ILE A 290 12.203 -6.160 2.131 1.00 94.00 N -ATOM 2302 CA ILE A 290 11.484 -6.828 3.211 1.00 94.00 C -ATOM 2303 C ILE A 290 10.305 -5.965 3.658 1.00 94.00 C -ATOM 2304 CB ILE A 290 12.414 -7.129 4.406 1.00 94.00 C -ATOM 2305 O ILE A 290 9.172 -6.445 3.742 1.00 94.00 O -ATOM 2306 CG1 ILE A 290 13.406 -8.242 4.047 1.00 94.00 C -ATOM 2307 CG2 ILE A 290 11.602 -7.500 5.648 1.00 94.00 C -ATOM 2308 CD1 ILE A 290 14.445 -8.523 5.129 1.00 94.00 C -ATOM 2309 N PRO A 291 10.539 -4.715 3.926 1.00 95.12 N -ATOM 2310 CA PRO A 291 9.391 -3.896 4.312 1.00 95.12 C -ATOM 2311 C PRO A 291 8.328 -3.814 3.219 1.00 95.12 C -ATOM 2312 CB PRO A 291 10.008 -2.521 4.578 1.00 95.12 C -ATOM 2313 O PRO A 291 7.145 -3.623 3.514 1.00 95.12 O -ATOM 2314 CG PRO A 291 11.414 -2.812 5.000 1.00 95.12 C -ATOM 2315 CD PRO A 291 11.914 -3.988 4.215 1.00 95.12 C -ATOM 2316 N ALA A 292 8.719 -3.920 1.963 1.00 94.50 N -ATOM 2317 CA ALA A 292 7.770 -3.904 0.850 1.00 94.50 C -ATOM 2318 C ALA A 292 6.816 -5.090 0.925 1.00 94.50 C -ATOM 2319 CB ALA A 292 8.516 -3.908 -0.482 1.00 94.50 C -ATOM 2320 O ALA A 292 5.668 -5.004 0.482 1.00 94.50 O -ATOM 2321 N PHE A 293 7.258 -6.191 1.557 1.00 93.56 N -ATOM 2322 CA PHE A 293 6.410 -7.367 1.720 1.00 93.56 C -ATOM 2323 C PHE A 293 5.191 -7.043 2.574 1.00 93.56 C -ATOM 2324 CB PHE A 293 7.203 -8.516 2.350 1.00 93.56 C -ATOM 2325 O PHE A 293 4.082 -7.492 2.277 1.00 93.56 O -ATOM 2326 CG PHE A 293 8.164 -9.180 1.402 1.00 93.56 C -ATOM 2327 CD1 PHE A 293 8.305 -8.727 0.099 1.00 93.56 C -ATOM 2328 CD2 PHE A 293 8.930 -10.266 1.816 1.00 93.56 C -ATOM 2329 CE1 PHE A 293 9.195 -9.336 -0.780 1.00 93.56 C -ATOM 2330 CE2 PHE A 293 9.820 -10.883 0.944 1.00 93.56 C -ATOM 2331 CZ PHE A 293 9.953 -10.422 -0.354 1.00 93.56 C -ATOM 2332 N PHE A 294 5.445 -6.273 3.570 1.00 94.19 N -ATOM 2333 CA PHE A 294 4.363 -5.922 4.484 1.00 94.19 C -ATOM 2334 C PHE A 294 3.320 -5.062 3.785 1.00 94.19 C -ATOM 2335 CB PHE A 294 4.914 -5.188 5.711 1.00 94.19 C -ATOM 2336 O PHE A 294 2.117 -5.285 3.943 1.00 94.19 O -ATOM 2337 CG PHE A 294 5.680 -6.074 6.656 1.00 94.19 C -ATOM 2338 CD1 PHE A 294 5.031 -6.727 7.699 1.00 94.19 C -ATOM 2339 CD2 PHE A 294 7.047 -6.254 6.504 1.00 94.19 C -ATOM 2340 CE1 PHE A 294 5.738 -7.547 8.578 1.00 94.19 C -ATOM 2341 CE2 PHE A 294 7.758 -7.074 7.379 1.00 94.19 C -ATOM 2342 CZ PHE A 294 7.102 -7.719 8.414 1.00 94.19 C -ATOM 2343 N ALA A 295 3.779 -4.164 3.018 1.00 94.12 N -ATOM 2344 CA ALA A 295 2.855 -3.289 2.299 1.00 94.12 C -ATOM 2345 C ALA A 295 2.029 -4.078 1.288 1.00 94.12 C -ATOM 2346 CB ALA A 295 3.621 -2.170 1.597 1.00 94.12 C -ATOM 2347 O ALA A 295 0.810 -3.912 1.208 1.00 94.12 O -ATOM 2348 N LYS A 296 2.645 -4.992 0.657 1.00 94.44 N -ATOM 2349 CA LYS A 296 1.985 -5.766 -0.391 1.00 94.44 C -ATOM 2350 C LYS A 296 1.006 -6.777 0.203 1.00 94.44 C -ATOM 2351 CB LYS A 296 3.020 -6.488 -1.257 1.00 94.44 C -ATOM 2352 O LYS A 296 0.013 -7.133 -0.433 1.00 94.44 O -ATOM 2353 CG LYS A 296 3.893 -5.555 -2.084 1.00 94.44 C -ATOM 2354 CD LYS A 296 4.887 -6.332 -2.939 1.00 94.44 C -ATOM 2355 CE LYS A 296 5.812 -5.398 -3.707 1.00 94.44 C -ATOM 2356 NZ LYS A 296 5.055 -4.492 -4.621 1.00 94.44 N -ATOM 2357 N SER A 297 1.227 -7.188 1.396 1.00 94.00 N -ATOM 2358 CA SER A 297 0.384 -8.188 2.045 1.00 94.00 C -ATOM 2359 C SER A 297 -0.960 -7.594 2.453 1.00 94.00 C -ATOM 2360 CB SER A 297 1.088 -8.766 3.271 1.00 94.00 C -ATOM 2361 O SER A 297 -1.909 -8.328 2.732 1.00 94.00 O -ATOM 2362 OG SER A 297 1.384 -7.750 4.211 1.00 94.00 O -ATOM 2363 N SER A 298 -1.044 -6.328 2.359 1.00 93.31 N -ATOM 2364 CA SER A 298 -2.295 -5.664 2.711 1.00 93.31 C -ATOM 2365 C SER A 298 -3.422 -6.074 1.771 1.00 93.31 C -ATOM 2366 CB SER A 298 -2.119 -4.145 2.682 1.00 93.31 C -ATOM 2367 O SER A 298 -4.598 -5.953 2.115 1.00 93.31 O -ATOM 2368 OG SER A 298 -1.894 -3.691 1.358 1.00 93.31 O -ATOM 2369 N SER A 299 -3.066 -6.527 0.627 1.00 93.94 N -ATOM 2370 CA SER A 299 -4.062 -6.938 -0.357 1.00 93.94 C -ATOM 2371 C SER A 299 -4.836 -8.164 0.118 1.00 93.94 C -ATOM 2372 CB SER A 299 -3.398 -7.234 -1.701 1.00 93.94 C -ATOM 2373 O SER A 299 -5.910 -8.469 -0.406 1.00 93.94 O -ATOM 2374 OG SER A 299 -2.553 -8.367 -1.605 1.00 93.94 O -ATOM 2375 N ILE A 300 -4.312 -8.812 1.142 1.00 93.50 N -ATOM 2376 CA ILE A 300 -4.953 -9.992 1.704 1.00 93.50 C -ATOM 2377 C ILE A 300 -5.527 -9.664 3.080 1.00 93.50 C -ATOM 2378 CB ILE A 300 -3.965 -11.180 1.807 1.00 93.50 C -ATOM 2379 O ILE A 300 -6.680 -9.992 3.371 1.00 93.50 O -ATOM 2380 CG1 ILE A 300 -3.514 -11.617 0.409 1.00 93.50 C -ATOM 2381 CG2 ILE A 300 -4.598 -12.344 2.572 1.00 93.50 C -ATOM 2382 CD1 ILE A 300 -2.428 -12.680 0.418 1.00 93.50 C -ATOM 2383 N TYR A 301 -4.777 -9.031 3.912 1.00 88.81 N -ATOM 2384 CA TYR A 301 -5.125 -8.789 5.309 1.00 88.81 C -ATOM 2385 C TYR A 301 -6.398 -7.961 5.418 1.00 88.81 C -ATOM 2386 CB TYR A 301 -3.975 -8.086 6.031 1.00 88.81 C -ATOM 2387 O TYR A 301 -7.301 -8.297 6.188 1.00 88.81 O -ATOM 2388 CG TYR A 301 -2.793 -8.977 6.312 1.00 88.81 C -ATOM 2389 CD1 TYR A 301 -2.963 -10.227 6.906 1.00 88.81 C -ATOM 2390 CD2 TYR A 301 -1.502 -8.578 5.980 1.00 88.81 C -ATOM 2391 CE1 TYR A 301 -1.875 -11.055 7.172 1.00 88.81 C -ATOM 2392 CE2 TYR A 301 -0.407 -9.398 6.238 1.00 88.81 C -ATOM 2393 OH TYR A 301 0.477 -11.445 7.090 1.00 88.81 O -ATOM 2394 CZ TYR A 301 -0.604 -10.633 6.832 1.00 88.81 C -ATOM 2395 N ASN A 302 -6.453 -6.957 4.547 1.00 88.56 N -ATOM 2396 CA ASN A 302 -7.570 -6.027 4.664 1.00 88.56 C -ATOM 2397 C ASN A 302 -8.906 -6.715 4.383 1.00 88.56 C -ATOM 2398 CB ASN A 302 -7.379 -4.836 3.721 1.00 88.56 C -ATOM 2399 O ASN A 302 -9.836 -6.625 5.188 1.00 88.56 O -ATOM 2400 CG ASN A 302 -6.277 -3.900 4.180 1.00 88.56 C -ATOM 2401 ND2 ASN A 302 -5.809 -3.049 3.275 1.00 88.56 N -ATOM 2402 OD1 ASN A 302 -5.855 -3.941 5.340 1.00 88.56 O -ATOM 2403 N PRO A 303 -8.977 -7.371 3.309 1.00 87.88 N -ATOM 2404 CA PRO A 303 -10.234 -8.062 3.025 1.00 87.88 C -ATOM 2405 C PRO A 303 -10.562 -9.141 4.059 1.00 87.88 C -ATOM 2406 CB PRO A 303 -9.992 -8.688 1.647 1.00 87.88 C -ATOM 2407 O PRO A 303 -11.727 -9.305 4.434 1.00 87.88 O -ATOM 2408 CG PRO A 303 -8.945 -7.828 1.020 1.00 87.88 C -ATOM 2409 CD PRO A 303 -8.055 -7.293 2.105 1.00 87.88 C -ATOM 2410 N VAL A 304 -9.570 -9.836 4.484 1.00 88.19 N -ATOM 2411 CA VAL A 304 -9.781 -10.906 5.457 1.00 88.19 C -ATOM 2412 C VAL A 304 -10.344 -10.320 6.750 1.00 88.19 C -ATOM 2413 CB VAL A 304 -8.469 -11.672 5.742 1.00 88.19 C -ATOM 2414 O VAL A 304 -11.297 -10.859 7.312 1.00 88.19 O -ATOM 2415 CG1 VAL A 304 -8.625 -12.570 6.969 1.00 88.19 C -ATOM 2416 CG2 VAL A 304 -8.055 -12.492 4.523 1.00 88.19 C -ATOM 2417 N ILE A 305 -9.727 -9.305 7.215 1.00 84.75 N -ATOM 2418 CA ILE A 305 -10.195 -8.664 8.438 1.00 84.75 C -ATOM 2419 C ILE A 305 -11.641 -8.203 8.266 1.00 84.75 C -ATOM 2420 CB ILE A 305 -9.289 -7.465 8.820 1.00 84.75 C -ATOM 2421 O ILE A 305 -12.484 -8.445 9.133 1.00 84.75 O -ATOM 2422 CG1 ILE A 305 -7.910 -7.957 9.266 1.00 84.75 C -ATOM 2423 CG2 ILE A 305 -9.953 -6.621 9.914 1.00 84.75 C -ATOM 2424 CD1 ILE A 305 -6.898 -6.840 9.484 1.00 84.75 C -ATOM 2425 N TYR A 306 -11.922 -7.789 7.152 1.00 79.12 N -ATOM 2426 CA TYR A 306 -13.258 -7.242 6.941 1.00 79.12 C -ATOM 2427 C TYR A 306 -14.281 -8.359 6.789 1.00 79.12 C -ATOM 2428 CB TYR A 306 -13.281 -6.336 5.707 1.00 79.12 C -ATOM 2429 O TYR A 306 -15.383 -8.281 7.348 1.00 79.12 O -ATOM 2430 CG TYR A 306 -12.797 -4.934 5.973 1.00 79.12 C -ATOM 2431 CD1 TYR A 306 -13.602 -4.012 6.633 1.00 79.12 C -ATOM 2432 CD2 TYR A 306 -11.531 -4.527 5.566 1.00 79.12 C -ATOM 2433 CE1 TYR A 306 -13.164 -2.715 6.879 1.00 79.12 C -ATOM 2434 CE2 TYR A 306 -11.078 -3.232 5.809 1.00 79.12 C -ATOM 2435 OH TYR A 306 -11.453 -1.055 6.707 1.00 79.12 O -ATOM 2436 CZ TYR A 306 -11.898 -2.336 6.465 1.00 79.12 C -ATOM 2437 N ILE A 307 -13.945 -9.273 6.035 1.00 83.31 N -ATOM 2438 CA ILE A 307 -14.836 -10.406 5.816 1.00 83.31 C -ATOM 2439 C ILE A 307 -15.117 -11.102 7.141 1.00 83.31 C -ATOM 2440 CB ILE A 307 -14.250 -11.406 4.797 1.00 83.31 C -ATOM 2441 O ILE A 307 -16.266 -11.445 7.441 1.00 83.31 O -ATOM 2442 CG1 ILE A 307 -14.234 -10.789 3.391 1.00 83.31 C -ATOM 2443 CG2 ILE A 307 -15.031 -12.719 4.809 1.00 83.31 C -ATOM 2444 CD1 ILE A 307 -13.414 -11.578 2.377 1.00 83.31 C -ATOM 2445 N CYS A 308 -14.125 -11.180 7.934 1.00 81.94 N -ATOM 2446 CA CYS A 308 -14.258 -11.914 9.188 1.00 81.94 C -ATOM 2447 C CYS A 308 -15.023 -11.094 10.219 1.00 81.94 C -ATOM 2448 CB CYS A 308 -12.875 -12.273 9.742 1.00 81.94 C -ATOM 2449 O CYS A 308 -15.719 -11.656 11.070 1.00 81.94 O -ATOM 2450 SG CYS A 308 -12.023 -13.555 8.797 1.00 81.94 S -ATOM 2451 N MET A 309 -15.031 -9.852 10.000 1.00 76.88 N -ATOM 2452 CA MET A 309 -15.641 -8.992 11.016 1.00 76.88 C -ATOM 2453 C MET A 309 -17.078 -8.641 10.641 1.00 76.88 C -ATOM 2454 CB MET A 309 -14.820 -7.715 11.195 1.00 76.88 C -ATOM 2455 O MET A 309 -17.844 -8.195 11.484 1.00 76.88 O -ATOM 2456 CG MET A 309 -13.469 -7.938 11.859 1.00 76.88 C -ATOM 2457 SD MET A 309 -12.531 -6.375 12.094 1.00 76.88 S -ATOM 2458 CE MET A 309 -13.516 -5.613 13.414 1.00 76.88 C -ATOM 2459 N ASN A 310 -17.438 -8.859 9.344 1.00 81.44 N -ATOM 2460 CA ASN A 310 -18.781 -8.578 8.852 1.00 81.44 C -ATOM 2461 C ASN A 310 -19.609 -9.852 8.695 1.00 81.44 C -ATOM 2462 CB ASN A 310 -18.719 -7.816 7.527 1.00 81.44 C -ATOM 2463 O ASN A 310 -19.484 -10.555 7.691 1.00 81.44 O -ATOM 2464 CG ASN A 310 -20.062 -7.223 7.129 1.00 81.44 C -ATOM 2465 ND2 ASN A 310 -20.031 -6.062 6.484 1.00 81.44 N -ATOM 2466 OD1 ASN A 310 -21.109 -7.801 7.398 1.00 81.44 O -ATOM 2467 N LYS A 311 -20.328 -10.117 9.734 1.00 83.06 N -ATOM 2468 CA LYS A 311 -21.094 -11.359 9.773 1.00 83.06 C -ATOM 2469 C LYS A 311 -22.016 -11.469 8.562 1.00 83.06 C -ATOM 2470 CB LYS A 311 -21.906 -11.461 11.070 1.00 83.06 C -ATOM 2471 O LYS A 311 -22.156 -12.547 7.980 1.00 83.06 O -ATOM 2472 CG LYS A 311 -21.062 -11.781 12.297 1.00 83.06 C -ATOM 2473 CD LYS A 311 -21.938 -11.930 13.539 1.00 83.06 C -ATOM 2474 CE LYS A 311 -21.094 -12.156 14.789 1.00 83.06 C -ATOM 2475 NZ LYS A 311 -21.938 -12.344 16.000 1.00 83.06 N -ATOM 2476 N GLN A 312 -22.656 -10.352 8.266 1.00 86.62 N -ATOM 2477 CA GLN A 312 -23.562 -10.312 7.129 1.00 86.62 C -ATOM 2478 C GLN A 312 -22.844 -10.695 5.840 1.00 86.62 C -ATOM 2479 CB GLN A 312 -24.203 -8.930 6.992 1.00 86.62 C -ATOM 2480 O GLN A 312 -23.359 -11.492 5.051 1.00 86.62 O -ATOM 2481 CG GLN A 312 -25.234 -8.828 5.875 1.00 86.62 C -ATOM 2482 CD GLN A 312 -25.875 -7.461 5.793 1.00 86.62 C -ATOM 2483 NE2 GLN A 312 -26.922 -7.348 4.992 1.00 86.62 N -ATOM 2484 OE1 GLN A 312 -25.422 -6.508 6.445 1.00 86.62 O -ATOM 2485 N PHE A 313 -21.688 -10.086 5.715 1.00 87.81 N -ATOM 2486 CA PHE A 313 -20.906 -10.375 4.516 1.00 87.81 C -ATOM 2487 C PHE A 313 -20.469 -11.836 4.492 1.00 87.81 C -ATOM 2488 CB PHE A 313 -19.688 -9.461 4.434 1.00 87.81 C -ATOM 2489 O PHE A 313 -20.578 -12.508 3.465 1.00 87.81 O -ATOM 2490 CG PHE A 313 -18.969 -9.500 3.105 1.00 87.81 C -ATOM 2491 CD1 PHE A 313 -18.016 -10.469 2.844 1.00 87.81 C -ATOM 2492 CD2 PHE A 313 -19.281 -8.570 2.117 1.00 87.81 C -ATOM 2493 CE1 PHE A 313 -17.359 -10.516 1.615 1.00 87.81 C -ATOM 2494 CE2 PHE A 313 -18.625 -8.609 0.887 1.00 87.81 C -ATOM 2495 CZ PHE A 313 -17.672 -9.578 0.638 1.00 87.81 C -ATOM 2496 N ARG A 314 -20.016 -12.328 5.586 1.00 88.44 N -ATOM 2497 CA ARG A 314 -19.547 -13.703 5.703 1.00 88.44 C -ATOM 2498 C ARG A 314 -20.641 -14.695 5.344 1.00 88.44 C -ATOM 2499 CB ARG A 314 -19.031 -13.977 7.117 1.00 88.44 C -ATOM 2500 O ARG A 314 -20.422 -15.641 4.590 1.00 88.44 O -ATOM 2501 CG ARG A 314 -18.422 -15.359 7.293 1.00 88.44 C -ATOM 2502 CD ARG A 314 -17.797 -15.523 8.672 1.00 88.44 C -ATOM 2503 NE ARG A 314 -18.797 -15.438 9.734 1.00 88.44 N -ATOM 2504 NH1 ARG A 314 -17.484 -14.172 11.148 1.00 88.44 N -ATOM 2505 NH2 ARG A 314 -19.609 -14.773 11.773 1.00 88.44 N -ATOM 2506 CZ ARG A 314 -18.625 -14.789 10.883 1.00 88.44 C -ATOM 2507 N ASN A 315 -21.734 -14.461 5.816 1.00 88.81 N -ATOM 2508 CA ASN A 315 -22.875 -15.336 5.551 1.00 88.81 C -ATOM 2509 C ASN A 315 -23.219 -15.352 4.066 1.00 88.81 C -ATOM 2510 CB ASN A 315 -24.078 -14.914 6.383 1.00 88.81 C -ATOM 2511 O ASN A 315 -23.500 -16.406 3.496 1.00 88.81 O -ATOM 2512 CG ASN A 315 -23.922 -15.250 7.855 1.00 88.81 C -ATOM 2513 ND2 ASN A 315 -24.656 -14.547 8.703 1.00 88.81 N -ATOM 2514 OD1 ASN A 315 -23.141 -16.141 8.219 1.00 88.81 O -ATOM 2515 N CYS A 316 -23.203 -14.234 3.492 1.00 89.25 N -ATOM 2516 CA CYS A 316 -23.500 -14.141 2.068 1.00 89.25 C -ATOM 2517 C CYS A 316 -22.422 -14.828 1.238 1.00 89.25 C -ATOM 2518 CB CYS A 316 -23.641 -12.680 1.644 1.00 89.25 C -ATOM 2519 O CYS A 316 -22.719 -15.477 0.234 1.00 89.25 O -ATOM 2520 SG CYS A 316 -25.125 -11.875 2.273 1.00 89.25 S -ATOM 2521 N MET A 317 -21.219 -14.602 1.693 1.00 89.25 N -ATOM 2522 CA MET A 317 -20.109 -15.242 0.987 1.00 89.25 C -ATOM 2523 C MET A 317 -20.219 -16.766 1.066 1.00 89.25 C -ATOM 2524 CB MET A 317 -18.766 -14.781 1.560 1.00 89.25 C -ATOM 2525 O MET A 317 -20.047 -17.453 0.063 1.00 89.25 O -ATOM 2526 CG MET A 317 -17.562 -15.320 0.808 1.00 89.25 C -ATOM 2527 SD MET A 317 -15.984 -14.633 1.430 1.00 89.25 S -ATOM 2528 CE MET A 317 -16.000 -13.008 0.622 1.00 89.25 C -ATOM 2529 N ILE A 318 -20.516 -17.328 2.180 1.00 88.75 N -ATOM 2530 CA ILE A 318 -20.672 -18.766 2.387 1.00 88.75 C -ATOM 2531 C ILE A 318 -21.828 -19.297 1.544 1.00 88.75 C -ATOM 2532 CB ILE A 318 -20.891 -19.094 3.879 1.00 88.75 C -ATOM 2533 O ILE A 318 -21.719 -20.344 0.903 1.00 88.75 O -ATOM 2534 CG1 ILE A 318 -19.641 -18.797 4.691 1.00 88.75 C -ATOM 2535 CG2 ILE A 318 -21.312 -20.562 4.047 1.00 88.75 C -ATOM 2536 CD1 ILE A 318 -19.828 -18.891 6.199 1.00 88.75 C -ATOM 2537 N THR A 319 -22.859 -18.578 1.561 1.00 88.44 N -ATOM 2538 CA THR A 319 -24.031 -18.953 0.763 1.00 88.44 C -ATOM 2539 C THR A 319 -23.672 -19.016 -0.719 1.00 88.44 C -ATOM 2540 CB THR A 319 -25.188 -17.953 0.969 1.00 88.44 C -ATOM 2541 O THR A 319 -24.125 -19.922 -1.431 1.00 88.44 O -ATOM 2542 CG2 THR A 319 -26.406 -18.359 0.156 1.00 88.44 C -ATOM 2543 OG1 THR A 319 -25.531 -17.922 2.357 1.00 88.44 O -ATOM 2544 N THR A 320 -22.922 -18.094 -1.121 1.00 88.38 N -ATOM 2545 CA THR A 320 -22.484 -18.047 -2.514 1.00 88.38 C -ATOM 2546 C THR A 320 -21.562 -19.234 -2.828 1.00 88.38 C -ATOM 2547 CB THR A 320 -21.750 -16.734 -2.832 1.00 88.38 C -ATOM 2548 O THR A 320 -21.703 -19.875 -3.875 1.00 88.38 O -ATOM 2549 CG2 THR A 320 -21.281 -16.703 -4.281 1.00 88.38 C -ATOM 2550 OG1 THR A 320 -22.641 -15.633 -2.611 1.00 88.38 O -ATOM 2551 N LEU A 321 -20.688 -19.562 -1.945 1.00 88.50 N -ATOM 2552 CA LEU A 321 -19.719 -20.625 -2.158 1.00 88.50 C -ATOM 2553 C LEU A 321 -20.391 -22.000 -2.123 1.00 88.50 C -ATOM 2554 CB LEU A 321 -18.609 -20.562 -1.100 1.00 88.50 C -ATOM 2555 O LEU A 321 -19.938 -22.938 -2.779 1.00 88.50 O -ATOM 2556 CG LEU A 321 -17.609 -19.422 -1.237 1.00 88.50 C -ATOM 2557 CD1 LEU A 321 -16.672 -19.391 -0.037 1.00 88.50 C -ATOM 2558 CD2 LEU A 321 -16.828 -19.547 -2.537 1.00 88.50 C -ATOM 2559 N PHE A 322 -21.516 -22.078 -1.393 1.00 88.38 N -ATOM 2560 CA PHE A 322 -22.219 -23.359 -1.269 1.00 88.38 C -ATOM 2561 C PHE A 322 -23.516 -23.344 -2.068 1.00 88.38 C -ATOM 2562 CB PHE A 322 -22.500 -23.672 0.202 1.00 88.38 C -ATOM 2563 O PHE A 322 -24.484 -24.016 -1.692 1.00 88.38 O -ATOM 2564 CG PHE A 322 -21.297 -24.094 0.982 1.00 88.38 C -ATOM 2565 CD1 PHE A 322 -20.812 -25.391 0.895 1.00 88.38 C -ATOM 2566 CD2 PHE A 322 -20.625 -23.188 1.804 1.00 88.38 C -ATOM 2567 CE1 PHE A 322 -19.688 -25.797 1.616 1.00 88.38 C -ATOM 2568 CE2 PHE A 322 -19.500 -23.578 2.527 1.00 88.38 C -ATOM 2569 CZ PHE A 322 -19.031 -24.891 2.434 1.00 88.38 C -ATOM 2570 N CYS A 323 -23.531 -22.656 -3.086 1.00 84.12 N -ATOM 2571 CA CYS A 323 -24.578 -22.641 -4.094 1.00 84.12 C -ATOM 2572 C CYS A 323 -25.922 -22.281 -3.473 1.00 84.12 C -ATOM 2573 CB CYS A 323 -24.672 -24.000 -4.793 1.00 84.12 C -ATOM 2574 O CYS A 323 -26.938 -22.922 -3.779 1.00 84.12 O -ATOM 2575 SG CYS A 323 -23.188 -24.438 -5.711 1.00 84.12 S -ATOM 2576 N GLY A 324 -25.938 -21.375 -2.574 1.00 78.81 N -ATOM 2577 CA GLY A 324 -27.156 -20.797 -2.043 1.00 78.81 C -ATOM 2578 C GLY A 324 -27.547 -21.375 -0.690 1.00 78.81 C -ATOM 2579 O GLY A 324 -28.562 -20.969 -0.115 1.00 78.81 O -ATOM 2580 N LYS A 325 -26.797 -22.375 -0.230 1.00 77.56 N -ATOM 2581 CA LYS A 325 -27.062 -22.938 1.092 1.00 77.56 C -ATOM 2582 C LYS A 325 -25.984 -22.531 2.088 1.00 77.56 C -ATOM 2583 CB LYS A 325 -27.172 -24.453 1.016 1.00 77.56 C -ATOM 2584 O LYS A 325 -24.797 -22.516 1.750 1.00 77.56 O -ATOM 2585 CG LYS A 325 -28.359 -24.969 0.218 1.00 77.56 C -ATOM 2586 CD LYS A 325 -28.469 -26.484 0.271 1.00 77.56 C -ATOM 2587 CE LYS A 325 -29.672 -26.984 -0.529 1.00 77.56 C -ATOM 2588 NZ LYS A 325 -29.703 -28.469 -0.592 1.00 77.56 N -ATOM 2589 N ASN A 326 -26.453 -21.984 3.242 1.00 75.56 N -ATOM 2590 CA ASN A 326 -25.500 -21.766 4.328 1.00 75.56 C -ATOM 2591 C ASN A 326 -25.469 -22.953 5.281 1.00 75.56 C -ATOM 2592 CB ASN A 326 -25.828 -20.484 5.090 1.00 75.56 C -ATOM 2593 O ASN A 326 -26.391 -23.156 6.070 1.00 75.56 O -ATOM 2594 CG ASN A 326 -24.703 -20.031 5.988 1.00 75.56 C -ATOM 2595 ND2 ASN A 326 -24.750 -18.766 6.410 1.00 75.56 N -ATOM 2596 OD1 ASN A 326 -23.797 -20.797 6.301 1.00 75.56 O -ATOM 2597 N PRO A 327 -24.531 -23.812 5.164 1.00 75.12 N -ATOM 2598 CA PRO A 327 -24.484 -24.984 6.031 1.00 75.12 C -ATOM 2599 C PRO A 327 -24.375 -24.625 7.512 1.00 75.12 C -ATOM 2600 CB PRO A 327 -23.234 -25.734 5.551 1.00 75.12 C -ATOM 2601 O PRO A 327 -24.641 -25.469 8.375 1.00 75.12 O -ATOM 2602 CG PRO A 327 -22.469 -24.719 4.781 1.00 75.12 C -ATOM 2603 CD PRO A 327 -23.406 -23.625 4.344 1.00 75.12 C -ATOM 2604 N PHE A 328 -24.141 -23.344 7.750 1.00 73.69 N -ATOM 2605 CA PHE A 328 -23.859 -22.969 9.133 1.00 73.69 C -ATOM 2606 C PHE A 328 -25.016 -22.172 9.734 1.00 73.69 C -ATOM 2607 CB PHE A 328 -22.562 -22.156 9.211 1.00 73.69 C -ATOM 2608 O PHE A 328 -24.922 -21.688 10.859 1.00 73.69 O -ATOM 2609 CG PHE A 328 -21.359 -22.875 8.688 1.00 73.69 C -ATOM 2610 CD1 PHE A 328 -20.797 -23.938 9.398 1.00 73.69 C -ATOM 2611 CD2 PHE A 328 -20.781 -22.516 7.480 1.00 73.69 C -ATOM 2612 CE1 PHE A 328 -19.688 -24.609 8.914 1.00 73.69 C -ATOM 2613 CE2 PHE A 328 -19.656 -23.188 6.988 1.00 73.69 C -ATOM 2614 CZ PHE A 328 -19.109 -24.234 7.707 1.00 73.69 C -ATOM 2615 N GLU A 329 -26.109 -21.859 8.961 1.00 64.88 N -ATOM 2616 CA GLU A 329 -27.219 -21.000 9.391 1.00 64.88 C -ATOM 2617 C GLU A 329 -28.016 -21.656 10.516 1.00 64.88 C -ATOM 2618 CB GLU A 329 -28.141 -20.688 8.211 1.00 64.88 C -ATOM 2619 O GLU A 329 -28.500 -20.984 11.422 1.00 64.88 O -ATOM 2620 CG GLU A 329 -27.875 -19.344 7.562 1.00 64.88 C -ATOM 2621 CD GLU A 329 -28.922 -18.953 6.531 1.00 64.88 C -ATOM 2622 OE1 GLU A 329 -28.875 -17.812 6.020 1.00 64.88 O -ATOM 2623 OE2 GLU A 329 -29.797 -19.797 6.230 1.00 64.88 O -ATOM 2624 N GLY A 330 -27.641 -22.906 11.062 1.00 55.88 N -ATOM 2625 CA GLY A 330 -28.391 -23.547 12.141 1.00 55.88 C -ATOM 2626 C GLY A 330 -27.531 -23.797 13.375 1.00 55.88 C -ATOM 2627 O GLY A 330 -28.062 -24.188 14.414 1.00 55.88 O -ATOM 2628 N GLU A 331 -26.281 -23.453 13.453 1.00 52.62 N -ATOM 2629 CA GLU A 331 -25.500 -23.734 14.648 1.00 52.62 C -ATOM 2630 C GLU A 331 -25.344 -22.484 15.523 1.00 52.62 C -ATOM 2631 CB GLU A 331 -24.125 -24.281 14.273 1.00 52.62 C -ATOM 2632 O GLU A 331 -25.234 -22.594 16.750 1.00 52.62 O -ATOM 2633 CG GLU A 331 -24.125 -25.766 13.953 1.00 52.62 C -ATOM 2634 CD GLU A 331 -22.734 -26.312 13.625 1.00 52.62 C -ATOM 2635 OE1 GLU A 331 -22.609 -27.531 13.391 1.00 52.62 O -ATOM 2636 OE2 GLU A 331 -21.781 -25.500 13.609 1.00 52.62 O -ATOM 2637 N GLU A 332 -25.938 -21.359 15.188 1.00 49.19 N -ATOM 2638 CA GLU A 332 -25.688 -20.312 16.172 1.00 49.19 C -ATOM 2639 C GLU A 332 -26.984 -19.797 16.781 1.00 49.19 C -ATOM 2640 CB GLU A 332 -24.906 -19.156 15.539 1.00 49.19 C -ATOM 2641 O GLU A 332 -26.984 -19.203 17.859 1.00 49.19 O -ATOM 2642 CG GLU A 332 -23.406 -19.375 15.492 1.00 49.19 C -ATOM 2643 CD GLU A 332 -22.641 -18.219 14.875 1.00 49.19 C -ATOM 2644 OE1 GLU A 332 -21.391 -18.281 14.781 1.00 49.19 O -ATOM 2645 OE2 GLU A 332 -23.297 -17.219 14.484 1.00 49.19 O -ATOM 2646 N GLU A 333 -28.094 -20.391 16.344 1.00 43.50 N -ATOM 2647 CA GLU A 333 -29.297 -20.078 17.109 1.00 43.50 C -ATOM 2648 C GLU A 333 -29.688 -21.234 18.016 1.00 43.50 C -ATOM 2649 CB GLU A 333 -30.453 -19.703 16.188 1.00 43.50 C -ATOM 2650 O GLU A 333 -30.578 -21.109 18.859 1.00 43.50 O -ATOM 2651 CG GLU A 333 -30.406 -18.266 15.688 1.00 43.50 C -ATOM 2652 CD GLU A 333 -31.641 -17.875 14.883 1.00 43.50 C -ATOM 2653 OE1 GLU A 333 -31.781 -16.688 14.539 1.00 43.50 O -ATOM 2654 OE2 GLU A 333 -32.469 -18.766 14.594 1.00 43.50 O -ATOM 2655 N GLY A 334 -28.812 -22.281 18.078 1.00 33.53 N -ATOM 2656 CA GLY A 334 -29.234 -23.328 18.984 1.00 33.53 C -ATOM 2657 C GLY A 334 -28.500 -23.312 20.312 1.00 33.53 C -ATOM 2658 O GLY A 334 -28.766 -24.141 21.188 1.00 33.53 O -ATOM 2659 N ALA A 335 -27.859 -22.156 20.625 1.00 35.88 N -ATOM 2660 CA ALA A 335 -27.469 -22.125 22.031 1.00 35.88 C -ATOM 2661 C ALA A 335 -28.391 -21.203 22.828 1.00 35.88 C -ATOM 2662 CB ALA A 335 -26.016 -21.672 22.172 1.00 35.88 C -ATOM 2663 O ALA A 335 -28.344 -21.188 24.062 1.00 35.88 O -ATOM 2664 N SER A 336 -29.641 -21.078 22.406 1.00 31.83 N -ATOM 2665 CA SER A 336 -30.547 -20.484 23.391 1.00 31.83 C -ATOM 2666 C SER A 336 -31.984 -20.922 23.172 1.00 31.83 C -ATOM 2667 CB SER A 336 -30.453 -18.953 23.359 1.00 31.83 C -ATOM 2668 O SER A 336 -32.875 -20.609 23.969 1.00 31.83 O -ATOM 2669 OG SER A 336 -31.297 -18.375 24.328 1.00 31.83 O -ATOM 2670 N SER A 337 -32.219 -22.188 22.891 1.00 26.89 N -ATOM 2671 CA SER A 337 -33.625 -22.453 23.109 1.00 26.89 C -ATOM 2672 C SER A 337 -33.844 -23.750 23.875 1.00 26.89 C -ATOM 2673 CB SER A 337 -34.375 -22.500 21.781 1.00 26.89 C -ATOM 2674 O SER A 337 -33.500 -24.828 23.391 1.00 26.89 O -ATOM 2675 OG SER A 337 -33.906 -23.578 20.984 1.00 26.89 O -ATOM 2676 N THR A 338 -33.250 -23.922 25.000 1.00 27.47 N -ATOM 2677 CA THR A 338 -33.938 -24.828 25.922 1.00 27.47 C -ATOM 2678 C THR A 338 -35.406 -24.453 26.078 1.00 27.47 C -ATOM 2679 CB THR A 338 -33.250 -24.828 27.312 1.00 27.47 C -ATOM 2680 O THR A 338 -35.719 -23.297 26.391 1.00 27.47 O -ATOM 2681 CG2 THR A 338 -33.125 -26.250 27.844 1.00 27.47 C -ATOM 2682 OG1 THR A 338 -31.969 -24.234 27.203 1.00 27.47 O -ATOM 2683 N LYS A 339 -36.219 -24.562 25.047 1.00 25.48 N -ATOM 2684 CA LYS A 339 -37.656 -24.812 25.016 1.00 25.48 C -ATOM 2685 C LYS A 339 -38.062 -25.703 26.172 1.00 25.48 C -ATOM 2686 CB LYS A 339 -38.062 -25.453 23.688 1.00 25.48 C -ATOM 2687 O LYS A 339 -37.625 -26.844 26.281 1.00 25.48 O -ATOM 2688 CG LYS A 339 -38.188 -24.453 22.531 1.00 25.48 C -ATOM 2689 CD LYS A 339 -38.781 -25.125 21.297 1.00 25.48 C -ATOM 2690 CE LYS A 339 -38.906 -24.125 20.141 1.00 25.48 C -ATOM 2691 NZ LYS A 339 -39.469 -24.781 18.922 1.00 25.48 N -ATOM 2692 N THR A 340 -37.875 -25.266 27.375 1.00 25.81 N -ATOM 2693 CA THR A 340 -38.688 -25.891 28.438 1.00 25.81 C -ATOM 2694 C THR A 340 -40.188 -25.672 28.203 1.00 25.81 C -ATOM 2695 CB THR A 340 -38.281 -25.328 29.812 1.00 25.81 C -ATOM 2696 O THR A 340 -40.594 -24.531 27.953 1.00 25.81 O -ATOM 2697 CG2 THR A 340 -38.344 -26.422 30.891 1.00 25.81 C -ATOM 2698 OG1 THR A 340 -36.969 -24.797 29.766 1.00 25.81 O -ATOM 2699 N GLU A 341 -40.781 -26.422 27.312 1.00 25.28 N -ATOM 2700 CA GLU A 341 -42.031 -27.172 27.328 1.00 25.28 C -ATOM 2701 C GLU A 341 -42.469 -27.500 28.750 1.00 25.28 C -ATOM 2702 CB GLU A 341 -41.875 -28.469 26.500 1.00 25.28 C -ATOM 2703 O GLU A 341 -41.688 -28.031 29.531 1.00 25.28 O -ATOM 2704 CG GLU A 341 -41.938 -28.250 25.000 1.00 25.28 C -ATOM 2705 CD GLU A 341 -41.906 -29.547 24.203 1.00 25.28 C -ATOM 2706 OE1 GLU A 341 -42.031 -29.500 22.969 1.00 25.28 O -ATOM 2707 OE2 GLU A 341 -41.750 -30.625 24.844 1.00 25.28 O -ATOM 2708 N ALA A 342 -43.156 -26.609 29.422 1.00 23.42 N -ATOM 2709 CA ALA A 342 -44.219 -27.172 30.266 1.00 23.42 C -ATOM 2710 C ALA A 342 -44.781 -26.109 31.188 1.00 23.42 C -ATOM 2711 CB ALA A 342 -43.688 -28.359 31.062 1.00 23.42 C -ATOM 2712 O ALA A 342 -44.062 -25.375 31.828 1.00 23.42 O -ATOM 2713 N SER A 343 -46.000 -25.562 30.859 1.00 24.64 N -ATOM 2714 CA SER A 343 -47.219 -25.812 31.672 1.00 24.64 C -ATOM 2715 C SER A 343 -48.188 -24.641 31.562 1.00 24.64 C -ATOM 2716 CB SER A 343 -46.812 -26.031 33.125 1.00 24.64 C -ATOM 2717 O SER A 343 -47.781 -23.484 31.672 1.00 24.64 O -ATOM 2718 OG SER A 343 -47.281 -27.297 33.594 1.00 24.64 O -ATOM 2719 N SER A 344 -49.125 -24.672 30.609 1.00 24.12 N -ATOM 2720 CA SER A 344 -50.562 -24.719 30.766 1.00 24.12 C -ATOM 2721 C SER A 344 -50.969 -24.250 32.156 1.00 24.12 C -ATOM 2722 CB SER A 344 -51.094 -26.125 30.500 1.00 24.12 C -ATOM 2723 O SER A 344 -50.375 -24.656 33.156 1.00 24.12 O -ATOM 2724 OG SER A 344 -50.250 -27.094 31.094 1.00 24.12 O -ATOM 2725 N ALA A 345 -51.438 -23.000 32.344 1.00 25.00 N -ATOM 2726 CA ALA A 345 -52.688 -22.812 33.062 1.00 25.00 C -ATOM 2727 C ALA A 345 -52.719 -21.438 33.750 1.00 25.00 C -ATOM 2728 CB ALA A 345 -52.875 -23.922 34.094 1.00 25.00 C -ATOM 2729 O ALA A 345 -51.750 -21.031 34.375 1.00 25.00 O -ATOM 2730 N SER A 346 -53.500 -20.484 33.188 1.00 26.91 N -ATOM 2731 CA SER A 346 -54.688 -19.953 33.844 1.00 26.91 C -ATOM 2732 C SER A 346 -54.906 -18.484 33.500 1.00 26.91 C -ATOM 2733 CB SER A 346 -54.562 -20.094 35.375 1.00 26.91 C -ATOM 2734 O SER A 346 -53.969 -17.688 33.500 1.00 26.91 O -ATOM 2735 OG SER A 346 -53.219 -19.969 35.781 1.00 26.91 O -ATOM 2736 N SER A 347 -55.688 -18.219 32.469 1.00 25.06 N -ATOM 2737 CA SER A 347 -56.844 -17.359 32.312 1.00 25.06 C -ATOM 2738 C SER A 347 -57.125 -16.578 33.594 1.00 25.06 C -ATOM 2739 CB SER A 347 -58.062 -18.203 31.938 1.00 25.06 C -ATOM 2740 O SER A 347 -57.250 -17.156 34.656 1.00 25.06 O -ATOM 2741 OG SER A 347 -58.344 -19.156 32.938 1.00 25.06 O -ATOM 2742 N VAL A 348 -56.594 -15.375 33.719 1.00 30.61 N -ATOM 2743 CA VAL A 348 -57.281 -14.461 34.625 1.00 30.61 C -ATOM 2744 C VAL A 348 -57.719 -13.203 33.875 1.00 30.61 C -ATOM 2745 CB VAL A 348 -56.406 -14.086 35.844 1.00 30.61 C -ATOM 2746 O VAL A 348 -56.875 -12.562 33.219 1.00 30.61 O -ATOM 2747 CG1 VAL A 348 -57.188 -13.148 36.781 1.00 30.61 C -ATOM 2748 CG2 VAL A 348 -55.969 -15.344 36.562 1.00 30.61 C -ATOM 2749 N SER A 349 -58.844 -13.234 33.156 1.00 25.70 N -ATOM 2750 CA SER A 349 -59.875 -12.188 33.062 1.00 25.70 C -ATOM 2751 C SER A 349 -60.312 -11.695 34.438 1.00 25.70 C -ATOM 2752 CB SER A 349 -61.094 -12.703 32.281 1.00 25.70 C -ATOM 2753 O SER A 349 -60.469 -12.492 35.344 1.00 25.70 O -ATOM 2754 OG SER A 349 -60.688 -13.328 31.062 1.00 25.70 O -ATOM 2755 N PRO A 350 -60.688 -10.516 34.531 1.00 34.00 N -ATOM 2756 CA PRO A 350 -61.500 -9.352 34.219 1.00 34.00 C -ATOM 2757 C PRO A 350 -61.219 -8.156 35.125 1.00 34.00 C -ATOM 2758 CB PRO A 350 -62.938 -9.859 34.406 1.00 34.00 C -ATOM 2759 O PRO A 350 -60.531 -8.305 36.125 1.00 34.00 O -ATOM 2760 CG PRO A 350 -62.844 -10.820 35.562 1.00 34.00 C -ATOM 2761 CD PRO A 350 -61.375 -11.000 35.906 1.00 34.00 C -ATOM 2762 N ALA A 351 -61.438 -6.859 34.656 1.00 35.69 N -ATOM 2763 CA ALA A 351 -62.312 -5.684 34.781 1.00 35.69 C -ATOM 2764 C ALA A 351 -61.719 -4.500 34.000 1.00 35.69 C -ATOM 2765 CB ALA A 351 -62.500 -5.312 36.250 1.00 35.69 C -ATOM 2766 O ALA A 351 -60.500 -4.305 33.969 1.00 35.69 O -TER 2767 ALA A 1 -ENDMDL -END diff --git a/examples/1U19.pdb b/examples/custom_annotation_ex/1U19.pdb similarity index 100% rename from examples/1U19.pdb rename to examples/custom_annotation_ex/1U19.pdb diff --git a/examples/optics_custom_annotations_ex.csv b/examples/custom_annotation_ex/optics_custom_annotations_ex.csv similarity index 100% rename from examples/optics_custom_annotations_ex.csv rename to examples/custom_annotation_ex/optics_custom_annotations_ex.csv diff --git a/examples/visualize_optics_custom_annotations_ex.pml b/examples/custom_annotation_ex/visualize_optics_custom_annotations_ex.pml similarity index 100% rename from examples/visualize_optics_custom_annotations_ex.pml rename to examples/custom_annotation_ex/visualize_optics_custom_annotations_ex.pml diff --git a/examples/visualize_optics_custom_annotations_ex_chimerax.cxc b/examples/custom_annotation_ex/visualize_optics_custom_annotations_ex_chimerax.cxc similarity index 100% rename from examples/visualize_optics_custom_annotations_ex_chimerax.cxc rename to examples/custom_annotation_ex/visualize_optics_custom_annotations_ex_chimerax.cxc diff --git a/examples/ex_structures/C_phantasticus_LWS1_esmfold.pdb b/examples/ex_structures/C_phantasticus_LWS1_esmfold.pdb new file mode 100644 index 00000000..765cda33 --- /dev/null +++ b/examples/ex_structures/C_phantasticus_LWS1_esmfold.pdb @@ -0,0 +1,2862 @@ +PARENT N/A +ATOM 1 N MET A 1 -54.616 10.735 -26.431 1.00 71.72 N +ATOM 2 CA MET A 1 -53.813 9.544 -26.689 1.00 74.50 C +ATOM 3 C MET A 1 -52.324 9.866 -26.624 1.00 72.92 C +ATOM 4 CB MET A 1 -54.160 8.946 -28.054 1.00 65.22 C +ATOM 5 O MET A 1 -51.731 10.284 -27.620 1.00 66.64 O +ATOM 6 CG MET A 1 -55.543 8.319 -28.115 1.00 61.63 C +ATOM 7 SD MET A 1 -55.869 7.491 -29.720 1.00 62.76 S +ATOM 8 CE MET A 1 -57.119 8.611 -30.410 1.00 65.58 C +ATOM 9 N ALA A 2 -51.784 10.308 -25.501 1.00 74.49 N +ATOM 10 CA ALA A 2 -50.354 10.321 -25.202 1.00 73.80 C +ATOM 11 C ALA A 2 -49.838 8.911 -24.925 1.00 71.01 C +ATOM 12 CB ALA A 2 -50.067 11.233 -24.011 1.00 68.73 C +ATOM 13 O ALA A 2 -49.922 8.424 -23.795 1.00 65.03 O +ATOM 14 N GLU A 3 -49.811 8.002 -25.944 1.00 73.50 N +ATOM 15 CA GLU A 3 -48.977 6.806 -25.882 1.00 74.54 C +ATOM 16 C GLU A 3 -47.696 7.066 -25.094 1.00 72.59 C +ATOM 17 CB GLU A 3 -48.637 6.314 -27.291 1.00 67.14 C +ATOM 18 O GLU A 3 -46.970 8.021 -25.378 1.00 67.12 O +ATOM 19 CG GLU A 3 -49.663 5.351 -27.871 1.00 63.94 C +ATOM 20 CD GLU A 3 -49.370 4.956 -29.309 1.00 63.10 C +ATOM 21 OE1 GLU A 3 -48.648 5.703 -30.009 1.00 67.47 O +ATOM 22 OE2 GLU A 3 -49.867 3.892 -29.741 1.00 64.99 O +ATOM 23 N ASP A 4 -47.468 6.476 -23.933 1.00 82.18 N +ATOM 24 CA ASP A 4 -46.304 6.435 -23.054 1.00 83.71 C +ATOM 25 C ASP A 4 -45.018 6.239 -23.854 1.00 82.94 C +ATOM 26 CB ASP A 4 -46.453 5.320 -22.017 1.00 76.36 C +ATOM 27 O ASP A 4 -44.572 5.108 -24.055 1.00 77.90 O +ATOM 28 CG ASP A 4 -45.561 5.515 -20.804 1.00 69.36 C +ATOM 29 OD1 ASP A 4 -44.850 6.541 -20.728 1.00 64.30 O +ATOM 30 OD2 ASP A 4 -45.567 4.635 -19.916 1.00 72.13 O +ATOM 31 N TRP A 5 -44.668 7.220 -24.651 1.00 78.33 N +ATOM 32 CA TRP A 5 -43.421 7.260 -25.409 1.00 84.42 C +ATOM 33 C TRP A 5 -42.269 6.687 -24.591 1.00 76.80 C +ATOM 34 CB TRP A 5 -43.097 8.694 -25.837 1.00 75.55 C +ATOM 35 O TRP A 5 -41.333 6.106 -25.147 1.00 73.11 O +ATOM 36 CG TRP A 5 -43.785 9.124 -27.097 1.00 64.58 C +ATOM 37 CD1 TRP A 5 -44.993 9.757 -27.203 1.00 59.76 C +ATOM 38 CD2 TRP A 5 -43.307 8.947 -28.434 1.00 62.93 C +ATOM 39 CE2 TRP A 5 -44.276 9.498 -29.301 1.00 58.89 C +ATOM 40 CE3 TRP A 5 -42.151 8.377 -28.984 1.00 68.15 C +ATOM 41 NE1 TRP A 5 -45.294 9.985 -28.526 1.00 72.11 N +ATOM 42 CH2 TRP A 5 -42.984 8.931 -31.201 1.00 69.76 C +ATOM 43 CZ2 TRP A 5 -44.124 9.495 -30.690 1.00 71.42 C +ATOM 44 CZ3 TRP A 5 -42.001 8.375 -30.366 1.00 70.30 C +ATOM 45 N GLY A 6 -42.282 6.803 -23.260 1.00 84.49 N +ATOM 46 CA GLY A 6 -41.268 6.280 -22.359 1.00 85.20 C +ATOM 47 C GLY A 6 -41.126 4.771 -22.431 1.00 84.33 C +ATOM 48 O GLY A 6 -40.011 4.249 -22.491 1.00 82.75 O +ATOM 49 N SER A 7 -42.223 4.070 -22.494 1.00 84.80 N +ATOM 50 CA SER A 7 -42.217 2.611 -22.515 1.00 85.80 C +ATOM 51 C SER A 7 -41.644 2.079 -23.825 1.00 83.02 C +ATOM 52 CB SER A 7 -43.631 2.066 -22.309 1.00 83.19 C +ATOM 53 O SER A 7 -40.880 1.112 -23.826 1.00 80.51 O +ATOM 54 OG SER A 7 -44.466 2.407 -23.403 1.00 76.81 O +ATOM 55 N VAL A 8 -41.947 2.820 -24.955 1.00 83.42 N +ATOM 56 CA VAL A 8 -41.454 2.409 -26.266 1.00 84.33 C +ATOM 57 C VAL A 8 -39.938 2.579 -26.325 1.00 81.42 C +ATOM 58 CB VAL A 8 -42.125 3.213 -27.402 1.00 83.19 C +ATOM 59 O VAL A 8 -39.224 1.682 -26.778 1.00 79.84 O +ATOM 60 CG1 VAL A 8 -41.508 2.856 -28.753 1.00 83.26 C +ATOM 61 CG2 VAL A 8 -43.632 2.960 -27.416 1.00 82.19 C +ATOM 62 N VAL A 9 -39.446 3.728 -25.779 1.00 83.49 N +ATOM 63 CA VAL A 9 -38.007 3.972 -25.796 1.00 84.34 C +ATOM 64 C VAL A 9 -37.303 2.972 -24.882 1.00 80.22 C +ATOM 65 CB VAL A 9 -37.671 5.417 -25.364 1.00 82.30 C +ATOM 66 O VAL A 9 -36.248 2.437 -25.232 1.00 77.64 O +ATOM 67 CG1 VAL A 9 -36.164 5.591 -25.188 1.00 78.85 C +ATOM 68 CG2 VAL A 9 -38.212 6.417 -26.384 1.00 77.34 C +ATOM 69 N PHE A 10 -37.888 2.619 -23.765 1.00 86.28 N +ATOM 70 CA PHE A 10 -37.292 1.668 -22.835 1.00 87.46 C +ATOM 71 C PHE A 10 -37.298 0.261 -23.421 1.00 83.79 C +ATOM 72 CB PHE A 10 -38.038 1.682 -21.497 1.00 84.36 C +ATOM 73 O PHE A 10 -36.316 -0.474 -23.295 1.00 80.96 O +ATOM 74 CG PHE A 10 -37.148 1.467 -20.303 1.00 76.90 C +ATOM 75 CD1 PHE A 10 -36.970 0.195 -19.772 1.00 71.25 C +ATOM 76 CD2 PHE A 10 -36.489 2.537 -19.711 1.00 72.31 C +ATOM 77 CE1 PHE A 10 -36.146 -0.007 -18.667 1.00 72.40 C +ATOM 78 CE2 PHE A 10 -35.665 2.342 -18.606 1.00 69.06 C +ATOM 79 CZ PHE A 10 -35.496 1.070 -18.085 1.00 73.12 C +ATOM 80 N ALA A 11 -38.353 -0.127 -24.095 1.00 85.49 N +ATOM 81 CA ALA A 11 -38.444 -1.440 -24.729 1.00 86.36 C +ATOM 82 C ALA A 11 -37.462 -1.557 -25.892 1.00 83.33 C +ATOM 83 CB ALA A 11 -39.869 -1.699 -25.213 1.00 85.08 C +ATOM 84 O ALA A 11 -36.812 -2.591 -26.062 1.00 81.09 O +ATOM 85 N ALA A 12 -37.316 -0.477 -26.752 1.00 86.07 N +ATOM 86 CA ALA A 12 -36.344 -0.457 -27.841 1.00 86.78 C +ATOM 87 C ALA A 12 -34.918 -0.556 -27.305 1.00 82.34 C +ATOM 88 CB ALA A 12 -36.508 0.808 -28.679 1.00 85.07 C +ATOM 89 O ALA A 12 -34.108 -1.333 -27.817 1.00 80.07 O +ATOM 90 N ARG A 13 -34.599 0.218 -26.193 1.00 85.90 N +ATOM 91 CA ARG A 13 -33.274 0.118 -25.588 1.00 86.09 C +ATOM 92 C ARG A 13 -33.023 -1.286 -25.048 1.00 81.50 C +ATOM 93 CB ARG A 13 -33.117 1.146 -24.465 1.00 83.73 C +ATOM 94 O ARG A 13 -31.973 -1.878 -25.308 1.00 78.86 O +ATOM 95 CG ARG A 13 -31.678 1.358 -24.022 1.00 79.44 C +ATOM 96 CD ARG A 13 -31.559 2.500 -23.022 1.00 78.71 C +ATOM 97 NE ARG A 13 -30.172 2.726 -22.626 1.00 80.54 N +ATOM 98 NH1 ARG A 13 -30.645 4.500 -21.223 1.00 71.29 N +ATOM 99 NH2 ARG A 13 -28.482 3.789 -21.489 1.00 67.41 N +ATOM 100 CZ ARG A 13 -29.770 3.671 -21.780 1.00 76.33 C +ATOM 101 N ARG A 14 -34.010 -1.909 -24.381 1.00 87.12 N +ATOM 102 CA ARG A 14 -33.824 -3.255 -23.849 1.00 87.39 C +ATOM 103 C ARG A 14 -33.621 -4.265 -24.974 1.00 85.08 C +ATOM 104 CB ARG A 14 -35.021 -3.664 -22.987 1.00 85.31 C +ATOM 105 O ARG A 14 -32.799 -5.176 -24.856 1.00 83.23 O +ATOM 106 CG ARG A 14 -34.669 -4.617 -21.857 1.00 80.78 C +ATOM 107 CD ARG A 14 -35.873 -4.913 -20.974 1.00 80.82 C +ATOM 108 NE ARG A 14 -35.527 -5.811 -19.875 1.00 80.76 N +ATOM 109 NH1 ARG A 14 -37.639 -5.814 -18.940 1.00 73.92 N +ATOM 110 NH2 ARG A 14 -35.954 -7.037 -17.980 1.00 70.87 N +ATOM 111 CZ ARG A 14 -36.374 -6.219 -18.934 1.00 77.11 C +ATOM 112 N ARG A 15 -34.339 -4.159 -26.114 1.00 87.59 N +ATOM 113 CA ARG A 15 -34.163 -5.065 -27.244 1.00 87.88 C +ATOM 114 C ARG A 15 -32.773 -4.918 -27.853 1.00 84.39 C +ATOM 115 CB ARG A 15 -35.232 -4.810 -28.309 1.00 86.19 C +ATOM 116 O ARG A 15 -32.113 -5.915 -28.155 1.00 81.69 O +ATOM 117 CG ARG A 15 -35.517 -6.012 -29.196 1.00 83.50 C +ATOM 118 CD ARG A 15 -36.646 -5.733 -30.178 1.00 83.36 C +ATOM 119 NE ARG A 15 -37.257 -6.967 -30.662 1.00 84.27 N +ATOM 120 NH1 ARG A 15 -38.813 -5.914 -32.007 1.00 76.51 N +ATOM 121 NH2 ARG A 15 -38.752 -8.202 -31.893 1.00 74.33 N +ATOM 122 CZ ARG A 15 -38.272 -7.025 -31.520 1.00 81.15 C +ATOM 123 N ASN A 16 -32.275 -3.677 -28.024 1.00 84.80 N +ATOM 124 CA ASN A 16 -30.927 -3.476 -28.546 1.00 85.46 C +ATOM 125 C ASN A 16 -29.869 -4.013 -27.587 1.00 81.22 C +ATOM 126 CB ASN A 16 -30.679 -1.994 -28.835 1.00 81.66 C +ATOM 127 O ASN A 16 -28.864 -4.581 -28.019 1.00 78.23 O +ATOM 128 CG ASN A 16 -31.321 -1.536 -30.130 1.00 74.99 C +ATOM 129 ND2 ASN A 16 -31.207 -0.247 -30.425 1.00 76.37 N +ATOM 130 OD1 ASN A 16 -31.915 -2.335 -30.859 1.00 72.87 O +ATOM 131 N GLU A 17 -30.119 -3.838 -26.215 1.00 82.07 N +ATOM 132 CA GLU A 17 -29.200 -4.399 -25.230 1.00 81.56 C +ATOM 133 C GLU A 17 -29.243 -5.925 -25.241 1.00 79.52 C +ATOM 134 CB GLU A 17 -29.525 -3.873 -23.830 1.00 79.16 C +ATOM 135 O GLU A 17 -28.204 -6.581 -25.149 1.00 77.56 O +ATOM 136 CG GLU A 17 -29.033 -2.456 -23.575 1.00 74.99 C +ATOM 137 CD GLU A 17 -29.511 -1.884 -22.250 1.00 74.32 C +ATOM 138 OE1 GLU A 17 -30.241 -2.586 -21.514 1.00 77.56 O +ATOM 139 OE2 GLU A 17 -29.152 -0.725 -21.946 1.00 79.90 O +ATOM 140 N GLU A 18 -30.480 -6.565 -25.386 1.00 83.33 N +ATOM 141 CA GLU A 18 -30.604 -8.017 -25.463 1.00 83.84 C +ATOM 142 C GLU A 18 -30.002 -8.555 -26.757 1.00 81.93 C +ATOM 143 CB GLU A 18 -32.072 -8.439 -25.351 1.00 82.33 C +ATOM 144 O GLU A 18 -29.342 -9.597 -26.755 1.00 80.22 O +ATOM 145 CG GLU A 18 -32.608 -8.428 -23.927 1.00 79.46 C +ATOM 146 CD GLU A 18 -34.070 -8.834 -23.833 1.00 79.57 C +ATOM 147 OE1 GLU A 18 -34.693 -9.106 -24.884 1.00 83.19 O +ATOM 148 OE2 GLU A 18 -34.597 -8.880 -22.699 1.00 86.98 O +ATOM 149 N GLU A 19 -30.241 -7.868 -27.982 1.00 81.62 N +ATOM 150 CA GLU A 19 -29.650 -8.268 -29.256 1.00 81.20 C +ATOM 151 C GLU A 19 -28.131 -8.127 -29.228 1.00 77.37 C +ATOM 152 CB GLU A 19 -30.235 -7.442 -30.404 1.00 78.48 C +ATOM 153 O GLU A 19 -27.409 -9.070 -29.559 1.00 74.39 O +ATOM 154 CG GLU A 19 -31.487 -8.047 -31.022 1.00 74.30 C +ATOM 155 CD GLU A 19 -32.135 -7.150 -32.065 1.00 73.17 C +ATOM 156 OE1 GLU A 19 -31.684 -5.994 -32.236 1.00 78.97 O +ATOM 157 OE2 GLU A 19 -33.101 -7.606 -32.716 1.00 83.37 O +ATOM 158 N THR A 20 -27.562 -6.979 -28.645 1.00 77.29 N +ATOM 159 CA THR A 20 -26.125 -6.765 -28.515 1.00 77.04 C +ATOM 160 C THR A 20 -25.509 -7.787 -27.564 1.00 73.40 C +ATOM 161 CB THR A 20 -25.815 -5.342 -28.014 1.00 73.75 C +ATOM 162 O THR A 20 -24.412 -8.291 -27.811 1.00 70.45 O +ATOM 163 CG2 THR A 20 -24.825 -4.638 -28.937 1.00 64.25 C +ATOM 164 OG1 THR A 20 -27.030 -4.583 -27.967 1.00 64.54 O +ATOM 165 N THR A 21 -26.201 -8.083 -26.447 1.00 73.28 N +ATOM 166 CA THR A 21 -25.734 -9.109 -25.521 1.00 73.66 C +ATOM 167 C THR A 21 -25.778 -10.487 -26.175 1.00 72.89 C +ATOM 168 CB THR A 21 -26.575 -9.123 -24.231 1.00 71.04 C +ATOM 169 O THR A 21 -24.864 -11.295 -25.994 1.00 72.30 O +ATOM 170 CG2 THR A 21 -25.875 -9.909 -23.127 1.00 62.81 C +ATOM 171 OG1 THR A 21 -26.779 -7.776 -23.787 1.00 64.58 O +ATOM 172 N ARG A 22 -26.842 -10.832 -26.893 1.00 71.65 N +ATOM 173 CA ARG A 22 -26.938 -12.107 -27.596 1.00 70.63 C +ATOM 174 C ARG A 22 -25.877 -12.213 -28.686 1.00 69.16 C +ATOM 175 CB ARG A 22 -28.332 -12.282 -28.203 1.00 70.54 C +ATOM 176 O ARG A 22 -25.216 -13.245 -28.818 1.00 67.56 O +ATOM 177 CG ARG A 22 -29.362 -12.836 -27.231 1.00 73.15 C +ATOM 178 CD ARG A 22 -30.722 -13.015 -27.891 1.00 73.27 C +ATOM 179 NE ARG A 22 -31.706 -13.559 -26.960 1.00 73.86 N +ATOM 180 NH1 ARG A 22 -33.317 -13.951 -28.568 1.00 68.98 N +ATOM 181 NH2 ARG A 22 -33.732 -14.468 -26.374 1.00 67.32 N +ATOM 182 CZ ARG A 22 -32.916 -13.992 -27.303 1.00 77.31 C +ATOM 183 N GLU A 23 -25.684 -11.128 -29.519 1.00 67.00 N +ATOM 184 CA GLU A 23 -24.632 -11.115 -30.530 1.00 66.77 C +ATOM 185 C GLU A 23 -23.250 -11.209 -29.890 1.00 63.95 C +ATOM 186 CB GLU A 23 -24.728 -9.852 -31.391 1.00 63.54 C +ATOM 187 O GLU A 23 -22.390 -11.955 -30.363 1.00 61.90 O +ATOM 188 CG GLU A 23 -25.603 -10.014 -32.625 1.00 61.23 C +ATOM 189 CD GLU A 23 -25.596 -8.793 -33.530 1.00 60.18 C +ATOM 190 OE1 GLU A 23 -25.191 -7.700 -33.072 1.00 68.06 O +ATOM 191 OE2 GLU A 23 -25.999 -8.929 -34.707 1.00 68.68 O +ATOM 192 N SER A 24 -23.046 -10.537 -28.749 1.00 58.66 N +ATOM 193 CA SER A 24 -21.757 -10.597 -28.067 1.00 58.91 C +ATOM 194 C SER A 24 -21.491 -11.990 -27.508 1.00 57.87 C +ATOM 195 CB SER A 24 -21.698 -9.566 -26.939 1.00 56.64 C +ATOM 196 O SER A 24 -20.371 -12.497 -27.598 1.00 57.33 O +ATOM 197 OG SER A 24 -22.708 -9.816 -25.977 1.00 55.21 O +ATOM 198 N ILE A 25 -22.496 -12.605 -26.880 1.00 57.97 N +ATOM 199 CA ILE A 25 -22.350 -13.968 -26.380 1.00 57.95 C +ATOM 200 C ILE A 25 -22.241 -14.939 -27.553 1.00 58.01 C +ATOM 201 CB ILE A 25 -23.531 -14.363 -25.464 1.00 55.65 C +ATOM 202 O ILE A 25 -21.452 -15.886 -27.512 1.00 57.67 O +ATOM 203 CG1 ILE A 25 -23.480 -13.568 -24.154 1.00 49.54 C +ATOM 204 CG2 ILE A 25 -23.522 -15.870 -25.192 1.00 51.41 C +ATOM 205 CD1 ILE A 25 -24.736 -13.697 -23.303 1.00 50.42 C +ATOM 206 N PHE A 26 -23.009 -14.777 -28.631 1.00 52.27 N +ATOM 207 CA PHE A 26 -23.041 -15.670 -29.783 1.00 53.43 C +ATOM 208 C PHE A 26 -21.737 -15.586 -30.569 1.00 51.70 C +ATOM 209 CB PHE A 26 -24.225 -15.332 -30.694 1.00 47.80 C +ATOM 210 O PHE A 26 -21.234 -16.601 -31.056 1.00 49.26 O +ATOM 211 CG PHE A 26 -25.008 -16.536 -31.144 1.00 45.22 C +ATOM 212 CD1 PHE A 26 -24.679 -17.196 -32.321 1.00 40.91 C +ATOM 213 CD2 PHE A 26 -26.073 -17.008 -30.388 1.00 43.96 C +ATOM 214 CE1 PHE A 26 -25.402 -18.311 -32.740 1.00 46.26 C +ATOM 215 CE2 PHE A 26 -26.800 -18.122 -30.800 1.00 46.60 C +ATOM 216 CZ PHE A 26 -26.463 -18.771 -31.977 1.00 41.83 C +ATOM 217 N VAL A 27 -21.151 -14.328 -30.767 1.00 52.31 N +ATOM 218 CA VAL A 27 -19.859 -14.182 -31.430 1.00 51.98 C +ATOM 219 C VAL A 27 -18.803 -15.001 -30.692 1.00 51.98 C +ATOM 220 CB VAL A 27 -19.427 -12.701 -31.509 1.00 49.17 C +ATOM 221 O VAL A 27 -17.902 -15.569 -31.314 1.00 50.68 O +ATOM 222 CG1 VAL A 27 -18.040 -12.576 -32.139 1.00 43.62 C +ATOM 223 CG2 VAL A 27 -20.451 -11.888 -32.299 1.00 45.08 C +ATOM 224 N TYR A 28 -19.050 -15.313 -29.415 1.00 52.33 N +ATOM 225 CA TYR A 28 -18.059 -16.093 -28.682 1.00 53.76 C +ATOM 226 C TYR A 28 -18.350 -17.585 -28.791 1.00 52.67 C +ATOM 227 CB TYR A 28 -18.027 -15.673 -27.209 1.00 50.80 C +ATOM 228 O TYR A 28 -17.441 -18.411 -28.684 1.00 52.18 O +ATOM 229 CG TYR A 28 -16.979 -14.633 -26.897 1.00 50.19 C +ATOM 230 CD1 TYR A 28 -15.654 -14.998 -26.667 1.00 46.93 C +ATOM 231 CD2 TYR A 28 -17.311 -13.284 -26.831 1.00 47.77 C +ATOM 232 CE1 TYR A 28 -14.685 -14.043 -26.377 1.00 45.31 C +ATOM 233 CE2 TYR A 28 -16.350 -12.321 -26.541 1.00 47.32 C +ATOM 234 OH TYR A 28 -14.087 -11.760 -26.030 1.00 35.08 O +ATOM 235 CZ TYR A 28 -15.042 -12.709 -26.317 1.00 43.84 C +ATOM 236 N THR A 29 -19.619 -18.020 -28.994 1.00 54.55 N +ATOM 237 CA THR A 29 -19.905 -19.446 -28.886 1.00 55.72 C +ATOM 238 C THR A 29 -19.938 -20.097 -30.266 1.00 55.08 C +ATOM 239 CB THR A 29 -21.243 -19.695 -28.167 1.00 52.16 C +ATOM 240 O THR A 29 -19.734 -21.307 -30.393 1.00 54.55 O +ATOM 241 CG2 THR A 29 -21.132 -19.391 -26.676 1.00 47.75 C +ATOM 242 OG1 THR A 29 -22.252 -18.854 -28.741 1.00 48.72 O +ATOM 243 N ASN A 30 -20.112 -19.250 -31.355 1.00 55.48 N +ATOM 244 CA ASN A 30 -20.483 -19.952 -32.580 1.00 56.57 C +ATOM 245 C ASN A 30 -19.466 -19.713 -33.692 1.00 55.33 C +ATOM 246 CB ASN A 30 -21.880 -19.529 -33.038 1.00 49.88 C +ATOM 247 O ASN A 30 -19.702 -20.080 -34.844 1.00 52.09 O +ATOM 248 CG ASN A 30 -22.701 -20.693 -33.557 1.00 48.03 C +ATOM 249 ND2 ASN A 30 -23.935 -20.415 -33.960 1.00 47.90 N +ATOM 250 OD1 ASN A 30 -22.231 -21.833 -33.593 1.00 49.58 O +ATOM 251 N SER A 31 -18.237 -18.993 -33.280 1.00 52.70 N +ATOM 252 CA SER A 31 -17.155 -18.897 -34.255 1.00 54.04 C +ATOM 253 C SER A 31 -16.293 -20.155 -34.250 1.00 53.59 C +ATOM 254 CB SER A 31 -16.285 -17.671 -33.973 1.00 49.32 C +ATOM 255 O SER A 31 -15.492 -20.361 -33.336 1.00 52.36 O +ATOM 256 OG SER A 31 -14.927 -17.939 -34.273 1.00 46.72 O +ATOM 257 N ASN A 32 -16.756 -21.237 -34.708 1.00 61.90 N +ATOM 258 CA ASN A 32 -15.816 -22.213 -35.248 1.00 61.75 C +ATOM 259 C ASN A 32 -14.684 -21.537 -36.015 1.00 61.19 C +ATOM 260 CB ASN A 32 -16.541 -23.217 -36.146 1.00 57.83 C +ATOM 261 O ASN A 32 -13.787 -22.209 -36.527 1.00 58.55 O +ATOM 262 CG ASN A 32 -17.326 -24.247 -35.357 1.00 55.32 C +ATOM 263 ND2 ASN A 32 -18.226 -24.951 -36.033 1.00 55.55 N +ATOM 264 OD1 ASN A 32 -17.125 -24.407 -34.151 1.00 56.32 O +ATOM 265 N ASN A 33 -14.542 -20.203 -36.164 1.00 60.23 N +ATOM 266 CA ASN A 33 -13.351 -19.384 -36.368 1.00 59.87 C +ATOM 267 C ASN A 33 -12.758 -18.918 -35.041 1.00 59.40 C +ATOM 268 CB ASN A 33 -13.673 -18.182 -37.257 1.00 56.47 C +ATOM 269 O ASN A 33 -13.011 -17.795 -34.604 1.00 56.46 O +ATOM 270 CG ASN A 33 -13.469 -18.474 -38.731 1.00 54.88 C +ATOM 271 ND2 ASN A 33 -14.084 -17.667 -39.586 1.00 54.30 N +ATOM 272 OD1 ASN A 33 -12.765 -19.419 -39.097 1.00 54.41 O +ATOM 273 N THR A 34 -12.445 -19.844 -34.172 1.00 58.44 N +ATOM 274 CA THR A 34 -11.582 -19.663 -33.010 1.00 58.07 C +ATOM 275 C THR A 34 -10.474 -18.658 -33.311 1.00 58.76 C +ATOM 276 CB THR A 34 -10.959 -20.999 -32.564 1.00 54.46 C +ATOM 277 O THR A 34 -9.289 -18.975 -33.185 1.00 56.69 O +ATOM 278 CG2 THR A 34 -12.007 -21.912 -31.937 1.00 49.93 C +ATOM 279 OG1 THR A 34 -10.388 -21.657 -33.702 1.00 49.36 O +ATOM 280 N ARG A 35 -10.580 -17.717 -34.291 1.00 63.94 N +ATOM 281 CA ARG A 35 -9.571 -16.675 -34.135 1.00 62.45 C +ATOM 282 C ARG A 35 -9.693 -15.994 -32.776 1.00 63.28 C +ATOM 283 CB ARG A 35 -9.691 -15.638 -35.254 1.00 60.83 C +ATOM 284 O ARG A 35 -10.654 -15.262 -32.527 1.00 60.58 O +ATOM 285 CG ARG A 35 -9.190 -16.127 -36.603 1.00 58.99 C +ATOM 286 CD ARG A 35 -9.290 -15.044 -37.668 1.00 57.85 C +ATOM 287 NE ARG A 35 -8.803 -15.514 -38.962 1.00 50.38 N +ATOM 288 NH1 ARG A 35 -9.353 -13.582 -40.103 1.00 47.26 N +ATOM 289 NH2 ARG A 35 -8.373 -15.333 -41.211 1.00 44.26 N +ATOM 290 CZ ARG A 35 -8.844 -14.809 -40.089 1.00 60.58 C +ATOM 291 N ASP A 36 -8.945 -16.400 -31.769 1.00 60.42 N +ATOM 292 CA ASP A 36 -8.785 -15.697 -30.500 1.00 60.21 C +ATOM 293 C ASP A 36 -8.844 -14.184 -30.698 1.00 60.88 C +ATOM 294 CB ASP A 36 -7.465 -16.090 -29.832 1.00 58.67 C +ATOM 295 O ASP A 36 -8.155 -13.639 -31.563 1.00 59.76 O +ATOM 296 CG ASP A 36 -7.492 -15.922 -28.322 1.00 57.45 C +ATOM 297 OD1 ASP A 36 -8.242 -15.059 -27.818 1.00 56.46 O +ATOM 298 OD2 ASP A 36 -6.754 -16.658 -27.632 1.00 58.47 O +ATOM 299 N PRO A 37 -9.928 -13.374 -30.206 1.00 53.73 N +ATOM 300 CA PRO A 37 -9.911 -11.918 -30.357 1.00 52.93 C +ATOM 301 C PRO A 37 -8.511 -11.325 -30.212 1.00 54.07 C +ATOM 302 CB PRO A 37 -10.827 -11.435 -29.230 1.00 51.83 C +ATOM 303 O PRO A 37 -8.280 -10.176 -30.597 1.00 53.00 O +ATOM 304 CG PRO A 37 -10.822 -12.547 -28.231 1.00 50.63 C +ATOM 305 CD PRO A 37 -10.590 -13.840 -28.958 1.00 51.24 C +ATOM 306 N PHE A 38 -7.558 -12.157 -29.877 1.00 57.29 N +ATOM 307 CA PHE A 38 -6.156 -11.786 -29.728 1.00 57.29 C +ATOM 308 C PHE A 38 -5.340 -12.260 -30.926 1.00 57.69 C +ATOM 309 CB PHE A 38 -5.578 -12.369 -28.435 1.00 55.19 C +ATOM 310 O PHE A 38 -4.138 -12.000 -31.007 1.00 56.21 O +ATOM 311 CG PHE A 38 -6.251 -11.864 -27.188 1.00 53.83 C +ATOM 312 CD1 PHE A 38 -6.024 -10.570 -26.734 1.00 51.98 C +ATOM 313 CD2 PHE A 38 -7.110 -12.684 -26.468 1.00 52.52 C +ATOM 314 CE1 PHE A 38 -6.646 -10.100 -25.580 1.00 49.79 C +ATOM 315 CE2 PHE A 38 -7.735 -12.221 -25.313 1.00 49.69 C +ATOM 316 CZ PHE A 38 -7.501 -10.929 -24.870 1.00 53.37 C +ATOM 317 N ASP A 39 -5.777 -12.942 -31.864 1.00 61.96 N +ATOM 318 CA ASP A 39 -5.054 -13.343 -33.067 1.00 61.18 C +ATOM 319 C ASP A 39 -4.951 -12.186 -34.057 1.00 61.79 C +ATOM 320 CB ASP A 39 -5.735 -14.543 -33.728 1.00 58.66 C +ATOM 321 O ASP A 39 -4.717 -12.400 -35.249 1.00 59.37 O +ATOM 322 CG ASP A 39 -5.300 -15.872 -33.136 1.00 56.15 C +ATOM 323 OD1 ASP A 39 -4.247 -15.926 -32.466 1.00 56.77 O +ATOM 324 OD2 ASP A 39 -6.016 -16.876 -33.345 1.00 59.53 O +ATOM 325 N GLY A 40 -5.316 -11.013 -33.608 1.00 62.65 N +ATOM 326 CA GLY A 40 -5.025 -9.837 -34.413 1.00 62.59 C +ATOM 327 C GLY A 40 -3.542 -9.638 -34.664 1.00 63.48 C +ATOM 328 O GLY A 40 -2.721 -9.865 -33.773 1.00 62.42 O +ATOM 329 N PRO A 41 -3.071 -9.383 -35.853 1.00 57.31 N +ATOM 330 CA PRO A 41 -1.646 -9.323 -36.186 1.00 55.10 C +ATOM 331 C PRO A 41 -0.861 -8.402 -35.255 1.00 58.00 C +ATOM 332 CB PRO A 41 -1.641 -8.783 -37.619 1.00 51.55 C +ATOM 333 O PRO A 41 0.367 -8.332 -35.340 1.00 56.01 O +ATOM 334 CG PRO A 41 -2.928 -8.034 -37.749 1.00 48.09 C +ATOM 335 CD PRO A 41 -3.954 -8.692 -36.873 1.00 50.19 C +ATOM 336 N ASN A 42 -1.572 -7.773 -34.427 1.00 60.57 N +ATOM 337 CA ASN A 42 -0.898 -6.735 -33.655 1.00 59.94 C +ATOM 338 C ASN A 42 -0.651 -7.178 -32.216 1.00 60.49 C +ATOM 339 CB ASN A 42 -1.708 -5.437 -33.680 1.00 55.19 C +ATOM 340 O ASN A 42 0.024 -6.482 -31.456 1.00 57.39 O +ATOM 341 CG ASN A 42 -1.721 -4.782 -35.047 1.00 51.50 C +ATOM 342 ND2 ASN A 42 -2.792 -4.056 -35.347 1.00 49.19 N +ATOM 343 OD1 ASN A 42 -0.778 -4.929 -35.828 1.00 52.92 O +ATOM 344 N TYR A 43 -1.184 -8.312 -31.751 1.00 63.65 N +ATOM 345 CA TYR A 43 -0.796 -8.855 -30.453 1.00 62.89 C +ATOM 346 C TYR A 43 0.436 -9.742 -30.580 1.00 64.07 C +ATOM 347 CB TYR A 43 -1.951 -9.650 -29.836 1.00 60.38 C +ATOM 348 O TYR A 43 0.320 -10.967 -30.672 1.00 61.82 O +ATOM 349 CG TYR A 43 -3.051 -8.784 -29.272 1.00 58.36 C +ATOM 350 CD1 TYR A 43 -2.964 -8.266 -27.981 1.00 56.26 C +ATOM 351 CD2 TYR A 43 -4.178 -8.481 -30.027 1.00 56.81 C +ATOM 352 CE1 TYR A 43 -3.976 -7.469 -27.457 1.00 53.64 C +ATOM 353 CE2 TYR A 43 -5.197 -7.685 -29.513 1.00 52.75 C +ATOM 354 OH TYR A 43 -6.091 -6.396 -27.714 1.00 49.79 O +ATOM 355 CZ TYR A 43 -5.086 -7.184 -28.229 1.00 56.85 C +ATOM 356 N HIS A 44 1.547 -9.065 -30.769 1.00 65.85 N +ATOM 357 CA HIS A 44 2.783 -9.808 -30.550 1.00 65.89 C +ATOM 358 C HIS A 44 2.735 -10.583 -29.238 1.00 67.20 C +ATOM 359 CB HIS A 44 3.985 -8.862 -30.558 1.00 60.75 C +ATOM 360 O HIS A 44 2.936 -10.009 -28.165 1.00 64.27 O +ATOM 361 CG HIS A 44 4.254 -8.243 -31.893 1.00 56.14 C +ATOM 362 CD2 HIS A 44 4.105 -6.970 -32.329 1.00 54.02 C +ATOM 363 ND1 HIS A 44 4.735 -8.965 -32.963 1.00 61.35 N +ATOM 364 CE1 HIS A 44 4.872 -8.159 -34.004 1.00 52.60 C +ATOM 365 NE2 HIS A 44 4.496 -6.944 -33.645 1.00 46.69 N +ATOM 366 N ILE A 45 2.491 -11.809 -29.347 1.00 69.38 N +ATOM 367 CA ILE A 45 2.647 -12.704 -28.205 1.00 68.95 C +ATOM 368 C ILE A 45 4.050 -12.555 -27.621 1.00 70.68 C +ATOM 369 CB ILE A 45 2.384 -14.175 -28.600 1.00 66.13 C +ATOM 370 O ILE A 45 5.044 -12.830 -28.298 1.00 69.64 O +ATOM 371 CG1 ILE A 45 0.991 -14.320 -29.223 1.00 61.97 C +ATOM 372 CG2 ILE A 45 2.540 -15.095 -27.386 1.00 62.42 C +ATOM 373 CD1 ILE A 45 0.711 -15.701 -29.798 1.00 59.72 C +ATOM 374 N ALA A 46 4.090 -11.745 -26.555 1.00 75.34 N +ATOM 375 CA ALA A 46 5.369 -11.774 -25.852 1.00 76.04 C +ATOM 376 C ALA A 46 5.967 -13.178 -25.858 1.00 77.49 C +ATOM 377 CB ALA A 46 5.200 -11.279 -24.418 1.00 74.63 C +ATOM 378 O ALA A 46 5.243 -14.168 -25.727 1.00 77.93 O +ATOM 379 N PRO A 47 7.249 -13.383 -26.173 1.00 77.86 N +ATOM 380 CA PRO A 47 7.875 -14.705 -26.097 1.00 78.89 C +ATOM 381 C PRO A 47 7.585 -15.421 -24.780 1.00 80.39 C +ATOM 382 CB PRO A 47 9.368 -14.397 -26.234 1.00 77.69 C +ATOM 383 O PRO A 47 7.561 -14.788 -23.721 1.00 81.43 O +ATOM 384 CG PRO A 47 9.422 -13.069 -26.918 1.00 78.28 C +ATOM 385 CD PRO A 47 8.213 -12.275 -26.515 1.00 79.27 C +ATOM 386 N ARG A 48 7.397 -16.771 -24.709 1.00 79.21 N +ATOM 387 CA ARG A 48 6.981 -17.615 -23.593 1.00 79.99 C +ATOM 388 C ARG A 48 7.879 -17.399 -22.379 1.00 81.54 C +ATOM 389 CB ARG A 48 6.996 -19.090 -24.000 1.00 78.21 C +ATOM 390 O ARG A 48 7.422 -17.494 -21.238 1.00 82.29 O +ATOM 391 CG ARG A 48 6.477 -20.031 -22.924 1.00 74.64 C +ATOM 392 CD ARG A 48 6.358 -21.460 -23.434 1.00 73.67 C +ATOM 393 NE ARG A 48 5.828 -22.356 -22.410 1.00 67.62 N +ATOM 394 NH1 ARG A 48 5.838 -24.235 -23.754 1.00 67.67 N +ATOM 395 NH2 ARG A 48 5.110 -24.375 -21.585 1.00 63.40 N +ATOM 396 CZ ARG A 48 5.594 -23.653 -22.585 1.00 67.10 C +ATOM 397 N TRP A 49 9.164 -16.987 -22.571 1.00 83.52 N +ATOM 398 CA TRP A 49 10.125 -16.777 -21.493 1.00 85.50 C +ATOM 399 C TRP A 49 9.758 -15.549 -20.668 1.00 83.98 C +ATOM 400 CB TRP A 49 11.540 -16.625 -22.056 1.00 82.67 C +ATOM 401 O TRP A 49 10.007 -15.507 -19.461 1.00 81.82 O +ATOM 402 CG TRP A 49 11.710 -15.446 -22.967 1.00 80.80 C +ATOM 403 CD1 TRP A 49 11.678 -15.449 -24.334 1.00 77.80 C +ATOM 404 CD2 TRP A 49 11.943 -14.090 -22.574 1.00 81.50 C +ATOM 405 CE2 TRP A 49 12.042 -13.323 -23.756 1.00 84.73 C +ATOM 406 CE3 TRP A 49 12.077 -13.448 -21.335 1.00 82.90 C +ATOM 407 NE1 TRP A 49 11.877 -14.175 -24.814 1.00 81.75 N +ATOM 408 CH2 TRP A 49 12.396 -11.342 -22.510 1.00 82.67 C +ATOM 409 CZ2 TRP A 49 12.269 -11.945 -23.735 1.00 82.52 C +ATOM 410 CZ3 TRP A 49 12.303 -12.077 -21.317 1.00 82.67 C +ATOM 411 N VAL A 50 9.128 -14.569 -21.215 1.00 82.68 N +ATOM 412 CA VAL A 50 8.659 -13.390 -20.495 1.00 82.53 C +ATOM 413 C VAL A 50 7.567 -13.788 -19.505 1.00 82.59 C +ATOM 414 CB VAL A 50 8.131 -12.307 -21.464 1.00 81.42 C +ATOM 415 O VAL A 50 7.609 -13.398 -18.336 1.00 81.68 O +ATOM 416 CG1 VAL A 50 7.564 -11.119 -20.688 1.00 80.61 C +ATOM 417 CG2 VAL A 50 9.240 -11.852 -22.410 1.00 80.23 C +ATOM 418 N TYR A 51 6.623 -14.681 -19.925 1.00 79.62 N +ATOM 419 CA TYR A 51 5.574 -15.207 -19.059 1.00 79.92 C +ATOM 420 C TYR A 51 6.164 -16.057 -17.940 1.00 80.92 C +ATOM 421 CB TYR A 51 4.572 -16.034 -19.870 1.00 78.48 C +ATOM 422 O TYR A 51 5.746 -15.952 -16.785 1.00 80.86 O +ATOM 423 CG TYR A 51 3.796 -15.226 -20.882 1.00 75.44 C +ATOM 424 CD1 TYR A 51 2.700 -14.457 -20.496 1.00 73.16 C +ATOM 425 CD2 TYR A 51 4.157 -15.230 -22.225 1.00 73.38 C +ATOM 426 CE1 TYR A 51 1.981 -13.713 -21.426 1.00 70.90 C +ATOM 427 CE2 TYR A 51 3.445 -14.490 -23.163 1.00 70.56 C +ATOM 428 OH TYR A 51 1.653 -13.000 -23.679 1.00 65.15 O +ATOM 429 CZ TYR A 51 2.361 -13.735 -22.755 1.00 67.87 C +ATOM 430 N ASN A 52 7.159 -16.798 -18.264 1.00 83.93 N +ATOM 431 CA ASN A 52 7.848 -17.608 -17.265 1.00 84.66 C +ATOM 432 C ASN A 52 8.560 -16.739 -16.233 1.00 85.42 C +ATOM 433 CB ASN A 52 8.842 -18.557 -17.937 1.00 83.71 C +ATOM 434 O ASN A 52 8.433 -16.969 -15.029 1.00 85.57 O +ATOM 435 CG ASN A 52 8.159 -19.643 -18.744 1.00 82.53 C +ATOM 436 ND2 ASN A 52 8.932 -20.351 -19.559 1.00 85.22 N +ATOM 437 OD1 ASN A 52 6.946 -19.844 -18.637 1.00 84.34 O +ATOM 438 N ILE A 53 9.243 -15.670 -16.643 1.00 86.06 N +ATOM 439 CA ILE A 53 9.914 -14.741 -15.739 1.00 86.41 C +ATOM 440 C ILE A 53 8.879 -14.029 -14.870 1.00 86.48 C +ATOM 441 CB ILE A 53 10.762 -13.710 -16.516 1.00 85.58 C +ATOM 442 O ILE A 53 9.042 -13.935 -13.652 1.00 85.97 O +ATOM 443 CG1 ILE A 53 12.011 -14.379 -17.102 1.00 85.80 C +ATOM 444 CG2 ILE A 53 11.144 -12.534 -15.612 1.00 85.05 C +ATOM 445 CD1 ILE A 53 12.792 -13.495 -18.065 1.00 84.25 C +ATOM 446 N ALA A 54 7.796 -13.610 -15.449 1.00 83.98 N +ATOM 447 CA ALA A 54 6.706 -12.945 -14.741 1.00 83.94 C +ATOM 448 C ALA A 54 6.087 -13.867 -13.695 1.00 84.64 C +ATOM 449 CB ALA A 54 5.640 -12.474 -15.727 1.00 82.63 C +ATOM 450 O ALA A 54 5.869 -13.461 -12.551 1.00 84.26 O +ATOM 451 N THR A 55 5.919 -15.074 -13.975 1.00 84.33 N +ATOM 452 CA THR A 55 5.394 -16.099 -13.080 1.00 84.86 C +ATOM 453 C THR A 55 6.356 -16.352 -11.924 1.00 86.02 C +ATOM 454 CB THR A 55 5.133 -17.417 -13.833 1.00 83.82 C +ATOM 455 O THR A 55 5.955 -16.327 -10.758 1.00 86.36 O +ATOM 456 CG2 THR A 55 4.571 -18.482 -12.898 1.00 82.26 C +ATOM 457 OG1 THR A 55 4.194 -17.180 -14.889 1.00 83.54 O +ATOM 458 N VAL A 56 7.580 -16.535 -12.271 1.00 88.29 N +ATOM 459 CA VAL A 56 8.594 -16.749 -11.243 1.00 89.07 C +ATOM 460 C VAL A 56 8.668 -15.529 -10.328 1.00 89.45 C +ATOM 461 CB VAL A 56 9.980 -17.034 -11.864 1.00 88.60 C +ATOM 462 O VAL A 56 8.655 -15.663 -9.102 1.00 89.48 O +ATOM 463 CG1 VAL A 56 11.067 -17.013 -10.791 1.00 89.14 C +ATOM 464 CG2 VAL A 56 9.971 -18.375 -12.595 1.00 88.56 C +ATOM 465 N TRP A 57 8.650 -14.361 -10.872 1.00 88.45 N +ATOM 466 CA TRP A 57 8.649 -13.120 -10.104 1.00 89.32 C +ATOM 467 C TRP A 57 7.431 -13.046 -9.190 1.00 89.20 C +ATOM 468 CB TRP A 57 8.674 -11.909 -11.041 1.00 88.23 C +ATOM 469 O TRP A 57 7.561 -12.774 -7.994 1.00 88.34 O +ATOM 470 CG TRP A 57 8.597 -10.590 -10.332 1.00 85.08 C +ATOM 471 CD1 TRP A 57 7.509 -9.768 -10.235 1.00 81.97 C +ATOM 472 CD2 TRP A 57 9.657 -9.937 -9.625 1.00 83.13 C +ATOM 473 CE2 TRP A 57 9.138 -8.723 -9.123 1.00 84.53 C +ATOM 474 CE3 TRP A 57 10.995 -10.262 -9.366 1.00 83.00 C +ATOM 475 NE1 TRP A 57 7.827 -8.644 -9.509 1.00 82.43 N +ATOM 476 CH2 TRP A 57 11.219 -8.175 -8.138 1.00 82.16 C +ATOM 477 CZ2 TRP A 57 9.913 -7.832 -8.377 1.00 82.48 C +ATOM 478 CZ3 TRP A 57 11.764 -9.375 -8.623 1.00 82.31 C +ATOM 479 N MET A 58 6.234 -13.406 -9.659 1.00 87.28 N +ATOM 480 CA MET A 58 5.004 -13.392 -8.873 1.00 87.29 C +ATOM 481 C MET A 58 5.091 -14.372 -7.708 1.00 88.46 C +ATOM 482 CB MET A 58 3.799 -13.731 -9.753 1.00 85.04 C +ATOM 483 O MET A 58 4.724 -14.037 -6.581 1.00 88.11 O +ATOM 484 CG MET A 58 3.378 -12.600 -10.677 1.00 76.76 C +ATOM 485 SD MET A 58 2.887 -11.088 -9.760 1.00 72.02 S +ATOM 486 CE MET A 58 1.397 -11.693 -8.920 1.00 64.49 C +ATOM 487 N PHE A 59 5.690 -15.540 -7.899 1.00 89.38 N +ATOM 488 CA PHE A 59 5.896 -16.506 -6.826 1.00 90.37 C +ATOM 489 C PHE A 59 6.855 -15.954 -5.778 1.00 91.27 C +ATOM 490 CB PHE A 59 6.433 -17.827 -7.385 1.00 88.98 C +ATOM 491 O PHE A 59 6.592 -16.049 -4.577 1.00 91.53 O +ATOM 492 CG PHE A 59 5.364 -18.734 -7.932 1.00 84.57 C +ATOM 493 CD1 PHE A 59 4.437 -19.328 -7.085 1.00 81.72 C +ATOM 494 CD2 PHE A 59 5.286 -18.992 -9.295 1.00 82.13 C +ATOM 495 CE1 PHE A 59 3.446 -20.168 -7.589 1.00 80.87 C +ATOM 496 CE2 PHE A 59 4.299 -19.830 -9.805 1.00 81.04 C +ATOM 497 CZ PHE A 59 3.381 -20.418 -8.950 1.00 78.86 C +ATOM 498 N VAL A 60 7.911 -15.314 -6.247 1.00 92.27 N +ATOM 499 CA VAL A 60 8.868 -14.682 -5.344 1.00 92.85 C +ATOM 500 C VAL A 60 8.172 -13.588 -4.537 1.00 93.23 C +ATOM 501 CB VAL A 60 10.070 -14.092 -6.115 1.00 92.21 C +ATOM 502 O VAL A 60 8.290 -13.544 -3.310 1.00 93.11 O +ATOM 503 CG1 VAL A 60 10.947 -13.253 -5.187 1.00 90.86 C +ATOM 504 CG2 VAL A 60 10.888 -15.208 -6.763 1.00 90.34 C +ATOM 505 N VAL A 61 7.364 -12.751 -5.150 1.00 90.77 N +ATOM 506 CA VAL A 61 6.620 -11.674 -4.505 1.00 91.15 C +ATOM 507 C VAL A 61 5.633 -12.258 -3.496 1.00 91.80 C +ATOM 508 CB VAL A 61 5.871 -10.803 -5.538 1.00 89.77 C +ATOM 509 O VAL A 61 5.561 -11.801 -2.353 1.00 91.49 O +ATOM 510 CG1 VAL A 61 4.891 -9.860 -4.842 1.00 84.60 C +ATOM 511 CG2 VAL A 61 6.864 -10.013 -6.388 1.00 84.56 C +ATOM 512 N VAL A 62 4.936 -13.309 -3.756 1.00 92.11 N +ATOM 513 CA VAL A 62 3.974 -13.957 -2.872 1.00 92.63 C +ATOM 514 C VAL A 62 4.688 -14.488 -1.631 1.00 93.48 C +ATOM 515 CB VAL A 62 3.227 -15.104 -3.589 1.00 91.16 C +ATOM 516 O VAL A 62 4.267 -14.222 -0.503 1.00 93.47 O +ATOM 517 CG1 VAL A 62 2.422 -15.933 -2.589 1.00 85.95 C +ATOM 518 CG2 VAL A 62 2.315 -14.546 -4.681 1.00 86.02 C +ATOM 519 N ILE A 63 5.767 -15.220 -1.848 1.00 94.71 N +ATOM 520 CA ILE A 63 6.509 -15.817 -0.743 1.00 95.30 C +ATOM 521 C ILE A 63 7.055 -14.718 0.166 1.00 95.77 C +ATOM 522 CB ILE A 63 7.661 -16.711 -1.255 1.00 94.74 C +ATOM 523 O ILE A 63 6.828 -14.737 1.378 1.00 95.78 O +ATOM 524 CG1 ILE A 63 7.102 -17.976 -1.916 1.00 92.86 C +ATOM 525 CG2 ILE A 63 8.617 -17.067 -0.112 1.00 92.40 C +ATOM 526 CD1 ILE A 63 8.134 -18.769 -2.706 1.00 90.68 C +ATOM 527 N LEU A 64 7.690 -13.708 -0.430 1.00 94.25 N +ATOM 528 CA LEU A 64 8.318 -12.640 0.340 1.00 94.67 C +ATOM 529 C LEU A 64 7.266 -11.762 1.010 1.00 94.88 C +ATOM 530 CB LEU A 64 9.214 -11.786 -0.560 1.00 94.06 C +ATOM 531 O LEU A 64 7.388 -11.431 2.191 1.00 94.66 O +ATOM 532 CG LEU A 64 10.476 -12.462 -1.098 1.00 92.09 C +ATOM 533 CD1 LEU A 64 11.261 -11.496 -1.979 1.00 89.88 C +ATOM 534 CD2 LEU A 64 11.342 -12.970 0.050 1.00 89.82 C +ATOM 535 N SER A 65 6.174 -11.391 0.339 1.00 94.45 N +ATOM 536 CA SER A 65 5.085 -10.591 0.889 1.00 94.61 C +ATOM 537 C SER A 65 4.367 -11.332 2.012 1.00 94.80 C +ATOM 538 CB SER A 65 4.086 -10.219 -0.207 1.00 93.62 C +ATOM 539 O SER A 65 4.208 -10.799 3.112 1.00 94.33 O +ATOM 540 OG SER A 65 3.040 -9.419 0.316 1.00 85.11 O +ATOM 541 N THR A 66 4.023 -12.597 1.825 1.00 95.71 N +ATOM 542 CA THR A 66 3.359 -13.399 2.847 1.00 95.83 C +ATOM 543 C THR A 66 4.258 -13.572 4.067 1.00 95.91 C +ATOM 544 CB THR A 66 2.960 -14.782 2.300 1.00 94.90 C +ATOM 545 O THR A 66 3.801 -13.442 5.205 1.00 95.60 O +ATOM 546 CG2 THR A 66 2.210 -15.593 3.351 1.00 89.43 C +ATOM 547 OG1 THR A 66 2.117 -14.611 1.154 1.00 91.05 O +ATOM 548 N PHE A 67 5.525 -13.827 3.849 1.00 95.50 N +ATOM 549 CA PHE A 67 6.484 -13.980 4.937 1.00 95.78 C +ATOM 550 C PHE A 67 6.650 -12.672 5.700 1.00 95.63 C +ATOM 551 CB PHE A 67 7.839 -14.449 4.398 1.00 95.36 C +ATOM 552 O PHE A 67 6.490 -12.636 6.922 1.00 95.26 O +ATOM 553 CG PHE A 67 8.910 -14.545 5.450 1.00 93.54 C +ATOM 554 CD1 PHE A 67 8.938 -15.613 6.338 1.00 91.43 C +ATOM 555 CD2 PHE A 67 9.891 -13.567 5.551 1.00 91.38 C +ATOM 556 CE1 PHE A 67 9.929 -15.705 7.313 1.00 90.37 C +ATOM 557 CE2 PHE A 67 10.884 -13.651 6.522 1.00 90.43 C +ATOM 558 CZ PHE A 67 10.901 -14.720 7.403 1.00 89.68 C +ATOM 559 N THR A 68 6.927 -11.515 5.028 1.00 94.43 N +ATOM 560 CA THR A 68 7.222 -10.237 5.665 1.00 94.58 C +ATOM 561 C THR A 68 5.980 -9.675 6.351 1.00 94.64 C +ATOM 562 CB THR A 68 7.755 -9.214 4.645 1.00 93.66 C +ATOM 563 O THR A 68 6.040 -9.255 7.509 1.00 94.19 O +ATOM 564 CG2 THR A 68 9.153 -9.592 4.166 1.00 88.74 C +ATOM 565 OG1 THR A 68 6.872 -9.167 3.518 1.00 90.25 O +ATOM 566 N ASN A 69 4.800 -9.708 5.692 1.00 94.75 N +ATOM 567 CA ASN A 69 3.545 -9.278 6.299 1.00 95.09 C +ATOM 568 C ASN A 69 3.099 -10.235 7.400 1.00 94.84 C +ATOM 569 CB ASN A 69 2.453 -9.145 5.236 1.00 94.87 C +ATOM 570 O ASN A 69 2.606 -9.801 8.443 1.00 94.25 O +ATOM 571 CG ASN A 69 2.611 -7.897 4.389 1.00 94.02 C +ATOM 572 ND2 ASN A 69 2.926 -8.083 3.113 1.00 93.10 N +ATOM 573 OD1 ASN A 69 2.452 -6.776 4.878 1.00 92.15 O +ATOM 574 N GLY A 70 3.316 -11.565 7.274 1.00 95.78 N +ATOM 575 CA GLY A 70 3.111 -12.546 8.327 1.00 95.87 C +ATOM 576 C GLY A 70 3.919 -12.257 9.578 1.00 95.52 C +ATOM 577 O GLY A 70 3.393 -12.316 10.691 1.00 94.92 O +ATOM 578 N LEU A 71 5.185 -11.813 9.452 1.00 94.56 N +ATOM 579 CA LEU A 71 6.041 -11.407 10.561 1.00 94.58 C +ATOM 580 C LEU A 71 5.450 -10.207 11.293 1.00 94.58 C +ATOM 581 CB LEU A 71 7.448 -11.071 10.058 1.00 92.96 C +ATOM 582 O LEU A 71 5.463 -10.159 12.525 1.00 93.99 O +ATOM 583 CG LEU A 71 8.325 -12.258 9.655 1.00 85.27 C +ATOM 584 CD1 LEU A 71 9.663 -11.767 9.112 1.00 78.96 C +ATOM 585 CD2 LEU A 71 8.534 -13.195 10.840 1.00 78.86 C +ATOM 586 N VAL A 72 4.884 -9.268 10.571 1.00 93.36 N +ATOM 587 CA VAL A 72 4.238 -8.097 11.154 1.00 93.52 C +ATOM 588 C VAL A 72 3.023 -8.530 11.971 1.00 93.74 C +ATOM 589 CB VAL A 72 3.816 -7.082 10.068 1.00 92.65 C +ATOM 590 O VAL A 72 2.861 -8.115 13.121 1.00 93.35 O +ATOM 591 CG1 VAL A 72 2.963 -5.968 10.673 1.00 89.19 C +ATOM 592 CG2 VAL A 72 5.047 -6.501 9.374 1.00 89.15 C +ATOM 593 N LEU A 73 2.177 -9.438 11.458 1.00 95.67 N +ATOM 594 CA LEU A 73 0.984 -9.938 12.131 1.00 95.78 C +ATOM 595 C LEU A 73 1.354 -10.714 13.390 1.00 95.21 C +ATOM 596 CB LEU A 73 0.172 -10.831 11.188 1.00 95.67 C +ATOM 597 O LEU A 73 0.836 -10.432 14.473 1.00 94.45 O +ATOM 598 CG LEU A 73 -0.435 -10.147 9.962 1.00 95.10 C +ATOM 599 CD1 LEU A 73 -1.215 -11.155 9.125 1.00 93.88 C +ATOM 600 CD2 LEU A 73 -1.332 -8.988 10.385 1.00 93.54 C +ATOM 601 N VAL A 74 2.334 -11.629 13.328 1.00 95.01 N +ATOM 602 CA VAL A 74 2.777 -12.460 14.442 1.00 95.22 C +ATOM 603 C VAL A 74 3.435 -11.588 15.508 1.00 94.61 C +ATOM 604 CB VAL A 74 3.757 -13.560 13.975 1.00 94.98 C +ATOM 605 O VAL A 74 3.161 -11.742 16.701 1.00 93.90 O +ATOM 606 CG1 VAL A 74 4.355 -14.295 15.174 1.00 92.92 C +ATOM 607 CG2 VAL A 74 3.050 -14.541 13.041 1.00 92.15 C +ATOM 608 N ALA A 75 4.242 -10.600 15.124 1.00 93.82 N +ATOM 609 CA ALA A 75 4.890 -9.685 16.060 1.00 93.94 C +ATOM 610 C ALA A 75 3.860 -8.844 16.807 1.00 93.49 C +ATOM 611 CB ALA A 75 5.878 -8.783 15.325 1.00 93.15 C +ATOM 612 O ALA A 75 3.894 -8.757 18.037 1.00 92.67 O +ATOM 613 N THR A 76 2.858 -8.263 16.133 1.00 94.01 N +ATOM 614 CA THR A 76 1.835 -7.414 16.734 1.00 93.70 C +ATOM 615 C THR A 76 0.931 -8.227 17.656 1.00 92.88 C +ATOM 616 CB THR A 76 0.983 -6.719 15.656 1.00 92.96 C +ATOM 617 O THR A 76 0.552 -7.760 18.732 1.00 91.49 O +ATOM 618 CG2 THR A 76 -0.029 -5.766 16.285 1.00 87.86 C +ATOM 619 OG1 THR A 76 1.841 -5.977 14.781 1.00 89.68 O +ATOM 620 N ALA A 77 0.658 -9.537 17.321 1.00 94.38 N +ATOM 621 CA ALA A 77 -0.144 -10.438 18.144 1.00 94.34 C +ATOM 622 C ALA A 77 0.614 -10.853 19.402 1.00 93.62 C +ATOM 623 CB ALA A 77 -0.552 -11.671 17.342 1.00 93.59 C +ATOM 624 O ALA A 77 0.060 -10.834 20.503 1.00 92.83 O +ATOM 625 N LYS A 78 1.863 -11.088 19.282 1.00 94.30 N +ATOM 626 CA LYS A 78 2.694 -11.634 20.351 1.00 94.39 C +ATOM 627 C LYS A 78 3.088 -10.551 21.350 1.00 93.41 C +ATOM 628 CB LYS A 78 3.947 -12.294 19.772 1.00 93.78 C +ATOM 629 O LYS A 78 3.051 -10.774 22.562 1.00 92.32 O +ATOM 630 CG LYS A 78 4.834 -12.960 20.815 1.00 90.54 C +ATOM 631 CD LYS A 78 5.945 -13.774 20.165 1.00 86.76 C +ATOM 632 CE LYS A 78 6.837 -14.435 21.208 1.00 86.06 C +ATOM 633 NZ LYS A 78 7.889 -15.287 20.576 1.00 86.38 N +ATOM 634 N PHE A 79 3.403 -9.363 20.942 1.00 92.70 N +ATOM 635 CA PHE A 79 4.004 -8.345 21.795 1.00 93.17 C +ATOM 636 C PHE A 79 2.994 -7.254 22.131 1.00 92.45 C +ATOM 637 CB PHE A 79 5.234 -7.732 21.119 1.00 93.05 C +ATOM 638 O PHE A 79 2.675 -6.415 21.286 1.00 91.34 O +ATOM 639 CG PHE A 79 6.355 -8.710 20.896 1.00 93.27 C +ATOM 640 CD1 PHE A 79 7.178 -9.096 21.947 1.00 91.90 C +ATOM 641 CD2 PHE A 79 6.587 -9.244 19.635 1.00 91.97 C +ATOM 642 CE1 PHE A 79 8.218 -10.001 21.744 1.00 91.14 C +ATOM 643 CE2 PHE A 79 7.623 -10.149 19.425 1.00 90.96 C +ATOM 644 CZ PHE A 79 8.438 -10.525 20.480 1.00 90.75 C +ATOM 645 N LYS A 80 2.636 -7.124 23.446 1.00 92.88 N +ATOM 646 CA LYS A 80 1.650 -6.180 23.963 1.00 92.37 C +ATOM 647 C LYS A 80 2.071 -4.739 23.687 1.00 90.61 C +ATOM 648 CB LYS A 80 1.443 -6.387 25.464 1.00 90.24 C +ATOM 649 O LYS A 80 1.228 -3.880 23.420 1.00 88.62 O +ATOM 650 CG LYS A 80 0.678 -7.655 25.814 1.00 84.91 C +ATOM 651 CD LYS A 80 0.365 -7.726 27.303 1.00 83.16 C +ATOM 652 CE LYS A 80 -0.400 -8.995 27.655 1.00 80.98 C +ATOM 653 NZ LYS A 80 -0.692 -9.078 29.117 1.00 83.06 N +ATOM 654 N LYS A 81 3.338 -4.508 23.637 1.00 87.40 N +ATOM 655 CA LYS A 81 3.915 -3.188 23.401 1.00 87.03 C +ATOM 656 C LYS A 81 3.646 -2.718 21.975 1.00 87.45 C +ATOM 657 CB LYS A 81 5.421 -3.204 23.672 1.00 84.20 C +ATOM 658 O LYS A 81 3.709 -1.520 21.688 1.00 85.83 O +ATOM 659 CG LYS A 81 6.198 -4.167 22.787 1.00 75.30 C +ATOM 660 CD LYS A 81 7.687 -4.146 23.110 1.00 71.72 C +ATOM 661 CE LYS A 81 8.474 -5.063 22.184 1.00 64.88 C +ATOM 662 NZ LYS A 81 9.931 -5.064 22.514 1.00 60.75 N +ATOM 663 N LEU A 82 3.316 -3.617 21.038 1.00 88.53 N +ATOM 664 CA LEU A 82 2.972 -3.301 19.656 1.00 89.34 C +ATOM 665 C LEU A 82 1.465 -3.130 19.496 1.00 87.84 C +ATOM 666 CB LEU A 82 3.476 -4.397 18.714 1.00 88.22 C +ATOM 667 O LEU A 82 0.981 -2.850 18.398 1.00 85.16 O +ATOM 668 CG LEU A 82 4.992 -4.581 18.637 1.00 88.32 C +ATOM 669 CD1 LEU A 82 5.344 -5.664 17.623 1.00 85.49 C +ATOM 670 CD2 LEU A 82 5.673 -3.264 18.278 1.00 85.54 C +ATOM 671 N ARG A 83 0.697 -3.256 20.510 1.00 89.88 N +ATOM 672 CA ARG A 83 -0.744 -3.041 20.421 1.00 89.34 C +ATOM 673 C ARG A 83 -1.087 -1.563 20.570 1.00 86.52 C +ATOM 674 CB ARG A 83 -1.476 -3.859 21.487 1.00 87.61 C +ATOM 675 O ARG A 83 -2.027 -1.208 21.284 1.00 82.41 O +ATOM 676 CG ARG A 83 -1.311 -5.363 21.331 1.00 88.94 C +ATOM 677 CD ARG A 83 -2.185 -6.131 22.312 1.00 87.82 C +ATOM 678 NE ARG A 83 -2.005 -7.574 22.179 1.00 87.16 N +ATOM 679 NH1 ARG A 83 -3.438 -8.120 23.908 1.00 85.22 N +ATOM 680 NH2 ARG A 83 -2.369 -9.773 22.733 1.00 84.13 N +ATOM 681 CZ ARG A 83 -2.604 -8.486 22.940 1.00 84.00 C +ATOM 682 N HIS A 84 -0.364 -0.702 19.976 1.00 89.95 N +ATOM 683 CA HIS A 84 -0.601 0.726 19.800 1.00 89.92 C +ATOM 684 C HIS A 84 -1.522 0.990 18.614 1.00 91.07 C +ATOM 685 CB HIS A 84 0.723 1.470 19.612 1.00 87.93 C +ATOM 686 O HIS A 84 -1.475 0.270 17.614 1.00 90.65 O +ATOM 687 CG HIS A 84 0.586 2.959 19.657 1.00 81.17 C +ATOM 688 CD2 HIS A 84 0.628 3.824 20.698 1.00 76.22 C +ATOM 689 ND1 HIS A 84 0.374 3.721 18.529 1.00 74.18 N +ATOM 690 CE1 HIS A 84 0.293 4.995 18.875 1.00 74.09 C +ATOM 691 NE2 HIS A 84 0.444 5.085 20.185 1.00 73.68 N +ATOM 692 N PRO A 85 -2.350 2.061 18.553 1.00 88.73 N +ATOM 693 CA PRO A 85 -3.336 2.337 17.505 1.00 90.01 C +ATOM 694 C PRO A 85 -2.718 2.376 16.109 1.00 90.88 C +ATOM 695 CB PRO A 85 -3.890 3.709 17.896 1.00 88.33 C +ATOM 696 O PRO A 85 -3.257 1.778 15.175 1.00 90.87 O +ATOM 697 CG PRO A 85 -3.840 3.730 19.390 1.00 86.74 C +ATOM 698 CD PRO A 85 -2.585 3.034 19.834 1.00 87.20 C +ATOM 699 N LEU A 86 -1.515 2.920 15.984 1.00 87.99 N +ATOM 700 CA LEU A 86 -0.780 2.963 14.725 1.00 88.40 C +ATOM 701 C LEU A 86 -0.502 1.555 14.209 1.00 89.23 C +ATOM 702 CB LEU A 86 0.536 3.725 14.897 1.00 86.95 C +ATOM 703 O LEU A 86 -0.577 1.304 13.004 1.00 89.12 O +ATOM 704 CG LEU A 86 1.435 3.814 13.663 1.00 83.53 C +ATOM 705 CD1 LEU A 86 0.744 4.607 12.559 1.00 80.58 C +ATOM 706 CD2 LEU A 86 2.776 4.445 14.022 1.00 80.56 C +ATOM 707 N ASN A 87 -0.221 0.655 15.086 1.00 90.03 N +ATOM 708 CA ASN A 87 0.121 -0.709 14.696 1.00 90.77 C +ATOM 709 C ASN A 87 -1.108 -1.482 14.226 1.00 92.04 C +ATOM 710 CB ASN A 87 0.800 -1.444 15.853 1.00 89.20 C +ATOM 711 O ASN A 87 -0.996 -2.395 13.406 1.00 92.07 O +ATOM 712 CG ASN A 87 2.158 -0.863 16.196 1.00 85.44 C +ATOM 713 ND2 ASN A 87 2.625 -1.125 17.411 1.00 85.19 N +ATOM 714 OD1 ASN A 87 2.782 -0.184 15.376 1.00 84.37 O +ATOM 715 N TRP A 88 -2.320 -1.134 14.619 1.00 93.24 N +ATOM 716 CA TRP A 88 -3.543 -1.722 14.083 1.00 94.36 C +ATOM 717 C TRP A 88 -3.732 -1.346 12.617 1.00 94.41 C +ATOM 718 CB TRP A 88 -4.758 -1.274 14.899 1.00 93.51 C +ATOM 719 O TRP A 88 -4.164 -2.171 11.809 1.00 93.89 O +ATOM 720 CG TRP A 88 -4.850 -1.909 16.254 1.00 89.42 C +ATOM 721 CD1 TRP A 88 -4.770 -1.281 17.466 1.00 84.75 C +ATOM 722 CD2 TRP A 88 -5.035 -3.300 16.534 1.00 85.68 C +ATOM 723 CE2 TRP A 88 -5.058 -3.444 17.939 1.00 86.84 C +ATOM 724 CE3 TRP A 88 -5.184 -4.440 15.733 1.00 83.16 C +ATOM 725 NE1 TRP A 88 -4.895 -2.199 18.484 1.00 83.06 N +ATOM 726 CH2 TRP A 88 -5.369 -5.783 17.753 1.00 84.65 C +ATOM 727 CZ2 TRP A 88 -5.225 -4.684 18.560 1.00 84.35 C +ATOM 728 CZ3 TRP A 88 -5.350 -5.673 16.353 1.00 84.17 C +ATOM 729 N ILE A 89 -3.345 -0.159 12.217 1.00 93.22 N +ATOM 730 CA ILE A 89 -3.381 0.256 10.819 1.00 93.61 C +ATOM 731 C ILE A 89 -2.326 -0.511 10.025 1.00 93.54 C +ATOM 732 CB ILE A 89 -3.158 1.778 10.675 1.00 93.05 C +ATOM 733 O ILE A 89 -2.579 -0.938 8.896 1.00 92.99 O +ATOM 734 CG1 ILE A 89 -4.170 2.549 11.530 1.00 91.11 C +ATOM 735 CG2 ILE A 89 -3.248 2.201 9.205 1.00 90.89 C +ATOM 736 CD1 ILE A 89 -3.829 4.022 11.715 1.00 88.89 C +ATOM 737 N LEU A 90 -1.228 -0.819 10.639 1.00 92.35 N +ATOM 738 CA LEU A 90 -0.187 -1.629 10.017 1.00 92.41 C +ATOM 739 C LEU A 90 -0.641 -3.078 9.871 1.00 93.05 C +ATOM 740 CB LEU A 90 1.103 -1.567 10.839 1.00 90.10 C +ATOM 741 O LEU A 90 -0.332 -3.731 8.872 1.00 92.62 O +ATOM 742 CG LEU A 90 1.845 -0.230 10.836 1.00 81.42 C +ATOM 743 CD1 LEU A 90 2.950 -0.234 11.888 1.00 74.86 C +ATOM 744 CD2 LEU A 90 2.418 0.062 9.453 1.00 74.60 C +ATOM 745 N VAL A 91 -1.341 -3.607 10.857 1.00 94.76 N +ATOM 746 CA VAL A 91 -1.975 -4.918 10.767 1.00 95.18 C +ATOM 747 C VAL A 91 -2.982 -4.927 9.619 1.00 95.41 C +ATOM 748 CB VAL A 91 -2.673 -5.302 12.091 1.00 94.81 C +ATOM 749 O VAL A 91 -3.000 -5.856 8.808 1.00 95.33 O +ATOM 750 CG1 VAL A 91 -3.613 -6.488 11.881 1.00 93.77 C +ATOM 751 CG2 VAL A 91 -1.637 -5.622 13.167 1.00 93.63 C +ATOM 752 N ASN A 92 -3.762 -3.868 9.448 1.00 95.89 N +ATOM 753 CA ASN A 92 -4.701 -3.720 8.342 1.00 96.04 C +ATOM 754 C ASN A 92 -3.984 -3.716 6.995 1.00 95.95 C +ATOM 755 CB ASN A 92 -5.528 -2.443 8.507 1.00 95.67 C +ATOM 756 O ASN A 92 -4.380 -4.432 6.073 1.00 95.56 O +ATOM 757 CG ASN A 92 -6.546 -2.259 7.398 1.00 93.50 C +ATOM 758 ND2 ASN A 92 -6.343 -1.241 6.570 1.00 92.64 N +ATOM 759 OD1 ASN A 92 -7.507 -3.024 7.287 1.00 91.78 O +ATOM 760 N LEU A 93 -2.918 -2.982 6.882 1.00 93.42 N +ATOM 761 CA LEU A 93 -2.076 -2.939 5.691 1.00 93.45 C +ATOM 762 C LEU A 93 -1.510 -4.320 5.375 1.00 93.56 C +ATOM 763 CB LEU A 93 -0.933 -1.938 5.878 1.00 92.67 C +ATOM 764 O LEU A 93 -1.646 -4.809 4.251 1.00 93.05 O +ATOM 765 CG LEU A 93 0.068 -1.828 4.727 1.00 89.96 C +ATOM 766 CD1 LEU A 93 -0.642 -1.402 3.446 1.00 86.62 C +ATOM 767 CD2 LEU A 93 1.182 -0.848 5.078 1.00 86.53 C +ATOM 768 N ALA A 94 -1.023 -5.043 6.368 1.00 94.54 N +ATOM 769 CA ALA A 94 -0.451 -6.378 6.212 1.00 94.87 C +ATOM 770 C ALA A 94 -1.515 -7.383 5.780 1.00 94.78 C +ATOM 771 CB ALA A 94 0.206 -6.831 7.514 1.00 94.28 C +ATOM 772 O ALA A 94 -1.254 -8.250 4.942 1.00 94.38 O +ATOM 773 N VAL A 95 -2.744 -7.285 6.273 1.00 96.38 N +ATOM 774 CA VAL A 95 -3.868 -8.139 5.901 1.00 96.46 C +ATOM 775 C VAL A 95 -4.281 -7.849 4.459 1.00 96.16 C +ATOM 776 CB VAL A 95 -5.071 -7.941 6.850 1.00 96.25 C +ATOM 777 O VAL A 95 -4.478 -8.773 3.666 1.00 95.71 O +ATOM 778 CG1 VAL A 95 -6.314 -8.635 6.298 1.00 95.44 C +ATOM 779 CG2 VAL A 95 -4.739 -8.463 8.247 1.00 95.24 C +ATOM 780 N ALA A 96 -4.337 -6.597 4.066 1.00 95.04 N +ATOM 781 CA ALA A 96 -4.654 -6.194 2.698 1.00 94.91 C +ATOM 782 C ALA A 96 -3.598 -6.697 1.719 1.00 94.57 C +ATOM 783 CB ALA A 96 -4.780 -4.675 2.607 1.00 94.35 C +ATOM 784 O ALA A 96 -3.928 -7.303 0.697 1.00 93.79 O +ATOM 785 N ASP A 97 -2.342 -6.589 2.048 1.00 93.41 N +ATOM 786 CA ASP A 97 -1.210 -7.011 1.228 1.00 93.58 C +ATOM 787 C ASP A 97 -1.185 -8.529 1.066 1.00 93.30 C +ATOM 788 CB ASP A 97 0.106 -6.525 1.839 1.00 93.18 C +ATOM 789 O ASP A 97 -0.972 -9.038 -0.036 1.00 92.75 O +ATOM 790 CG ASP A 97 0.334 -5.036 1.647 1.00 91.73 C +ATOM 791 OD1 ASP A 97 -0.373 -4.411 0.828 1.00 90.14 O +ATOM 792 OD2 ASP A 97 1.232 -4.484 2.320 1.00 90.44 O +ATOM 793 N ILE A 98 -1.427 -9.324 2.131 1.00 95.44 N +ATOM 794 CA ILE A 98 -1.496 -10.779 2.058 1.00 95.46 C +ATOM 795 C ILE A 98 -2.694 -11.197 1.208 1.00 94.78 C +ATOM 796 CB ILE A 98 -1.591 -11.412 3.465 1.00 95.52 C +ATOM 797 O ILE A 98 -2.573 -12.058 0.334 1.00 94.05 O +ATOM 798 CG1 ILE A 98 -0.249 -11.290 4.196 1.00 95.78 C +ATOM 799 CG2 ILE A 98 -2.032 -12.875 3.370 1.00 95.69 C +ATOM 800 CD1 ILE A 98 -0.317 -11.639 5.676 1.00 94.94 C +ATOM 801 N ALA A 99 -3.850 -10.556 1.416 1.00 94.66 N +ATOM 802 CA ALA A 99 -5.053 -10.870 0.650 1.00 94.36 C +ATOM 803 C ALA A 99 -4.858 -10.559 -0.831 1.00 93.40 C +ATOM 804 CB ALA A 99 -6.250 -10.098 1.200 1.00 93.83 C +ATOM 805 O ALA A 99 -5.127 -11.403 -1.689 1.00 92.16 O +ATOM 806 N GLU A 100 -4.317 -9.396 -1.158 1.00 91.87 N +ATOM 807 CA GLU A 100 -3.980 -8.994 -2.520 1.00 91.39 C +ATOM 808 C GLU A 100 -3.042 -10.003 -3.177 1.00 90.51 C +ATOM 809 CB GLU A 100 -3.345 -7.602 -2.530 1.00 90.79 C +ATOM 810 O GLU A 100 -3.339 -10.525 -4.254 1.00 89.20 O +ATOM 811 CG GLU A 100 -3.021 -7.083 -3.923 1.00 88.54 C +ATOM 812 CD GLU A 100 -2.294 -5.747 -3.912 1.00 85.82 C +ATOM 813 OE1 GLU A 100 -2.238 -5.096 -2.845 1.00 85.41 O +ATOM 814 OE2 GLU A 100 -1.778 -5.349 -4.980 1.00 85.02 O +ATOM 815 N THR A 101 -1.966 -10.334 -2.537 1.00 92.70 N +ATOM 816 CA THR A 101 -0.911 -11.171 -3.099 1.00 92.06 C +ATOM 817 C THR A 101 -1.395 -12.607 -3.275 1.00 91.12 C +ATOM 818 CB THR A 101 0.347 -11.155 -2.212 1.00 90.71 C +ATOM 819 O THR A 101 -1.163 -13.223 -4.317 1.00 89.59 O +ATOM 820 CG2 THR A 101 1.472 -11.972 -2.838 1.00 81.60 C +ATOM 821 OG1 THR A 101 0.790 -9.803 -2.044 1.00 84.50 O +ATOM 822 N LEU A 102 -2.103 -13.175 -2.321 1.00 92.24 N +ATOM 823 CA LEU A 102 -2.570 -14.555 -2.387 1.00 91.75 C +ATOM 824 C LEU A 102 -3.649 -14.714 -3.453 1.00 90.13 C +ATOM 825 CB LEU A 102 -3.109 -15.004 -1.027 1.00 91.34 C +ATOM 826 O LEU A 102 -3.577 -15.622 -4.284 1.00 88.51 O +ATOM 827 CG LEU A 102 -2.069 -15.262 0.064 1.00 90.47 C +ATOM 828 CD1 LEU A 102 -2.755 -15.644 1.372 1.00 88.96 C +ATOM 829 CD2 LEU A 102 -1.095 -16.351 -0.372 1.00 88.55 C +ATOM 830 N ILE A 103 -4.627 -13.821 -3.468 1.00 89.09 N +ATOM 831 CA ILE A 103 -5.731 -13.929 -4.416 1.00 88.33 C +ATOM 832 C ILE A 103 -5.228 -13.639 -5.828 1.00 87.39 C +ATOM 833 CB ILE A 103 -6.885 -12.970 -4.050 1.00 87.63 C +ATOM 834 O ILE A 103 -5.418 -14.448 -6.740 1.00 85.54 O +ATOM 835 CG1 ILE A 103 -7.541 -13.401 -2.732 1.00 86.00 C +ATOM 836 CG2 ILE A 103 -7.916 -12.910 -5.180 1.00 85.46 C +ATOM 837 CD1 ILE A 103 -8.479 -12.360 -2.138 1.00 83.81 C +ATOM 838 N ALA A 104 -4.500 -12.528 -6.063 1.00 84.89 N +ATOM 839 CA ALA A 104 -3.962 -12.150 -7.367 1.00 84.14 C +ATOM 840 C ALA A 104 -3.041 -13.237 -7.915 1.00 83.80 C +ATOM 841 CB ALA A 104 -3.214 -10.823 -7.270 1.00 82.73 C +ATOM 842 O ALA A 104 -3.136 -13.606 -9.088 1.00 81.90 O +ATOM 843 N SER A 105 -2.162 -13.781 -7.093 1.00 85.19 N +ATOM 844 CA SER A 105 -1.188 -14.770 -7.542 1.00 84.85 C +ATOM 845 C SER A 105 -1.849 -16.122 -7.794 1.00 84.38 C +ATOM 846 CB SER A 105 -0.068 -14.925 -6.514 1.00 83.42 C +ATOM 847 O SER A 105 -1.541 -16.796 -8.779 1.00 82.78 O +ATOM 848 OG SER A 105 0.573 -13.683 -6.277 1.00 78.32 O +ATOM 849 N THR A 106 -2.782 -16.569 -6.915 1.00 85.01 N +ATOM 850 CA THR A 106 -3.507 -17.820 -7.109 1.00 84.70 C +ATOM 851 C THR A 106 -4.281 -17.797 -8.424 1.00 83.94 C +ATOM 852 CB THR A 106 -4.477 -18.090 -5.944 1.00 83.78 C +ATOM 853 O THR A 106 -4.132 -18.697 -9.254 1.00 82.26 O +ATOM 854 CG2 THR A 106 -5.225 -19.404 -6.145 1.00 82.16 C +ATOM 855 OG1 THR A 106 -3.737 -18.157 -4.719 1.00 84.57 O +ATOM 856 N ILE A 107 -4.927 -16.740 -8.680 1.00 82.64 N +ATOM 857 CA ILE A 107 -5.748 -16.633 -9.881 1.00 82.08 C +ATOM 858 C ILE A 107 -4.852 -16.451 -11.104 1.00 81.80 C +ATOM 859 CB ILE A 107 -6.755 -15.466 -9.775 1.00 81.16 C +ATOM 860 O ILE A 107 -5.045 -17.113 -12.126 1.00 80.12 O +ATOM 861 CG1 ILE A 107 -7.802 -15.760 -8.694 1.00 80.17 C +ATOM 862 CG2 ILE A 107 -7.424 -15.205 -11.128 1.00 79.89 C +ATOM 863 CD1 ILE A 107 -8.709 -14.579 -8.374 1.00 77.98 C +ATOM 864 N SER A 108 -3.782 -15.651 -11.029 1.00 79.79 N +ATOM 865 CA SER A 108 -2.810 -15.479 -12.104 1.00 79.29 C +ATOM 866 C SER A 108 -2.150 -16.805 -12.469 1.00 79.50 C +ATOM 867 CB SER A 108 -1.741 -14.462 -11.703 1.00 78.15 C +ATOM 868 O SER A 108 -2.034 -17.142 -13.649 1.00 78.12 O +ATOM 869 OG SER A 108 -2.304 -13.169 -11.564 1.00 73.37 O +ATOM 870 N VAL A 109 -1.785 -17.629 -11.515 1.00 79.75 N +ATOM 871 CA VAL A 109 -1.171 -18.936 -11.724 1.00 79.63 C +ATOM 872 C VAL A 109 -2.193 -19.896 -12.330 1.00 79.73 C +ATOM 873 CB VAL A 109 -0.610 -19.517 -10.407 1.00 78.55 C +ATOM 874 O VAL A 109 -1.897 -20.593 -13.304 1.00 78.97 O +ATOM 875 CG1 VAL A 109 -0.239 -20.988 -10.581 1.00 78.63 C +ATOM 876 CG2 VAL A 109 0.600 -18.709 -9.941 1.00 78.60 C +ATOM 877 N VAL A 110 -3.367 -19.925 -11.809 1.00 80.40 N +ATOM 878 CA VAL A 110 -4.434 -20.771 -12.331 1.00 80.01 C +ATOM 879 C VAL A 110 -4.728 -20.397 -13.783 1.00 79.67 C +ATOM 880 CB VAL A 110 -5.719 -20.654 -11.481 1.00 78.75 C +ATOM 881 O VAL A 110 -4.773 -21.266 -14.657 1.00 77.97 O +ATOM 882 CG1 VAL A 110 -6.897 -21.323 -12.187 1.00 77.37 C +ATOM 883 CG2 VAL A 110 -5.501 -21.268 -10.099 1.00 76.65 C +ATOM 884 N ASN A 111 -4.836 -19.082 -14.094 1.00 77.34 N +ATOM 885 CA ASN A 111 -5.066 -18.573 -15.442 1.00 76.78 C +ATOM 886 C ASN A 111 -3.921 -18.940 -16.383 1.00 76.89 C +ATOM 887 CB ASN A 111 -5.266 -17.057 -15.417 1.00 75.45 C +ATOM 888 O ASN A 111 -4.152 -19.288 -17.542 1.00 75.15 O +ATOM 889 CG ASN A 111 -6.659 -16.659 -14.970 1.00 72.20 C +ATOM 890 ND2 ASN A 111 -6.804 -15.421 -14.511 1.00 69.42 N +ATOM 891 OD1 ASN A 111 -7.597 -17.458 -15.035 1.00 70.71 O +ATOM 892 N GLN A 112 -2.671 -18.988 -15.920 1.00 75.50 N +ATOM 893 CA GLN A 112 -1.497 -19.354 -16.705 1.00 75.11 C +ATOM 894 C GLN A 112 -1.468 -20.854 -16.986 1.00 75.29 C +ATOM 895 CB GLN A 112 -0.215 -18.931 -15.985 1.00 73.57 C +ATOM 896 O GLN A 112 -1.063 -21.281 -18.069 1.00 73.87 O +ATOM 897 CG GLN A 112 0.089 -17.443 -16.095 1.00 70.42 C +ATOM 898 CD GLN A 112 1.332 -17.039 -15.325 1.00 68.24 C +ATOM 899 NE2 GLN A 112 1.386 -15.780 -14.904 1.00 63.24 N +ATOM 900 OE1 GLN A 112 2.236 -17.853 -15.108 1.00 66.21 O +ATOM 901 N ILE A 113 -1.880 -21.750 -15.986 1.00 75.63 N +ATOM 902 CA ILE A 113 -1.822 -23.205 -16.078 1.00 75.39 C +ATOM 903 C ILE A 113 -2.960 -23.712 -16.961 1.00 75.24 C +ATOM 904 CB ILE A 113 -1.894 -23.862 -14.681 1.00 73.91 C +ATOM 905 O ILE A 113 -2.744 -24.542 -17.847 1.00 74.15 O +ATOM 906 CG1 ILE A 113 -0.597 -23.608 -13.904 1.00 75.93 C +ATOM 907 CG2 ILE A 113 -2.174 -25.363 -14.804 1.00 75.31 C +ATOM 908 CD1 ILE A 113 -0.675 -23.981 -12.430 1.00 73.31 C +ATOM 909 N TYR A 114 -4.113 -23.216 -16.766 1.00 75.53 N +ATOM 910 CA TYR A 114 -5.301 -23.817 -17.363 1.00 74.80 C +ATOM 911 C TYR A 114 -5.761 -23.022 -18.580 1.00 73.96 C +ATOM 912 CB TYR A 114 -6.434 -23.902 -16.337 1.00 72.82 C +ATOM 913 O TYR A 114 -6.640 -23.465 -19.323 1.00 71.09 O +ATOM 914 CG TYR A 114 -6.164 -24.873 -15.213 1.00 72.66 C +ATOM 915 CD1 TYR A 114 -6.178 -26.248 -15.436 1.00 73.14 C +ATOM 916 CD2 TYR A 114 -5.894 -24.418 -13.927 1.00 73.75 C +ATOM 917 CE1 TYR A 114 -5.931 -27.146 -14.403 1.00 71.80 C +ATOM 918 CE2 TYR A 114 -5.646 -25.307 -12.887 1.00 70.40 C +ATOM 919 OH TYR A 114 -5.421 -27.552 -12.108 1.00 67.09 O +ATOM 920 CZ TYR A 114 -5.666 -26.667 -13.134 1.00 68.41 C +ATOM 921 N GLY A 115 -4.967 -21.992 -18.874 1.00 69.00 N +ATOM 922 CA GLY A 115 -5.522 -21.040 -19.824 1.00 67.40 C +ATOM 923 C GLY A 115 -6.804 -20.390 -19.338 1.00 67.66 C +ATOM 924 O GLY A 115 -7.497 -20.939 -18.479 1.00 64.19 O +ATOM 925 N TYR A 116 -7.140 -19.158 -19.655 1.00 64.16 N +ATOM 926 CA TYR A 116 -8.206 -18.275 -19.194 1.00 62.92 C +ATOM 927 C TYR A 116 -9.560 -18.972 -19.264 1.00 65.06 C +ATOM 928 CB TYR A 116 -8.237 -16.989 -20.026 1.00 58.39 C +ATOM 929 O TYR A 116 -10.461 -18.671 -18.478 1.00 61.76 O +ATOM 930 CG TYR A 116 -7.366 -15.888 -19.474 1.00 55.16 C +ATOM 931 CD1 TYR A 116 -7.825 -15.053 -18.458 1.00 52.27 C +ATOM 932 CD2 TYR A 116 -6.082 -15.678 -19.967 1.00 53.64 C +ATOM 933 CE1 TYR A 116 -7.027 -14.035 -17.947 1.00 49.05 C +ATOM 934 CE2 TYR A 116 -5.275 -14.664 -19.464 1.00 48.82 C +ATOM 935 OH TYR A 116 -4.960 -12.843 -17.953 1.00 41.22 O +ATOM 936 CZ TYR A 116 -5.755 -13.849 -18.455 1.00 52.66 C +ATOM 937 N PHE A 117 -9.688 -19.789 -20.167 1.00 55.73 N +ATOM 938 CA PHE A 117 -10.986 -20.302 -20.589 1.00 56.52 C +ATOM 939 C PHE A 117 -11.661 -21.066 -19.455 1.00 56.48 C +ATOM 940 CB PHE A 117 -10.836 -21.207 -21.816 1.00 48.84 C +ATOM 941 O PHE A 117 -12.889 -21.156 -19.405 1.00 53.28 O +ATOM 942 CG PHE A 117 -10.743 -20.455 -23.116 1.00 44.56 C +ATOM 943 CD1 PHE A 117 -11.888 -19.983 -23.746 1.00 36.87 C +ATOM 944 CD2 PHE A 117 -9.509 -20.221 -23.709 1.00 39.50 C +ATOM 945 CE1 PHE A 117 -11.804 -19.287 -24.950 1.00 36.91 C +ATOM 946 CE2 PHE A 117 -9.417 -19.526 -24.912 1.00 41.58 C +ATOM 947 CZ PHE A 117 -10.566 -19.061 -25.531 1.00 34.46 C +ATOM 948 N ILE A 118 -10.895 -21.566 -18.470 1.00 60.31 N +ATOM 949 CA ILE A 118 -11.544 -22.515 -17.573 1.00 60.28 C +ATOM 950 C ILE A 118 -12.245 -21.763 -16.443 1.00 60.28 C +ATOM 951 CB ILE A 118 -10.532 -23.529 -16.994 1.00 54.82 C +ATOM 952 O ILE A 118 -13.350 -22.129 -16.037 1.00 57.62 O +ATOM 953 CG1 ILE A 118 -9.964 -24.413 -18.110 1.00 45.86 C +ATOM 954 CG2 ILE A 118 -11.185 -24.380 -15.901 1.00 47.30 C +ATOM 955 CD1 ILE A 118 -8.880 -25.376 -17.646 1.00 46.42 C +ATOM 956 N LEU A 119 -11.664 -20.687 -15.961 1.00 65.51 N +ATOM 957 CA LEU A 119 -12.290 -20.134 -14.764 1.00 64.60 C +ATOM 958 C LEU A 119 -13.266 -19.020 -15.127 1.00 65.45 C +ATOM 959 CB LEU A 119 -11.226 -19.602 -13.800 1.00 60.88 C +ATOM 960 O LEU A 119 -14.098 -18.626 -14.307 1.00 61.93 O +ATOM 961 CG LEU A 119 -10.359 -20.651 -13.102 1.00 58.41 C +ATOM 962 CD1 LEU A 119 -9.219 -19.977 -12.345 1.00 56.21 C +ATOM 963 CD2 LEU A 119 -11.203 -21.503 -12.161 1.00 58.17 C +ATOM 964 N GLY A 120 -13.306 -18.589 -16.406 1.00 70.83 N +ATOM 965 CA GLY A 120 -14.291 -17.701 -17.004 1.00 70.40 C +ATOM 966 C GLY A 120 -14.257 -16.298 -16.427 1.00 71.65 C +ATOM 967 O GLY A 120 -13.470 -16.012 -15.522 1.00 68.70 O +ATOM 968 N HIS A 121 -15.135 -15.380 -16.845 1.00 72.65 N +ATOM 969 CA HIS A 121 -15.293 -13.951 -16.601 1.00 72.79 C +ATOM 970 C HIS A 121 -15.529 -13.667 -15.122 1.00 74.73 C +ATOM 971 CB HIS A 121 -16.446 -13.389 -17.434 1.00 70.22 C +ATOM 972 O HIS A 121 -14.967 -12.718 -14.570 1.00 74.01 O +ATOM 973 CG HIS A 121 -16.599 -11.905 -17.323 1.00 66.46 C +ATOM 974 CD2 HIS A 121 -16.079 -10.900 -18.067 1.00 63.53 C +ATOM 975 ND1 HIS A 121 -17.365 -11.307 -16.347 1.00 61.76 N +ATOM 976 CE1 HIS A 121 -17.311 -9.994 -16.496 1.00 57.98 C +ATOM 977 NE2 HIS A 121 -16.537 -9.721 -17.532 1.00 53.46 N +ATOM 978 N PRO A 122 -16.152 -14.604 -14.271 1.00 76.19 N +ATOM 979 CA PRO A 122 -16.450 -14.270 -12.876 1.00 76.38 C +ATOM 980 C PRO A 122 -15.204 -14.251 -11.994 1.00 77.37 C +ATOM 981 CB PRO A 122 -17.409 -15.383 -12.444 1.00 74.87 C +ATOM 982 O PRO A 122 -15.051 -13.361 -11.154 1.00 77.15 O +ATOM 983 CG PRO A 122 -18.098 -15.802 -13.702 1.00 73.34 C +ATOM 984 CD PRO A 122 -17.112 -15.733 -14.833 1.00 73.56 C +ATOM 985 N LEU A 123 -14.227 -15.120 -12.122 1.00 79.29 N +ATOM 986 CA LEU A 123 -13.019 -15.140 -11.305 1.00 79.20 C +ATOM 987 C LEU A 123 -12.104 -13.972 -11.660 1.00 79.49 C +ATOM 988 CB LEU A 123 -12.270 -16.463 -11.487 1.00 77.64 C +ATOM 989 O LEU A 123 -11.434 -13.416 -10.787 1.00 78.36 O +ATOM 990 CG LEU A 123 -12.906 -17.696 -10.842 1.00 74.66 C +ATOM 991 CD1 LEU A 123 -12.072 -18.938 -11.137 1.00 72.19 C +ATOM 992 CD2 LEU A 123 -13.061 -17.493 -9.339 1.00 72.37 C +ATOM 993 N CYS A 124 -12.182 -13.559 -12.909 1.00 78.20 N +ATOM 994 CA CYS A 124 -11.454 -12.370 -13.338 1.00 78.40 C +ATOM 995 C CYS A 124 -12.016 -11.118 -12.675 1.00 79.05 C +ATOM 996 CB CYS A 124 -11.513 -12.223 -14.858 1.00 76.51 C +ATOM 997 O CYS A 124 -11.260 -10.255 -12.225 1.00 78.01 O +ATOM 998 SG CYS A 124 -10.475 -10.893 -15.502 1.00 73.63 S +ATOM 999 N ILE A 125 -13.270 -11.072 -12.595 1.00 79.07 N +ATOM 1000 CA ILE A 125 -13.944 -9.981 -11.900 1.00 79.69 C +ATOM 1001 C ILE A 125 -13.594 -10.022 -10.414 1.00 80.70 C +ATOM 1002 CB ILE A 125 -15.476 -10.050 -12.092 1.00 78.20 C +ATOM 1003 O ILE A 125 -13.226 -9.001 -9.829 1.00 80.91 O +ATOM 1004 CG1 ILE A 125 -15.844 -9.766 -13.553 1.00 76.57 C +ATOM 1005 CG2 ILE A 125 -16.182 -9.072 -11.149 1.00 76.46 C +ATOM 1006 CD1 ILE A 125 -17.308 -10.024 -13.883 1.00 74.09 C +ATOM 1007 N ILE A 126 -13.630 -11.196 -9.841 1.00 82.14 N +ATOM 1008 CA ILE A 126 -13.318 -11.372 -8.427 1.00 82.59 C +ATOM 1009 C ILE A 126 -11.856 -11.011 -8.172 1.00 83.01 C +ATOM 1010 CB ILE A 126 -13.603 -12.817 -7.960 1.00 81.47 C +ATOM 1011 O ILE A 126 -11.545 -10.285 -7.225 1.00 82.80 O +ATOM 1012 CG1 ILE A 126 -15.113 -13.078 -7.922 1.00 81.73 C +ATOM 1013 CG2 ILE A 126 -12.966 -13.078 -6.592 1.00 81.27 C +ATOM 1014 CD1 ILE A 126 -15.484 -14.550 -7.807 1.00 79.60 C +ATOM 1015 N GLU A 127 -10.909 -11.410 -9.008 1.00 82.95 N +ATOM 1016 CA GLU A 127 -9.500 -11.040 -8.915 1.00 82.83 C +ATOM 1017 C GLU A 127 -9.320 -9.527 -9.011 1.00 83.07 C +ATOM 1018 CB GLU A 127 -8.688 -11.737 -10.009 1.00 81.76 C +ATOM 1019 O GLU A 127 -8.793 -8.900 -8.090 1.00 82.07 O +ATOM 1020 CG GLU A 127 -7.193 -11.460 -9.936 1.00 79.61 C +ATOM 1021 CD GLU A 127 -6.429 -11.969 -11.148 1.00 78.19 C +ATOM 1022 OE1 GLU A 127 -7.053 -12.573 -12.050 1.00 76.39 O +ATOM 1023 OE2 GLU A 127 -5.196 -11.763 -11.196 1.00 73.62 O +ATOM 1024 N GLY A 128 -9.786 -8.952 -10.114 1.00 82.14 N +ATOM 1025 CA GLY A 128 -9.641 -7.524 -10.344 1.00 82.36 C +ATOM 1026 C GLY A 128 -10.230 -6.677 -9.231 1.00 83.24 C +ATOM 1027 O GLY A 128 -9.591 -5.737 -8.755 1.00 82.99 O +ATOM 1028 N TYR A 129 -11.372 -7.090 -8.786 1.00 85.38 N +ATOM 1029 CA TYR A 129 -12.032 -6.424 -7.668 1.00 86.38 C +ATOM 1030 C TYR A 129 -11.208 -6.551 -6.393 1.00 87.25 C +ATOM 1031 CB TYR A 129 -13.432 -7.006 -7.446 1.00 84.92 C +ATOM 1032 O TYR A 129 -10.935 -5.554 -5.720 1.00 87.30 O +ATOM 1033 CG TYR A 129 -14.176 -6.372 -6.296 1.00 80.94 C +ATOM 1034 CD1 TYR A 129 -14.938 -5.221 -6.484 1.00 77.62 C +ATOM 1035 CD2 TYR A 129 -14.119 -6.922 -5.020 1.00 78.26 C +ATOM 1036 CE1 TYR A 129 -15.625 -4.633 -5.427 1.00 76.89 C +ATOM 1037 CE2 TYR A 129 -14.802 -6.342 -3.956 1.00 77.59 C +ATOM 1038 OH TYR A 129 -16.229 -4.621 -3.119 1.00 68.94 O +ATOM 1039 CZ TYR A 129 -15.551 -5.200 -4.169 1.00 73.74 C +ATOM 1040 N THR A 130 -10.799 -7.704 -6.022 1.00 87.22 N +ATOM 1041 CA THR A 130 -10.076 -7.945 -4.779 1.00 87.55 C +ATOM 1042 C THR A 130 -8.712 -7.261 -4.806 1.00 87.80 C +ATOM 1043 CB THR A 130 -9.893 -9.452 -4.521 1.00 85.98 C +ATOM 1044 O THR A 130 -8.335 -6.578 -3.851 1.00 87.35 O +ATOM 1045 CG2 THR A 130 -9.215 -9.702 -3.179 1.00 80.14 C +ATOM 1046 OG1 THR A 130 -11.176 -10.090 -4.522 1.00 82.61 O +ATOM 1047 N VAL A 131 -7.983 -7.290 -5.903 1.00 86.43 N +ATOM 1048 CA VAL A 131 -6.679 -6.657 -6.074 1.00 86.32 C +ATOM 1049 C VAL A 131 -6.824 -5.140 -5.977 1.00 86.52 C +ATOM 1050 CB VAL A 131 -6.031 -7.046 -7.422 1.00 85.16 C +ATOM 1051 O VAL A 131 -6.083 -4.486 -5.240 1.00 85.77 O +ATOM 1052 CG1 VAL A 131 -4.804 -6.181 -7.701 1.00 81.78 C +ATOM 1053 CG2 VAL A 131 -5.657 -8.527 -7.425 1.00 81.56 C +ATOM 1054 N ALA A 132 -7.821 -4.600 -6.611 1.00 87.15 N +ATOM 1055 CA ALA A 132 -8.059 -3.160 -6.570 1.00 87.64 C +ATOM 1056 C ALA A 132 -8.492 -2.715 -5.176 1.00 88.85 C +ATOM 1057 CB ALA A 132 -9.113 -2.766 -7.602 1.00 86.26 C +ATOM 1058 O ALA A 132 -7.938 -1.763 -4.622 1.00 88.88 O +ATOM 1059 N ALA A 133 -9.424 -3.453 -4.563 1.00 90.91 N +ATOM 1060 CA ALA A 133 -9.935 -3.110 -3.238 1.00 91.83 C +ATOM 1061 C ALA A 133 -8.830 -3.187 -2.188 1.00 92.46 C +ATOM 1062 CB ALA A 133 -11.091 -4.033 -2.858 1.00 91.01 C +ATOM 1063 O ALA A 133 -8.648 -2.255 -1.400 1.00 92.53 O +ATOM 1064 N CYS A 134 -8.016 -4.235 -2.188 1.00 92.26 N +ATOM 1065 CA CYS A 134 -6.904 -4.417 -1.262 1.00 92.66 C +ATOM 1066 C CYS A 134 -5.807 -3.390 -1.518 1.00 92.21 C +ATOM 1067 CB CYS A 134 -6.331 -5.829 -1.383 1.00 91.96 C +ATOM 1068 O CYS A 134 -5.300 -2.771 -0.581 1.00 91.35 O +ATOM 1069 SG CYS A 134 -7.441 -7.119 -0.780 1.00 94.09 S +ATOM 1070 N GLY A 135 -5.458 -3.109 -2.799 1.00 89.63 N +ATOM 1071 CA GLY A 135 -4.489 -2.086 -3.158 1.00 89.86 C +ATOM 1072 C GLY A 135 -4.905 -0.693 -2.725 1.00 90.12 C +ATOM 1073 O GLY A 135 -4.112 0.041 -2.132 1.00 89.67 O +ATOM 1074 N ILE A 136 -6.169 -0.328 -2.898 1.00 90.62 N +ATOM 1075 CA ILE A 136 -6.730 0.948 -2.468 1.00 91.49 C +ATOM 1076 C ILE A 136 -6.764 1.009 -0.943 1.00 92.28 C +ATOM 1077 CB ILE A 136 -8.146 1.166 -3.046 1.00 90.93 C +ATOM 1078 O ILE A 136 -6.362 2.011 -0.346 1.00 92.36 O +ATOM 1079 CG1 ILE A 136 -8.078 1.376 -4.563 1.00 89.64 C +ATOM 1080 CG2 ILE A 136 -8.833 2.350 -2.359 1.00 89.24 C +ATOM 1081 CD1 ILE A 136 -9.432 1.321 -5.256 1.00 87.50 C +ATOM 1082 N ALA A 137 -7.164 -0.073 -0.292 1.00 93.90 N +ATOM 1083 CA ALA A 137 -7.167 -0.147 1.167 1.00 94.36 C +ATOM 1084 C ALA A 137 -5.756 0.006 1.726 1.00 94.10 C +ATOM 1085 CB ALA A 137 -7.781 -1.465 1.632 1.00 93.77 C +ATOM 1086 O ALA A 137 -5.541 0.740 2.694 1.00 93.64 O +ATOM 1087 N GLY A 138 -4.782 -0.616 1.126 1.00 91.59 N +ATOM 1088 CA GLY A 138 -3.381 -0.453 1.482 1.00 91.43 C +ATOM 1089 C GLY A 138 -2.892 0.976 1.343 1.00 90.96 C +ATOM 1090 O GLY A 138 -2.303 1.529 2.273 1.00 89.95 O +ATOM 1091 N LEU A 139 -3.271 1.626 0.285 1.00 90.57 N +ATOM 1092 CA LEU A 139 -2.846 2.995 0.013 1.00 90.67 C +ATOM 1093 C LEU A 139 -3.480 3.968 1.002 1.00 91.43 C +ATOM 1094 CB LEU A 139 -3.211 3.395 -1.419 1.00 88.43 C +ATOM 1095 O LEU A 139 -2.794 4.827 1.560 1.00 91.00 O +ATOM 1096 CG LEU A 139 -2.799 4.802 -1.856 1.00 79.92 C +ATOM 1097 CD1 LEU A 139 -1.294 4.988 -1.691 1.00 73.35 C +ATOM 1098 CD2 LEU A 139 -3.219 5.059 -3.299 1.00 73.39 C +ATOM 1099 N TRP A 140 -4.685 3.813 1.244 1.00 92.87 N +ATOM 1100 CA TRP A 140 -5.381 4.671 2.197 1.00 93.89 C +ATOM 1101 C TRP A 140 -4.945 4.363 3.626 1.00 93.23 C +ATOM 1102 CB TRP A 140 -6.898 4.502 2.066 1.00 93.59 C +ATOM 1103 O TRP A 140 -4.912 5.255 4.477 1.00 92.13 O +ATOM 1104 CG TRP A 140 -7.513 5.344 0.989 1.00 92.95 C +ATOM 1105 CD1 TRP A 140 -7.903 4.934 -0.256 1.00 90.61 C +ATOM 1106 CD2 TRP A 140 -7.804 6.743 1.061 1.00 91.04 C +ATOM 1107 CE2 TRP A 140 -8.372 7.116 -0.178 1.00 91.82 C +ATOM 1108 CE3 TRP A 140 -7.642 7.718 2.054 1.00 89.79 C +ATOM 1109 NE1 TRP A 140 -8.421 5.995 -0.962 1.00 89.03 N +ATOM 1110 CH2 TRP A 140 -8.607 9.359 0.539 1.00 88.49 C +ATOM 1111 CZ2 TRP A 140 -8.777 8.425 -0.450 1.00 88.84 C +ATOM 1112 CZ3 TRP A 140 -8.046 9.020 1.781 1.00 88.95 C +ATOM 1113 N SER A 141 -4.488 3.139 3.958 1.00 93.14 N +ATOM 1114 CA SER A 141 -3.846 2.821 5.230 1.00 93.28 C +ATOM 1115 C SER A 141 -2.557 3.616 5.413 1.00 92.30 C +ATOM 1116 CB SER A 141 -3.548 1.324 5.321 1.00 93.18 C +ATOM 1117 O SER A 141 -2.334 4.212 6.468 1.00 91.29 O +ATOM 1118 OG SER A 141 -4.749 0.571 5.311 1.00 93.31 O +ATOM 1119 N LEU A 142 -1.773 3.751 4.405 1.00 89.74 N +ATOM 1120 CA LEU A 142 -0.560 4.560 4.436 1.00 89.62 C +ATOM 1121 C LEU A 142 -0.896 6.037 4.611 1.00 89.43 C +ATOM 1122 CB LEU A 142 0.252 4.359 3.154 1.00 88.60 C +ATOM 1123 O LEU A 142 -0.184 6.762 5.310 1.00 88.67 O +ATOM 1124 CG LEU A 142 0.901 2.986 2.971 1.00 85.76 C +ATOM 1125 CD1 LEU A 142 1.514 2.871 1.579 1.00 82.75 C +ATOM 1126 CD2 LEU A 142 1.954 2.744 4.046 1.00 82.70 C +ATOM 1127 N THR A 143 -1.985 6.524 4.029 1.00 91.60 N +ATOM 1128 CA THR A 143 -2.484 7.884 4.200 1.00 91.91 C +ATOM 1129 C THR A 143 -2.874 8.138 5.654 1.00 91.80 C +ATOM 1130 CB THR A 143 -3.694 8.154 3.287 1.00 91.41 C +ATOM 1131 O THR A 143 -2.479 9.148 6.240 1.00 91.28 O +ATOM 1132 CG2 THR A 143 -4.148 9.606 3.391 1.00 88.71 C +ATOM 1133 OG1 THR A 143 -3.332 7.874 1.929 1.00 90.52 O +ATOM 1134 N VAL A 144 -3.539 7.199 6.304 1.00 92.71 N +ATOM 1135 CA VAL A 144 -3.953 7.299 7.700 1.00 92.82 C +ATOM 1136 C VAL A 144 -2.724 7.274 8.606 1.00 91.81 C +ATOM 1137 CB VAL A 144 -4.924 6.161 8.087 1.00 92.63 C +ATOM 1138 O VAL A 144 -2.639 8.040 9.569 1.00 90.68 O +ATOM 1139 CG1 VAL A 144 -5.260 6.222 9.577 1.00 91.47 C +ATOM 1140 CG2 VAL A 144 -6.197 6.237 7.246 1.00 90.93 C +ATOM 1141 N ILE A 145 -1.696 6.463 8.290 1.00 89.48 N +ATOM 1142 CA ILE A 145 -0.423 6.437 9.002 1.00 89.20 C +ATOM 1143 C ILE A 145 0.259 7.799 8.888 1.00 88.45 C +ATOM 1144 CB ILE A 145 0.505 5.326 8.462 1.00 88.62 C +ATOM 1145 O ILE A 145 0.725 8.352 9.887 1.00 87.28 O +ATOM 1146 CG1 ILE A 145 -0.032 3.945 8.855 1.00 87.07 C +ATOM 1147 CG2 ILE A 145 1.936 5.523 8.971 1.00 86.62 C +ATOM 1148 CD1 ILE A 145 0.597 2.794 8.082 1.00 85.50 C +ATOM 1149 N SER A 146 0.290 8.387 7.722 1.00 89.06 N +ATOM 1150 CA SER A 146 0.904 9.686 7.466 1.00 89.24 C +ATOM 1151 C SER A 146 0.170 10.800 8.205 1.00 89.01 C +ATOM 1152 CB SER A 146 0.924 9.984 5.967 1.00 88.61 C +ATOM 1153 O SER A 146 0.799 11.677 8.801 1.00 88.30 O +ATOM 1154 OG SER A 146 1.625 8.974 5.262 1.00 87.24 O +ATOM 1155 N TRP A 147 -1.150 10.742 8.234 1.00 90.52 N +ATOM 1156 CA TRP A 147 -2.015 11.675 8.948 1.00 91.16 C +ATOM 1157 C TRP A 147 -1.807 11.565 10.455 1.00 90.04 C +ATOM 1158 CB TRP A 147 -3.484 11.418 8.603 1.00 89.07 C +ATOM 1159 O TRP A 147 -1.659 12.578 11.143 1.00 88.17 O +ATOM 1160 CG TRP A 147 -4.438 12.377 9.250 1.00 79.21 C +ATOM 1161 CD1 TRP A 147 -5.173 12.169 10.384 1.00 71.38 C +ATOM 1162 CD2 TRP A 147 -4.764 13.694 8.796 1.00 73.05 C +ATOM 1163 CE2 TRP A 147 -5.704 14.229 9.706 1.00 73.85 C +ATOM 1164 CE3 TRP A 147 -4.351 14.476 7.709 1.00 76.50 C +ATOM 1165 NE1 TRP A 147 -5.936 13.279 10.664 1.00 80.87 N +ATOM 1166 CH2 TRP A 147 -5.817 16.255 8.487 1.00 77.05 C +ATOM 1167 CZ2 TRP A 147 -6.238 15.512 9.559 1.00 79.21 C +ATOM 1168 CZ3 TRP A 147 -4.884 15.752 7.566 1.00 77.57 C +ATOM 1169 N GLU A 148 -1.693 10.399 11.034 1.00 89.66 N +ATOM 1170 CA GLU A 148 -1.346 10.168 12.433 1.00 89.18 C +ATOM 1171 C GLU A 148 0.003 10.794 12.778 1.00 88.09 C +ATOM 1172 CB GLU A 148 -1.324 8.669 12.742 1.00 88.16 C +ATOM 1173 O GLU A 148 0.109 11.567 13.732 1.00 86.42 O +ATOM 1174 CG GLU A 148 -1.024 8.345 14.198 1.00 84.74 C +ATOM 1175 CD GLU A 148 0.464 8.285 14.505 1.00 81.91 C +ATOM 1176 OE1 GLU A 148 1.270 8.087 13.567 1.00 81.54 O +ATOM 1177 OE2 GLU A 148 0.827 8.436 15.693 1.00 80.11 O +ATOM 1178 N ARG A 149 1.063 10.541 11.993 1.00 86.52 N +ATOM 1179 CA ARG A 149 2.392 11.105 12.201 1.00 86.09 C +ATOM 1180 C ARG A 149 2.350 12.629 12.182 1.00 86.22 C +ATOM 1181 CB ARG A 149 3.366 10.594 11.137 1.00 85.07 C +ATOM 1182 O ARG A 149 2.947 13.283 13.040 1.00 85.47 O +ATOM 1183 CG ARG A 149 3.725 9.124 11.284 1.00 82.16 C +ATOM 1184 CD ARG A 149 4.438 8.847 12.600 1.00 80.81 C +ATOM 1185 NE ARG A 149 4.679 7.420 12.793 1.00 76.36 N +ATOM 1186 NH1 ARG A 149 5.396 7.625 14.979 1.00 75.26 N +ATOM 1187 NH2 ARG A 149 5.312 5.561 13.984 1.00 73.64 N +ATOM 1188 CZ ARG A 149 5.128 6.872 13.918 1.00 74.56 C +ATOM 1189 N TRP A 150 1.603 13.183 11.253 1.00 88.42 N +ATOM 1190 CA TRP A 150 1.438 14.629 11.148 1.00 89.23 C +ATOM 1191 C TRP A 150 0.768 15.192 12.397 1.00 87.64 C +ATOM 1192 CB TRP A 150 0.616 14.988 9.907 1.00 88.18 C +ATOM 1193 O TRP A 150 1.243 16.174 12.974 1.00 85.31 O +ATOM 1194 CG TRP A 150 0.238 16.436 9.825 1.00 85.49 C +ATOM 1195 CD1 TRP A 150 1.072 17.493 9.589 1.00 81.45 C +ATOM 1196 CD2 TRP A 150 -1.073 16.987 9.983 1.00 83.64 C +ATOM 1197 CE2 TRP A 150 -0.960 18.387 9.830 1.00 87.12 C +ATOM 1198 CE3 TRP A 150 -2.334 16.433 10.239 1.00 87.09 C +ATOM 1199 NE1 TRP A 150 0.358 18.669 9.591 1.00 86.34 N +ATOM 1200 CH2 TRP A 150 -3.284 18.672 10.176 1.00 85.09 C +ATOM 1201 CZ2 TRP A 150 -2.062 19.240 9.925 1.00 85.48 C +ATOM 1202 CZ3 TRP A 150 -3.430 17.284 10.333 1.00 85.92 C +ATOM 1203 N ILE A 151 -0.281 14.618 12.941 1.00 87.47 N +ATOM 1204 CA ILE A 151 -0.983 15.038 14.149 1.00 87.02 C +ATOM 1205 C ILE A 151 -0.043 14.952 15.349 1.00 85.98 C +ATOM 1206 CB ILE A 151 -2.245 14.181 14.395 1.00 86.39 C +ATOM 1207 O ILE A 151 0.088 15.912 16.113 1.00 84.49 O +ATOM 1208 CG1 ILE A 151 -3.327 14.514 13.361 1.00 85.19 C +ATOM 1209 CG2 ILE A 151 -2.768 14.387 15.820 1.00 84.41 C +ATOM 1210 CD1 ILE A 151 -4.495 13.538 13.351 1.00 83.32 C +ATOM 1211 N VAL A 152 0.698 13.884 15.523 1.00 84.05 N +ATOM 1212 CA VAL A 152 1.548 13.607 16.675 1.00 83.31 C +ATOM 1213 C VAL A 152 2.741 14.560 16.679 1.00 82.38 C +ATOM 1214 CB VAL A 152 2.037 12.141 16.680 1.00 82.36 C +ATOM 1215 O VAL A 152 3.120 15.087 17.727 1.00 80.42 O +ATOM 1216 CG1 VAL A 152 3.134 11.941 17.725 1.00 80.08 C +ATOM 1217 CG2 VAL A 152 0.870 11.191 16.938 1.00 79.14 C +ATOM 1218 N VAL A 153 3.325 14.884 15.542 1.00 83.45 N +ATOM 1219 CA VAL A 153 4.564 15.649 15.447 1.00 83.06 C +ATOM 1220 C VAL A 153 4.244 17.138 15.336 1.00 82.53 C +ATOM 1221 CB VAL A 153 5.419 15.197 14.242 1.00 82.18 C +ATOM 1222 O VAL A 153 4.888 17.967 15.984 1.00 80.94 O +ATOM 1223 CG1 VAL A 153 6.623 16.119 14.059 1.00 80.84 C +ATOM 1224 CG2 VAL A 153 5.873 13.750 14.424 1.00 79.68 C +ATOM 1225 N CYS A 154 3.292 17.571 14.472 1.00 86.10 N +ATOM 1226 CA CYS A 154 3.046 18.969 14.137 1.00 85.50 C +ATOM 1227 C CYS A 154 2.107 19.615 15.149 1.00 82.77 C +ATOM 1228 CB CYS A 154 2.457 19.088 12.732 1.00 83.94 C +ATOM 1229 O CYS A 154 2.069 20.841 15.273 1.00 78.52 O +ATOM 1230 SG CYS A 154 3.583 18.557 11.423 1.00 89.57 S +ATOM 1231 N LYS A 155 1.322 18.902 15.727 1.00 77.96 N +ATOM 1232 CA LYS A 155 0.368 19.504 16.654 1.00 76.63 C +ATOM 1233 C LYS A 155 0.687 19.121 18.096 1.00 76.77 C +ATOM 1234 CB LYS A 155 -1.060 19.084 16.303 1.00 71.13 C +ATOM 1235 O LYS A 155 -0.184 18.636 18.822 1.00 71.32 O +ATOM 1236 CG LYS A 155 -1.586 19.694 15.013 1.00 67.29 C +ATOM 1237 CD LYS A 155 -3.095 19.524 14.888 1.00 64.76 C +ATOM 1238 CE LYS A 155 -3.632 20.193 13.630 1.00 61.75 C +ATOM 1239 NZ LYS A 155 -5.106 20.003 13.487 1.00 55.28 N +ATOM 1240 N PRO A 156 2.043 19.371 18.395 1.00 68.75 N +ATOM 1241 CA PRO A 156 2.412 18.998 19.763 1.00 65.71 C +ATOM 1242 C PRO A 156 1.671 19.816 20.818 1.00 67.33 C +ATOM 1243 CB PRO A 156 3.916 19.278 19.812 1.00 61.25 C +ATOM 1244 O PRO A 156 1.580 19.400 21.976 1.00 62.78 O +ATOM 1245 CG PRO A 156 4.149 20.301 18.747 1.00 59.20 C +ATOM 1246 CD PRO A 156 3.147 20.084 17.650 1.00 58.92 C +ATOM 1247 N PHE A 157 1.038 20.928 20.299 1.00 57.19 N +ATOM 1248 CA PHE A 157 0.376 21.793 21.268 1.00 58.73 C +ATOM 1249 C PHE A 157 -1.103 21.442 21.385 1.00 57.14 C +ATOM 1250 CB PHE A 157 0.536 23.265 20.874 1.00 48.63 C +ATOM 1251 O PHE A 157 -1.805 21.971 22.250 1.00 52.92 O +ATOM 1252 CG PHE A 157 1.962 23.747 20.896 1.00 43.73 C +ATOM 1253 CD1 PHE A 157 2.623 23.950 22.102 1.00 37.57 C +ATOM 1254 CD2 PHE A 157 2.641 23.997 19.711 1.00 42.38 C +ATOM 1255 CE1 PHE A 157 3.942 24.396 22.125 1.00 41.14 C +ATOM 1256 CE2 PHE A 157 3.959 24.443 19.727 1.00 43.88 C +ATOM 1257 CZ PHE A 157 4.608 24.643 20.935 1.00 39.59 C +ATOM 1258 N GLY A 158 -1.506 20.397 20.780 1.00 62.99 N +ATOM 1259 CA GLY A 158 -2.861 19.879 20.872 1.00 62.25 C +ATOM 1260 C GLY A 158 -2.943 18.544 21.589 1.00 63.00 C +ATOM 1261 O GLY A 158 -2.181 17.624 21.286 1.00 58.45 O +ATOM 1262 N ASN A 159 -3.644 18.472 22.792 1.00 75.42 N +ATOM 1263 CA ASN A 159 -4.068 17.275 23.510 1.00 75.53 C +ATOM 1264 C ASN A 159 -4.680 16.242 22.567 1.00 76.59 C +ATOM 1265 CB ASN A 159 -5.061 17.636 24.617 1.00 71.20 C +ATOM 1266 O ASN A 159 -5.422 15.360 23.003 1.00 74.77 O +ATOM 1267 CG ASN A 159 -4.400 18.339 25.787 1.00 66.98 C +ATOM 1268 ND2 ASN A 159 -5.179 19.116 26.529 1.00 64.59 N +ATOM 1269 OD1 ASN A 159 -3.199 18.184 26.021 1.00 65.15 O +ATOM 1270 N VAL A 160 -4.560 16.395 21.225 1.00 80.70 N +ATOM 1271 CA VAL A 160 -5.146 15.389 20.345 1.00 80.31 C +ATOM 1272 C VAL A 160 -4.287 14.127 20.358 1.00 80.51 C +ATOM 1273 CB VAL A 160 -5.297 15.917 18.901 1.00 77.87 C +ATOM 1274 O VAL A 160 -3.257 14.063 19.683 1.00 77.78 O +ATOM 1275 CG1 VAL A 160 -5.990 14.882 18.017 1.00 74.80 C +ATOM 1276 CG2 VAL A 160 -6.069 17.235 18.892 1.00 74.63 C +ATOM 1277 N LYS A 161 -4.736 13.171 21.127 1.00 81.67 N +ATOM 1278 CA LYS A 161 -4.208 11.810 21.114 1.00 82.14 C +ATOM 1279 C LYS A 161 -4.825 10.991 19.984 1.00 83.77 C +ATOM 1280 CB LYS A 161 -4.462 11.123 22.457 1.00 80.09 C +ATOM 1281 O LYS A 161 -6.049 10.879 19.888 1.00 83.84 O +ATOM 1282 CG LYS A 161 -3.703 11.742 23.622 1.00 76.27 C +ATOM 1283 CD LYS A 161 -3.940 10.973 24.915 1.00 75.71 C +ATOM 1284 CE LYS A 161 -3.194 11.600 26.085 1.00 71.63 C +ATOM 1285 NZ LYS A 161 -3.451 10.870 27.362 1.00 71.06 N +ATOM 1286 N PHE A 162 -4.025 10.550 19.102 1.00 86.33 N +ATOM 1287 CA PHE A 162 -4.469 9.496 18.198 1.00 87.63 C +ATOM 1288 C PHE A 162 -4.771 8.215 18.966 1.00 87.75 C +ATOM 1289 CB PHE A 162 -3.411 9.227 17.123 1.00 86.38 C +ATOM 1290 O PHE A 162 -3.855 7.487 19.353 1.00 86.70 O +ATOM 1291 CG PHE A 162 -3.935 8.476 15.930 1.00 86.20 C +ATOM 1292 CD1 PHE A 162 -3.890 7.087 15.890 1.00 84.15 C +ATOM 1293 CD2 PHE A 162 -4.474 9.158 14.847 1.00 84.48 C +ATOM 1294 CE1 PHE A 162 -4.375 6.389 14.786 1.00 84.57 C +ATOM 1295 CE2 PHE A 162 -4.960 8.467 13.740 1.00 84.47 C +ATOM 1296 CZ PHE A 162 -4.909 7.083 13.711 1.00 82.82 C +ATOM 1297 N ASP A 163 -6.033 7.980 19.293 1.00 89.24 N +ATOM 1298 CA ASP A 163 -6.480 6.861 20.117 1.00 90.05 C +ATOM 1299 C ASP A 163 -6.954 5.697 19.250 1.00 91.89 C +ATOM 1300 CB ASP A 163 -7.599 7.304 21.062 1.00 88.16 C +ATOM 1301 O ASP A 163 -6.910 5.773 18.021 1.00 92.11 O +ATOM 1302 CG ASP A 163 -8.880 7.669 20.333 1.00 83.26 C +ATOM 1303 OD1 ASP A 163 -9.003 7.368 19.126 1.00 83.48 O +ATOM 1304 OD2 ASP A 163 -9.774 8.266 20.971 1.00 83.37 O +ATOM 1305 N GLU A 164 -7.406 4.598 19.859 1.00 92.20 N +ATOM 1306 CA GLU A 164 -7.841 3.365 19.210 1.00 93.38 C +ATOM 1307 C GLU A 164 -9.104 3.591 18.384 1.00 94.59 C +ATOM 1308 CB GLU A 164 -8.081 2.266 20.248 1.00 90.55 C +ATOM 1309 O GLU A 164 -9.299 2.950 17.349 1.00 94.84 O +ATOM 1310 CG GLU A 164 -6.824 1.837 20.991 1.00 81.03 C +ATOM 1311 CD GLU A 164 -7.067 0.705 21.977 1.00 78.22 C +ATOM 1312 OE1 GLU A 164 -8.242 0.331 22.195 1.00 79.32 O +ATOM 1313 OE2 GLU A 164 -6.074 0.187 22.536 1.00 76.52 O +ATOM 1314 N LYS A 165 -9.967 4.531 18.792 1.00 93.31 N +ATOM 1315 CA LYS A 165 -11.179 4.880 18.057 1.00 93.88 C +ATOM 1316 C LYS A 165 -10.843 5.512 16.710 1.00 94.06 C +ATOM 1317 CB LYS A 165 -12.051 5.831 18.879 1.00 93.03 C +ATOM 1318 O LYS A 165 -11.431 5.156 15.687 1.00 94.05 O +ATOM 1319 CG LYS A 165 -12.554 5.235 20.186 1.00 90.77 C +ATOM 1320 CD LYS A 165 -13.409 6.230 20.961 1.00 90.07 C +ATOM 1321 CE LYS A 165 -13.888 5.646 22.283 1.00 89.39 C +ATOM 1322 NZ LYS A 165 -14.648 6.648 23.089 1.00 89.52 N +ATOM 1323 N TRP A 166 -9.822 6.355 16.644 1.00 91.98 N +ATOM 1324 CA TRP A 166 -9.378 7.000 15.413 1.00 92.96 C +ATOM 1325 C TRP A 166 -8.716 5.993 14.479 1.00 92.93 C +ATOM 1326 CB TRP A 166 -8.407 8.143 15.723 1.00 91.52 C +ATOM 1327 O TRP A 166 -8.993 5.975 13.277 1.00 92.15 O +ATOM 1328 CG TRP A 166 -9.076 9.396 16.203 1.00 84.58 C +ATOM 1329 CD1 TRP A 166 -9.088 9.887 17.479 1.00 78.76 C +ATOM 1330 CD2 TRP A 166 -9.834 10.317 15.411 1.00 80.07 C +ATOM 1331 CE2 TRP A 166 -10.276 11.344 16.274 1.00 79.42 C +ATOM 1332 CE3 TRP A 166 -10.181 10.373 14.055 1.00 80.23 C +ATOM 1333 NE1 TRP A 166 -9.808 11.058 17.528 1.00 82.38 N +ATOM 1334 CH2 TRP A 166 -11.375 12.447 14.492 1.00 81.65 C +ATOM 1335 CZ2 TRP A 166 -11.050 12.416 15.823 1.00 82.19 C +ATOM 1336 CZ3 TRP A 166 -10.951 11.441 13.608 1.00 81.65 C +ATOM 1337 N ALA A 167 -7.956 5.135 15.012 1.00 93.84 N +ATOM 1338 CA ALA A 167 -7.340 4.076 14.216 1.00 94.55 C +ATOM 1339 C ALA A 167 -8.397 3.152 13.621 1.00 95.07 C +ATOM 1340 CB ALA A 167 -6.355 3.276 15.066 1.00 93.49 C +ATOM 1341 O ALA A 167 -8.388 2.881 12.418 1.00 95.07 O +ATOM 1342 N THR A 168 -9.392 2.739 14.420 1.00 96.00 N +ATOM 1343 CA THR A 168 -10.490 1.885 13.979 1.00 96.44 C +ATOM 1344 C THR A 168 -11.347 2.600 12.938 1.00 96.47 C +ATOM 1345 CB THR A 168 -11.372 1.451 15.164 1.00 95.86 C +ATOM 1346 O THR A 168 -11.656 2.036 11.887 1.00 96.42 O +ATOM 1347 CG2 THR A 168 -12.500 0.534 14.704 1.00 93.73 C +ATOM 1348 OG1 THR A 168 -10.565 0.755 16.122 1.00 94.92 O +ATOM 1349 N ALA A 169 -11.657 3.858 13.158 1.00 95.58 N +ATOM 1350 CA ALA A 169 -12.400 4.665 12.194 1.00 95.74 C +ATOM 1351 C ALA A 169 -11.628 4.804 10.885 1.00 95.69 C +ATOM 1352 CB ALA A 169 -12.705 6.043 12.776 1.00 94.92 C +ATOM 1353 O ALA A 169 -12.202 4.670 9.801 1.00 95.35 O +ATOM 1354 N GLY A 170 -10.375 5.013 10.943 1.00 95.73 N +ATOM 1355 CA GLY A 170 -9.505 5.036 9.777 1.00 96.03 C +ATOM 1356 C GLY A 170 -9.502 3.728 9.010 1.00 96.52 C +ATOM 1357 O GLY A 170 -9.672 3.718 7.788 1.00 96.42 O +ATOM 1358 N ILE A 171 -9.407 2.620 9.664 1.00 96.85 N +ATOM 1359 CA ILE A 171 -9.421 1.291 9.061 1.00 97.12 C +ATOM 1360 C ILE A 171 -10.769 1.043 8.389 1.00 97.05 C +ATOM 1361 CB ILE A 171 -9.134 0.192 10.109 1.00 96.92 C +ATOM 1362 O ILE A 171 -10.825 0.628 7.229 1.00 96.91 O +ATOM 1363 CG1 ILE A 171 -7.664 0.240 10.544 1.00 96.48 C +ATOM 1364 CG2 ILE A 171 -9.497 -1.189 9.556 1.00 96.52 C +ATOM 1365 CD1 ILE A 171 -7.364 -0.566 11.800 1.00 94.99 C +ATOM 1366 N ILE A 172 -11.882 1.334 9.047 1.00 97.66 N +ATOM 1367 CA ILE A 172 -13.221 1.190 8.486 1.00 97.77 C +ATOM 1368 C ILE A 172 -13.365 2.087 7.258 1.00 97.66 C +ATOM 1369 CB ILE A 172 -14.310 1.530 9.528 1.00 97.62 C +ATOM 1370 O ILE A 172 -13.822 1.638 6.204 1.00 97.45 O +ATOM 1371 CG1 ILE A 172 -14.348 0.463 10.628 1.00 97.04 C +ATOM 1372 CG2 ILE A 172 -15.678 1.670 8.854 1.00 96.86 C +ATOM 1373 CD1 ILE A 172 -15.186 0.851 11.839 1.00 96.00 C +ATOM 1374 N PHE A 173 -12.896 3.292 7.341 1.00 96.56 N +ATOM 1375 CA PHE A 173 -12.915 4.235 6.230 1.00 96.69 C +ATOM 1376 C PHE A 173 -12.142 3.683 5.038 1.00 96.38 C +ATOM 1377 CB PHE A 173 -12.328 5.584 6.657 1.00 96.42 C +ATOM 1378 O PHE A 173 -12.644 3.684 3.912 1.00 95.91 O +ATOM 1379 CG PHE A 173 -12.141 6.552 5.520 1.00 95.20 C +ATOM 1380 CD1 PHE A 173 -13.215 7.281 5.026 1.00 93.50 C +ATOM 1381 CD2 PHE A 173 -10.889 6.732 4.946 1.00 93.48 C +ATOM 1382 CE1 PHE A 173 -13.044 8.178 3.973 1.00 92.51 C +ATOM 1383 CE2 PHE A 173 -10.710 7.626 3.894 1.00 92.04 C +ATOM 1384 CZ PHE A 173 -11.789 8.347 3.409 1.00 91.56 C +ATOM 1385 N THR A 174 -10.943 3.114 5.213 1.00 96.79 N +ATOM 1386 CA THR A 174 -10.123 2.607 4.118 1.00 96.67 C +ATOM 1387 C THR A 174 -10.839 1.477 3.384 1.00 96.37 C +ATOM 1388 CB THR A 174 -8.758 2.109 4.626 1.00 95.62 C +ATOM 1389 O THR A 174 -10.885 1.460 2.152 1.00 95.59 O +ATOM 1390 CG2 THR A 174 -8.006 3.216 5.358 1.00 84.89 C +ATOM 1391 OG1 THR A 174 -8.960 1.011 5.523 1.00 86.65 O +ATOM 1392 N TRP A 175 -11.529 0.557 4.067 1.00 97.45 N +ATOM 1393 CA TRP A 175 -12.210 -0.581 3.459 1.00 97.51 C +ATOM 1394 C TRP A 175 -13.521 -0.150 2.812 1.00 96.74 C +ATOM 1395 CB TRP A 175 -12.475 -1.669 4.504 1.00 97.58 C +ATOM 1396 O TRP A 175 -13.796 -0.497 1.661 1.00 95.26 O +ATOM 1397 CG TRP A 175 -11.282 -2.525 4.809 1.00 97.34 C +ATOM 1398 CD1 TRP A 175 -10.529 -2.512 5.950 1.00 96.33 C +ATOM 1399 CD2 TRP A 175 -10.703 -3.517 3.956 1.00 95.94 C +ATOM 1400 CE2 TRP A 175 -9.600 -4.068 4.646 1.00 96.05 C +ATOM 1401 CE3 TRP A 175 -11.010 -3.995 2.675 1.00 93.17 C +ATOM 1402 NE1 TRP A 175 -9.516 -3.438 5.858 1.00 92.00 N +ATOM 1403 CH2 TRP A 175 -9.124 -5.523 2.841 1.00 92.84 C +ATOM 1404 CZ2 TRP A 175 -8.802 -5.074 4.096 1.00 92.75 C +ATOM 1405 CZ3 TRP A 175 -10.214 -4.996 2.130 1.00 92.57 C +ATOM 1406 N VAL A 176 -14.343 0.715 3.453 1.00 96.81 N +ATOM 1407 CA VAL A 176 -15.593 1.211 2.885 1.00 96.71 C +ATOM 1408 C VAL A 176 -15.301 2.026 1.627 1.00 96.09 C +ATOM 1409 CB VAL A 176 -16.379 2.066 3.904 1.00 96.54 C +ATOM 1410 O VAL A 176 -15.938 1.828 0.590 1.00 95.40 O +ATOM 1411 CG1 VAL A 176 -17.560 2.761 3.228 1.00 95.25 C +ATOM 1412 CG2 VAL A 176 -16.859 1.201 5.068 1.00 94.88 C +ATOM 1413 N TRP A 177 -14.265 2.854 1.660 1.00 95.19 N +ATOM 1414 CA TRP A 177 -13.831 3.669 0.530 1.00 95.56 C +ATOM 1415 C TRP A 177 -13.341 2.791 -0.617 1.00 94.38 C +ATOM 1416 CB TRP A 177 -12.724 4.636 0.958 1.00 95.31 C +ATOM 1417 O TRP A 177 -13.755 2.970 -1.765 1.00 92.34 O +ATOM 1418 CG TRP A 177 -12.318 5.608 -0.110 1.00 93.83 C +ATOM 1419 CD1 TRP A 177 -11.260 5.495 -0.967 1.00 90.90 C +ATOM 1420 CD2 TRP A 177 -12.963 6.844 -0.429 1.00 91.11 C +ATOM 1421 CE2 TRP A 177 -12.242 7.430 -1.493 1.00 91.98 C +ATOM 1422 CE3 TRP A 177 -14.083 7.515 0.081 1.00 85.00 C +ATOM 1423 NE1 TRP A 177 -11.208 6.587 -1.802 1.00 84.70 N +ATOM 1424 CH2 TRP A 177 -13.704 9.290 -1.539 1.00 86.79 C +ATOM 1425 CZ2 TRP A 177 -12.605 8.655 -2.057 1.00 86.42 C +ATOM 1426 CZ3 TRP A 177 -14.443 8.734 -0.482 1.00 86.10 C +ATOM 1427 N SER A 178 -12.493 1.754 -0.331 1.00 95.22 N +ATOM 1428 CA SER A 178 -11.967 0.835 -1.335 1.00 94.73 C +ATOM 1429 C SER A 178 -13.084 0.019 -1.978 1.00 93.69 C +ATOM 1430 CB SER A 178 -10.932 -0.104 -0.714 1.00 93.22 C +ATOM 1431 O SER A 178 -13.190 -0.041 -3.205 1.00 91.89 O +ATOM 1432 OG SER A 178 -11.563 -1.087 0.090 1.00 75.63 O +ATOM 1433 N LEU A 179 -14.002 -0.515 -1.202 1.00 93.57 N +ATOM 1434 CA LEU A 179 -15.126 -1.305 -1.694 1.00 93.31 C +ATOM 1435 C LEU A 179 -16.073 -0.444 -2.525 1.00 91.94 C +ATOM 1436 CB LEU A 179 -15.887 -1.940 -0.527 1.00 93.19 C +ATOM 1437 O LEU A 179 -16.535 -0.870 -3.586 1.00 90.72 O +ATOM 1438 CG LEU A 179 -15.154 -3.041 0.240 1.00 92.68 C +ATOM 1439 CD1 LEU A 179 -15.947 -3.440 1.481 1.00 91.34 C +ATOM 1440 CD2 LEU A 179 -14.914 -4.250 -0.658 1.00 90.90 C +ATOM 1441 N PHE A 180 -16.280 0.795 -2.138 1.00 92.10 N +ATOM 1442 CA PHE A 180 -17.117 1.747 -2.859 1.00 91.68 C +ATOM 1443 C PHE A 180 -16.552 2.023 -4.247 1.00 89.59 C +ATOM 1444 CB PHE A 180 -17.243 3.056 -2.074 1.00 91.57 C +ATOM 1445 O PHE A 180 -17.257 1.886 -5.249 1.00 87.60 O +ATOM 1446 CG PHE A 180 -17.982 4.139 -2.813 1.00 91.14 C +ATOM 1447 CD1 PHE A 180 -19.370 4.151 -2.852 1.00 89.55 C +ATOM 1448 CD2 PHE A 180 -17.286 5.146 -3.470 1.00 89.27 C +ATOM 1449 CE1 PHE A 180 -20.056 5.152 -3.536 1.00 89.08 C +ATOM 1450 CE2 PHE A 180 -17.964 6.149 -4.156 1.00 89.20 C +ATOM 1451 CZ PHE A 180 -19.350 6.150 -4.188 1.00 88.59 C +ATOM 1452 N TRP A 181 -15.235 2.258 -4.402 1.00 90.35 N +ATOM 1453 CA TRP A 181 -14.604 2.632 -5.664 1.00 90.26 C +ATOM 1454 C TRP A 181 -14.364 1.405 -6.537 1.00 87.05 C +ATOM 1455 CB TRP A 181 -13.282 3.360 -5.409 1.00 88.98 C +ATOM 1456 O TRP A 181 -14.242 1.520 -7.759 1.00 82.29 O +ATOM 1457 CG TRP A 181 -13.442 4.807 -5.050 1.00 85.64 C +ATOM 1458 CD1 TRP A 181 -13.220 5.383 -3.830 1.00 80.76 C +ATOM 1459 CD2 TRP A 181 -13.866 5.861 -5.920 1.00 81.75 C +ATOM 1460 CE2 TRP A 181 -13.876 7.051 -5.160 1.00 83.60 C +ATOM 1461 CE3 TRP A 181 -14.237 5.915 -7.270 1.00 78.41 C +ATOM 1462 NE1 TRP A 181 -13.479 6.733 -3.889 1.00 79.01 N +ATOM 1463 CH2 TRP A 181 -14.603 8.308 -7.030 1.00 79.74 C +ATOM 1464 CZ2 TRP A 181 -14.244 8.283 -5.707 1.00 79.60 C +ATOM 1465 CZ3 TRP A 181 -14.602 7.141 -7.812 1.00 79.34 C +ATOM 1466 N CYS A 182 -14.411 0.250 -5.966 1.00 88.67 N +ATOM 1467 CA CYS A 182 -14.225 -0.980 -6.729 1.00 87.84 C +ATOM 1468 C CYS A 182 -15.567 -1.576 -7.138 1.00 86.58 C +ATOM 1469 CB CYS A 182 -13.430 -2.000 -5.915 1.00 86.22 C +ATOM 1470 O CYS A 182 -15.617 -2.509 -7.941 1.00 83.71 O +ATOM 1471 SG CYS A 182 -11.713 -1.522 -5.624 1.00 86.65 S +ATOM 1472 N ALA A 183 -16.702 -1.048 -6.706 1.00 87.22 N +ATOM 1473 CA ALA A 183 -18.032 -1.612 -6.924 1.00 86.54 C +ATOM 1474 C ALA A 183 -18.498 -1.381 -8.358 1.00 85.23 C +ATOM 1475 CB ALA A 183 -19.032 -1.012 -5.939 1.00 85.21 C +ATOM 1476 O ALA A 183 -19.157 -2.240 -8.950 1.00 83.06 O +ATOM 1477 N PRO A 184 -18.160 -0.287 -9.051 1.00 81.78 N +ATOM 1478 CA PRO A 184 -18.789 0.056 -10.328 1.00 80.92 C +ATOM 1479 C PRO A 184 -18.554 -1.001 -11.405 1.00 79.98 C +ATOM 1480 CB PRO A 184 -18.118 1.379 -10.707 1.00 78.93 C +ATOM 1481 O PRO A 184 -19.473 -1.338 -12.155 1.00 76.60 O +ATOM 1482 CG PRO A 184 -17.824 2.046 -9.402 1.00 79.07 C +ATOM 1483 CD PRO A 184 -17.376 0.999 -8.422 1.00 79.83 C +ATOM 1484 N PRO A 185 -17.375 -1.712 -11.470 1.00 77.55 N +ATOM 1485 CA PRO A 185 -17.195 -2.786 -12.450 1.00 76.64 C +ATOM 1486 C PRO A 185 -18.123 -3.973 -12.203 1.00 77.10 C +ATOM 1487 CB PRO A 185 -15.730 -3.190 -12.265 1.00 75.37 C +ATOM 1488 O PRO A 185 -18.537 -4.645 -13.150 1.00 74.95 O +ATOM 1489 CG PRO A 185 -15.056 -1.959 -11.750 1.00 75.08 C +ATOM 1490 CD PRO A 185 -16.013 -1.234 -10.848 1.00 74.94 C +ATOM 1491 N ILE A 186 -18.521 -4.263 -11.020 1.00 76.56 N +ATOM 1492 CA ILE A 186 -19.455 -5.328 -10.668 1.00 76.05 C +ATOM 1493 C ILE A 186 -20.837 -5.009 -11.233 1.00 75.91 C +ATOM 1494 CB ILE A 186 -19.533 -5.528 -9.138 1.00 74.82 C +ATOM 1495 O ILE A 186 -21.568 -5.911 -11.648 1.00 74.52 O +ATOM 1496 CG1 ILE A 186 -18.162 -5.925 -8.580 1.00 77.13 C +ATOM 1497 CG2 ILE A 186 -20.593 -6.576 -8.785 1.00 76.91 C +ATOM 1498 CD1 ILE A 186 -18.111 -6.004 -7.061 1.00 74.52 C +ATOM 1499 N PHE A 187 -21.117 -3.706 -11.330 1.00 76.18 N +ATOM 1500 CA PHE A 187 -22.420 -3.255 -11.803 1.00 75.63 C +ATOM 1501 C PHE A 187 -22.403 -3.035 -13.310 1.00 74.14 C +ATOM 1502 CB PHE A 187 -22.834 -1.964 -11.088 1.00 73.31 C +ATOM 1503 O PHE A 187 -23.347 -2.474 -13.872 1.00 71.12 O +ATOM 1504 CG PHE A 187 -23.029 -2.127 -9.605 1.00 74.47 C +ATOM 1505 CD1 PHE A 187 -24.004 -2.983 -9.108 1.00 74.20 C +ATOM 1506 CD2 PHE A 187 -22.236 -1.423 -8.708 1.00 74.92 C +ATOM 1507 CE1 PHE A 187 -24.186 -3.136 -7.735 1.00 74.27 C +ATOM 1508 CE2 PHE A 187 -22.413 -1.570 -7.335 1.00 73.28 C +ATOM 1509 CZ PHE A 187 -23.389 -2.426 -6.851 1.00 70.92 C +ATOM 1510 N GLY A 188 -21.361 -3.451 -13.955 1.00 72.37 N +ATOM 1511 CA GLY A 188 -21.250 -3.408 -15.405 1.00 70.77 C +ATOM 1512 C GLY A 188 -20.811 -2.054 -15.930 1.00 71.41 C +ATOM 1513 O GLY A 188 -20.780 -1.833 -17.142 1.00 69.21 O +ATOM 1514 N TRP A 189 -20.479 -1.067 -15.036 1.00 54.32 N +ATOM 1515 CA TRP A 189 -20.028 0.259 -15.444 1.00 60.60 C +ATOM 1516 C TRP A 189 -18.639 0.194 -16.069 1.00 51.06 C +ATOM 1517 CB TRP A 189 -20.019 1.215 -14.247 1.00 48.20 C +ATOM 1518 O TRP A 189 -18.246 1.090 -16.820 1.00 46.97 O +ATOM 1519 CG TRP A 189 -21.384 1.554 -13.728 1.00 42.50 C +ATOM 1520 CD1 TRP A 189 -22.582 1.085 -14.191 1.00 35.77 C +ATOM 1521 CD2 TRP A 189 -21.691 2.442 -12.649 1.00 40.90 C +ATOM 1522 CE2 TRP A 189 -23.097 2.462 -12.511 1.00 42.03 C +ATOM 1523 CE3 TRP A 189 -20.913 3.222 -11.783 1.00 59.77 C +ATOM 1524 NE1 TRP A 189 -23.616 1.627 -13.463 1.00 62.57 N +ATOM 1525 CH2 TRP A 189 -22.956 3.988 -10.707 1.00 55.78 C +ATOM 1526 CZ2 TRP A 189 -23.741 3.234 -11.541 1.00 65.06 C +ATOM 1527 CZ3 TRP A 189 -21.556 3.989 -10.818 1.00 48.67 C +ATOM 1528 N SER A 190 -17.942 -0.928 -15.870 1.00 66.05 N +ATOM 1529 CA SER A 190 -16.662 -1.282 -16.475 1.00 64.65 C +ATOM 1530 C SER A 190 -16.526 -2.792 -16.637 1.00 65.64 C +ATOM 1531 CB SER A 190 -15.504 -0.744 -15.634 1.00 60.22 C +ATOM 1532 O SER A 190 -17.048 -3.558 -15.825 1.00 61.42 O +ATOM 1533 OG SER A 190 -14.953 -1.767 -14.824 1.00 56.42 O +ATOM 1534 N ARG A 191 -16.115 -3.210 -17.820 1.00 66.46 N +ATOM 1535 CA ARG A 191 -15.795 -4.620 -18.015 1.00 64.56 C +ATOM 1536 C ARG A 191 -14.384 -4.934 -17.528 1.00 66.60 C +ATOM 1537 CB ARG A 191 -15.937 -5.005 -19.490 1.00 62.34 C +ATOM 1538 O ARG A 191 -13.433 -4.227 -17.867 1.00 64.15 O +ATOM 1539 CG ARG A 191 -17.355 -4.877 -20.025 1.00 60.21 C +ATOM 1540 CD ARG A 191 -17.447 -5.304 -21.483 1.00 60.25 C +ATOM 1541 NE ARG A 191 -18.800 -5.139 -22.009 1.00 49.92 N +ATOM 1542 NH1 ARG A 191 -18.331 -6.058 -24.076 1.00 47.27 N +ATOM 1543 NH2 ARG A 191 -20.444 -5.305 -23.603 1.00 44.15 N +ATOM 1544 CZ ARG A 191 -19.189 -5.501 -23.228 1.00 58.46 C +ATOM 1545 N TYR A 192 -14.223 -5.833 -16.604 1.00 64.30 N +ATOM 1546 CA TYR A 192 -12.921 -6.453 -16.384 1.00 62.13 C +ATOM 1547 C TYR A 192 -12.562 -7.392 -17.530 1.00 63.68 C +ATOM 1548 CB TYR A 192 -12.908 -7.220 -15.058 1.00 58.80 C +ATOM 1549 O TYR A 192 -13.333 -8.294 -17.866 1.00 59.58 O +ATOM 1550 CG TYR A 192 -12.821 -6.329 -13.842 1.00 56.82 C +ATOM 1551 CD1 TYR A 192 -11.607 -5.767 -13.453 1.00 54.53 C +ATOM 1552 CD2 TYR A 192 -13.950 -6.049 -13.081 1.00 58.03 C +ATOM 1553 CE1 TYR A 192 -11.521 -4.947 -12.332 1.00 59.89 C +ATOM 1554 CE2 TYR A 192 -13.876 -5.230 -11.959 1.00 59.63 C +ATOM 1555 OH TYR A 192 -12.579 -3.874 -10.483 1.00 53.41 O +ATOM 1556 CZ TYR A 192 -12.659 -4.684 -11.593 1.00 55.88 C +ATOM 1557 N TRP A 193 -11.324 -7.014 -18.081 1.00 55.25 N +ATOM 1558 CA TRP A 193 -10.721 -7.823 -19.134 1.00 62.61 C +ATOM 1559 C TRP A 193 -9.360 -8.357 -18.699 1.00 55.42 C +ATOM 1560 CB TRP A 193 -10.575 -7.008 -20.422 1.00 51.89 C +ATOM 1561 O TRP A 193 -8.650 -7.708 -17.926 1.00 52.21 O +ATOM 1562 CG TRP A 193 -11.870 -6.755 -21.133 1.00 48.24 C +ATOM 1563 CD1 TRP A 193 -12.651 -5.636 -21.048 1.00 41.54 C +ATOM 1564 CD2 TRP A 193 -12.538 -7.643 -22.034 1.00 43.67 C +ATOM 1565 CE2 TRP A 193 -13.720 -6.997 -22.459 1.00 40.90 C +ATOM 1566 CE3 TRP A 193 -12.250 -8.924 -22.524 1.00 47.93 C +ATOM 1567 NE1 TRP A 193 -13.765 -5.775 -21.844 1.00 44.74 N +ATOM 1568 CH2 TRP A 193 -14.310 -8.844 -23.817 1.00 37.14 C +ATOM 1569 CZ2 TRP A 193 -14.615 -7.590 -23.353 1.00 42.34 C +ATOM 1570 CZ3 TRP A 193 -13.142 -9.513 -23.413 1.00 36.24 C +ATOM 1571 N PRO A 194 -8.994 -9.518 -19.079 1.00 57.23 N +ATOM 1572 CA PRO A 194 -7.586 -9.884 -18.908 1.00 55.05 C +ATOM 1573 C PRO A 194 -6.636 -8.918 -19.610 1.00 57.37 C +ATOM 1574 CB PRO A 194 -7.506 -11.280 -19.533 1.00 53.03 C +ATOM 1575 O PRO A 194 -6.755 -8.697 -20.818 1.00 55.36 O +ATOM 1576 CG PRO A 194 -8.712 -11.374 -20.411 1.00 49.61 C +ATOM 1577 CD PRO A 194 -9.697 -10.325 -19.984 1.00 51.59 C +ATOM 1578 N HIS A 195 -5.741 -8.333 -18.890 1.00 59.42 N +ATOM 1579 CA HIS A 195 -4.685 -7.463 -19.396 1.00 58.56 C +ATOM 1580 C HIS A 195 -3.619 -8.262 -20.137 1.00 59.61 C +ATOM 1581 CB HIS A 195 -4.048 -6.673 -18.252 1.00 54.84 C +ATOM 1582 O HIS A 195 -3.193 -9.320 -19.669 1.00 56.62 O +ATOM 1583 CG HIS A 195 -4.953 -5.642 -17.657 1.00 51.48 C +ATOM 1584 CD2 HIS A 195 -5.478 -5.529 -16.414 1.00 48.72 C +ATOM 1585 ND1 HIS A 195 -5.423 -4.561 -18.373 1.00 49.40 N +ATOM 1586 CE1 HIS A 195 -6.198 -3.827 -17.592 1.00 46.18 C +ATOM 1587 NE2 HIS A 195 -6.248 -4.393 -16.398 1.00 42.41 N +ATOM 1588 N GLY A 196 -3.144 -7.727 -21.428 1.00 53.47 N +ATOM 1589 CA GLY A 196 -2.097 -7.990 -22.403 1.00 52.38 C +ATOM 1590 C GLY A 196 -1.535 -9.396 -22.311 1.00 53.23 C +ATOM 1591 O GLY A 196 -1.518 -10.130 -23.301 1.00 50.64 O +ATOM 1592 N LEU A 197 -0.980 -9.719 -20.999 1.00 50.79 N +ATOM 1593 CA LEU A 197 -0.342 -11.017 -20.811 1.00 49.54 C +ATOM 1594 C LEU A 197 -1.328 -12.031 -20.241 1.00 51.58 C +ATOM 1595 CB LEU A 197 0.870 -10.889 -19.883 1.00 45.10 C +ATOM 1596 O LEU A 197 -0.933 -13.125 -19.831 1.00 48.93 O +ATOM 1597 CG LEU A 197 2.067 -10.114 -20.435 1.00 41.46 C +ATOM 1598 CD1 LEU A 197 3.096 -9.875 -19.335 1.00 34.25 C +ATOM 1599 CD2 LEU A 197 2.694 -10.862 -21.607 1.00 38.70 C +ATOM 1600 N LYS A 198 -2.660 -11.723 -20.163 1.00 55.32 N +ATOM 1601 CA LYS A 198 -3.668 -12.578 -19.542 1.00 54.23 C +ATOM 1602 C LYS A 198 -3.277 -12.940 -18.112 1.00 56.29 C +ATOM 1603 CB LYS A 198 -3.876 -13.849 -20.367 1.00 49.92 C +ATOM 1604 O LYS A 198 -3.662 -13.996 -17.606 1.00 53.89 O +ATOM 1605 CG LYS A 198 -4.392 -13.596 -21.776 1.00 46.00 C +ATOM 1606 CD LYS A 198 -4.703 -14.899 -22.499 1.00 49.44 C +ATOM 1607 CE LYS A 198 -5.264 -14.646 -23.892 1.00 37.70 C +ATOM 1608 NZ LYS A 198 -5.628 -15.919 -24.583 1.00 34.74 N +ATOM 1609 N THR A 199 -2.289 -12.293 -17.528 1.00 57.17 N +ATOM 1610 CA THR A 199 -1.717 -12.639 -16.231 1.00 56.77 C +ATOM 1611 C THR A 199 -2.483 -11.955 -15.102 1.00 58.50 C +ATOM 1612 CB THR A 199 -0.229 -12.250 -16.155 1.00 52.24 C +ATOM 1613 O THR A 199 -2.393 -12.369 -13.944 1.00 56.33 O +ATOM 1614 CG2 THR A 199 0.612 -13.104 -17.097 1.00 42.53 C +ATOM 1615 OG1 THR A 199 -0.083 -10.872 -16.518 1.00 49.06 O +ATOM 1616 N SER A 200 -3.273 -10.901 -15.368 1.00 63.39 N +ATOM 1617 CA SER A 200 -4.100 -10.210 -14.383 1.00 63.41 C +ATOM 1618 C SER A 200 -5.387 -9.686 -15.012 1.00 65.01 C +ATOM 1619 CB SER A 200 -3.326 -9.053 -13.750 1.00 58.90 C +ATOM 1620 O SER A 200 -5.396 -9.285 -16.178 1.00 62.56 O +ATOM 1621 OG SER A 200 -2.942 -8.107 -14.732 1.00 55.48 O +ATOM 1622 N CYS A 201 -6.474 -9.817 -14.225 1.00 65.10 N +ATOM 1623 CA CYS A 201 -7.744 -9.169 -14.531 1.00 66.72 C +ATOM 1624 C CYS A 201 -7.794 -7.762 -13.947 1.00 65.51 C +ATOM 1625 CB CYS A 201 -8.911 -9.995 -13.992 1.00 60.75 C +ATOM 1626 O CYS A 201 -7.410 -7.549 -12.795 1.00 62.56 O +ATOM 1627 SG CYS A 201 -9.035 -11.642 -14.723 1.00 72.52 S +ATOM 1628 N GLY A 202 -7.952 -6.766 -14.791 1.00 68.50 N +ATOM 1629 CA GLY A 202 -8.135 -5.377 -14.402 1.00 67.95 C +ATOM 1630 C GLY A 202 -9.168 -4.653 -15.244 1.00 69.23 C +ATOM 1631 O GLY A 202 -9.714 -5.221 -16.192 1.00 67.18 O +ATOM 1632 N PRO A 203 -9.528 -3.432 -14.713 1.00 64.67 N +ATOM 1633 CA PRO A 203 -10.380 -2.609 -15.575 1.00 63.60 C +ATOM 1634 C PRO A 203 -9.777 -2.386 -16.960 1.00 64.96 C +ATOM 1635 CB PRO A 203 -10.487 -1.289 -14.808 1.00 61.76 C +ATOM 1636 O PRO A 203 -8.567 -2.179 -17.085 1.00 62.76 O +ATOM 1637 CG PRO A 203 -9.263 -1.244 -13.951 1.00 59.94 C +ATOM 1638 CD PRO A 203 -8.824 -2.652 -13.672 1.00 60.88 C +ATOM 1639 N ASP A 204 -10.546 -2.489 -17.979 1.00 64.77 N +ATOM 1640 CA ASP A 204 -10.199 -2.412 -19.395 1.00 63.88 C +ATOM 1641 C ASP A 204 -9.707 -1.015 -19.764 1.00 64.72 C +ATOM 1642 CB ASP A 204 -11.399 -2.794 -20.263 1.00 60.48 C +ATOM 1643 O ASP A 204 -10.396 -0.275 -20.469 1.00 61.56 O +ATOM 1644 CG ASP A 204 -11.012 -3.148 -21.688 1.00 57.26 C +ATOM 1645 OD1 ASP A 204 -9.803 -3.157 -22.007 1.00 57.00 O +ATOM 1646 OD2 ASP A 204 -11.923 -3.417 -22.500 1.00 60.17 O +ATOM 1647 N VAL A 205 -8.496 -0.631 -19.395 1.00 64.87 N +ATOM 1648 CA VAL A 205 -7.903 0.669 -19.689 1.00 64.57 C +ATOM 1649 C VAL A 205 -7.311 0.661 -21.096 1.00 64.81 C +ATOM 1650 CB VAL A 205 -6.818 1.045 -18.656 1.00 61.37 C +ATOM 1651 O VAL A 205 -7.151 1.715 -21.716 1.00 62.00 O +ATOM 1652 CG1 VAL A 205 -6.408 2.509 -18.811 1.00 54.27 C +ATOM 1653 CG2 VAL A 205 -7.315 0.774 -17.237 1.00 54.82 C +ATOM 1654 N PHE A 206 -7.083 -0.546 -21.635 1.00 65.25 N +ATOM 1655 CA PHE A 206 -6.181 -0.656 -22.775 1.00 64.88 C +ATOM 1656 C PHE A 206 -6.924 -1.159 -24.007 1.00 64.65 C +ATOM 1657 CB PHE A 206 -5.012 -1.592 -22.449 1.00 61.17 C +ATOM 1658 O PHE A 206 -6.385 -1.136 -25.116 1.00 61.06 O +ATOM 1659 CG PHE A 206 -4.163 -1.124 -21.298 1.00 57.08 C +ATOM 1660 CD1 PHE A 206 -3.402 0.033 -21.402 1.00 54.01 C +ATOM 1661 CD2 PHE A 206 -4.127 -1.843 -20.110 1.00 55.90 C +ATOM 1662 CE1 PHE A 206 -2.615 0.468 -20.338 1.00 52.43 C +ATOM 1663 CE2 PHE A 206 -3.343 -1.415 -19.042 1.00 54.44 C +ATOM 1664 CZ PHE A 206 -2.587 -0.259 -19.159 1.00 52.97 C +ATOM 1665 N SER A 207 -8.164 -1.693 -23.996 1.00 62.51 N +ATOM 1666 CA SER A 207 -8.863 -2.267 -25.141 1.00 61.75 C +ATOM 1667 C SER A 207 -9.277 -1.186 -26.135 1.00 62.53 C +ATOM 1668 CB SER A 207 -10.096 -3.047 -24.682 1.00 59.02 C +ATOM 1669 O SER A 207 -9.862 -1.486 -27.178 1.00 60.16 O +ATOM 1670 OG SER A 207 -11.052 -2.179 -24.100 1.00 57.16 O +ATOM 1671 N GLY A 208 -8.816 0.150 -25.869 1.00 62.30 N +ATOM 1672 CA GLY A 208 -9.253 1.203 -26.772 1.00 61.67 C +ATOM 1673 C GLY A 208 -10.750 1.446 -26.725 1.00 62.89 C +ATOM 1674 O GLY A 208 -11.308 2.090 -27.616 1.00 61.41 O +ATOM 1675 N ASN A 209 -11.442 0.656 -25.881 1.00 63.24 N +ATOM 1676 CA ASN A 209 -12.845 1.008 -25.689 1.00 62.58 C +ATOM 1677 C ASN A 209 -13.018 2.504 -25.437 1.00 64.25 C +ATOM 1678 CB ASN A 209 -13.448 0.203 -24.536 1.00 59.74 C +ATOM 1679 O ASN A 209 -12.569 3.021 -24.413 1.00 61.93 O +ATOM 1680 CG ASN A 209 -13.968 -1.151 -24.980 1.00 57.85 C +ATOM 1681 ND2 ASN A 209 -14.058 -2.087 -24.043 1.00 52.60 N +ATOM 1682 OD1 ASN A 209 -14.285 -1.353 -26.155 1.00 56.91 O +ATOM 1683 N GLU A 210 -13.737 3.184 -26.320 1.00 69.19 N +ATOM 1684 CA GLU A 210 -14.067 4.604 -26.376 1.00 69.49 C +ATOM 1685 C GLU A 210 -15.235 4.936 -25.451 1.00 71.08 C +ATOM 1686 CB GLU A 210 -14.396 5.024 -27.811 1.00 64.40 C +ATOM 1687 O GLU A 210 -15.793 6.034 -25.517 1.00 69.15 O +ATOM 1688 CG GLU A 210 -13.236 4.860 -28.781 1.00 60.15 C +ATOM 1689 CD GLU A 210 -13.513 5.451 -30.154 1.00 59.73 C +ATOM 1690 OE1 GLU A 210 -14.693 5.724 -30.470 1.00 60.88 O +ATOM 1691 OE2 GLU A 210 -12.542 5.642 -30.920 1.00 54.08 O +ATOM 1692 N ASP A 211 -15.652 3.945 -24.603 1.00 75.70 N +ATOM 1693 CA ASP A 211 -16.762 4.284 -23.719 1.00 76.36 C +ATOM 1694 C ASP A 211 -16.381 5.416 -22.767 1.00 77.98 C +ATOM 1695 CB ASP A 211 -17.210 3.056 -22.924 1.00 74.63 C +ATOM 1696 O ASP A 211 -15.517 5.243 -21.904 1.00 78.47 O +ATOM 1697 CG ASP A 211 -18.414 3.329 -22.039 1.00 71.89 C +ATOM 1698 OD1 ASP A 211 -18.653 4.502 -21.678 1.00 71.96 O +ATOM 1699 OD2 ASP A 211 -19.128 2.362 -21.696 1.00 71.20 O +ATOM 1700 N PRO A 212 -16.966 6.606 -22.943 1.00 78.53 N +ATOM 1701 CA PRO A 212 -16.636 7.775 -22.125 1.00 79.47 C +ATOM 1702 C PRO A 212 -16.897 7.547 -20.637 1.00 80.21 C +ATOM 1703 CB PRO A 212 -17.557 8.865 -22.680 1.00 77.79 C +ATOM 1704 O PRO A 212 -16.221 8.137 -19.791 1.00 80.45 O +ATOM 1705 CG PRO A 212 -18.658 8.122 -23.365 1.00 77.26 C +ATOM 1706 CD PRO A 212 -18.104 6.831 -23.895 1.00 78.13 C +ATOM 1707 N GLY A 213 -17.860 6.726 -20.278 1.00 79.08 N +ATOM 1708 CA GLY A 213 -18.149 6.363 -18.900 1.00 79.07 C +ATOM 1709 C GLY A 213 -17.012 5.616 -18.228 1.00 79.38 C +ATOM 1710 O GLY A 213 -16.567 5.997 -17.143 1.00 78.34 O +ATOM 1711 N VAL A 214 -16.456 4.582 -18.861 1.00 78.53 N +ATOM 1712 CA VAL A 214 -15.322 3.812 -18.362 1.00 78.46 C +ATOM 1713 C VAL A 214 -14.109 4.726 -18.199 1.00 79.11 C +ATOM 1714 CB VAL A 214 -14.978 2.634 -19.300 1.00 77.01 C +ATOM 1715 O VAL A 214 -13.442 4.703 -17.162 1.00 78.35 O +ATOM 1716 CG1 VAL A 214 -13.712 1.921 -18.830 1.00 74.14 C +ATOM 1717 CG2 VAL A 214 -16.149 1.655 -19.376 1.00 74.20 C +ATOM 1718 N ARG A 215 -13.890 5.568 -19.121 1.00 79.41 N +ATOM 1719 CA ARG A 215 -12.790 6.526 -19.070 1.00 79.96 C +ATOM 1720 C ARG A 215 -12.949 7.479 -17.890 1.00 80.96 C +ATOM 1721 CB ARG A 215 -12.707 7.320 -20.376 1.00 78.23 C +ATOM 1722 O ARG A 215 -12.007 7.684 -17.120 1.00 81.25 O +ATOM 1723 CG ARG A 215 -11.507 8.249 -20.457 1.00 74.33 C +ATOM 1724 CD ARG A 215 -11.416 8.936 -21.812 1.00 72.41 C +ATOM 1725 NE ARG A 215 -10.254 9.817 -21.893 1.00 66.34 N +ATOM 1726 NH1 ARG A 215 -10.696 10.545 -24.041 1.00 64.07 N +ATOM 1727 NH2 ARG A 215 -8.858 11.327 -22.916 1.00 60.04 N +ATOM 1728 CZ ARG A 215 -9.939 10.561 -22.950 1.00 65.60 C +ATOM 1729 N SER A 216 -14.124 8.103 -17.786 1.00 82.39 N +ATOM 1730 CA SER A 216 -14.405 9.002 -16.672 1.00 82.96 C +ATOM 1731 C SER A 216 -14.239 8.291 -15.332 1.00 83.44 C +ATOM 1732 CB SER A 216 -15.820 9.570 -16.785 1.00 81.33 C +ATOM 1733 O SER A 216 -13.641 8.838 -14.404 1.00 83.02 O +ATOM 1734 OG SER A 216 -15.961 10.339 -17.967 1.00 77.89 O +ATOM 1735 N TYR A 217 -14.671 7.086 -15.193 1.00 83.03 N +ATOM 1736 CA TYR A 217 -14.512 6.276 -13.991 1.00 83.24 C +ATOM 1737 C TYR A 217 -13.039 6.024 -13.693 1.00 83.19 C +ATOM 1738 CB TYR A 217 -15.250 4.943 -14.139 1.00 82.29 C +ATOM 1739 O TYR A 217 -12.582 6.232 -12.567 1.00 82.24 O +ATOM 1740 CG TYR A 217 -14.932 3.948 -13.050 1.00 81.54 C +ATOM 1741 CD1 TYR A 217 -15.412 4.127 -11.754 1.00 80.14 C +ATOM 1742 CD2 TYR A 217 -14.151 2.828 -13.313 1.00 80.58 C +ATOM 1743 CE1 TYR A 217 -15.119 3.214 -10.746 1.00 79.96 C +ATOM 1744 CE2 TYR A 217 -13.852 1.908 -12.313 1.00 80.17 C +ATOM 1745 OH TYR A 217 -14.048 1.202 -10.041 1.00 77.22 O +ATOM 1746 CZ TYR A 217 -14.341 2.109 -11.035 1.00 76.92 C +ATOM 1747 N MET A 218 -12.253 5.721 -14.637 1.00 82.83 N +ATOM 1748 CA MET A 218 -10.833 5.432 -14.459 1.00 82.88 C +ATOM 1749 C MET A 218 -10.072 6.685 -14.036 1.00 83.65 C +ATOM 1750 CB MET A 218 -10.233 4.866 -15.746 1.00 81.25 C +ATOM 1751 O MET A 218 -9.241 6.634 -13.127 1.00 83.00 O +ATOM 1752 CG MET A 218 -10.638 3.429 -16.031 1.00 76.43 C +ATOM 1753 SD MET A 218 -10.003 2.256 -14.772 1.00 75.33 S +ATOM 1754 CE MET A 218 -10.690 0.701 -15.407 1.00 66.06 C +ATOM 1755 N VAL A 219 -10.346 7.811 -14.691 1.00 84.15 N +ATOM 1756 CA VAL A 219 -9.769 9.090 -14.290 1.00 84.90 C +ATOM 1757 C VAL A 219 -10.144 9.395 -12.842 1.00 85.71 C +ATOM 1758 CB VAL A 219 -10.236 10.238 -15.214 1.00 84.03 C +ATOM 1759 O VAL A 219 -9.279 9.727 -12.027 1.00 85.92 O +ATOM 1760 CG1 VAL A 219 -9.800 11.591 -14.656 1.00 84.26 C +ATOM 1761 CG2 VAL A 219 -9.691 10.038 -16.628 1.00 83.73 C +ATOM 1762 N THR A 220 -11.387 9.195 -12.498 1.00 86.25 N +ATOM 1763 CA THR A 220 -11.847 9.442 -11.136 1.00 87.07 C +ATOM 1764 C THR A 220 -11.181 8.480 -10.156 1.00 87.21 C +ATOM 1765 CB THR A 220 -13.378 9.308 -11.031 1.00 85.70 C +ATOM 1766 O THR A 220 -10.681 8.899 -9.110 1.00 86.76 O +ATOM 1767 CG2 THR A 220 -13.865 9.654 -9.628 1.00 81.18 C +ATOM 1768 OG1 THR A 220 -13.995 10.195 -11.972 1.00 85.51 O +ATOM 1769 N LEU A 221 -11.114 7.160 -10.452 1.00 86.85 N +ATOM 1770 CA LEU A 221 -10.424 6.150 -9.657 1.00 86.80 C +ATOM 1771 C LEU A 221 -8.960 6.525 -9.454 1.00 87.17 C +ATOM 1772 CB LEU A 221 -10.523 4.778 -10.330 1.00 85.41 C +ATOM 1773 O LEU A 221 -8.463 6.515 -8.325 1.00 86.45 O +ATOM 1774 CG LEU A 221 -9.975 3.592 -9.535 1.00 80.72 C +ATOM 1775 CD1 LEU A 221 -10.929 3.227 -8.402 1.00 76.60 C +ATOM 1776 CD2 LEU A 221 -9.742 2.396 -10.451 1.00 76.62 C +ATOM 1777 N MET A 222 -8.297 7.007 -10.395 1.00 87.39 N +ATOM 1778 CA MET A 222 -6.893 7.402 -10.332 1.00 87.59 C +ATOM 1779 C MET A 222 -6.713 8.638 -9.456 1.00 88.67 C +ATOM 1780 CB MET A 222 -6.347 7.673 -11.735 1.00 84.99 C +ATOM 1781 O MET A 222 -5.830 8.673 -8.598 1.00 88.13 O +ATOM 1782 CG MET A 222 -6.116 6.414 -12.556 1.00 75.31 C +ATOM 1783 SD MET A 222 -4.883 5.292 -11.790 1.00 69.05 S +ATOM 1784 CE MET A 222 -5.364 3.718 -12.554 1.00 62.42 C +ATOM 1785 N LEU A 223 -7.492 9.650 -9.685 1.00 88.09 N +ATOM 1786 CA LEU A 223 -7.436 10.878 -8.899 1.00 89.21 C +ATOM 1787 C LEU A 223 -7.683 10.590 -7.422 1.00 89.94 C +ATOM 1788 CB LEU A 223 -8.463 11.890 -9.413 1.00 87.97 C +ATOM 1789 O LEU A 223 -6.917 11.032 -6.563 1.00 90.07 O +ATOM 1790 CG LEU A 223 -8.153 12.549 -10.757 1.00 84.63 C +ATOM 1791 CD1 LEU A 223 -9.338 13.389 -11.222 1.00 81.95 C +ATOM 1792 CD2 LEU A 223 -6.893 13.402 -10.657 1.00 82.57 C +ATOM 1793 N THR A 224 -8.648 9.711 -7.140 1.00 90.89 N +ATOM 1794 CA THR A 224 -9.135 9.546 -5.775 1.00 91.11 C +ATOM 1795 C THR A 224 -8.373 8.433 -5.061 1.00 90.63 C +ATOM 1796 CB THR A 224 -10.643 9.236 -5.753 1.00 89.79 C +ATOM 1797 O THR A 224 -8.207 8.472 -3.840 1.00 89.39 O +ATOM 1798 CG2 THR A 224 -11.455 10.418 -6.270 1.00 85.03 C +ATOM 1799 OG1 THR A 224 -10.902 8.094 -6.580 1.00 87.28 O +ATOM 1800 N CYS A 225 -7.814 7.429 -5.778 1.00 89.27 N +ATOM 1801 CA CYS A 225 -7.220 6.255 -5.148 1.00 89.11 C +ATOM 1802 C CYS A 225 -5.700 6.295 -5.242 1.00 87.62 C +ATOM 1803 CB CYS A 225 -7.747 4.975 -5.795 1.00 87.07 C +ATOM 1804 O CYS A 225 -5.008 5.616 -4.481 1.00 84.39 O +ATOM 1805 SG CYS A 225 -9.534 4.764 -5.642 1.00 86.23 S +ATOM 1806 N CYS A 226 -5.161 7.146 -6.174 1.00 88.44 N +ATOM 1807 CA CYS A 226 -3.712 7.223 -6.316 1.00 88.33 C +ATOM 1808 C CYS A 226 -3.211 8.637 -6.043 1.00 88.78 C +ATOM 1809 CB CYS A 226 -3.287 6.784 -7.717 1.00 86.29 C +ATOM 1810 O CYS A 226 -2.509 8.871 -5.058 1.00 87.44 O +ATOM 1811 SG CYS A 226 -3.762 5.090 -8.124 1.00 84.40 S +ATOM 1812 N ILE A 227 -3.629 9.664 -6.772 1.00 88.31 N +ATOM 1813 CA ILE A 227 -3.062 11.008 -6.744 1.00 89.08 C +ATOM 1814 C ILE A 227 -3.410 11.687 -5.421 1.00 89.89 C +ATOM 1815 CB ILE A 227 -3.564 11.859 -7.932 1.00 88.32 C +ATOM 1816 O ILE A 227 -2.542 12.272 -4.769 1.00 89.97 O +ATOM 1817 CG1 ILE A 227 -3.067 11.271 -9.257 1.00 87.78 C +ATOM 1818 CG2 ILE A 227 -3.118 13.316 -7.778 1.00 87.37 C +ATOM 1819 CD1 ILE A 227 -3.611 11.978 -10.491 1.00 85.54 C +ATOM 1820 N LEU A 228 -4.686 11.586 -4.971 1.00 91.96 N +ATOM 1821 CA LEU A 228 -5.130 12.241 -3.745 1.00 92.47 C +ATOM 1822 C LEU A 228 -4.429 11.649 -2.527 1.00 92.83 C +ATOM 1823 CB LEU A 228 -6.647 12.112 -3.588 1.00 91.58 C +ATOM 1824 O LEU A 228 -3.778 12.371 -1.768 1.00 92.52 O +ATOM 1825 CG LEU A 228 -7.243 12.652 -2.287 1.00 88.80 C +ATOM 1826 CD1 LEU A 228 -6.981 14.149 -2.165 1.00 86.15 C +ATOM 1827 CD2 LEU A 228 -8.737 12.357 -2.220 1.00 86.35 C +ATOM 1828 N PRO A 229 -4.410 10.283 -2.276 1.00 90.95 N +ATOM 1829 CA PRO A 229 -3.653 9.729 -1.151 1.00 91.11 C +ATOM 1830 C PRO A 229 -2.172 10.095 -1.200 1.00 90.66 C +ATOM 1831 CB PRO A 229 -3.848 8.218 -1.305 1.00 90.05 C +ATOM 1832 O PRO A 229 -1.603 10.518 -0.190 1.00 89.68 O +ATOM 1833 CG PRO A 229 -5.158 8.072 -2.009 1.00 88.10 C +ATOM 1834 CD PRO A 229 -5.340 9.245 -2.928 1.00 87.58 C +ATOM 1835 N LEU A 230 -1.578 10.169 -2.356 1.00 89.10 N +ATOM 1836 CA LEU A 230 -0.173 10.525 -2.518 1.00 88.72 C +ATOM 1837 C LEU A 230 0.065 11.985 -2.147 1.00 89.52 C +ATOM 1838 CB LEU A 230 0.282 10.272 -3.959 1.00 86.08 C +ATOM 1839 O LEU A 230 1.013 12.300 -1.425 1.00 88.89 O +ATOM 1840 CG LEU A 230 1.744 10.592 -4.274 1.00 77.15 C +ATOM 1841 CD1 LEU A 230 2.670 9.749 -3.405 1.00 70.75 C +ATOM 1842 CD2 LEU A 230 2.034 10.363 -5.754 1.00 70.77 C +ATOM 1843 N SER A 231 -0.748 12.797 -2.616 1.00 90.26 N +ATOM 1844 CA SER A 231 -0.658 14.220 -2.307 1.00 90.87 C +ATOM 1845 C SER A 231 -0.789 14.470 -0.809 1.00 91.12 C +ATOM 1846 CB SER A 231 -1.736 15.002 -3.060 1.00 90.13 C +ATOM 1847 O SER A 231 -0.028 15.253 -0.235 1.00 90.88 O +ATOM 1848 OG SER A 231 -1.594 14.834 -4.460 1.00 88.81 O +ATOM 1849 N VAL A 232 -1.676 13.749 -0.122 1.00 91.17 N +ATOM 1850 CA VAL A 232 -1.878 13.853 1.319 1.00 91.60 C +ATOM 1851 C VAL A 232 -0.655 13.308 2.053 1.00 91.53 C +ATOM 1852 CB VAL A 232 -3.149 13.100 1.770 1.00 91.32 C +ATOM 1853 O VAL A 232 -0.142 13.945 2.976 1.00 91.09 O +ATOM 1854 CG1 VAL A 232 -3.252 13.079 3.294 1.00 90.74 C +ATOM 1855 CG2 VAL A 232 -4.394 13.738 1.156 1.00 90.20 C +ATOM 1856 N ILE A 233 -0.113 12.159 1.651 1.00 88.56 N +ATOM 1857 CA ILE A 233 1.084 11.557 2.229 1.00 88.54 C +ATOM 1858 C ILE A 233 2.260 12.522 2.102 1.00 88.01 C +ATOM 1859 CB ILE A 233 1.421 10.209 1.554 1.00 88.03 C +ATOM 1860 O ILE A 233 2.896 12.870 3.100 1.00 86.98 O +ATOM 1861 CG1 ILE A 233 0.399 9.140 1.956 1.00 87.07 C +ATOM 1862 CG2 ILE A 233 2.844 9.768 1.910 1.00 86.50 C +ATOM 1863 CD1 ILE A 233 0.431 7.893 1.083 1.00 85.75 C +ATOM 1864 N ILE A 234 2.544 13.044 0.903 1.00 87.86 N +ATOM 1865 CA ILE A 234 3.631 13.979 0.635 1.00 88.08 C +ATOM 1866 C ILE A 234 3.444 15.241 1.475 1.00 88.37 C +ATOM 1867 CB ILE A 234 3.709 14.340 -0.865 1.00 87.37 C +ATOM 1868 O ILE A 234 4.368 15.677 2.165 1.00 88.01 O +ATOM 1869 CG1 ILE A 234 4.200 13.138 -1.679 1.00 86.47 C +ATOM 1870 CG2 ILE A 234 4.615 15.555 -1.081 1.00 85.95 C +ATOM 1871 CD1 ILE A 234 4.017 13.291 -3.182 1.00 84.60 C +ATOM 1872 N PHE A 235 2.247 15.808 1.539 1.00 90.16 N +ATOM 1873 CA PHE A 235 1.918 16.990 2.327 1.00 90.78 C +ATOM 1874 C PHE A 235 2.169 16.740 3.809 1.00 90.57 C +ATOM 1875 CB PHE A 235 0.459 17.399 2.103 1.00 90.71 C +ATOM 1876 O PHE A 235 2.871 17.513 4.464 1.00 90.14 O +ATOM 1877 CG PHE A 235 -0.003 18.516 3.000 1.00 91.12 C +ATOM 1878 CD1 PHE A 235 0.337 19.834 2.722 1.00 90.71 C +ATOM 1879 CD2 PHE A 235 -0.778 18.247 4.120 1.00 90.79 C +ATOM 1880 CE1 PHE A 235 -0.089 20.870 3.550 1.00 90.32 C +ATOM 1881 CE2 PHE A 235 -1.208 19.277 4.952 1.00 90.74 C +ATOM 1882 CZ PHE A 235 -0.861 20.587 4.666 1.00 90.42 C +ATOM 1883 N CYS A 236 1.641 15.653 4.385 1.00 89.07 N +ATOM 1884 CA CYS A 236 1.828 15.275 5.781 1.00 89.29 C +ATOM 1885 C CYS A 236 3.309 15.167 6.123 1.00 88.69 C +ATOM 1886 CB CYS A 236 1.129 13.948 6.075 1.00 88.56 C +ATOM 1887 O CYS A 236 3.763 15.732 7.120 1.00 87.48 O +ATOM 1888 SG CYS A 236 -0.671 14.076 6.157 1.00 92.31 S +ATOM 1889 N TYR A 237 4.053 14.547 5.233 1.00 87.00 N +ATOM 1890 CA TYR A 237 5.461 14.301 5.524 1.00 86.63 C +ATOM 1891 C TYR A 237 6.283 15.574 5.362 1.00 86.20 C +ATOM 1892 CB TYR A 237 6.015 13.203 4.610 1.00 85.54 C +ATOM 1893 O TYR A 237 7.204 15.829 6.140 1.00 84.76 O +ATOM 1894 CG TYR A 237 5.731 11.804 5.101 1.00 83.47 C +ATOM 1895 CD1 TYR A 237 6.244 11.353 6.316 1.00 80.65 C +ATOM 1896 CD2 TYR A 237 4.950 10.930 4.352 1.00 80.77 C +ATOM 1897 CE1 TYR A 237 5.986 10.065 6.771 1.00 79.61 C +ATOM 1898 CE2 TYR A 237 4.686 9.640 4.798 1.00 79.54 C +ATOM 1899 OH TYR A 237 4.948 7.940 6.453 1.00 74.62 O +ATOM 1900 CZ TYR A 237 5.207 9.217 6.007 1.00 77.24 C +ATOM 1901 N ILE A 238 6.008 16.539 4.445 1.00 87.20 N +ATOM 1902 CA ILE A 238 6.605 17.867 4.351 1.00 87.52 C +ATOM 1903 C ILE A 238 6.320 18.653 5.629 1.00 87.52 C +ATOM 1904 CB ILE A 238 6.079 18.638 3.119 1.00 87.04 C +ATOM 1905 O ILE A 238 7.229 19.240 6.220 1.00 87.11 O +ATOM 1906 CG1 ILE A 238 6.631 18.022 1.828 1.00 87.60 C +ATOM 1907 CG2 ILE A 238 6.441 20.122 3.216 1.00 86.97 C +ATOM 1908 CD1 ILE A 238 5.971 18.546 0.561 1.00 86.27 C +ATOM 1909 N CYS A 239 5.112 18.632 6.190 1.00 89.01 N +ATOM 1910 CA CYS A 239 4.730 19.310 7.424 1.00 89.29 C +ATOM 1911 C CYS A 239 5.480 18.732 8.618 1.00 88.79 C +ATOM 1912 CB CYS A 239 3.223 19.197 7.654 1.00 88.44 C +ATOM 1913 O CYS A 239 6.007 19.478 9.446 1.00 87.83 O +ATOM 1914 SG CYS A 239 2.237 20.204 6.525 1.00 92.70 S +ATOM 1915 N VAL A 240 5.607 17.339 8.719 1.00 86.71 N +ATOM 1916 CA VAL A 240 6.359 16.645 9.759 1.00 86.49 C +ATOM 1917 C VAL A 240 7.830 17.050 9.692 1.00 85.71 C +ATOM 1918 CB VAL A 240 6.222 15.111 9.631 1.00 85.79 C +ATOM 1919 O VAL A 240 8.426 17.418 10.706 1.00 84.20 O +ATOM 1920 CG1 VAL A 240 7.265 14.402 10.493 1.00 84.63 C +ATOM 1921 CG2 VAL A 240 4.813 14.668 10.020 1.00 83.83 C +ATOM 1922 N TRP A 241 8.420 17.065 8.513 1.00 85.41 N +ATOM 1923 CA TRP A 241 9.808 17.456 8.289 1.00 86.39 C +ATOM 1924 C TRP A 241 10.033 18.912 8.681 1.00 85.41 C +ATOM 1925 CB TRP A 241 10.198 17.242 6.824 1.00 84.53 C +ATOM 1926 O TRP A 241 10.987 19.230 9.395 1.00 83.60 O +ATOM 1927 CG TRP A 241 11.565 17.751 6.477 1.00 80.48 C +ATOM 1928 CD1 TRP A 241 12.764 17.184 6.808 1.00 76.74 C +ATOM 1929 CD2 TRP A 241 11.872 18.935 5.734 1.00 78.60 C +ATOM 1930 CE2 TRP A 241 13.280 19.023 5.652 1.00 81.21 C +ATOM 1931 CE3 TRP A 241 11.093 19.930 5.128 1.00 80.24 C +ATOM 1932 NE1 TRP A 241 13.799 17.944 6.315 1.00 79.49 N +ATOM 1933 CH2 TRP A 241 13.139 21.029 4.403 1.00 80.03 C +ATOM 1934 CZ2 TRP A 241 13.925 20.069 4.988 1.00 79.71 C +ATOM 1935 CZ3 TRP A 241 11.737 20.969 4.467 1.00 79.91 C +ATOM 1936 N MET A 242 9.169 19.895 8.324 1.00 87.21 N +ATOM 1937 CA MET A 242 9.232 21.310 8.680 1.00 87.46 C +ATOM 1938 C MET A 242 9.106 21.498 10.188 1.00 86.69 C +ATOM 1939 CB MET A 242 8.134 22.095 7.961 1.00 86.79 C +ATOM 1940 O MET A 242 9.850 22.278 10.785 1.00 85.77 O +ATOM 1941 CG MET A 242 8.376 22.263 6.469 1.00 86.05 C +ATOM 1942 SD MET A 242 7.176 23.410 5.687 1.00 90.69 S +ATOM 1943 CE MET A 242 5.636 22.486 5.943 1.00 84.44 C +ATOM 1944 N ALA A 243 8.219 20.764 10.890 1.00 86.71 N +ATOM 1945 CA ALA A 243 8.011 20.826 12.335 1.00 86.43 C +ATOM 1946 C ALA A 243 9.249 20.349 13.089 1.00 85.62 C +ATOM 1947 CB ALA A 243 6.795 19.994 12.734 1.00 85.50 C +ATOM 1948 O ALA A 243 9.729 21.029 13.999 1.00 84.28 O +ATOM 1949 N ILE A 244 9.824 19.181 12.685 1.00 84.31 N +ATOM 1950 CA ILE A 244 11.029 18.634 13.297 1.00 83.87 C +ATOM 1951 C ILE A 244 12.198 19.594 13.084 1.00 83.45 C +ATOM 1952 CB ILE A 244 11.370 17.239 12.724 1.00 82.94 C +ATOM 1953 O ILE A 244 12.966 19.862 14.011 1.00 82.10 O +ATOM 1954 CG1 ILE A 244 10.325 16.210 13.168 1.00 80.83 C +ATOM 1955 CG2 ILE A 244 12.778 16.810 13.150 1.00 80.39 C +ATOM 1956 CD1 ILE A 244 10.423 14.876 12.441 1.00 78.34 C +ATOM 1957 N ARG A 245 12.363 20.249 11.927 1.00 84.51 N +ATOM 1958 CA ARG A 245 13.398 21.233 11.624 1.00 84.49 C +ATOM 1959 C ARG A 245 13.230 22.484 12.480 1.00 84.32 C +ATOM 1960 CB ARG A 245 13.368 21.606 10.140 1.00 82.66 C +ATOM 1961 O ARG A 245 14.213 23.035 12.982 1.00 83.76 O +ATOM 1962 CG ARG A 245 14.143 20.649 9.249 1.00 78.27 C +ATOM 1963 CD ARG A 245 14.305 21.198 7.838 1.00 76.79 C +ATOM 1964 NE ARG A 245 15.340 20.483 7.097 1.00 73.24 N +ATOM 1965 NH1 ARG A 245 15.393 21.970 5.330 1.00 72.50 N +ATOM 1966 NH2 ARG A 245 16.774 20.140 5.336 1.00 69.23 N +ATOM 1967 CZ ARG A 245 15.833 20.866 5.923 1.00 70.33 C +ATOM 1968 N ALA A 246 12.020 22.947 12.700 1.00 86.85 N +ATOM 1969 CA ALA A 246 11.742 24.091 13.565 1.00 86.76 C +ATOM 1970 C ALA A 246 12.156 23.804 15.005 1.00 85.78 C +ATOM 1971 CB ALA A 246 10.261 24.457 13.503 1.00 85.81 C +ATOM 1972 O ALA A 246 12.851 24.609 15.630 1.00 84.60 O +ATOM 1973 N VAL A 247 11.872 22.569 15.557 1.00 83.99 N +ATOM 1974 CA VAL A 247 12.260 22.136 16.896 1.00 83.40 C +ATOM 1975 C VAL A 247 13.777 21.982 16.970 1.00 82.77 C +ATOM 1976 CB VAL A 247 11.570 20.809 17.285 1.00 82.34 C +ATOM 1977 O VAL A 247 14.411 22.464 17.912 1.00 81.38 O +ATOM 1978 CG1 VAL A 247 12.123 20.280 18.607 1.00 79.97 C +ATOM 1979 CG2 VAL A 247 10.057 21.000 17.373 1.00 79.36 C +ATOM 1980 N ALA A 248 14.435 21.422 15.902 1.00 83.12 N +ATOM 1981 CA ALA A 248 15.880 21.221 15.835 1.00 83.34 C +ATOM 1982 C ALA A 248 16.618 22.555 15.775 1.00 83.21 C +ATOM 1983 CB ALA A 248 16.242 20.362 14.626 1.00 81.80 C +ATOM 1984 O ALA A 248 17.726 22.683 16.301 1.00 82.71 O +ATOM 1985 N GLN A 249 16.044 23.614 15.226 1.00 86.42 N +ATOM 1986 CA GLN A 249 16.610 24.957 15.164 1.00 86.77 C +ATOM 1987 C GLN A 249 16.513 25.658 16.516 1.00 86.05 C +ATOM 1988 CB GLN A 249 15.905 25.788 14.090 1.00 85.45 C +ATOM 1989 O GLN A 249 17.395 26.438 16.881 1.00 85.47 O +ATOM 1990 CG GLN A 249 16.356 25.469 12.671 1.00 82.30 C +ATOM 1991 CD GLN A 249 15.571 26.231 11.620 1.00 80.73 C +ATOM 1992 NE2 GLN A 249 15.989 26.112 10.365 1.00 82.39 N +ATOM 1993 OE1 GLN A 249 14.595 26.921 11.934 1.00 82.89 O +ATOM 1994 N GLN A 250 15.440 25.270 17.340 1.00 87.31 N +ATOM 1995 CA GLN A 250 15.246 25.824 18.676 1.00 86.84 C +ATOM 1996 C GLN A 250 16.127 25.113 19.700 1.00 85.24 C +ATOM 1997 CB GLN A 250 13.777 25.725 19.091 1.00 85.77 C +ATOM 1998 O GLN A 250 16.600 25.732 20.656 1.00 83.84 O +ATOM 1999 CG GLN A 250 12.859 26.673 18.331 1.00 83.35 C +ATOM 2000 CD GLN A 250 11.393 26.462 18.663 1.00 81.06 C +ATOM 2001 NE2 GLN A 250 10.541 27.360 18.179 1.00 83.09 N +ATOM 2002 OE1 GLN A 250 11.030 25.501 19.348 1.00 82.99 O +ATOM 2003 N GLN A 251 16.391 23.778 19.422 1.00 84.62 N +ATOM 2004 CA GLN A 251 17.125 22.928 20.353 1.00 84.28 C +ATOM 2005 C GLN A 251 18.439 22.450 19.742 1.00 84.40 C +ATOM 2006 CB GLN A 251 16.274 21.728 20.771 1.00 81.31 C +ATOM 2007 O GLN A 251 18.753 21.258 19.784 1.00 81.34 O +ATOM 2008 CG GLN A 251 15.056 22.100 21.606 1.00 78.87 C +ATOM 2009 CD GLN A 251 14.280 20.887 22.084 1.00 75.40 C +ATOM 2010 NE2 GLN A 251 13.449 21.079 23.103 1.00 77.80 N +ATOM 2011 OE1 GLN A 251 14.424 19.787 21.541 1.00 77.68 O +ATOM 2012 N LYS A 252 19.243 23.370 19.225 1.00 86.94 N +ATOM 2013 CA LYS A 252 20.442 23.119 18.431 1.00 85.64 C +ATOM 2014 C LYS A 252 21.413 22.206 19.174 1.00 83.80 C +ATOM 2015 CB LYS A 252 21.133 24.435 18.070 1.00 83.26 C +ATOM 2016 O LYS A 252 22.169 21.458 18.552 1.00 80.51 O +ATOM 2017 CG LYS A 252 20.460 25.198 16.939 1.00 81.88 C +ATOM 2018 CD LYS A 252 21.240 26.453 16.569 1.00 81.32 C +ATOM 2019 CE LYS A 252 20.596 27.189 15.402 1.00 80.44 C +ATOM 2020 NZ LYS A 252 21.335 28.442 15.062 1.00 81.00 N +ATOM 2021 N ASP A 253 21.266 22.233 20.560 1.00 82.65 N +ATOM 2022 CA ASP A 253 22.261 21.572 21.400 1.00 84.65 C +ATOM 2023 C ASP A 253 21.812 20.162 21.776 1.00 83.16 C +ATOM 2024 CB ASP A 253 22.528 22.393 22.663 1.00 79.16 C +ATOM 2025 O ASP A 253 22.576 19.400 22.372 1.00 79.28 O +ATOM 2026 CG ASP A 253 23.020 23.798 22.364 1.00 76.85 C +ATOM 2027 OD1 ASP A 253 23.758 23.988 21.373 1.00 77.45 O +ATOM 2028 OD2 ASP A 253 22.670 24.724 23.128 1.00 84.67 O +ATOM 2029 N SER A 254 20.634 19.834 21.341 1.00 84.28 N +ATOM 2030 CA SER A 254 20.147 18.500 21.678 1.00 83.55 C +ATOM 2031 C SER A 254 20.450 17.504 20.564 1.00 84.69 C +ATOM 2032 CB SER A 254 18.643 18.531 21.951 1.00 81.11 C +ATOM 2033 O SER A 254 19.694 17.400 19.595 1.00 82.55 O +ATOM 2034 OG SER A 254 18.174 17.248 22.328 1.00 75.57 O +ATOM 2035 N GLU A 255 21.567 16.729 20.660 1.00 83.10 N +ATOM 2036 CA GLU A 255 21.977 15.643 19.775 1.00 83.46 C +ATOM 2037 C GLU A 255 20.837 14.654 19.551 1.00 83.10 C +ATOM 2038 CB GLU A 255 23.199 14.918 20.344 1.00 81.36 C +ATOM 2039 O GLU A 255 20.654 14.150 18.441 1.00 81.85 O +ATOM 2040 CG GLU A 255 23.838 13.935 19.374 1.00 78.12 C +ATOM 2041 CD GLU A 255 24.996 13.158 19.982 1.00 77.91 C +ATOM 2042 OE1 GLU A 255 25.420 13.488 21.112 1.00 78.09 O +ATOM 2043 OE2 GLU A 255 25.482 12.214 19.321 1.00 78.06 O +ATOM 2044 N SER A 256 20.023 14.378 20.525 1.00 80.27 N +ATOM 2045 CA SER A 256 18.876 13.478 20.475 1.00 80.07 C +ATOM 2046 C SER A 256 17.830 13.971 19.480 1.00 80.81 C +ATOM 2047 CB SER A 256 18.245 13.335 21.861 1.00 78.54 C +ATOM 2048 O SER A 256 17.312 13.191 18.678 1.00 80.03 O +ATOM 2049 OG SER A 256 17.764 14.584 22.326 1.00 74.35 O +ATOM 2050 N THR A 257 17.544 15.268 19.430 1.00 77.40 N +ATOM 2051 CA THR A 257 16.581 15.873 18.517 1.00 77.70 C +ATOM 2052 C THR A 257 17.083 15.804 17.078 1.00 78.59 C +ATOM 2053 CB THR A 257 16.296 17.338 18.894 1.00 75.49 C +ATOM 2054 O THR A 257 16.341 15.415 16.173 1.00 78.57 O +ATOM 2055 CG2 THR A 257 15.244 17.949 17.974 1.00 70.60 C +ATOM 2056 OG1 THR A 257 15.824 17.394 20.246 1.00 72.30 O +ATOM 2057 N GLN A 258 18.441 16.115 16.880 1.00 79.39 N +ATOM 2058 CA GLN A 258 19.033 16.024 15.549 1.00 80.11 C +ATOM 2059 C GLN A 258 18.992 14.591 15.026 1.00 79.59 C +ATOM 2060 CB GLN A 258 20.474 16.537 15.566 1.00 78.31 C +ATOM 2061 O GLN A 258 18.708 14.363 13.848 1.00 79.27 O +ATOM 2062 CG GLN A 258 20.592 18.032 15.826 1.00 77.60 C +ATOM 2063 CD GLN A 258 22.020 18.534 15.727 1.00 77.40 C +ATOM 2064 NE2 GLN A 258 22.247 19.767 16.168 1.00 81.74 N +ATOM 2065 OE1 GLN A 258 22.912 17.820 15.260 1.00 80.51 O +ATOM 2066 N LYS A 259 19.219 13.646 15.861 1.00 83.35 N +ATOM 2067 CA LYS A 259 19.146 12.232 15.504 1.00 82.93 C +ATOM 2068 C LYS A 259 17.716 11.825 15.159 1.00 82.87 C +ATOM 2069 CB LYS A 259 19.678 11.362 16.644 1.00 81.28 C +ATOM 2070 O LYS A 259 17.476 11.193 14.129 1.00 81.44 O +ATOM 2071 CG LYS A 259 19.747 9.879 16.311 1.00 77.20 C +ATOM 2072 CD LYS A 259 20.377 9.080 17.445 1.00 76.35 C +ATOM 2073 CE LYS A 259 20.447 7.596 17.112 1.00 70.81 C +ATOM 2074 NZ LYS A 259 21.110 6.815 18.200 1.00 69.36 N +ATOM 2075 N ALA A 260 16.791 12.215 15.918 1.00 77.17 N +ATOM 2076 CA ALA A 260 15.381 11.947 15.650 1.00 76.51 C +ATOM 2077 C ALA A 260 14.942 12.583 14.334 1.00 77.63 C +ATOM 2078 CB ALA A 260 14.514 12.458 16.799 1.00 75.21 C +ATOM 2079 O ALA A 260 14.274 11.941 13.520 1.00 76.74 O +ATOM 2080 N GLU A 261 15.423 13.839 14.052 1.00 75.46 N +ATOM 2081 CA GLU A 261 15.167 14.524 12.788 1.00 75.36 C +ATOM 2082 C GLU A 261 15.706 13.723 11.607 1.00 76.13 C +ATOM 2083 CB GLU A 261 15.786 15.924 12.801 1.00 72.96 C +ATOM 2084 O GLU A 261 14.985 13.473 10.639 1.00 74.98 O +ATOM 2085 CG GLU A 261 15.436 16.762 11.580 1.00 70.97 C +ATOM 2086 CD GLU A 261 16.177 18.089 11.531 1.00 69.59 C +ATOM 2087 OE1 GLU A 261 16.870 18.434 12.515 1.00 72.62 O +ATOM 2088 OE2 GLU A 261 16.061 18.790 10.501 1.00 71.00 O +ATOM 2089 N LYS A 262 16.876 13.287 11.685 1.00 82.21 N +ATOM 2090 CA LYS A 262 17.529 12.538 10.615 1.00 82.05 C +ATOM 2091 C LYS A 262 16.841 11.196 10.383 1.00 81.74 C +ATOM 2092 CB LYS A 262 19.008 12.319 10.939 1.00 80.24 C +ATOM 2093 O LYS A 262 16.649 10.781 9.239 1.00 80.66 O +ATOM 2094 CG LYS A 262 19.877 13.549 10.723 1.00 77.29 C +ATOM 2095 CD LYS A 262 21.311 13.307 11.178 1.00 77.34 C +ATOM 2096 CE LYS A 262 22.166 14.557 11.023 1.00 74.31 C +ATOM 2097 NZ LYS A 262 23.539 14.362 11.579 1.00 74.39 N +ATOM 2098 N GLU A 263 16.382 10.514 11.422 1.00 82.48 N +ATOM 2099 CA GLU A 263 15.701 9.227 11.316 1.00 81.74 C +ATOM 2100 C GLU A 263 14.326 9.381 10.674 1.00 82.60 C +ATOM 2101 CB GLU A 263 15.568 8.574 12.695 1.00 79.64 C +ATOM 2102 O GLU A 263 13.990 8.660 9.732 1.00 81.48 O +ATOM 2103 CG GLU A 263 16.860 7.958 13.211 1.00 73.16 C +ATOM 2104 CD GLU A 263 16.680 7.189 14.511 1.00 71.17 C +ATOM 2105 OE1 GLU A 263 15.580 7.250 15.105 1.00 68.19 O +ATOM 2106 OE2 GLU A 263 17.648 6.521 14.938 1.00 66.38 O +ATOM 2107 N VAL A 264 13.591 10.359 11.029 1.00 75.73 N +ATOM 2108 CA VAL A 264 12.262 10.616 10.484 1.00 75.37 C +ATOM 2109 C VAL A 264 12.379 11.107 9.043 1.00 76.45 C +ATOM 2110 CB VAL A 264 11.488 11.646 11.338 1.00 73.77 C +ATOM 2111 O VAL A 264 11.680 10.615 8.154 1.00 75.74 O +ATOM 2112 CG1 VAL A 264 10.194 12.062 10.640 1.00 71.84 C +ATOM 2113 CG2 VAL A 264 11.192 11.075 12.723 1.00 72.49 C +ATOM 2114 N SER A 265 13.301 12.072 8.800 1.00 78.03 N +ATOM 2115 CA SER A 265 13.537 12.543 7.439 1.00 78.05 C +ATOM 2116 C SER A 265 13.896 11.389 6.509 1.00 78.78 C +ATOM 2117 CB SER A 265 14.652 13.589 7.420 1.00 76.24 C +ATOM 2118 O SER A 265 13.331 11.263 5.421 1.00 78.25 O +ATOM 2119 OG SER A 265 14.292 14.722 8.192 1.00 75.09 O +ATOM 2120 N ARG A 266 14.771 10.586 6.953 1.00 84.59 N +ATOM 2121 CA ARG A 266 15.161 9.401 6.197 1.00 84.30 C +ATOM 2122 C ARG A 266 13.967 8.482 5.964 1.00 84.04 C +ATOM 2123 CB ARG A 266 16.273 8.641 6.923 1.00 82.78 C +ATOM 2124 O ARG A 266 13.763 7.989 4.853 1.00 82.95 O +ATOM 2125 CG ARG A 266 16.825 7.460 6.141 1.00 79.53 C +ATOM 2126 CD ARG A 266 17.947 6.759 6.894 1.00 79.53 C +ATOM 2127 NE ARG A 266 18.426 5.582 6.175 1.00 74.93 N +ATOM 2128 NH1 ARG A 266 20.029 5.022 7.741 1.00 74.05 N +ATOM 2129 NH2 ARG A 266 19.761 3.740 5.860 1.00 71.75 N +ATOM 2130 CZ ARG A 266 19.404 4.784 6.594 1.00 73.49 C +ATOM 2131 N MET A 267 13.168 8.265 6.903 1.00 80.44 N +ATOM 2132 CA MET A 267 11.967 7.442 6.800 1.00 79.76 C +ATOM 2133 C MET A 267 11.003 8.011 5.764 1.00 80.30 C +ATOM 2134 CB MET A 267 11.270 7.334 8.158 1.00 77.98 C +ATOM 2135 O MET A 267 10.522 7.284 4.893 1.00 78.40 O +ATOM 2136 CG MET A 267 10.060 6.414 8.156 1.00 72.65 C +ATOM 2137 SD MET A 267 9.222 6.351 9.787 1.00 69.05 S +ATOM 2138 CE MET A 267 8.444 7.990 9.811 1.00 63.80 C +ATOM 2139 N VAL A 268 10.773 9.285 5.792 1.00 76.65 N +ATOM 2140 CA VAL A 268 9.886 9.994 4.875 1.00 76.36 C +ATOM 2141 C VAL A 268 10.379 9.822 3.441 1.00 77.48 C +ATOM 2142 CB VAL A 268 9.786 11.495 5.229 1.00 74.38 C +ATOM 2143 O VAL A 268 9.616 9.421 2.559 1.00 76.22 O +ATOM 2144 CG1 VAL A 268 9.059 12.262 4.126 1.00 71.69 C +ATOM 2145 CG2 VAL A 268 9.078 11.681 6.570 1.00 71.72 C +ATOM 2146 N VAL A 269 11.632 10.100 3.245 1.00 82.49 N +ATOM 2147 CA VAL A 269 12.231 10.026 1.916 1.00 82.53 C +ATOM 2148 C VAL A 269 12.146 8.595 1.390 1.00 82.71 C +ATOM 2149 CB VAL A 269 13.700 10.503 1.928 1.00 81.40 C +ATOM 2150 O VAL A 269 11.718 8.369 0.256 1.00 82.13 O +ATOM 2151 CG1 VAL A 269 14.387 10.167 0.606 1.00 82.09 C +ATOM 2152 CG2 VAL A 269 13.771 12.004 2.205 1.00 81.87 C +ATOM 2153 N VAL A 270 12.402 7.580 2.221 1.00 86.63 N +ATOM 2154 CA VAL A 270 12.383 6.180 1.811 1.00 86.01 C +ATOM 2155 C VAL A 270 10.951 5.756 1.490 1.00 85.55 C +ATOM 2156 CB VAL A 270 12.979 5.261 2.901 1.00 84.86 C +ATOM 2157 O VAL A 270 10.707 5.087 0.483 1.00 84.16 O +ATOM 2158 CG1 VAL A 270 12.711 3.793 2.575 1.00 82.06 C +ATOM 2159 CG2 VAL A 270 14.478 5.513 3.048 1.00 82.51 C +ATOM 2160 N MET A 271 9.993 6.199 2.206 1.00 79.57 N +ATOM 2161 CA MET A 271 8.589 5.872 1.978 1.00 78.86 C +ATOM 2162 C MET A 271 8.085 6.508 0.687 1.00 79.32 C +ATOM 2163 CB MET A 271 7.730 6.332 3.157 1.00 76.82 C +ATOM 2164 O MET A 271 7.470 5.835 -0.143 1.00 77.14 O +ATOM 2165 CG MET A 271 7.884 5.471 4.400 1.00 71.79 C +ATOM 2166 SD MET A 271 6.763 5.989 5.757 1.00 68.37 S +ATOM 2167 CE MET A 271 5.188 5.331 5.140 1.00 61.73 C +ATOM 2168 N ILE A 272 8.334 7.789 0.477 1.00 79.66 N +ATOM 2169 CA ILE A 272 7.935 8.503 -0.731 1.00 79.48 C +ATOM 2170 C ILE A 272 8.591 7.859 -1.951 1.00 80.25 C +ATOM 2171 CB ILE A 272 8.305 10.001 -0.651 1.00 78.44 C +ATOM 2172 O ILE A 272 7.925 7.593 -2.954 1.00 80.01 O +ATOM 2173 CG1 ILE A 272 7.421 10.715 0.378 1.00 79.91 C +ATOM 2174 CG2 ILE A 272 8.186 10.661 -2.028 1.00 80.32 C +ATOM 2175 CD1 ILE A 272 7.865 12.137 0.694 1.00 77.19 C +ATOM 2176 N LEU A 273 9.919 7.530 -1.842 1.00 86.68 N +ATOM 2177 CA LEU A 273 10.653 6.909 -2.939 1.00 86.73 C +ATOM 2178 C LEU A 273 10.121 5.509 -3.226 1.00 86.17 C +ATOM 2179 CB LEU A 273 12.148 6.844 -2.614 1.00 86.17 C +ATOM 2180 O LEU A 273 9.892 5.152 -4.384 1.00 85.31 O +ATOM 2181 CG LEU A 273 12.904 8.173 -2.631 1.00 86.40 C +ATOM 2182 CD1 LEU A 273 14.352 7.964 -2.197 1.00 85.50 C +ATOM 2183 CD2 LEU A 273 12.842 8.807 -4.016 1.00 85.64 C +ATOM 2184 N ALA A 274 9.915 4.672 -2.230 1.00 86.86 N +ATOM 2185 CA ALA A 274 9.348 3.334 -2.378 1.00 86.05 C +ATOM 2186 C ALA A 274 7.978 3.389 -3.048 1.00 85.89 C +ATOM 2187 CB ALA A 274 9.246 2.646 -1.019 1.00 84.81 C +ATOM 2188 O ALA A 274 7.707 2.634 -3.984 1.00 84.58 O +ATOM 2189 N TYR A 275 7.258 4.314 -2.732 1.00 83.68 N +ATOM 2190 CA TYR A 275 5.933 4.511 -3.310 1.00 82.88 C +ATOM 2191 C TYR A 275 6.034 4.967 -4.761 1.00 83.14 C +ATOM 2192 CB TYR A 275 5.137 5.534 -2.495 1.00 79.61 C +ATOM 2193 O TYR A 275 5.383 4.402 -5.643 1.00 80.78 O +ATOM 2194 CG TYR A 275 3.666 5.566 -2.831 1.00 71.45 C +ATOM 2195 CD1 TYR A 275 3.180 6.395 -3.840 1.00 64.77 C +ATOM 2196 CD2 TYR A 275 2.759 4.769 -2.141 1.00 65.04 C +ATOM 2197 CE1 TYR A 275 1.825 6.429 -4.152 1.00 59.76 C +ATOM 2198 CE2 TYR A 275 1.402 4.795 -2.444 1.00 57.50 C +ATOM 2199 OH TYR A 275 -0.397 5.656 -3.755 1.00 45.88 O +ATOM 2200 CZ TYR A 275 0.945 5.626 -3.450 1.00 62.11 C +ATOM 2201 N CYS A 276 6.721 6.128 -4.992 1.00 84.83 N +ATOM 2202 CA CYS A 276 6.923 6.641 -6.342 1.00 84.53 C +ATOM 2203 C CYS A 276 7.479 5.558 -7.259 1.00 84.36 C +ATOM 2204 CB CYS A 276 7.869 7.841 -6.323 1.00 83.06 C +ATOM 2205 O CYS A 276 7.075 5.453 -8.418 1.00 83.44 O +ATOM 2206 SG CYS A 276 7.144 9.328 -5.598 1.00 91.50 S +ATOM 2207 N PHE A 277 8.330 4.703 -6.712 1.00 88.35 N +ATOM 2208 CA PHE A 277 8.942 3.616 -7.467 1.00 88.06 C +ATOM 2209 C PHE A 277 7.926 2.518 -7.757 1.00 86.67 C +ATOM 2210 CB PHE A 277 10.138 3.037 -6.705 1.00 87.34 C +ATOM 2211 O PHE A 277 7.880 1.984 -8.867 1.00 84.91 O +ATOM 2212 CG PHE A 277 10.840 1.922 -7.432 1.00 85.73 C +ATOM 2213 CD1 PHE A 277 11.715 2.197 -8.476 1.00 83.17 C +ATOM 2214 CD2 PHE A 277 10.623 0.598 -7.073 1.00 83.21 C +ATOM 2215 CE1 PHE A 277 12.366 1.167 -9.151 1.00 83.10 C +ATOM 2216 CE2 PHE A 277 11.270 -0.436 -7.743 1.00 82.55 C +ATOM 2217 CZ PHE A 277 12.140 -0.150 -8.782 1.00 81.38 C +ATOM 2218 N CYS A 278 6.976 2.172 -6.899 1.00 87.27 N +ATOM 2219 CA CYS A 278 6.036 1.064 -7.025 1.00 86.69 C +ATOM 2220 C CYS A 278 4.786 1.493 -7.784 1.00 85.97 C +ATOM 2221 CB CYS A 278 5.649 0.530 -5.646 1.00 84.93 C +ATOM 2222 O CYS A 278 4.355 0.810 -8.715 1.00 83.83 O +ATOM 2223 SG CYS A 278 7.006 -0.279 -4.771 1.00 87.40 S +ATOM 2224 N TRP A 279 4.268 2.663 -7.477 1.00 85.60 N +ATOM 2225 CA TRP A 279 2.954 3.082 -7.956 1.00 86.23 C +ATOM 2226 C TRP A 279 3.085 4.123 -9.063 1.00 85.04 C +ATOM 2227 CB TRP A 279 2.117 3.646 -6.804 1.00 84.30 C +ATOM 2228 O TRP A 279 2.165 4.305 -9.864 1.00 82.21 O +ATOM 2229 CG TRP A 279 1.588 2.601 -5.868 1.00 80.49 C +ATOM 2230 CD1 TRP A 279 2.123 2.224 -4.667 1.00 76.58 C +ATOM 2231 CD2 TRP A 279 0.421 1.795 -6.058 1.00 77.72 C +ATOM 2232 CE2 TRP A 279 0.309 0.951 -4.931 1.00 78.45 C +ATOM 2233 CE3 TRP A 279 -0.542 1.706 -7.072 1.00 76.00 C +ATOM 2234 NE1 TRP A 279 1.358 1.232 -4.099 1.00 76.22 N +ATOM 2235 CH2 TRP A 279 -1.659 -0.040 -5.798 1.00 76.23 C +ATOM 2236 CZ2 TRP A 279 -0.730 0.027 -4.791 1.00 76.26 C +ATOM 2237 CZ3 TRP A 279 -1.575 0.787 -6.931 1.00 76.17 C +ATOM 2238 N GLY A 280 4.217 4.865 -9.134 1.00 86.77 N +ATOM 2239 CA GLY A 280 4.471 5.866 -10.157 1.00 86.78 C +ATOM 2240 C GLY A 280 4.355 5.321 -11.568 1.00 86.89 C +ATOM 2241 O GLY A 280 3.560 5.818 -12.368 1.00 86.11 O +ATOM 2242 N PRO A 281 5.113 4.169 -11.891 1.00 87.11 N +ATOM 2243 CA PRO A 281 4.975 3.566 -13.219 1.00 87.28 C +ATOM 2244 C PRO A 281 3.547 3.112 -13.516 1.00 86.99 C +ATOM 2245 CB PRO A 281 5.928 2.370 -13.164 1.00 86.66 C +ATOM 2246 O PRO A 281 3.032 3.360 -14.609 1.00 85.92 O +ATOM 2247 CG PRO A 281 6.985 2.768 -12.186 1.00 86.98 C +ATOM 2248 CD PRO A 281 6.337 3.535 -11.069 1.00 87.82 C +ATOM 2249 N TYR A 282 2.846 2.465 -12.564 1.00 84.65 N +ATOM 2250 CA TYR A 282 1.459 2.038 -12.705 1.00 84.57 C +ATOM 2251 C TYR A 282 0.548 3.227 -12.988 1.00 84.36 C +ATOM 2252 CB TYR A 282 0.989 1.310 -11.442 1.00 83.75 C +ATOM 2253 O TYR A 282 -0.188 3.231 -13.978 1.00 83.17 O +ATOM 2254 CG TYR A 282 -0.425 0.789 -11.532 1.00 82.71 C +ATOM 2255 CD1 TYR A 282 -0.702 -0.427 -12.154 1.00 80.69 C +ATOM 2256 CD2 TYR A 282 -1.486 1.510 -10.997 1.00 80.94 C +ATOM 2257 CE1 TYR A 282 -2.003 -0.910 -12.242 1.00 80.48 C +ATOM 2258 CE2 TYR A 282 -2.792 1.037 -11.078 1.00 80.49 C +ATOM 2259 OH TYR A 282 -4.330 -0.647 -11.785 1.00 76.38 O +ATOM 2260 CZ TYR A 282 -3.040 -0.173 -11.701 1.00 78.09 C +ATOM 2261 N THR A 283 0.631 4.308 -12.170 1.00 85.36 N +ATOM 2262 CA THR A 283 -0.131 5.541 -12.331 1.00 85.21 C +ATOM 2263 C THR A 283 0.158 6.182 -13.685 1.00 85.18 C +ATOM 2264 CB THR A 283 0.186 6.544 -11.207 1.00 84.08 C +ATOM 2265 O THR A 283 -0.765 6.558 -14.410 1.00 84.14 O +ATOM 2266 CG2 THR A 283 -0.658 7.807 -11.343 1.00 80.53 C +ATOM 2267 OG1 THR A 283 -0.087 5.934 -9.939 1.00 81.75 O +ATOM 2268 N PHE A 284 1.425 6.271 -14.078 1.00 86.33 N +ATOM 2269 CA PHE A 284 1.839 6.825 -15.362 1.00 86.63 C +ATOM 2270 C PHE A 284 1.223 6.040 -16.514 1.00 85.92 C +ATOM 2271 CB PHE A 284 3.366 6.823 -15.482 1.00 86.04 C +ATOM 2272 O PHE A 284 0.608 6.623 -17.409 1.00 84.87 O +ATOM 2273 CG PHE A 284 3.868 7.220 -16.844 1.00 86.09 C +ATOM 2274 CD1 PHE A 284 3.986 8.560 -17.193 1.00 85.14 C +ATOM 2275 CD2 PHE A 284 4.223 6.253 -17.775 1.00 85.49 C +ATOM 2276 CE1 PHE A 284 4.451 8.930 -18.453 1.00 85.24 C +ATOM 2277 CE2 PHE A 284 4.688 6.615 -19.036 1.00 85.46 C +ATOM 2278 CZ PHE A 284 4.800 7.954 -19.374 1.00 83.65 C +ATOM 2279 N PHE A 285 1.274 4.755 -16.482 1.00 84.88 N +ATOM 2280 CA PHE A 285 0.775 3.909 -17.559 1.00 84.32 C +ATOM 2281 C PHE A 285 -0.745 3.988 -17.649 1.00 83.67 C +ATOM 2282 CB PHE A 285 1.213 2.456 -17.351 1.00 82.65 C +ATOM 2283 O PHE A 285 -1.303 4.078 -18.745 1.00 81.79 O +ATOM 2284 CG PHE A 285 2.513 2.111 -18.026 1.00 77.61 C +ATOM 2285 CD1 PHE A 285 2.529 1.623 -19.327 1.00 73.04 C +ATOM 2286 CD2 PHE A 285 3.720 2.276 -17.360 1.00 73.19 C +ATOM 2287 CE1 PHE A 285 3.730 1.304 -19.955 1.00 71.57 C +ATOM 2288 CE2 PHE A 285 4.925 1.959 -17.981 1.00 71.51 C +ATOM 2289 CZ PHE A 285 4.928 1.472 -19.278 1.00 69.31 C +ATOM 2290 N VAL A 286 -1.458 4.007 -16.538 1.00 81.07 N +ATOM 2291 CA VAL A 286 -2.912 4.132 -16.537 1.00 80.58 C +ATOM 2292 C VAL A 286 -3.312 5.523 -17.022 1.00 80.66 C +ATOM 2293 CB VAL A 286 -3.505 3.864 -15.136 1.00 79.47 C +ATOM 2294 O VAL A 286 -4.174 5.661 -17.893 1.00 79.31 O +ATOM 2295 CG1 VAL A 286 -5.000 4.174 -15.114 1.00 76.56 C +ATOM 2296 CG2 VAL A 286 -3.248 2.418 -14.716 1.00 76.68 C +ATOM 2297 N CYS A 287 -2.669 6.638 -16.589 1.00 83.65 N +ATOM 2298 CA CYS A 287 -2.917 8.001 -17.044 1.00 83.84 C +ATOM 2299 C CYS A 287 -2.637 8.138 -18.536 1.00 83.58 C +ATOM 2300 CB CYS A 287 -2.058 8.993 -16.261 1.00 82.47 C +ATOM 2301 O CYS A 287 -3.457 8.679 -19.279 1.00 82.37 O +ATOM 2302 SG CYS A 287 -2.588 9.224 -14.550 1.00 88.44 S +ATOM 2303 N PHE A 288 -1.523 7.590 -18.969 1.00 85.43 N +ATOM 2304 CA PHE A 288 -1.123 7.646 -20.371 1.00 85.51 C +ATOM 2305 C PHE A 288 -2.088 6.852 -21.242 1.00 84.13 C +ATOM 2306 CB PHE A 288 0.303 7.113 -20.546 1.00 84.75 C +ATOM 2307 O PHE A 288 -2.595 7.364 -22.242 1.00 82.29 O +ATOM 2308 CG PHE A 288 0.846 7.280 -21.939 1.00 85.05 C +ATOM 2309 CD1 PHE A 288 1.587 8.404 -22.282 1.00 83.95 C +ATOM 2310 CD2 PHE A 288 0.615 6.311 -22.908 1.00 84.32 C +ATOM 2311 CE1 PHE A 288 2.091 8.561 -23.571 1.00 84.10 C +ATOM 2312 CE2 PHE A 288 1.115 6.461 -24.198 1.00 84.58 C +ATOM 2313 CZ PHE A 288 1.852 7.587 -24.528 1.00 81.89 C +ATOM 2314 N GLY A 289 -2.420 5.585 -20.868 1.00 81.13 N +ATOM 2315 CA GLY A 289 -3.387 4.770 -21.585 1.00 80.35 C +ATOM 2316 C GLY A 289 -4.769 5.395 -21.641 1.00 80.30 C +ATOM 2317 O GLY A 289 -5.443 5.332 -22.671 1.00 78.72 O +ATOM 2318 N THR A 290 -5.209 6.144 -20.608 1.00 79.89 N +ATOM 2319 CA THR A 290 -6.474 6.870 -20.561 1.00 79.63 C +ATOM 2320 C THR A 290 -6.415 8.117 -21.439 1.00 79.67 C +ATOM 2321 CB THR A 290 -6.836 7.270 -19.119 1.00 78.35 C +ATOM 2322 O THR A 290 -7.397 8.468 -22.095 1.00 78.65 O +ATOM 2323 CG2 THR A 290 -8.202 7.946 -19.062 1.00 74.61 C +ATOM 2324 OG1 THR A 290 -6.860 6.098 -18.296 1.00 76.48 O +ATOM 2325 N ALA A 291 -5.244 8.819 -21.562 1.00 82.27 N +ATOM 2326 CA ALA A 291 -5.055 10.042 -22.338 1.00 82.42 C +ATOM 2327 C ALA A 291 -4.887 9.730 -23.822 1.00 82.10 C +ATOM 2328 CB ALA A 291 -3.847 10.820 -21.821 1.00 81.25 C +ATOM 2329 O ALA A 291 -5.302 10.514 -24.679 1.00 81.21 O +ATOM 2330 N TYR A 292 -4.344 8.617 -24.100 1.00 82.56 N +ATOM 2331 CA TYR A 292 -4.043 8.224 -25.472 1.00 82.37 C +ATOM 2332 C TYR A 292 -4.643 6.860 -25.792 1.00 81.47 C +ATOM 2333 CB TYR A 292 -2.529 8.196 -25.704 1.00 81.21 C +ATOM 2334 O TYR A 292 -3.913 5.891 -26.013 1.00 79.25 O +ATOM 2335 CG TYR A 292 -1.853 9.524 -25.464 1.00 82.96 C +ATOM 2336 CD1 TYR A 292 -1.868 10.521 -26.437 1.00 82.25 C +ATOM 2337 CD2 TYR A 292 -1.198 9.785 -24.265 1.00 82.59 C +ATOM 2338 CE1 TYR A 292 -1.245 11.746 -26.222 1.00 81.68 C +ATOM 2339 CE2 TYR A 292 -0.572 11.006 -24.039 1.00 82.27 C +ATOM 2340 OH TYR A 292 0.017 13.190 -24.803 1.00 80.52 O +ATOM 2341 CZ TYR A 292 -0.601 11.979 -25.022 1.00 78.16 C +ATOM 2342 N PRO A 293 -5.996 6.929 -25.844 1.00 78.37 N +ATOM 2343 CA PRO A 293 -6.661 5.685 -26.239 1.00 77.38 C +ATOM 2344 C PRO A 293 -6.231 5.199 -27.621 1.00 76.58 C +ATOM 2345 CB PRO A 293 -8.145 6.061 -26.230 1.00 75.38 C +ATOM 2346 O PRO A 293 -6.055 6.007 -28.537 1.00 72.92 O +ATOM 2347 CG PRO A 293 -8.170 7.526 -26.522 1.00 74.23 C +ATOM 2348 CD PRO A 293 -6.927 8.148 -25.952 1.00 73.85 C +ATOM 2349 N GLY A 294 -5.857 4.060 -27.867 1.00 74.06 N +ATOM 2350 CA GLY A 294 -5.405 3.457 -29.111 1.00 73.66 C +ATOM 2351 C GLY A 294 -3.901 3.260 -29.166 1.00 73.99 C +ATOM 2352 O GLY A 294 -3.393 2.565 -30.049 1.00 73.10 O +ATOM 2353 N TYR A 295 -3.231 3.957 -28.271 1.00 77.96 N +ATOM 2354 CA TYR A 295 -1.815 3.624 -28.166 1.00 77.41 C +ATOM 2355 C TYR A 295 -1.625 2.199 -27.659 1.00 76.82 C +ATOM 2356 CB TYR A 295 -1.098 4.608 -27.237 1.00 75.71 C +ATOM 2357 O TYR A 295 -1.803 1.928 -26.469 1.00 74.39 O +ATOM 2358 CG TYR A 295 0.404 4.463 -27.241 1.00 75.83 C +ATOM 2359 CD1 TYR A 295 1.046 3.624 -26.333 1.00 74.64 C +ATOM 2360 CD2 TYR A 295 1.185 5.166 -28.152 1.00 75.03 C +ATOM 2361 CE1 TYR A 295 2.430 3.489 -26.332 1.00 74.10 C +ATOM 2362 CE2 TYR A 295 2.571 5.038 -28.161 1.00 74.08 C +ATOM 2363 OH TYR A 295 4.554 4.069 -27.253 1.00 71.79 O +ATOM 2364 CZ TYR A 295 3.183 4.198 -27.249 1.00 69.57 C +ATOM 2365 N ALA A 296 -1.349 1.278 -28.488 1.00 74.26 N +ATOM 2366 CA ALA A 296 -1.062 -0.109 -28.132 1.00 73.67 C +ATOM 2367 C ALA A 296 0.293 -0.228 -27.439 1.00 74.81 C +ATOM 2368 CB ALA A 296 -1.101 -0.996 -29.374 1.00 71.40 C +ATOM 2369 O ALA A 296 1.335 -0.231 -28.097 1.00 73.21 O +ATOM 2370 N PHE A 297 0.222 -0.242 -26.157 1.00 78.02 N +ATOM 2371 CA PHE A 297 1.442 -0.598 -25.442 1.00 77.96 C +ATOM 2372 C PHE A 297 1.892 -2.007 -25.809 1.00 78.19 C +ATOM 2373 CB PHE A 297 1.230 -0.493 -23.928 1.00 76.75 C +ATOM 2374 O PHE A 297 1.066 -2.908 -25.966 1.00 76.45 O +ATOM 2375 CG PHE A 297 1.112 0.922 -23.429 1.00 77.95 C +ATOM 2376 CD1 PHE A 297 2.247 1.694 -23.211 1.00 77.72 C +ATOM 2377 CD2 PHE A 297 -0.135 1.481 -23.178 1.00 78.49 C +ATOM 2378 CE1 PHE A 297 2.141 3.003 -22.748 1.00 77.61 C +ATOM 2379 CE2 PHE A 297 -0.249 2.789 -22.716 1.00 77.11 C +ATOM 2380 CZ PHE A 297 0.890 3.548 -22.501 1.00 73.27 C +ATOM 2381 N HIS A 298 3.214 -2.170 -25.950 1.00 78.01 N +ATOM 2382 CA HIS A 298 3.762 -3.522 -25.938 1.00 78.04 C +ATOM 2383 C HIS A 298 3.280 -4.300 -24.719 1.00 78.40 C +ATOM 2384 CB HIS A 298 5.291 -3.480 -25.964 1.00 76.65 C +ATOM 2385 O HIS A 298 3.276 -3.775 -23.603 1.00 77.30 O +ATOM 2386 CG HIS A 298 5.924 -4.816 -26.193 1.00 75.34 C +ATOM 2387 CD2 HIS A 298 6.292 -5.441 -27.335 1.00 74.69 C +ATOM 2388 ND1 HIS A 298 6.244 -5.673 -25.163 1.00 75.99 N +ATOM 2389 CE1 HIS A 298 6.785 -6.771 -25.664 1.00 72.46 C +ATOM 2390 NE2 HIS A 298 6.825 -6.656 -26.980 1.00 71.99 N +ATOM 2391 N PRO A 299 2.836 -5.526 -24.730 1.00 74.47 N +ATOM 2392 CA PRO A 299 2.226 -6.274 -23.629 1.00 74.15 C +ATOM 2393 C PRO A 299 3.111 -6.321 -22.385 1.00 75.29 C +ATOM 2394 CB PRO A 299 2.036 -7.675 -24.217 1.00 73.03 C +ATOM 2395 O PRO A 299 2.612 -6.209 -21.263 1.00 74.80 O +ATOM 2396 CG PRO A 299 1.808 -7.448 -25.677 1.00 71.35 C +ATOM 2397 CD PRO A 299 2.688 -6.317 -26.127 1.00 70.84 C +ATOM 2398 N LEU A 300 4.407 -6.319 -22.607 1.00 76.95 N +ATOM 2399 CA LEU A 300 5.362 -6.301 -21.505 1.00 77.08 C +ATOM 2400 C LEU A 300 5.342 -4.954 -20.790 1.00 77.90 C +ATOM 2401 CB LEU A 300 6.774 -6.600 -22.015 1.00 75.54 C +ATOM 2402 O LEU A 300 5.325 -4.900 -19.558 1.00 77.67 O +ATOM 2403 CG LEU A 300 7.879 -6.653 -20.958 1.00 72.42 C +ATOM 2404 CD1 LEU A 300 7.621 -7.791 -19.978 1.00 69.75 C +ATOM 2405 CD2 LEU A 300 9.245 -6.809 -21.620 1.00 70.02 C +ATOM 2406 N ALA A 301 5.283 -3.891 -21.484 1.00 79.60 N +ATOM 2407 CA ALA A 301 5.209 -2.541 -20.932 1.00 79.62 C +ATOM 2408 C ALA A 301 3.906 -2.332 -20.166 1.00 79.79 C +ATOM 2409 CB ALA A 301 5.342 -1.504 -22.044 1.00 78.27 C +ATOM 2410 O ALA A 301 3.894 -1.695 -19.110 1.00 78.86 O +ATOM 2411 N ALA A 302 2.843 -2.981 -20.577 1.00 77.94 N +ATOM 2412 CA ALA A 302 1.531 -2.896 -19.940 1.00 77.44 C +ATOM 2413 C ALA A 302 1.483 -3.739 -18.668 1.00 78.10 C +ATOM 2414 CB ALA A 302 0.439 -3.339 -20.910 1.00 76.14 C +ATOM 2415 O ALA A 302 0.835 -3.361 -17.690 1.00 76.86 O +ATOM 2416 N ALA A 303 2.253 -4.819 -18.610 1.00 78.79 N +ATOM 2417 CA ALA A 303 2.266 -5.731 -17.469 1.00 78.64 C +ATOM 2418 C ALA A 303 3.212 -5.234 -16.380 1.00 79.70 C +ATOM 2419 CB ALA A 303 2.663 -7.136 -17.914 1.00 77.48 C +ATOM 2420 O ALA A 303 2.939 -5.397 -15.189 1.00 79.11 O +ATOM 2421 N MET A 304 4.332 -4.586 -16.729 1.00 81.77 N +ATOM 2422 CA MET A 304 5.421 -4.211 -15.832 1.00 82.35 C +ATOM 2423 C MET A 304 4.915 -3.318 -14.704 1.00 83.18 C +ATOM 2424 CB MET A 304 6.532 -3.498 -16.605 1.00 80.10 C +ATOM 2425 O MET A 304 5.237 -3.543 -13.536 1.00 82.49 O +ATOM 2426 CG MET A 304 7.449 -4.440 -17.369 1.00 74.66 C +ATOM 2427 SD MET A 304 8.326 -5.615 -16.266 1.00 74.84 S +ATOM 2428 CE MET A 304 9.479 -4.482 -15.442 1.00 64.44 C +ATOM 2429 N PRO A 305 4.024 -2.377 -14.907 1.00 83.00 N +ATOM 2430 CA PRO A 305 3.509 -1.527 -13.832 1.00 83.08 C +ATOM 2431 C PRO A 305 2.722 -2.312 -12.784 1.00 83.40 C +ATOM 2432 CB PRO A 305 2.601 -0.538 -14.568 1.00 82.01 C +ATOM 2433 O PRO A 305 2.855 -2.053 -11.585 1.00 82.12 O +ATOM 2434 CG PRO A 305 3.187 -0.430 -15.939 1.00 81.93 C +ATOM 2435 CD PRO A 305 3.673 -1.788 -16.358 1.00 82.39 C +ATOM 2436 N ALA A 306 1.968 -3.311 -13.191 1.00 81.39 N +ATOM 2437 CA ALA A 306 1.240 -4.176 -12.265 1.00 81.26 C +ATOM 2438 C ALA A 306 2.202 -4.994 -11.408 1.00 82.16 C +ATOM 2439 CB ALA A 306 0.297 -5.101 -13.031 1.00 80.06 C +ATOM 2440 O ALA A 306 2.006 -5.126 -10.198 1.00 81.65 O +ATOM 2441 N TYR A 307 3.339 -5.371 -11.983 1.00 83.84 N +ATOM 2442 CA TYR A 307 4.372 -6.105 -11.261 1.00 84.51 C +ATOM 2443 C TYR A 307 5.095 -5.200 -10.271 1.00 85.18 C +ATOM 2444 CB TYR A 307 5.379 -6.717 -12.239 1.00 83.10 C +ATOM 2445 O TYR A 307 5.366 -5.601 -9.137 1.00 84.81 O +ATOM 2446 CG TYR A 307 4.791 -7.790 -13.124 1.00 80.16 C +ATOM 2447 CD1 TYR A 307 4.033 -8.827 -12.584 1.00 77.15 C +ATOM 2448 CD2 TYR A 307 4.993 -7.771 -14.499 1.00 77.68 C +ATOM 2449 CE1 TYR A 307 3.491 -9.819 -13.394 1.00 76.39 C +ATOM 2450 CE2 TYR A 307 4.456 -8.757 -15.319 1.00 76.37 C +ATOM 2451 OH TYR A 307 3.172 -10.755 -15.566 1.00 71.12 O +ATOM 2452 CZ TYR A 307 3.707 -9.775 -14.759 1.00 73.45 C +ATOM 2453 N PHE A 308 5.336 -3.946 -10.643 1.00 85.66 N +ATOM 2454 CA PHE A 308 5.936 -2.959 -9.752 1.00 86.19 C +ATOM 2455 C PHE A 308 4.990 -2.619 -8.606 1.00 86.37 C +ATOM 2456 CB PHE A 308 6.302 -1.688 -10.525 1.00 84.93 C +ATOM 2457 O PHE A 308 5.391 -2.629 -7.441 1.00 85.68 O +ATOM 2458 CG PHE A 308 7.570 -1.809 -11.327 1.00 83.18 C +ATOM 2459 CD1 PHE A 308 8.783 -2.066 -10.700 1.00 81.23 C +ATOM 2460 CD2 PHE A 308 7.549 -1.666 -12.708 1.00 81.75 C +ATOM 2461 CE1 PHE A 308 9.959 -2.178 -11.439 1.00 80.60 C +ATOM 2462 CE2 PHE A 308 8.719 -1.778 -13.453 1.00 80.05 C +ATOM 2463 CZ PHE A 308 9.923 -2.033 -12.817 1.00 78.08 C +ATOM 2464 N ALA A 309 3.714 -2.449 -8.863 1.00 85.17 N +ATOM 2465 CA ALA A 309 2.710 -2.169 -7.840 1.00 85.35 C +ATOM 2466 C ALA A 309 2.604 -3.321 -6.846 1.00 85.82 C +ATOM 2467 CB ALA A 309 1.353 -1.900 -8.486 1.00 83.72 C +ATOM 2468 O ALA A 309 2.639 -3.108 -5.632 1.00 85.00 O +ATOM 2469 N LYS A 310 2.721 -4.530 -7.297 1.00 86.72 N +ATOM 2470 CA LYS A 310 2.671 -5.716 -6.446 1.00 87.00 C +ATOM 2471 C LYS A 310 3.936 -5.841 -5.603 1.00 87.42 C +ATOM 2472 CB LYS A 310 2.477 -6.975 -7.292 1.00 85.16 C +ATOM 2473 O LYS A 310 3.893 -6.349 -4.480 1.00 86.46 O +ATOM 2474 CG LYS A 310 1.080 -7.119 -7.878 1.00 79.70 C +ATOM 2475 CD LYS A 310 0.961 -8.372 -8.736 1.00 76.82 C +ATOM 2476 CE LYS A 310 -0.452 -8.547 -9.277 1.00 71.60 C +ATOM 2477 NZ LYS A 310 -0.599 -9.822 -10.040 1.00 67.81 N +ATOM 2478 N SER A 311 5.095 -5.358 -6.061 1.00 88.70 N +ATOM 2479 CA SER A 311 6.335 -5.357 -5.291 1.00 89.31 C +ATOM 2480 C SER A 311 6.231 -4.439 -4.077 1.00 89.29 C +ATOM 2481 CB SER A 311 7.511 -4.926 -6.168 1.00 87.77 C +ATOM 2482 O SER A 311 6.964 -4.608 -3.100 1.00 88.26 O +ATOM 2483 OG SER A 311 7.635 -5.774 -7.296 1.00 84.22 O +ATOM 2484 N ALA A 312 5.260 -3.546 -4.060 1.00 88.37 N +ATOM 2485 CA ALA A 312 4.994 -2.675 -2.919 1.00 88.82 C +ATOM 2486 C ALA A 312 4.632 -3.489 -1.680 1.00 89.54 C +ATOM 2487 CB ALA A 312 3.874 -1.691 -3.251 1.00 87.39 C +ATOM 2488 O ALA A 312 5.054 -3.160 -0.569 1.00 89.10 O +ATOM 2489 N THR A 313 3.980 -4.627 -1.828 1.00 91.03 N +ATOM 2490 CA THR A 313 3.516 -5.485 -0.743 1.00 91.58 C +ATOM 2491 C THR A 313 4.697 -6.106 -0.003 1.00 91.43 C +ATOM 2492 CB THR A 313 2.593 -6.600 -1.269 1.00 90.69 C +ATOM 2493 O THR A 313 4.577 -6.478 1.167 1.00 90.61 O +ATOM 2494 CG2 THR A 313 1.411 -6.019 -2.036 1.00 87.13 C +ATOM 2495 OG1 THR A 313 3.339 -7.459 -2.141 1.00 88.83 O +ATOM 2496 N ILE A 314 5.908 -6.149 -0.632 1.00 91.17 N +ATOM 2497 CA ILE A 314 7.150 -6.610 -0.021 1.00 91.34 C +ATOM 2498 C ILE A 314 7.828 -5.452 0.706 1.00 90.67 C +ATOM 2499 CB ILE A 314 8.106 -7.216 -1.073 1.00 90.66 C +ATOM 2500 O ILE A 314 8.317 -5.615 1.827 1.00 89.61 O +ATOM 2501 CG1 ILE A 314 7.429 -8.385 -1.799 1.00 88.97 C +ATOM 2502 CG2 ILE A 314 9.416 -7.662 -0.418 1.00 88.32 C +ATOM 2503 CD1 ILE A 314 8.175 -8.859 -3.038 1.00 86.53 C +ATOM 2504 N TYR A 315 7.836 -4.266 0.138 1.00 90.55 N +ATOM 2505 CA TYR A 315 8.609 -3.127 0.621 1.00 90.43 C +ATOM 2506 C TYR A 315 7.941 -2.490 1.834 1.00 90.02 C +ATOM 2507 CB TYR A 315 8.780 -2.084 -0.488 1.00 88.62 C +ATOM 2508 O TYR A 315 8.621 -2.020 2.749 1.00 88.62 O +ATOM 2509 CG TYR A 315 9.644 -2.553 -1.634 1.00 83.25 C +ATOM 2510 CD1 TYR A 315 10.972 -2.918 -1.426 1.00 78.36 C +ATOM 2511 CD2 TYR A 315 9.135 -2.631 -2.925 1.00 78.59 C +ATOM 2512 CE1 TYR A 315 11.773 -3.349 -2.479 1.00 77.03 C +ATOM 2513 CE2 TYR A 315 9.926 -3.061 -3.986 1.00 77.48 C +ATOM 2514 OH TYR A 315 12.029 -3.843 -4.799 1.00 63.61 O +ATOM 2515 CZ TYR A 315 11.241 -3.417 -3.753 1.00 74.73 C +ATOM 2516 N ASN A 316 6.638 -2.474 1.841 1.00 87.83 N +ATOM 2517 CA ASN A 316 5.905 -1.814 2.917 1.00 88.07 C +ATOM 2518 C ASN A 316 6.285 -2.378 4.283 1.00 88.72 C +ATOM 2519 CB ASN A 316 4.397 -1.938 2.692 1.00 86.99 C +ATOM 2520 O ASN A 316 6.790 -1.652 5.140 1.00 88.24 O +ATOM 2521 CG ASN A 316 3.898 -1.048 1.571 1.00 84.09 C +ATOM 2522 ND2 ASN A 316 2.738 -1.383 1.019 1.00 83.07 N +ATOM 2523 OD1 ASN A 316 4.551 -0.068 1.202 1.00 83.22 O +ATOM 2524 N PRO A 317 6.214 -3.700 4.563 1.00 89.50 N +ATOM 2525 CA PRO A 317 6.606 -4.252 5.862 1.00 89.69 C +ATOM 2526 C PRO A 317 8.109 -4.154 6.115 1.00 88.91 C +ATOM 2527 CB PRO A 317 6.162 -5.714 5.773 1.00 88.67 C +ATOM 2528 O PRO A 317 8.534 -3.928 7.251 1.00 87.68 O +ATOM 2529 CG PRO A 317 6.082 -6.000 4.308 1.00 87.89 C +ATOM 2530 CD PRO A 317 5.676 -4.742 3.597 1.00 87.85 C +ATOM 2531 N ILE A 318 8.957 -4.280 5.060 1.00 90.76 N +ATOM 2532 CA ILE A 318 10.404 -4.154 5.195 1.00 90.76 C +ATOM 2533 C ILE A 318 10.758 -2.745 5.663 1.00 90.02 C +ATOM 2534 CB ILE A 318 11.126 -4.476 3.868 1.00 90.21 C +ATOM 2535 O ILE A 318 11.474 -2.574 6.653 1.00 88.95 O +ATOM 2536 CG1 ILE A 318 11.001 -5.968 3.539 1.00 89.42 C +ATOM 2537 CG2 ILE A 318 12.596 -4.051 3.936 1.00 89.00 C +ATOM 2538 CD1 ILE A 318 11.531 -6.346 2.163 1.00 87.44 C +ATOM 2539 N ILE A 319 10.229 -1.726 5.043 1.00 88.55 N +ATOM 2540 CA ILE A 319 10.450 -0.334 5.420 1.00 88.26 C +ATOM 2541 C ILE A 319 9.967 -0.104 6.851 1.00 88.05 C +ATOM 2542 CB ILE A 319 9.735 0.634 4.451 1.00 87.19 C +ATOM 2543 O ILE A 319 10.697 0.448 7.677 1.00 86.95 O +ATOM 2544 CG1 ILE A 319 10.421 0.622 3.081 1.00 84.43 C +ATOM 2545 CG2 ILE A 319 9.697 2.050 5.033 1.00 84.15 C +ATOM 2546 CD1 ILE A 319 9.618 1.300 1.980 1.00 81.58 C +ATOM 2547 N TYR A 320 8.883 -0.611 7.201 1.00 86.47 N +ATOM 2548 CA TYR A 320 8.316 -0.418 8.531 1.00 85.92 C +ATOM 2549 C TYR A 320 9.175 -1.093 9.594 1.00 86.03 C +ATOM 2550 CB TYR A 320 6.887 -0.966 8.590 1.00 83.41 C +ATOM 2551 O TYR A 320 9.496 -0.486 10.618 1.00 84.27 O +ATOM 2552 CG TYR A 320 6.227 -0.796 9.937 1.00 75.22 C +ATOM 2553 CD1 TYR A 320 6.275 -1.811 10.891 1.00 68.64 C +ATOM 2554 CD2 TYR A 320 5.554 0.377 10.259 1.00 68.73 C +ATOM 2555 CE1 TYR A 320 5.667 -1.660 12.133 1.00 65.44 C +ATOM 2556 CE2 TYR A 320 4.942 0.539 11.498 1.00 64.26 C +ATOM 2557 OH TYR A 320 4.401 -0.328 13.655 1.00 50.19 O +ATOM 2558 CZ TYR A 320 5.005 -0.483 12.427 1.00 65.30 C +ATOM 2559 N VAL A 321 9.602 -2.339 9.399 1.00 87.57 N +ATOM 2560 CA VAL A 321 10.453 -3.088 10.317 1.00 87.11 C +ATOM 2561 C VAL A 321 11.792 -2.372 10.482 1.00 86.08 C +ATOM 2562 CB VAL A 321 10.680 -4.536 9.826 1.00 86.56 C +ATOM 2563 O VAL A 321 12.284 -2.213 11.601 1.00 84.65 O +ATOM 2564 CG1 VAL A 321 11.798 -5.207 10.623 1.00 86.25 C +ATOM 2565 CG2 VAL A 321 9.387 -5.343 9.930 1.00 86.00 C +ATOM 2566 N PHE A 322 12.344 -1.820 9.380 1.00 87.53 N +ATOM 2567 CA PHE A 322 13.658 -1.190 9.434 1.00 86.50 C +ATOM 2568 C PHE A 322 13.566 0.201 10.050 1.00 85.23 C +ATOM 2569 CB PHE A 322 14.273 -1.104 8.034 1.00 84.98 C +ATOM 2570 O PHE A 322 14.461 0.620 10.787 1.00 82.64 O +ATOM 2571 CG PHE A 322 14.979 -2.361 7.603 1.00 81.06 C +ATOM 2572 CD1 PHE A 322 16.137 -2.779 8.248 1.00 77.31 C +ATOM 2573 CD2 PHE A 322 14.486 -3.124 6.553 1.00 77.28 C +ATOM 2574 CE1 PHE A 322 16.793 -3.942 7.852 1.00 75.37 C +ATOM 2575 CE2 PHE A 322 15.136 -4.287 6.151 1.00 74.20 C +ATOM 2576 CZ PHE A 322 16.290 -4.694 6.801 1.00 72.65 C +ATOM 2577 N MET A 323 12.422 0.811 9.919 1.00 85.29 N +ATOM 2578 CA MET A 323 12.291 2.201 10.347 1.00 84.36 C +ATOM 2579 C MET A 323 11.706 2.285 11.753 1.00 83.85 C +ATOM 2580 CB MET A 323 11.416 2.985 9.368 1.00 82.59 C +ATOM 2581 O MET A 323 11.935 3.262 12.468 1.00 80.85 O +ATOM 2582 CG MET A 323 12.050 3.182 8.001 1.00 77.76 C +ATOM 2583 SD MET A 323 11.086 4.326 6.938 1.00 74.72 S +ATOM 2584 CE MET A 323 11.962 5.882 7.266 1.00 67.16 C +ATOM 2585 N ASN A 324 10.948 1.326 12.208 1.00 84.75 N +ATOM 2586 CA ASN A 324 10.372 1.288 13.548 1.00 85.08 C +ATOM 2587 C ASN A 324 11.215 0.442 14.497 1.00 85.79 C +ATOM 2588 CB ASN A 324 8.936 0.762 13.500 1.00 83.92 C +ATOM 2589 O ASN A 324 11.172 -0.788 14.443 1.00 85.18 O +ATOM 2590 CG ASN A 324 8.232 0.864 14.839 1.00 81.68 C +ATOM 2591 ND2 ASN A 324 6.933 1.137 14.806 1.00 81.06 N +ATOM 2592 OD1 ASN A 324 8.850 0.699 15.894 1.00 80.79 O +ATOM 2593 N ARG A 325 11.927 1.130 15.351 1.00 83.96 N +ATOM 2594 CA ARG A 325 12.841 0.504 16.301 1.00 84.29 C +ATOM 2595 C ARG A 325 12.116 -0.525 17.162 1.00 84.74 C +ATOM 2596 CB ARG A 325 13.500 1.560 17.191 1.00 83.05 C +ATOM 2597 O ARG A 325 12.637 -1.615 17.408 1.00 84.22 O +ATOM 2598 CG ARG A 325 14.490 0.991 18.194 1.00 81.61 C +ATOM 2599 CD ARG A 325 15.153 2.087 19.016 1.00 81.94 C +ATOM 2600 NE ARG A 325 16.056 1.534 20.023 1.00 76.25 N +ATOM 2601 NH1 ARG A 325 16.518 3.565 21.022 1.00 76.45 N +ATOM 2602 NH2 ARG A 325 17.482 1.644 21.819 1.00 75.33 N +ATOM 2603 CZ ARG A 325 16.683 2.249 20.952 1.00 75.63 C +ATOM 2604 N GLN A 326 10.930 -0.251 17.652 1.00 85.10 N +ATOM 2605 CA GLN A 326 10.153 -1.164 18.485 1.00 86.07 C +ATOM 2606 C GLN A 326 9.858 -2.466 17.746 1.00 87.28 C +ATOM 2607 CB GLN A 326 8.846 -0.505 18.930 1.00 84.53 C +ATOM 2608 O GLN A 326 10.029 -3.554 18.301 1.00 87.29 O +ATOM 2609 CG GLN A 326 9.044 0.697 19.844 1.00 80.63 C +ATOM 2610 CD GLN A 326 7.734 1.344 20.253 1.00 78.62 C +ATOM 2611 NE2 GLN A 326 7.783 2.182 21.283 1.00 76.02 N +ATOM 2612 OE1 GLN A 326 6.687 1.094 19.647 1.00 78.07 O +ATOM 2613 N PHE A 327 9.493 -2.391 16.478 1.00 88.92 N +ATOM 2614 CA PHE A 327 9.227 -3.562 15.651 1.00 89.51 C +ATOM 2615 C PHE A 327 10.502 -4.367 15.428 1.00 89.98 C +ATOM 2616 CB PHE A 327 8.627 -3.146 14.305 1.00 87.88 C +ATOM 2617 O PHE A 327 10.506 -5.590 15.590 1.00 89.41 O +ATOM 2618 CG PHE A 327 7.127 -3.258 14.249 1.00 82.97 C +ATOM 2619 CD1 PHE A 327 6.518 -4.468 13.938 1.00 78.41 C +ATOM 2620 CD2 PHE A 327 6.326 -2.154 14.507 1.00 78.64 C +ATOM 2621 CE1 PHE A 327 5.130 -4.575 13.885 1.00 77.48 C +ATOM 2622 CE2 PHE A 327 4.938 -2.253 14.457 1.00 77.37 C +ATOM 2623 CZ PHE A 327 4.343 -3.464 14.144 1.00 75.60 C +ATOM 2624 N ARG A 328 11.576 -3.688 15.128 1.00 89.94 N +ATOM 2625 CA ARG A 328 12.866 -4.351 14.964 1.00 90.04 C +ATOM 2626 C ARG A 328 13.251 -5.117 16.225 1.00 90.08 C +ATOM 2627 CB ARG A 328 13.953 -3.332 14.616 1.00 88.48 C +ATOM 2628 O ARG A 328 13.610 -6.294 16.156 1.00 89.45 O +ATOM 2629 CG ARG A 328 14.180 -3.158 13.123 1.00 84.80 C +ATOM 2630 CD ARG A 328 15.322 -2.195 12.834 1.00 84.34 C +ATOM 2631 NE ARG A 328 16.129 -1.942 14.025 1.00 80.83 N +ATOM 2632 NH1 ARG A 328 15.766 0.339 14.040 1.00 76.84 N +ATOM 2633 NH2 ARG A 328 17.074 -0.629 15.655 1.00 75.60 N +ATOM 2634 CZ ARG A 328 16.321 -0.745 14.571 1.00 78.02 C +ATOM 2635 N VAL A 329 13.122 -4.513 17.400 1.00 89.56 N +ATOM 2636 CA VAL A 329 13.431 -5.143 18.680 1.00 89.92 C +ATOM 2637 C VAL A 329 12.540 -6.366 18.882 1.00 90.57 C +ATOM 2638 CB VAL A 329 13.255 -4.155 19.855 1.00 88.98 C +ATOM 2639 O VAL A 329 13.023 -7.439 19.252 1.00 90.34 O +ATOM 2640 CG1 VAL A 329 13.326 -4.889 21.192 1.00 86.94 C +ATOM 2641 CG2 VAL A 329 14.313 -3.055 19.789 1.00 86.61 C +ATOM 2642 N CYS A 330 11.253 -6.287 18.615 1.00 91.61 N +ATOM 2643 CA CYS A 330 10.307 -7.388 18.758 1.00 92.46 C +ATOM 2644 C CYS A 330 10.627 -8.513 17.783 1.00 92.46 C +ATOM 2645 CB CYS A 330 8.877 -6.898 18.534 1.00 91.15 C +ATOM 2646 O CYS A 330 10.585 -9.689 18.149 1.00 91.85 O +ATOM 2647 SG CYS A 330 8.245 -5.858 19.869 1.00 92.67 S +ATOM 2648 N ILE A 331 11.037 -8.218 16.544 1.00 92.90 N +ATOM 2649 CA ILE A 331 11.432 -9.212 15.552 1.00 92.97 C +ATOM 2650 C ILE A 331 12.720 -9.902 15.998 1.00 92.79 C +ATOM 2651 CB ILE A 331 11.622 -8.575 14.157 1.00 91.97 C +ATOM 2652 O ILE A 331 12.798 -11.133 16.016 1.00 92.00 O +ATOM 2653 CG1 ILE A 331 10.262 -8.223 13.542 1.00 88.45 C +ATOM 2654 CG2 ILE A 331 12.412 -9.511 13.239 1.00 88.38 C +ATOM 2655 CD1 ILE A 331 10.357 -7.484 12.214 1.00 85.20 C +ATOM 2656 N TYR A 332 13.719 -9.208 16.487 1.00 92.64 N +ATOM 2657 CA TYR A 332 14.943 -9.813 16.999 1.00 93.11 C +ATOM 2658 C TYR A 332 14.649 -10.712 18.193 1.00 93.33 C +ATOM 2659 CB TYR A 332 15.952 -8.731 17.396 1.00 91.93 C +ATOM 2660 O TYR A 332 15.137 -11.843 18.262 1.00 93.03 O +ATOM 2661 CG TYR A 332 16.678 -8.118 16.223 1.00 88.04 C +ATOM 2662 CD1 TYR A 332 17.371 -8.914 15.314 1.00 84.52 C +ATOM 2663 CD2 TYR A 332 16.672 -6.742 16.021 1.00 84.52 C +ATOM 2664 CE1 TYR A 332 18.043 -8.353 14.233 1.00 83.91 C +ATOM 2665 CE2 TYR A 332 17.340 -6.170 14.943 1.00 83.98 C +ATOM 2666 OH TYR A 332 18.684 -6.423 12.987 1.00 77.97 O +ATOM 2667 CZ TYR A 332 18.021 -6.983 14.055 1.00 81.83 C +ATOM 2668 N GLN A 333 13.768 -10.309 19.125 1.00 93.20 N +ATOM 2669 CA GLN A 333 13.333 -11.102 20.270 1.00 93.49 C +ATOM 2670 C GLN A 333 12.608 -12.367 19.820 1.00 93.52 C +ATOM 2671 CB GLN A 333 12.428 -10.275 21.184 1.00 92.94 C +ATOM 2672 O GLN A 333 12.722 -13.415 20.458 1.00 93.12 O +ATOM 2673 CG GLN A 333 13.175 -9.249 22.025 1.00 91.01 C +ATOM 2674 CD GLN A 333 12.246 -8.376 22.848 1.00 89.20 C +ATOM 2675 NE2 GLN A 333 12.817 -7.604 23.767 1.00 89.79 N +ATOM 2676 OE1 GLN A 333 11.026 -8.394 22.659 1.00 89.57 O +ATOM 2677 N MET A 334 11.926 -12.345 18.715 1.00 94.72 N +ATOM 2678 CA MET A 334 11.262 -13.517 18.151 1.00 94.73 C +ATOM 2679 C MET A 334 12.283 -14.549 17.685 1.00 93.84 C +ATOM 2680 CB MET A 334 10.357 -13.113 16.985 1.00 94.07 C +ATOM 2681 O MET A 334 12.051 -15.754 17.798 1.00 92.47 O +ATOM 2682 CG MET A 334 9.063 -12.444 17.418 1.00 90.62 C +ATOM 2683 SD MET A 334 8.063 -11.861 15.994 1.00 92.21 S +ATOM 2684 CE MET A 334 7.754 -13.438 15.152 1.00 86.06 C +ATOM 2685 N PHE A 335 13.454 -14.186 17.243 1.00 94.83 N +ATOM 2686 CA PHE A 335 14.513 -15.059 16.752 1.00 94.99 C +ATOM 2687 C PHE A 335 15.496 -15.397 17.867 1.00 94.67 C +ATOM 2688 CB PHE A 335 15.252 -14.404 15.581 1.00 94.42 C +ATOM 2689 O PHE A 335 16.612 -15.848 17.602 1.00 93.63 O +ATOM 2690 CG PHE A 335 14.457 -14.369 14.304 1.00 93.27 C +ATOM 2691 CD1 PHE A 335 14.126 -15.546 13.643 1.00 90.95 C +ATOM 2692 CD2 PHE A 335 14.040 -13.160 13.764 1.00 90.74 C +ATOM 2693 CE1 PHE A 335 13.390 -15.517 12.461 1.00 89.95 C +ATOM 2694 CE2 PHE A 335 13.304 -13.123 12.583 1.00 89.84 C +ATOM 2695 CZ PHE A 335 12.981 -14.303 11.933 1.00 89.09 C +ATOM 2696 N GLY A 336 15.106 -15.092 19.166 1.00 94.54 N +ATOM 2697 CA GLY A 336 15.884 -15.447 20.342 1.00 94.67 C +ATOM 2698 C GLY A 336 17.127 -14.595 20.515 1.00 94.17 C +ATOM 2699 O GLY A 336 17.973 -14.886 21.363 1.00 93.10 O +ATOM 2700 N LYS A 337 17.239 -13.601 19.664 1.00 92.65 N +ATOM 2701 CA LYS A 337 18.355 -12.680 19.857 1.00 92.47 C +ATOM 2702 C LYS A 337 18.078 -11.714 21.006 1.00 92.00 C +ATOM 2703 CB LYS A 337 18.635 -11.899 18.572 1.00 91.45 C +ATOM 2704 O LYS A 337 17.105 -10.958 20.968 1.00 90.79 O +ATOM 2705 CG LYS A 337 19.133 -12.760 17.421 1.00 88.45 C +ATOM 2706 CD LYS A 337 19.532 -11.912 16.220 1.00 86.82 C +ATOM 2707 CE LYS A 337 20.061 -12.771 15.079 1.00 84.74 C +ATOM 2708 NZ LYS A 337 20.482 -11.941 13.911 1.00 83.97 N +ATOM 2709 N LYS A 338 18.906 -11.731 22.057 1.00 90.67 N +ATOM 2710 CA LYS A 338 18.940 -10.664 23.052 1.00 89.68 C +ATOM 2711 C LYS A 338 19.317 -9.330 22.414 1.00 88.54 C +ATOM 2712 CB LYS A 338 19.925 -11.005 24.172 1.00 88.59 C +ATOM 2713 O LYS A 338 20.427 -9.171 21.903 1.00 86.21 O +ATOM 2714 CG LYS A 338 19.501 -12.190 25.028 1.00 85.33 C +ATOM 2715 CD LYS A 338 20.460 -12.410 26.191 1.00 84.34 C +ATOM 2716 CE LYS A 338 20.034 -13.591 27.053 1.00 82.44 C +ATOM 2717 NZ LYS A 338 20.946 -13.784 28.219 1.00 81.61 N +ATOM 2718 N VAL A 339 18.363 -8.562 22.278 1.00 87.98 N +ATOM 2719 CA VAL A 339 18.648 -7.150 22.047 1.00 87.42 C +ATOM 2720 C VAL A 339 19.085 -6.491 23.353 1.00 86.45 C +ATOM 2721 CB VAL A 339 17.422 -6.412 21.463 1.00 86.39 C +ATOM 2722 O VAL A 339 18.323 -6.449 24.321 1.00 84.01 O +ATOM 2723 CG1 VAL A 339 17.777 -4.968 21.113 1.00 83.44 C +ATOM 2724 CG2 VAL A 339 16.894 -7.148 20.233 1.00 83.17 C +ATOM 2725 N ASP A 340 20.380 -6.109 23.430 1.00 84.96 N +ATOM 2726 CA ASP A 340 20.833 -5.236 24.509 1.00 84.28 C +ATOM 2727 C ASP A 340 20.098 -3.898 24.478 1.00 83.51 C +ATOM 2728 CB ASP A 340 22.344 -5.009 24.416 1.00 82.27 C +ATOM 2729 O ASP A 340 20.486 -2.988 23.742 1.00 80.85 O +ATOM 2730 CG ASP A 340 23.151 -6.254 24.738 1.00 78.60 C +ATOM 2731 OD1 ASP A 340 22.696 -7.082 25.556 1.00 76.61 O +ATOM 2732 OD2 ASP A 340 24.255 -6.407 24.171 1.00 79.31 O +ATOM 2733 N ASP A 341 18.976 -3.831 25.294 1.00 80.06 N +ATOM 2734 CA ASP A 341 18.170 -2.629 25.484 1.00 78.87 C +ATOM 2735 C ASP A 341 18.974 -1.533 26.180 1.00 77.73 C +ATOM 2736 CB ASP A 341 16.910 -2.949 26.292 1.00 76.83 C +ATOM 2737 O ASP A 341 18.545 -0.378 26.231 1.00 73.74 O +ATOM 2738 CG ASP A 341 15.784 -3.504 25.438 1.00 72.32 C +ATOM 2739 OD1 ASP A 341 15.779 -3.273 24.210 1.00 69.50 O +ATOM 2740 OD2 ASP A 341 14.891 -4.176 25.999 1.00 70.35 O +ATOM 2741 N GLY A 342 20.082 -1.907 26.721 1.00 75.14 N +ATOM 2742 CA GLY A 342 20.890 -1.234 27.725 1.00 73.57 C +ATOM 2743 C GLY A 342 21.672 -0.057 27.172 1.00 73.63 C +ATOM 2744 O GLY A 342 22.243 0.728 27.933 1.00 67.99 O +ATOM 2745 N SER A 343 21.525 0.160 25.883 1.00 71.05 N +ATOM 2746 CA SER A 343 22.323 1.247 25.326 1.00 69.77 C +ATOM 2747 C SER A 343 21.509 2.532 25.219 1.00 70.04 C +ATOM 2748 CB SER A 343 22.868 0.863 23.950 1.00 65.83 C +ATOM 2749 O SER A 343 22.064 3.606 24.976 1.00 65.15 O +ATOM 2750 OG SER A 343 21.848 0.294 23.146 1.00 63.34 O +ATOM 2751 N GLU A 344 20.176 2.533 25.894 1.00 67.21 N +ATOM 2752 CA GLU A 344 19.615 3.848 25.601 1.00 66.57 C +ATOM 2753 C GLU A 344 18.468 4.183 26.550 1.00 66.99 C +ATOM 2754 CB GLU A 344 19.134 3.917 24.149 1.00 62.41 C +ATOM 2755 O GLU A 344 18.116 5.353 26.718 1.00 62.95 O +ATOM 2756 CG GLU A 344 20.174 4.463 23.182 1.00 60.10 C +ATOM 2757 CD GLU A 344 19.619 4.728 21.791 1.00 59.64 C +ATOM 2758 OE1 GLU A 344 18.512 4.235 21.475 1.00 59.97 O +ATOM 2759 OE2 GLU A 344 20.297 5.432 21.010 1.00 54.05 O +ATOM 2760 N VAL A 345 18.001 3.153 27.395 1.00 64.14 N +ATOM 2761 CA VAL A 345 16.842 3.482 28.218 1.00 63.52 C +ATOM 2762 C VAL A 345 17.303 3.981 29.585 1.00 64.24 C +ATOM 2763 CB VAL A 345 15.900 2.269 28.383 1.00 60.41 C +ATOM 2764 O VAL A 345 16.519 4.568 30.335 1.00 61.91 O +ATOM 2765 CG1 VAL A 345 14.696 2.633 29.249 1.00 55.32 C +ATOM 2766 CG2 VAL A 345 15.444 1.757 27.017 1.00 56.49 C +ATOM 2767 N SER A 346 18.630 3.972 29.747 1.00 64.46 N +ATOM 2768 CA SER A 346 19.066 4.271 31.107 1.00 64.14 C +ATOM 2769 C SER A 346 19.331 5.762 31.287 1.00 64.49 C +ATOM 2770 CB SER A 346 20.325 3.476 31.454 1.00 59.75 C +ATOM 2771 O SER A 346 19.681 6.208 32.382 1.00 61.21 O +ATOM 2772 OG SER A 346 20.053 2.085 31.473 1.00 59.55 O +ATOM 2773 N SER A 347 18.920 6.611 30.227 1.00 64.85 N +ATOM 2774 CA SER A 347 19.338 7.996 30.421 1.00 65.05 C +ATOM 2775 C SER A 347 18.136 8.918 30.590 1.00 64.88 C +ATOM 2776 CB SER A 347 20.191 8.468 29.242 1.00 61.02 C +ATOM 2777 O SER A 347 18.277 10.052 31.052 1.00 61.85 O +ATOM 2778 OG SER A 347 19.708 7.928 28.024 1.00 60.55 O +ATOM 2779 N THR A 348 16.831 8.406 30.405 1.00 63.95 N +ATOM 2780 CA THR A 348 15.779 9.412 30.310 1.00 64.51 C +ATOM 2781 C THR A 348 14.868 9.359 31.534 1.00 64.04 C +ATOM 2782 CB THR A 348 14.939 9.224 29.033 1.00 60.66 C +ATOM 2783 O THR A 348 14.156 10.322 31.826 1.00 61.77 O +ATOM 2784 CG2 THR A 348 14.603 10.567 28.394 1.00 55.63 C +ATOM 2785 OG1 THR A 348 15.678 8.433 28.095 1.00 58.39 O +ATOM 2786 N SER A 349 15.018 8.365 32.424 1.00 63.33 N +ATOM 2787 CA SER A 349 13.987 8.238 33.448 1.00 63.54 C +ATOM 2788 C SER A 349 14.457 8.812 34.780 1.00 64.25 C +ATOM 2789 CB SER A 349 13.587 6.772 33.628 1.00 59.33 C +ATOM 2790 O SER A 349 13.702 8.832 35.755 1.00 62.43 O +ATOM 2791 OG SER A 349 12.381 6.667 34.365 1.00 57.94 O +ATOM 2792 N LYS A 350 15.520 9.508 34.805 1.00 66.34 N +ATOM 2793 CA LYS A 350 15.903 9.944 36.145 1.00 66.02 C +ATOM 2794 C LYS A 350 15.900 11.467 36.249 1.00 66.78 C +ATOM 2795 CB LYS A 350 17.282 9.396 36.514 1.00 62.54 C +ATOM 2796 O LYS A 350 16.211 12.022 37.305 1.00 64.30 O +ATOM 2797 CG LYS A 350 17.251 8.001 37.122 1.00 62.00 C +ATOM 2798 CD LYS A 350 18.626 7.579 37.623 1.00 62.23 C +ATOM 2799 CE LYS A 350 18.576 6.230 38.327 1.00 64.82 C +ATOM 2800 NZ LYS A 350 19.919 5.820 38.835 1.00 57.68 N +ATOM 2801 N THR A 351 15.491 12.181 35.171 1.00 64.34 N +ATOM 2802 CA THR A 351 15.772 13.608 35.288 1.00 65.71 C +ATOM 2803 C THR A 351 14.480 14.400 35.467 1.00 63.62 C +ATOM 2804 CB THR A 351 16.532 14.131 34.056 1.00 59.18 C +ATOM 2805 O THR A 351 14.513 15.576 35.836 1.00 59.88 O +ATOM 2806 CG2 THR A 351 17.311 15.400 34.387 1.00 52.54 C +ATOM 2807 OG1 THR A 351 17.448 13.125 33.604 1.00 55.40 O +ATOM 2808 N GLU A 352 13.189 13.796 35.752 1.00 66.97 N +ATOM 2809 CA GLU A 352 12.202 14.871 35.761 1.00 66.77 C +ATOM 2810 C GLU A 352 11.193 14.684 36.891 1.00 67.48 C +ATOM 2811 CB GLU A 352 11.476 14.946 34.415 1.00 60.72 C +ATOM 2812 O GLU A 352 10.145 15.332 36.908 1.00 64.21 O +ATOM 2813 CG GLU A 352 11.990 16.048 33.500 1.00 58.60 C +ATOM 2814 CD GLU A 352 11.221 16.149 32.192 1.00 59.81 C +ATOM 2815 OE1 GLU A 352 10.512 15.183 31.829 1.00 61.85 O +ATOM 2816 OE2 GLU A 352 11.330 17.202 31.525 1.00 54.32 O +ATOM 2817 N VAL A 353 11.541 13.978 37.965 1.00 65.49 N +ATOM 2818 CA VAL A 353 10.511 13.980 38.999 1.00 66.68 C +ATOM 2819 C VAL A 353 11.040 14.670 40.254 1.00 67.59 C +ATOM 2820 CB VAL A 353 10.041 12.547 39.336 1.00 61.62 C +ATOM 2821 O VAL A 353 10.475 14.517 41.339 1.00 66.31 O +ATOM 2822 CG1 VAL A 353 8.937 12.575 40.391 1.00 55.68 C +ATOM 2823 CG2 VAL A 353 9.561 11.833 38.074 1.00 56.06 C +ATOM 2824 N SER A 354 12.075 15.498 40.117 1.00 68.92 N +ATOM 2825 CA SER A 354 12.505 15.981 41.425 1.00 70.13 C +ATOM 2826 C SER A 354 12.382 17.497 41.523 1.00 69.44 C +ATOM 2827 CB SER A 354 13.948 15.559 41.705 1.00 63.71 C +ATOM 2828 O SER A 354 12.953 18.115 42.424 1.00 65.81 O +ATOM 2829 OG SER A 354 14.009 14.684 42.819 1.00 60.49 O +ATOM 2830 N SER A 355 11.411 18.218 40.815 1.00 73.94 N +ATOM 2831 CA SER A 355 11.503 19.605 41.259 1.00 74.50 C +ATOM 2832 C SER A 355 10.215 20.367 40.966 1.00 74.55 C +ATOM 2833 CB SER A 355 12.684 20.306 40.585 1.00 67.92 C +ATOM 2834 O SER A 355 10.254 21.499 40.480 1.00 70.59 O +ATOM 2835 OG SER A 355 12.462 20.438 39.192 1.00 63.60 O +ATOM 2836 N VAL A 356 9.084 19.773 40.893 1.00 72.17 N +ATOM 2837 CA VAL A 356 7.936 20.662 41.035 1.00 74.17 C +ATOM 2838 C VAL A 356 7.362 20.545 42.446 1.00 75.62 C +ATOM 2839 CB VAL A 356 6.843 20.352 39.988 1.00 68.25 C +ATOM 2840 O VAL A 356 6.361 19.857 42.660 1.00 73.47 O +ATOM 2841 CG1 VAL A 356 5.709 21.371 40.072 1.00 62.72 C +ATOM 2842 CG2 VAL A 356 7.443 20.329 38.583 1.00 61.09 C +ATOM 2843 N ALA A 357 8.051 21.064 43.471 1.00 79.43 N +ATOM 2844 CA ALA A 357 7.434 21.457 44.735 1.00 81.51 C +ATOM 2845 C ALA A 357 6.343 22.501 44.511 1.00 83.12 C +ATOM 2846 CB ALA A 357 8.490 21.993 45.699 1.00 77.16 C +ATOM 2847 O ALA A 357 6.562 23.497 43.818 1.00 81.34 O +ATOM 2848 N PRO A 358 5.018 22.107 44.859 1.00 83.00 N +ATOM 2849 CA PRO A 358 4.042 23.197 44.941 1.00 84.73 C +ATOM 2850 C PRO A 358 4.548 24.382 45.760 1.00 86.39 C +ATOM 2851 CB PRO A 358 2.837 22.540 45.620 1.00 80.75 C +ATOM 2852 O PRO A 358 5.032 24.202 46.880 1.00 85.18 O +ATOM 2853 CG PRO A 358 3.419 21.449 46.459 1.00 76.26 C +ATOM 2854 CD PRO A 358 4.701 20.992 45.826 1.00 77.72 C +ATOM 2855 N ALA A 359 4.569 25.588 45.105 1.00 84.84 N +ATOM 2856 CA ALA A 359 4.527 26.766 45.968 1.00 86.44 C +ATOM 2857 C ALA A 359 3.242 26.798 46.790 1.00 87.15 C +ATOM 2858 CB ALA A 359 4.656 28.040 45.136 1.00 81.33 C +ATOM 2859 O ALA A 359 2.191 26.350 46.327 1.00 85.11 O +TER 2860 ALA A 359 +END diff --git a/examples/ex_structures/C_phantasticus_LWS2_esmfold.pdb b/examples/ex_structures/C_phantasticus_LWS2_esmfold.pdb new file mode 100644 index 00000000..4d4545e1 --- /dev/null +++ b/examples/ex_structures/C_phantasticus_LWS2_esmfold.pdb @@ -0,0 +1,2810 @@ +PARENT N/A +ATOM 1 N MET A 1 -19.579 18.856 -44.696 1.00 84.08 N +ATOM 2 CA MET A 1 -20.666 18.031 -44.178 1.00 87.20 C +ATOM 3 C MET A 1 -20.506 16.580 -44.620 1.00 84.61 C +ATOM 4 CB MET A 1 -22.020 18.572 -44.640 1.00 81.64 C +ATOM 5 O MET A 1 -20.640 15.661 -43.810 1.00 81.42 O +ATOM 6 CG MET A 1 -22.557 19.701 -43.774 1.00 75.57 C +ATOM 7 SD MET A 1 -24.257 20.203 -44.249 1.00 87.30 S +ATOM 8 CE MET A 1 -24.271 21.909 -43.630 1.00 78.25 C +ATOM 9 N ALA A 2 -20.013 16.371 -45.861 1.00 89.05 N +ATOM 10 CA ALA A 2 -19.929 15.027 -46.426 1.00 90.76 C +ATOM 11 C ALA A 2 -18.938 14.166 -45.648 1.00 86.47 C +ATOM 12 CB ALA A 2 -19.529 15.093 -47.898 1.00 87.68 C +ATOM 13 O ALA A 2 -19.248 13.030 -45.282 1.00 83.39 O +ATOM 14 N ASP A 3 -17.887 14.764 -45.273 1.00 90.13 N +ATOM 15 CA ASP A 3 -16.832 14.020 -44.593 1.00 91.00 C +ATOM 16 C ASP A 3 -17.306 13.513 -43.233 1.00 86.23 C +ATOM 17 CB ASP A 3 -15.585 14.890 -44.424 1.00 87.31 C +ATOM 18 O ASP A 3 -16.931 12.418 -42.808 1.00 82.92 O +ATOM 19 CG ASP A 3 -14.957 15.289 -45.748 1.00 81.34 C +ATOM 20 OD1 ASP A 3 -15.084 14.534 -46.736 1.00 79.88 O +ATOM 21 OD2 ASP A 3 -14.326 16.367 -45.803 1.00 85.34 O +ATOM 22 N ARG A 4 -18.095 14.237 -42.548 1.00 89.53 N +ATOM 23 CA ARG A 4 -18.576 13.841 -41.228 1.00 89.87 C +ATOM 24 C ARG A 4 -19.563 12.682 -41.329 1.00 84.99 C +ATOM 25 CB ARG A 4 -19.232 15.027 -40.516 1.00 89.06 C +ATOM 26 O ARG A 4 -19.621 11.830 -40.441 1.00 82.77 O +ATOM 27 CG ARG A 4 -18.243 15.962 -39.840 1.00 89.26 C +ATOM 28 CD ARG A 4 -18.948 16.994 -38.970 1.00 87.52 C +ATOM 29 NE ARG A 4 -17.994 17.839 -38.257 1.00 91.52 N +ATOM 30 NH1 ARG A 4 -19.582 18.866 -36.930 1.00 87.22 N +ATOM 31 NH2 ARG A 4 -17.369 19.428 -36.721 1.00 85.73 N +ATOM 32 CZ ARG A 4 -18.317 18.709 -37.304 1.00 85.96 C +ATOM 33 N VAL A 5 -20.310 12.599 -42.390 1.00 89.91 N +ATOM 34 CA VAL A 5 -21.277 11.526 -42.597 1.00 91.06 C +ATOM 35 C VAL A 5 -20.546 10.232 -42.946 1.00 86.32 C +ATOM 36 CB VAL A 5 -22.291 11.881 -43.707 1.00 90.24 C +ATOM 37 O VAL A 5 -20.866 9.167 -42.413 1.00 83.50 O +ATOM 38 CG1 VAL A 5 -23.232 10.708 -43.975 1.00 89.39 C +ATOM 39 CG2 VAL A 5 -23.085 13.129 -43.324 1.00 88.32 C +ATOM 40 N MET A 6 -19.461 10.357 -43.773 1.00 89.71 N +ATOM 41 CA MET A 6 -18.666 9.192 -44.150 1.00 90.34 C +ATOM 42 C MET A 6 -17.928 8.624 -42.942 1.00 82.97 C +ATOM 43 CB MET A 6 -17.667 9.555 -45.250 1.00 86.97 C +ATOM 44 O MET A 6 -17.831 7.405 -42.785 1.00 78.40 O +ATOM 45 CG MET A 6 -18.272 9.577 -46.644 1.00 80.56 C +ATOM 46 SD MET A 6 -17.137 8.893 -47.913 1.00 90.72 S +ATOM 47 CE MET A 6 -16.177 10.378 -48.319 1.00 82.81 C +ATOM 48 N PHE A 7 -17.478 9.491 -42.072 1.00 90.59 N +ATOM 49 CA PHE A 7 -16.791 9.045 -40.866 1.00 90.72 C +ATOM 50 C PHE A 7 -17.759 8.348 -39.918 1.00 84.41 C +ATOM 51 CB PHE A 7 -16.122 10.227 -40.158 1.00 87.44 C +ATOM 52 O PHE A 7 -17.410 7.343 -39.294 1.00 80.29 O +ATOM 53 CG PHE A 7 -15.076 9.821 -39.156 1.00 79.98 C +ATOM 54 CD1 PHE A 7 -15.388 9.724 -37.805 1.00 74.13 C +ATOM 55 CD2 PHE A 7 -13.779 9.537 -39.565 1.00 73.99 C +ATOM 56 CE1 PHE A 7 -14.421 9.349 -36.875 1.00 74.37 C +ATOM 57 CE2 PHE A 7 -12.808 9.161 -38.641 1.00 68.07 C +ATOM 58 CZ PHE A 7 -13.131 9.068 -37.297 1.00 74.69 C +ATOM 59 N SER A 8 -18.985 8.734 -39.823 1.00 89.96 N +ATOM 60 CA SER A 8 -19.978 8.110 -38.954 1.00 90.83 C +ATOM 61 C SER A 8 -20.414 6.753 -39.498 1.00 88.86 C +ATOM 62 CB SER A 8 -21.197 9.019 -38.792 1.00 88.04 C +ATOM 63 O SER A 8 -20.527 5.784 -38.745 1.00 87.22 O +ATOM 64 OG SER A 8 -22.236 8.629 -39.673 1.00 76.00 O +ATOM 65 N ALA A 9 -20.614 6.539 -40.849 1.00 89.45 N +ATOM 66 CA ALA A 9 -21.022 5.283 -41.474 1.00 90.40 C +ATOM 67 C ALA A 9 -19.933 4.223 -41.335 1.00 85.25 C +ATOM 68 CB ALA A 9 -21.359 5.506 -42.946 1.00 89.19 C +ATOM 69 O ALA A 9 -20.219 3.069 -41.007 1.00 82.54 O +ATOM 70 N ARG A 10 -18.655 4.645 -41.511 1.00 92.19 N +ATOM 71 CA ARG A 10 -17.545 3.711 -41.350 1.00 92.05 C +ATOM 72 C ARG A 10 -17.432 3.239 -39.904 1.00 86.73 C +ATOM 73 CB ARG A 10 -16.230 4.355 -41.795 1.00 90.20 C +ATOM 74 O ARG A 10 -17.270 2.045 -39.646 1.00 83.65 O +ATOM 75 CG ARG A 10 -15.143 3.354 -42.150 1.00 87.48 C +ATOM 76 CD ARG A 10 -13.921 4.036 -42.750 1.00 87.03 C +ATOM 77 NE ARG A 10 -12.893 3.070 -43.124 1.00 88.90 N +ATOM 78 NH1 ARG A 10 -11.396 4.651 -43.896 1.00 82.68 N +ATOM 79 NH2 ARG A 10 -10.855 2.424 -43.963 1.00 80.89 N +ATOM 80 CZ ARG A 10 -11.717 3.384 -43.660 1.00 82.80 C +ATOM 81 N ARG A 11 -17.656 4.165 -38.946 1.00 89.36 N +ATOM 82 CA ARG A 11 -17.596 3.764 -37.545 1.00 88.93 C +ATOM 83 C ARG A 11 -18.727 2.800 -37.202 1.00 86.74 C +ATOM 84 CB ARG A 11 -17.658 4.990 -36.631 1.00 86.59 C +ATOM 85 O ARG A 11 -18.518 1.820 -36.484 1.00 84.85 O +ATOM 86 CG ARG A 11 -17.236 4.713 -35.197 1.00 82.23 C +ATOM 87 CD ARG A 11 -17.169 5.990 -34.372 1.00 82.63 C +ATOM 88 NE ARG A 11 -16.724 5.726 -33.006 1.00 81.96 N +ATOM 89 NH1 ARG A 11 -16.641 7.949 -32.383 1.00 76.36 N +ATOM 90 NH2 ARG A 11 -16.083 6.311 -30.880 1.00 73.41 N +ATOM 91 CZ ARG A 11 -16.483 6.663 -32.093 1.00 76.80 C +ATOM 92 N HIS A 12 -19.931 2.967 -37.728 1.00 90.31 N +ATOM 93 CA HIS A 12 -21.049 2.069 -37.462 1.00 91.30 C +ATOM 94 C HIS A 12 -20.807 0.692 -38.071 1.00 89.84 C +ATOM 95 CB HIS A 12 -22.352 2.660 -38.004 1.00 88.99 C +ATOM 96 O HIS A 12 -21.087 -0.329 -37.439 1.00 88.20 O +ATOM 97 CG HIS A 12 -23.515 2.500 -37.076 1.00 81.06 C +ATOM 98 CD2 HIS A 12 -24.247 3.418 -36.402 1.00 74.56 C +ATOM 99 ND1 HIS A 12 -24.044 1.270 -36.753 1.00 74.14 N +ATOM 100 CE1 HIS A 12 -25.055 1.438 -35.917 1.00 75.67 C +ATOM 101 NE2 HIS A 12 -25.199 2.732 -35.688 1.00 84.62 N +ATOM 102 N HIS A 13 -20.225 0.592 -39.363 1.00 90.91 N +ATOM 103 CA HIS A 13 -19.928 -0.679 -40.014 1.00 91.48 C +ATOM 104 C HIS A 13 -18.820 -1.428 -39.281 1.00 86.54 C +ATOM 105 CB HIS A 13 -19.532 -0.453 -41.474 1.00 89.97 C +ATOM 106 O HIS A 13 -18.899 -2.646 -39.106 1.00 82.95 O +ATOM 107 CG HIS A 13 -19.430 -1.714 -42.271 1.00 86.89 C +ATOM 108 CD2 HIS A 13 -19.614 -1.950 -43.591 1.00 81.55 C +ATOM 109 ND1 HIS A 13 -19.105 -2.928 -41.704 1.00 79.02 N +ATOM 110 CE1 HIS A 13 -19.093 -3.857 -42.645 1.00 85.47 C +ATOM 111 NE2 HIS A 13 -19.399 -3.290 -43.799 1.00 91.71 N +ATOM 112 N GLU A 14 -17.786 -0.675 -38.767 1.00 89.78 N +ATOM 113 CA GLU A 14 -16.724 -1.292 -37.978 1.00 89.10 C +ATOM 114 C GLU A 14 -17.249 -1.778 -36.630 1.00 85.27 C +ATOM 115 CB GLU A 14 -15.569 -0.309 -37.769 1.00 86.83 C +ATOM 116 O GLU A 14 -16.884 -2.861 -36.170 1.00 81.81 O +ATOM 117 CG GLU A 14 -14.674 -0.143 -38.989 1.00 82.78 C +ATOM 118 CD GLU A 14 -13.643 0.964 -38.830 1.00 83.29 C +ATOM 119 OE1 GLU A 14 -13.659 1.664 -37.793 1.00 84.06 O +ATOM 120 OE2 GLU A 14 -12.814 1.132 -39.752 1.00 88.13 O +ATOM 121 N GLU A 15 -18.205 -1.035 -36.010 1.00 86.54 N +ATOM 122 CA GLU A 15 -18.822 -1.464 -34.759 1.00 86.80 C +ATOM 123 C GLU A 15 -19.715 -2.682 -34.973 1.00 86.16 C +ATOM 124 CB GLU A 15 -19.631 -0.322 -34.138 1.00 84.74 C +ATOM 125 O GLU A 15 -19.717 -3.608 -34.159 1.00 84.88 O +ATOM 126 CG GLU A 15 -18.780 0.712 -33.415 1.00 79.88 C +ATOM 127 CD GLU A 15 -19.598 1.825 -32.779 1.00 79.95 C +ATOM 128 OE1 GLU A 15 -20.842 1.822 -32.925 1.00 81.69 O +ATOM 129 OE2 GLU A 15 -18.991 2.706 -32.131 1.00 84.72 O +ATOM 130 N GLU A 16 -20.518 -2.767 -36.103 1.00 87.19 N +ATOM 131 CA GLU A 16 -21.379 -3.907 -36.406 1.00 87.45 C +ATOM 132 C GLU A 16 -20.556 -5.148 -36.737 1.00 84.46 C +ATOM 133 CB GLU A 16 -22.322 -3.576 -37.565 1.00 85.61 C +ATOM 134 O GLU A 16 -20.846 -6.241 -36.246 1.00 81.61 O +ATOM 135 CG GLU A 16 -23.629 -2.929 -37.130 1.00 81.02 C +ATOM 136 CD GLU A 16 -24.671 -2.878 -38.236 1.00 79.66 C +ATOM 137 OE1 GLU A 16 -24.290 -2.879 -39.429 1.00 83.77 O +ATOM 138 OE2 GLU A 16 -25.877 -2.835 -37.907 1.00 87.72 O +ATOM 139 N THR A 17 -19.468 -5.015 -37.520 1.00 85.69 N +ATOM 140 CA THR A 17 -18.570 -6.115 -37.854 1.00 85.23 C +ATOM 141 C THR A 17 -17.876 -6.645 -36.602 1.00 80.73 C +ATOM 142 CB THR A 17 -17.512 -5.680 -38.885 1.00 82.78 C +ATOM 143 O THR A 17 -17.746 -7.858 -36.425 1.00 76.59 O +ATOM 144 CG2 THR A 17 -18.067 -5.751 -40.304 1.00 74.93 C +ATOM 145 OG1 THR A 17 -17.109 -4.334 -38.608 1.00 75.54 O +ATOM 146 N THR A 18 -17.469 -5.726 -35.673 1.00 79.80 N +ATOM 147 CA THR A 18 -16.875 -6.111 -34.397 1.00 79.19 C +ATOM 148 C THR A 18 -17.903 -6.809 -33.511 1.00 77.66 C +ATOM 149 CB THR A 18 -16.301 -4.889 -33.657 1.00 76.84 C +ATOM 150 O THR A 18 -17.601 -7.826 -32.884 1.00 75.03 O +ATOM 151 CG2 THR A 18 -15.529 -5.313 -32.412 1.00 68.28 C +ATOM 152 OG1 THR A 18 -15.418 -4.178 -34.533 1.00 68.56 O +ATOM 153 N ARG A 19 -19.153 -6.351 -33.477 1.00 78.24 N +ATOM 154 CA ARG A 19 -20.217 -6.988 -32.708 1.00 78.13 C +ATOM 155 C ARG A 19 -20.574 -8.351 -33.293 1.00 77.86 C +ATOM 156 CB ARG A 19 -21.459 -6.095 -32.666 1.00 77.84 C +ATOM 157 O ARG A 19 -20.730 -9.327 -32.556 1.00 77.31 O +ATOM 158 CG ARG A 19 -21.368 -4.962 -31.656 1.00 79.05 C +ATOM 159 CD ARG A 19 -22.628 -4.107 -31.653 1.00 80.70 C +ATOM 160 NE ARG A 19 -22.549 -3.034 -30.665 1.00 78.27 N +ATOM 161 NH1 ARG A 19 -24.769 -2.423 -30.847 1.00 75.24 N +ATOM 162 NH2 ARG A 19 -23.385 -1.313 -29.396 1.00 73.75 N +ATOM 163 CZ ARG A 19 -23.568 -2.259 -30.305 1.00 78.66 C +ATOM 164 N ALA A 20 -20.744 -8.518 -34.657 1.00 76.96 N +ATOM 165 CA ALA A 20 -21.049 -9.779 -35.328 1.00 76.53 C +ATOM 166 C ALA A 20 -19.925 -10.792 -35.130 1.00 74.37 C +ATOM 167 CB ALA A 20 -21.294 -9.545 -36.817 1.00 74.93 C +ATOM 168 O ALA A 20 -20.182 -11.977 -34.903 1.00 70.98 O +ATOM 169 N SER A 21 -18.640 -10.374 -35.179 1.00 72.35 N +ATOM 170 CA SER A 21 -17.498 -11.250 -34.941 1.00 71.46 C +ATOM 171 C SER A 21 -17.501 -11.786 -33.513 1.00 69.88 C +ATOM 172 CB SER A 21 -16.188 -10.511 -35.214 1.00 69.18 C +ATOM 173 O SER A 21 -17.214 -12.963 -33.286 1.00 67.40 O +ATOM 174 OG SER A 21 -16.027 -9.425 -34.317 1.00 66.74 O +ATOM 175 N ILE A 22 -17.921 -10.948 -32.503 1.00 66.12 N +ATOM 176 CA ILE A 22 -17.996 -11.369 -31.109 1.00 65.69 C +ATOM 177 C ILE A 22 -19.096 -12.416 -30.944 1.00 65.95 C +ATOM 178 CB ILE A 22 -18.253 -10.170 -30.169 1.00 63.64 C +ATOM 179 O ILE A 22 -18.919 -13.402 -30.224 1.00 65.29 O +ATOM 180 CG1 ILE A 22 -17.027 -9.250 -30.131 1.00 58.65 C +ATOM 181 CG2 ILE A 22 -18.619 -10.654 -28.763 1.00 59.68 C +ATOM 182 CD1 ILE A 22 -17.286 -7.901 -29.474 1.00 58.60 C +ATOM 183 N PHE A 23 -20.229 -12.361 -31.659 1.00 66.14 N +ATOM 184 CA PHE A 23 -21.388 -13.224 -31.467 1.00 66.78 C +ATOM 185 C PHE A 23 -21.220 -14.533 -32.229 1.00 66.17 C +ATOM 186 CB PHE A 23 -22.669 -12.515 -31.917 1.00 63.30 C +ATOM 187 O PHE A 23 -21.699 -15.580 -31.788 1.00 64.44 O +ATOM 188 CG PHE A 23 -23.491 -11.968 -30.782 1.00 60.58 C +ATOM 189 CD1 PHE A 23 -24.320 -12.801 -30.041 1.00 56.97 C +ATOM 190 CD2 PHE A 23 -23.435 -10.619 -30.455 1.00 59.62 C +ATOM 191 CE1 PHE A 23 -25.082 -12.298 -28.990 1.00 59.22 C +ATOM 192 CE2 PHE A 23 -24.194 -10.109 -29.406 1.00 57.68 C +ATOM 193 CZ PHE A 23 -25.018 -10.949 -28.675 1.00 57.95 C +ATOM 194 N THR A 24 -20.666 -14.545 -33.499 1.00 66.70 N +ATOM 195 CA THR A 24 -20.523 -15.740 -34.323 1.00 66.18 C +ATOM 196 C THR A 24 -19.519 -16.707 -33.702 1.00 65.58 C +ATOM 197 CB THR A 24 -20.077 -15.382 -35.753 1.00 62.42 C +ATOM 198 O THR A 24 -19.573 -17.912 -33.955 1.00 62.80 O +ATOM 199 CG2 THR A 24 -21.279 -15.211 -36.676 1.00 57.43 C +ATOM 200 OG1 THR A 24 -19.334 -14.157 -35.723 1.00 61.58 O +ATOM 201 N TYR A 25 -18.693 -16.249 -32.733 1.00 57.97 N +ATOM 202 CA TYR A 25 -17.681 -17.044 -32.046 1.00 58.83 C +ATOM 203 C TYR A 25 -18.319 -17.950 -30.998 1.00 58.01 C +ATOM 204 CB TYR A 25 -16.640 -16.136 -31.386 1.00 54.99 C +ATOM 205 O TYR A 25 -17.751 -18.983 -30.634 1.00 56.62 O +ATOM 206 CG TYR A 25 -15.250 -16.293 -31.954 1.00 53.76 C +ATOM 207 CD1 TYR A 25 -14.366 -17.236 -31.434 1.00 50.66 C +ATOM 208 CD2 TYR A 25 -14.818 -15.500 -33.011 1.00 51.67 C +ATOM 209 CE1 TYR A 25 -13.084 -17.383 -31.953 1.00 47.85 C +ATOM 210 CE2 TYR A 25 -13.538 -15.638 -33.538 1.00 49.67 C +ATOM 211 OH TYR A 25 -11.412 -16.723 -33.521 1.00 38.62 O +ATOM 212 CZ TYR A 25 -12.680 -16.581 -33.003 1.00 47.90 C +ATOM 213 N THR A 26 -19.583 -17.738 -30.579 1.00 57.58 N +ATOM 214 CA THR A 26 -20.261 -18.514 -29.547 1.00 58.73 C +ATOM 215 C THR A 26 -20.808 -19.817 -30.123 1.00 58.67 C +ATOM 216 CB THR A 26 -21.409 -17.711 -28.908 1.00 54.70 C +ATOM 217 O THR A 26 -21.181 -20.724 -29.375 1.00 58.47 O +ATOM 218 CG2 THR A 26 -20.870 -16.568 -28.053 1.00 49.15 C +ATOM 219 OG1 THR A 26 -22.239 -17.169 -29.942 1.00 49.83 O +ATOM 220 N ASN A 27 -20.719 -19.992 -31.489 1.00 61.74 N +ATOM 221 CA ASN A 27 -21.601 -21.075 -31.909 1.00 62.66 C +ATOM 222 C ASN A 27 -20.819 -22.220 -32.547 1.00 62.54 C +ATOM 223 CB ASN A 27 -22.666 -20.556 -32.878 1.00 57.10 C +ATOM 224 O ASN A 27 -21.382 -23.277 -32.835 1.00 60.15 O +ATOM 225 CG ASN A 27 -23.981 -21.298 -32.752 1.00 54.40 C +ATOM 226 ND2 ASN A 27 -24.914 -21.009 -33.652 1.00 54.41 N +ATOM 227 OD1 ASN A 27 -24.158 -22.125 -31.854 1.00 56.55 O +ATOM 228 N ASN A 28 -19.442 -22.061 -32.686 1.00 63.77 N +ATOM 229 CA ASN A 28 -18.610 -23.121 -33.246 1.00 64.41 C +ATOM 230 C ASN A 28 -17.900 -23.913 -32.152 1.00 63.95 C +ATOM 231 CB ASN A 28 -17.591 -22.542 -34.229 1.00 59.51 C +ATOM 232 O ASN A 28 -16.990 -23.399 -31.499 1.00 60.56 O +ATOM 233 CG ASN A 28 -17.380 -23.428 -35.441 1.00 57.69 C +ATOM 234 ND2 ASN A 28 -16.590 -22.950 -36.395 1.00 55.46 N +ATOM 235 OD1 ASN A 28 -17.922 -24.534 -35.519 1.00 57.13 O +ATOM 236 N ASN A 29 -18.292 -25.089 -31.720 1.00 61.40 N +ATOM 237 CA ASN A 29 -17.878 -26.072 -30.724 1.00 61.19 C +ATOM 238 C ASN A 29 -16.391 -26.394 -30.837 1.00 60.85 C +ATOM 239 CB ASN A 29 -18.709 -27.350 -30.853 1.00 56.74 C +ATOM 240 O ASN A 29 -15.870 -27.218 -30.084 1.00 58.00 O +ATOM 241 CG ASN A 29 -20.077 -27.225 -30.211 1.00 54.12 C +ATOM 242 ND2 ASN A 29 -20.959 -28.173 -30.505 1.00 51.49 N +ATOM 243 OD1 ASN A 29 -20.339 -26.284 -29.458 1.00 54.83 O +ATOM 244 N ASN A 30 -15.578 -25.733 -31.636 1.00 62.39 N +ATOM 245 CA ASN A 30 -14.126 -25.594 -31.635 1.00 61.71 C +ATOM 246 C ASN A 30 -13.699 -24.165 -31.313 1.00 61.63 C +ATOM 247 CB ASN A 30 -13.543 -26.031 -32.981 1.00 58.16 C +ATOM 248 O ASN A 30 -13.079 -23.496 -32.141 1.00 58.17 O +ATOM 249 CG ASN A 30 -13.334 -27.530 -33.067 1.00 56.01 C +ATOM 250 ND2 ASN A 30 -13.237 -28.046 -34.287 1.00 55.10 N +ATOM 251 OD1 ASN A 30 -13.262 -28.219 -32.046 1.00 55.83 O +ATOM 252 N THR A 31 -14.245 -23.568 -30.256 1.00 56.86 N +ATOM 253 CA THR A 31 -14.137 -22.246 -29.649 1.00 56.33 C +ATOM 254 C THR A 31 -12.730 -22.012 -29.109 1.00 57.15 C +ATOM 255 CB THR A 31 -15.162 -22.067 -28.514 1.00 51.93 C +ATOM 256 O THR A 31 -12.496 -22.116 -27.903 1.00 54.46 O +ATOM 257 CG2 THR A 31 -16.580 -21.954 -29.065 1.00 47.09 C +ATOM 258 OG1 THR A 31 -15.092 -23.195 -27.633 1.00 45.11 O +ATOM 259 N ARG A 32 -11.686 -22.242 -29.975 1.00 63.22 N +ATOM 260 CA ARG A 32 -10.538 -21.449 -29.547 1.00 61.76 C +ATOM 261 C ARG A 32 -10.932 -19.994 -29.318 1.00 62.87 C +ATOM 262 CB ARG A 32 -9.412 -21.532 -30.580 1.00 60.14 C +ATOM 263 O ARG A 32 -11.289 -19.286 -30.263 1.00 60.38 O +ATOM 264 CG ARG A 32 -8.712 -22.880 -30.623 1.00 58.02 C +ATOM 265 CD ARG A 32 -7.565 -22.889 -31.624 1.00 57.07 C +ATOM 266 NE ARG A 32 -6.876 -24.176 -31.642 1.00 49.25 N +ATOM 267 NH1 ARG A 32 -5.358 -23.574 -33.275 1.00 45.27 N +ATOM 268 NH2 ARG A 32 -5.290 -25.674 -32.360 1.00 41.66 N +ATOM 269 CZ ARG A 32 -5.843 -24.472 -32.426 1.00 59.07 C +ATOM 270 N ASP A 33 -11.223 -19.566 -28.092 1.00 60.86 N +ATOM 271 CA ASP A 33 -11.391 -18.177 -27.676 1.00 60.73 C +ATOM 272 C ASP A 33 -10.525 -17.243 -28.518 1.00 61.57 C +ATOM 273 CB ASP A 33 -11.051 -18.016 -26.193 1.00 58.96 C +ATOM 274 O ASP A 33 -9.302 -17.395 -28.563 1.00 60.49 O +ATOM 275 CG ASP A 33 -11.658 -16.767 -25.578 1.00 57.97 C +ATOM 276 OD1 ASP A 33 -11.884 -15.777 -26.306 1.00 56.54 O +ATOM 277 OD2 ASP A 33 -11.910 -16.773 -24.353 1.00 58.67 O +ATOM 278 N PRO A 34 -11.114 -16.450 -29.519 1.00 54.63 N +ATOM 279 CA PRO A 34 -10.297 -15.598 -30.387 1.00 53.27 C +ATOM 280 C PRO A 34 -9.311 -14.733 -29.606 1.00 54.77 C +ATOM 281 CB PRO A 34 -11.333 -14.731 -31.106 1.00 51.97 C +ATOM 282 O PRO A 34 -8.374 -14.180 -30.188 1.00 53.20 O +ATOM 283 CG PRO A 34 -12.510 -14.699 -30.185 1.00 50.02 C +ATOM 284 CD PRO A 34 -12.592 -16.017 -29.470 1.00 50.37 C +ATOM 285 N PHE A 35 -9.560 -14.796 -28.356 1.00 56.69 N +ATOM 286 CA PHE A 35 -8.717 -13.929 -27.541 1.00 56.97 C +ATOM 287 C PHE A 35 -7.502 -14.688 -27.021 1.00 56.78 C +ATOM 288 CB PHE A 35 -9.515 -13.350 -26.369 1.00 54.56 C +ATOM 289 O PHE A 35 -6.553 -14.082 -26.520 1.00 55.07 O +ATOM 290 CG PHE A 35 -10.651 -12.457 -26.790 1.00 53.11 C +ATOM 291 CD1 PHE A 35 -10.403 -11.190 -27.305 1.00 50.46 C +ATOM 292 CD2 PHE A 35 -11.967 -12.884 -26.671 1.00 50.45 C +ATOM 293 CE1 PHE A 35 -11.452 -10.361 -27.696 1.00 47.91 C +ATOM 294 CE2 PHE A 35 -13.020 -12.061 -27.059 1.00 49.09 C +ATOM 295 CZ PHE A 35 -12.761 -10.800 -27.570 1.00 48.73 C +ATOM 296 N VAL A 36 -7.508 -15.999 -27.091 1.00 61.02 N +ATOM 297 CA VAL A 36 -6.337 -16.834 -26.845 1.00 60.38 C +ATOM 298 C VAL A 36 -5.538 -16.996 -28.136 1.00 61.36 C +ATOM 299 CB VAL A 36 -6.735 -18.219 -26.288 1.00 58.63 C +ATOM 300 O VAL A 36 -5.771 -17.931 -28.906 1.00 59.55 O +ATOM 301 CG1 VAL A 36 -5.494 -19.023 -25.904 1.00 56.09 C +ATOM 302 CG2 VAL A 36 -7.666 -18.063 -25.087 1.00 57.29 C +ATOM 303 N GLY A 37 -4.751 -16.036 -28.365 1.00 61.16 N +ATOM 304 CA GLY A 37 -3.782 -16.171 -29.441 1.00 60.93 C +ATOM 305 C GLY A 37 -3.079 -17.515 -29.445 1.00 61.89 C +ATOM 306 O GLY A 37 -2.919 -18.141 -28.395 1.00 60.81 O +ATOM 307 N PRO A 38 -2.752 -18.141 -30.560 1.00 59.88 N +ATOM 308 CA PRO A 38 -2.294 -19.528 -30.677 1.00 58.18 C +ATOM 309 C PRO A 38 -1.034 -19.805 -29.861 1.00 60.74 C +ATOM 310 CB PRO A 38 -2.020 -19.684 -32.175 1.00 55.58 C +ATOM 311 O PRO A 38 -0.606 -20.957 -29.749 1.00 59.13 O +ATOM 312 CG PRO A 38 -1.767 -18.294 -32.663 1.00 53.02 C +ATOM 313 CD PRO A 38 -2.580 -17.342 -31.834 1.00 54.40 C +ATOM 314 N ASN A 39 -0.452 -18.772 -29.284 1.00 64.28 N +ATOM 315 CA ASN A 39 0.873 -18.894 -28.686 1.00 63.39 C +ATOM 316 C ASN A 39 0.815 -18.780 -27.165 1.00 64.16 C +ATOM 317 CB ASN A 39 1.822 -17.841 -29.262 1.00 58.76 C +ATOM 318 O ASN A 39 1.849 -18.644 -26.509 1.00 60.59 O +ATOM 319 CG ASN A 39 2.141 -18.079 -30.724 1.00 55.07 C +ATOM 320 ND2 ASN A 39 2.533 -17.023 -31.426 1.00 52.98 N +ATOM 321 OD1 ASN A 39 2.035 -19.204 -31.220 1.00 56.10 O +ATOM 322 N TYR A 40 -0.442 -18.718 -26.641 1.00 66.20 N +ATOM 323 CA TYR A 40 -0.497 -18.891 -25.194 1.00 65.40 C +ATOM 324 C TYR A 40 -0.250 -20.345 -24.809 1.00 66.67 C +ATOM 325 CB TYR A 40 -1.851 -18.429 -24.648 1.00 62.89 C +ATOM 326 O TYR A 40 -1.196 -21.101 -24.577 1.00 63.86 O +ATOM 327 CG TYR A 40 -1.999 -16.928 -24.584 1.00 60.64 C +ATOM 328 CD1 TYR A 40 -1.517 -16.207 -23.494 1.00 58.24 C +ATOM 329 CD2 TYR A 40 -2.623 -16.228 -25.611 1.00 58.62 C +ATOM 330 CE1 TYR A 40 -1.653 -14.824 -23.429 1.00 55.42 C +ATOM 331 CE2 TYR A 40 -2.764 -14.845 -25.557 1.00 53.93 C +ATOM 332 OH TYR A 40 -2.414 -12.784 -24.405 1.00 51.29 O +ATOM 333 CZ TYR A 40 -2.277 -14.153 -24.464 1.00 58.61 C +ATOM 334 N ASP A 41 1.032 -20.812 -25.089 1.00 67.15 N +ATOM 335 CA ASP A 41 1.410 -22.002 -24.332 1.00 66.64 C +ATOM 336 C ASP A 41 0.817 -21.970 -22.926 1.00 67.83 C +ATOM 337 CB ASP A 41 2.933 -22.130 -24.258 1.00 62.02 C +ATOM 338 O ASP A 41 1.213 -21.147 -22.098 1.00 63.99 O +ATOM 339 CG ASP A 41 3.549 -22.637 -25.550 1.00 57.61 C +ATOM 340 OD1 ASP A 41 2.878 -23.387 -26.293 1.00 58.76 O +ATOM 341 OD2 ASP A 41 4.717 -22.287 -25.827 1.00 61.55 O +ATOM 342 N ILE A 42 -0.188 -22.722 -22.724 1.00 68.54 N +ATOM 343 CA ILE A 42 -0.855 -22.890 -21.438 1.00 67.69 C +ATOM 344 C ILE A 42 0.176 -23.221 -20.361 1.00 69.80 C +ATOM 345 CB ILE A 42 -1.936 -23.993 -21.502 1.00 64.30 C +ATOM 346 O ILE A 42 0.833 -24.263 -20.422 1.00 68.42 O +ATOM 347 CG1 ILE A 42 -2.937 -23.695 -22.624 1.00 58.99 C +ATOM 348 CG2 ILE A 42 -2.649 -24.129 -20.154 1.00 59.52 C +ATOM 349 CD1 ILE A 42 -3.924 -24.823 -22.889 1.00 57.52 C +ATOM 350 N ALA A 43 0.745 -22.098 -19.722 1.00 77.54 N +ATOM 351 CA ALA A 43 1.511 -22.454 -18.530 1.00 78.27 C +ATOM 352 C ALA A 43 1.051 -23.794 -17.962 1.00 79.65 C +ATOM 353 CB ALA A 43 1.389 -21.361 -17.472 1.00 76.90 C +ATOM 354 O ALA A 43 -0.149 -24.078 -17.920 1.00 79.99 O +ATOM 355 N PRO A 44 1.940 -24.736 -17.656 1.00 79.89 N +ATOM 356 CA PRO A 44 1.531 -26.007 -17.053 1.00 80.97 C +ATOM 357 C PRO A 44 0.571 -25.822 -15.880 1.00 82.39 C +ATOM 358 CB PRO A 44 2.855 -26.617 -16.585 1.00 79.92 C +ATOM 359 O PRO A 44 0.743 -24.902 -15.077 1.00 83.19 O +ATOM 360 CG PRO A 44 3.895 -25.985 -17.453 1.00 80.60 C +ATOM 361 CD PRO A 44 3.458 -24.585 -17.778 1.00 81.60 C +ATOM 362 N ARG A 45 -0.457 -26.669 -15.666 1.00 80.56 N +ATOM 363 CA ARG A 45 -1.548 -26.590 -14.700 1.00 81.44 C +ATOM 364 C ARG A 45 -1.014 -26.394 -13.285 1.00 82.99 C +ATOM 365 CB ARG A 45 -2.415 -27.849 -14.763 1.00 79.74 C +ATOM 366 O ARG A 45 -1.650 -25.733 -12.461 1.00 83.68 O +ATOM 367 CG ARG A 45 -3.628 -27.808 -13.847 1.00 76.25 C +ATOM 368 CD ARG A 45 -4.546 -29.002 -14.073 1.00 75.27 C +ATOM 369 NE ARG A 45 -5.729 -28.941 -13.220 1.00 69.34 N +ATOM 370 NH1 ARG A 45 -6.655 -30.904 -14.012 1.00 68.96 N +ATOM 371 NH2 ARG A 45 -7.736 -29.693 -12.393 1.00 65.09 N +ATOM 372 CZ ARG A 45 -6.704 -29.846 -13.210 1.00 68.45 C +ATOM 373 N TRP A 46 0.253 -26.875 -12.952 1.00 85.35 N +ATOM 374 CA TRP A 46 0.859 -26.776 -11.629 1.00 87.26 C +ATOM 375 C TRP A 46 1.239 -25.334 -11.310 1.00 85.73 C +ATOM 376 CB TRP A 46 2.094 -27.675 -11.534 1.00 84.98 C +ATOM 377 O TRP A 46 1.194 -24.915 -10.151 1.00 83.60 O +ATOM 378 CG TRP A 46 3.210 -27.276 -12.453 1.00 83.98 C +ATOM 379 CD1 TRP A 46 3.507 -27.817 -13.673 1.00 81.37 C +ATOM 380 CD2 TRP A 46 4.182 -26.252 -12.221 1.00 84.82 C +ATOM 381 CE2 TRP A 46 5.038 -26.226 -13.344 1.00 87.79 C +ATOM 382 CE3 TRP A 46 4.412 -25.352 -11.171 1.00 85.85 C +ATOM 383 NE1 TRP A 46 4.605 -27.190 -14.214 1.00 84.77 N +ATOM 384 CH2 TRP A 46 6.311 -24.465 -12.406 1.00 85.00 C +ATOM 385 CZ2 TRP A 46 6.108 -25.334 -13.447 1.00 85.14 C +ATOM 386 CZ3 TRP A 46 5.477 -24.465 -11.276 1.00 85.39 C +ATOM 387 N VAL A 47 1.535 -24.520 -12.289 1.00 84.32 N +ATOM 388 CA VAL A 47 1.824 -23.103 -12.096 1.00 84.25 C +ATOM 389 C VAL A 47 0.557 -22.372 -11.658 1.00 84.16 C +ATOM 390 CB VAL A 47 2.394 -22.459 -13.380 1.00 83.23 C +ATOM 391 O VAL A 47 0.571 -21.628 -10.674 1.00 83.18 O +ATOM 392 CG1 VAL A 47 2.622 -20.962 -13.178 1.00 82.78 C +ATOM 393 CG2 VAL A 47 3.692 -23.150 -13.792 1.00 82.15 C +ATOM 394 N TYR A 48 -0.611 -22.679 -12.307 1.00 79.79 N +ATOM 395 CA TYR A 48 -1.896 -22.099 -11.934 1.00 80.09 C +ATOM 396 C TYR A 48 -2.297 -22.521 -10.526 1.00 81.15 C +ATOM 397 CB TYR A 48 -2.983 -22.512 -12.932 1.00 78.57 C +ATOM 398 O TYR A 48 -2.710 -21.688 -9.715 1.00 81.11 O +ATOM 399 CG TYR A 48 -2.816 -21.897 -14.300 1.00 74.93 C +ATOM 400 CD1 TYR A 48 -3.165 -20.569 -14.536 1.00 72.19 C +ATOM 401 CD2 TYR A 48 -2.310 -22.643 -15.360 1.00 72.44 C +ATOM 402 CE1 TYR A 48 -3.014 -19.999 -15.796 1.00 69.66 C +ATOM 403 CE2 TYR A 48 -2.156 -22.083 -16.624 1.00 69.44 C +ATOM 404 OH TYR A 48 -2.359 -20.203 -18.081 1.00 62.50 O +ATOM 405 CZ TYR A 48 -2.510 -20.763 -16.832 1.00 66.77 C +ATOM 406 N ASN A 49 -2.085 -23.746 -10.235 1.00 84.60 N +ATOM 407 CA ASN A 49 -2.352 -24.265 -8.897 1.00 85.42 C +ATOM 408 C ASN A 49 -1.450 -23.614 -7.853 1.00 86.19 C +ATOM 409 CB ASN A 49 -2.186 -25.786 -8.869 1.00 84.65 C +ATOM 410 O ASN A 49 -1.922 -23.187 -6.798 1.00 86.40 O +ATOM 411 CG ASN A 49 -3.267 -26.507 -9.650 1.00 84.03 C +ATOM 412 ND2 ASN A 49 -3.071 -27.800 -9.879 1.00 86.75 N +ATOM 413 OD1 ASN A 49 -4.269 -25.906 -10.046 1.00 85.83 O +ATOM 414 N ALA A 50 -0.177 -23.420 -8.146 1.00 87.10 N +ATOM 415 CA ALA A 50 0.775 -22.767 -7.250 1.00 87.36 C +ATOM 416 C ALA A 50 0.406 -21.303 -7.031 1.00 87.31 C +ATOM 417 CB ALA A 50 2.192 -22.879 -7.806 1.00 86.41 C +ATOM 418 O ALA A 50 0.380 -20.826 -5.893 1.00 86.69 O +ATOM 419 N CYS A 51 -0.033 -20.622 -8.065 1.00 84.69 N +ATOM 420 CA CYS A 51 -0.498 -19.241 -7.996 1.00 84.82 C +ATOM 421 C CYS A 51 -1.775 -19.136 -7.170 1.00 85.44 C +ATOM 422 CB CYS A 51 -0.741 -18.687 -9.400 1.00 83.40 C +ATOM 423 O CYS A 51 -1.908 -18.237 -6.338 1.00 84.91 O +ATOM 424 SG CYS A 51 0.773 -18.400 -10.342 1.00 84.67 S +ATOM 425 N THR A 52 -2.659 -20.052 -7.261 1.00 84.28 N +ATOM 426 CA THR A 52 -3.898 -20.107 -6.493 1.00 84.96 C +ATOM 427 C THR A 52 -3.607 -20.348 -5.015 1.00 86.12 C +ATOM 428 CB THR A 52 -4.833 -21.210 -7.021 1.00 84.01 C +ATOM 429 O THR A 52 -4.113 -19.628 -4.152 1.00 86.52 O +ATOM 430 CG2 THR A 52 -6.140 -21.245 -6.236 1.00 83.12 C +ATOM 431 OG1 THR A 52 -5.125 -20.960 -8.402 1.00 84.41 O +ATOM 432 N VAL A 53 -2.734 -21.279 -4.770 1.00 88.75 N +ATOM 433 CA VAL A 53 -2.338 -21.579 -3.398 1.00 89.49 C +ATOM 434 C VAL A 53 -1.656 -20.361 -2.778 1.00 89.68 C +ATOM 435 CB VAL A 53 -1.401 -22.805 -3.333 1.00 89.19 C +ATOM 436 O VAL A 53 -1.983 -19.962 -1.658 1.00 89.62 O +ATOM 437 CG1 VAL A 53 -0.803 -22.955 -1.935 1.00 90.03 C +ATOM 438 CG2 VAL A 53 -2.152 -24.073 -3.734 1.00 89.49 C +ATOM 439 N TRP A 54 -0.810 -19.721 -3.490 1.00 89.05 N +ATOM 440 CA TRP A 54 -0.149 -18.496 -3.050 1.00 89.79 C +ATOM 441 C TRP A 54 -1.168 -17.393 -2.783 1.00 89.55 C +ATOM 442 CB TRP A 54 0.867 -18.028 -4.095 1.00 88.83 C +ATOM 443 O TRP A 54 -1.144 -16.761 -1.724 1.00 88.56 O +ATOM 444 CG TRP A 54 1.494 -16.702 -3.784 1.00 86.08 C +ATOM 445 CD1 TRP A 54 1.264 -15.513 -4.418 1.00 83.07 C +ATOM 446 CD2 TRP A 54 2.458 -16.432 -2.762 1.00 84.27 C +ATOM 447 CE2 TRP A 54 2.769 -15.056 -2.834 1.00 85.72 C +ATOM 448 CE3 TRP A 54 3.090 -17.221 -1.791 1.00 84.75 C +ATOM 449 NE1 TRP A 54 2.028 -14.519 -3.851 1.00 84.11 N +ATOM 450 CH2 TRP A 54 4.289 -15.246 -1.029 1.00 83.39 C +ATOM 451 CZ2 TRP A 54 3.686 -14.452 -1.970 1.00 83.86 C +ATOM 452 CZ3 TRP A 54 4.001 -16.618 -0.932 1.00 83.80 C +ATOM 453 N MET A 55 -2.190 -17.208 -3.655 1.00 87.50 N +ATOM 454 CA MET A 55 -3.219 -16.184 -3.503 1.00 87.61 C +ATOM 455 C MET A 55 -4.086 -16.460 -2.279 1.00 88.78 C +ATOM 456 CB MET A 55 -4.092 -16.108 -4.756 1.00 85.41 C +ATOM 457 O MET A 55 -4.364 -15.554 -1.492 1.00 88.46 O +ATOM 458 CG MET A 55 -3.414 -15.429 -5.936 1.00 77.16 C +ATOM 459 SD MET A 55 -2.976 -13.682 -5.584 1.00 72.52 S +ATOM 460 CE MET A 55 -4.633 -12.955 -5.458 1.00 64.90 C +ATOM 461 N ILE A 56 -4.420 -17.722 -2.072 1.00 89.56 N +ATOM 462 CA ILE A 56 -5.173 -18.116 -0.887 1.00 90.54 C +ATOM 463 C ILE A 56 -4.360 -17.806 0.368 1.00 91.39 C +ATOM 464 CB ILE A 56 -5.546 -19.615 -0.927 1.00 90.07 C +ATOM 465 O ILE A 56 -4.878 -17.219 1.321 1.00 91.70 O +ATOM 466 CG1 ILE A 56 -6.583 -19.879 -2.025 1.00 90.17 C +ATOM 467 CG2 ILE A 56 -6.063 -20.080 0.438 1.00 89.87 C +ATOM 468 CD1 ILE A 56 -6.774 -21.352 -2.356 1.00 88.73 C +ATOM 469 N PHE A 57 -3.072 -18.109 0.358 1.00 92.96 N +ATOM 470 CA PHE A 57 -2.172 -17.784 1.459 1.00 93.50 C +ATOM 471 C PHE A 57 -2.115 -16.278 1.684 1.00 93.54 C +ATOM 472 CB PHE A 57 -0.767 -18.328 1.185 1.00 92.93 C +ATOM 473 O PHE A 57 -2.286 -15.806 2.811 1.00 93.23 O +ATOM 474 CG PHE A 57 0.264 -17.876 2.184 1.00 91.04 C +ATOM 475 CD1 PHE A 57 0.369 -18.496 3.424 1.00 89.03 C +ATOM 476 CD2 PHE A 57 1.129 -16.832 1.884 1.00 89.10 C +ATOM 477 CE1 PHE A 57 1.322 -18.081 4.351 1.00 88.44 C +ATOM 478 CE2 PHE A 57 2.084 -16.411 2.805 1.00 88.71 C +ATOM 479 CZ PHE A 57 2.178 -17.036 4.038 1.00 87.47 C +ATOM 480 N VAL A 58 -1.949 -15.451 0.638 1.00 91.01 N +ATOM 481 CA VAL A 58 -1.880 -13.995 0.712 1.00 91.28 C +ATOM 482 C VAL A 58 -3.187 -13.443 1.275 1.00 91.88 C +ATOM 483 CB VAL A 58 -1.590 -13.370 -0.671 1.00 89.99 C +ATOM 484 O VAL A 58 -3.175 -12.585 2.162 1.00 91.51 O +ATOM 485 CG1 VAL A 58 -1.805 -11.858 -0.637 1.00 85.16 C +ATOM 486 CG2 VAL A 58 -0.166 -13.700 -1.117 1.00 85.05 C +ATOM 487 N VAL A 59 -4.324 -13.942 0.919 1.00 92.31 N +ATOM 488 CA VAL A 59 -5.631 -13.518 1.410 1.00 92.98 C +ATOM 489 C VAL A 59 -5.729 -13.779 2.911 1.00 93.92 C +ATOM 490 CB VAL A 59 -6.778 -14.239 0.667 1.00 91.72 C +ATOM 491 O VAL A 59 -6.008 -12.865 3.690 1.00 93.95 O +ATOM 492 CG1 VAL A 59 -8.116 -13.976 1.356 1.00 87.89 C +ATOM 493 CG2 VAL A 59 -6.829 -13.795 -0.794 1.00 87.89 C +ATOM 494 N ILE A 60 -5.445 -15.026 3.311 1.00 95.45 N +ATOM 495 CA ILE A 60 -5.552 -15.412 4.714 1.00 95.93 C +ATOM 496 C ILE A 60 -4.593 -14.572 5.555 1.00 96.28 C +ATOM 497 CB ILE A 60 -5.260 -16.917 4.910 1.00 95.69 C +ATOM 498 O ILE A 60 -4.990 -13.996 6.570 1.00 96.25 O +ATOM 499 CG1 ILE A 60 -6.360 -17.763 4.258 1.00 95.18 C +ATOM 500 CG2 ILE A 60 -5.121 -17.250 6.398 1.00 94.97 C +ATOM 501 CD1 ILE A 60 -6.024 -19.245 4.161 1.00 93.76 C +ATOM 502 N ALA A 61 -3.369 -14.404 5.113 1.00 95.14 N +ATOM 503 CA ALA A 61 -2.341 -13.656 5.833 1.00 95.48 C +ATOM 504 C ALA A 61 -2.679 -12.169 5.882 1.00 95.70 C +ATOM 505 CB ALA A 61 -0.976 -13.868 5.184 1.00 94.65 C +ATOM 506 O ALA A 61 -2.570 -11.536 6.935 1.00 95.48 O +ATOM 507 N SER A 62 -3.171 -11.548 4.809 1.00 95.38 N +ATOM 508 CA SER A 62 -3.574 -10.148 4.724 1.00 95.59 C +ATOM 509 C SER A 62 -4.792 -9.870 5.598 1.00 95.80 C +ATOM 510 CB SER A 62 -3.876 -9.764 3.275 1.00 94.78 C +ATOM 511 O SER A 62 -4.785 -8.937 6.404 1.00 95.41 O +ATOM 512 OG SER A 62 -4.247 -8.399 3.184 1.00 86.39 O +ATOM 513 N LEU A 63 -5.786 -10.724 5.573 1.00 96.53 N +ATOM 514 CA LEU A 63 -6.968 -10.576 6.415 1.00 96.74 C +ATOM 515 C LEU A 63 -6.601 -10.682 7.892 1.00 96.86 C +ATOM 516 CB LEU A 63 -8.015 -11.635 6.060 1.00 96.38 C +ATOM 517 O LEU A 63 -7.080 -9.897 8.713 1.00 96.71 O +ATOM 518 CG LEU A 63 -8.731 -11.458 4.720 1.00 94.90 C +ATOM 519 CD1 LEU A 63 -9.668 -12.633 4.461 1.00 92.90 C +ATOM 520 CD2 LEU A 63 -9.498 -10.140 4.693 1.00 92.68 C +ATOM 521 N PHE A 64 -5.744 -11.615 8.211 1.00 96.68 N +ATOM 522 CA PHE A 64 -5.279 -11.778 9.584 1.00 96.88 C +ATOM 523 C PHE A 64 -4.488 -10.556 10.036 1.00 96.80 C +ATOM 524 CB PHE A 64 -4.418 -13.038 9.715 1.00 96.59 C +ATOM 525 O PHE A 64 -4.812 -9.943 11.056 1.00 96.48 O +ATOM 526 CG PHE A 64 -3.841 -13.238 11.091 1.00 95.33 C +ATOM 527 CD1 PHE A 64 -4.628 -13.731 12.125 1.00 93.57 C +ATOM 528 CD2 PHE A 64 -2.511 -12.934 11.350 1.00 93.48 C +ATOM 529 CE1 PHE A 64 -4.097 -13.917 13.399 1.00 92.61 C +ATOM 530 CE2 PHE A 64 -1.973 -13.118 12.621 1.00 92.44 C +ATOM 531 CZ PHE A 64 -2.768 -13.608 13.644 1.00 91.99 C +ATOM 532 N THR A 65 -3.462 -10.072 9.293 1.00 95.87 N +ATOM 533 CA THR A 65 -2.557 -9.003 9.700 1.00 96.02 C +ATOM 534 C THR A 65 -3.280 -7.659 9.713 1.00 96.07 C +ATOM 535 CB THR A 65 -1.334 -8.921 8.769 1.00 95.33 C +ATOM 536 O THR A 65 -3.201 -6.915 10.693 1.00 95.72 O +ATOM 537 CG2 THR A 65 -0.423 -10.132 8.950 1.00 91.72 C +ATOM 538 OG1 THR A 65 -1.779 -8.872 7.407 1.00 92.33 O +ATOM 539 N ASN A 66 -4.071 -7.330 8.659 1.00 96.25 N +ATOM 540 CA ASN A 66 -4.844 -6.094 8.609 1.00 96.49 C +ATOM 541 C ASN A 66 -6.009 -6.122 9.595 1.00 96.31 C +ATOM 542 CB ASN A 66 -5.356 -5.837 7.190 1.00 96.28 C +ATOM 543 O ASN A 66 -6.302 -5.117 10.246 1.00 95.80 O +ATOM 544 CG ASN A 66 -4.261 -5.371 6.251 1.00 95.46 C +ATOM 545 ND2 ASN A 66 -3.894 -6.222 5.299 1.00 94.32 N +ATOM 546 OD1 ASN A 66 -3.748 -4.256 6.380 1.00 93.49 O +ATOM 547 N GLY A 67 -6.674 -7.282 9.814 1.00 96.83 N +ATOM 548 CA GLY A 67 -7.661 -7.480 10.863 1.00 96.94 C +ATOM 549 C GLY A 67 -7.119 -7.201 12.252 1.00 96.79 C +ATOM 550 O GLY A 67 -7.758 -6.506 13.046 1.00 96.40 O +ATOM 551 N LEU A 68 -5.893 -7.620 12.573 1.00 96.08 N +ATOM 552 CA LEU A 68 -5.214 -7.338 13.833 1.00 96.13 C +ATOM 553 C LEU A 68 -5.006 -5.839 14.015 1.00 96.08 C +ATOM 554 CB LEU A 68 -3.866 -8.062 13.889 1.00 94.86 C +ATOM 555 O LEU A 68 -5.191 -5.311 15.115 1.00 95.61 O +ATOM 556 CG LEU A 68 -3.915 -9.566 14.162 1.00 87.35 C +ATOM 557 CD1 LEU A 68 -2.510 -10.158 14.125 1.00 80.14 C +ATOM 558 CD2 LEU A 68 -4.582 -9.845 15.505 1.00 79.93 C +ATOM 559 N VAL A 69 -4.686 -5.121 12.955 1.00 95.27 N +ATOM 560 CA VAL A 69 -4.521 -3.671 12.989 1.00 95.38 C +ATOM 561 C VAL A 69 -5.850 -3.007 13.342 1.00 95.44 C +ATOM 562 CB VAL A 69 -3.995 -3.128 11.641 1.00 94.62 C +ATOM 563 O VAL A 69 -5.912 -2.169 14.245 1.00 94.99 O +ATOM 564 CG1 VAL A 69 -4.026 -1.601 11.625 1.00 91.46 C +ATOM 565 CG2 VAL A 69 -2.581 -3.640 11.375 1.00 91.59 C +ATOM 566 N LEU A 70 -6.960 -3.397 12.716 1.00 96.39 N +ATOM 567 CA LEU A 70 -8.288 -2.840 12.947 1.00 96.51 C +ATOM 568 C LEU A 70 -8.762 -3.136 14.367 1.00 96.10 C +ATOM 569 CB LEU A 70 -9.290 -3.402 11.935 1.00 96.38 C +ATOM 570 O LEU A 70 -9.176 -2.227 15.090 1.00 95.47 O +ATOM 571 CG LEU A 70 -9.061 -3.022 10.472 1.00 95.89 C +ATOM 572 CD1 LEU A 70 -10.153 -3.620 9.591 1.00 94.84 C +ATOM 573 CD2 LEU A 70 -9.011 -1.506 10.315 1.00 94.52 C +ATOM 574 N VAL A 71 -8.607 -4.389 14.878 1.00 96.05 N +ATOM 575 CA VAL A 71 -9.022 -4.817 16.210 1.00 96.24 C +ATOM 576 C VAL A 71 -8.186 -4.100 17.268 1.00 95.75 C +ATOM 577 CB VAL A 71 -8.896 -6.348 16.379 1.00 96.05 C +ATOM 578 O VAL A 71 -8.725 -3.586 18.251 1.00 95.14 O +ATOM 579 CG1 VAL A 71 -9.115 -6.750 17.836 1.00 94.74 C +ATOM 580 CG2 VAL A 71 -9.888 -7.068 15.468 1.00 94.23 C +ATOM 581 N ALA A 72 -6.863 -3.962 17.061 1.00 95.22 N +ATOM 582 CA ALA A 72 -5.981 -3.268 17.996 1.00 95.25 C +ATOM 583 C ALA A 72 -6.343 -1.789 18.097 1.00 94.61 C +ATOM 584 CB ALA A 72 -4.523 -3.428 17.571 1.00 94.56 C +ATOM 585 O ALA A 72 -6.516 -1.259 19.197 1.00 93.70 O +ATOM 586 N THR A 73 -6.586 -1.070 16.976 1.00 94.83 N +ATOM 587 CA THR A 73 -6.901 0.354 16.950 1.00 94.43 C +ATOM 588 C THR A 73 -8.277 0.615 17.556 1.00 93.55 C +ATOM 589 CB THR A 73 -6.856 0.910 15.515 1.00 93.45 C +ATOM 590 O THR A 73 -8.467 1.596 18.278 1.00 91.97 O +ATOM 591 CG2 THR A 73 -7.086 2.417 15.501 1.00 87.26 C +ATOM 592 OG1 THR A 73 -5.574 0.628 14.939 1.00 88.57 O +ATOM 593 N ALA A 74 -9.267 -0.336 17.375 1.00 94.70 N +ATOM 594 CA ALA A 74 -10.606 -0.234 17.949 1.00 94.67 C +ATOM 595 C ALA A 74 -10.574 -0.446 19.459 1.00 93.93 C +ATOM 596 CB ALA A 74 -11.545 -1.244 17.292 1.00 93.93 C +ATOM 597 O ALA A 74 -11.186 0.314 20.213 1.00 93.16 O +ATOM 598 N LYS A 75 -9.801 -1.359 19.897 1.00 94.91 N +ATOM 599 CA LYS A 75 -9.774 -1.781 21.294 1.00 94.94 C +ATOM 600 C LYS A 75 -8.969 -0.804 22.148 1.00 93.90 C +ATOM 601 CB LYS A 75 -9.191 -3.189 21.419 1.00 94.29 C +ATOM 602 O LYS A 75 -9.393 -0.436 23.245 1.00 92.79 O +ATOM 603 CG LYS A 75 -9.198 -3.739 22.837 1.00 91.03 C +ATOM 604 CD LYS A 75 -8.844 -5.221 22.864 1.00 87.32 C +ATOM 605 CE LYS A 75 -8.869 -5.776 24.282 1.00 86.44 C +ATOM 606 NZ LYS A 75 -8.613 -7.248 24.304 1.00 86.46 N +ATOM 607 N PHE A 76 -7.859 -0.285 21.703 1.00 93.73 N +ATOM 608 CA PHE A 76 -6.916 0.465 22.524 1.00 94.11 C +ATOM 609 C PHE A 76 -7.016 1.958 22.235 1.00 93.19 C +ATOM 610 CB PHE A 76 -5.484 -0.022 22.282 1.00 94.04 C +ATOM 611 O PHE A 76 -6.545 2.428 21.197 1.00 91.83 O +ATOM 612 CG PHE A 76 -5.252 -1.451 22.691 1.00 94.48 C +ATOM 613 CD1 PHE A 76 -5.139 -1.795 24.033 1.00 93.46 C +ATOM 614 CD2 PHE A 76 -5.146 -2.452 21.733 1.00 93.48 C +ATOM 615 CE1 PHE A 76 -4.924 -3.118 24.414 1.00 92.66 C +ATOM 616 CE2 PHE A 76 -4.932 -3.775 22.107 1.00 92.33 C +ATOM 617 CZ PHE A 76 -4.820 -4.106 23.448 1.00 92.24 C +ATOM 618 N LYS A 77 -7.501 2.731 23.262 1.00 93.06 N +ATOM 619 CA LYS A 77 -7.722 4.171 23.165 1.00 92.57 C +ATOM 620 C LYS A 77 -6.423 4.907 22.854 1.00 90.51 C +ATOM 621 CB LYS A 77 -8.332 4.709 24.461 1.00 90.88 C +ATOM 622 O LYS A 77 -6.426 5.904 22.129 1.00 88.22 O +ATOM 623 CG LYS A 77 -9.781 4.301 24.679 1.00 87.89 C +ATOM 624 CD LYS A 77 -10.367 4.961 25.921 1.00 86.80 C +ATOM 625 CE LYS A 77 -11.816 4.550 26.143 1.00 85.58 C +ATOM 626 NZ LYS A 77 -12.378 5.152 27.390 1.00 86.84 N +ATOM 627 N LYS A 78 -5.317 4.369 23.316 1.00 88.57 N +ATOM 628 CA LYS A 78 -3.985 4.932 23.119 1.00 88.20 C +ATOM 629 C LYS A 78 -3.584 4.897 21.647 1.00 88.55 C +ATOM 630 CB LYS A 78 -2.954 4.178 23.961 1.00 85.45 C +ATOM 631 O LYS A 78 -2.714 5.657 21.217 1.00 86.74 O +ATOM 632 CG LYS A 78 -2.861 2.694 23.642 1.00 76.69 C +ATOM 633 CD LYS A 78 -1.834 1.995 24.525 1.00 72.86 C +ATOM 634 CE LYS A 78 -1.691 0.524 24.161 1.00 67.21 C +ATOM 635 NZ LYS A 78 -0.709 -0.173 25.045 1.00 62.61 N +ATOM 636 N LEU A 79 -4.244 4.101 20.807 1.00 88.42 N +ATOM 637 CA LEU A 79 -4.001 4.005 19.372 1.00 89.29 C +ATOM 638 C LEU A 79 -4.930 4.935 18.599 1.00 87.02 C +ATOM 639 CB LEU A 79 -4.188 2.563 18.892 1.00 87.75 C +ATOM 640 O LEU A 79 -4.910 4.956 17.366 1.00 83.29 O +ATOM 641 CG LEU A 79 -3.218 1.527 19.462 1.00 88.04 C +ATOM 642 CD1 LEU A 79 -3.478 0.159 18.840 1.00 84.74 C +ATOM 643 CD2 LEU A 79 -1.775 1.960 19.229 1.00 84.91 C +ATOM 644 N ARG A 80 -5.696 5.743 19.241 1.00 88.98 N +ATOM 645 CA ARG A 80 -6.549 6.701 18.544 1.00 88.24 C +ATOM 646 C ARG A 80 -5.788 7.985 18.230 1.00 85.74 C +ATOM 647 CB ARG A 80 -7.792 7.019 19.377 1.00 86.08 C +ATOM 648 O ARG A 80 -6.338 9.082 18.346 1.00 81.52 O +ATOM 649 CG ARG A 80 -8.706 5.825 19.601 1.00 87.37 C +ATOM 650 CD ARG A 80 -10.011 6.231 20.272 1.00 86.39 C +ATOM 651 NE ARG A 80 -10.890 5.084 20.480 1.00 85.12 N +ATOM 652 NH1 ARG A 80 -12.552 6.287 21.542 1.00 83.17 N +ATOM 653 NH2 ARG A 80 -12.795 4.031 21.214 1.00 81.67 N +ATOM 654 CZ ARG A 80 -12.077 5.137 21.078 1.00 81.93 C +ATOM 655 N HIS A 81 -4.563 7.903 17.899 1.00 90.55 N +ATOM 656 CA HIS A 81 -3.699 8.951 17.366 1.00 90.49 C +ATOM 657 C HIS A 81 -3.918 9.138 15.869 1.00 91.54 C +ATOM 658 CB HIS A 81 -2.230 8.628 17.646 1.00 88.60 C +ATOM 659 O HIS A 81 -4.193 8.173 15.152 1.00 91.03 O +ATOM 660 CG HIS A 81 -1.301 9.764 17.359 1.00 81.95 C +ATOM 661 CD2 HIS A 81 -0.923 10.818 18.121 1.00 76.58 C +ATOM 662 ND1 HIS A 81 -0.642 9.901 16.156 1.00 74.61 N +ATOM 663 CE1 HIS A 81 0.103 10.993 16.192 1.00 74.48 C +ATOM 664 NE2 HIS A 81 -0.049 11.568 17.373 1.00 75.30 N +ATOM 665 N PRO A 82 -3.737 10.333 15.250 1.00 89.50 N +ATOM 666 CA PRO A 82 -4.021 10.627 13.843 1.00 90.69 C +ATOM 667 C PRO A 82 -3.283 9.695 12.885 1.00 91.67 C +ATOM 668 CB PRO A 82 -3.539 12.071 13.680 1.00 88.77 C +ATOM 669 O PRO A 82 -3.882 9.175 11.939 1.00 91.59 O +ATOM 670 CG PRO A 82 -3.805 12.713 15.003 1.00 86.07 C +ATOM 671 CD PRO A 82 -3.516 11.714 16.086 1.00 86.65 C +ATOM 672 N LEU A 83 -2.035 9.352 13.200 1.00 89.43 N +ATOM 673 CA LEU A 83 -1.238 8.414 12.418 1.00 89.99 C +ATOM 674 C LEU A 83 -1.922 7.054 12.337 1.00 90.91 C +ATOM 675 CB LEU A 83 0.159 8.260 13.027 1.00 88.58 C +ATOM 676 O LEU A 83 -1.914 6.411 11.285 1.00 90.87 O +ATOM 677 CG LEU A 83 1.091 7.261 12.341 1.00 85.45 C +ATOM 678 CD1 LEU A 83 1.392 7.709 10.914 1.00 82.49 C +ATOM 679 CD2 LEU A 83 2.381 7.098 13.138 1.00 82.47 C +ATOM 680 N ASN A 84 -2.534 6.642 13.395 1.00 91.61 N +ATOM 681 CA ASN A 84 -3.172 5.331 13.435 1.00 92.40 C +ATOM 682 C ASN A 84 -4.461 5.309 12.620 1.00 93.56 C +ATOM 683 CB ASN A 84 -3.450 4.913 14.881 1.00 90.67 C +ATOM 684 O ASN A 84 -4.847 4.266 12.088 1.00 93.54 O +ATOM 685 CG ASN A 84 -2.181 4.709 15.685 1.00 86.14 C +ATOM 686 ND2 ASN A 84 -2.293 4.806 17.004 1.00 85.22 N +ATOM 687 OD1 ASN A 84 -1.109 4.467 15.124 1.00 84.41 O +ATOM 688 N TRP A 85 -5.141 6.429 12.389 1.00 93.73 N +ATOM 689 CA TRP A 85 -6.287 6.512 11.489 1.00 94.84 C +ATOM 690 C TRP A 85 -5.857 6.309 10.040 1.00 94.96 C +ATOM 691 CB TRP A 85 -6.993 7.863 11.640 1.00 93.77 C +ATOM 692 O TRP A 85 -6.561 5.660 9.262 1.00 94.45 O +ATOM 693 CG TRP A 85 -7.780 8.000 12.909 1.00 88.55 C +ATOM 694 CD1 TRP A 85 -7.521 8.845 13.952 1.00 82.94 C +ATOM 695 CD2 TRP A 85 -8.953 7.264 13.270 1.00 84.10 C +ATOM 696 CE2 TRP A 85 -9.353 7.716 14.547 1.00 84.68 C +ATOM 697 CE3 TRP A 85 -9.706 6.266 12.637 1.00 81.57 C +ATOM 698 NE1 TRP A 85 -8.463 8.679 14.941 1.00 82.58 N +ATOM 699 CH2 TRP A 85 -11.193 6.228 14.562 1.00 83.84 C +ATOM 700 CZ2 TRP A 85 -10.474 7.203 15.203 1.00 83.63 C +ATOM 701 CZ3 TRP A 85 -10.821 5.757 13.292 1.00 83.30 C +ATOM 702 N ILE A 86 -4.679 6.777 9.690 1.00 94.12 N +ATOM 703 CA ILE A 86 -4.128 6.539 8.360 1.00 94.69 C +ATOM 704 C ILE A 86 -3.778 5.061 8.204 1.00 94.80 C +ATOM 705 CB ILE A 86 -2.883 7.416 8.100 1.00 94.14 C +ATOM 706 O ILE A 86 -4.043 4.461 7.160 1.00 94.44 O +ATOM 707 CG1 ILE A 86 -3.213 8.895 8.329 1.00 92.49 C +ATOM 708 CG2 ILE A 86 -2.348 7.187 6.683 1.00 92.36 C +ATOM 709 CD1 ILE A 86 -1.989 9.786 8.486 1.00 90.16 C +ATOM 710 N LEU A 87 -3.382 4.431 9.238 1.00 93.84 N +ATOM 711 CA LEU A 87 -3.083 3.004 9.236 1.00 93.97 C +ATOM 712 C LEU A 87 -4.363 2.180 9.143 1.00 94.59 C +ATOM 713 CB LEU A 87 -2.304 2.617 10.496 1.00 91.54 C +ATOM 714 O LEU A 87 -4.395 1.147 8.471 1.00 94.23 O +ATOM 715 CG LEU A 87 -0.877 3.158 10.604 1.00 81.21 C +ATOM 716 CD1 LEU A 87 -0.315 2.897 11.997 1.00 73.52 C +ATOM 717 CD2 LEU A 87 0.014 2.534 9.536 1.00 73.27 C +ATOM 718 N VAL A 88 -5.400 2.587 9.836 1.00 95.59 N +ATOM 719 CA VAL A 88 -6.721 1.983 9.696 1.00 96.03 C +ATOM 720 C VAL A 88 -7.199 2.115 8.252 1.00 96.24 C +ATOM 721 CB VAL A 88 -7.745 2.627 10.657 1.00 95.73 C +ATOM 722 O VAL A 88 -7.681 1.147 7.659 1.00 96.18 O +ATOM 723 CG1 VAL A 88 -9.168 2.217 10.284 1.00 95.22 C +ATOM 724 CG2 VAL A 88 -7.436 2.240 12.102 1.00 95.13 C +ATOM 725 N ASN A 89 -6.987 3.261 7.634 1.00 96.95 N +ATOM 726 CA ASN A 89 -7.336 3.480 6.234 1.00 97.11 C +ATOM 727 C ASN A 89 -6.543 2.561 5.309 1.00 97.06 C +ATOM 728 CB ASN A 89 -7.114 4.943 5.848 1.00 96.76 C +ATOM 729 O ASN A 89 -7.112 1.933 4.415 1.00 96.79 O +ATOM 730 CG ASN A 89 -7.498 5.233 4.411 1.00 94.40 C +ATOM 731 ND2 ASN A 89 -6.504 5.502 3.573 1.00 93.08 N +ATOM 732 OD1 ASN A 89 -8.680 5.216 4.056 1.00 92.08 O +ATOM 733 N LEU A 90 -5.261 2.434 5.529 1.00 94.93 N +ATOM 734 CA LEU A 90 -4.397 1.518 4.792 1.00 95.04 C +ATOM 735 C LEU A 90 -4.873 0.078 4.947 1.00 95.17 C +ATOM 736 CB LEU A 90 -2.949 1.643 5.273 1.00 94.38 C +ATOM 737 O LEU A 90 -5.091 -0.619 3.953 1.00 94.73 O +ATOM 738 CG LEU A 90 -1.928 0.726 4.598 1.00 92.04 C +ATOM 739 CD1 LEU A 90 -1.872 1.007 3.100 1.00 88.72 C +ATOM 740 CD2 LEU A 90 -0.552 0.898 5.232 1.00 88.63 C +ATOM 741 N ALA A 91 -5.228 -0.346 6.149 1.00 96.05 N +ATOM 742 CA ALA A 91 -5.709 -1.694 6.438 1.00 96.33 C +ATOM 743 C ALA A 91 -7.059 -1.949 5.772 1.00 96.27 C +ATOM 744 CB ALA A 91 -5.814 -1.911 7.945 1.00 95.84 C +ATOM 745 O ALA A 91 -7.316 -3.049 5.276 1.00 95.93 O +ATOM 746 N VAL A 92 -7.934 -0.967 5.700 1.00 97.17 N +ATOM 747 CA VAL A 92 -9.230 -1.056 5.037 1.00 97.25 C +ATOM 748 C VAL A 92 -9.032 -1.158 3.526 1.00 97.02 C +ATOM 749 CB VAL A 92 -10.127 0.155 5.377 1.00 97.11 C +ATOM 750 O VAL A 92 -9.668 -1.982 2.865 1.00 96.66 O +ATOM 751 CG1 VAL A 92 -11.360 0.184 4.476 1.00 96.67 C +ATOM 752 CG2 VAL A 92 -10.537 0.119 6.848 1.00 96.55 C +ATOM 753 N ALA A 93 -8.120 -0.401 2.967 1.00 96.39 N +ATOM 754 CA ALA A 93 -7.777 -0.462 1.548 1.00 96.32 C +ATOM 755 C ALA A 93 -7.185 -1.821 1.184 1.00 96.03 C +ATOM 756 CB ALA A 93 -6.799 0.654 1.189 1.00 95.88 C +ATOM 757 O ALA A 93 -7.648 -2.476 0.248 1.00 95.35 O +ATOM 758 N ASP A 94 -6.277 -2.351 1.971 1.00 95.06 N +ATOM 759 CA ASP A 94 -5.609 -3.635 1.782 1.00 95.22 C +ATOM 760 C ASP A 94 -6.599 -4.792 1.899 1.00 94.93 C +ATOM 761 CB ASP A 94 -4.478 -3.807 2.797 1.00 94.87 C +ATOM 762 O ASP A 94 -6.555 -5.737 1.108 1.00 94.39 O +ATOM 763 CG ASP A 94 -3.266 -2.946 2.485 1.00 93.46 C +ATOM 764 OD1 ASP A 94 -3.188 -2.383 1.372 1.00 91.37 O +ATOM 765 OD2 ASP A 94 -2.380 -2.832 3.360 1.00 91.75 O +ATOM 766 N ILE A 95 -7.554 -4.745 2.853 1.00 96.17 N +ATOM 767 CA ILE A 95 -8.611 -5.742 2.989 1.00 96.17 C +ATOM 768 C ILE A 95 -9.541 -5.675 1.779 1.00 95.52 C +ATOM 769 CB ILE A 95 -9.413 -5.540 4.294 1.00 96.21 C +ATOM 770 O ILE A 95 -9.901 -6.707 1.208 1.00 94.78 O +ATOM 771 CG1 ILE A 95 -8.590 -5.998 5.503 1.00 96.32 C +ATOM 772 CG2 ILE A 95 -10.749 -6.285 4.227 1.00 96.22 C +ATOM 773 CD1 ILE A 95 -9.172 -5.575 6.844 1.00 95.48 C +ATOM 774 N GLY A 96 -9.963 -4.452 1.383 1.00 95.14 N +ATOM 775 CA GLY A 96 -10.781 -4.269 0.195 1.00 94.81 C +ATOM 776 C GLY A 96 -10.138 -4.820 -1.063 1.00 94.03 C +ATOM 777 O GLY A 96 -10.747 -5.617 -1.780 1.00 92.81 O +ATOM 778 N GLU A 97 -8.884 -4.524 -1.307 1.00 92.88 N +ATOM 779 CA GLU A 97 -8.091 -5.048 -2.416 1.00 92.54 C +ATOM 780 C GLU A 97 -7.993 -6.569 -2.353 1.00 91.83 C +ATOM 781 CB GLU A 97 -6.691 -4.429 -2.415 1.00 91.83 C +ATOM 782 O GLU A 97 -8.292 -7.257 -3.332 1.00 90.62 O +ATOM 783 CG GLU A 97 -5.834 -4.846 -3.601 1.00 88.96 C +ATOM 784 CD GLU A 97 -4.409 -4.322 -3.524 1.00 85.87 C +ATOM 785 OE1 GLU A 97 -4.141 -3.407 -2.713 1.00 85.62 O +ATOM 786 OE2 GLU A 97 -3.553 -4.831 -4.282 1.00 85.20 O +ATOM 787 N THR A 98 -7.639 -7.124 -1.228 1.00 93.32 N +ATOM 788 CA THR A 98 -7.373 -8.546 -1.040 1.00 92.90 C +ATOM 789 C THR A 98 -8.649 -9.363 -1.214 1.00 91.98 C +ATOM 790 CB THR A 98 -6.768 -8.823 0.348 1.00 92.12 C +ATOM 791 O THR A 98 -8.660 -10.362 -1.937 1.00 90.60 O +ATOM 792 CG2 THR A 98 -6.561 -10.317 0.571 1.00 87.16 C +ATOM 793 OG1 THR A 98 -5.504 -8.156 0.455 1.00 89.07 O +ATOM 794 N ILE A 99 -9.739 -8.999 -0.590 1.00 92.09 N +ATOM 795 CA ILE A 99 -10.990 -9.746 -0.661 1.00 91.29 C +ATOM 796 C ILE A 99 -11.533 -9.710 -2.088 1.00 89.57 C +ATOM 797 CB ILE A 99 -12.039 -9.185 0.326 1.00 90.69 C +ATOM 798 O ILE A 99 -11.810 -10.756 -2.680 1.00 87.31 O +ATOM 799 CG1 ILE A 99 -11.650 -9.525 1.769 1.00 89.41 C +ATOM 800 CG2 ILE A 99 -13.434 -9.723 -0.006 1.00 88.72 C +ATOM 801 CD1 ILE A 99 -12.557 -8.898 2.819 1.00 87.33 C +ATOM 802 N LEU A 100 -11.648 -8.538 -2.641 1.00 88.90 N +ATOM 803 CA LEU A 100 -12.322 -8.411 -3.929 1.00 87.84 C +ATOM 804 C LEU A 100 -11.469 -8.999 -5.048 1.00 86.53 C +ATOM 805 CB LEU A 100 -12.635 -6.943 -4.227 1.00 86.32 C +ATOM 806 O LEU A 100 -11.936 -9.851 -5.808 1.00 83.73 O +ATOM 807 CG LEU A 100 -13.729 -6.296 -3.376 1.00 81.73 C +ATOM 808 CD1 LEU A 100 -13.757 -4.789 -3.605 1.00 77.22 C +ATOM 809 CD2 LEU A 100 -15.087 -6.915 -3.689 1.00 77.11 C +ATOM 810 N ALA A 101 -10.150 -8.663 -5.106 1.00 84.74 N +ATOM 811 CA ALA A 101 -9.240 -9.182 -6.124 1.00 84.01 C +ATOM 812 C ALA A 101 -9.118 -10.700 -6.026 1.00 83.89 C +ATOM 813 CB ALA A 101 -7.866 -8.531 -5.991 1.00 82.30 C +ATOM 814 O ALA A 101 -9.197 -11.402 -7.037 1.00 81.86 O +ATOM 815 N SER A 102 -8.963 -11.217 -4.810 1.00 85.44 N +ATOM 816 CA SER A 102 -8.699 -12.642 -4.647 1.00 85.25 C +ATOM 817 C SER A 102 -9.977 -13.461 -4.791 1.00 84.94 C +ATOM 818 CB SER A 102 -8.059 -12.917 -3.285 1.00 83.96 C +ATOM 819 O SER A 102 -9.964 -14.545 -5.379 1.00 83.54 O +ATOM 820 OG SER A 102 -6.871 -12.160 -3.126 1.00 80.77 O +ATOM 821 N THR A 103 -11.127 -12.981 -4.277 1.00 85.09 N +ATOM 822 CA THR A 103 -12.401 -13.677 -4.423 1.00 84.91 C +ATOM 823 C THR A 103 -12.778 -13.811 -5.895 1.00 84.47 C +ATOM 824 CB THR A 103 -13.526 -12.947 -3.666 1.00 83.76 C +ATOM 825 O THR A 103 -13.071 -14.911 -6.369 1.00 82.97 O +ATOM 826 CG2 THR A 103 -14.852 -13.688 -3.803 1.00 81.33 C +ATOM 827 OG1 THR A 103 -13.181 -12.858 -2.278 1.00 83.21 O +ATOM 828 N ILE A 104 -12.635 -12.781 -6.645 1.00 83.04 N +ATOM 829 CA ILE A 104 -12.992 -12.796 -8.059 1.00 82.51 C +ATOM 830 C ILE A 104 -11.975 -13.625 -8.840 1.00 82.27 C +ATOM 831 CB ILE A 104 -13.073 -11.365 -8.636 1.00 81.49 C +ATOM 832 O ILE A 104 -12.349 -14.481 -9.645 1.00 80.61 O +ATOM 833 CG1 ILE A 104 -14.261 -10.611 -8.028 1.00 79.86 C +ATOM 834 CG2 ILE A 104 -13.174 -11.404 -10.164 1.00 79.70 C +ATOM 835 CD1 ILE A 104 -14.256 -9.115 -8.313 1.00 77.55 C +ATOM 836 N SER A 105 -10.695 -13.507 -8.523 1.00 80.16 N +ATOM 837 CA SER A 105 -9.643 -14.310 -9.138 1.00 79.72 C +ATOM 838 C SER A 105 -9.847 -15.796 -8.860 1.00 80.16 C +ATOM 839 CB SER A 105 -8.268 -13.872 -8.631 1.00 78.60 C +ATOM 840 O SER A 105 -9.766 -16.620 -9.773 1.00 79.07 O +ATOM 841 OG SER A 105 -7.979 -12.547 -9.043 1.00 73.74 O +ATOM 842 N ILE A 106 -10.180 -16.197 -7.653 1.00 81.01 N +ATOM 843 CA ILE A 106 -10.448 -17.575 -7.256 1.00 80.90 C +ATOM 844 C ILE A 106 -11.711 -18.077 -7.953 1.00 81.04 C +ATOM 845 CB ILE A 106 -10.594 -17.704 -5.724 1.00 80.19 C +ATOM 846 O ILE A 106 -11.721 -19.172 -8.519 1.00 80.31 O +ATOM 847 CG1 ILE A 106 -9.235 -17.513 -5.040 1.00 82.02 C +ATOM 848 CG2 ILE A 106 -11.209 -19.056 -5.351 1.00 82.08 C +ATOM 849 CD1 ILE A 106 -9.329 -17.211 -3.550 1.00 80.10 C +ATOM 850 N ILE A 107 -12.790 -17.281 -8.026 1.00 81.96 N +ATOM 851 CA ILE A 107 -14.030 -17.622 -8.715 1.00 81.63 C +ATOM 852 C ILE A 107 -13.754 -17.832 -10.202 1.00 81.27 C +ATOM 853 CB ILE A 107 -15.104 -16.528 -8.519 1.00 80.62 C +ATOM 854 O ILE A 107 -14.130 -18.860 -10.770 1.00 79.68 O +ATOM 855 CG1 ILE A 107 -15.656 -16.572 -7.089 1.00 80.51 C +ATOM 856 CG2 ILE A 107 -16.230 -16.686 -9.545 1.00 79.81 C +ATOM 857 CD1 ILE A 107 -16.498 -15.361 -6.713 1.00 78.23 C +ATOM 858 N ASN A 108 -12.991 -16.943 -10.846 1.00 78.12 N +ATOM 859 CA ASN A 108 -12.628 -17.030 -12.256 1.00 77.49 C +ATOM 860 C ASN A 108 -11.760 -18.254 -12.537 1.00 77.65 C +ATOM 861 CB ASN A 108 -11.909 -15.756 -12.705 1.00 76.29 C +ATOM 862 O ASN A 108 -11.919 -18.909 -13.568 1.00 75.95 O +ATOM 863 CG ASN A 108 -12.862 -14.599 -12.936 1.00 73.41 C +ATOM 864 ND2 ASN A 108 -12.335 -13.381 -12.899 1.00 70.90 N +ATOM 865 OD1 ASN A 108 -14.061 -14.799 -13.146 1.00 72.08 O +ATOM 866 N GLN A 109 -10.867 -18.667 -11.583 1.00 76.29 N +ATOM 867 CA GLN A 109 -10.021 -19.849 -11.711 1.00 75.85 C +ATOM 868 C GLN A 109 -10.835 -21.129 -11.548 1.00 76.16 C +ATOM 869 CB GLN A 109 -8.888 -19.813 -10.684 1.00 74.45 C +ATOM 870 O GLN A 109 -10.599 -22.115 -12.249 1.00 74.87 O +ATOM 871 CG GLN A 109 -7.753 -18.867 -11.053 1.00 71.40 C +ATOM 872 CD GLN A 109 -6.681 -18.791 -9.983 1.00 69.35 C +ATOM 873 NE2 GLN A 109 -6.059 -17.625 -9.847 1.00 65.31 N +ATOM 874 OE1 GLN A 109 -6.413 -19.773 -9.282 1.00 67.30 O +ATOM 875 N ILE A 110 -11.895 -21.161 -10.630 1.00 76.50 N +ATOM 876 CA ILE A 110 -12.692 -22.341 -10.312 1.00 76.18 C +ATOM 877 C ILE A 110 -13.756 -22.550 -11.387 1.00 76.12 C +ATOM 878 CB ILE A 110 -13.353 -22.218 -8.921 1.00 75.00 C +ATOM 879 O ILE A 110 -13.932 -23.663 -11.887 1.00 75.16 O +ATOM 880 CG1 ILE A 110 -12.294 -22.315 -7.816 1.00 77.79 C +ATOM 881 CG2 ILE A 110 -14.434 -23.287 -8.740 1.00 77.37 C +ATOM 882 CD1 ILE A 110 -12.807 -21.940 -6.432 1.00 75.44 C +ATOM 883 N PHE A 111 -14.421 -21.498 -11.781 1.00 76.95 N +ATOM 884 CA PHE A 111 -15.629 -21.618 -12.590 1.00 76.27 C +ATOM 885 C PHE A 111 -15.339 -21.284 -14.048 1.00 75.35 C +ATOM 886 CB PHE A 111 -16.731 -20.701 -12.051 1.00 74.63 C +ATOM 887 O PHE A 111 -16.196 -21.468 -14.915 1.00 72.47 O +ATOM 888 CG PHE A 111 -17.258 -21.112 -10.702 1.00 75.46 C +ATOM 889 CD1 PHE A 111 -18.021 -22.265 -10.561 1.00 75.96 C +ATOM 890 CD2 PHE A 111 -16.990 -20.346 -9.576 1.00 76.55 C +ATOM 891 CE1 PHE A 111 -18.510 -22.648 -9.314 1.00 75.17 C +ATOM 892 CE2 PHE A 111 -17.475 -20.722 -8.327 1.00 74.14 C +ATOM 893 CZ PHE A 111 -18.235 -21.873 -8.198 1.00 71.61 C +ATOM 894 N GLY A 112 -14.059 -20.983 -14.301 1.00 69.62 N +ATOM 895 CA GLY A 112 -13.737 -20.409 -15.597 1.00 68.06 C +ATOM 896 C GLY A 112 -14.343 -19.034 -15.808 1.00 68.33 C +ATOM 897 O GLY A 112 -15.345 -18.688 -15.179 1.00 65.03 O +ATOM 898 N TYR A 113 -13.764 -18.080 -16.577 1.00 65.38 N +ATOM 899 CA TYR A 113 -14.047 -16.667 -16.801 1.00 63.96 C +ATOM 900 C TYR A 113 -15.507 -16.457 -17.185 1.00 66.21 C +ATOM 901 CB TYR A 113 -13.134 -16.102 -17.894 1.00 59.89 C +ATOM 902 O TYR A 113 -16.062 -15.376 -16.974 1.00 62.78 O +ATOM 903 CG TYR A 113 -11.892 -15.430 -17.360 1.00 56.52 C +ATOM 904 CD1 TYR A 113 -11.918 -14.098 -16.953 1.00 53.57 C +ATOM 905 CD2 TYR A 113 -10.691 -16.125 -17.263 1.00 54.83 C +ATOM 906 CE1 TYR A 113 -10.776 -13.474 -16.462 1.00 50.46 C +ATOM 907 CE2 TYR A 113 -9.543 -15.511 -16.774 1.00 50.17 C +ATOM 908 OH TYR A 113 -8.462 -13.575 -15.891 1.00 43.56 O +ATOM 909 CZ TYR A 113 -9.595 -14.187 -16.376 1.00 54.06 C +ATOM 910 N PHE A 114 -16.082 -17.366 -17.700 1.00 57.56 N +ATOM 911 CA PHE A 114 -17.358 -17.245 -18.395 1.00 58.40 C +ATOM 912 C PHE A 114 -18.466 -16.848 -17.427 1.00 58.49 C +ATOM 913 CB PHE A 114 -17.718 -18.561 -19.093 1.00 50.16 C +ATOM 914 O PHE A 114 -19.468 -16.255 -17.832 1.00 55.11 O +ATOM 915 CG PHE A 114 -17.054 -18.739 -20.431 1.00 45.39 C +ATOM 916 CD1 PHE A 114 -17.579 -18.139 -21.569 1.00 37.06 C +ATOM 917 CD2 PHE A 114 -15.903 -19.507 -20.552 1.00 40.00 C +ATOM 918 CE1 PHE A 114 -16.967 -18.302 -22.810 1.00 37.01 C +ATOM 919 CE2 PHE A 114 -15.285 -19.674 -21.788 1.00 41.53 C +ATOM 920 CZ PHE A 114 -15.819 -19.072 -22.916 1.00 34.40 C +ATOM 921 N ILE A 115 -18.312 -17.065 -16.134 1.00 61.79 N +ATOM 922 CA ILE A 115 -19.492 -16.934 -15.286 1.00 62.02 C +ATOM 923 C ILE A 115 -19.711 -15.465 -14.931 1.00 62.33 C +ATOM 924 CB ILE A 115 -19.362 -17.783 -14.001 1.00 56.21 C +ATOM 925 O ILE A 115 -20.840 -14.970 -14.977 1.00 59.92 O +ATOM 926 CG1 ILE A 115 -19.315 -19.275 -14.350 1.00 46.55 C +ATOM 927 CG2 ILE A 115 -20.513 -17.482 -13.037 1.00 47.52 C +ATOM 928 CD1 ILE A 115 -19.089 -20.184 -13.150 1.00 46.98 C +ATOM 929 N LEU A 116 -18.668 -14.681 -14.693 1.00 71.82 N +ATOM 930 CA LEU A 116 -18.956 -13.344 -14.187 1.00 70.91 C +ATOM 931 C LEU A 116 -18.906 -12.315 -15.312 1.00 72.00 C +ATOM 932 CB LEU A 116 -17.962 -12.962 -13.086 1.00 68.11 C +ATOM 933 O LEU A 116 -19.430 -11.208 -15.169 1.00 68.50 O +ATOM 934 CG LEU A 116 -18.067 -13.746 -11.777 1.00 67.37 C +ATOM 935 CD1 LEU A 116 -16.932 -13.357 -10.835 1.00 65.87 C +ATOM 936 CD2 LEU A 116 -19.421 -13.510 -11.118 1.00 67.51 C +ATOM 937 N GLY A 117 -18.356 -12.679 -16.475 1.00 73.21 N +ATOM 938 CA GLY A 117 -18.315 -11.891 -17.697 1.00 73.14 C +ATOM 939 C GLY A 117 -17.479 -10.632 -17.566 1.00 74.28 C +ATOM 940 O GLY A 117 -16.908 -10.367 -16.507 1.00 72.30 O +ATOM 941 N HIS A 118 -17.406 -9.781 -18.594 1.00 73.35 N +ATOM 942 CA HIS A 118 -16.591 -8.589 -18.797 1.00 73.53 C +ATOM 943 C HIS A 118 -16.924 -7.512 -17.770 1.00 75.18 C +ATOM 944 CB HIS A 118 -16.785 -8.043 -20.213 1.00 71.63 C +ATOM 945 O HIS A 118 -16.024 -6.894 -17.198 1.00 74.86 O +ATOM 946 CG HIS A 118 -15.952 -6.836 -20.509 1.00 68.59 C +ATOM 947 CD2 HIS A 118 -14.702 -6.722 -21.016 1.00 66.21 C +ATOM 948 ND1 HIS A 118 -16.394 -5.552 -20.278 1.00 66.08 N +ATOM 949 CE1 HIS A 118 -15.450 -4.697 -20.632 1.00 62.60 C +ATOM 950 NE2 HIS A 118 -14.412 -5.381 -21.083 1.00 59.89 N +ATOM 951 N PRO A 119 -18.192 -7.291 -17.295 1.00 76.89 N +ATOM 952 CA PRO A 119 -18.516 -6.255 -16.312 1.00 77.16 C +ATOM 953 C PRO A 119 -17.898 -6.525 -14.943 1.00 78.13 C +ATOM 954 CB PRO A 119 -20.045 -6.303 -16.240 1.00 75.79 C +ATOM 955 O PRO A 119 -17.437 -5.596 -14.275 1.00 77.92 O +ATOM 956 CG PRO A 119 -20.476 -6.788 -17.587 1.00 74.82 C +ATOM 957 CD PRO A 119 -19.493 -7.821 -18.059 1.00 75.52 C +ATOM 958 N MET A 120 -17.791 -7.736 -14.483 1.00 80.82 N +ATOM 959 CA MET A 120 -17.204 -8.087 -13.193 1.00 80.79 C +ATOM 960 C MET A 120 -15.687 -7.931 -13.224 1.00 81.06 C +ATOM 961 CB MET A 120 -17.574 -9.520 -12.805 1.00 79.03 C +ATOM 962 O MET A 120 -15.078 -7.542 -12.226 1.00 79.71 O +ATOM 963 CG MET A 120 -19.004 -9.672 -12.311 1.00 74.17 C +ATOM 964 SD MET A 120 -19.305 -8.767 -10.743 1.00 73.57 S +ATOM 965 CE MET A 120 -21.088 -9.041 -10.553 1.00 62.77 C +ATOM 966 N CYS A 121 -15.165 -8.152 -14.411 1.00 78.44 N +ATOM 967 CA CYS A 121 -13.741 -7.916 -14.617 1.00 78.61 C +ATOM 968 C CYS A 121 -13.415 -6.430 -14.526 1.00 79.29 C +ATOM 969 CB CYS A 121 -13.298 -8.462 -15.974 1.00 76.82 C +ATOM 970 O CYS A 121 -12.451 -6.041 -13.865 1.00 78.26 O +ATOM 971 SG CYS A 121 -11.523 -8.316 -16.274 1.00 74.59 S +ATOM 972 N ILE A 122 -14.196 -5.633 -15.082 1.00 79.40 N +ATOM 973 CA ILE A 122 -14.075 -4.181 -14.999 1.00 80.03 C +ATOM 974 C ILE A 122 -14.255 -3.730 -13.551 1.00 81.16 C +ATOM 975 CB ILE A 122 -15.103 -3.475 -15.912 1.00 78.64 C +ATOM 976 O ILE A 122 -13.460 -2.941 -13.037 1.00 81.46 O +ATOM 977 CG1 ILE A 122 -14.776 -3.737 -17.386 1.00 77.17 C +ATOM 978 CG2 ILE A 122 -15.143 -1.972 -15.618 1.00 77.12 C +ATOM 979 CD1 ILE A 122 -15.845 -3.247 -18.354 1.00 74.65 C +ATOM 980 N PHE A 123 -15.233 -4.284 -12.943 1.00 83.69 N +ATOM 981 CA PHE A 123 -15.541 -3.944 -11.559 1.00 84.42 C +ATOM 982 C PHE A 123 -14.406 -4.365 -10.633 1.00 84.46 C +ATOM 983 CB PHE A 123 -16.851 -4.607 -11.120 1.00 83.66 C +ATOM 984 O PHE A 123 -13.949 -3.575 -9.805 1.00 84.12 O +ATOM 985 CG PHE A 123 -17.191 -4.377 -9.672 1.00 84.26 C +ATOM 986 CD1 PHE A 123 -17.671 -3.146 -9.243 1.00 84.04 C +ATOM 987 CD2 PHE A 123 -17.032 -5.394 -8.739 1.00 84.51 C +ATOM 988 CE1 PHE A 123 -17.987 -2.930 -7.904 1.00 83.86 C +ATOM 989 CE2 PHE A 123 -17.345 -5.186 -7.399 1.00 83.85 C +ATOM 990 CZ PHE A 123 -17.822 -3.954 -6.983 1.00 81.85 C +ATOM 991 N GLU A 124 -13.845 -5.571 -10.770 1.00 83.72 N +ATOM 992 CA GLU A 124 -12.673 -6.046 -10.040 1.00 83.61 C +ATOM 993 C GLU A 124 -11.482 -5.114 -10.242 1.00 83.94 C +ATOM 994 CB GLU A 124 -12.309 -7.468 -10.474 1.00 82.46 C +ATOM 995 O GLU A 124 -10.948 -4.562 -9.278 1.00 83.00 O +ATOM 996 CG GLU A 124 -11.105 -8.045 -9.742 1.00 79.66 C +ATOM 997 CD GLU A 124 -10.587 -9.332 -10.362 1.00 77.87 C +ATOM 998 OE1 GLU A 124 -11.178 -9.808 -11.358 1.00 75.91 O +ATOM 999 OE2 GLU A 124 -9.581 -9.871 -9.847 1.00 72.75 O +ATOM 1000 N GLY A 125 -11.130 -4.885 -11.486 1.00 82.86 N +ATOM 1001 CA GLY A 125 -10.002 -4.028 -11.815 1.00 83.17 C +ATOM 1002 C GLY A 125 -10.140 -2.622 -11.264 1.00 84.11 C +ATOM 1003 O GLY A 125 -9.177 -2.057 -10.741 1.00 83.90 O +ATOM 1004 N TYR A 126 -11.306 -2.113 -11.299 1.00 86.13 N +ATOM 1005 CA TYR A 126 -11.599 -0.798 -10.740 1.00 87.35 C +ATOM 1006 C TYR A 126 -11.408 -0.793 -9.228 1.00 88.05 C +ATOM 1007 CB TYR A 126 -13.030 -0.374 -11.086 1.00 86.69 C +ATOM 1008 O TYR A 126 -10.665 0.033 -8.693 1.00 88.15 O +ATOM 1009 CG TYR A 126 -13.435 0.948 -10.480 1.00 86.51 C +ATOM 1010 CD1 TYR A 126 -13.071 2.152 -11.079 1.00 85.60 C +ATOM 1011 CD2 TYR A 126 -14.180 0.996 -9.307 1.00 86.15 C +ATOM 1012 CE1 TYR A 126 -13.440 3.372 -10.523 1.00 85.79 C +ATOM 1013 CE2 TYR A 126 -14.555 2.211 -8.742 1.00 85.98 C +ATOM 1014 OH TYR A 126 -14.549 4.597 -8.802 1.00 83.05 O +ATOM 1015 CZ TYR A 126 -14.181 3.391 -9.357 1.00 84.30 C +ATOM 1016 N VAL A 127 -11.975 -1.706 -8.537 1.00 88.39 N +ATOM 1017 CA VAL A 127 -11.931 -1.716 -7.078 1.00 88.85 C +ATOM 1018 C VAL A 127 -10.508 -2.007 -6.606 1.00 88.97 C +ATOM 1019 CB VAL A 127 -12.912 -2.755 -6.488 1.00 87.65 C +ATOM 1020 O VAL A 127 -9.996 -1.334 -5.708 1.00 88.48 O +ATOM 1021 CG1 VAL A 127 -12.776 -2.823 -4.968 1.00 84.93 C +ATOM 1022 CG2 VAL A 127 -14.348 -2.417 -6.886 1.00 84.45 C +ATOM 1023 N VAL A 128 -9.762 -2.908 -7.237 1.00 87.59 N +ATOM 1024 CA VAL A 128 -8.369 -3.228 -6.943 1.00 87.48 C +ATOM 1025 C VAL A 128 -7.498 -1.993 -7.162 1.00 87.76 C +ATOM 1026 CB VAL A 128 -7.860 -4.400 -7.812 1.00 86.31 C +ATOM 1027 O VAL A 128 -6.680 -1.643 -6.308 1.00 87.05 O +ATOM 1028 CG1 VAL A 128 -6.347 -4.556 -7.674 1.00 82.12 C +ATOM 1029 CG2 VAL A 128 -8.571 -5.696 -7.428 1.00 81.97 C +ATOM 1030 N SER A 129 -7.732 -1.265 -8.225 1.00 87.77 N +ATOM 1031 CA SER A 129 -6.967 -0.062 -8.534 1.00 88.38 C +ATOM 1032 C SER A 129 -7.274 1.058 -7.546 1.00 89.44 C +ATOM 1033 CB SER A 129 -7.263 0.410 -9.959 1.00 87.50 C +ATOM 1034 O SER A 129 -6.360 1.697 -7.020 1.00 89.48 O +ATOM 1035 OG SER A 129 -6.913 -0.589 -10.902 1.00 85.96 O +ATOM 1036 N VAL A 130 -8.546 1.256 -7.206 1.00 91.93 N +ATOM 1037 CA VAL A 130 -8.954 2.279 -6.249 1.00 92.86 C +ATOM 1038 C VAL A 130 -8.357 1.972 -4.878 1.00 93.27 C +ATOM 1039 CB VAL A 130 -10.492 2.382 -6.150 1.00 92.55 C +ATOM 1040 O VAL A 130 -7.738 2.838 -4.255 1.00 93.28 O +ATOM 1041 CG1 VAL A 130 -10.900 3.222 -4.941 1.00 92.45 C +ATOM 1042 CG2 VAL A 130 -11.071 2.973 -7.434 1.00 92.06 C +ATOM 1043 N CYS A 131 -8.444 0.743 -4.413 1.00 93.41 N +ATOM 1044 CA CYS A 131 -7.914 0.323 -3.121 1.00 93.78 C +ATOM 1045 C CYS A 131 -6.392 0.393 -3.107 1.00 93.43 C +ATOM 1046 CB CYS A 131 -8.371 -1.098 -2.790 1.00 93.14 C +ATOM 1047 O CYS A 131 -5.800 0.959 -2.186 1.00 92.62 O +ATOM 1048 SG CYS A 131 -10.132 -1.226 -2.410 1.00 94.74 S +ATOM 1049 N GLY A 132 -5.704 -0.095 -4.170 1.00 90.89 N +ATOM 1050 CA GLY A 132 -4.256 -0.037 -4.294 1.00 91.09 C +ATOM 1051 C GLY A 132 -3.715 1.380 -4.323 1.00 91.27 C +ATOM 1052 O GLY A 132 -2.781 1.708 -3.590 1.00 90.73 O +ATOM 1053 N ILE A 133 -4.340 2.288 -5.040 1.00 91.53 N +ATOM 1054 CA ILE A 133 -3.951 3.691 -5.128 1.00 92.43 C +ATOM 1055 C ILE A 133 -4.227 4.387 -3.797 1.00 93.22 C +ATOM 1056 CB ILE A 133 -4.695 4.413 -6.274 1.00 91.80 C +ATOM 1057 O ILE A 133 -3.384 5.134 -3.293 1.00 93.26 O +ATOM 1058 CG1 ILE A 133 -4.192 3.916 -7.634 1.00 90.09 C +ATOM 1059 CG2 ILE A 133 -4.531 5.931 -6.152 1.00 89.68 C +ATOM 1060 CD1 ILE A 133 -5.042 4.369 -8.812 1.00 87.55 C +ATOM 1061 N ALA A 134 -5.356 4.104 -3.165 1.00 95.15 N +ATOM 1062 CA ALA A 134 -5.680 4.664 -1.856 1.00 95.62 C +ATOM 1063 C ALA A 134 -4.686 4.195 -0.797 1.00 95.42 C +ATOM 1064 CB ALA A 134 -7.102 4.282 -1.451 1.00 95.15 C +ATOM 1065 O ALA A 134 -4.222 4.990 0.024 1.00 95.07 O +ATOM 1066 N GLY A 135 -4.271 2.931 -0.805 1.00 93.34 N +ATOM 1067 CA GLY A 135 -3.220 2.394 0.044 1.00 93.23 C +ATOM 1068 C GLY A 135 -1.880 3.073 -0.164 1.00 92.66 C +ATOM 1069 O GLY A 135 -1.247 3.518 0.796 1.00 91.55 O +ATOM 1070 N LEU A 136 -1.510 3.314 -1.383 1.00 92.31 N +ATOM 1071 CA LEU A 136 -0.238 3.941 -1.724 1.00 92.40 C +ATOM 1072 C LEU A 136 -0.212 5.398 -1.273 1.00 92.96 C +ATOM 1073 CB LEU A 136 0.014 3.857 -3.232 1.00 90.14 C +ATOM 1074 O LEU A 136 0.769 5.851 -0.679 1.00 92.41 O +ATOM 1075 CG LEU A 136 1.342 4.431 -3.730 1.00 80.13 C +ATOM 1076 CD1 LEU A 136 2.512 3.709 -3.070 1.00 72.12 C +ATOM 1077 CD2 LEU A 136 1.432 4.329 -5.249 1.00 72.10 C +ATOM 1078 N TRP A 137 -1.249 6.101 -1.470 1.00 93.93 N +ATOM 1079 CA TRP A 137 -1.353 7.486 -1.023 1.00 94.87 C +ATOM 1080 C TRP A 137 -1.450 7.562 0.497 1.00 94.18 C +ATOM 1081 CB TRP A 137 -2.567 8.168 -1.660 1.00 94.61 C +ATOM 1082 O TRP A 137 -0.948 8.506 1.111 1.00 93.04 O +ATOM 1083 CG TRP A 137 -2.304 8.730 -3.025 1.00 93.84 C +ATOM 1084 CD1 TRP A 137 -2.666 8.184 -4.225 1.00 91.45 C +ATOM 1085 CD2 TRP A 137 -1.615 9.947 -3.329 1.00 91.77 C +ATOM 1086 CE2 TRP A 137 -1.598 10.077 -4.735 1.00 92.38 C +ATOM 1087 CE3 TRP A 137 -1.012 10.941 -2.548 1.00 90.10 C +ATOM 1088 NE1 TRP A 137 -2.245 8.990 -5.257 1.00 89.52 N +ATOM 1089 CH2 TRP A 137 -0.416 12.123 -4.589 1.00 89.09 C +ATOM 1090 CZ2 TRP A 137 -1.000 11.164 -5.377 1.00 89.41 C +ATOM 1091 CZ3 TRP A 137 -0.417 12.022 -3.188 1.00 89.42 C +ATOM 1092 N SER A 138 -1.974 6.543 1.197 1.00 94.24 N +ATOM 1093 CA SER A 138 -1.923 6.435 2.652 1.00 94.37 C +ATOM 1094 C SER A 138 -0.484 6.341 3.149 1.00 93.55 C +ATOM 1095 CB SER A 138 -2.716 5.218 3.128 1.00 94.13 C +ATOM 1096 O SER A 138 -0.101 7.038 4.091 1.00 92.61 O +ATOM 1097 OG SER A 138 -4.085 5.345 2.787 1.00 93.47 O +ATOM 1098 N LEU A 139 0.359 5.603 2.478 1.00 91.43 N +ATOM 1099 CA LEU A 139 1.778 5.511 2.804 1.00 91.40 C +ATOM 1100 C LEU A 139 2.475 6.848 2.579 1.00 91.03 C +ATOM 1101 CB LEU A 139 2.451 4.422 1.964 1.00 90.57 C +ATOM 1102 O LEU A 139 3.336 7.245 3.368 1.00 90.18 O +ATOM 1103 CG LEU A 139 2.040 2.981 2.266 1.00 88.22 C +ATOM 1104 CD1 LEU A 139 2.653 2.029 1.244 1.00 85.23 C +ATOM 1105 CD2 LEU A 139 2.454 2.592 3.682 1.00 85.18 C +ATOM 1106 N THR A 140 2.087 7.624 1.555 1.00 92.49 N +ATOM 1107 CA THR A 140 2.588 8.966 1.282 1.00 92.81 C +ATOM 1108 C THR A 140 2.218 9.922 2.412 1.00 92.71 C +ATOM 1109 CB THR A 140 2.038 9.507 -0.051 1.00 92.17 C +ATOM 1110 O THR A 140 3.067 10.668 2.905 1.00 92.16 O +ATOM 1111 CG2 THR A 140 2.638 10.870 -0.381 1.00 88.44 C +ATOM 1112 OG1 THR A 140 2.362 8.588 -1.102 1.00 90.40 O +ATOM 1113 N VAL A 141 0.997 9.849 2.934 1.00 93.71 N +ATOM 1114 CA VAL A 141 0.511 10.687 4.025 1.00 93.84 C +ATOM 1115 C VAL A 141 1.232 10.320 5.320 1.00 92.90 C +ATOM 1116 CB VAL A 141 -1.017 10.551 4.209 1.00 93.59 C +ATOM 1117 O VAL A 141 1.607 11.198 6.100 1.00 91.72 O +ATOM 1118 CG1 VAL A 141 -1.492 11.372 5.405 1.00 92.38 C +ATOM 1119 CG2 VAL A 141 -1.747 10.980 2.938 1.00 91.87 C +ATOM 1120 N ILE A 142 1.533 9.015 5.569 1.00 91.07 N +ATOM 1121 CA ILE A 142 2.335 8.559 6.699 1.00 90.84 C +ATOM 1122 C ILE A 142 3.741 9.148 6.604 1.00 90.04 C +ATOM 1123 CB ILE A 142 2.402 7.017 6.759 1.00 90.31 C +ATOM 1124 O ILE A 142 4.264 9.683 7.584 1.00 88.84 O +ATOM 1125 CG1 ILE A 142 1.045 6.439 7.175 1.00 88.67 C +ATOM 1126 CG2 ILE A 142 3.508 6.561 7.715 1.00 88.29 C +ATOM 1127 CD1 ILE A 142 0.907 4.943 6.927 1.00 86.97 C +ATOM 1128 N SER A 143 4.356 9.125 5.438 1.00 90.12 N +ATOM 1129 CA SER A 143 5.700 9.644 5.208 1.00 90.39 C +ATOM 1130 C SER A 143 5.750 11.156 5.403 1.00 90.10 C +ATOM 1131 CB SER A 143 6.180 9.287 3.801 1.00 89.90 C +ATOM 1132 O SER A 143 6.666 11.674 6.045 1.00 89.37 O +ATOM 1133 OG SER A 143 6.162 7.884 3.604 1.00 88.94 O +ATOM 1134 N TRP A 144 4.734 11.862 4.932 1.00 91.04 N +ATOM 1135 CA TRP A 144 4.574 13.303 5.094 1.00 91.91 C +ATOM 1136 C TRP A 144 4.369 13.667 6.561 1.00 90.49 C +ATOM 1137 CB TRP A 144 3.394 13.811 4.260 1.00 90.29 C +ATOM 1138 O TRP A 144 5.013 14.585 7.075 1.00 88.48 O +ATOM 1139 CG TRP A 144 3.109 15.272 4.435 1.00 83.35 C +ATOM 1140 CD1 TRP A 144 2.135 15.834 5.212 1.00 76.64 C +ATOM 1141 CD2 TRP A 144 3.803 16.358 3.814 1.00 78.67 C +ATOM 1142 CE2 TRP A 144 3.196 17.553 4.261 1.00 81.40 C +ATOM 1143 CE3 TRP A 144 4.881 16.438 2.922 1.00 82.41 C +ATOM 1144 NE1 TRP A 144 2.182 17.206 5.112 1.00 84.22 N +ATOM 1145 CH2 TRP A 144 4.689 18.862 2.973 1.00 81.91 C +ATOM 1146 CZ2 TRP A 144 3.633 18.813 3.846 1.00 82.92 C +ATOM 1147 CZ3 TRP A 144 5.314 17.693 2.510 1.00 82.55 C +ATOM 1148 N GLU A 145 3.571 12.948 7.326 1.00 90.82 N +ATOM 1149 CA GLU A 145 3.406 13.102 8.769 1.00 90.39 C +ATOM 1150 C GLU A 145 4.740 12.959 9.495 1.00 89.28 C +ATOM 1151 CB GLU A 145 2.401 12.081 9.308 1.00 89.47 C +ATOM 1152 O GLU A 145 5.125 13.832 10.276 1.00 87.62 O +ATOM 1153 CG GLU A 145 2.124 12.218 10.798 1.00 86.28 C +ATOM 1154 CD GLU A 145 3.123 11.469 11.665 1.00 83.42 C +ATOM 1155 OE1 GLU A 145 3.784 10.533 11.160 1.00 83.13 O +ATOM 1156 OE2 GLU A 145 3.246 11.821 12.860 1.00 82.26 O +ATOM 1157 N ARG A 146 5.508 11.910 9.228 1.00 88.19 N +ATOM 1158 CA ARG A 146 6.815 11.677 9.835 1.00 87.81 C +ATOM 1159 C ARG A 146 7.769 12.830 9.540 1.00 87.92 C +ATOM 1160 CB ARG A 146 7.413 10.360 9.336 1.00 86.89 C +ATOM 1161 O ARG A 146 8.452 13.323 10.440 1.00 87.24 O +ATOM 1162 CG ARG A 146 6.693 9.123 9.848 1.00 84.11 C +ATOM 1163 CD ARG A 146 6.763 9.018 11.366 1.00 82.81 C +ATOM 1164 NE ARG A 146 5.987 7.886 11.864 1.00 79.00 N +ATOM 1165 NH1 ARG A 146 6.182 8.467 14.091 1.00 77.08 N +ATOM 1166 NH2 ARG A 146 5.012 6.590 13.490 1.00 75.86 N +ATOM 1167 CZ ARG A 146 5.729 7.650 13.147 1.00 77.17 C +ATOM 1168 N TRP A 147 7.776 13.302 8.304 1.00 89.01 N +ATOM 1169 CA TRP A 147 8.602 14.438 7.908 1.00 90.19 C +ATOM 1170 C TRP A 147 8.218 15.689 8.690 1.00 88.26 C +ATOM 1171 CB TRP A 147 8.471 14.700 6.405 1.00 88.87 C +ATOM 1172 O TRP A 147 9.079 16.357 9.266 1.00 85.64 O +ATOM 1173 CG TRP A 147 9.079 15.996 5.958 1.00 85.31 C +ATOM 1174 CD1 TRP A 147 10.395 16.359 6.037 1.00 80.48 C +ATOM 1175 CD2 TRP A 147 8.391 17.102 5.367 1.00 83.36 C +ATOM 1176 CE2 TRP A 147 9.354 18.104 5.111 1.00 87.41 C +ATOM 1177 CE3 TRP A 147 7.053 17.344 5.028 1.00 88.15 C +ATOM 1178 NE1 TRP A 147 10.567 17.626 5.529 1.00 87.75 N +ATOM 1179 CH2 TRP A 147 7.704 19.541 4.209 1.00 86.01 C +ATOM 1180 CZ2 TRP A 147 9.019 19.330 4.531 1.00 86.57 C +ATOM 1181 CZ3 TRP A 147 6.723 18.565 4.450 1.00 87.03 C +ATOM 1182 N VAL A 148 6.944 16.050 8.836 1.00 89.07 N +ATOM 1183 CA VAL A 148 6.450 17.216 9.562 1.00 88.70 C +ATOM 1184 C VAL A 148 6.815 17.098 11.040 1.00 87.47 C +ATOM 1185 CB VAL A 148 4.922 17.379 9.402 1.00 88.08 C +ATOM 1186 O VAL A 148 7.322 18.050 11.638 1.00 85.92 O +ATOM 1187 CG1 VAL A 148 4.393 18.460 10.343 1.00 86.40 C +ATOM 1188 CG2 VAL A 148 4.570 17.710 7.952 1.00 85.74 C +ATOM 1189 N VAL A 149 6.665 15.945 11.675 1.00 86.49 N +ATOM 1190 CA VAL A 149 6.877 15.709 13.099 1.00 85.81 C +ATOM 1191 C VAL A 149 8.370 15.761 13.416 1.00 84.84 C +ATOM 1192 CB VAL A 149 6.285 14.352 13.544 1.00 85.07 C +ATOM 1193 O VAL A 149 8.777 16.348 14.421 1.00 83.06 O +ATOM 1194 CG1 VAL A 149 6.747 13.998 14.956 1.00 82.78 C +ATOM 1195 CG2 VAL A 149 4.760 14.386 13.470 1.00 82.01 C +ATOM 1196 N VAL A 150 9.258 15.241 12.571 1.00 86.11 N +ATOM 1197 CA VAL A 150 10.685 15.102 12.839 1.00 85.75 C +ATOM 1198 C VAL A 150 11.419 16.368 12.402 1.00 85.19 C +ATOM 1199 CB VAL A 150 11.280 13.868 12.124 1.00 85.12 C +ATOM 1200 O VAL A 150 12.260 16.890 13.138 1.00 83.76 O +ATOM 1201 CG1 VAL A 150 12.800 13.837 12.274 1.00 83.70 C +ATOM 1202 CG2 VAL A 150 10.660 12.584 12.673 1.00 82.75 C +ATOM 1203 N CYS A 151 11.164 16.929 11.206 1.00 88.35 N +ATOM 1204 CA CYS A 151 11.942 18.007 10.606 1.00 87.90 C +ATOM 1205 C CYS A 151 11.473 19.365 11.113 1.00 85.05 C +ATOM 1206 CB CYS A 151 11.840 17.958 9.082 1.00 86.34 C +ATOM 1207 O CYS A 151 12.202 20.354 11.016 1.00 80.66 O +ATOM 1208 SG CYS A 151 12.587 16.486 8.349 1.00 90.69 S +ATOM 1209 N LYS A 152 10.331 19.499 11.501 1.00 78.35 N +ATOM 1210 CA LYS A 152 9.850 20.805 11.942 1.00 76.93 C +ATOM 1211 C LYS A 152 9.535 20.798 13.436 1.00 77.10 C +ATOM 1212 CB LYS A 152 8.611 21.218 11.147 1.00 71.21 C +ATOM 1213 O LYS A 152 8.467 21.253 13.852 1.00 71.41 O +ATOM 1214 CG LYS A 152 8.888 21.519 9.682 1.00 67.96 C +ATOM 1215 CD LYS A 152 7.702 22.209 9.019 1.00 65.26 C +ATOM 1216 CE LYS A 152 7.997 22.557 7.566 1.00 64.51 C +ATOM 1217 NZ LYS A 152 6.826 23.204 6.903 1.00 58.34 N +ATOM 1218 N PRO A 153 10.631 20.264 14.183 1.00 70.82 N +ATOM 1219 CA PRO A 153 10.362 20.198 15.622 1.00 67.92 C +ATOM 1220 C PRO A 153 10.122 21.574 16.240 1.00 69.37 C +ATOM 1221 CB PRO A 153 11.631 19.558 16.189 1.00 62.65 C +ATOM 1222 O PRO A 153 9.437 21.685 17.260 1.00 64.35 O +ATOM 1223 CG PRO A 153 12.690 19.846 15.175 1.00 60.40 C +ATOM 1224 CD PRO A 153 12.050 19.900 13.818 1.00 60.88 C +ATOM 1225 N PHE A 154 10.638 22.643 15.537 1.00 58.57 N +ATOM 1226 CA PHE A 154 10.577 23.985 16.105 1.00 60.99 C +ATOM 1227 C PHE A 154 9.371 24.746 15.567 1.00 58.36 C +ATOM 1228 CB PHE A 154 11.864 24.758 15.802 1.00 49.81 C +ATOM 1229 O PHE A 154 9.071 25.849 16.027 1.00 53.61 O +ATOM 1230 CG PHE A 154 13.098 24.141 16.404 1.00 44.43 C +ATOM 1231 CD1 PHE A 154 13.324 24.200 17.774 1.00 38.58 C +ATOM 1232 CD2 PHE A 154 14.033 23.503 15.599 1.00 45.74 C +ATOM 1233 CE1 PHE A 154 14.465 23.631 18.333 1.00 45.56 C +ATOM 1234 CE2 PHE A 154 15.176 22.932 16.151 1.00 46.80 C +ATOM 1235 CZ PHE A 154 15.391 22.998 17.518 1.00 44.97 C +ATOM 1236 N GLY A 155 8.625 24.099 14.779 1.00 69.71 N +ATOM 1237 CA GLY A 155 7.357 24.638 14.314 1.00 68.60 C +ATOM 1238 C GLY A 155 6.162 24.087 15.069 1.00 69.29 C +ATOM 1239 O GLY A 155 6.063 22.878 15.288 1.00 64.08 O +ATOM 1240 N ASN A 156 5.306 24.963 15.703 1.00 76.48 N +ATOM 1241 CA ASN A 156 4.024 24.628 16.315 1.00 76.82 C +ATOM 1242 C ASN A 156 3.151 23.805 15.372 1.00 77.81 C +ATOM 1243 CB ASN A 156 3.288 25.898 16.747 1.00 72.13 C +ATOM 1244 O ASN A 156 1.939 23.707 15.569 1.00 75.80 O +ATOM 1245 CG ASN A 156 3.905 26.541 17.974 1.00 67.86 C +ATOM 1246 ND2 ASN A 156 3.687 27.841 18.134 1.00 66.66 N +ATOM 1247 OD1 ASN A 156 4.573 25.876 18.770 1.00 66.93 O +ATOM 1248 N VAL A 157 3.688 23.282 14.269 1.00 81.30 N +ATOM 1249 CA VAL A 157 2.854 22.495 13.367 1.00 80.69 C +ATOM 1250 C VAL A 157 2.710 21.073 13.904 1.00 80.73 C +ATOM 1251 CB VAL A 157 3.434 22.468 11.935 1.00 78.05 C +ATOM 1252 O VAL A 157 3.560 20.217 13.648 1.00 77.49 O +ATOM 1253 CG1 VAL A 157 2.487 21.739 10.983 1.00 75.29 C +ATOM 1254 CG2 VAL A 157 3.703 23.889 11.443 1.00 75.11 C +ATOM 1255 N ARG A 158 1.647 20.876 14.615 1.00 83.17 N +ATOM 1256 CA ARG A 158 1.169 19.550 14.993 1.00 83.76 C +ATOM 1257 C ARG A 158 0.389 18.904 13.853 1.00 85.12 C +ATOM 1258 CB ARG A 158 0.296 19.630 16.246 1.00 81.77 C +ATOM 1259 O ARG A 158 -0.547 19.501 13.318 1.00 85.05 O +ATOM 1260 CG ARG A 158 1.046 20.073 17.493 1.00 78.34 C +ATOM 1261 CD ARG A 158 0.157 20.036 18.728 1.00 78.36 C +ATOM 1262 NE ARG A 158 0.896 20.400 19.934 1.00 73.74 N +ATOM 1263 NH1 ARG A 158 -0.895 20.119 21.366 1.00 72.19 N +ATOM 1264 NH2 ARG A 158 1.142 20.776 22.187 1.00 69.18 N +ATOM 1265 CZ ARG A 158 0.379 20.431 21.159 1.00 70.79 C +ATOM 1266 N PHE A 159 0.868 17.784 13.411 1.00 87.10 N +ATOM 1267 CA PHE A 159 0.013 16.958 12.566 1.00 88.32 C +ATOM 1268 C PHE A 159 -1.238 16.525 13.321 1.00 88.17 C +ATOM 1269 CB PHE A 159 0.777 15.728 12.066 1.00 87.07 C +ATOM 1270 O PHE A 159 -1.196 15.582 14.114 1.00 86.68 O +ATOM 1271 CG PHE A 159 0.145 15.066 10.871 1.00 87.31 C +ATOM 1272 CD1 PHE A 159 -0.823 14.082 11.035 1.00 85.15 C +ATOM 1273 CD2 PHE A 159 0.519 15.427 9.583 1.00 85.49 C +ATOM 1274 CE1 PHE A 159 -1.410 13.468 9.931 1.00 86.00 C +ATOM 1275 CE2 PHE A 159 -0.063 14.818 8.475 1.00 85.55 C +ATOM 1276 CZ PHE A 159 -1.026 13.837 8.652 1.00 84.41 C +ATOM 1277 N ASP A 160 -2.309 17.272 13.171 1.00 89.70 N +ATOM 1278 CA ASP A 160 -3.560 17.049 13.889 1.00 90.12 C +ATOM 1279 C ASP A 160 -4.463 16.079 13.130 1.00 91.70 C +ATOM 1280 CB ASP A 160 -4.289 18.375 14.121 1.00 87.54 C +ATOM 1281 O ASP A 160 -4.167 15.708 11.993 1.00 91.58 O +ATOM 1282 CG ASP A 160 -4.848 18.976 12.843 1.00 80.07 C +ATOM 1283 OD1 ASP A 160 -4.815 18.305 11.788 1.00 78.30 O +ATOM 1284 OD2 ASP A 160 -5.323 20.131 12.890 1.00 79.07 O +ATOM 1285 N GLY A 161 -5.570 15.630 13.744 1.00 91.34 N +ATOM 1286 CA GLY A 161 -6.505 14.678 13.168 1.00 92.70 C +ATOM 1287 C GLY A 161 -7.205 15.203 11.929 1.00 93.86 C +ATOM 1288 O GLY A 161 -7.620 14.426 11.067 1.00 93.98 O +ATOM 1289 N LYS A 162 -7.296 16.538 11.727 1.00 93.39 N +ATOM 1290 CA LYS A 162 -7.869 17.154 10.534 1.00 94.12 C +ATOM 1291 C LYS A 162 -6.994 16.899 9.310 1.00 94.42 C +ATOM 1292 CB LYS A 162 -8.054 18.658 10.742 1.00 93.33 C +ATOM 1293 O LYS A 162 -7.496 16.518 8.250 1.00 94.50 O +ATOM 1294 CG LYS A 162 -9.034 19.014 11.850 1.00 91.47 C +ATOM 1295 CD LYS A 162 -9.166 20.523 12.017 1.00 91.12 C +ATOM 1296 CE LYS A 162 -10.135 20.880 13.136 1.00 90.70 C +ATOM 1297 NZ LYS A 162 -10.179 22.352 13.381 1.00 90.27 N +ATOM 1298 N TRP A 163 -5.682 16.955 9.474 1.00 92.26 N +ATOM 1299 CA TRP A 163 -4.739 16.713 8.387 1.00 93.51 C +ATOM 1300 C TRP A 163 -4.722 15.239 7.998 1.00 93.38 C +ATOM 1301 CB TRP A 163 -3.332 17.165 8.786 1.00 92.15 C +ATOM 1302 O TRP A 163 -4.764 14.903 6.812 1.00 92.60 O +ATOM 1303 CG TRP A 163 -3.152 18.654 8.805 1.00 86.28 C +ATOM 1304 CD1 TRP A 163 -2.982 19.449 9.904 1.00 80.90 C +ATOM 1305 CD2 TRP A 163 -3.130 19.525 7.671 1.00 82.24 C +ATOM 1306 CE2 TRP A 163 -2.942 20.838 8.156 1.00 82.41 C +ATOM 1307 CE3 TRP A 163 -3.250 19.324 6.289 1.00 80.86 C +ATOM 1308 NE1 TRP A 163 -2.855 20.764 9.520 1.00 82.48 N +ATOM 1309 CH2 TRP A 163 -2.991 21.720 5.961 1.00 82.76 C +ATOM 1310 CZ2 TRP A 163 -2.871 21.946 7.307 1.00 82.94 C +ATOM 1311 CZ3 TRP A 163 -3.179 20.427 5.446 1.00 82.51 C +ATOM 1312 N ALA A 164 -4.783 14.397 8.965 1.00 93.81 N +ATOM 1313 CA ALA A 164 -4.875 12.963 8.702 1.00 94.63 C +ATOM 1314 C ALA A 164 -6.159 12.624 7.951 1.00 95.30 C +ATOM 1315 CB ALA A 164 -4.804 12.177 10.010 1.00 93.17 C +ATOM 1316 O ALA A 164 -6.122 11.954 6.917 1.00 95.34 O +ATOM 1317 N THR A 165 -7.292 13.171 8.385 1.00 95.95 N +ATOM 1318 CA THR A 165 -8.591 12.959 7.756 1.00 96.47 C +ATOM 1319 C THR A 165 -8.615 13.552 6.351 1.00 96.64 C +ATOM 1320 CB THR A 165 -9.725 13.575 8.596 1.00 95.72 C +ATOM 1321 O THR A 165 -9.060 12.900 5.403 1.00 96.68 O +ATOM 1322 CG2 THR A 165 -11.087 13.305 7.965 1.00 93.53 C +ATOM 1323 OG1 THR A 165 -9.700 13.008 9.912 1.00 94.48 O +ATOM 1324 N ALA A 166 -8.058 14.722 6.180 1.00 96.23 N +ATOM 1325 CA ALA A 166 -7.961 15.352 4.866 1.00 96.45 C +ATOM 1326 C ALA A 166 -7.101 14.519 3.920 1.00 96.44 C +ATOM 1327 CB ALA A 166 -7.393 16.763 4.994 1.00 95.63 C +ATOM 1328 O ALA A 166 -7.478 14.287 2.769 1.00 96.19 O +ATOM 1329 N GLY A 167 -5.999 14.010 4.378 1.00 96.01 N +ATOM 1330 CA GLY A 167 -5.139 13.124 3.609 1.00 96.37 C +ATOM 1331 C GLY A 167 -5.817 11.823 3.222 1.00 96.87 C +ATOM 1332 O GLY A 167 -5.714 11.380 2.076 1.00 96.81 O +ATOM 1333 N ILE A 168 -6.575 11.236 4.076 1.00 96.92 N +ATOM 1334 CA ILE A 168 -7.352 10.028 3.821 1.00 97.29 C +ATOM 1335 C ILE A 168 -8.424 10.315 2.773 1.00 97.36 C +ATOM 1336 CB ILE A 168 -7.999 9.489 5.117 1.00 97.00 C +ATOM 1337 O ILE A 168 -8.525 9.606 1.769 1.00 97.31 O +ATOM 1338 CG1 ILE A 168 -6.931 8.884 6.036 1.00 96.59 C +ATOM 1339 CG2 ILE A 168 -9.086 8.461 4.790 1.00 96.64 C +ATOM 1340 CD1 ILE A 168 -7.406 8.647 7.463 1.00 94.76 C +ATOM 1341 N ILE A 169 -9.211 11.372 2.929 1.00 97.98 N +ATOM 1342 CA ILE A 169 -10.263 11.759 1.996 1.00 98.10 C +ATOM 1343 C ILE A 169 -9.654 12.066 0.630 1.00 98.03 C +ATOM 1344 CB ILE A 169 -11.059 12.978 2.514 1.00 97.97 C +ATOM 1345 O ILE A 169 -10.131 11.574 -0.395 1.00 97.89 O +ATOM 1346 CG1 ILE A 169 -11.904 12.586 3.731 1.00 97.74 C +ATOM 1347 CG2 ILE A 169 -11.935 13.563 1.403 1.00 97.63 C +ATOM 1348 CD1 ILE A 169 -12.499 13.771 4.479 1.00 96.78 C +ATOM 1349 N PHE A 170 -8.566 12.777 0.596 1.00 96.73 N +ATOM 1350 CA PHE A 170 -7.830 13.080 -0.626 1.00 96.85 C +ATOM 1351 C PHE A 170 -7.381 11.799 -1.319 1.00 96.59 C +ATOM 1352 CB PHE A 170 -6.618 13.964 -0.319 1.00 96.54 C +ATOM 1353 O PHE A 170 -7.597 11.629 -2.520 1.00 96.19 O +ATOM 1354 CG PHE A 170 -5.721 14.197 -1.505 1.00 95.45 C +ATOM 1355 CD1 PHE A 170 -6.029 15.172 -2.446 1.00 93.95 C +ATOM 1356 CD2 PHE A 170 -4.569 13.440 -1.679 1.00 93.99 C +ATOM 1357 CE1 PHE A 170 -5.201 15.390 -3.545 1.00 92.99 C +ATOM 1358 CE2 PHE A 170 -3.737 13.652 -2.774 1.00 92.21 C +ATOM 1359 CZ PHE A 170 -4.055 14.626 -3.707 1.00 91.77 C +ATOM 1360 N SER A 171 -6.857 10.817 -0.613 1.00 96.85 N +ATOM 1361 CA SER A 171 -6.361 9.572 -1.191 1.00 96.92 C +ATOM 1362 C SER A 171 -7.478 8.802 -1.887 1.00 96.87 C +ATOM 1363 CB SER A 171 -5.723 8.696 -0.111 1.00 95.81 C +ATOM 1364 O SER A 171 -7.302 8.320 -3.008 1.00 96.43 O +ATOM 1365 OG SER A 171 -6.709 8.190 0.772 1.00 80.79 O +ATOM 1366 N TRP A 172 -8.681 8.732 -1.308 1.00 97.88 N +ATOM 1367 CA TRP A 172 -9.820 8.009 -1.862 1.00 98.03 C +ATOM 1368 C TRP A 172 -10.426 8.765 -3.039 1.00 97.52 C +ATOM 1369 CB TRP A 172 -10.885 7.777 -0.785 1.00 98.09 C +ATOM 1370 O TRP A 172 -10.680 8.182 -4.096 1.00 96.48 O +ATOM 1371 CG TRP A 172 -10.574 6.641 0.143 1.00 97.98 C +ATOM 1372 CD1 TRP A 172 -10.077 6.729 1.414 1.00 97.41 C +ATOM 1373 CD2 TRP A 172 -10.736 5.246 -0.129 1.00 97.15 C +ATOM 1374 CE2 TRP A 172 -10.318 4.544 1.023 1.00 97.18 C +ATOM 1375 CE3 TRP A 172 -11.196 4.521 -1.236 1.00 95.99 C +ATOM 1376 NE1 TRP A 172 -9.921 5.471 1.948 1.00 95.28 N +ATOM 1377 CH2 TRP A 172 -10.800 2.464 0.001 1.00 95.24 C +ATOM 1378 CZ2 TRP A 172 -10.346 3.149 1.098 1.00 95.24 C +ATOM 1379 CZ3 TRP A 172 -11.223 3.133 -1.159 1.00 95.28 C +ATOM 1380 N ILE A 173 -10.599 10.121 -2.949 1.00 97.59 N +ATOM 1381 CA ILE A 173 -11.102 10.931 -4.053 1.00 97.57 C +ATOM 1382 C ILE A 173 -10.137 10.851 -5.234 1.00 97.10 C +ATOM 1383 CB ILE A 173 -11.306 12.403 -3.627 1.00 97.50 C +ATOM 1384 O ILE A 173 -10.555 10.619 -6.371 1.00 96.56 O +ATOM 1385 CG1 ILE A 173 -12.475 12.516 -2.642 1.00 97.12 C +ATOM 1386 CG2 ILE A 173 -11.534 13.293 -4.852 1.00 96.93 C +ATOM 1387 CD1 ILE A 173 -12.648 13.905 -2.044 1.00 96.23 C +ATOM 1388 N TRP A 174 -8.852 10.938 -4.972 1.00 95.28 N +ATOM 1389 CA TRP A 174 -7.807 10.826 -5.985 1.00 95.72 C +ATOM 1390 C TRP A 174 -7.849 9.461 -6.663 1.00 94.59 C +ATOM 1391 CB TRP A 174 -6.428 11.058 -5.362 1.00 95.19 C +ATOM 1392 O TRP A 174 -7.908 9.373 -7.891 1.00 92.49 O +ATOM 1393 CG TRP A 174 -5.305 11.068 -6.356 1.00 92.58 C +ATOM 1394 CD1 TRP A 174 -4.530 10.006 -6.734 1.00 88.44 C +ATOM 1395 CD2 TRP A 174 -4.828 12.196 -7.095 1.00 88.98 C +ATOM 1396 CE2 TRP A 174 -3.761 11.745 -7.904 1.00 89.67 C +ATOM 1397 CE3 TRP A 174 -5.200 13.546 -7.153 1.00 81.60 C +ATOM 1398 NE1 TRP A 174 -3.600 10.407 -7.665 1.00 82.68 N +ATOM 1399 CH2 TRP A 174 -3.446 13.913 -8.799 1.00 85.01 C +ATOM 1400 CZ2 TRP A 174 -3.062 12.598 -8.762 1.00 84.48 C +ATOM 1401 CZ3 TRP A 174 -4.503 14.393 -8.007 1.00 84.04 C +ATOM 1402 N ALA A 175 -7.944 8.357 -5.889 1.00 94.81 N +ATOM 1403 CA ALA A 175 -8.013 6.986 -6.390 1.00 94.79 C +ATOM 1404 C ALA A 175 -9.251 6.783 -7.260 1.00 94.12 C +ATOM 1405 CB ALA A 175 -8.014 5.995 -5.229 1.00 94.25 C +ATOM 1406 O ALA A 175 -9.153 6.276 -8.380 1.00 93.12 O +ATOM 1407 N ILE A 176 -10.414 7.243 -6.836 1.00 94.47 N +ATOM 1408 CA ILE A 176 -11.677 7.111 -7.555 1.00 94.28 C +ATOM 1409 C ILE A 176 -11.605 7.884 -8.870 1.00 92.89 C +ATOM 1410 CB ILE A 176 -12.866 7.610 -6.704 1.00 94.41 C +ATOM 1411 O ILE A 176 -11.944 7.351 -9.929 1.00 91.51 O +ATOM 1412 CG1 ILE A 176 -13.156 6.628 -5.563 1.00 94.56 C +ATOM 1413 CG2 ILE A 176 -14.107 7.815 -7.578 1.00 94.34 C +ATOM 1414 CD1 ILE A 176 -14.027 7.205 -4.456 1.00 93.96 C +ATOM 1415 N LEU A 177 -11.080 9.108 -8.856 1.00 92.55 N +ATOM 1416 CA LEU A 177 -10.999 9.963 -10.036 1.00 91.92 C +ATOM 1417 C LEU A 177 -10.059 9.365 -11.077 1.00 90.06 C +ATOM 1418 CB LEU A 177 -10.525 11.366 -9.650 1.00 91.66 C +ATOM 1419 O LEU A 177 -10.395 9.306 -12.262 1.00 88.24 O +ATOM 1420 CG LEU A 177 -11.536 12.244 -8.910 1.00 90.99 C +ATOM 1421 CD1 LEU A 177 -10.886 13.555 -8.481 1.00 89.69 C +ATOM 1422 CD2 LEU A 177 -12.757 12.508 -9.785 1.00 89.30 C +ATOM 1423 N TRP A 178 -8.950 8.740 -10.656 1.00 90.19 N +ATOM 1424 CA TRP A 178 -7.942 8.210 -11.569 1.00 90.09 C +ATOM 1425 C TRP A 178 -8.345 6.834 -12.086 1.00 87.35 C +ATOM 1426 CB TRP A 178 -6.579 8.130 -10.876 1.00 87.96 C +ATOM 1427 O TRP A 178 -7.955 6.438 -13.187 1.00 82.75 O +ATOM 1428 CG TRP A 178 -5.819 9.423 -10.874 1.00 80.31 C +ATOM 1429 CD1 TRP A 178 -5.639 10.271 -9.817 1.00 73.35 C +ATOM 1430 CD2 TRP A 178 -5.141 10.016 -11.985 1.00 74.80 C +ATOM 1431 CE2 TRP A 178 -4.571 11.225 -11.529 1.00 74.65 C +ATOM 1432 CE3 TRP A 178 -4.960 9.643 -13.324 1.00 73.68 C +ATOM 1433 NE1 TRP A 178 -4.889 11.357 -10.204 1.00 77.09 N +ATOM 1434 CH2 TRP A 178 -3.668 11.675 -13.670 1.00 75.80 C +ATOM 1435 CZ2 TRP A 178 -3.830 12.064 -12.366 1.00 76.78 C +ATOM 1436 CZ3 TRP A 178 -4.223 10.479 -14.154 1.00 75.80 C +ATOM 1437 N CYS A 179 -9.203 6.173 -11.388 1.00 88.86 N +ATOM 1438 CA CYS A 179 -9.655 4.851 -11.806 1.00 88.37 C +ATOM 1439 C CYS A 179 -10.967 4.941 -12.576 1.00 87.42 C +ATOM 1440 CB CYS A 179 -9.826 3.935 -10.595 1.00 87.10 C +ATOM 1441 O CYS A 179 -11.442 3.943 -13.121 1.00 84.91 O +ATOM 1442 SG CYS A 179 -8.278 3.557 -9.743 1.00 89.45 S +ATOM 1443 N ALA A 180 -11.563 6.124 -12.744 1.00 87.97 N +ATOM 1444 CA ALA A 180 -12.873 6.309 -13.362 1.00 87.45 C +ATOM 1445 C ALA A 180 -12.787 6.172 -14.879 1.00 86.26 C +ATOM 1446 CB ALA A 180 -13.453 7.670 -12.985 1.00 86.20 C +ATOM 1447 O ALA A 180 -13.686 5.611 -15.510 1.00 84.21 O +ATOM 1448 N PRO A 181 -11.748 6.568 -15.577 1.00 82.83 N +ATOM 1449 CA PRO A 181 -11.753 6.660 -17.038 1.00 81.96 C +ATOM 1450 C PRO A 181 -12.010 5.315 -17.713 1.00 81.18 C +ATOM 1451 CB PRO A 181 -10.349 7.175 -17.364 1.00 80.05 C +ATOM 1452 O PRO A 181 -12.778 5.239 -18.675 1.00 78.08 O +ATOM 1453 CG PRO A 181 -9.973 8.027 -16.195 1.00 79.49 C +ATOM 1454 CD PRO A 181 -10.476 7.367 -14.943 1.00 80.34 C +ATOM 1455 N PRO A 182 -11.527 4.139 -17.175 1.00 78.17 N +ATOM 1456 CA PRO A 182 -11.830 2.842 -17.785 1.00 77.27 C +ATOM 1457 C PRO A 182 -13.313 2.488 -17.713 1.00 77.75 C +ATOM 1458 CB PRO A 182 -10.993 1.861 -16.961 1.00 76.04 C +ATOM 1459 O PRO A 182 -13.838 1.824 -18.610 1.00 75.72 O +ATOM 1460 CG PRO A 182 -9.839 2.669 -16.461 1.00 75.63 C +ATOM 1461 CD PRO A 182 -10.324 4.058 -16.160 1.00 75.66 C +ATOM 1462 N ILE A 183 -14.047 2.912 -16.759 1.00 78.41 N +ATOM 1463 CA ILE A 183 -15.479 2.683 -16.601 1.00 77.93 C +ATOM 1464 C ILE A 183 -16.244 3.422 -17.696 1.00 77.57 C +ATOM 1465 CB ILE A 183 -15.973 3.130 -15.207 1.00 76.87 C +ATOM 1466 O ILE A 183 -17.255 2.927 -18.199 1.00 76.06 O +ATOM 1467 CG1 ILE A 183 -15.262 2.333 -14.107 1.00 78.60 C +ATOM 1468 CG2 ILE A 183 -17.493 2.978 -15.098 1.00 78.25 C +ATOM 1469 CD1 ILE A 183 -15.604 2.786 -12.694 1.00 75.95 C +ATOM 1470 N PHE A 184 -15.656 4.541 -18.139 1.00 77.58 N +ATOM 1471 CA PHE A 184 -16.293 5.380 -19.147 1.00 76.99 C +ATOM 1472 C PHE A 184 -15.836 4.987 -20.546 1.00 75.27 C +ATOM 1473 CB PHE A 184 -15.986 6.858 -18.890 1.00 74.87 C +ATOM 1474 O PHE A 184 -16.116 5.692 -21.518 1.00 72.15 O +ATOM 1475 CG PHE A 184 -16.561 7.383 -17.602 1.00 76.40 C +ATOM 1476 CD1 PHE A 184 -17.935 7.402 -17.395 1.00 75.95 C +ATOM 1477 CD2 PHE A 184 -15.727 7.858 -16.598 1.00 76.64 C +ATOM 1478 CE1 PHE A 184 -18.470 7.887 -16.204 1.00 76.14 C +ATOM 1479 CE2 PHE A 184 -16.255 8.344 -15.405 1.00 75.37 C +ATOM 1480 CZ PHE A 184 -17.627 8.359 -15.211 1.00 72.77 C +ATOM 1481 N GLY A 185 -15.159 3.912 -20.640 1.00 72.81 N +ATOM 1482 CA GLY A 185 -14.745 3.351 -21.916 1.00 71.12 C +ATOM 1483 C GLY A 185 -13.496 4.002 -22.478 1.00 71.66 C +ATOM 1484 O GLY A 185 -13.101 3.725 -23.612 1.00 69.36 O +ATOM 1485 N TRP A 186 -12.820 4.956 -21.735 1.00 52.60 N +ATOM 1486 CA TRP A 186 -11.594 5.617 -22.170 1.00 59.24 C +ATOM 1487 C TRP A 186 -10.421 4.642 -22.172 1.00 49.05 C +ATOM 1488 CB TRP A 186 -11.278 6.813 -21.268 1.00 46.27 C +ATOM 1489 O TRP A 186 -9.422 4.865 -22.859 1.00 44.99 O +ATOM 1490 CG TRP A 186 -12.262 7.939 -21.382 1.00 40.64 C +ATOM 1491 CD1 TRP A 186 -13.360 7.995 -22.195 1.00 33.97 C +ATOM 1492 CD2 TRP A 186 -12.233 9.174 -20.661 1.00 39.25 C +ATOM 1493 CE2 TRP A 186 -13.346 9.933 -21.087 1.00 40.83 C +ATOM 1494 CE3 TRP A 186 -11.374 9.714 -19.694 1.00 59.94 C +ATOM 1495 NE1 TRP A 186 -14.016 9.191 -22.022 1.00 62.93 N +ATOM 1496 CH2 TRP A 186 -12.765 11.709 -19.634 1.00 55.64 C +ATOM 1497 CZ2 TRP A 186 -13.622 11.204 -20.578 1.00 65.30 C +ATOM 1498 CZ3 TRP A 186 -11.650 10.980 -19.190 1.00 48.22 C +ATOM 1499 N SER A 187 -10.604 3.511 -21.519 1.00 66.02 N +ATOM 1500 CA SER A 187 -9.722 2.348 -21.478 1.00 64.35 C +ATOM 1501 C SER A 187 -10.513 1.062 -21.263 1.00 65.20 C +ATOM 1502 CB SER A 187 -8.679 2.505 -20.371 1.00 59.83 C +ATOM 1503 O SER A 187 -11.607 1.087 -20.695 1.00 60.58 O +ATOM 1504 OG SER A 187 -9.143 1.939 -19.158 1.00 56.14 O +ATOM 1505 N ARG A 188 -10.163 0.036 -22.025 1.00 65.74 N +ATOM 1506 CA ARG A 188 -10.799 -1.262 -21.826 1.00 63.65 C +ATOM 1507 C ARG A 188 -10.117 -2.039 -20.705 1.00 65.80 C +ATOM 1508 CB ARG A 188 -10.772 -2.078 -23.120 1.00 61.47 C +ATOM 1509 O ARG A 188 -8.888 -2.124 -20.660 1.00 63.27 O +ATOM 1510 CG ARG A 188 -11.558 -1.450 -24.260 1.00 59.59 C +ATOM 1511 CD ARG A 188 -11.526 -2.316 -25.512 1.00 59.73 C +ATOM 1512 NE ARG A 188 -12.241 -1.690 -26.620 1.00 49.84 N +ATOM 1513 NH1 ARG A 188 -11.983 -3.472 -28.066 1.00 48.27 N +ATOM 1514 NH2 ARG A 188 -13.107 -1.593 -28.745 1.00 45.22 N +ATOM 1515 CZ ARG A 188 -12.442 -2.253 -27.808 1.00 58.91 C +ATOM 1516 N TYR A 189 -10.808 -2.476 -19.674 1.00 63.32 N +ATOM 1517 CA TYR A 189 -10.345 -3.575 -18.835 1.00 60.66 C +ATOM 1518 C TYR A 189 -10.430 -4.902 -19.578 1.00 62.54 C +ATOM 1519 CB TYR A 189 -11.165 -3.647 -17.543 1.00 57.25 C +ATOM 1520 O TYR A 189 -11.487 -5.261 -20.103 1.00 58.19 O +ATOM 1521 CG TYR A 189 -10.836 -2.555 -16.554 1.00 55.48 C +ATOM 1522 CD1 TYR A 189 -9.697 -2.633 -15.754 1.00 53.33 C +ATOM 1523 CD2 TYR A 189 -11.662 -1.445 -16.416 1.00 57.07 C +ATOM 1524 CE1 TYR A 189 -9.391 -1.630 -14.840 1.00 59.49 C +ATOM 1525 CE2 TYR A 189 -11.365 -0.437 -15.505 1.00 58.77 C +ATOM 1526 OH TYR A 189 -9.931 0.458 -13.819 1.00 53.59 O +ATOM 1527 CZ TYR A 189 -10.229 -0.538 -14.723 1.00 55.62 C +ATOM 1528 N TRP A 190 -9.183 -5.564 -19.595 1.00 53.71 N +ATOM 1529 CA TRP A 190 -9.048 -6.887 -20.196 1.00 61.16 C +ATOM 1530 C TRP A 190 -8.636 -7.920 -19.152 1.00 53.77 C +ATOM 1531 CB TRP A 190 -8.026 -6.858 -21.335 1.00 50.28 C +ATOM 1532 O TRP A 190 -7.892 -7.607 -18.220 1.00 50.95 O +ATOM 1533 CG TRP A 190 -8.497 -6.130 -22.558 1.00 47.03 C +ATOM 1534 CD1 TRP A 190 -8.237 -4.831 -22.896 1.00 40.88 C +ATOM 1535 CD2 TRP A 190 -9.316 -6.660 -23.605 1.00 43.07 C +ATOM 1536 CE2 TRP A 190 -9.513 -5.626 -24.546 1.00 40.17 C +ATOM 1537 CE3 TRP A 190 -9.902 -7.911 -23.839 1.00 47.56 C +ATOM 1538 NE1 TRP A 190 -8.845 -4.522 -24.090 1.00 44.55 N +ATOM 1539 CH2 TRP A 190 -10.835 -7.038 -25.909 1.00 37.04 C +ATOM 1540 CZ2 TRP A 190 -10.273 -5.805 -25.705 1.00 42.11 C +ATOM 1541 CZ3 TRP A 190 -10.658 -8.087 -24.993 1.00 36.00 C +ATOM 1542 N PRO A 191 -9.155 -9.125 -19.224 1.00 55.25 N +ATOM 1543 CA PRO A 191 -8.502 -10.181 -18.446 1.00 52.82 C +ATOM 1544 C PRO A 191 -7.028 -10.352 -18.804 1.00 55.47 C +ATOM 1545 CB PRO A 191 -9.302 -11.434 -18.812 1.00 51.16 C +ATOM 1546 O PRO A 191 -6.695 -10.593 -19.967 1.00 53.68 O +ATOM 1547 CG PRO A 191 -9.928 -11.116 -20.131 1.00 47.90 C +ATOM 1548 CD PRO A 191 -10.011 -9.623 -20.272 1.00 50.01 C +ATOM 1549 N HIS A 192 -6.131 -10.236 -17.847 1.00 57.37 N +ATOM 1550 CA HIS A 192 -4.700 -10.487 -17.981 1.00 56.29 C +ATOM 1551 C HIS A 192 -4.415 -11.977 -18.145 1.00 57.39 C +ATOM 1552 CB HIS A 192 -3.944 -9.939 -16.769 1.00 52.66 C +ATOM 1553 O HIS A 192 -4.975 -12.803 -17.422 1.00 54.59 O +ATOM 1554 CG HIS A 192 -3.970 -8.447 -16.672 1.00 49.37 C +ATOM 1555 CD2 HIS A 192 -4.509 -7.626 -15.740 1.00 46.75 C +ATOM 1556 ND1 HIS A 192 -3.390 -7.629 -17.617 1.00 47.36 N +ATOM 1557 CE1 HIS A 192 -3.571 -6.366 -17.270 1.00 44.09 C +ATOM 1558 NE2 HIS A 192 -4.247 -6.337 -16.134 1.00 40.91 N +ATOM 1559 N GLY A 193 -3.560 -12.376 -19.242 1.00 50.86 N +ATOM 1560 CA GLY A 193 -2.934 -13.587 -19.748 1.00 49.78 C +ATOM 1561 C GLY A 193 -3.460 -14.850 -19.093 1.00 50.55 C +ATOM 1562 O GLY A 193 -3.883 -15.782 -19.781 1.00 48.31 O +ATOM 1563 N LEU A 194 -3.309 -14.915 -17.634 1.00 46.11 N +ATOM 1564 CA LEU A 194 -3.702 -16.139 -16.944 1.00 44.77 C +ATOM 1565 C LEU A 194 -5.179 -16.101 -16.568 1.00 46.70 C +ATOM 1566 CB LEU A 194 -2.849 -16.345 -15.690 1.00 40.52 C +ATOM 1567 O LEU A 194 -5.658 -16.965 -15.829 1.00 44.19 O +ATOM 1568 CG LEU A 194 -1.383 -16.717 -15.920 1.00 37.35 C +ATOM 1569 CD1 LEU A 194 -0.609 -16.658 -14.607 1.00 30.24 C +ATOM 1570 CD2 LEU A 194 -1.275 -18.101 -16.549 1.00 34.44 C +ATOM 1571 N LYS A 195 -5.966 -15.072 -17.088 1.00 50.37 N +ATOM 1572 CA LYS A 195 -7.359 -14.879 -16.694 1.00 49.19 C +ATOM 1573 C LYS A 195 -7.485 -14.724 -15.181 1.00 51.14 C +ATOM 1574 CB LYS A 195 -8.220 -16.048 -17.174 1.00 45.12 C +ATOM 1575 O LYS A 195 -8.512 -15.079 -14.599 1.00 48.77 O +ATOM 1576 CG LYS A 195 -8.292 -16.182 -18.688 1.00 41.55 C +ATOM 1577 CD LYS A 195 -9.272 -17.270 -19.107 1.00 45.37 C +ATOM 1578 CE LYS A 195 -9.386 -17.369 -20.622 1.00 33.83 C +ATOM 1579 NZ LYS A 195 -10.396 -18.388 -21.037 1.00 32.17 N +ATOM 1580 N THR A 196 -6.363 -14.556 -14.455 1.00 52.55 N +ATOM 1581 CA THR A 196 -6.332 -14.604 -12.997 1.00 52.10 C +ATOM 1582 C THR A 196 -6.620 -13.228 -12.404 1.00 53.54 C +ATOM 1583 CB THR A 196 -4.972 -15.112 -12.484 1.00 47.40 C +ATOM 1584 O THR A 196 -6.992 -13.116 -11.234 1.00 51.29 O +ATOM 1585 CG2 THR A 196 -4.763 -16.580 -12.841 1.00 38.65 C +ATOM 1586 OG1 THR A 196 -3.923 -14.334 -13.075 1.00 41.24 O +ATOM 1587 N SER A 197 -6.521 -12.128 -13.155 1.00 60.33 N +ATOM 1588 CA SER A 197 -6.850 -10.781 -12.700 1.00 59.70 C +ATOM 1589 C SER A 197 -7.315 -9.904 -13.857 1.00 61.78 C +ATOM 1590 CB SER A 197 -5.644 -10.138 -12.014 1.00 55.45 C +ATOM 1591 O SER A 197 -6.785 -9.998 -14.966 1.00 59.35 O +ATOM 1592 OG SER A 197 -4.541 -10.064 -12.901 1.00 52.29 O +ATOM 1593 N CYS A 198 -8.401 -9.168 -13.552 1.00 61.79 N +ATOM 1594 CA CYS A 198 -8.838 -8.047 -14.376 1.00 62.93 C +ATOM 1595 C CYS A 198 -8.090 -6.773 -14.004 1.00 61.83 C +ATOM 1596 CB CYS A 198 -10.343 -7.828 -14.229 1.00 57.03 C +ATOM 1597 O CYS A 198 -8.005 -6.420 -12.826 1.00 58.70 O +ATOM 1598 SG CYS A 198 -11.339 -9.241 -14.752 1.00 70.69 S +ATOM 1599 N GLY A 199 -7.231 -6.280 -14.868 1.00 65.13 N +ATOM 1600 CA GLY A 199 -6.549 -5.003 -14.728 1.00 64.30 C +ATOM 1601 C GLY A 199 -6.724 -4.098 -15.933 1.00 66.13 C +ATOM 1602 O GLY A 199 -7.273 -4.515 -16.955 1.00 64.34 O +ATOM 1603 N PRO A 200 -6.423 -2.752 -15.669 1.00 58.58 N +ATOM 1604 CA PRO A 200 -6.332 -1.911 -16.865 1.00 56.78 C +ATOM 1605 C PRO A 200 -5.450 -2.524 -17.951 1.00 59.10 C +ATOM 1606 CB PRO A 200 -5.723 -0.611 -16.336 1.00 54.98 C +ATOM 1607 O PRO A 200 -4.477 -3.216 -17.643 1.00 57.16 O +ATOM 1608 CG PRO A 200 -4.961 -1.015 -15.115 1.00 52.69 C +ATOM 1609 CD PRO A 200 -5.604 -2.242 -14.536 1.00 55.02 C +ATOM 1610 N ASP A 201 -5.876 -2.396 -19.172 1.00 58.22 N +ATOM 1611 CA ASP A 201 -5.232 -2.907 -20.378 1.00 57.17 C +ATOM 1612 C ASP A 201 -3.764 -2.488 -20.436 1.00 58.53 C +ATOM 1613 CB ASP A 201 -5.968 -2.420 -21.627 1.00 52.45 C +ATOM 1614 O ASP A 201 -3.272 -2.078 -21.490 1.00 55.50 O +ATOM 1615 CG ASP A 201 -5.887 -3.401 -22.783 1.00 49.16 C +ATOM 1616 OD1 ASP A 201 -5.285 -4.485 -22.623 1.00 50.01 O +ATOM 1617 OD2 ASP A 201 -6.428 -3.087 -23.866 1.00 51.03 O +ATOM 1618 N VAL A 202 -3.100 -2.427 -19.357 1.00 61.88 N +ATOM 1619 CA VAL A 202 -1.672 -2.127 -19.337 1.00 61.21 C +ATOM 1620 C VAL A 202 -0.926 -3.107 -20.239 1.00 62.06 C +ATOM 1621 CB VAL A 202 -1.100 -2.183 -17.902 1.00 57.90 C +ATOM 1622 O VAL A 202 0.106 -2.764 -20.820 1.00 59.46 O +ATOM 1623 CG1 VAL A 202 0.358 -1.728 -17.884 1.00 50.80 C +ATOM 1624 CG2 VAL A 202 -1.943 -1.325 -16.959 1.00 51.56 C +ATOM 1625 N PHE A 203 -1.539 -4.265 -20.476 1.00 62.85 N +ATOM 1626 CA PHE A 203 -0.769 -5.405 -20.959 1.00 62.47 C +ATOM 1627 C PHE A 203 -1.222 -5.811 -22.356 1.00 62.80 C +ATOM 1628 CB PHE A 203 -0.903 -6.591 -19.998 1.00 58.65 C +ATOM 1629 O PHE A 203 -0.593 -6.655 -22.998 1.00 59.55 O +ATOM 1630 CG PHE A 203 -0.432 -6.295 -18.600 1.00 54.97 C +ATOM 1631 CD1 PHE A 203 0.908 -6.031 -18.343 1.00 51.65 C +ATOM 1632 CD2 PHE A 203 -1.331 -6.281 -17.541 1.00 53.32 C +ATOM 1633 CE1 PHE A 203 1.346 -5.757 -17.050 1.00 49.88 C +ATOM 1634 CE2 PHE A 203 -0.900 -6.008 -16.246 1.00 51.75 C +ATOM 1635 CZ PHE A 203 0.438 -5.747 -16.002 1.00 51.13 C +ATOM 1636 N SER A 204 -2.316 -5.314 -22.963 1.00 63.07 N +ATOM 1637 CA SER A 204 -2.839 -5.786 -24.240 1.00 62.20 C +ATOM 1638 C SER A 204 -2.028 -5.234 -25.408 1.00 63.27 C +ATOM 1639 CB SER A 204 -4.308 -5.391 -24.398 1.00 59.64 C +ATOM 1640 O SER A 204 -2.247 -5.616 -26.559 1.00 60.80 O +ATOM 1641 OG SER A 204 -4.444 -3.983 -24.480 1.00 57.52 O +ATOM 1642 N GLY A 205 -1.010 -4.293 -25.141 1.00 65.05 N +ATOM 1643 CA GLY A 205 -0.336 -3.708 -26.290 1.00 64.69 C +ATOM 1644 C GLY A 205 -1.237 -2.811 -27.117 1.00 66.28 C +ATOM 1645 O GLY A 205 -1.078 -2.717 -28.336 1.00 65.10 O +ATOM 1646 N SER A 206 -2.352 -2.270 -26.571 1.00 70.73 N +ATOM 1647 CA SER A 206 -3.196 -1.340 -27.314 1.00 70.50 C +ATOM 1648 C SER A 206 -2.369 -0.222 -27.940 1.00 71.97 C +ATOM 1649 CB SER A 206 -4.268 -0.742 -26.401 1.00 69.01 C +ATOM 1650 O SER A 206 -1.668 0.508 -27.236 1.00 71.52 O +ATOM 1651 OG SER A 206 -5.115 0.132 -27.126 1.00 68.26 O +ATOM 1652 N GLU A 207 -2.443 -0.082 -29.238 1.00 74.38 N +ATOM 1653 CA GLU A 207 -1.786 0.975 -30.003 1.00 74.85 C +ATOM 1654 C GLU A 207 -2.542 2.295 -29.882 1.00 75.89 C +ATOM 1655 CB GLU A 207 -1.659 0.574 -31.474 1.00 72.68 C +ATOM 1656 O GLU A 207 -2.078 3.328 -30.368 1.00 75.51 O +ATOM 1657 CG GLU A 207 -0.760 -0.632 -31.708 1.00 70.48 C +ATOM 1658 CD GLU A 207 -0.458 -0.880 -33.177 1.00 69.71 C +ATOM 1659 OE1 GLU A 207 -1.214 -0.385 -34.044 1.00 69.80 O +ATOM 1660 OE2 GLU A 207 0.542 -1.576 -33.464 1.00 66.18 O +ATOM 1661 N ASP A 208 -3.677 2.267 -29.204 1.00 76.53 N +ATOM 1662 CA ASP A 208 -4.453 3.485 -28.993 1.00 77.10 C +ATOM 1663 C ASP A 208 -3.665 4.502 -28.170 1.00 78.62 C +ATOM 1664 CB ASP A 208 -5.779 3.163 -28.301 1.00 75.55 C +ATOM 1665 O ASP A 208 -3.325 4.243 -27.014 1.00 79.00 O +ATOM 1666 CG ASP A 208 -6.668 4.382 -28.127 1.00 72.75 C +ATOM 1667 OD1 ASP A 208 -6.142 5.512 -28.028 1.00 72.89 O +ATOM 1668 OD2 ASP A 208 -7.906 4.212 -28.084 1.00 72.08 O +ATOM 1669 N PRO A 209 -3.343 5.706 -28.736 1.00 79.24 N +ATOM 1670 CA PRO A 209 -2.539 6.723 -28.053 1.00 79.98 C +ATOM 1671 C PRO A 209 -3.194 7.231 -26.772 1.00 80.48 C +ATOM 1672 CB PRO A 209 -2.429 7.842 -29.092 1.00 78.46 C +ATOM 1673 O PRO A 209 -2.498 7.607 -25.825 1.00 80.30 O +ATOM 1674 CG PRO A 209 -3.593 7.630 -30.005 1.00 78.71 C +ATOM 1675 CD PRO A 209 -3.884 6.158 -30.075 1.00 79.94 C +ATOM 1676 N GLY A 210 -4.519 7.292 -26.696 1.00 79.29 N +ATOM 1677 CA GLY A 210 -5.253 7.667 -25.498 1.00 79.18 C +ATOM 1678 C GLY A 210 -5.034 6.712 -24.340 1.00 79.37 C +ATOM 1679 O GLY A 210 -4.701 7.137 -23.232 1.00 78.12 O +ATOM 1680 N VAL A 211 -5.102 5.381 -24.598 1.00 78.01 N +ATOM 1681 CA VAL A 211 -4.858 4.345 -23.599 1.00 77.86 C +ATOM 1682 C VAL A 211 -3.416 4.433 -23.106 1.00 78.56 C +ATOM 1683 CB VAL A 211 -5.144 2.935 -24.163 1.00 76.49 C +ATOM 1684 O VAL A 211 -3.166 4.446 -21.898 1.00 77.78 O +ATOM 1685 CG1 VAL A 211 -4.776 1.861 -23.141 1.00 74.41 C +ATOM 1686 CG2 VAL A 211 -6.611 2.811 -24.569 1.00 74.62 C +ATOM 1687 N LYS A 212 -2.491 4.623 -24.004 1.00 79.29 N +ATOM 1688 CA LYS A 212 -1.078 4.769 -23.666 1.00 79.82 C +ATOM 1689 C LYS A 212 -0.847 5.994 -22.787 1.00 80.83 C +ATOM 1690 CB LYS A 212 -0.230 4.867 -24.935 1.00 78.21 C +ATOM 1691 O LYS A 212 -0.178 5.907 -21.755 1.00 81.04 O +ATOM 1692 CG LYS A 212 1.270 4.861 -24.680 1.00 74.48 C +ATOM 1693 CD LYS A 212 2.058 4.765 -25.979 1.00 72.45 C +ATOM 1694 CE LYS A 212 3.559 4.739 -25.724 1.00 66.17 C +ATOM 1695 NZ LYS A 212 4.330 4.476 -26.976 1.00 64.62 N +ATOM 1696 N SER A 213 -1.358 7.139 -23.187 1.00 82.24 N +ATOM 1697 CA SER A 213 -1.239 8.373 -22.418 1.00 82.69 C +ATOM 1698 C SER A 213 -1.856 8.222 -21.031 1.00 83.03 C +ATOM 1699 CB SER A 213 -1.906 9.534 -23.158 1.00 81.12 C +ATOM 1700 O SER A 213 -1.251 8.614 -20.031 1.00 82.36 O +ATOM 1701 OG SER A 213 -1.691 10.756 -22.474 1.00 78.28 O +ATOM 1702 N TYR A 214 -3.007 7.639 -20.915 1.00 81.98 N +ATOM 1703 CA TYR A 214 -3.669 7.376 -19.642 1.00 82.00 C +ATOM 1704 C TYR A 214 -2.819 6.467 -18.763 1.00 81.87 C +ATOM 1705 CB TYR A 214 -5.045 6.744 -19.872 1.00 80.97 C +ATOM 1706 O TYR A 214 -2.594 6.763 -17.587 1.00 80.66 O +ATOM 1707 CG TYR A 214 -5.698 6.237 -18.609 1.00 80.45 C +ATOM 1708 CD1 TYR A 214 -6.223 7.121 -17.670 1.00 79.17 C +ATOM 1709 CD2 TYR A 214 -5.791 4.873 -18.352 1.00 79.66 C +ATOM 1710 CE1 TYR A 214 -6.825 6.659 -16.504 1.00 79.05 C +ATOM 1711 CE2 TYR A 214 -6.390 4.399 -17.190 1.00 78.99 C +ATOM 1712 OH TYR A 214 -7.498 4.835 -15.121 1.00 76.60 O +ATOM 1713 CZ TYR A 214 -6.904 5.298 -16.273 1.00 75.74 C +ATOM 1714 N MET A 215 -2.191 5.511 -19.287 1.00 81.80 N +ATOM 1715 CA MET A 215 -1.374 4.547 -18.555 1.00 81.78 C +ATOM 1716 C MET A 215 -0.104 5.203 -18.023 1.00 82.73 C +ATOM 1717 CB MET A 215 -1.013 3.358 -19.449 1.00 79.89 C +ATOM 1718 O MET A 215 0.253 5.019 -16.858 1.00 81.94 O +ATOM 1719 CG MET A 215 -2.185 2.436 -19.744 1.00 73.84 C +ATOM 1720 SD MET A 215 -2.858 1.648 -18.229 1.00 69.57 S +ATOM 1721 CE MET A 215 -4.400 0.955 -18.888 1.00 61.93 C +ATOM 1722 N ILE A 216 0.557 5.903 -18.882 1.00 83.57 N +ATOM 1723 CA ILE A 216 1.735 6.662 -18.477 1.00 84.27 C +ATOM 1724 C ILE A 216 1.362 7.638 -17.364 1.00 85.12 C +ATOM 1725 CB ILE A 216 2.355 7.423 -19.671 1.00 83.53 C +ATOM 1726 O ILE A 216 2.047 7.714 -16.341 1.00 85.28 O +ATOM 1727 CG1 ILE A 216 2.996 6.439 -20.656 1.00 84.93 C +ATOM 1728 CG2 ILE A 216 3.378 8.453 -19.182 1.00 84.52 C +ATOM 1729 CD1 ILE A 216 3.371 7.059 -21.995 1.00 82.79 C +ATOM 1730 N THR A 217 0.244 8.296 -17.504 1.00 85.63 N +ATOM 1731 CA THR A 217 -0.224 9.233 -16.489 1.00 86.31 C +ATOM 1732 C THR A 217 -0.583 8.500 -15.200 1.00 86.27 C +ATOM 1733 CB THR A 217 -1.444 10.031 -16.985 1.00 84.94 C +ATOM 1734 O THR A 217 -0.187 8.920 -14.110 1.00 85.52 O +ATOM 1735 CG2 THR A 217 -1.871 11.078 -15.961 1.00 81.04 C +ATOM 1736 OG1 THR A 217 -1.110 10.689 -18.214 1.00 84.92 O +ATOM 1737 N LEU A 218 -1.305 7.339 -15.244 1.00 85.68 N +ATOM 1738 CA LEU A 218 -1.636 6.494 -14.102 1.00 85.56 C +ATOM 1739 C LEU A 218 -0.372 6.001 -13.406 1.00 86.06 C +ATOM 1740 CB LEU A 218 -2.486 5.301 -14.547 1.00 84.14 C +ATOM 1741 O LEU A 218 -0.222 6.165 -12.193 1.00 85.22 O +ATOM 1742 CG LEU A 218 -3.034 4.406 -13.434 1.00 79.52 C +ATOM 1743 CD1 LEU A 218 -4.188 5.099 -12.717 1.00 75.38 C +ATOM 1744 CD2 LEU A 218 -3.479 3.062 -13.999 1.00 75.47 C +ATOM 1745 N LEU A 219 0.592 5.475 -14.134 1.00 85.64 N +ATOM 1746 CA LEU A 219 1.866 5.006 -13.600 1.00 86.13 C +ATOM 1747 C LEU A 219 2.615 6.138 -12.905 1.00 87.35 C +ATOM 1748 CB LEU A 219 2.731 4.416 -14.716 1.00 84.26 C +ATOM 1749 O LEU A 219 3.088 5.976 -11.779 1.00 87.15 O +ATOM 1750 CG LEU A 219 4.099 3.873 -14.299 1.00 77.69 C +ATOM 1751 CD1 LEU A 219 3.933 2.660 -13.390 1.00 72.18 C +ATOM 1752 CD2 LEU A 219 4.931 3.517 -15.527 1.00 72.42 C +ATOM 1753 N PHE A 220 2.725 7.287 -13.510 1.00 87.93 N +ATOM 1754 CA PHE A 220 3.410 8.449 -12.956 1.00 89.30 C +ATOM 1755 C PHE A 220 2.722 8.927 -11.682 1.00 89.60 C +ATOM 1756 CB PHE A 220 3.461 9.585 -13.982 1.00 87.95 C +ATOM 1757 O PHE A 220 3.363 9.063 -10.638 1.00 89.38 O +ATOM 1758 CG PHE A 220 4.193 10.808 -13.499 1.00 84.70 C +ATOM 1759 CD1 PHE A 220 5.582 10.854 -13.511 1.00 81.56 C +ATOM 1760 CD2 PHE A 220 3.491 11.911 -13.031 1.00 82.49 C +ATOM 1761 CE1 PHE A 220 6.262 11.985 -13.064 1.00 81.64 C +ATOM 1762 CE2 PHE A 220 4.164 13.045 -12.582 1.00 81.56 C +ATOM 1763 CZ PHE A 220 5.549 13.079 -12.599 1.00 79.59 C +ATOM 1764 N THR A 221 1.392 9.075 -11.671 1.00 89.87 N +ATOM 1765 CA THR A 221 0.656 9.746 -10.606 1.00 90.00 C +ATOM 1766 C THR A 221 0.348 8.777 -9.468 1.00 89.34 C +ATOM 1767 CB THR A 221 -0.655 10.358 -11.132 1.00 88.44 C +ATOM 1768 O THR A 221 0.238 9.185 -8.310 1.00 87.77 O +ATOM 1769 CG2 THR A 221 -0.378 11.494 -12.111 1.00 83.68 C +ATOM 1770 OG1 THR A 221 -1.415 9.343 -11.799 1.00 85.54 O +ATOM 1771 N CYS A 222 0.292 7.469 -9.729 1.00 88.47 N +ATOM 1772 CA CYS A 222 -0.129 6.492 -8.731 1.00 88.24 C +ATOM 1773 C CYS A 222 1.063 5.703 -8.204 1.00 87.00 C +ATOM 1774 CB CYS A 222 -1.165 5.535 -9.320 1.00 85.91 C +ATOM 1775 O CYS A 222 1.018 5.170 -7.094 1.00 83.83 O +ATOM 1776 SG CYS A 222 -2.664 6.356 -9.906 1.00 83.00 S +ATOM 1777 N CYS A 223 2.185 5.671 -8.968 1.00 87.69 N +ATOM 1778 CA CYS A 223 3.343 4.898 -8.531 1.00 87.73 C +ATOM 1779 C CYS A 223 4.560 5.796 -8.345 1.00 88.29 C +ATOM 1780 CB CYS A 223 3.661 3.794 -9.539 1.00 85.81 C +ATOM 1781 O CYS A 223 5.045 5.968 -7.226 1.00 87.02 O +ATOM 1782 SG CYS A 223 2.307 2.626 -9.792 1.00 85.23 S +ATOM 1783 N ILE A 224 5.020 6.544 -9.339 1.00 88.03 N +ATOM 1784 CA ILE A 224 6.297 7.250 -9.341 1.00 88.92 C +ATOM 1785 C ILE A 224 6.221 8.457 -8.408 1.00 89.84 C +ATOM 1786 CB ILE A 224 6.693 7.697 -10.766 1.00 88.27 C +ATOM 1787 O ILE A 224 7.111 8.666 -7.581 1.00 90.01 O +ATOM 1788 CG1 ILE A 224 6.928 6.476 -11.663 1.00 88.50 C +ATOM 1789 CG2 ILE A 224 7.933 8.595 -10.725 1.00 88.14 C +ATOM 1790 CD1 ILE A 224 7.190 6.822 -13.122 1.00 86.39 C +ATOM 1791 N LEU A 225 5.118 9.220 -8.481 1.00 91.93 N +ATOM 1792 CA LEU A 225 4.970 10.440 -7.694 1.00 92.59 C +ATOM 1793 C LEU A 225 4.848 10.116 -6.209 1.00 92.93 C +ATOM 1794 CB LEU A 225 3.746 11.233 -8.158 1.00 91.81 C +ATOM 1795 O LEU A 225 5.610 10.637 -5.391 1.00 92.67 O +ATOM 1796 CG LEU A 225 3.403 12.485 -7.351 1.00 90.01 C +ATOM 1797 CD1 LEU A 225 4.550 13.489 -7.416 1.00 88.05 C +ATOM 1798 CD2 LEU A 225 2.109 13.111 -7.857 1.00 88.20 C +ATOM 1799 N PRO A 226 3.976 9.151 -5.729 1.00 91.36 N +ATOM 1800 CA PRO A 226 3.962 8.759 -4.318 1.00 91.59 C +ATOM 1801 C PRO A 226 5.314 8.236 -3.838 1.00 91.24 C +ATOM 1802 CB PRO A 226 2.901 7.657 -4.268 1.00 90.53 C +ATOM 1803 O PRO A 226 5.793 8.637 -2.774 1.00 90.31 O +ATOM 1804 CG PRO A 226 1.945 7.997 -5.366 1.00 88.80 C +ATOM 1805 CD PRO A 226 2.727 8.543 -6.526 1.00 88.50 C +ATOM 1806 N LEU A 227 6.036 7.506 -4.645 1.00 89.35 N +ATOM 1807 CA LEU A 227 7.349 6.968 -4.306 1.00 89.17 C +ATOM 1808 C LEU A 227 8.373 8.088 -4.157 1.00 89.90 C +ATOM 1809 CB LEU A 227 7.813 5.975 -5.374 1.00 86.86 C +ATOM 1810 O LEU A 227 9.138 8.111 -3.190 1.00 89.34 O +ATOM 1811 CG LEU A 227 9.180 5.327 -5.149 1.00 78.80 C +ATOM 1812 CD1 LEU A 227 9.185 4.541 -3.842 1.00 72.80 C +ATOM 1813 CD2 LEU A 227 9.545 4.425 -6.323 1.00 72.79 C +ATOM 1814 N ALA A 228 8.354 8.959 -5.067 1.00 90.21 N +ATOM 1815 CA ALA A 228 9.251 10.111 -5.008 1.00 90.94 C +ATOM 1816 C ALA A 228 9.005 10.933 -3.746 1.00 91.35 C +ATOM 1817 CB ALA A 228 9.080 10.983 -6.249 1.00 90.10 C +ATOM 1818 O ALA A 228 9.945 11.268 -3.023 1.00 91.28 O +ATOM 1819 N VAL A 229 7.747 11.184 -3.379 1.00 91.55 N +ATOM 1820 CA VAL A 229 7.378 11.927 -2.178 1.00 92.01 C +ATOM 1821 C VAL A 229 7.819 11.155 -0.937 1.00 91.84 C +ATOM 1822 CB VAL A 229 5.859 12.200 -2.124 1.00 91.77 C +ATOM 1823 O VAL A 229 8.432 11.723 -0.030 1.00 91.35 O +ATOM 1824 CG1 VAL A 229 5.472 12.838 -0.791 1.00 91.46 C +ATOM 1825 CG2 VAL A 229 5.436 13.092 -3.290 1.00 90.97 C +ATOM 1826 N ILE A 230 7.600 9.846 -0.868 1.00 89.40 N +ATOM 1827 CA ILE A 230 8.019 8.983 0.231 1.00 89.42 C +ATOM 1828 C ILE A 230 9.536 9.049 0.390 1.00 88.96 C +ATOM 1829 CB ILE A 230 7.566 7.522 0.007 1.00 88.96 C +ATOM 1830 O ILE A 230 10.041 9.344 1.476 1.00 87.97 O +ATOM 1831 CG1 ILE A 230 6.049 7.400 0.187 1.00 87.94 C +ATOM 1832 CG2 ILE A 230 8.309 6.575 0.954 1.00 87.44 C +ATOM 1833 CD1 ILE A 230 5.463 6.105 -0.358 1.00 86.49 C +ATOM 1834 N ILE A 231 10.329 8.871 -0.680 1.00 88.46 N +ATOM 1835 CA ILE A 231 11.788 8.891 -0.670 1.00 88.84 C +ATOM 1836 C ILE A 231 12.282 10.262 -0.213 1.00 89.15 C +ATOM 1837 CB ILE A 231 12.367 8.548 -2.060 1.00 88.15 C +ATOM 1838 O ILE A 231 13.119 10.358 0.687 1.00 88.85 O +ATOM 1839 CG1 ILE A 231 12.145 7.065 -2.381 1.00 87.23 C +ATOM 1840 CG2 ILE A 231 13.855 8.905 -2.129 1.00 86.67 C +ATOM 1841 CD1 ILE A 231 12.384 6.705 -3.841 1.00 85.23 C +ATOM 1842 N ILE A 232 11.713 11.363 -0.731 1.00 90.80 N +ATOM 1843 CA ILE A 232 12.082 12.730 -0.381 1.00 91.41 C +ATOM 1844 C ILE A 232 11.783 12.984 1.094 1.00 91.35 C +ATOM 1845 CB ILE A 232 11.339 13.759 -1.263 1.00 91.19 C +ATOM 1846 O ILE A 232 12.645 13.463 1.835 1.00 90.93 O +ATOM 1847 CG1 ILE A 232 11.886 13.728 -2.695 1.00 91.36 C +ATOM 1848 CG2 ILE A 232 11.451 15.164 -0.664 1.00 90.56 C +ATOM 1849 CD1 ILE A 232 11.002 14.440 -3.710 1.00 90.44 C +ATOM 1850 N CYS A 233 10.610 12.630 1.610 1.00 90.29 N +ATOM 1851 CA CYS A 233 10.233 12.761 3.013 1.00 90.61 C +ATOM 1852 C CYS A 233 11.225 12.036 3.914 1.00 89.96 C +ATOM 1853 CB CYS A 233 8.825 12.211 3.243 1.00 89.87 C +ATOM 1854 O CYS A 233 11.709 12.604 4.895 1.00 88.67 O +ATOM 1855 SG CYS A 233 7.514 13.279 2.609 1.00 93.16 S +ATOM 1856 N TYR A 234 11.624 10.843 3.518 1.00 88.60 N +ATOM 1857 CA TYR A 234 12.490 10.034 4.368 1.00 88.36 C +ATOM 1858 C TYR A 234 13.933 10.520 4.295 1.00 87.98 C +ATOM 1859 CB TYR A 234 12.415 8.559 3.964 1.00 87.38 C +ATOM 1860 O TYR A 234 14.654 10.495 5.295 1.00 86.63 O +ATOM 1861 CG TYR A 234 11.240 7.824 4.562 1.00 85.55 C +ATOM 1862 CD1 TYR A 234 11.116 7.675 5.942 1.00 82.57 C +ATOM 1863 CD2 TYR A 234 10.253 7.277 3.751 1.00 82.70 C +ATOM 1864 CE1 TYR A 234 10.036 6.998 6.498 1.00 81.63 C +ATOM 1865 CE2 TYR A 234 9.168 6.597 4.296 1.00 81.41 C +ATOM 1866 OH TYR A 234 7.998 5.791 6.214 1.00 77.35 O +ATOM 1867 CZ TYR A 234 9.069 6.463 5.668 1.00 79.57 C +ATOM 1868 N ILE A 235 14.467 11.081 3.164 1.00 88.60 N +ATOM 1869 CA ILE A 235 15.757 11.755 3.063 1.00 89.02 C +ATOM 1870 C ILE A 235 15.790 12.952 4.010 1.00 88.89 C +ATOM 1871 CB ILE A 235 16.046 12.208 1.615 1.00 88.73 C +ATOM 1872 O ILE A 235 16.751 13.130 4.763 1.00 88.52 O +ATOM 1873 CG1 ILE A 235 16.341 10.996 0.724 1.00 89.72 C +ATOM 1874 CG2 ILE A 235 17.207 13.207 1.583 1.00 89.23 C +ATOM 1875 CD1 ILE A 235 16.331 11.306 -0.767 1.00 88.44 C +ATOM 1876 N PHE A 236 14.711 13.737 4.119 1.00 90.85 N +ATOM 1877 CA PHE A 236 14.638 14.894 5.003 1.00 91.27 C +ATOM 1878 C PHE A 236 14.567 14.458 6.461 1.00 90.56 C +ATOM 1879 CB PHE A 236 13.425 15.762 4.655 1.00 91.13 C +ATOM 1880 O PHE A 236 15.253 15.021 7.317 1.00 89.75 O +ATOM 1881 CG PHE A 236 13.642 16.660 3.467 1.00 91.45 C +ATOM 1882 CD1 PHE A 236 14.615 17.652 3.496 1.00 90.68 C +ATOM 1883 CD2 PHE A 236 12.872 16.512 2.320 1.00 90.66 C +ATOM 1884 CE1 PHE A 236 14.818 18.484 2.398 1.00 90.40 C +ATOM 1885 CE2 PHE A 236 13.069 17.341 1.219 1.00 90.58 C +ATOM 1886 CZ PHE A 236 14.042 18.327 1.260 1.00 90.30 C +ATOM 1887 N VAL A 237 13.778 13.392 6.813 1.00 88.58 N +ATOM 1888 CA VAL A 237 13.690 12.821 8.153 1.00 88.50 C +ATOM 1889 C VAL A 237 15.063 12.312 8.589 1.00 87.70 C +ATOM 1890 CB VAL A 237 12.653 11.677 8.217 1.00 87.82 C +ATOM 1891 O VAL A 237 15.536 12.640 9.680 1.00 86.26 O +ATOM 1892 CG1 VAL A 237 12.796 10.891 9.518 1.00 86.16 C +ATOM 1893 CG2 VAL A 237 11.237 12.234 8.078 1.00 85.44 C +ATOM 1894 N TRP A 238 15.742 11.580 7.759 1.00 87.16 N +ATOM 1895 CA TRP A 238 17.078 11.053 8.016 1.00 88.32 C +ATOM 1896 C TRP A 238 18.080 12.186 8.214 1.00 87.10 C +ATOM 1897 CB TRP A 238 17.531 10.150 6.865 1.00 86.30 C +ATOM 1898 O TRP A 238 18.804 12.215 9.213 1.00 85.16 O +ATOM 1899 CG TRP A 238 18.932 9.635 7.010 1.00 80.89 C +ATOM 1900 CD1 TRP A 238 19.351 8.599 7.798 1.00 76.24 C +ATOM 1901 CD2 TRP A 238 20.099 10.137 6.352 1.00 78.34 C +ATOM 1902 CE2 TRP A 238 21.192 9.356 6.788 1.00 81.17 C +ATOM 1903 CE3 TRP A 238 20.326 11.172 5.435 1.00 80.68 C +ATOM 1904 NE1 TRP A 238 20.710 8.426 7.668 1.00 80.61 N +ATOM 1905 CH2 TRP A 238 22.690 10.597 5.439 1.00 80.64 C +ATOM 1906 CZ2 TRP A 238 22.496 9.579 6.336 1.00 80.55 C +ATOM 1907 CZ3 TRP A 238 21.623 11.392 4.987 1.00 80.66 C +ATOM 1908 N SER A 239 18.160 13.240 7.346 1.00 88.72 N +ATOM 1909 CA SER A 239 19.041 14.401 7.429 1.00 88.73 C +ATOM 1910 C SER A 239 18.804 15.185 8.715 1.00 87.99 C +ATOM 1911 CB SER A 239 18.836 15.316 6.220 1.00 87.74 C +ATOM 1912 O SER A 239 19.755 15.608 9.375 1.00 87.09 O +ATOM 1913 OG SER A 239 19.116 14.626 5.014 1.00 85.39 O +ATOM 1914 N ALA A 240 17.544 15.377 9.148 1.00 89.19 N +ATOM 1915 CA ALA A 240 17.178 16.087 10.371 1.00 88.93 C +ATOM 1916 C ALA A 240 17.669 15.340 11.607 1.00 88.13 C +ATOM 1917 CB ALA A 240 15.666 16.286 10.438 1.00 87.90 C +ATOM 1918 O ALA A 240 18.307 15.928 12.483 1.00 86.85 O +ATOM 1919 N ILE A 241 17.439 14.032 11.664 1.00 87.66 N +ATOM 1920 CA ILE A 241 17.860 13.201 12.787 1.00 87.29 C +ATOM 1921 C ILE A 241 19.385 13.144 12.843 1.00 86.92 C +ATOM 1922 CB ILE A 241 17.274 11.775 12.686 1.00 86.34 C +ATOM 1923 O ILE A 241 19.979 13.297 13.913 1.00 85.69 O +ATOM 1924 CG1 ILE A 241 15.758 11.804 12.911 1.00 82.69 C +ATOM 1925 CG2 ILE A 241 17.958 10.838 13.685 1.00 82.37 C +ATOM 1926 CD1 ILE A 241 15.052 10.506 12.542 1.00 79.74 C +ATOM 1927 N HIS A 242 20.071 13.005 11.698 1.00 87.83 N +ATOM 1928 CA HIS A 242 21.526 12.993 11.597 1.00 88.31 C +ATOM 1929 C HIS A 242 22.121 14.317 12.061 1.00 87.78 C +ATOM 1930 CB HIS A 242 21.961 12.696 10.161 1.00 86.84 C +ATOM 1931 O HIS A 242 23.088 14.334 12.826 1.00 87.02 O +ATOM 1932 CG HIS A 242 23.438 12.527 10.004 1.00 83.00 C +ATOM 1933 CD2 HIS A 242 24.361 13.299 9.383 1.00 80.11 C +ATOM 1934 ND1 HIS A 242 24.123 11.449 10.522 1.00 80.54 N +ATOM 1935 CE1 HIS A 242 25.407 11.567 10.227 1.00 79.68 C +ATOM 1936 NE2 HIS A 242 25.577 12.681 9.536 1.00 81.00 N +ATOM 1937 N SER A 243 21.499 15.446 11.761 1.00 89.40 N +ATOM 1938 CA SER A 243 21.916 16.770 12.211 1.00 89.37 C +ATOM 1939 C SER A 243 21.786 16.906 13.725 1.00 88.31 C +ATOM 1940 CB SER A 243 21.089 17.856 11.521 1.00 88.12 C +ATOM 1941 O SER A 243 22.708 17.379 14.392 1.00 87.16 O +ATOM 1942 OG SER A 243 21.547 19.146 11.888 1.00 82.28 O +ATOM 1943 N VAL A 244 20.680 16.401 14.367 1.00 87.72 N +ATOM 1944 CA VAL A 244 20.457 16.413 15.809 1.00 87.40 C +ATOM 1945 C VAL A 244 21.450 15.476 16.494 1.00 86.81 C +ATOM 1946 CB VAL A 244 19.009 16.005 16.163 1.00 86.58 C +ATOM 1947 O VAL A 244 22.063 15.840 17.501 1.00 85.69 O +ATOM 1948 CG1 VAL A 244 18.853 15.821 17.672 1.00 84.28 C +ATOM 1949 CG2 VAL A 244 18.020 17.047 15.644 1.00 83.74 C +ATOM 1950 N ALA A 245 21.738 14.317 15.889 1.00 87.42 N +ATOM 1951 CA ALA A 245 22.677 13.334 16.424 1.00 87.93 C +ATOM 1952 C ALA A 245 24.105 13.871 16.401 1.00 87.74 C +ATOM 1953 CB ALA A 245 22.589 12.030 15.635 1.00 86.52 C +ATOM 1954 O ALA A 245 24.891 13.602 17.313 1.00 87.24 O +ATOM 1955 N GLN A 246 24.508 14.714 15.451 1.00 89.88 N +ATOM 1956 CA GLN A 246 25.819 15.347 15.359 1.00 90.25 C +ATOM 1957 C GLN A 246 25.979 16.436 16.415 1.00 89.60 C +ATOM 1958 CB GLN A 246 26.036 15.934 13.963 1.00 89.03 C +ATOM 1959 O GLN A 246 27.073 16.638 16.945 1.00 89.04 O +ATOM 1960 CG GLN A 246 26.395 14.895 12.908 1.00 85.21 C +ATOM 1961 CD GLN A 246 26.631 15.506 11.540 1.00 83.09 C +ATOM 1962 NE2 GLN A 246 27.092 14.690 10.598 1.00 84.95 N +ATOM 1963 OE1 GLN A 246 26.401 16.701 11.331 1.00 85.40 O +ATOM 1964 N GLN A 247 24.840 17.101 16.809 1.00 90.81 N +ATOM 1965 CA GLN A 247 24.848 18.151 17.823 1.00 90.81 C +ATOM 1966 C GLN A 247 24.867 17.558 19.229 1.00 89.56 C +ATOM 1967 CB GLN A 247 23.635 19.067 17.657 1.00 90.18 C +ATOM 1968 O GLN A 247 25.438 18.147 20.149 1.00 88.41 O +ATOM 1969 CG GLN A 247 23.690 19.940 16.410 1.00 88.52 C +ATOM 1970 CD GLN A 247 22.407 20.716 16.180 1.00 85.97 C +ATOM 1971 NE2 GLN A 247 22.370 21.497 15.105 1.00 88.10 N +ATOM 1972 OE1 GLN A 247 21.455 20.614 16.961 1.00 87.67 O +ATOM 1973 N GLN A 248 24.294 16.314 19.380 1.00 90.15 N +ATOM 1974 CA GLN A 248 24.134 15.669 20.679 1.00 90.11 C +ATOM 1975 C GLN A 248 24.876 14.337 20.727 1.00 90.16 C +ATOM 1976 CB GLN A 248 22.652 15.456 20.994 1.00 87.72 C +ATOM 1977 O GLN A 248 24.318 13.324 21.152 1.00 87.53 O +ATOM 1978 CG GLN A 248 21.873 16.749 21.190 1.00 84.56 C +ATOM 1979 CD GLN A 248 20.433 16.510 21.605 1.00 80.21 C +ATOM 1980 NE2 GLN A 248 19.784 17.549 22.119 1.00 83.00 N +ATOM 1981 OE1 GLN A 248 19.909 15.401 21.464 1.00 82.30 O +ATOM 1982 N LYS A 249 26.131 14.314 20.365 1.00 91.75 N +ATOM 1983 CA LYS A 249 26.966 13.138 20.136 1.00 91.02 C +ATOM 1984 C LYS A 249 27.011 12.247 21.374 1.00 89.21 C +ATOM 1985 CB LYS A 249 28.382 13.554 19.738 1.00 89.34 C +ATOM 1986 O LYS A 249 27.165 11.029 21.263 1.00 86.69 O +ATOM 1987 CG LYS A 249 28.508 14.018 18.294 1.00 87.95 C +ATOM 1988 CD LYS A 249 29.956 14.319 17.928 1.00 87.32 C +ATOM 1989 CE LYS A 249 30.091 14.724 16.466 1.00 85.69 C +ATOM 1990 NZ LYS A 249 31.509 15.021 16.103 1.00 86.10 N +ATOM 1991 N ASP A 250 26.766 12.903 22.555 1.00 89.27 N +ATOM 1992 CA ASP A 250 26.946 12.212 23.828 1.00 90.74 C +ATOM 1993 C ASP A 250 25.630 11.616 24.321 1.00 89.89 C +ATOM 1994 CB ASP A 250 27.518 13.165 24.880 1.00 87.63 C +ATOM 1995 O ASP A 250 25.607 10.878 25.308 1.00 87.56 O +ATOM 1996 CG ASP A 250 28.852 13.766 24.473 1.00 85.68 C +ATOM 1997 OD1 ASP A 250 29.658 13.073 23.814 1.00 85.01 O +ATOM 1998 OD2 ASP A 250 29.102 14.941 24.816 1.00 88.11 O +ATOM 1999 N SER A 251 24.629 11.860 23.597 1.00 89.72 N +ATOM 2000 CA SER A 251 23.334 11.331 24.015 1.00 89.44 C +ATOM 2001 C SER A 251 23.048 9.985 23.357 1.00 90.32 C +ATOM 2002 CB SER A 251 22.217 12.319 23.679 1.00 87.07 C +ATOM 2003 O SER A 251 22.601 9.932 22.210 1.00 88.83 O +ATOM 2004 OG SER A 251 20.966 11.840 24.139 1.00 80.82 O +ATOM 2005 N GLU A 252 23.277 8.859 24.069 1.00 87.78 N +ATOM 2006 CA GLU A 252 22.967 7.490 23.671 1.00 88.40 C +ATOM 2007 C GLU A 252 21.517 7.363 23.213 1.00 87.64 C +ATOM 2008 CB GLU A 252 23.242 6.519 24.823 1.00 86.29 C +ATOM 2009 O GLU A 252 21.221 6.629 22.267 1.00 86.77 O +ATOM 2010 CG GLU A 252 23.168 5.053 24.422 1.00 82.24 C +ATOM 2011 CD GLU A 252 23.349 4.101 25.594 1.00 81.95 C +ATOM 2012 OE1 GLU A 252 23.698 4.564 26.704 1.00 82.82 O +ATOM 2013 OE2 GLU A 252 23.141 2.883 25.401 1.00 83.36 O +ATOM 2014 N SER A 253 20.607 8.054 23.802 1.00 84.58 N +ATOM 2015 CA SER A 253 19.186 8.070 23.471 1.00 84.54 C +ATOM 2016 C SER A 253 18.952 8.597 22.059 1.00 85.15 C +ATOM 2017 CB SER A 253 18.411 8.922 24.477 1.00 82.79 C +ATOM 2018 O SER A 253 18.177 8.017 21.296 1.00 84.66 O +ATOM 2019 OG SER A 253 18.852 10.269 24.440 1.00 77.58 O +ATOM 2020 N THR A 254 19.668 9.646 21.645 1.00 83.78 N +ATOM 2021 CA THR A 254 19.555 10.243 20.319 1.00 84.37 C +ATOM 2022 C THR A 254 20.106 9.301 19.253 1.00 85.11 C +ATOM 2023 CB THR A 254 20.296 11.591 20.248 1.00 82.09 C +ATOM 2024 O THR A 254 19.448 9.045 18.242 1.00 84.94 O +ATOM 2025 CG2 THR A 254 20.120 12.245 18.882 1.00 75.03 C +ATOM 2026 OG1 THR A 254 19.777 12.468 21.256 1.00 77.55 O +ATOM 2027 N GLN A 255 21.313 8.687 19.558 1.00 85.24 N +ATOM 2028 CA GLN A 255 21.896 7.718 18.637 1.00 86.39 C +ATOM 2029 C GLN A 255 20.977 6.514 18.451 1.00 85.61 C +ATOM 2030 CB GLN A 255 23.267 7.259 19.136 1.00 85.09 C +ATOM 2031 O GLN A 255 20.826 6.008 17.337 1.00 85.50 O +ATOM 2032 CG GLN A 255 24.325 8.354 19.121 1.00 83.86 C +ATOM 2033 CD GLN A 255 25.697 7.851 19.529 1.00 83.44 C +ATOM 2034 NE2 GLN A 255 26.619 8.776 19.775 1.00 86.76 N +ATOM 2035 OE1 GLN A 255 25.926 6.641 19.622 1.00 85.62 O +ATOM 2036 N LYS A 256 20.335 6.086 19.491 1.00 86.83 N +ATOM 2037 CA LYS A 256 19.371 4.991 19.430 1.00 86.66 C +ATOM 2038 C LYS A 256 18.141 5.387 18.618 1.00 86.21 C +ATOM 2039 CB LYS A 256 18.954 4.564 20.839 1.00 85.37 C +ATOM 2040 O LYS A 256 17.691 4.630 17.755 1.00 85.06 O +ATOM 2041 CG LYS A 256 18.006 3.374 20.869 1.00 82.63 C +ATOM 2042 CD LYS A 256 17.692 2.946 22.297 1.00 82.51 C +ATOM 2043 CE LYS A 256 16.742 1.757 22.329 1.00 79.17 C +ATOM 2044 NZ LYS A 256 16.445 1.323 23.727 1.00 79.15 N +ATOM 2045 N ALA A 257 17.631 6.530 18.797 1.00 81.78 N +ATOM 2046 CA ALA A 257 16.496 7.035 18.027 1.00 81.63 C +ATOM 2047 C ALA A 257 16.849 7.158 16.548 1.00 82.48 C +ATOM 2048 CB ALA A 257 16.038 8.383 18.576 1.00 80.13 C +ATOM 2049 O ALA A 257 16.088 6.717 15.683 1.00 81.99 O +ATOM 2050 N GLU A 258 18.054 7.638 16.236 1.00 82.08 N +ATOM 2051 CA GLU A 258 18.559 7.724 14.869 1.00 82.81 C +ATOM 2052 C GLU A 258 18.614 6.347 14.214 1.00 83.10 C +ATOM 2053 CB GLU A 258 19.946 8.372 14.847 1.00 81.59 C +ATOM 2054 O GLU A 258 18.066 6.147 13.128 1.00 82.76 O +ATOM 2055 CG GLU A 258 20.477 8.641 13.446 1.00 81.01 C +ATOM 2056 CD GLU A 258 21.904 9.165 13.437 1.00 79.71 C +ATOM 2057 OE1 GLU A 258 22.476 9.389 14.528 1.00 81.65 O +ATOM 2058 OE2 GLU A 258 22.455 9.354 12.329 1.00 82.18 O +ATOM 2059 N ARG A 259 19.125 5.390 14.864 1.00 87.09 N +ATOM 2060 CA ARG A 259 19.253 4.030 14.351 1.00 87.31 C +ATOM 2061 C ARG A 259 17.884 3.401 14.117 1.00 86.51 C +ATOM 2062 CB ARG A 259 20.069 3.166 15.314 1.00 85.92 C +ATOM 2063 O ARG A 259 17.672 2.716 13.115 1.00 85.59 O +ATOM 2064 CG ARG A 259 21.562 3.453 15.286 1.00 83.72 C +ATOM 2065 CD ARG A 259 22.313 2.637 16.329 1.00 83.74 C +ATOM 2066 NE ARG A 259 23.696 3.083 16.469 1.00 81.45 N +ATOM 2067 NH1 ARG A 259 24.235 1.568 18.127 1.00 79.64 N +ATOM 2068 NH2 ARG A 259 25.811 3.047 17.363 1.00 77.83 N +ATOM 2069 CZ ARG A 259 24.578 2.565 17.319 1.00 79.20 C +ATOM 2070 N GLU A 260 16.938 3.654 14.996 1.00 85.57 N +ATOM 2071 CA GLU A 260 15.593 3.103 14.870 1.00 85.10 C +ATOM 2072 C GLU A 260 14.851 3.722 13.688 1.00 85.80 C +ATOM 2073 CB GLU A 260 14.799 3.320 16.161 1.00 83.00 C +ATOM 2074 O GLU A 260 14.261 3.007 12.876 1.00 85.02 O +ATOM 2075 CG GLU A 260 15.179 2.366 17.284 1.00 76.22 C +ATOM 2076 CD GLU A 260 14.288 2.497 18.509 1.00 74.42 C +ATOM 2077 OE1 GLU A 260 13.501 3.467 18.587 1.00 71.54 O +ATOM 2078 OE2 GLU A 260 14.379 1.623 19.400 1.00 69.60 O +ATOM 2079 N VAL A 261 14.973 4.956 13.468 1.00 80.69 N +ATOM 2080 CA VAL A 261 14.320 5.654 12.365 1.00 80.64 C +ATOM 2081 C VAL A 261 15.009 5.301 11.049 1.00 81.69 C +ATOM 2082 CB VAL A 261 14.328 7.184 12.578 1.00 79.20 C +ATOM 2083 O VAL A 261 14.346 4.966 10.065 1.00 81.42 O +ATOM 2084 CG1 VAL A 261 13.812 7.905 11.335 1.00 76.36 C +ATOM 2085 CG2 VAL A 261 13.492 7.556 13.801 1.00 76.85 C +ATOM 2086 N THR A 262 16.341 5.345 11.026 1.00 82.98 N +ATOM 2087 CA THR A 262 17.092 4.920 9.850 1.00 83.52 C +ATOM 2088 C THR A 262 16.697 3.504 9.439 1.00 84.03 C +ATOM 2089 CB THR A 262 18.609 4.979 10.104 1.00 82.64 C +ATOM 2090 O THR A 262 16.379 3.256 8.274 1.00 84.06 O +ATOM 2091 CG2 THR A 262 19.391 4.526 8.875 1.00 84.29 C +ATOM 2092 OG1 THR A 262 18.982 6.325 10.423 1.00 85.46 O +ATOM 2093 N ARG A 263 16.707 2.657 10.377 1.00 87.10 N +ATOM 2094 CA ARG A 263 16.275 1.284 10.137 1.00 87.06 C +ATOM 2095 C ARG A 263 14.849 1.245 9.599 1.00 86.66 C +ATOM 2096 CB ARG A 263 16.373 0.457 11.421 1.00 86.01 C +ATOM 2097 O ARG A 263 14.555 0.505 8.657 1.00 85.75 O +ATOM 2098 CG ARG A 263 16.020 -1.011 11.236 1.00 84.15 C +ATOM 2099 CD ARG A 263 16.140 -1.788 12.540 1.00 84.37 C +ATOM 2100 NE ARG A 263 15.719 -3.177 12.380 1.00 81.23 N +ATOM 2101 NH1 ARG A 263 16.023 -3.741 14.600 1.00 80.02 N +ATOM 2102 NH2 ARG A 263 15.275 -5.310 13.106 1.00 78.92 N +ATOM 2103 CZ ARG A 263 15.673 -4.073 13.362 1.00 79.38 C +ATOM 2104 N MET A 264 13.950 2.037 10.097 1.00 83.42 N +ATOM 2105 CA MET A 264 12.564 2.137 9.647 1.00 82.85 C +ATOM 2106 C MET A 264 12.495 2.602 8.196 1.00 83.49 C +ATOM 2107 CB MET A 264 11.776 3.095 10.542 1.00 80.72 C +ATOM 2108 O MET A 264 11.813 1.988 7.375 1.00 82.19 O +ATOM 2109 CG MET A 264 10.300 3.186 10.192 1.00 73.94 C +ATOM 2110 SD MET A 264 9.397 4.380 11.253 1.00 69.34 S +ATOM 2111 CE MET A 264 10.069 5.942 10.620 1.00 63.81 C +ATOM 2112 N VAL A 265 13.187 3.585 7.854 1.00 81.15 N +ATOM 2113 CA VAL A 265 13.237 4.142 6.507 1.00 81.04 C +ATOM 2114 C VAL A 265 13.746 3.085 5.529 1.00 81.98 C +ATOM 2115 CB VAL A 265 14.133 5.399 6.445 1.00 79.60 C +ATOM 2116 O VAL A 265 13.108 2.816 4.508 1.00 81.46 O +ATOM 2117 CG1 VAL A 265 14.343 5.843 4.999 1.00 77.25 C +ATOM 2118 CG2 VAL A 265 13.522 6.530 7.271 1.00 77.28 C +ATOM 2119 N ILE A 266 14.831 2.457 5.866 1.00 85.94 N +ATOM 2120 CA ILE A 266 15.439 1.446 5.008 1.00 86.17 C +ATOM 2121 C ILE A 266 14.459 0.294 4.794 1.00 86.35 C +ATOM 2122 CB ILE A 266 16.763 0.920 5.605 1.00 85.34 C +ATOM 2123 O ILE A 266 14.204 -0.109 3.657 1.00 85.92 O +ATOM 2124 CG1 ILE A 266 17.847 2.001 5.535 1.00 85.82 C +ATOM 2125 CG2 ILE A 266 17.212 -0.354 4.882 1.00 85.31 C +ATOM 2126 CD1 ILE A 266 19.083 1.694 6.369 1.00 83.31 C +ATOM 2127 N VAL A 267 13.780 -0.174 5.838 1.00 87.42 N +ATOM 2128 CA VAL A 267 12.845 -1.291 5.750 1.00 87.06 C +ATOM 2129 C VAL A 267 11.642 -0.892 4.899 1.00 86.72 C +ATOM 2130 CB VAL A 267 12.378 -1.751 7.150 1.00 86.04 C +ATOM 2131 O VAL A 267 11.202 -1.657 4.038 1.00 85.63 O +ATOM 2132 CG1 VAL A 267 11.200 -2.716 7.035 1.00 84.29 C +ATOM 2133 CG2 VAL A 267 13.533 -2.401 7.910 1.00 84.49 C +ATOM 2134 N MET A 268 11.120 0.298 4.981 1.00 83.18 N +ATOM 2135 CA MET A 268 9.979 0.785 4.212 1.00 82.68 C +ATOM 2136 C MET A 268 10.340 0.936 2.738 1.00 83.06 C +ATOM 2137 CB MET A 268 9.485 2.122 4.769 1.00 80.63 C +ATOM 2138 O MET A 268 9.611 0.463 1.864 1.00 81.65 O +ATOM 2139 CG MET A 268 8.718 1.996 6.074 1.00 74.66 C +ATOM 2140 SD MET A 268 7.996 3.591 6.622 1.00 71.54 S +ATOM 2141 CE MET A 268 6.963 3.019 8.000 1.00 64.29 C +ATOM 2142 N VAL A 269 11.467 1.560 2.452 1.00 82.49 N +ATOM 2143 CA VAL A 269 11.920 1.762 1.079 1.00 82.45 C +ATOM 2144 C VAL A 269 12.194 0.412 0.421 1.00 83.08 C +ATOM 2145 CB VAL A 269 13.184 2.649 1.023 1.00 81.56 C +ATOM 2146 O VAL A 269 11.731 0.151 -0.691 1.00 83.01 O +ATOM 2147 CG1 VAL A 269 13.782 2.648 -0.383 1.00 81.87 C +ATOM 2148 CG2 VAL A 269 12.857 4.073 1.467 1.00 82.32 C +ATOM 2149 N VAL A 270 12.853 -0.507 1.144 1.00 87.42 N +ATOM 2150 CA VAL A 270 13.158 -1.842 0.639 1.00 87.64 C +ATOM 2151 C VAL A 270 11.863 -2.618 0.413 1.00 87.31 C +ATOM 2152 CB VAL A 270 14.082 -2.617 1.606 1.00 87.00 C +ATOM 2153 O VAL A 270 11.661 -3.203 -0.654 1.00 86.58 O +ATOM 2154 CG1 VAL A 270 14.151 -4.093 1.220 1.00 87.30 C +ATOM 2155 CG2 VAL A 270 15.478 -1.999 1.620 1.00 86.72 C +ATOM 2156 N ALA A 271 10.924 -2.604 1.354 1.00 87.38 N +ATOM 2157 CA ALA A 271 9.626 -3.262 1.221 1.00 86.81 C +ATOM 2158 C ALA A 271 8.848 -2.704 0.033 1.00 86.73 C +ATOM 2159 CB ALA A 271 8.816 -3.104 2.505 1.00 85.44 C +ATOM 2160 O ALA A 271 8.313 -3.464 -0.778 1.00 85.51 O +ATOM 2161 N PHE A 272 8.880 -1.480 -0.146 1.00 85.44 N +ATOM 2162 CA PHE A 272 8.222 -0.820 -1.268 1.00 85.05 C +ATOM 2163 C PHE A 272 8.864 -1.227 -2.588 1.00 85.16 C +ATOM 2164 CB PHE A 272 8.277 0.703 -1.105 1.00 82.92 C +ATOM 2165 O PHE A 272 8.167 -1.609 -3.531 1.00 83.87 O +ATOM 2166 CG PHE A 272 7.467 1.453 -2.127 1.00 76.56 C +ATOM 2167 CD1 PHE A 272 6.152 1.814 -1.863 1.00 71.35 C +ATOM 2168 CD2 PHE A 272 8.022 1.796 -3.353 1.00 71.46 C +ATOM 2169 CE1 PHE A 272 5.400 2.509 -2.808 1.00 69.29 C +ATOM 2170 CE2 PHE A 272 7.277 2.490 -4.302 1.00 67.52 C +ATOM 2171 CZ PHE A 272 5.965 2.844 -4.028 1.00 68.33 C +ATOM 2172 N VAL A 273 10.173 -1.115 -2.747 1.00 85.90 N +ATOM 2173 CA VAL A 273 10.901 -1.462 -3.964 1.00 85.76 C +ATOM 2174 C VAL A 273 10.673 -2.933 -4.301 1.00 85.57 C +ATOM 2175 CB VAL A 273 12.413 -1.175 -3.821 1.00 85.06 C +ATOM 2176 O VAL A 273 10.461 -3.285 -5.464 1.00 85.03 O +ATOM 2177 CG1 VAL A 273 13.186 -1.758 -5.002 1.00 85.16 C +ATOM 2178 CG2 VAL A 273 12.662 0.328 -3.705 1.00 85.24 C +ATOM 2179 N ILE A 274 10.627 -3.819 -3.309 1.00 88.27 N +ATOM 2180 CA ILE A 274 10.404 -5.247 -3.510 1.00 87.85 C +ATOM 2181 C ILE A 274 8.965 -5.485 -3.962 1.00 86.73 C +ATOM 2182 CB ILE A 274 10.703 -6.052 -2.226 1.00 87.56 C +ATOM 2183 O ILE A 274 8.716 -6.286 -4.867 1.00 85.21 O +ATOM 2184 CG1 ILE A 274 12.213 -6.095 -1.962 1.00 88.49 C +ATOM 2185 CG2 ILE A 274 10.125 -7.467 -2.329 1.00 88.06 C +ATOM 2186 CD1 ILE A 274 12.588 -6.685 -0.610 1.00 86.35 C +ATOM 2187 N CYS A 275 7.969 -4.763 -3.469 1.00 87.82 N +ATOM 2188 CA CYS A 275 6.554 -5.021 -3.715 1.00 87.23 C +ATOM 2189 C CYS A 275 6.090 -4.339 -4.997 1.00 86.60 C +ATOM 2190 CB CYS A 275 5.709 -4.540 -2.536 1.00 85.50 C +ATOM 2191 O CYS A 275 5.420 -4.957 -5.826 1.00 84.47 O +ATOM 2192 SG CYS A 275 5.981 -5.477 -1.016 1.00 87.97 S +ATOM 2193 N TRP A 276 6.557 -3.109 -5.206 1.00 86.25 N +ATOM 2194 CA TRP A 276 5.997 -2.271 -6.262 1.00 86.89 C +ATOM 2195 C TRP A 276 6.994 -2.094 -7.402 1.00 85.91 C +ATOM 2196 CB TRP A 276 5.592 -0.903 -5.705 1.00 84.80 C +ATOM 2197 O TRP A 276 6.605 -1.797 -8.534 1.00 83.20 O +ATOM 2198 CG TRP A 276 4.345 -0.930 -4.873 1.00 79.89 C +ATOM 2199 CD1 TRP A 276 4.265 -0.980 -3.509 1.00 75.16 C +ATOM 2200 CD2 TRP A 276 2.997 -0.913 -5.354 1.00 76.47 C +ATOM 2201 CE2 TRP A 276 2.150 -0.954 -4.224 1.00 76.99 C +ATOM 2202 CE3 TRP A 276 2.423 -0.866 -6.631 1.00 75.57 C +ATOM 2203 NE1 TRP A 276 2.947 -0.995 -3.112 1.00 76.52 N +ATOM 2204 CH2 TRP A 276 0.222 -0.903 -5.596 1.00 75.68 C +ATOM 2205 CZ2 TRP A 276 0.757 -0.949 -4.335 1.00 76.20 C +ATOM 2206 CZ3 TRP A 276 1.037 -0.861 -6.739 1.00 75.80 C +ATOM 2207 N GLY A 277 8.331 -2.293 -7.154 1.00 86.56 N +ATOM 2208 CA GLY A 277 9.377 -2.173 -8.157 1.00 86.67 C +ATOM 2209 C GLY A 277 9.163 -3.080 -9.354 1.00 86.89 C +ATOM 2210 O GLY A 277 9.139 -2.615 -10.495 1.00 86.25 O +ATOM 2211 N PRO A 278 8.877 -4.416 -9.104 1.00 87.42 N +ATOM 2212 CA PRO A 278 8.592 -5.307 -10.232 1.00 87.53 C +ATOM 2213 C PRO A 278 7.353 -4.885 -11.017 1.00 87.18 C +ATOM 2214 CB PRO A 278 8.379 -6.667 -9.562 1.00 86.90 C +ATOM 2215 O PRO A 278 7.367 -4.892 -12.251 1.00 86.03 O +ATOM 2216 CG PRO A 278 9.202 -6.612 -8.316 1.00 87.15 C +ATOM 2217 CD PRO A 278 9.098 -5.231 -7.736 1.00 88.15 C +ATOM 2218 N TYR A 279 6.277 -4.489 -10.338 1.00 84.67 N +ATOM 2219 CA TYR A 279 5.046 -4.009 -10.956 1.00 84.51 C +ATOM 2220 C TYR A 279 5.302 -2.747 -11.772 1.00 84.43 C +ATOM 2221 CB TYR A 279 3.981 -3.734 -9.891 1.00 83.51 C +ATOM 2222 O TYR A 279 4.943 -2.678 -12.950 1.00 83.24 O +ATOM 2223 CG TYR A 279 2.648 -3.313 -10.460 1.00 81.48 C +ATOM 2224 CD1 TYR A 279 1.736 -4.259 -10.924 1.00 78.65 C +ATOM 2225 CD2 TYR A 279 2.297 -1.969 -10.536 1.00 78.89 C +ATOM 2226 CE1 TYR A 279 0.507 -3.875 -11.451 1.00 78.42 C +ATOM 2227 CE2 TYR A 279 1.072 -1.574 -11.061 1.00 78.40 C +ATOM 2228 OH TYR A 279 -1.031 -2.147 -12.036 1.00 73.25 O +ATOM 2229 CZ TYR A 279 0.184 -2.533 -11.515 1.00 75.75 C +ATOM 2230 N ALA A 280 5.980 -1.737 -11.238 1.00 84.18 N +ATOM 2231 CA ALA A 280 6.307 -0.484 -11.914 1.00 84.11 C +ATOM 2232 C ALA A 280 7.216 -0.729 -13.114 1.00 84.30 C +ATOM 2233 CB ALA A 280 6.967 0.489 -10.940 1.00 83.11 C +ATOM 2234 O ALA A 280 6.989 -0.181 -14.195 1.00 83.45 O +ATOM 2235 N THR A 281 8.276 -1.599 -12.958 1.00 85.94 N +ATOM 2236 CA THR A 281 9.178 -1.974 -14.040 1.00 86.12 C +ATOM 2237 C THR A 281 8.413 -2.659 -15.169 1.00 85.59 C +ATOM 2238 CB THR A 281 10.298 -2.904 -13.537 1.00 85.28 C +ATOM 2239 O THR A 281 8.544 -2.279 -16.335 1.00 84.54 O +ATOM 2240 CG2 THR A 281 11.274 -3.246 -14.658 1.00 84.10 C +ATOM 2241 OG1 THR A 281 11.011 -2.254 -12.478 1.00 86.46 O +ATOM 2242 N PHE A 282 7.590 -3.566 -14.796 1.00 85.36 N +ATOM 2243 CA PHE A 282 6.804 -4.305 -15.777 1.00 84.93 C +ATOM 2244 C PHE A 282 5.812 -3.385 -16.479 1.00 84.15 C +ATOM 2245 CB PHE A 282 6.061 -5.466 -15.109 1.00 83.74 C +ATOM 2246 O PHE A 282 5.708 -3.397 -17.708 1.00 82.25 O +ATOM 2247 CG PHE A 282 5.243 -6.293 -16.063 1.00 80.96 C +ATOM 2248 CD1 PHE A 282 5.819 -7.350 -16.758 1.00 77.62 C +ATOM 2249 CD2 PHE A 282 3.898 -6.014 -16.266 1.00 77.99 C +ATOM 2250 CE1 PHE A 282 5.064 -8.117 -17.642 1.00 77.20 C +ATOM 2251 CE2 PHE A 282 3.138 -6.776 -17.148 1.00 77.61 C +ATOM 2252 CZ PHE A 282 3.723 -7.827 -17.836 1.00 74.13 C +ATOM 2253 N ALA A 283 5.065 -2.561 -15.772 1.00 81.85 N +ATOM 2254 CA ALA A 283 4.110 -1.605 -16.328 1.00 81.44 C +ATOM 2255 C ALA A 283 4.807 -0.607 -17.249 1.00 81.57 C +ATOM 2256 CB ALA A 283 3.379 -0.870 -15.207 1.00 80.42 C +ATOM 2257 O ALA A 283 4.342 -0.351 -18.362 1.00 80.34 O +ATOM 2258 N THR A 284 5.975 -0.060 -16.917 1.00 82.90 N +ATOM 2259 CA THR A 284 6.784 0.846 -17.724 1.00 83.03 C +ATOM 2260 C THR A 284 7.259 0.156 -19.000 1.00 82.85 C +ATOM 2261 CB THR A 284 8.000 1.364 -16.934 1.00 82.15 C +ATOM 2262 O THR A 284 7.100 0.693 -20.098 1.00 81.92 O +ATOM 2263 CG2 THR A 284 8.810 2.358 -17.760 1.00 81.57 C +ATOM 2264 OG1 THR A 284 7.545 2.010 -15.739 1.00 83.77 O +ATOM 2265 N PHE A 285 7.783 -1.033 -18.836 1.00 85.86 N +ATOM 2266 CA PHE A 285 8.271 -1.782 -19.988 1.00 85.95 C +ATOM 2267 C PHE A 285 7.131 -2.102 -20.948 1.00 84.77 C +ATOM 2268 CB PHE A 285 8.958 -3.076 -19.538 1.00 84.72 C +ATOM 2269 O PHE A 285 7.255 -1.897 -22.157 1.00 82.96 O +ATOM 2270 CG PHE A 285 9.622 -3.831 -20.657 1.00 82.54 C +ATOM 2271 CD1 PHE A 285 10.967 -3.634 -20.945 1.00 79.93 C +ATOM 2272 CD2 PHE A 285 8.901 -4.739 -21.422 1.00 80.57 C +ATOM 2273 CE1 PHE A 285 11.585 -4.332 -21.980 1.00 80.15 C +ATOM 2274 CE2 PHE A 285 9.512 -5.440 -22.458 1.00 81.01 C +ATOM 2275 CZ PHE A 285 10.853 -5.234 -22.736 1.00 77.19 C +ATOM 2276 N SER A 286 5.926 -2.517 -20.477 1.00 81.67 N +ATOM 2277 CA SER A 286 4.741 -2.803 -21.279 1.00 80.83 C +ATOM 2278 C SER A 286 4.230 -1.546 -21.977 1.00 80.41 C +ATOM 2279 CB SER A 286 3.634 -3.398 -20.408 1.00 79.82 C +ATOM 2280 O SER A 286 3.884 -1.584 -23.159 1.00 78.43 O +ATOM 2281 OG SER A 286 4.053 -4.622 -19.830 1.00 76.26 O +ATOM 2282 N ALA A 287 4.312 -0.381 -21.318 1.00 79.05 N +ATOM 2283 CA ALA A 287 3.908 0.909 -21.871 1.00 78.55 C +ATOM 2284 C ALA A 287 4.879 1.370 -22.954 1.00 78.87 C +ATOM 2285 CB ALA A 287 3.814 1.957 -20.764 1.00 77.50 C +ATOM 2286 O ALA A 287 4.466 1.944 -23.964 1.00 77.84 O +ATOM 2287 N CYS A 288 6.190 1.025 -22.875 1.00 81.32 N +ATOM 2288 CA CYS A 288 7.244 1.440 -23.795 1.00 81.60 C +ATOM 2289 C CYS A 288 7.356 0.472 -24.967 1.00 81.13 C +ATOM 2290 CB CYS A 288 8.585 1.532 -23.068 1.00 79.96 C +ATOM 2291 O CYS A 288 7.797 0.854 -26.053 1.00 79.65 O +ATOM 2292 SG CYS A 288 8.671 2.881 -21.869 1.00 87.39 S +ATOM 2293 N ASN A 289 6.940 -0.735 -24.814 1.00 82.55 N +ATOM 2294 CA ASN A 289 7.069 -1.779 -25.825 1.00 82.19 C +ATOM 2295 C ASN A 289 5.723 -2.430 -26.133 1.00 81.53 C +ATOM 2296 CB ASN A 289 8.081 -2.836 -25.379 1.00 81.03 C +ATOM 2297 O ASN A 289 5.531 -3.619 -25.873 1.00 79.37 O +ATOM 2298 CG ASN A 289 9.464 -2.260 -25.148 1.00 81.73 C +ATOM 2299 ND2 ASN A 289 9.731 -1.834 -23.919 1.00 83.19 N +ATOM 2300 OD1 ASN A 289 10.285 -2.197 -26.066 1.00 82.03 O +ATOM 2301 N PRO A 290 4.847 -1.527 -26.662 1.00 77.56 N +ATOM 2302 CA PRO A 290 3.575 -2.114 -27.091 1.00 76.38 C +ATOM 2303 C PRO A 290 3.756 -3.211 -28.139 1.00 75.84 C +ATOM 2304 CB PRO A 290 2.815 -0.921 -27.676 1.00 74.47 C +ATOM 2305 O PRO A 290 4.596 -3.083 -29.033 1.00 72.04 O +ATOM 2306 CG PRO A 290 3.879 -0.009 -28.198 1.00 73.29 C +ATOM 2307 CD PRO A 290 5.091 -0.140 -27.321 1.00 73.12 C +ATOM 2308 N GLY A 291 3.377 -4.333 -28.065 1.00 74.21 N +ATOM 2309 CA GLY A 291 3.436 -5.482 -28.954 1.00 73.85 C +ATOM 2310 C GLY A 291 4.309 -6.603 -28.423 1.00 74.34 C +ATOM 2311 O GLY A 291 4.325 -7.703 -28.981 1.00 73.33 O +ATOM 2312 N TYR A 292 5.108 -6.235 -27.418 1.00 78.77 N +ATOM 2313 CA TYR A 292 5.843 -7.319 -26.777 1.00 78.26 C +ATOM 2314 C TYR A 292 4.891 -8.306 -26.113 1.00 77.73 C +ATOM 2315 CB TYR A 292 6.826 -6.764 -25.742 1.00 76.75 C +ATOM 2316 O TYR A 292 4.260 -7.986 -25.102 1.00 75.34 O +ATOM 2317 CG TYR A 292 7.790 -7.794 -25.206 1.00 76.94 C +ATOM 2318 CD1 TYR A 292 7.487 -8.533 -24.064 1.00 75.69 C +ATOM 2319 CD2 TYR A 292 9.005 -8.031 -25.839 1.00 76.18 C +ATOM 2320 CE1 TYR A 292 8.373 -9.482 -23.566 1.00 75.27 C +ATOM 2321 CE2 TYR A 292 9.899 -8.978 -25.349 1.00 75.54 C +ATOM 2322 OH TYR A 292 10.455 -10.636 -23.725 1.00 73.02 O +ATOM 2323 CZ TYR A 292 9.574 -9.698 -24.214 1.00 70.29 C +ATOM 2324 N ALA A 293 4.678 -9.432 -26.697 1.00 75.22 N +ATOM 2325 CA ALA A 293 3.849 -10.502 -26.147 1.00 74.63 C +ATOM 2326 C ALA A 293 4.497 -11.117 -24.910 1.00 75.60 C +ATOM 2327 CB ALA A 293 3.597 -11.576 -27.202 1.00 72.45 C +ATOM 2328 O ALA A 293 5.298 -12.048 -25.020 1.00 73.60 O +ATOM 2329 N TRP A 294 4.114 -10.570 -23.826 1.00 79.67 N +ATOM 2330 CA TRP A 294 4.561 -11.148 -22.564 1.00 80.77 C +ATOM 2331 C TRP A 294 4.000 -12.554 -22.380 1.00 79.95 C +ATOM 2332 CB TRP A 294 4.144 -10.261 -21.388 1.00 77.59 C +ATOM 2333 O TRP A 294 2.817 -12.795 -22.630 1.00 76.36 O +ATOM 2334 CG TRP A 294 4.773 -8.899 -21.399 1.00 73.40 C +ATOM 2335 CD1 TRP A 294 4.217 -7.740 -21.864 1.00 65.98 C +ATOM 2336 CD2 TRP A 294 6.080 -8.558 -20.929 1.00 71.61 C +ATOM 2337 CE2 TRP A 294 6.251 -7.172 -21.138 1.00 75.34 C +ATOM 2338 CE3 TRP A 294 7.124 -9.291 -20.348 1.00 80.09 C +ATOM 2339 NE1 TRP A 294 5.101 -6.697 -21.709 1.00 78.94 N +ATOM 2340 CH2 TRP A 294 8.432 -7.243 -20.221 1.00 76.49 C +ATOM 2341 CZ2 TRP A 294 7.426 -6.503 -20.787 1.00 77.37 C +ATOM 2342 CZ3 TRP A 294 8.293 -8.623 -20.000 1.00 77.53 C +ATOM 2343 N HIS A 295 4.906 -13.444 -21.943 1.00 78.99 N +ATOM 2344 CA HIS A 295 4.405 -14.703 -21.402 1.00 78.96 C +ATOM 2345 C HIS A 295 3.428 -14.459 -20.257 1.00 79.38 C +ATOM 2346 CB HIS A 295 5.563 -15.581 -20.926 1.00 77.76 C +ATOM 2347 O HIS A 295 3.689 -13.637 -19.376 1.00 78.31 O +ATOM 2348 CG HIS A 295 5.153 -16.974 -20.570 1.00 76.51 C +ATOM 2349 CD2 HIS A 295 5.067 -18.096 -21.323 1.00 75.54 C +ATOM 2350 ND1 HIS A 295 4.765 -17.333 -19.297 1.00 76.44 N +ATOM 2351 CE1 HIS A 295 4.459 -18.620 -19.283 1.00 73.03 C +ATOM 2352 NE2 HIS A 295 4.634 -19.106 -20.500 1.00 73.05 N +ATOM 2353 N PRO A 296 2.262 -15.088 -20.091 1.00 75.20 N +ATOM 2354 CA PRO A 296 1.209 -14.790 -19.117 1.00 74.77 C +ATOM 2355 C PRO A 296 1.704 -14.861 -17.674 1.00 76.00 C +ATOM 2356 CB PRO A 296 0.162 -15.873 -19.388 1.00 73.74 C +ATOM 2357 O PRO A 296 1.325 -14.028 -16.846 1.00 75.48 O +ATOM 2358 CG PRO A 296 0.280 -16.162 -20.850 1.00 71.80 C +ATOM 2359 CD PRO A 296 1.731 -16.101 -21.232 1.00 71.17 C +ATOM 2360 N LEU A 297 2.662 -15.743 -17.452 1.00 78.07 N +ATOM 2361 CA LEU A 297 3.264 -15.866 -16.128 1.00 78.06 C +ATOM 2362 C LEU A 297 4.072 -14.620 -15.781 1.00 78.88 C +ATOM 2363 CB LEU A 297 4.159 -17.105 -16.059 1.00 76.71 C +ATOM 2364 O LEU A 297 3.939 -14.075 -14.683 1.00 78.51 O +ATOM 2365 CG LEU A 297 4.835 -17.380 -14.714 1.00 73.43 C +ATOM 2366 CD1 LEU A 297 3.789 -17.697 -13.651 1.00 70.41 C +ATOM 2367 CD2 LEU A 297 5.838 -18.521 -14.843 1.00 70.61 C +ATOM 2368 N THR A 298 4.843 -14.087 -16.702 1.00 80.80 N +ATOM 2369 CA THR A 298 5.656 -12.892 -16.510 1.00 80.85 C +ATOM 2370 C THR A 298 4.772 -11.664 -16.306 1.00 81.05 C +ATOM 2371 CB THR A 298 6.597 -12.657 -17.705 1.00 79.25 C +ATOM 2372 O THR A 298 5.096 -10.785 -15.505 1.00 79.96 O +ATOM 2373 CG2 THR A 298 7.618 -11.567 -17.396 1.00 75.17 C +ATOM 2374 OG1 THR A 298 7.291 -13.874 -18.006 1.00 78.25 O +ATOM 2375 N ALA A 299 3.579 -11.696 -16.933 1.00 79.08 N +ATOM 2376 CA ALA A 299 2.624 -10.596 -16.832 1.00 78.64 C +ATOM 2377 C ALA A 299 1.891 -10.627 -15.493 1.00 79.30 C +ATOM 2378 CB ALA A 299 1.623 -10.651 -17.983 1.00 77.37 C +ATOM 2379 O ALA A 299 1.546 -9.578 -14.943 1.00 77.97 O +ATOM 2380 N SER A 300 1.764 -11.813 -14.897 1.00 79.63 N +ATOM 2381 CA SER A 300 1.021 -11.981 -13.652 1.00 79.57 C +ATOM 2382 C SER A 300 1.928 -11.803 -12.439 1.00 80.59 C +ATOM 2383 CB SER A 300 0.357 -13.357 -13.605 1.00 78.21 C +ATOM 2384 O SER A 300 1.482 -11.342 -11.386 1.00 79.82 O +ATOM 2385 OG SER A 300 -0.497 -13.542 -14.721 1.00 73.15 O +ATOM 2386 N LEU A 301 3.228 -12.116 -12.535 1.00 81.87 N +ATOM 2387 CA LEU A 301 4.170 -12.162 -11.421 1.00 82.48 C +ATOM 2388 C LEU A 301 4.248 -10.811 -10.719 1.00 83.38 C +ATOM 2389 CB LEU A 301 5.560 -12.577 -11.912 1.00 80.60 C +ATOM 2390 O LEU A 301 4.145 -10.737 -9.493 1.00 83.00 O +ATOM 2391 CG LEU A 301 6.634 -12.752 -10.837 1.00 76.64 C +ATOM 2392 CD1 LEU A 301 6.257 -13.888 -9.892 1.00 73.14 C +ATOM 2393 CD2 LEU A 301 7.994 -13.010 -11.476 1.00 73.63 C +ATOM 2394 N PRO A 302 4.276 -9.642 -11.378 1.00 83.58 N +ATOM 2395 CA PRO A 302 4.284 -8.333 -10.719 1.00 83.68 C +ATOM 2396 C PRO A 302 3.020 -8.075 -9.903 1.00 83.95 C +ATOM 2397 CB PRO A 302 4.389 -7.351 -11.888 1.00 82.61 C +ATOM 2398 O PRO A 302 3.092 -7.506 -8.811 1.00 82.68 O +ATOM 2399 CG PRO A 302 5.097 -8.110 -12.963 1.00 82.32 C +ATOM 2400 CD PRO A 302 4.610 -9.531 -12.944 1.00 82.90 C +ATOM 2401 N ALA A 303 1.857 -8.536 -10.357 1.00 82.07 N +ATOM 2402 CA ALA A 303 0.599 -8.412 -9.625 1.00 81.95 C +ATOM 2403 C ALA A 303 0.620 -9.251 -8.351 1.00 82.92 C +ATOM 2404 CB ALA A 303 -0.575 -8.825 -10.510 1.00 80.70 C +ATOM 2405 O ALA A 303 0.173 -8.798 -7.294 1.00 82.48 O +ATOM 2406 N TYR A 304 1.314 -10.393 -8.393 1.00 83.68 N +ATOM 2407 CA TYR A 304 1.468 -11.254 -7.226 1.00 84.38 C +ATOM 2408 C TYR A 304 2.411 -10.627 -6.206 1.00 84.94 C +ATOM 2409 CB TYR A 304 1.990 -12.633 -7.640 1.00 83.14 C +ATOM 2410 O TYR A 304 2.161 -10.688 -5.000 1.00 84.52 O +ATOM 2411 CG TYR A 304 0.991 -13.450 -8.423 1.00 80.95 C +ATOM 2412 CD1 TYR A 304 -0.280 -13.706 -7.916 1.00 78.36 C +ATOM 2413 CD2 TYR A 304 1.317 -13.968 -9.672 1.00 78.93 C +ATOM 2414 CE1 TYR A 304 -1.203 -14.459 -8.633 1.00 77.97 C +ATOM 2415 CE2 TYR A 304 0.402 -14.722 -10.399 1.00 77.89 C +ATOM 2416 OH TYR A 304 -1.763 -15.709 -10.587 1.00 74.21 O +ATOM 2417 CZ TYR A 304 -0.853 -14.962 -9.872 1.00 75.16 C +ATOM 2418 N PHE A 305 3.458 -9.924 -6.652 1.00 85.64 N +ATOM 2419 CA PHE A 305 4.374 -9.202 -5.777 1.00 86.14 C +ATOM 2420 C PHE A 305 3.687 -7.994 -5.151 1.00 86.15 C +ATOM 2421 CB PHE A 305 5.619 -8.756 -6.550 1.00 84.91 C +ATOM 2422 O PHE A 305 3.764 -7.789 -3.938 1.00 85.32 O +ATOM 2423 CG PHE A 305 6.647 -9.841 -6.725 1.00 83.47 C +ATOM 2424 CD1 PHE A 305 7.368 -10.317 -5.636 1.00 81.52 C +ATOM 2425 CD2 PHE A 305 6.892 -10.386 -7.978 1.00 82.06 C +ATOM 2426 CE1 PHE A 305 8.320 -11.321 -5.795 1.00 81.21 C +ATOM 2427 CE2 PHE A 305 7.841 -11.391 -8.145 1.00 80.46 C +ATOM 2428 CZ PHE A 305 8.555 -11.856 -7.052 1.00 78.88 C +ATOM 2429 N ALA A 306 2.905 -7.249 -5.917 1.00 85.71 N +ATOM 2430 CA ALA A 306 2.152 -6.099 -5.426 1.00 85.88 C +ATOM 2431 C ALA A 306 1.133 -6.520 -4.371 1.00 86.33 C +ATOM 2432 CB ALA A 306 1.453 -5.387 -6.581 1.00 84.23 C +ATOM 2433 O ALA A 306 1.040 -5.903 -3.307 1.00 85.47 O +ATOM 2434 N LYS A 307 0.547 -7.684 -4.500 1.00 87.53 N +ATOM 2435 CA LYS A 307 -0.396 -8.225 -3.525 1.00 87.82 C +ATOM 2436 C LYS A 307 0.319 -8.651 -2.246 1.00 88.16 C +ATOM 2437 CB LYS A 307 -1.161 -9.409 -4.118 1.00 85.71 C +ATOM 2438 O LYS A 307 -0.255 -8.589 -1.157 1.00 87.05 O +ATOM 2439 CG LYS A 307 -2.184 -9.019 -5.174 1.00 79.10 C +ATOM 2440 CD LYS A 307 -2.907 -10.239 -5.730 1.00 75.88 C +ATOM 2441 CE LYS A 307 -3.986 -9.844 -6.729 1.00 70.72 C +ATOM 2442 NZ LYS A 307 -4.751 -11.031 -7.216 1.00 66.00 N +ATOM 2443 N GLY A 308 1.564 -9.083 -2.321 1.00 88.33 N +ATOM 2444 CA GLY A 308 2.408 -9.318 -1.160 1.00 88.94 C +ATOM 2445 C GLY A 308 2.559 -8.096 -0.274 1.00 89.03 C +ATOM 2446 O GLY A 308 2.734 -8.220 0.940 1.00 88.07 O +ATOM 2447 N ALA A 309 2.374 -6.895 -0.819 1.00 88.70 N +ATOM 2448 CA ALA A 309 2.453 -5.639 -0.077 1.00 89.41 C +ATOM 2449 C ALA A 309 1.384 -5.576 1.010 1.00 90.42 C +ATOM 2450 CB ALA A 309 2.313 -4.452 -1.026 1.00 87.52 C +ATOM 2451 O ALA A 309 1.652 -5.127 2.127 1.00 90.03 O +ATOM 2452 N THR A 310 0.188 -6.143 0.785 1.00 92.11 N +ATOM 2453 CA THR A 310 -0.947 -6.112 1.701 1.00 92.78 C +ATOM 2454 C THR A 310 -0.642 -6.908 2.967 1.00 92.64 C +ATOM 2455 CB THR A 310 -2.218 -6.669 1.034 1.00 91.75 C +ATOM 2456 O THR A 310 -1.233 -6.660 4.020 1.00 91.83 O +ATOM 2457 CG2 THR A 310 -2.545 -5.910 -0.247 1.00 88.08 C +ATOM 2458 OG1 THR A 310 -2.018 -8.053 0.719 1.00 88.95 O +ATOM 2459 N ILE A 311 0.369 -7.832 2.942 1.00 91.86 N +ATOM 2460 CA ILE A 311 0.850 -8.594 4.089 1.00 92.17 C +ATOM 2461 C ILE A 311 1.958 -7.817 4.797 1.00 91.47 C +ATOM 2462 CB ILE A 311 1.360 -9.990 3.667 1.00 91.35 C +ATOM 2463 O ILE A 311 1.988 -7.747 6.028 1.00 90.44 O +ATOM 2464 CG1 ILE A 311 0.256 -10.764 2.938 1.00 89.42 C +ATOM 2465 CG2 ILE A 311 1.864 -10.772 4.884 1.00 88.84 C +ATOM 2466 CD1 ILE A 311 0.736 -12.044 2.268 1.00 86.47 C +ATOM 2467 N TYR A 312 2.859 -7.174 4.089 1.00 91.52 N +ATOM 2468 CA TYR A 312 4.072 -6.567 4.625 1.00 91.39 C +ATOM 2469 C TYR A 312 3.765 -5.230 5.289 1.00 91.13 C +ATOM 2470 CB TYR A 312 5.112 -6.374 3.518 1.00 89.12 C +ATOM 2471 O TYR A 312 4.402 -4.860 6.278 1.00 89.70 O +ATOM 2472 CG TYR A 312 5.612 -7.668 2.922 1.00 81.86 C +ATOM 2473 CD1 TYR A 312 6.275 -8.608 3.707 1.00 75.78 C +ATOM 2474 CD2 TYR A 312 5.423 -7.952 1.574 1.00 75.95 C +ATOM 2475 CE1 TYR A 312 6.739 -9.801 3.162 1.00 73.86 C +ATOM 2476 CE2 TYR A 312 5.883 -9.141 1.018 1.00 73.31 C +ATOM 2477 OH TYR A 312 6.996 -11.237 1.274 1.00 57.80 O +ATOM 2478 CZ TYR A 312 6.538 -10.058 1.819 1.00 72.39 C +ATOM 2479 N ASN A 313 2.821 -4.519 4.743 1.00 90.19 N +ATOM 2480 CA ASN A 313 2.503 -3.195 5.267 1.00 90.68 C +ATOM 2481 C ASN A 313 2.155 -3.249 6.752 1.00 91.26 C +ATOM 2482 CB ASN A 313 1.354 -2.566 4.475 1.00 89.77 C +ATOM 2483 O ASN A 313 2.823 -2.619 7.574 1.00 90.89 O +ATOM 2484 CG ASN A 313 1.783 -2.097 3.099 1.00 87.42 C +ATOM 2485 ND2 ASN A 313 0.818 -1.939 2.200 1.00 86.86 N +ATOM 2486 OD1 ASN A 313 2.970 -1.878 2.846 1.00 86.38 O +ATOM 2487 N PRO A 314 1.211 -4.083 7.256 1.00 91.29 N +ATOM 2488 CA PRO A 314 0.912 -4.181 8.686 1.00 91.55 C +ATOM 2489 C PRO A 314 2.062 -4.783 9.490 1.00 90.88 C +ATOM 2490 CB PRO A 314 -0.318 -5.093 8.727 1.00 90.46 C +ATOM 2491 O PRO A 314 2.322 -4.356 10.618 1.00 89.88 O +ATOM 2492 CG PRO A 314 -0.306 -5.809 7.415 1.00 89.27 C +ATOM 2493 CD PRO A 314 0.363 -4.931 6.398 1.00 89.50 C +ATOM 2494 N ILE A 315 2.807 -5.772 8.922 1.00 91.87 N +ATOM 2495 CA ILE A 315 3.938 -6.398 9.598 1.00 92.01 C +ATOM 2496 C ILE A 315 5.024 -5.357 9.860 1.00 91.14 C +ATOM 2497 CB ILE A 315 4.509 -7.573 8.774 1.00 91.51 C +ATOM 2498 O ILE A 315 5.496 -5.214 10.990 1.00 90.04 O +ATOM 2499 CG1 ILE A 315 3.506 -8.731 8.727 1.00 91.18 C +ATOM 2500 CG2 ILE A 315 5.852 -8.034 9.349 1.00 90.85 C +ATOM 2501 CD1 ILE A 315 3.901 -9.855 7.779 1.00 89.04 C +ATOM 2502 N ILE A 316 5.390 -4.568 8.882 1.00 89.73 N +ATOM 2503 CA ILE A 316 6.376 -3.500 9.005 1.00 89.55 C +ATOM 2504 C ILE A 316 5.914 -2.489 10.052 1.00 89.38 C +ATOM 2505 CB ILE A 316 6.619 -2.796 7.651 1.00 88.29 C +ATOM 2506 O ILE A 316 6.675 -2.125 10.952 1.00 88.30 O +ATOM 2507 CG1 ILE A 316 7.377 -3.725 6.696 1.00 84.53 C +ATOM 2508 CG2 ILE A 316 7.378 -1.482 7.854 1.00 84.33 C +ATOM 2509 CD1 ILE A 316 7.401 -3.242 5.252 1.00 81.15 C +ATOM 2510 N TYR A 317 4.704 -2.157 10.050 1.00 88.63 N +ATOM 2511 CA TYR A 317 4.172 -1.173 10.985 1.00 88.27 C +ATOM 2512 C TYR A 317 4.200 -1.705 12.412 1.00 88.30 C +ATOM 2513 CB TYR A 317 2.741 -0.784 10.601 1.00 85.71 C +ATOM 2514 O TYR A 317 4.604 -0.998 13.338 1.00 86.69 O +ATOM 2515 CG TYR A 317 2.120 0.237 11.523 1.00 77.07 C +ATOM 2516 CD1 TYR A 317 2.377 1.596 11.363 1.00 70.18 C +ATOM 2517 CD2 TYR A 317 1.278 -0.156 12.558 1.00 70.22 C +ATOM 2518 CE1 TYR A 317 1.809 2.541 12.212 1.00 67.35 C +ATOM 2519 CE2 TYR A 317 0.704 0.779 13.413 1.00 65.46 C +ATOM 2520 OH TYR A 317 0.410 3.054 14.075 1.00 52.11 O +ATOM 2521 CZ TYR A 317 0.975 2.123 13.232 1.00 67.36 C +ATOM 2522 N VAL A 318 3.807 -2.963 12.680 1.00 89.82 N +ATOM 2523 CA VAL A 318 3.870 -3.615 13.983 1.00 89.51 C +ATOM 2524 C VAL A 318 5.314 -3.644 14.478 1.00 88.44 C +ATOM 2525 CB VAL A 318 3.296 -5.049 13.929 1.00 89.04 C +ATOM 2526 O VAL A 318 5.584 -3.340 15.643 1.00 87.12 O +ATOM 2527 CG1 VAL A 318 3.609 -5.805 15.219 1.00 89.00 C +ATOM 2528 CG2 VAL A 318 1.790 -5.011 13.679 1.00 88.83 C +ATOM 2529 N PHE A 319 6.280 -3.884 13.586 1.00 88.86 N +ATOM 2530 CA PHE A 319 7.683 -3.971 13.974 1.00 87.72 C +ATOM 2531 C PHE A 319 8.253 -2.586 14.259 1.00 85.98 C +ATOM 2532 CB PHE A 319 8.503 -4.662 12.880 1.00 85.95 C +ATOM 2533 O PHE A 319 9.049 -2.415 15.185 1.00 82.95 O +ATOM 2534 CG PHE A 319 8.475 -6.164 12.957 1.00 80.96 C +ATOM 2535 CD1 PHE A 319 9.041 -6.829 14.038 1.00 76.43 C +ATOM 2536 CD2 PHE A 319 7.882 -6.912 11.949 1.00 76.36 C +ATOM 2537 CE1 PHE A 319 9.017 -8.220 14.113 1.00 74.64 C +ATOM 2538 CE2 PHE A 319 7.853 -8.302 12.016 1.00 72.79 C +ATOM 2539 CZ PHE A 319 8.422 -8.954 13.098 1.00 72.47 C +ATOM 2540 N MET A 320 7.690 -1.586 13.618 1.00 86.12 N +ATOM 2541 CA MET A 320 8.243 -0.236 13.674 1.00 85.06 C +ATOM 2542 C MET A 320 7.590 0.574 14.790 1.00 84.50 C +ATOM 2543 CB MET A 320 8.058 0.478 12.334 1.00 83.08 C +ATOM 2544 O MET A 320 8.208 1.484 15.345 1.00 81.37 O +ATOM 2545 CG MET A 320 8.923 -0.082 11.216 1.00 77.27 C +ATOM 2546 SD MET A 320 8.752 0.864 9.653 1.00 73.10 S +ATOM 2547 CE MET A 320 9.715 2.345 10.069 1.00 66.39 C +ATOM 2548 N ASN A 321 6.393 0.326 15.140 1.00 86.89 N +ATOM 2549 CA ASN A 321 5.658 1.063 16.162 1.00 87.33 C +ATOM 2550 C ASN A 321 5.536 0.259 17.454 1.00 88.09 C +ATOM 2551 CB ASN A 321 4.272 1.456 15.648 1.00 86.21 C +ATOM 2552 O ASN A 321 4.674 -0.615 17.566 1.00 87.51 O +ATOM 2553 CG ASN A 321 3.536 2.379 16.600 1.00 83.97 C +ATOM 2554 ND2 ASN A 321 2.682 3.236 16.053 1.00 83.67 N +ATOM 2555 OD1 ASN A 321 3.735 2.323 17.816 1.00 83.06 O +ATOM 2556 N ARG A 322 6.411 0.620 18.419 1.00 87.22 N +ATOM 2557 CA ARG A 322 6.489 -0.058 19.709 1.00 87.75 C +ATOM 2558 C ARG A 322 5.134 -0.063 20.407 1.00 88.18 C +ATOM 2559 CB ARG A 322 7.537 0.607 20.603 1.00 86.27 C +ATOM 2560 O ARG A 322 4.742 -1.067 21.007 1.00 87.75 O +ATOM 2561 CG ARG A 322 7.722 -0.077 21.948 1.00 83.36 C +ATOM 2562 CD ARG A 322 8.826 0.578 22.767 1.00 83.16 C +ATOM 2563 NE ARG A 322 8.981 -0.060 24.071 1.00 78.96 N +ATOM 2564 NH1 ARG A 322 10.607 1.398 24.823 1.00 75.59 N +ATOM 2565 NH2 ARG A 322 9.882 -0.310 26.169 1.00 74.10 N +ATOM 2566 CZ ARG A 322 9.823 0.344 25.018 1.00 77.41 C +ATOM 2567 N GLN A 323 4.410 1.039 20.368 1.00 87.93 N +ATOM 2568 CA GLN A 323 3.089 1.127 20.981 1.00 88.92 C +ATOM 2569 C GLN A 323 2.123 0.126 20.353 1.00 90.36 C +ATOM 2570 CB GLN A 323 2.532 2.545 20.856 1.00 86.96 C +ATOM 2571 O GLN A 323 1.444 -0.619 21.062 1.00 90.44 O +ATOM 2572 CG GLN A 323 3.297 3.581 21.668 1.00 80.44 C +ATOM 2573 CD GLN A 323 2.723 4.979 21.526 1.00 77.80 C +ATOM 2574 NE2 GLN A 323 3.112 5.873 22.428 1.00 73.46 N +ATOM 2575 OE1 GLN A 323 1.938 5.252 20.613 1.00 77.15 O +ATOM 2576 N PHE A 324 2.115 0.069 19.067 1.00 90.19 N +ATOM 2577 CA PHE A 324 1.257 -0.848 18.327 1.00 91.10 C +ATOM 2578 C PHE A 324 1.651 -2.295 18.597 1.00 91.87 C +ATOM 2579 CB PHE A 324 1.326 -0.556 16.824 1.00 89.49 C +ATOM 2580 O PHE A 324 0.802 -3.122 18.935 1.00 91.58 O +ATOM 2581 CG PHE A 324 0.118 -1.026 16.059 1.00 84.88 C +ATOM 2582 CD1 PHE A 324 0.025 -2.341 15.620 1.00 80.38 C +ATOM 2583 CD2 PHE A 324 -0.924 -0.153 15.779 1.00 80.65 C +ATOM 2584 CE1 PHE A 324 -1.092 -2.779 14.911 1.00 79.76 C +ATOM 2585 CE2 PHE A 324 -2.043 -0.583 15.071 1.00 79.01 C +ATOM 2586 CZ PHE A 324 -2.124 -1.896 14.637 1.00 77.98 C +ATOM 2587 N ARG A 325 2.917 -2.633 18.566 1.00 92.46 N +ATOM 2588 CA ARG A 325 3.447 -3.943 18.930 1.00 92.91 C +ATOM 2589 C ARG A 325 3.004 -4.342 20.334 1.00 92.87 C +ATOM 2590 CB ARG A 325 4.974 -3.949 18.841 1.00 92.13 C +ATOM 2591 O ARG A 325 2.523 -5.457 20.545 1.00 92.55 O +ATOM 2592 CG ARG A 325 5.603 -5.304 19.126 1.00 91.30 C +ATOM 2593 CD ARG A 325 7.117 -5.268 18.971 1.00 91.29 C +ATOM 2594 NE ARG A 325 7.739 -4.394 19.962 1.00 89.23 N +ATOM 2595 NH1 ARG A 325 9.509 -3.779 18.611 1.00 86.61 N +ATOM 2596 NH2 ARG A 325 9.340 -2.942 20.738 1.00 86.05 N +ATOM 2597 CZ ARG A 325 8.861 -3.707 19.768 1.00 87.74 C +ATOM 2598 N ASN A 326 3.111 -3.435 21.318 1.00 93.08 N +ATOM 2599 CA ASN A 326 2.681 -3.689 22.689 1.00 93.63 C +ATOM 2600 C ASN A 326 1.181 -3.961 22.764 1.00 94.00 C +ATOM 2601 CB ASN A 326 3.053 -2.513 23.595 1.00 92.96 C +ATOM 2602 O ASN A 326 0.749 -4.891 23.448 1.00 93.89 O +ATOM 2603 CG ASN A 326 4.545 -2.413 23.840 1.00 91.56 C +ATOM 2604 ND2 ASN A 326 4.958 -1.392 24.581 1.00 91.74 N +ATOM 2605 OD1 ASN A 326 5.321 -3.247 23.366 1.00 90.90 O +ATOM 2606 N CYS A 327 0.348 -3.280 22.001 1.00 93.87 N +ATOM 2607 CA CYS A 327 -1.092 -3.500 21.938 1.00 94.59 C +ATOM 2608 C CYS A 327 -1.410 -4.850 21.306 1.00 94.71 C +ATOM 2609 CB CYS A 327 -1.771 -2.383 21.146 1.00 93.38 C +ATOM 2610 O CYS A 327 -2.274 -5.581 21.794 1.00 94.26 O +ATOM 2611 SG CYS A 327 -1.788 -0.792 22.000 1.00 94.03 S +ATOM 2612 N ILE A 328 -0.667 -5.300 20.315 1.00 94.38 N +ATOM 2613 CA ILE A 328 -0.839 -6.609 19.694 1.00 94.66 C +ATOM 2614 C ILE A 328 -0.428 -7.704 20.675 1.00 94.57 C +ATOM 2615 CB ILE A 328 -0.022 -6.726 18.387 1.00 93.86 C +ATOM 2616 O ILE A 328 -1.161 -8.676 20.872 1.00 94.03 O +ATOM 2617 CG1 ILE A 328 -0.657 -5.873 17.282 1.00 91.32 C +ATOM 2618 CG2 ILE A 328 0.093 -8.189 17.952 1.00 91.29 C +ATOM 2619 CD1 ILE A 328 0.135 -5.855 15.982 1.00 88.05 C +ATOM 2620 N LEU A 329 0.668 -7.555 21.402 1.00 94.94 N +ATOM 2621 CA LEU A 329 1.096 -8.513 22.416 1.00 95.41 C +ATOM 2622 C LEU A 329 0.065 -8.615 23.535 1.00 95.60 C +ATOM 2623 CB LEU A 329 2.456 -8.110 22.994 1.00 94.95 C +ATOM 2624 O LEU A 329 -0.270 -9.717 23.977 1.00 95.52 O +ATOM 2625 CG LEU A 329 3.665 -8.304 22.078 1.00 93.86 C +ATOM 2626 CD1 LEU A 329 4.911 -7.689 22.708 1.00 92.56 C +ATOM 2627 CD2 LEU A 329 3.883 -9.784 21.785 1.00 92.35 C +ATOM 2628 N GLN A 330 -0.593 -7.518 23.942 1.00 95.73 N +ATOM 2629 CA GLN A 330 -1.657 -7.485 24.940 1.00 95.89 C +ATOM 2630 C GLN A 330 -2.910 -8.192 24.432 1.00 95.84 C +ATOM 2631 CB GLN A 330 -1.988 -6.042 25.325 1.00 95.29 C +ATOM 2632 O GLN A 330 -3.626 -8.831 25.206 1.00 95.46 O +ATOM 2633 CG GLN A 330 -0.948 -5.393 26.227 1.00 92.78 C +ATOM 2634 CD GLN A 330 -1.262 -3.940 26.534 1.00 90.37 C +ATOM 2635 NE2 GLN A 330 -0.360 -3.277 27.249 1.00 90.70 N +ATOM 2636 OE1 GLN A 330 -2.307 -3.419 26.131 1.00 90.47 O +ATOM 2637 N LEU A 331 -3.202 -8.161 23.162 1.00 95.83 N +ATOM 2638 CA LEU A 331 -4.308 -8.912 22.576 1.00 95.99 C +ATOM 2639 C LEU A 331 -4.084 -10.413 22.723 1.00 95.33 C +ATOM 2640 CB LEU A 331 -4.475 -8.551 21.098 1.00 95.77 C +ATOM 2641 O LEU A 331 -5.039 -11.171 22.911 1.00 94.48 O +ATOM 2642 CG LEU A 331 -5.048 -7.165 20.798 1.00 94.73 C +ATOM 2643 CD1 LEU A 331 -5.026 -6.895 19.297 1.00 92.89 C +ATOM 2644 CD2 LEU A 331 -6.465 -7.041 21.348 1.00 92.51 C +ATOM 2645 N PHE A 332 -2.896 -10.911 22.749 1.00 96.56 N +ATOM 2646 CA PHE A 332 -2.533 -12.317 22.885 1.00 96.72 C +ATOM 2647 C PHE A 332 -2.285 -12.674 24.346 1.00 96.54 C +ATOM 2648 CB PHE A 332 -1.290 -12.636 22.048 1.00 96.39 C +ATOM 2649 O PHE A 332 -1.636 -13.679 24.643 1.00 95.82 O +ATOM 2650 CG PHE A 332 -1.547 -12.661 20.565 1.00 95.64 C +ATOM 2651 CD1 PHE A 332 -2.344 -13.648 20.000 1.00 93.98 C +ATOM 2652 CD2 PHE A 332 -0.990 -11.695 19.737 1.00 93.84 C +ATOM 2653 CE1 PHE A 332 -2.583 -13.673 18.628 1.00 92.98 C +ATOM 2654 CE2 PHE A 332 -1.224 -11.714 18.365 1.00 92.78 C +ATOM 2655 CZ PHE A 332 -2.020 -12.704 17.812 1.00 92.34 C +ATOM 2656 N GLY A 333 -2.724 -11.789 25.248 1.00 96.97 N +ATOM 2657 CA GLY A 333 -2.665 -12.040 26.679 1.00 97.14 C +ATOM 2658 C GLY A 333 -1.264 -11.918 27.249 1.00 96.93 C +ATOM 2659 O GLY A 333 -1.029 -12.259 28.410 1.00 96.44 O +ATOM 2660 N LYS A 334 -0.298 -11.474 26.442 1.00 96.14 N +ATOM 2661 CA LYS A 334 1.035 -11.228 26.986 1.00 96.21 C +ATOM 2662 C LYS A 334 1.060 -9.955 27.826 1.00 96.02 C +ATOM 2663 CB LYS A 334 2.065 -11.133 25.859 1.00 95.38 C +ATOM 2664 O LYS A 334 0.702 -8.878 27.342 1.00 95.40 O +ATOM 2665 CG LYS A 334 2.265 -12.431 25.091 1.00 91.95 C +ATOM 2666 CD LYS A 334 3.424 -12.327 24.109 1.00 89.08 C +ATOM 2667 CE LYS A 334 3.657 -13.642 23.376 1.00 87.00 C +ATOM 2668 NZ LYS A 334 4.825 -13.560 22.449 1.00 86.29 N +ATOM 2669 N LYS A 335 1.457 -10.065 29.117 1.00 94.85 N +ATOM 2670 CA LYS A 335 1.804 -8.905 29.933 1.00 94.44 C +ATOM 2671 C LYS A 335 2.965 -8.128 29.320 1.00 93.55 C +ATOM 2672 CB LYS A 335 2.155 -9.336 31.357 1.00 93.61 C +ATOM 2673 O LYS A 335 4.079 -8.647 29.215 1.00 91.95 O +ATOM 2674 CG LYS A 335 0.981 -9.904 32.140 1.00 90.56 C +ATOM 2675 CD LYS A 335 1.363 -10.202 33.584 1.00 88.94 C +ATOM 2676 CE LYS A 335 0.183 -10.753 34.374 1.00 87.71 C +ATOM 2677 NZ LYS A 335 0.531 -10.970 35.810 1.00 87.01 N +ATOM 2678 N VAL A 336 2.612 -7.050 28.830 1.00 93.67 N +ATOM 2679 CA VAL A 336 3.625 -6.053 28.499 1.00 93.39 C +ATOM 2680 C VAL A 336 4.013 -5.273 29.754 1.00 92.32 C +ATOM 2681 CB VAL A 336 3.132 -5.085 27.401 1.00 92.61 C +ATOM 2682 O VAL A 336 3.173 -4.603 30.359 1.00 90.21 O +ATOM 2683 CG1 VAL A 336 4.237 -4.107 27.007 1.00 89.37 C +ATOM 2684 CG2 VAL A 336 2.645 -5.866 26.182 1.00 88.96 C +ATOM 2685 N GLU A 337 5.273 -5.485 30.174 1.00 90.01 N +ATOM 2686 CA GLU A 337 5.818 -4.538 31.142 1.00 89.39 C +ATOM 2687 C GLU A 337 5.810 -3.116 30.587 1.00 88.55 C +ATOM 2688 CB GLU A 337 7.241 -4.937 31.543 1.00 88.24 C +ATOM 2689 O GLU A 337 6.546 -2.806 29.647 1.00 86.50 O +ATOM 2690 CG GLU A 337 7.320 -6.259 32.293 1.00 86.20 C +ATOM 2691 CD GLU A 337 8.746 -6.715 32.555 1.00 85.69 C +ATOM 2692 OE1 GLU A 337 9.695 -6.026 32.116 1.00 85.02 O +ATOM 2693 OE2 GLU A 337 8.917 -7.772 33.203 1.00 86.61 O +ATOM 2694 N ASP A 338 4.739 -2.425 30.951 1.00 87.74 N +ATOM 2695 CA ASP A 338 4.763 -0.993 30.669 1.00 86.58 C +ATOM 2696 C ASP A 338 6.053 -0.355 31.178 1.00 85.74 C +ATOM 2697 CB ASP A 338 3.551 -0.302 31.296 1.00 84.44 C +ATOM 2698 O ASP A 338 6.133 0.056 32.338 1.00 82.71 O +ATOM 2699 CG ASP A 338 2.269 -0.525 30.513 1.00 78.83 C +ATOM 2700 OD1 ASP A 338 2.333 -0.703 29.277 1.00 74.01 O +ATOM 2701 OD2 ASP A 338 1.186 -0.519 31.136 1.00 77.50 O +ATOM 2702 N GLY A 339 7.064 -0.283 30.432 1.00 83.28 N +ATOM 2703 CA GLY A 339 8.342 0.357 30.699 1.00 82.46 C +ATOM 2704 C GLY A 339 8.219 1.845 30.967 1.00 80.96 C +ATOM 2705 O GLY A 339 9.134 2.614 30.664 1.00 75.98 O +ATOM 2706 N SER A 340 6.951 2.326 31.131 1.00 78.29 N +ATOM 2707 CA SER A 340 6.628 3.716 31.439 1.00 76.59 C +ATOM 2708 C SER A 340 7.028 4.073 32.867 1.00 77.39 C +ATOM 2709 CB SER A 340 5.135 3.977 31.239 1.00 73.98 C +ATOM 2710 O SER A 340 6.931 5.233 33.273 1.00 72.71 O +ATOM 2711 OG SER A 340 4.361 2.936 31.811 1.00 70.14 O +ATOM 2712 N GLU A 341 7.671 3.128 33.646 1.00 73.65 N +ATOM 2713 CA GLU A 341 8.073 3.422 35.019 1.00 73.89 C +ATOM 2714 C GLU A 341 9.389 4.194 35.055 1.00 73.87 C +ATOM 2715 CB GLU A 341 8.197 2.131 35.831 1.00 68.91 C +ATOM 2716 O GLU A 341 9.727 4.807 36.070 1.00 69.68 O +ATOM 2717 CG GLU A 341 6.995 1.845 36.719 1.00 65.53 C +ATOM 2718 CD GLU A 341 7.185 0.629 37.612 1.00 64.68 C +ATOM 2719 OE1 GLU A 341 8.168 -0.121 37.416 1.00 68.21 O +ATOM 2720 OE2 GLU A 341 6.343 0.424 38.515 1.00 61.17 O +ATOM 2721 N ILE A 342 9.919 4.560 33.918 1.00 72.87 N +ATOM 2722 CA ILE A 342 11.268 5.114 33.938 1.00 72.62 C +ATOM 2723 C ILE A 342 11.200 6.640 33.932 1.00 72.23 C +ATOM 2724 CB ILE A 342 12.105 4.610 32.741 1.00 68.70 C +ATOM 2725 O ILE A 342 12.194 7.313 34.211 1.00 67.72 O +ATOM 2726 CG1 ILE A 342 12.311 3.094 32.834 1.00 65.84 C +ATOM 2727 CG2 ILE A 342 13.448 5.343 32.674 1.00 65.16 C +ATOM 2728 CD1 ILE A 342 13.004 2.488 31.621 1.00 65.79 C +ATOM 2729 N THR A 343 9.941 7.242 33.929 1.00 72.63 N +ATOM 2730 CA THR A 343 9.978 8.690 33.756 1.00 72.85 C +ATOM 2731 C THR A 343 9.419 9.397 34.988 1.00 73.11 C +ATOM 2732 CB THR A 343 9.187 9.124 32.508 1.00 68.91 C +ATOM 2733 O THR A 343 9.428 10.627 35.062 1.00 69.47 O +ATOM 2734 CG2 THR A 343 10.120 9.399 31.333 1.00 62.45 C +ATOM 2735 OG1 THR A 343 8.272 8.084 32.144 1.00 66.59 O +ATOM 2736 N SER A 344 9.092 8.657 36.050 1.00 70.12 N +ATOM 2737 CA SER A 344 8.388 9.374 37.108 1.00 71.02 C +ATOM 2738 C SER A 344 9.268 9.543 38.342 1.00 71.48 C +ATOM 2739 CB SER A 344 7.099 8.643 37.486 1.00 66.77 C +ATOM 2740 O SER A 344 8.884 10.222 39.296 1.00 68.72 O +ATOM 2741 OG SER A 344 6.601 7.901 36.387 1.00 65.33 O +ATOM 2742 N SER A 345 10.540 9.136 38.324 1.00 71.58 N +ATOM 2743 CA SER A 345 11.259 9.158 39.593 1.00 72.60 C +ATOM 2744 C SER A 345 12.336 10.238 39.600 1.00 72.56 C +ATOM 2745 CB SER A 345 11.891 7.794 39.875 1.00 67.71 C +ATOM 2746 O SER A 345 13.019 10.434 40.608 1.00 69.33 O +ATOM 2747 OG SER A 345 12.030 7.047 38.679 1.00 65.76 O +ATOM 2748 N SER A 346 12.385 11.117 38.519 1.00 72.58 N +ATOM 2749 CA SER A 346 13.516 12.037 38.576 1.00 73.45 C +ATOM 2750 C SER A 346 13.048 13.485 38.668 1.00 73.26 C +ATOM 2751 CB SER A 346 14.414 11.859 37.351 1.00 68.90 C +ATOM 2752 O SER A 346 13.862 14.410 38.625 1.00 69.74 O +ATOM 2753 OG SER A 346 13.654 11.929 36.157 1.00 67.01 O +ATOM 2754 N THR A 347 11.697 13.803 38.821 1.00 73.23 N +ATOM 2755 CA THR A 347 11.281 15.201 38.858 1.00 74.48 C +ATOM 2756 C THR A 347 10.914 15.619 40.279 1.00 74.43 C +ATOM 2757 CB THR A 347 10.086 15.452 37.921 1.00 69.51 C +ATOM 2758 O THR A 347 10.487 16.753 40.507 1.00 71.52 O +ATOM 2759 CG2 THR A 347 10.197 16.813 37.240 1.00 62.15 C +ATOM 2760 OG1 THR A 347 10.049 14.430 36.917 1.00 68.38 O +ATOM 2761 N THR A 348 11.118 14.833 41.237 1.00 72.49 N +ATOM 2762 CA THR A 348 10.533 15.210 42.519 1.00 73.70 C +ATOM 2763 C THR A 348 11.596 15.789 43.449 1.00 73.80 C +ATOM 2764 CB THR A 348 9.853 14.007 43.198 1.00 68.23 C +ATOM 2765 O THR A 348 11.272 16.347 44.500 1.00 70.61 O +ATOM 2766 CG2 THR A 348 8.973 14.456 44.360 1.00 59.58 C +ATOM 2767 OG1 THR A 348 9.042 13.319 42.237 1.00 65.97 O +ATOM 2768 N GLU A 349 12.803 16.179 42.932 1.00 76.83 N +ATOM 2769 CA GLU A 349 13.661 16.676 44.003 1.00 76.84 C +ATOM 2770 C GLU A 349 14.272 18.026 43.641 1.00 77.38 C +ATOM 2771 CB GLU A 349 14.767 15.665 44.318 1.00 72.90 C +ATOM 2772 O GLU A 349 15.283 18.431 44.218 1.00 74.60 O +ATOM 2773 CG GLU A 349 14.471 14.785 45.523 1.00 70.12 C +ATOM 2774 CD GLU A 349 15.601 13.824 45.857 1.00 68.59 C +ATOM 2775 OE1 GLU A 349 16.451 13.558 44.977 1.00 71.93 O +ATOM 2776 OE2 GLU A 349 15.636 13.332 47.007 1.00 67.91 O +ATOM 2777 N VAL A 350 13.547 18.762 42.674 1.00 77.01 N +ATOM 2778 CA VAL A 350 14.008 20.142 42.565 1.00 77.53 C +ATOM 2779 C VAL A 350 13.018 21.074 43.259 1.00 77.75 C +ATOM 2780 CB VAL A 350 14.194 20.563 41.090 1.00 73.73 C +ATOM 2781 O VAL A 350 12.880 22.239 42.876 1.00 74.85 O +ATOM 2782 CG1 VAL A 350 14.721 21.995 41.000 1.00 70.97 C +ATOM 2783 CG2 VAL A 350 15.137 19.598 40.375 1.00 70.05 C +ATOM 2784 N SER A 351 12.418 20.642 44.336 1.00 74.78 N +ATOM 2785 CA SER A 351 11.548 21.543 45.084 1.00 74.86 C +ATOM 2786 C SER A 351 12.069 21.765 46.500 1.00 74.44 C +ATOM 2787 CB SER A 351 10.123 20.991 45.137 1.00 69.31 C +ATOM 2788 O SER A 351 11.936 20.892 47.361 1.00 69.72 O +ATOM 2789 OG SER A 351 9.222 21.970 45.625 1.00 64.71 O +ATOM 2790 N THR A 352 12.964 22.641 46.796 1.00 77.89 N +ATOM 2791 CA THR A 352 12.888 23.367 48.059 1.00 77.76 C +ATOM 2792 C THR A 352 14.280 23.775 48.534 1.00 78.78 C +ATOM 2793 CB THR A 352 12.198 22.524 49.147 1.00 72.99 C +ATOM 2794 O THR A 352 14.733 23.337 49.594 1.00 75.68 O +ATOM 2795 CG2 THR A 352 10.680 22.593 49.016 1.00 64.00 C +ATOM 2796 OG1 THR A 352 12.616 21.159 49.022 1.00 70.63 O +ATOM 2797 N ALA A 353 15.090 24.366 47.683 1.00 77.70 N +ATOM 2798 CA ALA A 353 16.196 25.114 48.274 1.00 77.58 C +ATOM 2799 C ALA A 353 16.182 26.569 47.813 1.00 78.96 C +ATOM 2800 CB ALA A 353 17.530 24.460 47.921 1.00 73.19 C +ATOM 2801 O ALA A 353 16.693 26.890 46.737 1.00 76.28 O +ATOM 2802 N SER A 354 15.219 27.368 48.304 1.00 78.88 N +ATOM 2803 CA SER A 354 15.319 28.776 48.678 1.00 79.24 C +ATOM 2804 C SER A 354 14.780 29.013 50.084 1.00 79.22 C +ATOM 2805 CB SER A 354 14.562 29.651 47.678 1.00 73.34 C +ATOM 2806 O SER A 354 13.749 28.453 50.463 1.00 76.99 O +ATOM 2807 OG SER A 354 13.245 29.166 47.480 1.00 65.24 O +TER 2808 SER A 354 +END diff --git a/examples/ex_structures/structural_validation_results.csv b/examples/ex_structures/structural_validation_results.csv new file mode 100644 index 00000000..50267a68 --- /dev/null +++ b/examples/ex_structures/structural_validation_results.csv @@ -0,0 +1,3 @@ +accession,sequence_length,mapped_lysine_pdb_id,backbone_rmsd,lysine_nz_distance_A +C_phantasticus_LWS1,359,310,9.250225342988399,3.3669949 +C_phantasticus_LWS2,354,307,8.915429050281164,4.109282 diff --git a/examples/optics_on_fish_paralog_test_2026-03-10_13-13-45/arg_log.txt b/examples/optics_on_fish_paralog_test_2026-03-10_13-13-45/arg_log.txt new file mode 100644 index 00000000..e5d1de62 --- /dev/null +++ b/examples/optics_on_fish_paralog_test_2026-03-10_13-13-45/arg_log.txt @@ -0,0 +1,17 @@ +Selected Options... +input_sequence: D:/safra/Github/optics/examples/optics_struct_comparison_ex.fasta +report_dir: D:\safra\Github\optics\examples/optics_on_fish_paralog_test_2026-03-10_13-13-45 +output_file: fish_paralog_test +model: whole-dataset-mnm +encoding_method: aa_prop +tolerate_non_standard_aa: True +tolerate_incomplete_seqs: False +blastp: True + blastp_report: blastp_report.txt + refseq: bovine + custom_ref_file: None +bootstrap: True + visualize_bootstrap: True + bootstrap_viz_file: bootstrap_viz + save_as: svg + full_spectrum_xaxis: False diff --git a/examples/optics_on_fish_paralog_test_2026-03-10_13-13-45/blastp_report.csv b/examples/optics_on_fish_paralog_test_2026-03-10_13-13-45/blastp_report.csv new file mode 100644 index 00000000..b363f390 --- /dev/null +++ b/examples/optics_on_fish_paralog_test_2026-03-10_13-13-45/blastp_report.csv @@ -0,0 +1,3 @@ +query_id,status,closest_match_id,match_species,match_opsin_family,match_accession,match_lambda_max,percent_identity,alignment_length,mismatches,gap_opens,e_value,differences_from_match +C_phantasticus_LWS2,Success,S698,lwsanc_pigmenti_sp.,LWS,lwsanc_pigmenti,564.0,79.251,347,71,1,0.0,E2D; A6E; I8A; N14S; V25E; D30H; A39L; C40T; T41S; L52V; V81I; I84L; I88V; I95V; I111V; Y115F; V116T; V119T; A123T; G124A; V130I; R147K; W152L; T154A; I158V; I162V; A164S; I165A; L166V; K201Q; T206V; L208M; F209I; L214I; V218I; I221L; F225Q; S228W; H231R; S232A; R248K; T251S; I255V; V258I; F261Y; V262C; I263F; A269T; T270F; T273C; S275A; C277A; W283F; T287A; S289A; L290M; G297S; L318M; E329D; I334V; T335S; S337T; T339K; T344S; A345V; -347P; -348A +C_phantasticus_LWS1,Success,S197,Carassius_auratus,LWS,L11867.1,560.9,85.794,359,49,2,0.0,I8M; D25E; I39L; V46F; I49V; L50A; I84L; I89L; V96T; I99F; Y100F; L109M; I112F; Y115F; A118S; A119V; I137V; E150A; T154S; T160S; L165A; F166I; Y178F; N195S; R201Q; V205I; T206V; L209I; L214I; S217A; V218I; F221L; C225A; M228L; A232T; L259F; F271C; V272A; G275A; T276A; Y278N; Y318M; M320L diff --git a/examples/optics_on_fish_paralog_test_2026-03-10_13-13-45/bootstrap_viz_part1.svg b/examples/optics_on_fish_paralog_test_2026-03-10_13-13-45/bootstrap_viz_part1.svg new file mode 100644 index 00000000..b57b87e4 --- /dev/null +++ b/examples/optics_on_fish_paralog_test_2026-03-10_13-13-45/bootstrap_viz_part1.svg @@ -0,0 +1,1667 @@ + + + + + + + + 2026-03-10T13:13:46.113115 + image/svg+xml + + + Matplotlib v3.9.2, https://matplotlib.org/ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 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b/examples/optics_on_fish_paralog_test_2026-03-10_13-13-45/fig_tree_color_annotation.txt new file mode 100644 index 00000000..2a8cbcd3 --- /dev/null +++ b/examples/optics_on_fish_paralog_test_2026-03-10_13-13-45/fig_tree_color_annotation.txt @@ -0,0 +1,3 @@ +Name !color +C_phantasticus_LWS1 #b3ff00 +C_phantasticus_LWS2 #1eff00 diff --git a/examples/optics_on_fish_paralog_test_2026-03-10_13-13-45/fish_paralog_test_predictions.tsv b/examples/optics_on_fish_paralog_test_2026-03-10_13-13-45/fish_paralog_test_predictions.tsv new file mode 100644 index 00000000..edd16dcb --- /dev/null +++ b/examples/optics_on_fish_paralog_test_2026-03-10_13-13-45/fish_paralog_test_predictions.tsv @@ -0,0 +1,3 @@ +Names Single_Prediction Prediction_Means Prediction_Medians Prediction_Lower_Bounds Prediction_Upper_Bounds Std_Deviation %Identity_Nearest_VPOD_Sequence Sequence_Length Lmax_Hex_Color +C_phantasticus_LWS1 556.6 555.0 555.0 549.4 560.2 2.9 85.794 359 #b3ff00 +C_phantasticus_LWS2 522.4 514.9 515.3 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z{Bk45SQ}+gvJ=$IvkJV7EKq{}1#VZPd6YOx^0_aRYtgz7f4R|Oz^To`RPxLD8Zb(V zfTuMZSB&!qD{(d3nRr0!{~}93Ga5F15enM;r2uT0TqO|52?F(|AOL_M2yospf`!b$ g-~RvCKglNpQ~U2enmYfa0)J55yEn^jIK23O05%6BCIA2c diff --git a/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/optics_structure_map_ex_predictions.csv b/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/optics_structure_map_ex_predictions.csv deleted file mode 100644 index f5049040..00000000 --- a/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/optics_structure_map_ex_predictions.csv +++ /dev/null @@ -1,2 +0,0 @@ -Names,Single_Prediction,SHAP_Prediction,Sequence_Length -U57536,500.1,28.321982787086164,359 diff --git a/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/visualize_U57536.pml b/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/visualize_U57536.pml deleted file mode 100644 index 525d8ca6..00000000 --- a/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/visualize_U57536.pml +++ /dev/null @@ -1,7 +0,0 @@ -load U57536_structure_heatmap.pdb -hide everything -show cartoon -spectrum b, blue_white_red, minimum=0, maximum=100 -ramp_new scale, none, [0, 50, 100], [blue, white, red] -bg_color white -# NOTE: B-factors now represent ML Feature Importance (0=Low, 100=High) diff --git a/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/visualize_U57536_1U19_ref.pml b/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/visualize_U57536_1U19_ref.pml deleted file mode 100644 index 5b98c45e..00000000 --- a/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/visualize_U57536_1U19_ref.pml +++ /dev/null @@ -1,7 +0,0 @@ -load U57536_structure_heatmap_1U19_ref.pdb -hide everything -show cartoon -spectrum b, blue_white_red, minimum=0, maximum=100 -ramp_new scale, none, [0, 50, 100], [blue, white, red] -bg_color white -# NOTE: B-factors now represent ML Feature Importance (0=Low, 100=High) diff --git a/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/U57536_structure_heatmap_1U19_ref.pdb b/examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/1U19_ref_shap_comparison_mapped.pdb similarity index 88% rename from examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/U57536_structure_heatmap_1U19_ref.pdb rename to examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/1U19_ref_shap_comparison_mapped.pdb index 5f250df1..f148340b 100644 --- a/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/U57536_structure_heatmap_1U19_ref.pdb +++ b/examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/1U19_ref_shap_comparison_mapped.pdb @@ -677,91 +677,91 @@ SCALE3 0.000000 0.000000 0.006658 0.00000 HETATM 1 C ACE A 0 53.553 -7.050 35.606 1.00 0.00 C HETATM 2 O ACE A 0 52.916 -7.860 34.934 1.00 0.00 O HETATM 3 CH3 ACE A 0 54.727 -7.523 36.434 1.00 0.00 C -ATOM 4 N MET A 1 53.284 -5.731 35.670 1.00 0.22 N -ATOM 5 CA MET A 1 52.214 -5.077 34.913 1.00 0.22 C -ATOM 6 C MET A 1 52.674 -4.891 33.485 1.00 0.22 C -ATOM 7 O MET A 1 53.849 -4.563 33.283 1.00 0.22 O -ATOM 8 CB MET A 1 51.887 -3.719 35.536 1.00 0.22 C -ATOM 9 CG MET A 1 51.426 -3.792 36.982 1.00 0.22 C -ATOM 10 SD MET A 1 49.945 -4.797 37.183 1.00 0.22 S -ATOM 11 CE MET A 1 48.647 -3.745 36.534 1.00 0.22 C -ATOM 12 N ASN A 2 51.781 -5.083 32.508 1.00 0.08 N -ATOM 13 CA ASN A 2 52.150 -4.950 31.087 1.00 0.08 C -ATOM 14 C ASN A 2 52.395 -3.519 30.683 1.00 0.08 C -ATOM 15 O ASN A 2 53.065 -3.284 29.678 1.00 0.08 O -ATOM 16 CB ASN A 2 51.073 -5.523 30.174 1.00 0.08 C -ATOM 17 CG ASN A 2 50.985 -7.005 30.265 1.00 0.08 C -ATOM 18 OD1 ASN A 2 51.963 -7.709 30.034 1.00 0.08 O -ATOM 19 ND2 ASN A 2 49.803 -7.490 30.614 1.00 0.08 N -ATOM 20 N GLY A 3 51.852 -2.565 31.430 1.00 0.07 N -ATOM 21 CA GLY A 3 52.066 -1.173 31.079 1.00 0.07 C -ATOM 22 C GLY A 3 52.411 -0.330 32.284 1.00 0.07 C -ATOM 23 O GLY A 3 52.493 -0.830 33.401 1.00 0.07 O -ATOM 24 N THR A 4 52.612 0.959 32.058 1.00 0.19 N -ATOM 25 CA THR A 4 52.934 1.847 33.150 1.00 0.19 C -ATOM 26 C THR A 4 51.822 2.840 33.331 1.00 0.19 C -ATOM 27 O THR A 4 51.792 3.855 32.649 1.00 0.19 O -ATOM 28 CB THR A 4 54.234 2.605 32.893 1.00 0.19 C -ATOM 29 OG1 THR A 4 55.307 1.673 32.708 1.00 0.19 O -ATOM 30 CG2 THR A 4 54.550 3.501 34.066 1.00 0.19 C -ATOM 31 N GLU A 5 50.892 2.538 34.230 1.00 0.02 N -ATOM 32 CA GLU A 5 49.806 3.456 34.501 1.00 0.02 C -ATOM 33 C GLU A 5 50.366 4.630 35.284 1.00 0.02 C -ATOM 34 O GLU A 5 51.260 4.459 36.117 1.00 0.02 O -ATOM 35 CB GLU A 5 48.692 2.777 35.311 1.00 0.02 C -ATOM 36 CG GLU A 5 47.593 3.735 35.718 1.00 0.02 C -ATOM 37 CD GLU A 5 46.549 3.105 36.608 1.00 0.02 C -ATOM 38 OE1 GLU A 5 46.928 2.306 37.491 1.00 0.02 O -ATOM 39 OE2 GLU A 5 45.349 3.422 36.446 1.00 0.02 O -ATOM 40 N GLY A 6 49.862 5.825 34.990 1.00 0.36 N -ATOM 41 CA GLY A 6 50.272 7.030 35.685 1.00 0.36 C -ATOM 42 C GLY A 6 48.999 7.650 36.225 1.00 0.36 C -ATOM 43 O GLY A 6 47.890 7.161 35.969 1.00 0.36 O -ATOM 44 N PRO A 7 49.108 8.730 36.986 1.00 0.40 N -ATOM 45 CA PRO A 7 47.863 9.320 37.505 1.00 0.40 C -ATOM 46 C PRO A 7 47.119 10.088 36.431 1.00 0.40 C -ATOM 47 O PRO A 7 45.931 10.411 36.548 1.00 0.40 O -ATOM 48 CB PRO A 7 48.370 10.237 38.618 1.00 0.40 C -ATOM 49 CG PRO A 7 49.761 10.634 38.120 1.00 0.40 C -ATOM 50 CD PRO A 7 50.312 9.369 37.548 1.00 0.40 C -ATOM 51 N ASN A 8 47.841 10.286 35.344 1.00 0.19 N -ATOM 52 CA ASN A 8 47.426 11.107 34.234 1.00 0.19 C -ATOM 53 C ASN A 8 47.567 10.424 32.892 1.00 0.19 C -ATOM 54 O ASN A 8 47.100 10.977 31.880 1.00 0.19 O -ATOM 55 CB ASN A 8 48.379 12.268 34.238 1.00 0.19 C -ATOM 56 CG ASN A 8 47.731 13.509 33.908 1.00 0.19 C -ATOM 57 OD1 ASN A 8 48.398 14.520 33.753 1.00 0.19 O -ATOM 58 ND2 ASN A 8 46.399 13.482 33.800 1.00 0.19 N -ATOM 59 N PHE A 9 48.231 9.266 32.874 1.00 0.48 N -ATOM 60 CA PHE A 9 48.540 8.536 31.639 1.00 0.48 C -ATOM 61 C PHE A 9 48.580 7.025 31.835 1.00 0.48 C -ATOM 62 O PHE A 9 48.221 6.505 32.882 1.00 0.48 O -ATOM 63 CB PHE A 9 49.918 8.966 31.158 1.00 0.48 C -ATOM 64 CG PHE A 9 51.008 8.757 32.190 1.00 0.48 C -ATOM 65 CD1 PHE A 9 51.316 9.755 33.112 1.00 0.48 C -ATOM 66 CD2 PHE A 9 51.703 7.551 32.256 1.00 0.48 C -ATOM 67 CE1 PHE A 9 52.306 9.555 34.090 1.00 0.48 C -ATOM 68 CE2 PHE A 9 52.692 7.343 33.228 1.00 0.48 C -ATOM 69 CZ PHE A 9 52.993 8.348 34.146 1.00 0.48 C -ATOM 70 N TYR A 10 49.050 6.338 30.797 1.00 0.22 N -ATOM 71 CA TYR A 10 49.199 4.888 30.789 1.00 0.22 C -ATOM 72 C TYR A 10 50.099 4.537 29.625 1.00 0.22 C -ATOM 73 O TYR A 10 49.626 4.418 28.500 1.00 0.22 O -ATOM 74 CB TYR A 10 47.841 4.184 30.619 1.00 0.22 C -ATOM 75 CG TYR A 10 47.953 2.680 30.679 1.00 0.22 C -ATOM 76 CD1 TYR A 10 48.026 2.018 31.909 1.00 0.22 C -ATOM 77 CD2 TYR A 10 48.070 1.917 29.510 1.00 0.22 C -ATOM 78 CE1 TYR A 10 48.216 0.634 31.976 1.00 0.22 C -ATOM 79 CE2 TYR A 10 48.259 0.537 29.568 1.00 0.22 C -ATOM 80 CZ TYR A 10 48.330 -0.093 30.806 1.00 0.22 C -ATOM 81 OH TYR A 10 48.496 -1.451 30.889 1.00 0.22 O -ATOM 82 N VAL A 11 51.395 4.393 29.871 1.00 0.15 N -ATOM 83 CA VAL A 11 52.287 4.053 28.779 1.00 0.15 C -ATOM 84 C VAL A 11 52.197 2.565 28.521 1.00 0.15 C -ATOM 85 O VAL A 11 52.307 1.777 29.448 1.00 0.15 O -ATOM 86 CB VAL A 11 53.758 4.442 29.079 1.00 0.15 C -ATOM 87 CG1 VAL A 11 54.618 4.187 27.848 1.00 0.15 C -ATOM 88 CG2 VAL A 11 53.847 5.904 29.466 1.00 0.15 C +ATOM 4 N MET A 1 53.284 -5.731 35.670 1.00 2.60 N +ATOM 5 CA MET A 1 52.214 -5.077 34.913 1.00 2.60 C +ATOM 6 C MET A 1 52.674 -4.891 33.485 1.00 2.60 C +ATOM 7 O MET A 1 53.849 -4.563 33.283 1.00 2.60 O +ATOM 8 CB MET A 1 51.887 -3.719 35.536 1.00 2.60 C +ATOM 9 CG MET A 1 51.426 -3.792 36.982 1.00 2.60 C +ATOM 10 SD MET A 1 49.945 -4.797 37.183 1.00 2.60 S +ATOM 11 CE MET A 1 48.647 -3.745 36.534 1.00 2.60 C +ATOM 12 N ASN A 2 51.781 -5.083 32.508 1.00 3.58 N +ATOM 13 CA ASN A 2 52.150 -4.950 31.087 1.00 3.58 C +ATOM 14 C ASN A 2 52.395 -3.519 30.683 1.00 3.58 C +ATOM 15 O ASN A 2 53.065 -3.284 29.678 1.00 3.58 O +ATOM 16 CB ASN A 2 51.073 -5.523 30.174 1.00 3.58 C +ATOM 17 CG ASN A 2 50.985 -7.005 30.265 1.00 3.58 C +ATOM 18 OD1 ASN A 2 51.963 -7.709 30.034 1.00 3.58 O +ATOM 19 ND2 ASN A 2 49.803 -7.490 30.614 1.00 3.58 N +ATOM 20 N GLY A 3 51.852 -2.565 31.430 1.00 0.00 N +ATOM 21 CA GLY A 3 52.066 -1.173 31.079 1.00 0.00 C +ATOM 22 C GLY A 3 52.411 -0.330 32.284 1.00 0.00 C +ATOM 23 O GLY A 3 52.493 -0.830 33.401 1.00 0.00 O +ATOM 24 N THR A 4 52.612 0.959 32.058 1.00 0.00 N +ATOM 25 CA THR A 4 52.934 1.847 33.150 1.00 0.00 C +ATOM 26 C THR A 4 51.822 2.840 33.331 1.00 0.00 C +ATOM 27 O THR A 4 51.792 3.855 32.649 1.00 0.00 O +ATOM 28 CB THR A 4 54.234 2.605 32.893 1.00 0.00 C +ATOM 29 OG1 THR A 4 55.307 1.673 32.708 1.00 0.00 O +ATOM 30 CG2 THR A 4 54.550 3.501 34.066 1.00 0.00 C +ATOM 31 N GLU A 5 50.892 2.538 34.230 1.00 0.00 N +ATOM 32 CA GLU A 5 49.806 3.456 34.501 1.00 0.00 C +ATOM 33 C GLU A 5 50.366 4.630 35.284 1.00 0.00 C +ATOM 34 O GLU A 5 51.260 4.459 36.117 1.00 0.00 O +ATOM 35 CB GLU A 5 48.692 2.777 35.311 1.00 0.00 C +ATOM 36 CG GLU A 5 47.593 3.735 35.718 1.00 0.00 C +ATOM 37 CD GLU A 5 46.549 3.105 36.608 1.00 0.00 C +ATOM 38 OE1 GLU A 5 46.928 2.306 37.491 1.00 0.00 O +ATOM 39 OE2 GLU A 5 45.349 3.422 36.446 1.00 0.00 O +ATOM 40 N GLY A 6 49.862 5.825 34.990 1.00 0.00 N +ATOM 41 CA GLY A 6 50.272 7.030 35.685 1.00 0.00 C +ATOM 42 C GLY A 6 48.999 7.650 36.225 1.00 0.00 C +ATOM 43 O GLY A 6 47.890 7.161 35.969 1.00 0.00 O +ATOM 44 N PRO A 7 49.108 8.730 36.986 1.00 2.59 N +ATOM 45 CA PRO A 7 47.863 9.320 37.505 1.00 2.59 C +ATOM 46 C PRO A 7 47.119 10.088 36.431 1.00 2.59 C +ATOM 47 O PRO A 7 45.931 10.411 36.548 1.00 2.59 O +ATOM 48 CB PRO A 7 48.370 10.237 38.618 1.00 2.59 C +ATOM 49 CG PRO A 7 49.761 10.634 38.120 1.00 2.59 C +ATOM 50 CD PRO A 7 50.312 9.369 37.548 1.00 2.59 C +ATOM 51 N ASN A 8 47.841 10.286 35.344 1.00 0.00 N +ATOM 52 CA ASN A 8 47.426 11.107 34.234 1.00 0.00 C +ATOM 53 C ASN A 8 47.567 10.424 32.892 1.00 0.00 C +ATOM 54 O ASN A 8 47.100 10.977 31.880 1.00 0.00 O +ATOM 55 CB ASN A 8 48.379 12.268 34.238 1.00 0.00 C +ATOM 56 CG ASN A 8 47.731 13.509 33.908 1.00 0.00 C +ATOM 57 OD1 ASN A 8 48.398 14.520 33.753 1.00 0.00 O +ATOM 58 ND2 ASN A 8 46.399 13.482 33.800 1.00 0.00 N +ATOM 59 N PHE A 9 48.231 9.266 32.874 1.00 0.00 N +ATOM 60 CA PHE A 9 48.540 8.536 31.639 1.00 0.00 C +ATOM 61 C PHE A 9 48.580 7.025 31.835 1.00 0.00 C +ATOM 62 O PHE A 9 48.221 6.505 32.882 1.00 0.00 O +ATOM 63 CB PHE A 9 49.918 8.966 31.158 1.00 0.00 C +ATOM 64 CG PHE A 9 51.008 8.757 32.190 1.00 0.00 C +ATOM 65 CD1 PHE A 9 51.316 9.755 33.112 1.00 0.00 C +ATOM 66 CD2 PHE A 9 51.703 7.551 32.256 1.00 0.00 C +ATOM 67 CE1 PHE A 9 52.306 9.555 34.090 1.00 0.00 C +ATOM 68 CE2 PHE A 9 52.692 7.343 33.228 1.00 0.00 C +ATOM 69 CZ PHE A 9 52.993 8.348 34.146 1.00 0.00 C +ATOM 70 N TYR A 10 49.050 6.338 30.797 1.00 0.00 N +ATOM 71 CA TYR A 10 49.199 4.888 30.789 1.00 0.00 C +ATOM 72 C TYR A 10 50.099 4.537 29.625 1.00 0.00 C +ATOM 73 O TYR A 10 49.626 4.418 28.500 1.00 0.00 O +ATOM 74 CB TYR A 10 47.841 4.184 30.619 1.00 0.00 C +ATOM 75 CG TYR A 10 47.953 2.680 30.679 1.00 0.00 C +ATOM 76 CD1 TYR A 10 48.026 2.018 31.909 1.00 0.00 C +ATOM 77 CD2 TYR A 10 48.070 1.917 29.510 1.00 0.00 C +ATOM 78 CE1 TYR A 10 48.216 0.634 31.976 1.00 0.00 C +ATOM 79 CE2 TYR A 10 48.259 0.537 29.568 1.00 0.00 C +ATOM 80 CZ TYR A 10 48.330 -0.093 30.806 1.00 0.00 C +ATOM 81 OH TYR A 10 48.496 -1.451 30.889 1.00 0.00 O +ATOM 82 N VAL A 11 51.395 4.393 29.871 1.00 0.42 N +ATOM 83 CA VAL A 11 52.287 4.053 28.779 1.00 0.42 C +ATOM 84 C VAL A 11 52.197 2.565 28.521 1.00 0.42 C +ATOM 85 O VAL A 11 52.307 1.777 29.448 1.00 0.42 O +ATOM 86 CB VAL A 11 53.758 4.442 29.079 1.00 0.42 C +ATOM 87 CG1 VAL A 11 54.618 4.187 27.848 1.00 0.42 C +ATOM 88 CG2 VAL A 11 53.847 5.904 29.466 1.00 0.42 C ATOM 89 N PRO A 12 51.963 2.171 27.257 1.00 0.00 N ATOM 90 CA PRO A 12 51.848 0.771 26.838 1.00 0.00 C ATOM 91 C PRO A 12 53.239 0.155 26.770 1.00 0.00 C @@ -769,58 +769,58 @@ ATOM 92 O PRO A 12 53.647 -0.401 25.736 1.00 0.00 O ATOM 93 CB PRO A 12 51.162 0.889 25.474 1.00 0.00 C ATOM 94 CG PRO A 12 51.713 2.158 24.938 1.00 0.00 C ATOM 95 CD PRO A 12 51.725 3.083 26.118 1.00 0.00 C -ATOM 96 N PHE A 13 53.950 0.261 27.891 1.00 0.88 N -ATOM 97 CA PHE A 13 55.333 -0.212 28.016 1.00 0.88 C -ATOM 98 C PHE A 13 55.626 -0.516 29.474 1.00 0.88 C -ATOM 99 O PHE A 13 55.219 0.232 30.362 1.00 0.88 O -ATOM 100 CB PHE A 13 56.288 0.887 27.537 1.00 0.88 C -ATOM 101 CG PHE A 13 57.681 0.418 27.230 1.00 0.88 C -ATOM 102 CD1 PHE A 13 57.982 -0.149 25.984 1.00 0.88 C -ATOM 103 CD2 PHE A 13 58.708 0.603 28.151 1.00 0.88 C -ATOM 104 CE1 PHE A 13 59.290 -0.516 25.652 1.00 0.88 C -ATOM 105 CE2 PHE A 13 60.016 0.241 27.835 1.00 0.88 C -ATOM 106 CZ PHE A 13 60.311 -0.319 26.581 1.00 0.88 C -ATOM 107 N SER A 14 56.354 -1.599 29.707 1.00 0.52 N -ATOM 108 CA SER A 14 56.692 -2.019 31.054 1.00 0.52 C -ATOM 109 C SER A 14 57.785 -1.128 31.617 1.00 0.52 C -ATOM 110 O SER A 14 58.592 -0.602 30.850 1.00 0.52 O -ATOM 111 CB SER A 14 57.167 -3.471 31.024 1.00 0.52 C -ATOM 112 OG SER A 14 57.246 -4.016 32.331 1.00 0.52 O -ATOM 113 N ASN A 15 57.810 -0.956 32.939 1.00 0.92 N -ATOM 114 CA ASN A 15 58.832 -0.135 33.587 1.00 0.92 C -ATOM 115 C ASN A 15 59.731 -1.029 34.442 1.00 0.92 C -ATOM 116 O ASN A 15 60.247 -0.577 35.471 1.00 0.92 O -ATOM 117 CB ASN A 15 58.179 0.945 34.454 1.00 0.92 C -ATOM 118 CG ASN A 15 59.129 2.060 34.782 1.00 0.92 C -ATOM 119 OD1 ASN A 15 59.832 2.525 33.907 1.00 0.92 O -ATOM 120 ND2 ASN A 15 59.162 2.507 36.028 1.00 0.92 N -ATOM 121 N LYS A 16 59.905 -2.287 34.011 1.00 0.16 N -ATOM 122 CA LYS A 16 60.736 -3.271 34.718 1.00 0.16 C -ATOM 123 C LYS A 16 62.155 -2.805 34.704 1.00 0.16 C -ATOM 124 O LYS A 16 62.926 -3.142 35.605 1.00 0.16 O -ATOM 125 CB LYS A 16 60.673 -4.654 34.057 1.00 0.16 C -ATOM 126 CG LYS A 16 61.525 -5.686 34.800 1.00 0.16 C -ATOM 127 CD LYS A 16 61.731 -7.015 34.055 1.00 0.16 C -ATOM 128 CE LYS A 16 62.625 -7.964 34.882 1.00 0.16 C -ATOM 129 NZ LYS A 16 62.719 -9.361 34.344 1.00 0.16 N -ATOM 130 N THR A 17 62.505 -2.039 33.681 1.00 0.08 N -ATOM 131 CA THR A 17 63.848 -1.499 33.561 1.00 0.08 C -ATOM 132 C THR A 17 63.832 -0.043 33.975 1.00 0.08 C -ATOM 133 O THR A 17 64.803 0.688 33.740 1.00 0.08 O -ATOM 134 CB THR A 17 64.328 -1.586 32.141 1.00 0.08 C -ATOM 135 OG1 THR A 17 63.554 -0.691 31.322 1.00 0.08 O -ATOM 136 CG2 THR A 17 64.176 -3.017 31.650 1.00 0.08 C +ATOM 96 N PHE A 13 53.950 0.261 27.891 1.00 0.00 N +ATOM 97 CA PHE A 13 55.333 -0.212 28.016 1.00 0.00 C +ATOM 98 C PHE A 13 55.626 -0.516 29.474 1.00 0.00 C +ATOM 99 O PHE A 13 55.219 0.232 30.362 1.00 0.00 O +ATOM 100 CB PHE A 13 56.288 0.887 27.537 1.00 0.00 C +ATOM 101 CG PHE A 13 57.681 0.418 27.230 1.00 0.00 C +ATOM 102 CD1 PHE A 13 57.982 -0.149 25.984 1.00 0.00 C +ATOM 103 CD2 PHE A 13 58.708 0.603 28.151 1.00 0.00 C +ATOM 104 CE1 PHE A 13 59.290 -0.516 25.652 1.00 0.00 C +ATOM 105 CE2 PHE A 13 60.016 0.241 27.835 1.00 0.00 C +ATOM 106 CZ PHE A 13 60.311 -0.319 26.581 1.00 0.00 C +ATOM 107 N SER A 14 56.354 -1.599 29.707 1.00 0.00 N +ATOM 108 CA SER A 14 56.692 -2.019 31.054 1.00 0.00 C +ATOM 109 C SER A 14 57.785 -1.128 31.617 1.00 0.00 C +ATOM 110 O SER A 14 58.592 -0.602 30.850 1.00 0.00 O +ATOM 111 CB SER A 14 57.167 -3.471 31.024 1.00 0.00 C +ATOM 112 OG SER A 14 57.246 -4.016 32.331 1.00 0.00 O +ATOM 113 N ASN A 15 57.810 -0.956 32.939 1.00 0.00 N +ATOM 114 CA ASN A 15 58.832 -0.135 33.587 1.00 0.00 C +ATOM 115 C ASN A 15 59.731 -1.029 34.442 1.00 0.00 C +ATOM 116 O ASN A 15 60.247 -0.577 35.471 1.00 0.00 O +ATOM 117 CB ASN A 15 58.179 0.945 34.454 1.00 0.00 C +ATOM 118 CG ASN A 15 59.129 2.060 34.782 1.00 0.00 C +ATOM 119 OD1 ASN A 15 59.832 2.525 33.907 1.00 0.00 O +ATOM 120 ND2 ASN A 15 59.162 2.507 36.028 1.00 0.00 N +ATOM 121 N LYS A 16 59.905 -2.287 34.011 1.00 0.00 N +ATOM 122 CA LYS A 16 60.736 -3.271 34.718 1.00 0.00 C +ATOM 123 C LYS A 16 62.155 -2.805 34.704 1.00 0.00 C +ATOM 124 O LYS A 16 62.926 -3.142 35.605 1.00 0.00 O +ATOM 125 CB LYS A 16 60.673 -4.654 34.057 1.00 0.00 C +ATOM 126 CG LYS A 16 61.525 -5.686 34.800 1.00 0.00 C +ATOM 127 CD LYS A 16 61.731 -7.015 34.055 1.00 0.00 C +ATOM 128 CE LYS A 16 62.625 -7.964 34.882 1.00 0.00 C +ATOM 129 NZ LYS A 16 62.719 -9.361 34.344 1.00 0.00 N +ATOM 130 N THR A 17 62.505 -2.039 33.681 1.00 0.00 N +ATOM 131 CA THR A 17 63.848 -1.499 33.561 1.00 0.00 C +ATOM 132 C THR A 17 63.832 -0.043 33.975 1.00 0.00 C +ATOM 133 O THR A 17 64.803 0.688 33.740 1.00 0.00 O +ATOM 134 CB THR A 17 64.328 -1.586 32.141 1.00 0.00 C +ATOM 135 OG1 THR A 17 63.554 -0.691 31.322 1.00 0.00 O +ATOM 136 CG2 THR A 17 64.176 -3.017 31.650 1.00 0.00 C ATOM 137 N GLY A 18 62.723 0.374 34.580 1.00 0.00 N ATOM 138 CA GLY A 18 62.572 1.744 35.044 1.00 0.00 C ATOM 139 C GLY A 18 62.947 2.804 34.031 1.00 0.00 C ATOM 140 O GLY A 18 63.367 3.885 34.408 1.00 0.00 O -ATOM 141 N VAL A 19 62.776 2.495 32.750 1.00 0.04 N -ATOM 142 CA VAL A 19 63.112 3.416 31.681 1.00 0.04 C -ATOM 143 C VAL A 19 61.884 4.252 31.278 1.00 0.04 C -ATOM 144 O VAL A 19 62.037 5.215 30.556 1.00 0.04 O -ATOM 145 CB VAL A 19 63.685 2.624 30.456 1.00 0.04 C -ATOM 146 CG1 VAL A 19 62.599 1.837 29.786 1.00 0.04 C -ATOM 147 CG2 VAL A 19 64.329 3.553 29.470 1.00 0.04 C +ATOM 141 N VAL A 19 62.776 2.495 32.750 1.00 0.00 N +ATOM 142 CA VAL A 19 63.112 3.416 31.681 1.00 0.00 C +ATOM 143 C VAL A 19 61.884 4.252 31.278 1.00 0.00 C +ATOM 144 O VAL A 19 62.037 5.215 30.556 1.00 0.00 O +ATOM 145 CB VAL A 19 63.685 2.624 30.456 1.00 0.00 C +ATOM 146 CG1 VAL A 19 62.599 1.837 29.786 1.00 0.00 C +ATOM 147 CG2 VAL A 19 64.329 3.553 29.470 1.00 0.00 C ATOM 148 N VAL A 20 60.694 3.915 31.768 1.00 0.00 N ATOM 149 CA VAL A 20 59.478 4.646 31.398 1.00 0.00 C ATOM 150 C VAL A 20 59.423 6.007 32.066 1.00 0.00 C @@ -828,202 +828,202 @@ ATOM 151 O VAL A 20 59.819 6.127 33.209 1.00 0.00 O ATOM 152 CB VAL A 20 58.205 3.833 31.756 1.00 0.00 C ATOM 153 CG1 VAL A 20 56.961 4.658 31.467 1.00 0.00 C ATOM 154 CG2 VAL A 20 58.164 2.530 30.955 1.00 0.00 C -ATOM 155 N ARG A 21 58.911 7.015 31.352 1.00 0.38 N -ATOM 156 CA ARG A 21 58.828 8.402 31.848 1.00 0.38 C -ATOM 157 C ARG A 21 57.547 9.106 31.407 1.00 0.38 C -ATOM 158 O ARG A 21 57.187 8.988 30.241 1.00 0.38 O -ATOM 159 CB ARG A 21 60.010 9.191 31.307 1.00 0.38 C -ATOM 160 CG ARG A 21 61.353 8.607 31.683 1.00 0.38 C -ATOM 161 CD ARG A 21 62.197 9.698 32.291 1.00 0.38 C -ATOM 162 NE ARG A 21 61.432 10.420 33.309 1.00 0.38 N -ATOM 163 CZ ARG A 21 61.717 11.653 33.734 1.00 0.38 C -ATOM 164 NH1 ARG A 21 62.763 12.312 33.223 1.00 0.38 N -ATOM 165 NH2 ARG A 21 60.949 12.233 34.666 1.00 0.38 N -ATOM 166 N SER A 22 56.903 9.862 32.305 1.00 0.25 N -ATOM 167 CA SER A 22 55.651 10.597 32.008 1.00 0.25 C -ATOM 168 C SER A 22 55.704 11.282 30.658 1.00 0.25 C -ATOM 169 O SER A 22 56.594 12.087 30.430 1.00 0.25 O -ATOM 170 CB SER A 22 55.389 11.662 33.072 1.00 0.25 C -ATOM 171 OG SER A 22 54.229 12.418 32.757 1.00 0.25 O -ATOM 172 N PRO A 23 54.732 11.009 29.760 1.00 0.01 N -ATOM 173 CA PRO A 23 54.726 11.630 28.430 1.00 0.01 C -ATOM 174 C PRO A 23 54.341 13.082 28.483 1.00 0.01 C -ATOM 175 O PRO A 23 54.016 13.667 27.469 1.00 0.01 O -ATOM 176 CB PRO A 23 53.735 10.777 27.663 1.00 0.01 C -ATOM 177 CG PRO A 23 52.723 10.464 28.702 1.00 0.01 C -ATOM 178 CD PRO A 23 53.532 10.174 29.948 1.00 0.01 C -ATOM 179 N PHE A 24 54.360 13.647 29.686 1.00 0.30 N -ATOM 180 CA PHE A 24 54.078 15.063 29.913 1.00 0.30 C -ATOM 181 C PHE A 24 55.315 15.645 30.541 1.00 0.30 C -ATOM 182 O PHE A 24 55.250 16.738 31.071 1.00 0.30 O -ATOM 183 CB PHE A 24 52.938 15.260 30.909 1.00 0.30 C -ATOM 184 CG PHE A 24 51.590 14.858 30.397 1.00 0.30 C -ATOM 185 CD1 PHE A 24 51.072 15.428 29.239 1.00 0.30 C -ATOM 186 CD2 PHE A 24 50.818 13.943 31.102 1.00 0.30 C -ATOM 187 CE1 PHE A 24 49.808 15.099 28.794 1.00 0.30 C -ATOM 188 CE2 PHE A 24 49.552 13.605 30.665 1.00 0.30 C -ATOM 189 CZ PHE A 24 49.046 14.186 29.508 1.00 0.30 C -ATOM 190 N GLU A 25 56.429 14.918 30.486 1.00 0.56 N -ATOM 191 CA GLU A 25 57.647 15.378 31.113 1.00 0.56 C -ATOM 192 C GLU A 25 58.918 14.995 30.361 1.00 0.56 C -ATOM 193 O GLU A 25 59.924 15.683 30.529 1.00 0.56 O -ATOM 194 CB GLU A 25 57.708 14.825 32.526 1.00 0.56 C -ATOM 195 CG GLU A 25 56.917 15.584 33.548 1.00 0.56 C -ATOM 196 CD GLU A 25 56.531 14.693 34.719 1.00 0.56 C -ATOM 197 OE1 GLU A 25 57.301 13.750 35.062 1.00 0.56 O -ATOM 198 OE2 GLU A 25 55.446 14.935 35.303 1.00 0.56 O -ATOM 199 N ALA A 26 58.924 13.930 29.564 1.00 0.14 N -ATOM 200 CA ALA A 26 60.165 13.571 28.858 1.00 0.14 C -ATOM 201 C ALA A 26 59.896 12.837 27.550 1.00 0.14 C -ATOM 202 O ALA A 26 58.817 12.291 27.380 1.00 0.14 O -ATOM 203 CB ALA A 26 61.046 12.712 29.765 1.00 0.14 C -ATOM 204 N PRO A 27 60.866 12.836 26.606 1.00 0.33 N -ATOM 205 CA PRO A 27 60.715 12.152 25.320 1.00 0.33 C -ATOM 206 C PRO A 27 60.406 10.708 25.576 1.00 0.33 C -ATOM 207 O PRO A 27 60.808 10.194 26.609 1.00 0.33 O -ATOM 208 CB PRO A 27 62.080 12.331 24.674 1.00 0.33 C -ATOM 209 CG PRO A 27 62.468 13.651 25.137 1.00 0.33 C -ATOM 210 CD PRO A 27 62.109 13.619 26.604 1.00 0.33 C -ATOM 211 N GLN A 28 59.715 10.059 24.641 1.00 0.08 N -ATOM 212 CA GLN A 28 59.331 8.658 24.776 1.00 0.08 C -ATOM 213 C GLN A 28 60.120 7.781 23.799 1.00 0.08 C -ATOM 214 O GLN A 28 59.625 6.738 23.392 1.00 0.08 O -ATOM 215 CB GLN A 28 57.828 8.535 24.505 1.00 0.08 C -ATOM 216 CG GLN A 28 56.966 9.492 25.319 1.00 0.08 C -ATOM 217 CD GLN A 28 56.926 9.146 26.804 1.00 0.08 C -ATOM 218 OE1 GLN A 28 56.602 8.027 27.172 1.00 0.08 O -ATOM 219 NE2 GLN A 28 57.247 10.108 27.660 1.00 0.08 N -ATOM 220 N TYR A 29 61.344 8.173 23.459 1.00 0.34 N -ATOM 221 CA TYR A 29 62.138 7.425 22.485 1.00 0.34 C -ATOM 222 C TYR A 29 62.484 6.064 22.939 1.00 0.34 C -ATOM 223 O TYR A 29 63.082 5.310 22.189 1.00 0.34 O -ATOM 224 CB TYR A 29 63.405 8.189 22.124 1.00 0.34 C -ATOM 225 CG TYR A 29 63.067 9.537 21.556 1.00 0.34 C -ATOM 226 CD1 TYR A 29 61.981 9.687 20.703 1.00 0.34 C -ATOM 227 CD2 TYR A 29 63.785 10.669 21.913 1.00 0.34 C -ATOM 228 CE1 TYR A 29 61.609 10.919 20.227 1.00 0.34 C -ATOM 229 CE2 TYR A 29 63.422 11.917 21.435 1.00 0.34 C -ATOM 230 CZ TYR A 29 62.330 12.036 20.592 1.00 0.34 C -ATOM 231 OH TYR A 29 61.960 13.271 20.101 1.00 0.34 O -ATOM 232 N TYR A 30 62.125 5.725 24.159 1.00 4.96 N -ATOM 233 CA TYR A 30 62.433 4.402 24.617 1.00 4.96 C -ATOM 234 C TYR A 30 61.305 3.496 24.187 1.00 4.96 C -ATOM 235 O TYR A 30 61.389 2.304 24.393 1.00 4.96 O -ATOM 236 CB TYR A 30 62.600 4.419 26.136 1.00 4.96 C -ATOM 237 CG TYR A 30 61.363 4.854 26.851 1.00 4.96 C -ATOM 238 CD1 TYR A 30 60.302 3.979 27.005 1.00 4.96 C -ATOM 239 CD2 TYR A 30 61.223 6.153 27.324 1.00 4.96 C -ATOM 240 CE1 TYR A 30 59.129 4.378 27.603 1.00 4.96 C -ATOM 241 CE2 TYR A 30 60.041 6.569 27.936 1.00 4.96 C -ATOM 242 CZ TYR A 30 58.999 5.666 28.066 1.00 4.96 C -ATOM 243 OH TYR A 30 57.805 6.014 28.647 1.00 4.96 O -ATOM 244 N LEU A 31 60.262 4.072 23.589 1.00 0.08 N -ATOM 245 CA LEU A 31 59.087 3.329 23.116 1.00 0.08 C -ATOM 246 C LEU A 31 59.256 2.971 21.676 1.00 0.08 C -ATOM 247 O LEU A 31 58.658 2.005 21.199 1.00 0.08 O -ATOM 248 CB LEU A 31 57.832 4.188 23.165 1.00 0.08 C -ATOM 249 CG LEU A 31 57.191 4.654 24.449 1.00 0.08 C -ATOM 250 CD1 LEU A 31 55.960 5.418 24.083 1.00 0.08 C -ATOM 251 CD2 LEU A 31 56.826 3.480 25.315 1.00 0.08 C -ATOM 252 N ALA A 32 60.037 3.786 20.978 1.00 0.01 N -ATOM 253 CA ALA A 32 60.261 3.617 19.558 1.00 0.01 C -ATOM 254 C ALA A 32 61.471 4.419 19.137 1.00 0.01 C -ATOM 255 O ALA A 32 61.936 5.278 19.885 1.00 0.01 O -ATOM 256 CB ALA A 32 59.030 4.098 18.803 1.00 0.01 C -ATOM 257 N GLU A 33 61.964 4.152 17.932 1.00 0.25 N -ATOM 258 CA GLU A 33 63.119 4.851 17.385 1.00 0.25 C -ATOM 259 C GLU A 33 62.800 6.314 17.187 1.00 0.25 C -ATOM 260 O GLU A 33 61.661 6.665 16.872 1.00 0.25 O -ATOM 261 CB GLU A 33 63.494 4.241 16.045 1.00 0.25 C -ATOM 262 CG GLU A 33 63.499 2.755 16.104 1.00 0.25 C -ATOM 263 CD GLU A 33 64.373 2.274 17.232 1.00 0.25 C -ATOM 264 OE1 GLU A 33 65.610 2.358 17.067 1.00 0.25 O -ATOM 265 OE2 GLU A 33 63.833 1.838 18.285 1.00 0.25 O -ATOM 266 N PRO A 34 63.793 7.197 17.374 1.00 2.18 N -ATOM 267 CA PRO A 34 63.543 8.626 17.189 1.00 2.18 C -ATOM 268 C PRO A 34 63.112 9.007 15.777 1.00 2.18 C -ATOM 269 O PRO A 34 62.327 9.949 15.614 1.00 2.18 O -ATOM 270 CB PRO A 34 64.869 9.251 17.599 1.00 2.18 C -ATOM 271 CG PRO A 34 65.290 8.358 18.716 1.00 2.18 C -ATOM 272 CD PRO A 34 65.045 6.987 18.127 1.00 2.18 C -ATOM 273 N TRP A 35 63.589 8.287 14.765 1.00 0.10 N -ATOM 274 CA TRP A 35 63.213 8.603 13.389 1.00 0.10 C -ATOM 275 C TRP A 35 61.724 8.407 13.166 1.00 0.10 C -ATOM 276 O TRP A 35 61.135 9.090 12.330 1.00 0.10 O -ATOM 277 CB TRP A 35 63.991 7.742 12.390 1.00 0.10 C -ATOM 278 CG TRP A 35 63.684 6.279 12.420 1.00 0.10 C -ATOM 279 CD1 TRP A 35 64.343 5.317 13.124 1.00 0.10 C -ATOM 280 CD2 TRP A 35 62.660 5.605 11.681 1.00 0.10 C -ATOM 281 NE1 TRP A 35 63.798 4.078 12.866 1.00 0.10 N -ATOM 282 CE2 TRP A 35 62.763 4.229 11.983 1.00 0.10 C -ATOM 283 CE3 TRP A 35 61.668 6.030 10.792 1.00 0.10 C -ATOM 284 CZ2 TRP A 35 61.914 3.277 11.428 1.00 0.10 C -ATOM 285 CZ3 TRP A 35 60.822 5.082 10.240 1.00 0.10 C -ATOM 286 CH2 TRP A 35 60.951 3.721 10.560 1.00 0.10 C -ATOM 287 N GLN A 36 61.123 7.482 13.904 1.00 0.82 N -ATOM 288 CA GLN A 36 59.707 7.207 13.778 1.00 0.82 C -ATOM 289 C GLN A 36 58.915 8.385 14.301 1.00 0.82 C -ATOM 290 O GLN A 36 57.848 8.663 13.803 1.00 0.82 O -ATOM 291 CB GLN A 36 59.390 5.919 14.526 1.00 0.82 C -ATOM 292 CG GLN A 36 60.213 4.738 13.997 1.00 0.82 C -ATOM 293 CD GLN A 36 59.927 3.422 14.708 1.00 0.82 C -ATOM 294 OE1 GLN A 36 60.240 3.254 15.883 1.00 0.82 O -ATOM 295 NE2 GLN A 36 59.327 2.480 13.985 1.00 0.82 N -ATOM 296 N PHE A 37 59.426 9.088 15.296 1.00 2.15 N -ATOM 297 CA PHE A 37 58.703 10.249 15.755 1.00 2.15 C -ATOM 298 C PHE A 37 58.813 11.294 14.690 1.00 2.15 C -ATOM 299 O PHE A 37 57.878 12.051 14.491 1.00 2.15 O -ATOM 300 CB PHE A 37 59.285 10.795 17.038 1.00 2.15 C -ATOM 301 CG PHE A 37 58.918 10.006 18.239 1.00 2.15 C -ATOM 302 CD1 PHE A 37 59.589 8.841 18.553 1.00 2.15 C -ATOM 303 CD2 PHE A 37 57.881 10.413 19.053 1.00 2.15 C -ATOM 304 CE1 PHE A 37 59.228 8.093 19.664 1.00 2.15 C -ATOM 305 CE2 PHE A 37 57.515 9.676 20.159 1.00 2.15 C -ATOM 306 CZ PHE A 37 58.186 8.519 20.466 1.00 2.15 C -ATOM 307 N SER A 38 59.958 11.336 14.007 1.00 1.49 N -ATOM 308 CA SER A 38 60.202 12.297 12.924 1.00 1.49 C -ATOM 309 C SER A 38 59.207 12.064 11.819 1.00 1.49 C -ATOM 310 O SER A 38 58.798 12.997 11.127 1.00 1.49 O -ATOM 311 CB SER A 38 61.613 12.116 12.372 1.00 1.49 C -ATOM 312 OG SER A 38 62.578 12.342 13.381 1.00 1.49 O -ATOM 313 N MET A 39 58.852 10.797 11.652 1.00 0.01 N -ATOM 314 CA MET A 39 57.880 10.365 10.672 1.00 0.01 C -ATOM 315 C MET A 39 56.569 11.008 11.016 1.00 0.01 C -ATOM 316 O MET A 39 55.965 11.657 10.169 1.00 0.01 O -ATOM 317 CB MET A 39 57.726 8.857 10.749 1.00 0.01 C -ATOM 318 CG MET A 39 58.821 8.082 10.078 1.00 0.01 C -ATOM 319 SD MET A 39 58.428 7.998 8.334 1.00 0.01 S -ATOM 320 CE MET A 39 59.203 9.645 7.679 1.00 0.01 C -ATOM 321 N LEU A 40 56.126 10.812 12.256 1.00 0.00 N -ATOM 322 CA LEU A 40 54.883 11.397 12.726 1.00 0.00 C -ATOM 323 C LEU A 40 54.941 12.869 12.486 1.00 0.00 C -ATOM 324 O LEU A 40 53.994 13.427 11.947 1.00 0.00 O -ATOM 325 CB LEU A 40 54.710 11.156 14.218 1.00 0.00 C -ATOM 326 CG LEU A 40 54.629 9.703 14.663 1.00 0.00 C -ATOM 327 CD1 LEU A 40 54.509 9.621 16.174 1.00 0.00 C -ATOM 328 CD2 LEU A 40 53.443 9.071 13.996 1.00 0.00 C -ATOM 329 N ALA A 41 56.058 13.490 12.869 1.00 0.13 N -ATOM 330 CA ALA A 41 56.248 14.930 12.709 1.00 0.13 C -ATOM 331 C ALA A 41 56.185 15.316 11.245 1.00 0.13 C -ATOM 332 O ALA A 41 55.431 16.217 10.886 1.00 0.13 O -ATOM 333 CB ALA A 41 57.568 15.358 13.316 1.00 0.13 C -ATOM 334 N ALA A 42 56.970 14.655 10.401 1.00 2.71 N -ATOM 335 CA ALA A 42 56.963 14.953 8.971 1.00 2.71 C -ATOM 336 C ALA A 42 55.532 14.826 8.451 1.00 2.71 C -ATOM 337 O ALA A 42 55.035 15.692 7.747 1.00 2.71 O -ATOM 338 CB ALA A 42 57.867 13.978 8.243 1.00 2.71 C -ATOM 339 N TYR A 43 54.882 13.732 8.821 1.00 1.58 N -ATOM 340 CA TYR A 43 53.511 13.441 8.435 1.00 1.58 C -ATOM 341 C TYR A 43 52.536 14.547 8.875 1.00 1.58 C -ATOM 342 O TYR A 43 51.799 15.103 8.040 1.00 1.58 O -ATOM 343 CB TYR A 43 53.117 12.121 9.067 1.00 1.58 C -ATOM 344 CG TYR A 43 51.668 11.756 8.935 1.00 1.58 C -ATOM 345 CD1 TYR A 43 51.130 11.391 7.712 1.00 1.58 C -ATOM 346 CD2 TYR A 43 50.857 11.683 10.058 1.00 1.58 C -ATOM 347 CE1 TYR A 43 49.820 10.941 7.616 1.00 1.58 C -ATOM 348 CE2 TYR A 43 49.551 11.243 9.982 1.00 1.58 C -ATOM 349 CZ TYR A 43 49.039 10.862 8.762 1.00 1.58 C -ATOM 350 OH TYR A 43 47.766 10.328 8.707 1.00 1.58 O +ATOM 155 N ARG A 21 58.911 7.015 31.352 1.00 0.00 N +ATOM 156 CA ARG A 21 58.828 8.402 31.848 1.00 0.00 C +ATOM 157 C ARG A 21 57.547 9.106 31.407 1.00 0.00 C +ATOM 158 O ARG A 21 57.187 8.988 30.241 1.00 0.00 O +ATOM 159 CB ARG A 21 60.010 9.191 31.307 1.00 0.00 C +ATOM 160 CG ARG A 21 61.353 8.607 31.683 1.00 0.00 C +ATOM 161 CD ARG A 21 62.197 9.698 32.291 1.00 0.00 C +ATOM 162 NE ARG A 21 61.432 10.420 33.309 1.00 0.00 N +ATOM 163 CZ ARG A 21 61.717 11.653 33.734 1.00 0.00 C +ATOM 164 NH1 ARG A 21 62.763 12.312 33.223 1.00 0.00 N +ATOM 165 NH2 ARG A 21 60.949 12.233 34.666 1.00 0.00 N +ATOM 166 N SER A 22 56.903 9.862 32.305 1.00 0.00 N +ATOM 167 CA SER A 22 55.651 10.597 32.008 1.00 0.00 C +ATOM 168 C SER A 22 55.704 11.282 30.658 1.00 0.00 C +ATOM 169 O SER A 22 56.594 12.087 30.430 1.00 0.00 O +ATOM 170 CB SER A 22 55.389 11.662 33.072 1.00 0.00 C +ATOM 171 OG SER A 22 54.229 12.418 32.757 1.00 0.00 O +ATOM 172 N PRO A 23 54.732 11.009 29.760 1.00 0.00 N +ATOM 173 CA PRO A 23 54.726 11.630 28.430 1.00 0.00 C +ATOM 174 C PRO A 23 54.341 13.082 28.483 1.00 0.00 C +ATOM 175 O PRO A 23 54.016 13.667 27.469 1.00 0.00 O +ATOM 176 CB PRO A 23 53.735 10.777 27.663 1.00 0.00 C +ATOM 177 CG PRO A 23 52.723 10.464 28.702 1.00 0.00 C +ATOM 178 CD PRO A 23 53.532 10.174 29.948 1.00 0.00 C +ATOM 179 N PHE A 24 54.360 13.647 29.686 1.00 0.00 N +ATOM 180 CA PHE A 24 54.078 15.063 29.913 1.00 0.00 C +ATOM 181 C PHE A 24 55.315 15.645 30.541 1.00 0.00 C +ATOM 182 O PHE A 24 55.250 16.738 31.071 1.00 0.00 O +ATOM 183 CB PHE A 24 52.938 15.260 30.909 1.00 0.00 C +ATOM 184 CG PHE A 24 51.590 14.858 30.397 1.00 0.00 C +ATOM 185 CD1 PHE A 24 51.072 15.428 29.239 1.00 0.00 C +ATOM 186 CD2 PHE A 24 50.818 13.943 31.102 1.00 0.00 C +ATOM 187 CE1 PHE A 24 49.808 15.099 28.794 1.00 0.00 C +ATOM 188 CE2 PHE A 24 49.552 13.605 30.665 1.00 0.00 C +ATOM 189 CZ PHE A 24 49.046 14.186 29.508 1.00 0.00 C +ATOM 190 N GLU A 25 56.429 14.918 30.486 1.00 0.00 N +ATOM 191 CA GLU A 25 57.647 15.378 31.113 1.00 0.00 C +ATOM 192 C GLU A 25 58.918 14.995 30.361 1.00 0.00 C +ATOM 193 O GLU A 25 59.924 15.683 30.529 1.00 0.00 O +ATOM 194 CB GLU A 25 57.708 14.825 32.526 1.00 0.00 C +ATOM 195 CG GLU A 25 56.917 15.584 33.548 1.00 0.00 C +ATOM 196 CD GLU A 25 56.531 14.693 34.719 1.00 0.00 C +ATOM 197 OE1 GLU A 25 57.301 13.750 35.062 1.00 0.00 O +ATOM 198 OE2 GLU A 25 55.446 14.935 35.303 1.00 0.00 O +ATOM 199 N ALA A 26 58.924 13.930 29.564 1.00 0.00 N +ATOM 200 CA ALA A 26 60.165 13.571 28.858 1.00 0.00 C +ATOM 201 C ALA A 26 59.896 12.837 27.550 1.00 0.00 C +ATOM 202 O ALA A 26 58.817 12.291 27.380 1.00 0.00 O +ATOM 203 CB ALA A 26 61.046 12.712 29.765 1.00 0.00 C +ATOM 204 N PRO A 27 60.866 12.836 26.606 1.00 0.00 N +ATOM 205 CA PRO A 27 60.715 12.152 25.320 1.00 0.00 C +ATOM 206 C PRO A 27 60.406 10.708 25.576 1.00 0.00 C +ATOM 207 O PRO A 27 60.808 10.194 26.609 1.00 0.00 O +ATOM 208 CB PRO A 27 62.080 12.331 24.674 1.00 0.00 C +ATOM 209 CG PRO A 27 62.468 13.651 25.137 1.00 0.00 C +ATOM 210 CD PRO A 27 62.109 13.619 26.604 1.00 0.00 C +ATOM 211 N GLN A 28 59.715 10.059 24.641 1.00 0.00 N +ATOM 212 CA GLN A 28 59.331 8.658 24.776 1.00 0.00 C +ATOM 213 C GLN A 28 60.120 7.781 23.799 1.00 0.00 C +ATOM 214 O GLN A 28 59.625 6.738 23.392 1.00 0.00 O +ATOM 215 CB GLN A 28 57.828 8.535 24.505 1.00 0.00 C +ATOM 216 CG GLN A 28 56.966 9.492 25.319 1.00 0.00 C +ATOM 217 CD GLN A 28 56.926 9.146 26.804 1.00 0.00 C +ATOM 218 OE1 GLN A 28 56.602 8.027 27.172 1.00 0.00 O +ATOM 219 NE2 GLN A 28 57.247 10.108 27.660 1.00 0.00 N +ATOM 220 N TYR A 29 61.344 8.173 23.459 1.00 0.00 N +ATOM 221 CA TYR A 29 62.138 7.425 22.485 1.00 0.00 C +ATOM 222 C TYR A 29 62.484 6.064 22.939 1.00 0.00 C +ATOM 223 O TYR A 29 63.082 5.310 22.189 1.00 0.00 O +ATOM 224 CB TYR A 29 63.405 8.189 22.124 1.00 0.00 C +ATOM 225 CG TYR A 29 63.067 9.537 21.556 1.00 0.00 C +ATOM 226 CD1 TYR A 29 61.981 9.687 20.703 1.00 0.00 C +ATOM 227 CD2 TYR A 29 63.785 10.669 21.913 1.00 0.00 C +ATOM 228 CE1 TYR A 29 61.609 10.919 20.227 1.00 0.00 C +ATOM 229 CE2 TYR A 29 63.422 11.917 21.435 1.00 0.00 C +ATOM 230 CZ TYR A 29 62.330 12.036 20.592 1.00 0.00 C +ATOM 231 OH TYR A 29 61.960 13.271 20.101 1.00 0.00 O +ATOM 232 N TYR A 30 62.125 5.725 24.159 1.00 12.43 N +ATOM 233 CA TYR A 30 62.433 4.402 24.617 1.00 12.43 C +ATOM 234 C TYR A 30 61.305 3.496 24.187 1.00 12.43 C +ATOM 235 O TYR A 30 61.389 2.304 24.393 1.00 12.43 O +ATOM 236 CB TYR A 30 62.600 4.419 26.136 1.00 12.43 C +ATOM 237 CG TYR A 30 61.363 4.854 26.851 1.00 12.43 C +ATOM 238 CD1 TYR A 30 60.302 3.979 27.005 1.00 12.43 C +ATOM 239 CD2 TYR A 30 61.223 6.153 27.324 1.00 12.43 C +ATOM 240 CE1 TYR A 30 59.129 4.378 27.603 1.00 12.43 C +ATOM 241 CE2 TYR A 30 60.041 6.569 27.936 1.00 12.43 C +ATOM 242 CZ TYR A 30 58.999 5.666 28.066 1.00 12.43 C +ATOM 243 OH TYR A 30 57.805 6.014 28.647 1.00 12.43 O +ATOM 244 N LEU A 31 60.262 4.072 23.589 1.00 0.00 N +ATOM 245 CA LEU A 31 59.087 3.329 23.116 1.00 0.00 C +ATOM 246 C LEU A 31 59.256 2.971 21.676 1.00 0.00 C +ATOM 247 O LEU A 31 58.658 2.005 21.199 1.00 0.00 O +ATOM 248 CB LEU A 31 57.832 4.188 23.165 1.00 0.00 C +ATOM 249 CG LEU A 31 57.191 4.654 24.449 1.00 0.00 C +ATOM 250 CD1 LEU A 31 55.960 5.418 24.083 1.00 0.00 C +ATOM 251 CD2 LEU A 31 56.826 3.480 25.315 1.00 0.00 C +ATOM 252 N ALA A 32 60.037 3.786 20.978 1.00 0.00 N +ATOM 253 CA ALA A 32 60.261 3.617 19.558 1.00 0.00 C +ATOM 254 C ALA A 32 61.471 4.419 19.137 1.00 0.00 C +ATOM 255 O ALA A 32 61.936 5.278 19.885 1.00 0.00 O +ATOM 256 CB ALA A 32 59.030 4.098 18.803 1.00 0.00 C +ATOM 257 N GLU A 33 61.964 4.152 17.932 1.00 0.00 N +ATOM 258 CA GLU A 33 63.119 4.851 17.385 1.00 0.00 C +ATOM 259 C GLU A 33 62.800 6.314 17.187 1.00 0.00 C +ATOM 260 O GLU A 33 61.661 6.665 16.872 1.00 0.00 O +ATOM 261 CB GLU A 33 63.494 4.241 16.045 1.00 0.00 C +ATOM 262 CG GLU A 33 63.499 2.755 16.104 1.00 0.00 C +ATOM 263 CD GLU A 33 64.373 2.274 17.232 1.00 0.00 C +ATOM 264 OE1 GLU A 33 65.610 2.358 17.067 1.00 0.00 O +ATOM 265 OE2 GLU A 33 63.833 1.838 18.285 1.00 0.00 O +ATOM 266 N PRO A 34 63.793 7.197 17.374 1.00 0.00 N +ATOM 267 CA PRO A 34 63.543 8.626 17.189 1.00 0.00 C +ATOM 268 C PRO A 34 63.112 9.007 15.777 1.00 0.00 C +ATOM 269 O PRO A 34 62.327 9.949 15.614 1.00 0.00 O +ATOM 270 CB PRO A 34 64.869 9.251 17.599 1.00 0.00 C +ATOM 271 CG PRO A 34 65.290 8.358 18.716 1.00 0.00 C +ATOM 272 CD PRO A 34 65.045 6.987 18.127 1.00 0.00 C +ATOM 273 N TRP A 35 63.589 8.287 14.765 1.00 0.00 N +ATOM 274 CA TRP A 35 63.213 8.603 13.389 1.00 0.00 C +ATOM 275 C TRP A 35 61.724 8.407 13.166 1.00 0.00 C +ATOM 276 O TRP A 35 61.135 9.090 12.330 1.00 0.00 O +ATOM 277 CB TRP A 35 63.991 7.742 12.390 1.00 0.00 C +ATOM 278 CG TRP A 35 63.684 6.279 12.420 1.00 0.00 C +ATOM 279 CD1 TRP A 35 64.343 5.317 13.124 1.00 0.00 C +ATOM 280 CD2 TRP A 35 62.660 5.605 11.681 1.00 0.00 C +ATOM 281 NE1 TRP A 35 63.798 4.078 12.866 1.00 0.00 N +ATOM 282 CE2 TRP A 35 62.763 4.229 11.983 1.00 0.00 C +ATOM 283 CE3 TRP A 35 61.668 6.030 10.792 1.00 0.00 C +ATOM 284 CZ2 TRP A 35 61.914 3.277 11.428 1.00 0.00 C +ATOM 285 CZ3 TRP A 35 60.822 5.082 10.240 1.00 0.00 C +ATOM 286 CH2 TRP A 35 60.951 3.721 10.560 1.00 0.00 C +ATOM 287 N GLN A 36 61.123 7.482 13.904 1.00 0.00 N +ATOM 288 CA GLN A 36 59.707 7.207 13.778 1.00 0.00 C +ATOM 289 C GLN A 36 58.915 8.385 14.301 1.00 0.00 C +ATOM 290 O GLN A 36 57.848 8.663 13.803 1.00 0.00 O +ATOM 291 CB GLN A 36 59.390 5.919 14.526 1.00 0.00 C +ATOM 292 CG GLN A 36 60.213 4.738 13.997 1.00 0.00 C +ATOM 293 CD GLN A 36 59.927 3.422 14.708 1.00 0.00 C +ATOM 294 OE1 GLN A 36 60.240 3.254 15.883 1.00 0.00 O +ATOM 295 NE2 GLN A 36 59.327 2.480 13.985 1.00 0.00 N +ATOM 296 N PHE A 37 59.426 9.088 15.296 1.00 0.00 N +ATOM 297 CA PHE A 37 58.703 10.249 15.755 1.00 0.00 C +ATOM 298 C PHE A 37 58.813 11.294 14.690 1.00 0.00 C +ATOM 299 O PHE A 37 57.878 12.051 14.491 1.00 0.00 O +ATOM 300 CB PHE A 37 59.285 10.795 17.038 1.00 0.00 C +ATOM 301 CG PHE A 37 58.918 10.006 18.239 1.00 0.00 C +ATOM 302 CD1 PHE A 37 59.589 8.841 18.553 1.00 0.00 C +ATOM 303 CD2 PHE A 37 57.881 10.413 19.053 1.00 0.00 C +ATOM 304 CE1 PHE A 37 59.228 8.093 19.664 1.00 0.00 C +ATOM 305 CE2 PHE A 37 57.515 9.676 20.159 1.00 0.00 C +ATOM 306 CZ PHE A 37 58.186 8.519 20.466 1.00 0.00 C +ATOM 307 N SER A 38 59.958 11.336 14.007 1.00 0.00 N +ATOM 308 CA SER A 38 60.202 12.297 12.924 1.00 0.00 C +ATOM 309 C SER A 38 59.207 12.064 11.819 1.00 0.00 C +ATOM 310 O SER A 38 58.798 12.997 11.127 1.00 0.00 O +ATOM 311 CB SER A 38 61.613 12.116 12.372 1.00 0.00 C +ATOM 312 OG SER A 38 62.578 12.342 13.381 1.00 0.00 O +ATOM 313 N MET A 39 58.852 10.797 11.652 1.00 2.33 N +ATOM 314 CA MET A 39 57.880 10.365 10.672 1.00 2.33 C +ATOM 315 C MET A 39 56.569 11.008 11.016 1.00 2.33 C +ATOM 316 O MET A 39 55.965 11.657 10.169 1.00 2.33 O +ATOM 317 CB MET A 39 57.726 8.857 10.749 1.00 2.33 C +ATOM 318 CG MET A 39 58.821 8.082 10.078 1.00 2.33 C +ATOM 319 SD MET A 39 58.428 7.998 8.334 1.00 2.33 S +ATOM 320 CE MET A 39 59.203 9.645 7.679 1.00 2.33 C +ATOM 321 N LEU A 40 56.126 10.812 12.256 1.00 1.64 N +ATOM 322 CA LEU A 40 54.883 11.397 12.726 1.00 1.64 C +ATOM 323 C LEU A 40 54.941 12.869 12.486 1.00 1.64 C +ATOM 324 O LEU A 40 53.994 13.427 11.947 1.00 1.64 O +ATOM 325 CB LEU A 40 54.710 11.156 14.218 1.00 1.64 C +ATOM 326 CG LEU A 40 54.629 9.703 14.663 1.00 1.64 C +ATOM 327 CD1 LEU A 40 54.509 9.621 16.174 1.00 1.64 C +ATOM 328 CD2 LEU A 40 53.443 9.071 13.996 1.00 1.64 C +ATOM 329 N ALA A 41 56.058 13.490 12.869 1.00 0.00 N +ATOM 330 CA ALA A 41 56.248 14.930 12.709 1.00 0.00 C +ATOM 331 C ALA A 41 56.185 15.316 11.245 1.00 0.00 C +ATOM 332 O ALA A 41 55.431 16.217 10.886 1.00 0.00 O +ATOM 333 CB ALA A 41 57.568 15.358 13.316 1.00 0.00 C +ATOM 334 N ALA A 42 56.970 14.655 10.401 1.00 0.00 N +ATOM 335 CA ALA A 42 56.963 14.953 8.971 1.00 0.00 C +ATOM 336 C ALA A 42 55.532 14.826 8.451 1.00 0.00 C +ATOM 337 O ALA A 42 55.035 15.692 7.747 1.00 0.00 O +ATOM 338 CB ALA A 42 57.867 13.978 8.243 1.00 0.00 C +ATOM 339 N TYR A 43 54.882 13.732 8.821 1.00 0.00 N +ATOM 340 CA TYR A 43 53.511 13.441 8.435 1.00 0.00 C +ATOM 341 C TYR A 43 52.536 14.547 8.875 1.00 0.00 C +ATOM 342 O TYR A 43 51.799 15.103 8.040 1.00 0.00 O +ATOM 343 CB TYR A 43 53.117 12.121 9.067 1.00 0.00 C +ATOM 344 CG TYR A 43 51.668 11.756 8.935 1.00 0.00 C +ATOM 345 CD1 TYR A 43 51.130 11.391 7.712 1.00 0.00 C +ATOM 346 CD2 TYR A 43 50.857 11.683 10.058 1.00 0.00 C +ATOM 347 CE1 TYR A 43 49.820 10.941 7.616 1.00 0.00 C +ATOM 348 CE2 TYR A 43 49.551 11.243 9.982 1.00 0.00 C +ATOM 349 CZ TYR A 43 49.039 10.862 8.762 1.00 0.00 C +ATOM 350 OH TYR A 43 47.766 10.328 8.707 1.00 0.00 O ATOM 351 N MET A 44 52.507 14.863 10.169 1.00 0.00 N ATOM 352 CA MET A 44 51.590 15.896 10.653 1.00 0.00 C ATOM 353 C MET A 44 51.838 17.168 9.921 1.00 0.00 C @@ -1032,87 +1032,87 @@ ATOM 355 CB MET A 44 51.761 16.131 12.150 1.00 0.00 C ATOM 356 CG MET A 44 51.219 15.010 13.012 1.00 0.00 C ATOM 357 SD MET A 44 49.615 14.319 12.414 1.00 0.00 S ATOM 358 CE MET A 44 48.565 15.793 12.245 1.00 0.00 C -ATOM 359 N PHE A 45 53.083 17.379 9.532 1.00 0.14 N -ATOM 360 CA PHE A 45 53.430 18.575 8.820 1.00 0.14 C -ATOM 361 C PHE A 45 52.747 18.605 7.457 1.00 0.14 C -ATOM 362 O PHE A 45 52.119 19.616 7.119 1.00 0.14 O -ATOM 363 CB PHE A 45 54.938 18.646 8.638 1.00 0.14 C -ATOM 364 CG PHE A 45 55.374 19.750 7.720 1.00 0.14 C -ATOM 365 CD1 PHE A 45 55.552 21.035 8.197 1.00 0.14 C -ATOM 366 CD2 PHE A 45 55.553 19.511 6.357 1.00 0.14 C -ATOM 367 CE1 PHE A 45 55.899 22.066 7.334 1.00 0.14 C -ATOM 368 CE2 PHE A 45 55.900 20.538 5.485 1.00 0.14 C -ATOM 369 CZ PHE A 45 56.073 21.815 5.970 1.00 0.14 C -ATOM 370 N LEU A 46 52.872 17.524 6.679 1.00 0.03 N -ATOM 371 CA LEU A 46 52.277 17.452 5.333 1.00 0.03 C -ATOM 372 C LEU A 46 50.786 17.547 5.395 1.00 0.03 C -ATOM 373 O LEU A 46 50.198 18.142 4.495 1.00 0.03 O -ATOM 374 CB LEU A 46 52.652 16.157 4.628 1.00 0.03 C -ATOM 375 CG LEU A 46 54.142 15.948 4.372 1.00 0.03 C -ATOM 376 CD1 LEU A 46 54.372 14.584 3.706 1.00 0.03 C -ATOM 377 CD2 LEU A 46 54.659 17.091 3.513 1.00 0.03 C -ATOM 378 N LEU A 47 50.172 16.953 6.425 1.00 0.56 N -ATOM 379 CA LEU A 47 48.713 17.013 6.612 1.00 0.56 C -ATOM 380 C LEU A 47 48.253 18.466 6.861 1.00 0.56 C -ATOM 381 O LEU A 47 47.184 18.866 6.406 1.00 0.56 O -ATOM 382 CB LEU A 47 48.273 16.162 7.815 1.00 0.56 C -ATOM 383 CG LEU A 47 47.751 14.736 7.677 1.00 0.56 C -ATOM 384 CD1 LEU A 47 47.138 14.306 9.018 1.00 0.56 C -ATOM 385 CD2 LEU A 47 46.702 14.664 6.591 1.00 0.56 C -ATOM 386 N ILE A 48 49.035 19.242 7.603 1.00 0.11 N -ATOM 387 CA ILE A 48 48.662 20.616 7.875 1.00 0.11 C -ATOM 388 C ILE A 48 48.820 21.416 6.613 1.00 0.11 C -ATOM 389 O ILE A 48 48.043 22.320 6.372 1.00 0.11 O -ATOM 390 CB ILE A 48 49.530 21.215 8.998 1.00 0.11 C -ATOM 391 CG1 ILE A 48 49.202 20.514 10.317 1.00 0.11 C -ATOM 392 CG2 ILE A 48 49.287 22.706 9.109 1.00 0.11 C -ATOM 393 CD1 ILE A 48 50.081 20.897 11.472 1.00 0.11 C -ATOM 394 N MET A 49 49.799 21.064 5.791 1.00 1.05 N -ATOM 395 CA MET A 49 50.048 21.782 4.544 1.00 1.05 C -ATOM 396 C MET A 49 48.975 21.500 3.491 1.00 1.05 C -ATOM 397 O MET A 49 48.766 22.319 2.593 1.00 1.05 O -ATOM 398 CB MET A 49 51.426 21.407 4.012 1.00 1.05 C -ATOM 399 CG MET A 49 51.777 22.105 2.744 1.00 1.05 C -ATOM 400 SD MET A 49 53.529 22.137 2.566 1.00 1.05 S -ATOM 401 CE MET A 49 53.893 23.393 3.818 1.00 1.05 C -ATOM 402 N LEU A 50 48.315 20.351 3.595 1.00 0.25 N -ATOM 403 CA LEU A 50 47.246 19.952 2.673 1.00 0.25 C -ATOM 404 C LEU A 50 45.904 20.379 3.223 1.00 0.25 C -ATOM 405 O LEU A 50 45.088 20.933 2.507 1.00 0.25 O -ATOM 406 CB LEU A 50 47.220 18.436 2.515 1.00 0.25 C -ATOM 407 CG LEU A 50 47.988 17.804 1.370 1.00 0.25 C -ATOM 408 CD1 LEU A 50 48.027 16.299 1.554 1.00 0.25 C -ATOM 409 CD2 LEU A 50 47.311 18.196 0.064 1.00 0.25 C +ATOM 359 N PHE A 45 53.083 17.379 9.532 1.00 0.00 N +ATOM 360 CA PHE A 45 53.430 18.575 8.820 1.00 0.00 C +ATOM 361 C PHE A 45 52.747 18.605 7.457 1.00 0.00 C +ATOM 362 O PHE A 45 52.119 19.616 7.119 1.00 0.00 O +ATOM 363 CB PHE A 45 54.938 18.646 8.638 1.00 0.00 C +ATOM 364 CG PHE A 45 55.374 19.750 7.720 1.00 0.00 C +ATOM 365 CD1 PHE A 45 55.552 21.035 8.197 1.00 0.00 C +ATOM 366 CD2 PHE A 45 55.553 19.511 6.357 1.00 0.00 C +ATOM 367 CE1 PHE A 45 55.899 22.066 7.334 1.00 0.00 C +ATOM 368 CE2 PHE A 45 55.900 20.538 5.485 1.00 0.00 C +ATOM 369 CZ PHE A 45 56.073 21.815 5.970 1.00 0.00 C +ATOM 370 N LEU A 46 52.872 17.524 6.679 1.00 0.36 N +ATOM 371 CA LEU A 46 52.277 17.452 5.333 1.00 0.36 C +ATOM 372 C LEU A 46 50.786 17.547 5.395 1.00 0.36 C +ATOM 373 O LEU A 46 50.198 18.142 4.495 1.00 0.36 O +ATOM 374 CB LEU A 46 52.652 16.157 4.628 1.00 0.36 C +ATOM 375 CG LEU A 46 54.142 15.948 4.372 1.00 0.36 C +ATOM 376 CD1 LEU A 46 54.372 14.584 3.706 1.00 0.36 C +ATOM 377 CD2 LEU A 46 54.659 17.091 3.513 1.00 0.36 C +ATOM 378 N LEU A 47 50.172 16.953 6.425 1.00 0.00 N +ATOM 379 CA LEU A 47 48.713 17.013 6.612 1.00 0.00 C +ATOM 380 C LEU A 47 48.253 18.466 6.861 1.00 0.00 C +ATOM 381 O LEU A 47 47.184 18.866 6.406 1.00 0.00 O +ATOM 382 CB LEU A 47 48.273 16.162 7.815 1.00 0.00 C +ATOM 383 CG LEU A 47 47.751 14.736 7.677 1.00 0.00 C +ATOM 384 CD1 LEU A 47 47.138 14.306 9.018 1.00 0.00 C +ATOM 385 CD2 LEU A 47 46.702 14.664 6.591 1.00 0.00 C +ATOM 386 N ILE A 48 49.035 19.242 7.603 1.00 0.00 N +ATOM 387 CA ILE A 48 48.662 20.616 7.875 1.00 0.00 C +ATOM 388 C ILE A 48 48.820 21.416 6.613 1.00 0.00 C +ATOM 389 O ILE A 48 48.043 22.320 6.372 1.00 0.00 O +ATOM 390 CB ILE A 48 49.530 21.215 8.998 1.00 0.00 C +ATOM 391 CG1 ILE A 48 49.202 20.514 10.317 1.00 0.00 C +ATOM 392 CG2 ILE A 48 49.287 22.706 9.109 1.00 0.00 C +ATOM 393 CD1 ILE A 48 50.081 20.897 11.472 1.00 0.00 C +ATOM 394 N MET A 49 49.799 21.064 5.791 1.00 0.00 N +ATOM 395 CA MET A 49 50.048 21.782 4.544 1.00 0.00 C +ATOM 396 C MET A 49 48.975 21.500 3.491 1.00 0.00 C +ATOM 397 O MET A 49 48.766 22.319 2.593 1.00 0.00 O +ATOM 398 CB MET A 49 51.426 21.407 4.012 1.00 0.00 C +ATOM 399 CG MET A 49 51.777 22.105 2.744 1.00 0.00 C +ATOM 400 SD MET A 49 53.529 22.137 2.566 1.00 0.00 S +ATOM 401 CE MET A 49 53.893 23.393 3.818 1.00 0.00 C +ATOM 402 N LEU A 50 48.315 20.351 3.595 1.00 0.00 N +ATOM 403 CA LEU A 50 47.246 19.952 2.673 1.00 0.00 C +ATOM 404 C LEU A 50 45.904 20.379 3.223 1.00 0.00 C +ATOM 405 O LEU A 50 45.088 20.933 2.507 1.00 0.00 O +ATOM 406 CB LEU A 50 47.220 18.436 2.515 1.00 0.00 C +ATOM 407 CG LEU A 50 47.988 17.804 1.370 1.00 0.00 C +ATOM 408 CD1 LEU A 50 48.027 16.299 1.554 1.00 0.00 C +ATOM 409 CD2 LEU A 50 47.311 18.196 0.064 1.00 0.00 C ATOM 410 N GLY A 51 45.691 20.102 4.505 1.00 0.00 N ATOM 411 CA GLY A 51 44.435 20.420 5.156 1.00 0.00 C ATOM 412 C GLY A 51 44.049 21.871 5.256 1.00 0.00 C ATOM 413 O GLY A 51 42.870 22.199 5.207 1.00 0.00 O -ATOM 414 N PHE A 52 45.032 22.746 5.412 1.00 0.85 N -ATOM 415 CA PHE A 52 44.713 24.152 5.517 1.00 0.85 C -ATOM 416 C PHE A 52 44.201 24.678 4.186 1.00 0.85 C -ATOM 417 O PHE A 52 43.029 25.083 4.107 1.00 0.85 O -ATOM 418 CB PHE A 52 45.916 24.974 5.976 1.00 0.85 C -ATOM 419 CG PHE A 52 45.694 26.449 5.846 1.00 0.85 C -ATOM 420 CD1 PHE A 52 44.473 27.017 6.255 1.00 0.85 C -ATOM 421 CD2 PHE A 52 46.650 27.264 5.240 1.00 0.85 C -ATOM 422 CE1 PHE A 52 44.200 28.375 6.053 1.00 0.85 C -ATOM 423 CE2 PHE A 52 46.388 28.628 5.031 1.00 0.85 C -ATOM 424 CZ PHE A 52 45.155 29.182 5.438 1.00 0.85 C -ATOM 425 N PRO A 53 45.045 24.669 3.123 1.00 2.16 N -ATOM 426 CA PRO A 53 44.569 25.176 1.829 1.00 2.16 C -ATOM 427 C PRO A 53 43.280 24.546 1.317 1.00 2.16 C -ATOM 428 O PRO A 53 42.361 25.270 0.954 1.00 2.16 O -ATOM 429 CB PRO A 53 45.765 24.937 0.894 1.00 2.16 C -ATOM 430 CG PRO A 53 46.507 23.808 1.528 1.00 2.16 C -ATOM 431 CD PRO A 53 46.424 24.155 3.000 1.00 2.16 C -ATOM 432 N ILE A 54 43.195 23.220 1.313 1.00 0.05 N -ATOM 433 CA ILE A 54 42.011 22.517 0.810 1.00 0.05 C -ATOM 434 C ILE A 54 40.750 22.872 1.563 1.00 0.05 C -ATOM 435 O ILE A 54 39.717 23.037 0.949 1.00 0.05 O -ATOM 436 CB ILE A 54 42.215 20.968 0.850 1.00 0.05 C -ATOM 437 CG1 ILE A 54 43.234 20.555 -0.226 1.00 0.05 C -ATOM 438 CG2 ILE A 54 40.887 20.264 0.639 1.00 0.05 C -ATOM 439 CD1 ILE A 54 43.793 19.149 -0.115 1.00 0.05 C +ATOM 414 N PHE A 52 45.032 22.746 5.412 1.00 0.90 N +ATOM 415 CA PHE A 52 44.713 24.152 5.517 1.00 0.90 C +ATOM 416 C PHE A 52 44.201 24.678 4.186 1.00 0.90 C +ATOM 417 O PHE A 52 43.029 25.083 4.107 1.00 0.90 O +ATOM 418 CB PHE A 52 45.916 24.974 5.976 1.00 0.90 C +ATOM 419 CG PHE A 52 45.694 26.449 5.846 1.00 0.90 C +ATOM 420 CD1 PHE A 52 44.473 27.017 6.255 1.00 0.90 C +ATOM 421 CD2 PHE A 52 46.650 27.264 5.240 1.00 0.90 C +ATOM 422 CE1 PHE A 52 44.200 28.375 6.053 1.00 0.90 C +ATOM 423 CE2 PHE A 52 46.388 28.628 5.031 1.00 0.90 C +ATOM 424 CZ PHE A 52 45.155 29.182 5.438 1.00 0.90 C +ATOM 425 N PRO A 53 45.045 24.669 3.123 1.00 0.00 N +ATOM 426 CA PRO A 53 44.569 25.176 1.829 1.00 0.00 C +ATOM 427 C PRO A 53 43.280 24.546 1.317 1.00 0.00 C +ATOM 428 O PRO A 53 42.361 25.270 0.954 1.00 0.00 O +ATOM 429 CB PRO A 53 45.765 24.937 0.894 1.00 0.00 C +ATOM 430 CG PRO A 53 46.507 23.808 1.528 1.00 0.00 C +ATOM 431 CD PRO A 53 46.424 24.155 3.000 1.00 0.00 C +ATOM 432 N ILE A 54 43.195 23.220 1.313 1.00 0.00 N +ATOM 433 CA ILE A 54 42.011 22.517 0.810 1.00 0.00 C +ATOM 434 C ILE A 54 40.750 22.872 1.563 1.00 0.00 C +ATOM 435 O ILE A 54 39.717 23.037 0.949 1.00 0.00 O +ATOM 436 CB ILE A 54 42.215 20.968 0.850 1.00 0.00 C +ATOM 437 CG1 ILE A 54 43.234 20.555 -0.226 1.00 0.00 C +ATOM 438 CG2 ILE A 54 40.887 20.264 0.639 1.00 0.00 C +ATOM 439 CD1 ILE A 54 43.793 19.149 -0.115 1.00 0.00 C ATOM 440 N ASN A 55 40.829 22.991 2.881 1.00 0.00 N ATOM 441 CA ASN A 55 39.651 23.294 3.669 1.00 0.00 C ATOM 442 C ASN A 55 39.294 24.752 3.612 1.00 0.00 C @@ -1121,25 +1121,25 @@ ATOM 444 CB ASN A 55 39.861 22.838 5.108 1.00 0.00 C ATOM 445 CG ASN A 55 39.597 21.357 5.282 1.00 0.00 C ATOM 446 OD1 ASN A 55 38.467 20.899 5.108 1.00 0.00 O ATOM 447 ND2 ASN A 55 40.635 20.597 5.613 1.00 0.00 N -ATOM 448 N PHE A 56 40.295 25.627 3.561 1.00 0.05 N -ATOM 449 CA PHE A 56 40.019 27.058 3.489 1.00 0.05 C -ATOM 450 C PHE A 56 39.431 27.412 2.119 1.00 0.05 C -ATOM 451 O PHE A 56 38.491 28.211 2.036 1.00 0.05 O -ATOM 452 CB PHE A 56 41.286 27.886 3.718 1.00 0.05 C -ATOM 453 CG PHE A 56 41.034 29.359 3.661 1.00 0.05 C -ATOM 454 CD1 PHE A 56 40.389 30.008 4.713 1.00 0.05 C -ATOM 455 CD2 PHE A 56 41.328 30.088 2.507 1.00 0.05 C -ATOM 456 CE1 PHE A 56 40.034 31.362 4.610 1.00 0.05 C -ATOM 457 CE2 PHE A 56 40.972 31.447 2.395 1.00 0.05 C -ATOM 458 CZ PHE A 56 40.327 32.079 3.441 1.00 0.05 C -ATOM 459 N LEU A 57 39.993 26.829 1.062 1.00 0.11 N -ATOM 460 CA LEU A 57 39.537 27.053 -0.310 1.00 0.11 C -ATOM 461 C LEU A 57 38.080 26.645 -0.409 1.00 0.11 C -ATOM 462 O LEU A 57 37.267 27.389 -0.923 1.00 0.11 O -ATOM 463 CB LEU A 57 40.369 26.204 -1.265 1.00 0.11 C -ATOM 464 CG LEU A 57 40.606 26.676 -2.686 1.00 0.11 C -ATOM 465 CD1 LEU A 57 40.678 25.449 -3.565 1.00 0.11 C -ATOM 466 CD2 LEU A 57 39.489 27.589 -3.143 1.00 0.11 C +ATOM 448 N PHE A 56 40.295 25.627 3.561 1.00 0.00 N +ATOM 449 CA PHE A 56 40.019 27.058 3.489 1.00 0.00 C +ATOM 450 C PHE A 56 39.431 27.412 2.119 1.00 0.00 C +ATOM 451 O PHE A 56 38.491 28.211 2.036 1.00 0.00 O +ATOM 452 CB PHE A 56 41.286 27.886 3.718 1.00 0.00 C +ATOM 453 CG PHE A 56 41.034 29.359 3.661 1.00 0.00 C +ATOM 454 CD1 PHE A 56 40.389 30.008 4.713 1.00 0.00 C +ATOM 455 CD2 PHE A 56 41.328 30.088 2.507 1.00 0.00 C +ATOM 456 CE1 PHE A 56 40.034 31.362 4.610 1.00 0.00 C +ATOM 457 CE2 PHE A 56 40.972 31.447 2.395 1.00 0.00 C +ATOM 458 CZ PHE A 56 40.327 32.079 3.441 1.00 0.00 C +ATOM 459 N LEU A 57 39.993 26.829 1.062 1.00 0.00 N +ATOM 460 CA LEU A 57 39.537 27.053 -0.310 1.00 0.00 C +ATOM 461 C LEU A 57 38.080 26.645 -0.409 1.00 0.00 C +ATOM 462 O LEU A 57 37.267 27.389 -0.923 1.00 0.00 O +ATOM 463 CB LEU A 57 40.369 26.204 -1.265 1.00 0.00 C +ATOM 464 CG LEU A 57 40.606 26.676 -2.686 1.00 0.00 C +ATOM 465 CD1 LEU A 57 40.678 25.449 -3.565 1.00 0.00 C +ATOM 466 CD2 LEU A 57 39.489 27.589 -3.143 1.00 0.00 C ATOM 467 N THR A 58 37.766 25.453 0.087 1.00 0.00 N ATOM 468 CA THR A 58 36.406 24.912 0.098 1.00 0.00 C ATOM 469 C THR A 58 35.471 25.905 0.742 1.00 0.00 C @@ -1155,25 +1155,25 @@ ATOM 478 CB LEU A 59 35.945 27.650 3.935 1.00 0.00 C ATOM 479 CG LEU A 59 35.625 28.919 4.703 1.00 0.00 C ATOM 480 CD1 LEU A 59 34.196 28.872 5.209 1.00 0.00 C ATOM 481 CD2 LEU A 59 36.621 29.034 5.848 1.00 0.00 C -ATOM 482 N TYR A 60 36.022 29.192 1.282 1.00 0.28 N -ATOM 483 CA TYR A 60 35.964 30.433 0.521 1.00 0.28 C -ATOM 484 C TYR A 60 35.049 30.292 -0.682 1.00 0.28 C -ATOM 485 O TYR A 60 34.232 31.165 -0.936 1.00 0.28 O -ATOM 486 CB TYR A 60 37.379 30.824 0.086 1.00 0.28 C -ATOM 487 CG TYR A 60 37.521 32.209 -0.511 1.00 0.28 C -ATOM 488 CD1 TYR A 60 37.026 32.502 -1.783 1.00 0.28 C -ATOM 489 CD2 TYR A 60 38.157 33.233 0.198 1.00 0.28 C -ATOM 490 CE1 TYR A 60 37.162 33.793 -2.339 1.00 0.28 C -ATOM 491 CE2 TYR A 60 38.302 34.527 -0.345 1.00 0.28 C -ATOM 492 CZ TYR A 60 37.799 34.802 -1.611 1.00 0.28 C -ATOM 493 OH TYR A 60 37.912 36.077 -2.139 1.00 0.28 O -ATOM 494 N VAL A 61 35.159 29.204 -1.421 1.00 1.50 N -ATOM 495 CA VAL A 61 34.306 29.048 -2.582 1.00 1.50 C -ATOM 496 C VAL A 61 32.830 29.017 -2.179 1.00 1.50 C -ATOM 497 O VAL A 61 32.022 29.742 -2.754 1.00 1.50 O -ATOM 498 CB VAL A 61 34.676 27.773 -3.369 1.00 1.50 C -ATOM 499 CG1 VAL A 61 33.586 27.446 -4.395 1.00 1.50 C -ATOM 500 CG2 VAL A 61 36.018 27.984 -4.073 1.00 1.50 C +ATOM 482 N TYR A 60 36.022 29.192 1.282 1.00 0.00 N +ATOM 483 CA TYR A 60 35.964 30.433 0.521 1.00 0.00 C +ATOM 484 C TYR A 60 35.049 30.292 -0.682 1.00 0.00 C +ATOM 485 O TYR A 60 34.232 31.165 -0.936 1.00 0.00 O +ATOM 486 CB TYR A 60 37.379 30.824 0.086 1.00 0.00 C +ATOM 487 CG TYR A 60 37.521 32.209 -0.511 1.00 0.00 C +ATOM 488 CD1 TYR A 60 37.026 32.502 -1.783 1.00 0.00 C +ATOM 489 CD2 TYR A 60 38.157 33.233 0.198 1.00 0.00 C +ATOM 490 CE1 TYR A 60 37.162 33.793 -2.339 1.00 0.00 C +ATOM 491 CE2 TYR A 60 38.302 34.527 -0.345 1.00 0.00 C +ATOM 492 CZ TYR A 60 37.799 34.802 -1.611 1.00 0.00 C +ATOM 493 OH TYR A 60 37.912 36.077 -2.139 1.00 0.00 O +ATOM 494 N VAL A 61 35.159 29.204 -1.421 1.00 0.00 N +ATOM 495 CA VAL A 61 34.306 29.048 -2.582 1.00 0.00 C +ATOM 496 C VAL A 61 32.830 29.017 -2.179 1.00 0.00 C +ATOM 497 O VAL A 61 32.022 29.742 -2.754 1.00 0.00 O +ATOM 498 CB VAL A 61 34.676 27.773 -3.369 1.00 0.00 C +ATOM 499 CG1 VAL A 61 33.586 27.446 -4.395 1.00 0.00 C +ATOM 500 CG2 VAL A 61 36.018 27.984 -4.073 1.00 0.00 C ATOM 501 N THR A 62 32.484 28.212 -1.182 1.00 0.00 N ATOM 502 CA THR A 62 31.093 28.080 -0.754 1.00 0.00 C ATOM 503 C THR A 62 30.473 29.420 -0.465 1.00 0.00 C @@ -1181,32 +1181,32 @@ ATOM 504 O THR A 62 29.366 29.709 -0.905 1.00 0.00 O ATOM 505 CB THR A 62 30.982 27.219 0.516 1.00 0.00 C ATOM 506 OG1 THR A 62 31.647 25.972 0.299 1.00 0.00 O ATOM 507 CG2 THR A 62 29.523 26.945 0.855 1.00 0.00 C -ATOM 508 N VAL A 63 31.186 30.248 0.272 1.00 0.41 N -ATOM 509 CA VAL A 63 30.656 31.536 0.650 1.00 0.41 C -ATOM 510 C VAL A 63 30.508 32.461 -0.526 1.00 0.41 C -ATOM 511 O VAL A 63 29.432 33.020 -0.741 1.00 0.41 O -ATOM 512 CB VAL A 63 31.554 32.180 1.694 1.00 0.41 C -ATOM 513 CG1 VAL A 63 31.172 33.621 1.888 1.00 0.41 C -ATOM 514 CG2 VAL A 63 31.428 31.425 2.995 1.00 0.41 C -ATOM 515 N GLN A 64 31.581 32.622 -1.284 1.00 0.01 N -ATOM 516 CA GLN A 64 31.587 33.520 -2.429 1.00 0.01 C -ATOM 517 C GLN A 64 30.488 33.246 -3.438 1.00 0.01 C -ATOM 518 O GLN A 64 29.975 34.196 -4.018 1.00 0.01 O -ATOM 519 CB GLN A 64 32.938 33.447 -3.108 1.00 0.01 C -ATOM 520 CG GLN A 64 32.952 33.957 -4.514 1.00 0.01 C -ATOM 521 CD GLN A 64 34.357 33.970 -5.066 1.00 0.01 C -ATOM 522 OE1 GLN A 64 35.168 34.839 -4.711 1.00 0.01 O -ATOM 523 NE2 GLN A 64 34.671 32.992 -5.922 1.00 0.01 N -ATOM 524 N HIS A 65 30.127 31.987 -3.663 1.00 0.08 N -ATOM 525 CA HIS A 65 29.089 31.684 -4.637 1.00 0.08 C -ATOM 526 C HIS A 65 27.749 31.633 -3.981 1.00 0.08 C -ATOM 527 O HIS A 65 27.326 30.612 -3.466 1.00 0.08 O -ATOM 528 CB HIS A 65 29.435 30.395 -5.351 1.00 0.08 C -ATOM 529 CG HIS A 65 30.654 30.519 -6.198 1.00 0.08 C -ATOM 530 ND1 HIS A 65 30.625 30.396 -7.570 1.00 0.08 N -ATOM 531 CD2 HIS A 65 31.930 30.826 -5.874 1.00 0.08 C -ATOM 532 CE1 HIS A 65 31.833 30.618 -8.054 1.00 0.08 C -ATOM 533 NE2 HIS A 65 32.643 30.882 -7.045 1.00 0.08 N +ATOM 508 N VAL A 63 31.186 30.248 0.272 1.00 0.00 N +ATOM 509 CA VAL A 63 30.656 31.536 0.650 1.00 0.00 C +ATOM 510 C VAL A 63 30.508 32.461 -0.526 1.00 0.00 C +ATOM 511 O VAL A 63 29.432 33.020 -0.741 1.00 0.00 O +ATOM 512 CB VAL A 63 31.554 32.180 1.694 1.00 0.00 C +ATOM 513 CG1 VAL A 63 31.172 33.621 1.888 1.00 0.00 C +ATOM 514 CG2 VAL A 63 31.428 31.425 2.995 1.00 0.00 C +ATOM 515 N GLN A 64 31.581 32.622 -1.284 1.00 0.00 N +ATOM 516 CA GLN A 64 31.587 33.520 -2.429 1.00 0.00 C +ATOM 517 C GLN A 64 30.488 33.246 -3.438 1.00 0.00 C +ATOM 518 O GLN A 64 29.975 34.196 -4.018 1.00 0.00 O +ATOM 519 CB GLN A 64 32.938 33.447 -3.108 1.00 0.00 C +ATOM 520 CG GLN A 64 32.952 33.957 -4.514 1.00 0.00 C +ATOM 521 CD GLN A 64 34.357 33.970 -5.066 1.00 0.00 C +ATOM 522 OE1 GLN A 64 35.168 34.839 -4.711 1.00 0.00 O +ATOM 523 NE2 GLN A 64 34.671 32.992 -5.922 1.00 0.00 N +ATOM 524 N HIS A 65 30.127 31.987 -3.663 1.00 0.00 N +ATOM 525 CA HIS A 65 29.089 31.684 -4.637 1.00 0.00 C +ATOM 526 C HIS A 65 27.749 31.633 -3.981 1.00 0.00 C +ATOM 527 O HIS A 65 27.326 30.612 -3.466 1.00 0.00 O +ATOM 528 CB HIS A 65 29.435 30.395 -5.351 1.00 0.00 C +ATOM 529 CG HIS A 65 30.654 30.519 -6.198 1.00 0.00 C +ATOM 530 ND1 HIS A 65 30.625 30.396 -7.570 1.00 0.00 N +ATOM 531 CD2 HIS A 65 31.930 30.826 -5.874 1.00 0.00 C +ATOM 532 CE1 HIS A 65 31.833 30.618 -8.054 1.00 0.00 C +ATOM 533 NE2 HIS A 65 32.643 30.882 -7.045 1.00 0.00 N ATOM 534 N LYS A 66 27.079 32.773 -4.042 1.00 0.00 N ATOM 535 CA LYS A 66 25.783 32.997 -3.422 1.00 0.00 C ATOM 536 C LYS A 66 24.726 31.956 -3.707 1.00 0.00 C @@ -1216,15 +1216,15 @@ ATOM 539 CG LYS A 66 25.815 35.500 -2.884 1.00 0.00 C ATOM 540 CD LYS A 66 27.345 35.509 -2.815 1.00 0.00 C ATOM 541 CE LYS A 66 27.867 36.339 -1.624 1.00 0.00 C ATOM 542 NZ LYS A 66 29.376 36.392 -1.524 1.00 0.00 N -ATOM 543 N LYS A 67 24.933 31.065 -4.663 1.00 0.06 N -ATOM 544 CA LYS A 67 23.881 30.092 -4.935 1.00 0.06 C -ATOM 545 C LYS A 67 24.197 28.736 -4.347 1.00 0.06 C -ATOM 546 O LYS A 67 23.323 27.886 -4.311 1.00 0.06 O -ATOM 547 CB LYS A 67 23.617 29.973 -6.444 1.00 0.06 C -ATOM 548 CG LYS A 67 23.480 31.325 -7.194 1.00 0.06 C -ATOM 549 CD LYS A 67 22.312 32.210 -6.702 1.00 0.06 C -ATOM 550 CE LYS A 67 20.954 31.525 -6.895 1.00 0.06 C -ATOM 551 NZ LYS A 67 20.772 30.980 -8.287 1.00 0.06 N +ATOM 543 N LYS A 67 24.933 31.065 -4.663 1.00 0.00 N +ATOM 544 CA LYS A 67 23.881 30.092 -4.935 1.00 0.00 C +ATOM 545 C LYS A 67 24.197 28.736 -4.347 1.00 0.00 C +ATOM 546 O LYS A 67 23.323 27.886 -4.311 1.00 0.00 O +ATOM 547 CB LYS A 67 23.617 29.973 -6.444 1.00 0.00 C +ATOM 548 CG LYS A 67 23.480 31.325 -7.194 1.00 0.00 C +ATOM 549 CD LYS A 67 22.312 32.210 -6.702 1.00 0.00 C +ATOM 550 CE LYS A 67 20.954 31.525 -6.895 1.00 0.00 C +ATOM 551 NZ LYS A 67 20.772 30.980 -8.287 1.00 0.00 N ATOM 552 N LEU A 68 25.424 28.517 -3.894 1.00 0.00 N ATOM 553 CA LEU A 68 25.761 27.234 -3.288 1.00 0.00 C ATOM 554 C LEU A 68 25.120 27.216 -1.894 1.00 0.00 C @@ -1233,24 +1233,24 @@ ATOM 556 CB LEU A 68 27.285 27.099 -3.198 1.00 0.00 C ATOM 557 CG LEU A 68 28.065 27.034 -4.514 1.00 0.00 C ATOM 558 CD1 LEU A 68 29.549 27.218 -4.235 1.00 0.00 C ATOM 559 CD2 LEU A 68 27.804 25.715 -5.202 1.00 0.00 C -ATOM 560 N ARG A 69 23.800 27.037 -1.840 1.00 0.12 N -ATOM 561 CA ARG A 69 23.087 27.072 -0.561 1.00 0.12 C -ATOM 562 C ARG A 69 22.188 25.868 -0.298 1.00 0.12 C -ATOM 563 O ARG A 69 21.192 26.011 0.419 1.00 0.12 O -ATOM 564 CB ARG A 69 22.255 28.345 -0.497 1.00 0.12 C -ATOM 565 CG ARG A 69 23.087 29.577 -0.650 1.00 0.12 C -ATOM 566 CD ARG A 69 23.937 29.726 0.560 1.00 0.12 C -ATOM 567 NE ARG A 69 24.826 30.874 0.479 1.00 0.12 N -ATOM 568 CZ ARG A 69 26.014 30.867 -0.118 1.00 0.12 C -ATOM 569 NH1 ARG A 69 26.463 29.761 -0.699 1.00 0.12 N -ATOM 570 NH2 ARG A 69 26.768 31.961 -0.110 1.00 0.12 N -ATOM 571 N THR A 70 22.528 24.699 -0.832 1.00 0.32 N -ATOM 572 CA THR A 70 21.717 23.500 -0.609 1.00 0.32 C -ATOM 573 C THR A 70 22.059 22.902 0.737 1.00 0.32 C -ATOM 574 O THR A 70 23.028 23.330 1.369 1.00 0.32 O -ATOM 575 CB THR A 70 21.994 22.429 -1.684 1.00 0.32 C -ATOM 576 OG1 THR A 70 23.349 21.989 -1.600 1.00 0.32 O -ATOM 577 CG2 THR A 70 21.793 23.003 -3.048 1.00 0.32 C +ATOM 560 N ARG A 69 23.800 27.037 -1.840 1.00 0.00 N +ATOM 561 CA ARG A 69 23.087 27.072 -0.561 1.00 0.00 C +ATOM 562 C ARG A 69 22.188 25.868 -0.298 1.00 0.00 C +ATOM 563 O ARG A 69 21.192 26.011 0.419 1.00 0.00 O +ATOM 564 CB ARG A 69 22.255 28.345 -0.497 1.00 0.00 C +ATOM 565 CG ARG A 69 23.087 29.577 -0.650 1.00 0.00 C +ATOM 566 CD ARG A 69 23.937 29.726 0.560 1.00 0.00 C +ATOM 567 NE ARG A 69 24.826 30.874 0.479 1.00 0.00 N +ATOM 568 CZ ARG A 69 26.014 30.867 -0.118 1.00 0.00 C +ATOM 569 NH1 ARG A 69 26.463 29.761 -0.699 1.00 0.00 N +ATOM 570 NH2 ARG A 69 26.768 31.961 -0.110 1.00 0.00 N +ATOM 571 N THR A 70 22.528 24.699 -0.832 1.00 0.00 N +ATOM 572 CA THR A 70 21.717 23.500 -0.609 1.00 0.00 C +ATOM 573 C THR A 70 22.059 22.902 0.737 1.00 0.00 C +ATOM 574 O THR A 70 23.028 23.330 1.369 1.00 0.00 O +ATOM 575 CB THR A 70 21.994 22.429 -1.684 1.00 0.00 C +ATOM 576 OG1 THR A 70 23.349 21.989 -1.600 1.00 0.00 O +ATOM 577 CG2 THR A 70 21.793 23.003 -3.048 1.00 0.00 C ATOM 578 N PRO A 71 21.272 21.919 1.209 1.00 0.00 N ATOM 579 CA PRO A 71 21.602 21.327 2.502 1.00 0.00 C ATOM 580 C PRO A 71 23.014 20.754 2.436 1.00 0.00 C @@ -1274,26 +1274,26 @@ ATOM 597 CB ASN A 73 26.076 24.165 -0.412 1.00 0.00 C ATOM 598 CG ASN A 73 26.010 23.836 -1.898 1.00 0.00 C ATOM 599 OD1 ASN A 73 26.941 23.264 -2.463 1.00 0.00 O ATOM 600 ND2 ASN A 73 24.910 24.214 -2.539 1.00 0.00 N -ATOM 601 N TYR A 74 25.773 23.317 2.727 1.00 0.03 N -ATOM 602 CA TYR A 74 25.919 23.718 4.123 1.00 0.03 C -ATOM 603 C TYR A 74 26.755 22.703 4.866 1.00 0.03 C -ATOM 604 O TYR A 74 27.777 23.065 5.436 1.00 0.03 O -ATOM 605 CB TYR A 74 24.562 23.830 4.804 1.00 0.03 C -ATOM 606 CG TYR A 74 23.913 25.152 4.575 1.00 0.03 C -ATOM 607 CD1 TYR A 74 24.028 26.176 5.508 1.00 0.03 C -ATOM 608 CD2 TYR A 74 23.232 25.411 3.386 1.00 0.03 C -ATOM 609 CE1 TYR A 74 23.481 27.435 5.253 1.00 0.03 C -ATOM 610 CE2 TYR A 74 22.682 26.661 3.122 1.00 0.03 C -ATOM 611 CZ TYR A 74 22.814 27.662 4.055 1.00 0.03 C -ATOM 612 OH TYR A 74 22.297 28.892 3.764 1.00 0.03 O -ATOM 613 N ILE A 75 26.326 21.443 4.854 1.00 0.02 N -ATOM 614 CA ILE A 75 27.014 20.369 5.557 1.00 0.02 C -ATOM 615 C ILE A 75 28.470 20.308 5.201 1.00 0.02 C -ATOM 616 O ILE A 75 29.293 20.035 6.070 1.00 0.02 O -ATOM 617 CB ILE A 75 26.334 19.005 5.277 1.00 0.02 C -ATOM 618 CG1 ILE A 75 25.084 18.887 6.152 1.00 0.02 C -ATOM 619 CG2 ILE A 75 27.307 17.856 5.515 1.00 0.02 C -ATOM 620 CD1 ILE A 75 25.318 19.308 7.620 1.00 0.02 C +ATOM 601 N TYR A 74 25.773 23.317 2.727 1.00 0.00 N +ATOM 602 CA TYR A 74 25.919 23.718 4.123 1.00 0.00 C +ATOM 603 C TYR A 74 26.755 22.703 4.866 1.00 0.00 C +ATOM 604 O TYR A 74 27.777 23.065 5.436 1.00 0.00 O +ATOM 605 CB TYR A 74 24.562 23.830 4.804 1.00 0.00 C +ATOM 606 CG TYR A 74 23.913 25.152 4.575 1.00 0.00 C +ATOM 607 CD1 TYR A 74 24.028 26.176 5.508 1.00 0.00 C +ATOM 608 CD2 TYR A 74 23.232 25.411 3.386 1.00 0.00 C +ATOM 609 CE1 TYR A 74 23.481 27.435 5.253 1.00 0.00 C +ATOM 610 CE2 TYR A 74 22.682 26.661 3.122 1.00 0.00 C +ATOM 611 CZ TYR A 74 22.814 27.662 4.055 1.00 0.00 C +ATOM 612 OH TYR A 74 22.297 28.892 3.764 1.00 0.00 O +ATOM 613 N ILE A 75 26.326 21.443 4.854 1.00 0.00 N +ATOM 614 CA ILE A 75 27.014 20.369 5.557 1.00 0.00 C +ATOM 615 C ILE A 75 28.470 20.308 5.201 1.00 0.00 C +ATOM 616 O ILE A 75 29.293 20.035 6.070 1.00 0.00 O +ATOM 617 CB ILE A 75 26.334 19.005 5.277 1.00 0.00 C +ATOM 618 CG1 ILE A 75 25.084 18.887 6.152 1.00 0.00 C +ATOM 619 CG2 ILE A 75 27.307 17.856 5.515 1.00 0.00 C +ATOM 620 CD1 ILE A 75 25.318 19.308 7.620 1.00 0.00 C ATOM 621 N LEU A 76 28.813 20.560 3.946 1.00 0.00 N ATOM 622 CA LEU A 76 30.214 20.505 3.589 1.00 0.00 C ATOM 623 C LEU A 76 30.938 21.758 3.994 1.00 0.00 C @@ -1302,14 +1302,14 @@ ATOM 625 CB LEU A 76 30.399 20.177 2.112 1.00 0.00 C ATOM 626 CG LEU A 76 30.610 18.652 2.095 1.00 0.00 C ATOM 627 CD1 LEU A 76 29.364 17.952 1.609 1.00 0.00 C ATOM 628 CD2 LEU A 76 31.798 18.297 1.253 1.00 0.00 C -ATOM 629 N LEU A 77 30.237 22.868 4.172 1.00 0.15 N -ATOM 630 CA LEU A 77 30.916 24.075 4.641 1.00 0.15 C -ATOM 631 C LEU A 77 31.237 23.819 6.100 1.00 0.15 C -ATOM 632 O LEU A 77 32.309 24.161 6.588 1.00 0.15 O -ATOM 633 CB LEU A 77 30.006 25.307 4.521 1.00 0.15 C -ATOM 634 CG LEU A 77 30.605 26.607 5.071 1.00 0.15 C -ATOM 635 CD1 LEU A 77 32.001 26.853 4.527 1.00 0.15 C -ATOM 636 CD2 LEU A 77 29.692 27.736 4.703 1.00 0.15 C +ATOM 629 N LEU A 77 30.237 22.868 4.172 1.00 0.00 N +ATOM 630 CA LEU A 77 30.916 24.075 4.641 1.00 0.00 C +ATOM 631 C LEU A 77 31.237 23.819 6.100 1.00 0.00 C +ATOM 632 O LEU A 77 32.309 24.161 6.588 1.00 0.00 O +ATOM 633 CB LEU A 77 30.006 25.307 4.521 1.00 0.00 C +ATOM 634 CG LEU A 77 30.605 26.607 5.071 1.00 0.00 C +ATOM 635 CD1 LEU A 77 32.001 26.853 4.527 1.00 0.00 C +ATOM 636 CD2 LEU A 77 29.692 27.736 4.703 1.00 0.00 C ATOM 637 N ASN A 78 30.280 23.202 6.781 1.00 0.00 N ATOM 638 CA ASN A 78 30.388 22.834 8.182 1.00 0.00 C ATOM 639 C ASN A 78 31.632 21.957 8.328 1.00 0.00 C @@ -1326,183 +1326,183 @@ ATOM 649 CB LEU A 79 32.722 18.928 6.527 1.00 0.00 C ATOM 650 CG LEU A 79 32.017 17.658 6.999 1.00 0.00 C ATOM 651 CD1 LEU A 79 31.441 17.820 8.410 1.00 0.00 C ATOM 652 CD2 LEU A 79 30.956 17.315 5.969 1.00 0.00 C -ATOM 653 N ALA A 80 34.241 21.733 6.437 1.00 0.07 N -ATOM 654 CA ALA A 80 35.476 22.472 6.163 1.00 0.07 C -ATOM 655 C ALA A 80 35.868 23.269 7.392 1.00 0.07 C -ATOM 656 O ALA A 80 37.042 23.387 7.712 1.00 0.07 O -ATOM 657 CB ALA A 80 35.290 23.409 4.946 1.00 0.07 C -ATOM 658 N VAL A 81 34.890 23.811 8.094 1.00 0.30 N -ATOM 659 CA VAL A 81 35.185 24.585 9.287 1.00 0.30 C -ATOM 660 C VAL A 81 35.723 23.669 10.382 1.00 0.30 C -ATOM 661 O VAL A 81 36.739 23.963 11.003 1.00 0.30 O -ATOM 662 CB VAL A 81 33.919 25.300 9.751 1.00 0.30 C -ATOM 663 CG1 VAL A 81 34.185 26.097 11.001 1.00 0.30 C -ATOM 664 CG2 VAL A 81 33.436 26.197 8.641 1.00 0.30 C +ATOM 653 N ALA A 80 34.241 21.733 6.437 1.00 0.00 N +ATOM 654 CA ALA A 80 35.476 22.472 6.163 1.00 0.00 C +ATOM 655 C ALA A 80 35.868 23.269 7.392 1.00 0.00 C +ATOM 656 O ALA A 80 37.042 23.387 7.712 1.00 0.00 O +ATOM 657 CB ALA A 80 35.290 23.409 4.946 1.00 0.00 C +ATOM 658 N VAL A 81 34.890 23.811 8.094 1.00 0.00 N +ATOM 659 CA VAL A 81 35.185 24.585 9.287 1.00 0.00 C +ATOM 660 C VAL A 81 35.723 23.669 10.382 1.00 0.00 C +ATOM 661 O VAL A 81 36.739 23.963 11.003 1.00 0.00 O +ATOM 662 CB VAL A 81 33.919 25.300 9.751 1.00 0.00 C +ATOM 663 CG1 VAL A 81 34.185 26.097 11.001 1.00 0.00 C +ATOM 664 CG2 VAL A 81 33.436 26.197 8.641 1.00 0.00 C ATOM 665 N ALA A 82 35.037 22.556 10.600 1.00 0.00 N ATOM 666 CA ALA A 82 35.434 21.596 11.604 1.00 0.00 C ATOM 667 C ALA A 82 36.826 21.046 11.284 1.00 0.00 C ATOM 668 O ALA A 82 37.581 20.750 12.204 1.00 0.00 O ATOM 669 CB ALA A 82 34.407 20.471 11.666 1.00 0.00 C -ATOM 670 N ASP A 83 37.169 20.930 9.998 1.00 0.06 N -ATOM 671 CA ASP A 83 38.472 20.407 9.549 1.00 0.06 C -ATOM 672 C ASP A 83 39.557 21.458 9.781 1.00 0.06 C -ATOM 673 O ASP A 83 40.721 21.094 9.991 1.00 0.06 O -ATOM 674 CB ASP A 83 38.462 20.026 8.056 1.00 0.06 C -ATOM 675 CG ASP A 83 37.573 18.838 7.742 1.00 0.06 C -ATOM 676 OD1 ASP A 83 37.126 18.132 8.660 1.00 0.06 O -ATOM 677 OD2 ASP A 83 37.323 18.602 6.550 1.00 0.06 O -ATOM 678 N LEU A 84 39.197 22.740 9.724 1.00 0.85 N -ATOM 679 CA LEU A 84 40.169 23.806 9.967 1.00 0.85 C -ATOM 680 C LEU A 84 40.443 23.885 11.462 1.00 0.85 C -ATOM 681 O LEU A 84 41.531 24.298 11.855 1.00 0.85 O -ATOM 682 CB LEU A 84 39.659 25.154 9.430 1.00 0.85 C -ATOM 683 CG LEU A 84 39.790 25.391 7.912 1.00 0.85 C -ATOM 684 CD1 LEU A 84 38.895 26.542 7.491 1.00 0.85 C -ATOM 685 CD2 LEU A 84 41.233 25.674 7.539 1.00 0.85 C -ATOM 686 N PHE A 85 39.467 23.499 12.288 1.00 0.08 N -ATOM 687 CA PHE A 85 39.668 23.473 13.736 1.00 0.08 C -ATOM 688 C PHE A 85 40.601 22.326 14.051 1.00 0.08 C -ATOM 689 O PHE A 85 41.421 22.412 14.947 1.00 0.08 O -ATOM 690 CB PHE A 85 38.345 23.280 14.469 1.00 0.08 C -ATOM 691 CG PHE A 85 37.628 24.559 14.749 1.00 0.08 C -ATOM 692 CD1 PHE A 85 38.246 25.565 15.488 1.00 0.08 C -ATOM 693 CD2 PHE A 85 36.339 24.769 14.271 1.00 0.08 C -ATOM 694 CE1 PHE A 85 37.582 26.780 15.753 1.00 0.08 C -ATOM 695 CE2 PHE A 85 35.667 25.967 14.522 1.00 0.08 C -ATOM 696 CZ PHE A 85 36.288 26.979 15.266 1.00 0.08 C -ATOM 697 N MET A 86 40.461 21.245 13.306 1.00 7.40 N -ATOM 698 CA MET A 86 41.331 20.103 13.474 1.00 7.40 C -ATOM 699 C MET A 86 42.761 20.534 13.195 1.00 7.40 C -ATOM 700 O MET A 86 43.621 20.361 14.041 1.00 7.40 O -ATOM 701 CB MET A 86 40.935 18.984 12.504 1.00 7.40 C -ATOM 702 CG MET A 86 39.535 18.452 12.733 1.00 7.40 C -ATOM 703 SD MET A 86 39.137 16.991 11.762 1.00 7.40 S -ATOM 704 CE MET A 86 39.972 15.752 12.693 1.00 7.40 C -ATOM 705 N VAL A 87 42.996 21.107 12.017 1.00 1.04 N -ATOM 706 CA VAL A 87 44.326 21.540 11.591 1.00 1.04 C -ATOM 707 C VAL A 87 44.966 22.489 12.573 1.00 1.04 C -ATOM 708 O VAL A 87 46.048 22.226 13.080 1.00 1.04 O -ATOM 709 CB VAL A 87 44.267 22.237 10.220 1.00 1.04 C -ATOM 710 CG1 VAL A 87 45.640 22.673 9.806 1.00 1.04 C -ATOM 711 CG2 VAL A 87 43.674 21.315 9.190 1.00 1.04 C -ATOM 712 N PHE A 88 44.304 23.600 12.845 1.00 0.31 N -ATOM 713 CA PHE A 88 44.868 24.598 13.749 1.00 0.31 C -ATOM 714 C PHE A 88 44.629 24.247 15.203 1.00 0.31 C -ATOM 715 O PHE A 88 45.496 24.502 16.040 1.00 0.31 O -ATOM 716 CB PHE A 88 44.292 25.979 13.425 1.00 0.31 C -ATOM 717 CG PHE A 88 44.708 26.508 12.079 1.00 0.31 C -ATOM 718 CD1 PHE A 88 46.048 26.756 11.801 1.00 0.31 C -ATOM 719 CD2 PHE A 88 43.766 26.706 11.065 1.00 0.31 C -ATOM 720 CE1 PHE A 88 46.450 27.192 10.523 1.00 0.31 C -ATOM 721 CE2 PHE A 88 44.158 27.141 9.787 1.00 0.31 C -ATOM 722 CZ PHE A 88 45.498 27.381 9.515 1.00 0.31 C -ATOM 723 N GLY A 89 43.480 23.654 15.502 1.00 0.32 N -ATOM 724 CA GLY A 89 43.179 23.294 16.874 1.00 0.32 C -ATOM 725 C GLY A 89 44.055 22.222 17.508 1.00 0.32 C -ATOM 726 O GLY A 89 44.655 22.447 18.546 1.00 0.32 O -ATOM 727 N GLY A 90 44.141 21.051 16.896 1.00 8.37 N -ATOM 728 CA GLY A 90 44.943 20.013 17.504 1.00 8.37 C -ATOM 729 C GLY A 90 46.161 19.576 16.740 1.00 8.37 C -ATOM 730 O GLY A 90 47.115 19.165 17.353 1.00 8.37 O -ATOM 731 N PHE A 91 46.133 19.669 15.415 1.00 4.13 N -ATOM 732 CA PHE A 91 47.253 19.227 14.577 1.00 4.13 C -ATOM 733 C PHE A 91 48.484 20.004 14.841 1.00 4.13 C -ATOM 734 O PHE A 91 49.584 19.512 14.631 1.00 4.13 O -ATOM 735 CB PHE A 91 46.893 19.315 13.105 1.00 4.13 C -ATOM 736 CG PHE A 91 45.960 18.236 12.664 1.00 4.13 C -ATOM 737 CD1 PHE A 91 45.235 17.507 13.600 1.00 4.13 C -ATOM 738 CD2 PHE A 91 45.808 17.938 11.314 1.00 4.13 C -ATOM 739 CE1 PHE A 91 44.380 16.501 13.200 1.00 4.13 C -ATOM 740 CE2 PHE A 91 44.952 16.927 10.903 1.00 4.13 C -ATOM 741 CZ PHE A 91 44.236 16.204 11.844 1.00 4.13 C -ATOM 742 N THR A 92 48.312 21.225 15.303 1.00 2.27 N -ATOM 743 CA THR A 92 49.444 22.058 15.624 1.00 2.27 C -ATOM 744 C THR A 92 50.146 21.465 16.853 1.00 2.27 C -ATOM 745 O THR A 92 51.373 21.421 16.935 1.00 2.27 O -ATOM 746 CB THR A 92 48.933 23.469 15.883 1.00 2.27 C -ATOM 747 OG1 THR A 92 47.778 23.401 16.729 1.00 2.27 O -ATOM 748 CG2 THR A 92 48.518 24.120 14.569 1.00 2.27 C -ATOM 749 N THR A 93 49.360 20.981 17.802 1.00 4.72 N -ATOM 750 CA THR A 93 49.926 20.388 18.993 1.00 4.72 C -ATOM 751 C THR A 93 50.468 19.009 18.679 1.00 4.72 C -ATOM 752 O THR A 93 51.507 18.646 19.215 1.00 4.72 O -ATOM 753 CB THR A 93 48.881 20.254 20.117 1.00 4.72 C -ATOM 754 OG1 THR A 93 48.595 21.546 20.658 1.00 4.72 O -ATOM 755 CG2 THR A 93 49.401 19.349 21.233 1.00 4.72 C -ATOM 756 N THR A 94 49.794 18.235 17.832 1.00 20.57 N -ATOM 757 CA THR A 94 50.294 16.897 17.540 1.00 20.57 C -ATOM 758 C THR A 94 51.595 16.932 16.752 1.00 20.57 C -ATOM 759 O THR A 94 52.394 16.019 16.857 1.00 20.57 O -ATOM 760 CB THR A 94 49.245 16.034 16.813 1.00 20.57 C -ATOM 761 OG1 THR A 94 49.913 15.010 16.063 1.00 20.57 O -ATOM 762 CG2 THR A 94 48.389 16.862 15.923 1.00 20.57 C -ATOM 763 N LEU A 95 51.816 17.984 15.982 1.00 1.96 N -ATOM 764 CA LEU A 95 53.072 18.091 15.261 1.00 1.96 C -ATOM 765 C LEU A 95 54.101 18.583 16.238 1.00 1.96 C -ATOM 766 O LEU A 95 55.233 18.137 16.215 1.00 1.96 O -ATOM 767 CB LEU A 95 52.975 19.085 14.110 1.00 1.96 C -ATOM 768 CG LEU A 95 54.327 19.491 13.512 1.00 1.96 C -ATOM 769 CD1 LEU A 95 55.087 18.277 13.016 1.00 1.96 C -ATOM 770 CD2 LEU A 95 54.083 20.446 12.376 1.00 1.96 C -ATOM 771 N TYR A 96 53.704 19.506 17.102 1.00 3.89 N -ATOM 772 CA TYR A 96 54.617 20.049 18.086 1.00 3.89 C -ATOM 773 C TYR A 96 55.055 18.965 19.038 1.00 3.89 C -ATOM 774 O TYR A 96 56.213 18.940 19.449 1.00 3.89 O -ATOM 775 CB TYR A 96 53.940 21.140 18.889 1.00 3.89 C -ATOM 776 CG TYR A 96 54.903 21.858 19.787 1.00 3.89 C -ATOM 777 CD1 TYR A 96 55.786 22.799 19.267 1.00 3.89 C -ATOM 778 CD2 TYR A 96 54.961 21.584 21.151 1.00 3.89 C -ATOM 779 CE1 TYR A 96 56.711 23.461 20.073 1.00 3.89 C -ATOM 780 CE2 TYR A 96 55.885 22.241 21.977 1.00 3.89 C -ATOM 781 CZ TYR A 96 56.763 23.184 21.427 1.00 3.89 C -ATOM 782 OH TYR A 96 57.698 23.847 22.210 1.00 3.89 O -ATOM 783 N THR A 97 54.122 18.092 19.406 1.00 1.20 N -ATOM 784 CA THR A 97 54.373 16.991 20.321 1.00 1.20 C -ATOM 785 C THR A 97 55.240 15.922 19.668 1.00 1.20 C -ATOM 786 O THR A 97 56.152 15.406 20.303 1.00 1.20 O -ATOM 787 CB THR A 97 53.053 16.383 20.741 1.00 1.20 C -ATOM 788 OG1 THR A 97 52.332 17.344 21.522 1.00 1.20 O -ATOM 789 CG2 THR A 97 53.273 15.111 21.521 1.00 1.20 C +ATOM 670 N ASP A 83 37.169 20.930 9.998 1.00 0.00 N +ATOM 671 CA ASP A 83 38.472 20.407 9.549 1.00 0.00 C +ATOM 672 C ASP A 83 39.557 21.458 9.781 1.00 0.00 C +ATOM 673 O ASP A 83 40.721 21.094 9.991 1.00 0.00 O +ATOM 674 CB ASP A 83 38.462 20.026 8.056 1.00 0.00 C +ATOM 675 CG ASP A 83 37.573 18.838 7.742 1.00 0.00 C +ATOM 676 OD1 ASP A 83 37.126 18.132 8.660 1.00 0.00 O +ATOM 677 OD2 ASP A 83 37.323 18.602 6.550 1.00 0.00 O +ATOM 678 N LEU A 84 39.197 22.740 9.724 1.00 0.00 N +ATOM 679 CA LEU A 84 40.169 23.806 9.967 1.00 0.00 C +ATOM 680 C LEU A 84 40.443 23.885 11.462 1.00 0.00 C +ATOM 681 O LEU A 84 41.531 24.298 11.855 1.00 0.00 O +ATOM 682 CB LEU A 84 39.659 25.154 9.430 1.00 0.00 C +ATOM 683 CG LEU A 84 39.790 25.391 7.912 1.00 0.00 C +ATOM 684 CD1 LEU A 84 38.895 26.542 7.491 1.00 0.00 C +ATOM 685 CD2 LEU A 84 41.233 25.674 7.539 1.00 0.00 C +ATOM 686 N PHE A 85 39.467 23.499 12.288 1.00 0.31 N +ATOM 687 CA PHE A 85 39.668 23.473 13.736 1.00 0.31 C +ATOM 688 C PHE A 85 40.601 22.326 14.051 1.00 0.31 C +ATOM 689 O PHE A 85 41.421 22.412 14.947 1.00 0.31 O +ATOM 690 CB PHE A 85 38.345 23.280 14.469 1.00 0.31 C +ATOM 691 CG PHE A 85 37.628 24.559 14.749 1.00 0.31 C +ATOM 692 CD1 PHE A 85 38.246 25.565 15.488 1.00 0.31 C +ATOM 693 CD2 PHE A 85 36.339 24.769 14.271 1.00 0.31 C +ATOM 694 CE1 PHE A 85 37.582 26.780 15.753 1.00 0.31 C +ATOM 695 CE2 PHE A 85 35.667 25.967 14.522 1.00 0.31 C +ATOM 696 CZ PHE A 85 36.288 26.979 15.266 1.00 0.31 C +ATOM 697 N MET A 86 40.461 21.245 13.306 1.00 0.00 N +ATOM 698 CA MET A 86 41.331 20.103 13.474 1.00 0.00 C +ATOM 699 C MET A 86 42.761 20.534 13.195 1.00 0.00 C +ATOM 700 O MET A 86 43.621 20.361 14.041 1.00 0.00 O +ATOM 701 CB MET A 86 40.935 18.984 12.504 1.00 0.00 C +ATOM 702 CG MET A 86 39.535 18.452 12.733 1.00 0.00 C +ATOM 703 SD MET A 86 39.137 16.991 11.762 1.00 0.00 S +ATOM 704 CE MET A 86 39.972 15.752 12.693 1.00 0.00 C +ATOM 705 N VAL A 87 42.996 21.107 12.017 1.00 0.00 N +ATOM 706 CA VAL A 87 44.326 21.540 11.591 1.00 0.00 C +ATOM 707 C VAL A 87 44.966 22.489 12.573 1.00 0.00 C +ATOM 708 O VAL A 87 46.048 22.226 13.080 1.00 0.00 O +ATOM 709 CB VAL A 87 44.267 22.237 10.220 1.00 0.00 C +ATOM 710 CG1 VAL A 87 45.640 22.673 9.806 1.00 0.00 C +ATOM 711 CG2 VAL A 87 43.674 21.315 9.190 1.00 0.00 C +ATOM 712 N PHE A 88 44.304 23.600 12.845 1.00 0.01 N +ATOM 713 CA PHE A 88 44.868 24.598 13.749 1.00 0.01 C +ATOM 714 C PHE A 88 44.629 24.247 15.203 1.00 0.01 C +ATOM 715 O PHE A 88 45.496 24.502 16.040 1.00 0.01 O +ATOM 716 CB PHE A 88 44.292 25.979 13.425 1.00 0.01 C +ATOM 717 CG PHE A 88 44.708 26.508 12.079 1.00 0.01 C +ATOM 718 CD1 PHE A 88 46.048 26.756 11.801 1.00 0.01 C +ATOM 719 CD2 PHE A 88 43.766 26.706 11.065 1.00 0.01 C +ATOM 720 CE1 PHE A 88 46.450 27.192 10.523 1.00 0.01 C +ATOM 721 CE2 PHE A 88 44.158 27.141 9.787 1.00 0.01 C +ATOM 722 CZ PHE A 88 45.498 27.381 9.515 1.00 0.01 C +ATOM 723 N GLY A 89 43.480 23.654 15.502 1.00 0.16 N +ATOM 724 CA GLY A 89 43.179 23.294 16.874 1.00 0.16 C +ATOM 725 C GLY A 89 44.055 22.222 17.508 1.00 0.16 C +ATOM 726 O GLY A 89 44.655 22.447 18.546 1.00 0.16 O +ATOM 727 N GLY A 90 44.141 21.051 16.896 1.00 0.00 N +ATOM 728 CA GLY A 90 44.943 20.013 17.504 1.00 0.00 C +ATOM 729 C GLY A 90 46.161 19.576 16.740 1.00 0.00 C +ATOM 730 O GLY A 90 47.115 19.165 17.353 1.00 0.00 O +ATOM 731 N PHE A 91 46.133 19.669 15.415 1.00 0.00 N +ATOM 732 CA PHE A 91 47.253 19.227 14.577 1.00 0.00 C +ATOM 733 C PHE A 91 48.484 20.004 14.841 1.00 0.00 C +ATOM 734 O PHE A 91 49.584 19.512 14.631 1.00 0.00 O +ATOM 735 CB PHE A 91 46.893 19.315 13.105 1.00 0.00 C +ATOM 736 CG PHE A 91 45.960 18.236 12.664 1.00 0.00 C +ATOM 737 CD1 PHE A 91 45.235 17.507 13.600 1.00 0.00 C +ATOM 738 CD2 PHE A 91 45.808 17.938 11.314 1.00 0.00 C +ATOM 739 CE1 PHE A 91 44.380 16.501 13.200 1.00 0.00 C +ATOM 740 CE2 PHE A 91 44.952 16.927 10.903 1.00 0.00 C +ATOM 741 CZ PHE A 91 44.236 16.204 11.844 1.00 0.00 C +ATOM 742 N THR A 92 48.312 21.225 15.303 1.00 0.00 N +ATOM 743 CA THR A 92 49.444 22.058 15.624 1.00 0.00 C +ATOM 744 C THR A 92 50.146 21.465 16.853 1.00 0.00 C +ATOM 745 O THR A 92 51.373 21.421 16.935 1.00 0.00 O +ATOM 746 CB THR A 92 48.933 23.469 15.883 1.00 0.00 C +ATOM 747 OG1 THR A 92 47.778 23.401 16.729 1.00 0.00 O +ATOM 748 CG2 THR A 92 48.518 24.120 14.569 1.00 0.00 C +ATOM 749 N THR A 93 49.360 20.981 17.802 1.00 0.00 N +ATOM 750 CA THR A 93 49.926 20.388 18.993 1.00 0.00 C +ATOM 751 C THR A 93 50.468 19.009 18.679 1.00 0.00 C +ATOM 752 O THR A 93 51.507 18.646 19.215 1.00 0.00 O +ATOM 753 CB THR A 93 48.881 20.254 20.117 1.00 0.00 C +ATOM 754 OG1 THR A 93 48.595 21.546 20.658 1.00 0.00 O +ATOM 755 CG2 THR A 93 49.401 19.349 21.233 1.00 0.00 C +ATOM 756 N THR A 94 49.794 18.235 17.832 1.00 0.00 N +ATOM 757 CA THR A 94 50.294 16.897 17.540 1.00 0.00 C +ATOM 758 C THR A 94 51.595 16.932 16.752 1.00 0.00 C +ATOM 759 O THR A 94 52.394 16.019 16.857 1.00 0.00 O +ATOM 760 CB THR A 94 49.245 16.034 16.813 1.00 0.00 C +ATOM 761 OG1 THR A 94 49.913 15.010 16.063 1.00 0.00 O +ATOM 762 CG2 THR A 94 48.389 16.862 15.923 1.00 0.00 C +ATOM 763 N LEU A 95 51.816 17.984 15.982 1.00 7.33 N +ATOM 764 CA LEU A 95 53.072 18.091 15.261 1.00 7.33 C +ATOM 765 C LEU A 95 54.101 18.583 16.238 1.00 7.33 C +ATOM 766 O LEU A 95 55.233 18.137 16.215 1.00 7.33 O +ATOM 767 CB LEU A 95 52.975 19.085 14.110 1.00 7.33 C +ATOM 768 CG LEU A 95 54.327 19.491 13.512 1.00 7.33 C +ATOM 769 CD1 LEU A 95 55.087 18.277 13.016 1.00 7.33 C +ATOM 770 CD2 LEU A 95 54.083 20.446 12.376 1.00 7.33 C +ATOM 771 N TYR A 96 53.704 19.506 17.102 1.00 6.40 N +ATOM 772 CA TYR A 96 54.617 20.049 18.086 1.00 6.40 C +ATOM 773 C TYR A 96 55.055 18.965 19.038 1.00 6.40 C +ATOM 774 O TYR A 96 56.213 18.940 19.449 1.00 6.40 O +ATOM 775 CB TYR A 96 53.940 21.140 18.889 1.00 6.40 C +ATOM 776 CG TYR A 96 54.903 21.858 19.787 1.00 6.40 C +ATOM 777 CD1 TYR A 96 55.786 22.799 19.267 1.00 6.40 C +ATOM 778 CD2 TYR A 96 54.961 21.584 21.151 1.00 6.40 C +ATOM 779 CE1 TYR A 96 56.711 23.461 20.073 1.00 6.40 C +ATOM 780 CE2 TYR A 96 55.885 22.241 21.977 1.00 6.40 C +ATOM 781 CZ TYR A 96 56.763 23.184 21.427 1.00 6.40 C +ATOM 782 OH TYR A 96 57.698 23.847 22.210 1.00 6.40 O +ATOM 783 N THR A 97 54.122 18.092 19.406 1.00 0.00 N +ATOM 784 CA THR A 97 54.373 16.991 20.321 1.00 0.00 C +ATOM 785 C THR A 97 55.240 15.922 19.668 1.00 0.00 C +ATOM 786 O THR A 97 56.152 15.406 20.303 1.00 0.00 O +ATOM 787 CB THR A 97 53.053 16.383 20.741 1.00 0.00 C +ATOM 788 OG1 THR A 97 52.332 17.344 21.522 1.00 0.00 O +ATOM 789 CG2 THR A 97 53.273 15.111 21.521 1.00 0.00 C ATOM 790 N SER A 98 54.949 15.574 18.417 1.00 0.00 N ATOM 791 CA SER A 98 55.732 14.573 17.711 1.00 0.00 C ATOM 792 C SER A 98 57.153 15.036 17.638 1.00 0.00 C ATOM 793 O SER A 98 58.057 14.224 17.802 1.00 0.00 O ATOM 794 CB SER A 98 55.207 14.373 16.297 1.00 0.00 C ATOM 795 OG SER A 98 53.973 13.717 16.329 1.00 0.00 O -ATOM 796 N LEU A 99 57.352 16.338 17.403 1.00 0.04 N -ATOM 797 CA LEU A 99 58.700 16.944 17.275 1.00 0.04 C -ATOM 798 C LEU A 99 59.522 16.848 18.536 1.00 0.04 C -ATOM 799 O LEU A 99 60.732 16.907 18.448 1.00 0.04 O -ATOM 800 CB LEU A 99 58.612 18.422 16.865 1.00 0.04 C -ATOM 801 CG LEU A 99 58.346 18.689 15.382 1.00 0.04 C -ATOM 802 CD1 LEU A 99 58.062 20.146 15.174 1.00 0.04 C -ATOM 803 CD2 LEU A 99 59.532 18.223 14.548 1.00 0.04 C -ATOM 804 N HIS A 100 58.891 16.708 19.693 1.00 4.44 N -ATOM 805 CA HIS A 100 59.630 16.621 20.941 1.00 4.44 C -ATOM 806 C HIS A 100 59.559 15.233 21.537 1.00 4.44 C -ATOM 807 O HIS A 100 60.275 14.955 22.493 1.00 4.44 O -ATOM 808 CB HIS A 100 59.091 17.667 21.910 1.00 4.44 C -ATOM 809 CG HIS A 100 59.284 19.071 21.424 1.00 4.44 C -ATOM 810 ND1 HIS A 100 60.531 19.655 21.300 1.00 4.44 N -ATOM 811 CD2 HIS A 100 58.395 20.005 21.014 1.00 4.44 C -ATOM 812 CE1 HIS A 100 60.401 20.886 20.840 1.00 4.44 C -ATOM 813 NE2 HIS A 100 59.114 21.125 20.659 1.00 4.44 N -ATOM 814 N GLY A 101 58.719 14.365 20.972 1.00 0.31 N -ATOM 815 CA GLY A 101 58.589 13.016 21.489 1.00 0.31 C -ATOM 816 C GLY A 101 57.705 12.924 22.722 1.00 0.31 C -ATOM 817 O GLY A 101 57.713 11.913 23.402 1.00 0.31 O -ATOM 818 N TYR A 102 56.949 13.980 23.019 1.00 0.02 N -ATOM 819 CA TYR A 102 56.048 13.997 24.179 1.00 0.02 C -ATOM 820 C TYR A 102 55.266 15.307 24.238 1.00 0.02 C -ATOM 821 O TYR A 102 55.601 16.273 23.545 1.00 0.02 O -ATOM 822 CB TYR A 102 56.830 13.797 25.500 1.00 0.02 C -ATOM 823 CG TYR A 102 57.514 15.044 26.063 1.00 0.02 C -ATOM 824 CD1 TYR A 102 58.713 15.527 25.524 1.00 0.02 C -ATOM 825 CD2 TYR A 102 56.947 15.742 27.128 1.00 0.02 C -ATOM 826 CE1 TYR A 102 59.329 16.674 26.032 1.00 0.02 C -ATOM 827 CE2 TYR A 102 57.546 16.886 27.645 1.00 0.02 C -ATOM 828 CZ TYR A 102 58.737 17.353 27.095 1.00 0.02 C -ATOM 829 OH TYR A 102 59.308 18.501 27.616 1.00 0.02 O +ATOM 796 N LEU A 99 57.352 16.338 17.403 1.00 0.00 N +ATOM 797 CA LEU A 99 58.700 16.944 17.275 1.00 0.00 C +ATOM 798 C LEU A 99 59.522 16.848 18.536 1.00 0.00 C +ATOM 799 O LEU A 99 60.732 16.907 18.448 1.00 0.00 O +ATOM 800 CB LEU A 99 58.612 18.422 16.865 1.00 0.00 C +ATOM 801 CG LEU A 99 58.346 18.689 15.382 1.00 0.00 C +ATOM 802 CD1 LEU A 99 58.062 20.146 15.174 1.00 0.00 C +ATOM 803 CD2 LEU A 99 59.532 18.223 14.548 1.00 0.00 C +ATOM 804 N HIS A 100 58.891 16.708 19.693 1.00 0.03 N +ATOM 805 CA HIS A 100 59.630 16.621 20.941 1.00 0.03 C +ATOM 806 C HIS A 100 59.559 15.233 21.537 1.00 0.03 C +ATOM 807 O HIS A 100 60.275 14.955 22.493 1.00 0.03 O +ATOM 808 CB HIS A 100 59.091 17.667 21.910 1.00 0.03 C +ATOM 809 CG HIS A 100 59.284 19.071 21.424 1.00 0.03 C +ATOM 810 ND1 HIS A 100 60.531 19.655 21.300 1.00 0.03 N +ATOM 811 CD2 HIS A 100 58.395 20.005 21.014 1.00 0.03 C +ATOM 812 CE1 HIS A 100 60.401 20.886 20.840 1.00 0.03 C +ATOM 813 NE2 HIS A 100 59.114 21.125 20.659 1.00 0.03 N +ATOM 814 N GLY A 101 58.719 14.365 20.972 1.00 0.00 N +ATOM 815 CA GLY A 101 58.589 13.016 21.489 1.00 0.00 C +ATOM 816 C GLY A 101 57.705 12.924 22.722 1.00 0.00 C +ATOM 817 O GLY A 101 57.713 11.913 23.402 1.00 0.00 O +ATOM 818 N TYR A 102 56.949 13.980 23.019 1.00 0.00 N +ATOM 819 CA TYR A 102 56.048 13.997 24.179 1.00 0.00 C +ATOM 820 C TYR A 102 55.266 15.307 24.238 1.00 0.00 C +ATOM 821 O TYR A 102 55.601 16.273 23.545 1.00 0.00 O +ATOM 822 CB TYR A 102 56.830 13.797 25.500 1.00 0.00 C +ATOM 823 CG TYR A 102 57.514 15.044 26.063 1.00 0.00 C +ATOM 824 CD1 TYR A 102 58.713 15.527 25.524 1.00 0.00 C +ATOM 825 CD2 TYR A 102 56.947 15.742 27.128 1.00 0.00 C +ATOM 826 CE1 TYR A 102 59.329 16.674 26.032 1.00 0.00 C +ATOM 827 CE2 TYR A 102 57.546 16.886 27.645 1.00 0.00 C +ATOM 828 CZ TYR A 102 58.737 17.353 27.095 1.00 0.00 C +ATOM 829 OH TYR A 102 59.308 18.501 27.616 1.00 0.00 O ATOM 830 N PHE A 103 54.242 15.326 25.087 1.00 0.00 N ATOM 831 CA PHE A 103 53.371 16.477 25.263 1.00 0.00 C ATOM 832 C PHE A 103 53.998 17.531 26.149 1.00 0.00 C @@ -1514,175 +1514,175 @@ ATOM 837 CD2 PHE A 103 50.857 14.173 24.605 1.00 0.00 C ATOM 838 CE1 PHE A 103 49.503 16.006 23.004 1.00 0.00 C ATOM 839 CE2 PHE A 103 49.986 13.727 23.615 1.00 0.00 C ATOM 840 CZ PHE A 103 49.306 14.647 22.811 1.00 0.00 C -ATOM 841 N VAL A 104 54.902 18.327 25.574 1.00 0.21 N -ATOM 842 CA VAL A 104 55.553 19.389 26.327 1.00 0.21 C -ATOM 843 C VAL A 104 54.480 20.264 26.988 1.00 0.21 C -ATOM 844 O VAL A 104 54.658 20.670 28.133 1.00 0.21 O -ATOM 845 CB VAL A 104 56.470 20.304 25.432 1.00 0.21 C -ATOM 846 CG1 VAL A 104 57.146 19.494 24.361 1.00 0.21 C -ATOM 847 CG2 VAL A 104 55.665 21.437 24.836 1.00 0.21 C -ATOM 848 N PHE A 105 53.376 20.545 26.305 1.00 0.11 N -ATOM 849 CA PHE A 105 52.344 21.374 26.921 1.00 0.11 C -ATOM 850 C PHE A 105 51.540 20.607 27.942 1.00 0.11 C -ATOM 851 O PHE A 105 50.456 21.071 28.353 1.00 0.11 O -ATOM 852 CB PHE A 105 51.406 21.926 25.864 1.00 0.11 C -ATOM 853 CG PHE A 105 52.092 22.773 24.862 1.00 0.11 C -ATOM 854 CD1 PHE A 105 52.948 23.801 25.278 1.00 0.11 C -ATOM 855 CD2 PHE A 105 51.902 22.548 23.499 1.00 0.11 C -ATOM 856 CE1 PHE A 105 53.617 24.598 24.357 1.00 0.11 C -ATOM 857 CE2 PHE A 105 52.563 23.338 22.560 1.00 0.11 C -ATOM 858 CZ PHE A 105 53.428 24.371 22.992 1.00 0.11 C +ATOM 841 N VAL A 104 54.902 18.327 25.574 1.00 0.00 N +ATOM 842 CA VAL A 104 55.553 19.389 26.327 1.00 0.00 C +ATOM 843 C VAL A 104 54.480 20.264 26.988 1.00 0.00 C +ATOM 844 O VAL A 104 54.658 20.670 28.133 1.00 0.00 O +ATOM 845 CB VAL A 104 56.470 20.304 25.432 1.00 0.00 C +ATOM 846 CG1 VAL A 104 57.146 19.494 24.361 1.00 0.00 C +ATOM 847 CG2 VAL A 104 55.665 21.437 24.836 1.00 0.00 C +ATOM 848 N PHE A 105 53.376 20.545 26.305 1.00 0.00 N +ATOM 849 CA PHE A 105 52.344 21.374 26.921 1.00 0.00 C +ATOM 850 C PHE A 105 51.540 20.607 27.942 1.00 0.00 C +ATOM 851 O PHE A 105 50.456 21.071 28.353 1.00 0.00 O +ATOM 852 CB PHE A 105 51.406 21.926 25.864 1.00 0.00 C +ATOM 853 CG PHE A 105 52.092 22.773 24.862 1.00 0.00 C +ATOM 854 CD1 PHE A 105 52.948 23.801 25.278 1.00 0.00 C +ATOM 855 CD2 PHE A 105 51.902 22.548 23.499 1.00 0.00 C +ATOM 856 CE1 PHE A 105 53.617 24.598 24.357 1.00 0.00 C +ATOM 857 CE2 PHE A 105 52.563 23.338 22.560 1.00 0.00 C +ATOM 858 CZ PHE A 105 53.428 24.371 22.992 1.00 0.00 C ATOM 859 N GLY A 106 52.032 19.446 28.352 1.00 0.00 N ATOM 860 CA GLY A 106 51.300 18.677 29.336 1.00 0.00 C ATOM 861 C GLY A 106 49.846 18.389 28.984 1.00 0.00 C ATOM 862 O GLY A 106 49.443 18.460 27.829 1.00 0.00 O -ATOM 863 N PRO A 107 49.031 18.045 29.982 1.00 0.11 N -ATOM 864 CA PRO A 107 47.624 17.746 29.726 1.00 0.11 C -ATOM 865 C PRO A 107 46.874 18.753 28.901 1.00 0.11 C -ATOM 866 O PRO A 107 45.934 18.369 28.208 1.00 0.11 O -ATOM 867 CB PRO A 107 47.040 17.563 31.135 1.00 0.11 C -ATOM 868 CG PRO A 107 48.051 18.183 32.042 1.00 0.11 C -ATOM 869 CD PRO A 107 49.349 17.841 31.401 1.00 0.11 C -ATOM 870 N THR A 108 47.268 20.020 28.942 1.00 0.66 N -ATOM 871 CA THR A 108 46.554 21.010 28.143 1.00 0.66 C -ATOM 872 C THR A 108 46.731 20.679 26.672 1.00 0.66 C -ATOM 873 O THR A 108 45.743 20.634 25.929 1.00 0.66 O -ATOM 874 CB THR A 108 47.053 22.434 28.418 1.00 0.66 C -ATOM 875 OG1 THR A 108 46.988 22.695 29.824 1.00 0.66 O -ATOM 876 CG2 THR A 108 46.168 23.443 27.709 1.00 0.66 C -ATOM 877 N GLY A 109 47.972 20.435 26.255 1.00 1.01 N -ATOM 878 CA GLY A 109 48.221 20.085 24.871 1.00 1.01 C -ATOM 879 C GLY A 109 47.509 18.805 24.476 1.00 1.01 C -ATOM 880 O GLY A 109 47.106 18.649 23.342 1.00 1.01 O +ATOM 863 N PRO A 107 49.031 18.045 29.982 1.00 0.00 N +ATOM 864 CA PRO A 107 47.624 17.746 29.726 1.00 0.00 C +ATOM 865 C PRO A 107 46.874 18.753 28.901 1.00 0.00 C +ATOM 866 O PRO A 107 45.934 18.369 28.208 1.00 0.00 O +ATOM 867 CB PRO A 107 47.040 17.563 31.135 1.00 0.00 C +ATOM 868 CG PRO A 107 48.051 18.183 32.042 1.00 0.00 C +ATOM 869 CD PRO A 107 49.349 17.841 31.401 1.00 0.00 C +ATOM 870 N THR A 108 47.268 20.020 28.942 1.00 0.00 N +ATOM 871 CA THR A 108 46.554 21.010 28.143 1.00 0.00 C +ATOM 872 C THR A 108 46.731 20.679 26.672 1.00 0.00 C +ATOM 873 O THR A 108 45.743 20.634 25.929 1.00 0.00 O +ATOM 874 CB THR A 108 47.053 22.434 28.418 1.00 0.00 C +ATOM 875 OG1 THR A 108 46.988 22.695 29.824 1.00 0.00 O +ATOM 876 CG2 THR A 108 46.168 23.443 27.709 1.00 0.00 C +ATOM 877 N GLY A 109 47.972 20.435 26.255 1.00 3.87 N +ATOM 878 CA GLY A 109 48.221 20.085 24.871 1.00 3.87 C +ATOM 879 C GLY A 109 47.509 18.805 24.476 1.00 3.87 C +ATOM 880 O GLY A 109 47.106 18.649 23.342 1.00 3.87 O ATOM 881 N CYS A 110 47.342 17.902 25.436 1.00 0.00 N ATOM 882 CA CYS A 110 46.710 16.607 25.237 1.00 0.00 C ATOM 883 C CYS A 110 45.250 16.801 25.048 1.00 0.00 C ATOM 884 O CYS A 110 44.613 16.051 24.304 1.00 0.00 O ATOM 885 CB CYS A 110 46.947 15.741 26.454 1.00 0.00 C ATOM 886 SG CYS A 110 46.245 14.064 26.418 1.00 0.00 S -ATOM 887 N ASN A 111 44.706 17.802 25.730 1.00 1.43 N -ATOM 888 CA ASN A 111 43.285 18.090 25.621 1.00 1.43 C -ATOM 889 C ASN A 111 42.993 18.725 24.281 1.00 1.43 C -ATOM 890 O ASN A 111 41.990 18.393 23.666 1.00 1.43 O -ATOM 891 CB ASN A 111 42.832 19.007 26.756 1.00 1.43 C -ATOM 892 CG ASN A 111 42.793 18.299 28.096 1.00 1.43 C -ATOM 893 OD1 ASN A 111 42.142 17.268 28.263 1.00 1.43 O -ATOM 894 ND2 ASN A 111 43.488 18.859 29.058 1.00 1.43 N -ATOM 895 N LEU A 112 43.860 19.625 23.823 1.00 0.18 N -ATOM 896 CA LEU A 112 43.666 20.273 22.525 1.00 0.18 C -ATOM 897 C LEU A 112 43.704 19.217 21.470 1.00 0.18 C -ATOM 898 O LEU A 112 42.803 19.126 20.645 1.00 0.18 O -ATOM 899 CB LEU A 112 44.782 21.287 22.260 1.00 0.18 C -ATOM 900 CG LEU A 112 44.800 22.515 23.176 1.00 0.18 C -ATOM 901 CD1 LEU A 112 46.073 23.298 22.920 1.00 0.18 C -ATOM 902 CD2 LEU A 112 43.538 23.372 22.953 1.00 0.18 C -ATOM 903 N GLU A 113 44.770 18.424 21.521 1.00 2.40 N -ATOM 904 CA GLU A 113 45.010 17.316 20.608 1.00 2.40 C -ATOM 905 C GLU A 113 43.772 16.389 20.579 1.00 2.40 C -ATOM 906 O GLU A 113 43.213 16.160 19.505 1.00 2.40 O -ATOM 907 CB GLU A 113 46.260 16.552 21.076 1.00 2.40 C -ATOM 908 CG GLU A 113 47.174 16.079 19.972 1.00 2.40 C -ATOM 909 CD GLU A 113 46.474 15.165 19.002 1.00 2.40 C -ATOM 910 OE1 GLU A 113 45.823 14.211 19.480 1.00 2.40 O -ATOM 911 OE2 GLU A 113 46.574 15.394 17.771 1.00 2.40 O -ATOM 912 N GLY A 114 43.335 15.890 21.739 1.00 0.68 N -ATOM 913 CA GLY A 114 42.184 15.004 21.789 1.00 0.68 C -ATOM 914 C GLY A 114 40.857 15.626 21.392 1.00 0.68 C -ATOM 915 O GLY A 114 40.156 15.093 20.544 1.00 0.68 O -ATOM 916 N PHE A 115 40.525 16.764 21.996 1.00 0.92 N -ATOM 917 CA PHE A 115 39.258 17.466 21.746 1.00 0.92 C -ATOM 918 C PHE A 115 39.011 17.775 20.281 1.00 0.92 C -ATOM 919 O PHE A 115 37.971 17.416 19.743 1.00 0.92 O -ATOM 920 CB PHE A 115 39.188 18.784 22.546 1.00 0.92 C -ATOM 921 CG PHE A 115 37.928 19.574 22.305 1.00 0.92 C -ATOM 922 CD1 PHE A 115 36.707 19.137 22.816 1.00 0.92 C -ATOM 923 CD2 PHE A 115 37.950 20.726 21.523 1.00 0.92 C -ATOM 924 CE1 PHE A 115 35.521 19.832 22.551 1.00 0.92 C -ATOM 925 CE2 PHE A 115 36.768 21.431 21.248 1.00 0.92 C -ATOM 926 CZ PHE A 115 35.553 20.978 21.765 1.00 0.92 C -ATOM 927 N PHE A 116 39.945 18.432 19.625 1.00 1.34 N -ATOM 928 CA PHE A 116 39.698 18.795 18.247 1.00 1.34 C -ATOM 929 C PHE A 116 39.623 17.645 17.300 1.00 1.34 C -ATOM 930 O PHE A 116 38.901 17.749 16.318 1.00 1.34 O -ATOM 931 CB PHE A 116 40.714 19.825 17.796 1.00 1.34 C -ATOM 932 CG PHE A 116 40.407 21.179 18.311 1.00 1.34 C -ATOM 933 CD1 PHE A 116 39.189 21.785 17.992 1.00 1.34 C -ATOM 934 CD2 PHE A 116 41.287 21.828 19.171 1.00 1.34 C -ATOM 935 CE1 PHE A 116 38.850 23.025 18.529 1.00 1.34 C -ATOM 936 CE2 PHE A 116 40.955 23.067 19.711 1.00 1.34 C -ATOM 937 CZ PHE A 116 39.734 23.668 19.392 1.00 1.34 C -ATOM 938 N ALA A 117 40.340 16.560 17.555 1.00 0.14 N -ATOM 939 CA ALA A 117 40.268 15.418 16.653 1.00 0.14 C -ATOM 940 C ALA A 117 38.926 14.719 16.852 1.00 0.14 C -ATOM 941 O ALA A 117 38.318 14.207 15.906 1.00 0.14 O -ATOM 942 CB ALA A 117 41.385 14.475 16.941 1.00 0.14 C -ATOM 943 N THR A 118 38.467 14.714 18.098 1.00 2.14 N -ATOM 944 CA THR A 118 37.192 14.105 18.457 1.00 2.14 C -ATOM 945 C THR A 118 36.070 14.962 17.890 1.00 2.14 C -ATOM 946 O THR A 118 35.169 14.443 17.193 1.00 2.14 O -ATOM 947 CB THR A 118 37.059 14.017 19.990 1.00 2.14 C -ATOM 948 OG1 THR A 118 38.126 13.214 20.508 1.00 2.14 O -ATOM 949 CG2 THR A 118 35.741 13.391 20.385 1.00 2.14 C -ATOM 950 N LEU A 119 36.125 16.260 18.183 1.00 0.04 N -ATOM 951 CA LEU A 119 35.141 17.216 17.691 1.00 0.04 C -ATOM 952 C LEU A 119 35.006 17.043 16.174 1.00 0.04 C -ATOM 953 O LEU A 119 33.899 16.961 15.643 1.00 0.04 O -ATOM 954 CB LEU A 119 35.613 18.639 18.016 1.00 0.04 C -ATOM 955 CG LEU A 119 34.595 19.613 18.594 1.00 0.04 C -ATOM 956 CD1 LEU A 119 35.031 21.034 18.280 1.00 0.04 C -ATOM 957 CD2 LEU A 119 33.234 19.327 17.985 1.00 0.04 C -ATOM 958 N GLY A 120 36.149 16.965 15.499 1.00 0.96 N -ATOM 959 CA GLY A 120 36.167 16.817 14.053 1.00 0.96 C -ATOM 960 C GLY A 120 35.584 15.526 13.515 1.00 0.96 C -ATOM 961 O GLY A 120 34.774 15.540 12.590 1.00 0.96 O +ATOM 887 N ASN A 111 44.706 17.802 25.730 1.00 0.00 N +ATOM 888 CA ASN A 111 43.285 18.090 25.621 1.00 0.00 C +ATOM 889 C ASN A 111 42.993 18.725 24.281 1.00 0.00 C +ATOM 890 O ASN A 111 41.990 18.393 23.666 1.00 0.00 O +ATOM 891 CB ASN A 111 42.832 19.007 26.756 1.00 0.00 C +ATOM 892 CG ASN A 111 42.793 18.299 28.096 1.00 0.00 C +ATOM 893 OD1 ASN A 111 42.142 17.268 28.263 1.00 0.00 O +ATOM 894 ND2 ASN A 111 43.488 18.859 29.058 1.00 0.00 N +ATOM 895 N LEU A 112 43.860 19.625 23.823 1.00 0.89 N +ATOM 896 CA LEU A 112 43.666 20.273 22.525 1.00 0.89 C +ATOM 897 C LEU A 112 43.704 19.217 21.470 1.00 0.89 C +ATOM 898 O LEU A 112 42.803 19.126 20.645 1.00 0.89 O +ATOM 899 CB LEU A 112 44.782 21.287 22.260 1.00 0.89 C +ATOM 900 CG LEU A 112 44.800 22.515 23.176 1.00 0.89 C +ATOM 901 CD1 LEU A 112 46.073 23.298 22.920 1.00 0.89 C +ATOM 902 CD2 LEU A 112 43.538 23.372 22.953 1.00 0.89 C +ATOM 903 N GLU A 113 44.770 18.424 21.521 1.00 0.00 N +ATOM 904 CA GLU A 113 45.010 17.316 20.608 1.00 0.00 C +ATOM 905 C GLU A 113 43.772 16.389 20.579 1.00 0.00 C +ATOM 906 O GLU A 113 43.213 16.160 19.505 1.00 0.00 O +ATOM 907 CB GLU A 113 46.260 16.552 21.076 1.00 0.00 C +ATOM 908 CG GLU A 113 47.174 16.079 19.972 1.00 0.00 C +ATOM 909 CD GLU A 113 46.474 15.165 19.002 1.00 0.00 C +ATOM 910 OE1 GLU A 113 45.823 14.211 19.480 1.00 0.00 O +ATOM 911 OE2 GLU A 113 46.574 15.394 17.771 1.00 0.00 O +ATOM 912 N GLY A 114 43.335 15.890 21.739 1.00 0.00 N +ATOM 913 CA GLY A 114 42.184 15.004 21.789 1.00 0.00 C +ATOM 914 C GLY A 114 40.857 15.626 21.392 1.00 0.00 C +ATOM 915 O GLY A 114 40.156 15.093 20.544 1.00 0.00 O +ATOM 916 N PHE A 115 40.525 16.764 21.996 1.00 0.00 N +ATOM 917 CA PHE A 115 39.258 17.466 21.746 1.00 0.00 C +ATOM 918 C PHE A 115 39.011 17.775 20.281 1.00 0.00 C +ATOM 919 O PHE A 115 37.971 17.416 19.743 1.00 0.00 O +ATOM 920 CB PHE A 115 39.188 18.784 22.546 1.00 0.00 C +ATOM 921 CG PHE A 115 37.928 19.574 22.305 1.00 0.00 C +ATOM 922 CD1 PHE A 115 36.707 19.137 22.816 1.00 0.00 C +ATOM 923 CD2 PHE A 115 37.950 20.726 21.523 1.00 0.00 C +ATOM 924 CE1 PHE A 115 35.521 19.832 22.551 1.00 0.00 C +ATOM 925 CE2 PHE A 115 36.768 21.431 21.248 1.00 0.00 C +ATOM 926 CZ PHE A 115 35.553 20.978 21.765 1.00 0.00 C +ATOM 927 N PHE A 116 39.945 18.432 19.625 1.00 5.84 N +ATOM 928 CA PHE A 116 39.698 18.795 18.247 1.00 5.84 C +ATOM 929 C PHE A 116 39.623 17.645 17.300 1.00 5.84 C +ATOM 930 O PHE A 116 38.901 17.749 16.318 1.00 5.84 O +ATOM 931 CB PHE A 116 40.714 19.825 17.796 1.00 5.84 C +ATOM 932 CG PHE A 116 40.407 21.179 18.311 1.00 5.84 C +ATOM 933 CD1 PHE A 116 39.189 21.785 17.992 1.00 5.84 C +ATOM 934 CD2 PHE A 116 41.287 21.828 19.171 1.00 5.84 C +ATOM 935 CE1 PHE A 116 38.850 23.025 18.529 1.00 5.84 C +ATOM 936 CE2 PHE A 116 40.955 23.067 19.711 1.00 5.84 C +ATOM 937 CZ PHE A 116 39.734 23.668 19.392 1.00 5.84 C +ATOM 938 N ALA A 117 40.340 16.560 17.555 1.00 0.00 N +ATOM 939 CA ALA A 117 40.268 15.418 16.653 1.00 0.00 C +ATOM 940 C ALA A 117 38.926 14.719 16.852 1.00 0.00 C +ATOM 941 O ALA A 117 38.318 14.207 15.906 1.00 0.00 O +ATOM 942 CB ALA A 117 41.385 14.475 16.941 1.00 0.00 C +ATOM 943 N THR A 118 38.467 14.714 18.098 1.00 4.66 N +ATOM 944 CA THR A 118 37.192 14.105 18.457 1.00 4.66 C +ATOM 945 C THR A 118 36.070 14.962 17.890 1.00 4.66 C +ATOM 946 O THR A 118 35.169 14.443 17.193 1.00 4.66 O +ATOM 947 CB THR A 118 37.059 14.017 19.990 1.00 4.66 C +ATOM 948 OG1 THR A 118 38.126 13.214 20.508 1.00 4.66 O +ATOM 949 CG2 THR A 118 35.741 13.391 20.385 1.00 4.66 C +ATOM 950 N LEU A 119 36.125 16.260 18.183 1.00 0.00 N +ATOM 951 CA LEU A 119 35.141 17.216 17.691 1.00 0.00 C +ATOM 952 C LEU A 119 35.006 17.043 16.174 1.00 0.00 C +ATOM 953 O LEU A 119 33.899 16.961 15.643 1.00 0.00 O +ATOM 954 CB LEU A 119 35.613 18.639 18.016 1.00 0.00 C +ATOM 955 CG LEU A 119 34.595 19.613 18.594 1.00 0.00 C +ATOM 956 CD1 LEU A 119 35.031 21.034 18.280 1.00 0.00 C +ATOM 957 CD2 LEU A 119 33.234 19.327 17.985 1.00 0.00 C +ATOM 958 N GLY A 120 36.149 16.965 15.499 1.00 0.00 N +ATOM 959 CA GLY A 120 36.167 16.817 14.053 1.00 0.00 C +ATOM 960 C GLY A 120 35.584 15.526 13.515 1.00 0.00 C +ATOM 961 O GLY A 120 34.774 15.540 12.590 1.00 0.00 O ATOM 962 N GLY A 121 36.000 14.401 14.074 1.00 0.00 N ATOM 963 CA GLY A 121 35.471 13.138 13.606 1.00 0.00 C ATOM 964 C GLY A 121 33.979 13.019 13.880 1.00 0.00 C ATOM 965 O GLY A 121 33.221 12.536 13.017 1.00 0.00 O -ATOM 966 N GLU A 122 33.560 13.469 15.072 1.00 15.55 N -ATOM 967 CA GLU A 122 32.159 13.396 15.494 1.00 15.55 C -ATOM 968 C GLU A 122 31.259 14.366 14.732 1.00 15.55 C -ATOM 969 O GLU A 122 30.062 14.091 14.566 1.00 15.55 O -ATOM 970 CB GLU A 122 32.039 13.619 17.007 1.00 15.55 C -ATOM 971 CG GLU A 122 32.225 12.355 17.839 1.00 15.55 C -ATOM 972 CD GLU A 122 31.240 11.244 17.481 1.00 15.55 C -ATOM 973 OE1 GLU A 122 30.049 11.544 17.254 1.00 15.55 O -ATOM 974 OE2 GLU A 122 31.649 10.062 17.443 1.00 15.55 O -ATOM 975 N ILE A 123 31.784 15.502 14.272 1.00 0.22 N -ATOM 976 CA ILE A 123 30.955 16.425 13.494 1.00 0.22 C -ATOM 977 C ILE A 123 30.746 15.817 12.111 1.00 0.22 C -ATOM 978 O ILE A 123 29.715 16.048 11.460 1.00 0.22 O -ATOM 979 CB ILE A 123 31.607 17.816 13.370 1.00 0.22 C -ATOM 980 CG1 ILE A 123 31.367 18.607 14.655 1.00 0.22 C -ATOM 981 CG2 ILE A 123 31.021 18.569 12.173 1.00 0.22 C -ATOM 982 CD1 ILE A 123 32.145 19.891 14.721 1.00 0.22 C -ATOM 983 N ALA A 124 31.730 15.039 11.666 1.00 4.91 N -ATOM 984 CA ALA A 124 31.636 14.352 10.391 1.00 4.91 C -ATOM 985 C ALA A 124 30.582 13.267 10.528 1.00 4.91 C -ATOM 986 O ALA A 124 29.701 13.171 9.693 1.00 4.91 O -ATOM 987 CB ALA A 124 32.968 13.739 10.031 1.00 4.91 C -ATOM 988 N LEU A 125 30.665 12.463 11.589 1.00100.00 N -ATOM 989 CA LEU A 125 29.704 11.375 11.834 1.00100.00 C -ATOM 990 C LEU A 125 28.282 11.895 11.884 1.00100.00 C -ATOM 991 O LEU A 125 27.410 11.354 11.224 1.00100.00 O -ATOM 992 CB LEU A 125 30.019 10.654 13.155 1.00100.00 C -ATOM 993 CG LEU A 125 29.030 9.604 13.678 1.00100.00 C -ATOM 994 CD1 LEU A 125 28.914 8.466 12.670 1.00100.00 C -ATOM 995 CD2 LEU A 125 29.477 9.092 15.057 1.00100.00 C -ATOM 996 N TRP A 126 28.041 12.940 12.660 1.00 0.39 N -ATOM 997 CA TRP A 126 26.703 13.453 12.753 1.00 0.39 C -ATOM 998 C TRP A 126 26.290 14.130 11.481 1.00 0.39 C -ATOM 999 O TRP A 126 25.110 14.088 11.143 1.00 0.39 O -ATOM 1000 CB TRP A 126 26.592 14.387 13.941 1.00 0.39 C -ATOM 1001 CG TRP A 126 26.599 13.630 15.210 1.00 0.39 C -ATOM 1002 CD1 TRP A 126 27.573 13.622 16.159 1.00 0.39 C -ATOM 1003 CD2 TRP A 126 25.596 12.721 15.658 1.00 0.39 C -ATOM 1004 NE1 TRP A 126 27.244 12.762 17.176 1.00 0.39 N -ATOM 1005 CE2 TRP A 126 26.032 12.194 16.892 1.00 0.39 C -ATOM 1006 CE3 TRP A 126 24.370 12.297 15.135 1.00 0.39 C -ATOM 1007 CZ2 TRP A 126 25.285 11.263 17.613 1.00 0.39 C -ATOM 1008 CZ3 TRP A 126 23.628 11.375 15.850 1.00 0.39 C -ATOM 1009 CH2 TRP A 126 24.089 10.867 17.078 1.00 0.39 C +ATOM 966 N GLU A 122 33.560 13.469 15.072 1.00 0.00 N +ATOM 967 CA GLU A 122 32.159 13.396 15.494 1.00 0.00 C +ATOM 968 C GLU A 122 31.259 14.366 14.732 1.00 0.00 C +ATOM 969 O GLU A 122 30.062 14.091 14.566 1.00 0.00 O +ATOM 970 CB GLU A 122 32.039 13.619 17.007 1.00 0.00 C +ATOM 971 CG GLU A 122 32.225 12.355 17.839 1.00 0.00 C +ATOM 972 CD GLU A 122 31.240 11.244 17.481 1.00 0.00 C +ATOM 973 OE1 GLU A 122 30.049 11.544 17.254 1.00 0.00 O +ATOM 974 OE2 GLU A 122 31.649 10.062 17.443 1.00 0.00 O +ATOM 975 N ILE A 123 31.784 15.502 14.272 1.00 0.00 N +ATOM 976 CA ILE A 123 30.955 16.425 13.494 1.00 0.00 C +ATOM 977 C ILE A 123 30.746 15.817 12.111 1.00 0.00 C +ATOM 978 O ILE A 123 29.715 16.048 11.460 1.00 0.00 O +ATOM 979 CB ILE A 123 31.607 17.816 13.370 1.00 0.00 C +ATOM 980 CG1 ILE A 123 31.367 18.607 14.655 1.00 0.00 C +ATOM 981 CG2 ILE A 123 31.021 18.569 12.173 1.00 0.00 C +ATOM 982 CD1 ILE A 123 32.145 19.891 14.721 1.00 0.00 C +ATOM 983 N ALA A 124 31.730 15.039 11.666 1.00 0.00 N +ATOM 984 CA ALA A 124 31.636 14.352 10.391 1.00 0.00 C +ATOM 985 C ALA A 124 30.582 13.267 10.528 1.00 0.00 C +ATOM 986 O ALA A 124 29.701 13.171 9.693 1.00 0.00 O +ATOM 987 CB ALA A 124 32.968 13.739 10.031 1.00 0.00 C +ATOM 988 N LEU A 125 30.665 12.463 11.589 1.00 0.00 N +ATOM 989 CA LEU A 125 29.704 11.375 11.834 1.00 0.00 C +ATOM 990 C LEU A 125 28.282 11.895 11.884 1.00 0.00 C +ATOM 991 O LEU A 125 27.410 11.354 11.224 1.00 0.00 O +ATOM 992 CB LEU A 125 30.019 10.654 13.155 1.00 0.00 C +ATOM 993 CG LEU A 125 29.030 9.604 13.678 1.00 0.00 C +ATOM 994 CD1 LEU A 125 28.914 8.466 12.670 1.00 0.00 C +ATOM 995 CD2 LEU A 125 29.477 9.092 15.057 1.00 0.00 C +ATOM 996 N TRP A 126 28.041 12.940 12.660 1.00 0.00 N +ATOM 997 CA TRP A 126 26.703 13.453 12.753 1.00 0.00 C +ATOM 998 C TRP A 126 26.290 14.130 11.481 1.00 0.00 C +ATOM 999 O TRP A 126 25.110 14.088 11.143 1.00 0.00 O +ATOM 1000 CB TRP A 126 26.592 14.387 13.941 1.00 0.00 C +ATOM 1001 CG TRP A 126 26.599 13.630 15.210 1.00 0.00 C +ATOM 1002 CD1 TRP A 126 27.573 13.622 16.159 1.00 0.00 C +ATOM 1003 CD2 TRP A 126 25.596 12.721 15.658 1.00 0.00 C +ATOM 1004 NE1 TRP A 126 27.244 12.762 17.176 1.00 0.00 N +ATOM 1005 CE2 TRP A 126 26.032 12.194 16.892 1.00 0.00 C +ATOM 1006 CE3 TRP A 126 24.370 12.297 15.135 1.00 0.00 C +ATOM 1007 CZ2 TRP A 126 25.285 11.263 17.613 1.00 0.00 C +ATOM 1008 CZ3 TRP A 126 23.628 11.375 15.850 1.00 0.00 C +ATOM 1009 CH2 TRP A 126 24.089 10.867 17.078 1.00 0.00 C ATOM 1010 N SER A 127 27.223 14.749 10.767 1.00 0.00 N ATOM 1011 CA SER A 127 26.855 15.402 9.517 1.00 0.00 C ATOM 1012 C SER A 127 26.419 14.344 8.515 1.00 0.00 C @@ -1697,20 +1697,20 @@ ATOM 1020 CB LEU A 128 27.412 10.803 7.991 1.00 0.00 C ATOM 1021 CG LEU A 128 28.738 10.996 7.270 1.00 0.00 C ATOM 1022 CD1 LEU A 128 29.651 9.812 7.537 1.00 0.00 C ATOM 1023 CD2 LEU A 128 28.465 11.159 5.775 1.00 0.00 C -ATOM 1024 N VAL A 129 24.618 11.600 9.359 1.00 0.09 N -ATOM 1025 CA VAL A 129 23.264 11.197 9.709 1.00 0.09 C -ATOM 1026 C VAL A 129 22.305 12.220 9.100 1.00 0.09 C -ATOM 1027 O VAL A 129 21.247 11.831 8.564 1.00 0.09 O -ATOM 1028 CB VAL A 129 23.074 11.126 11.249 1.00 0.09 C -ATOM 1029 CG1 VAL A 129 21.662 10.683 11.568 1.00 0.09 C -ATOM 1030 CG2 VAL A 129 24.064 10.153 11.860 1.00 0.09 C -ATOM 1031 N VAL A 130 22.679 13.504 9.166 1.00 0.05 N -ATOM 1032 CA VAL A 130 21.869 14.585 8.602 1.00 0.05 C -ATOM 1033 C VAL A 130 21.708 14.342 7.099 1.00 0.05 C -ATOM 1034 O VAL A 130 20.589 14.379 6.573 1.00 0.05 O -ATOM 1035 CB VAL A 130 22.531 15.967 8.850 1.00 0.05 C -ATOM 1036 CG1 VAL A 130 21.680 17.080 8.282 1.00 0.05 C -ATOM 1037 CG2 VAL A 130 22.725 16.172 10.335 1.00 0.05 C +ATOM 1024 N VAL A 129 24.618 11.600 9.359 1.00 0.00 N +ATOM 1025 CA VAL A 129 23.264 11.197 9.709 1.00 0.00 C +ATOM 1026 C VAL A 129 22.305 12.220 9.100 1.00 0.00 C +ATOM 1027 O VAL A 129 21.247 11.831 8.564 1.00 0.00 O +ATOM 1028 CB VAL A 129 23.074 11.126 11.249 1.00 0.00 C +ATOM 1029 CG1 VAL A 129 21.662 10.683 11.568 1.00 0.00 C +ATOM 1030 CG2 VAL A 129 24.064 10.153 11.860 1.00 0.00 C +ATOM 1031 N VAL A 130 22.679 13.504 9.166 1.00 0.00 N +ATOM 1032 CA VAL A 130 21.869 14.585 8.602 1.00 0.00 C +ATOM 1033 C VAL A 130 21.708 14.342 7.099 1.00 0.00 C +ATOM 1034 O VAL A 130 20.589 14.379 6.573 1.00 0.00 O +ATOM 1035 CB VAL A 130 22.531 15.967 8.850 1.00 0.00 C +ATOM 1036 CG1 VAL A 130 21.680 17.080 8.282 1.00 0.00 C +ATOM 1037 CG2 VAL A 130 22.725 16.172 10.335 1.00 0.00 C ATOM 1038 N LEU A 131 22.815 14.076 6.413 1.00 0.00 N ATOM 1039 CA LEU A 131 22.770 13.806 4.983 1.00 0.00 C ATOM 1040 C LEU A 131 21.883 12.582 4.723 1.00 0.00 C @@ -1724,14 +1724,14 @@ ATOM 1047 CA ALA A 132 21.253 10.309 5.345 1.00 0.00 C ATOM 1048 C ALA A 132 19.795 10.701 5.339 1.00 0.00 C ATOM 1049 O ALA A 132 19.041 10.240 4.499 1.00 0.00 O ATOM 1050 CB ALA A 132 21.530 9.334 6.487 1.00 0.00 C -ATOM 1051 N ILE A 133 19.405 11.555 6.274 1.00 0.80 N -ATOM 1052 CA ILE A 133 18.033 12.012 6.355 1.00 0.80 C -ATOM 1053 C ILE A 133 17.693 12.818 5.133 1.00 0.80 C -ATOM 1054 O ILE A 133 16.884 12.388 4.324 1.00 0.80 O -ATOM 1055 CB ILE A 133 17.824 12.883 7.585 1.00 0.80 C -ATOM 1056 CG1 ILE A 133 18.160 12.072 8.835 1.00 0.80 C -ATOM 1057 CG2 ILE A 133 16.412 13.426 7.609 1.00 0.80 C -ATOM 1058 CD1 ILE A 133 17.660 10.630 8.792 1.00 0.80 C +ATOM 1051 N ILE A 133 19.405 11.555 6.274 1.00 0.00 N +ATOM 1052 CA ILE A 133 18.033 12.012 6.355 1.00 0.00 C +ATOM 1053 C ILE A 133 17.693 12.818 5.133 1.00 0.00 C +ATOM 1054 O ILE A 133 16.884 12.388 4.324 1.00 0.00 O +ATOM 1055 CB ILE A 133 17.824 12.883 7.585 1.00 0.00 C +ATOM 1056 CG1 ILE A 133 18.160 12.072 8.835 1.00 0.00 C +ATOM 1057 CG2 ILE A 133 16.412 13.426 7.609 1.00 0.00 C +ATOM 1058 CD1 ILE A 133 17.660 10.630 8.792 1.00 0.00 C ATOM 1059 N GLU A 134 18.304 13.987 4.999 1.00 0.00 N ATOM 1060 CA GLU A 134 18.049 14.837 3.853 1.00 0.00 C ATOM 1061 C GLU A 134 18.027 13.981 2.618 1.00 0.00 C @@ -1764,13 +1764,13 @@ ATOM 1087 CE1 TYR A 136 13.532 6.702 3.327 1.00 0.00 C ATOM 1088 CE2 TYR A 136 12.357 8.512 4.415 1.00 0.00 C ATOM 1089 CZ TYR A 136 12.377 7.225 3.878 1.00 0.00 C ATOM 1090 OH TYR A 136 11.250 6.447 3.875 1.00 0.00 O -ATOM 1091 N VAL A 137 14.740 12.083 2.737 1.00 0.06 N -ATOM 1092 CA VAL A 137 13.622 12.979 2.503 1.00 0.06 C -ATOM 1093 C VAL A 137 13.493 13.369 1.049 1.00 0.06 C -ATOM 1094 O VAL A 137 12.384 13.562 0.586 1.00 0.06 O -ATOM 1095 CB VAL A 137 13.742 14.250 3.363 1.00 0.06 C -ATOM 1096 CG1 VAL A 137 12.711 15.271 2.956 1.00 0.06 C -ATOM 1097 CG2 VAL A 137 13.538 13.896 4.799 1.00 0.06 C +ATOM 1091 N VAL A 137 14.740 12.083 2.737 1.00 0.00 N +ATOM 1092 CA VAL A 137 13.622 12.979 2.503 1.00 0.00 C +ATOM 1093 C VAL A 137 13.493 13.369 1.049 1.00 0.00 C +ATOM 1094 O VAL A 137 12.384 13.562 0.586 1.00 0.00 O +ATOM 1095 CB VAL A 137 13.742 14.250 3.363 1.00 0.00 C +ATOM 1096 CG1 VAL A 137 12.711 15.271 2.956 1.00 0.00 C +ATOM 1097 CG2 VAL A 137 13.538 13.896 4.799 1.00 0.00 C ATOM 1098 N VAL A 138 14.588 13.490 0.312 1.00 0.00 N ATOM 1099 CA VAL A 138 14.447 13.889 -1.083 1.00 0.00 C ATOM 1100 C VAL A 138 14.168 12.695 -1.956 1.00 0.00 C @@ -1791,15 +1791,15 @@ ATOM 1114 C CYS A 140 10.884 9.504 -0.448 1.00 0.00 C ATOM 1115 O CYS A 140 9.773 9.141 -0.060 1.00 0.00 O ATOM 1116 CB CYS A 140 12.198 7.492 0.391 1.00 0.00 C ATOM 1117 SG CYS A 140 13.338 6.132 -0.026 1.00 0.00 S -ATOM 1118 N LYS A 141 11.217 10.783 -0.639 1.00 0.03 N -ATOM 1119 CA LYS A 141 10.338 11.948 -0.408 1.00 0.03 C -ATOM 1120 C LYS A 141 9.090 11.656 0.453 1.00 0.03 C -ATOM 1121 O LYS A 141 8.046 11.291 -0.096 1.00 0.03 O -ATOM 1122 CB LYS A 141 9.917 12.551 -1.760 1.00 0.03 C -ATOM 1123 CG LYS A 141 9.454 13.998 -1.680 1.00 0.03 C -ATOM 1124 CD LYS A 141 9.399 14.627 -3.055 1.00 0.03 C -ATOM 1125 CE LYS A 141 9.160 16.122 -2.961 1.00 0.03 C -ATOM 1126 NZ LYS A 141 9.227 16.777 -4.300 1.00 0.03 N +ATOM 1118 N LYS A 141 11.217 10.783 -0.639 1.00 0.00 N +ATOM 1119 CA LYS A 141 10.338 11.948 -0.408 1.00 0.00 C +ATOM 1120 C LYS A 141 9.090 11.656 0.453 1.00 0.00 C +ATOM 1121 O LYS A 141 8.046 11.291 -0.096 1.00 0.00 O +ATOM 1122 CB LYS A 141 9.917 12.551 -1.760 1.00 0.00 C +ATOM 1123 CG LYS A 141 9.454 13.998 -1.680 1.00 0.00 C +ATOM 1124 CD LYS A 141 9.399 14.627 -3.055 1.00 0.00 C +ATOM 1125 CE LYS A 141 9.160 16.122 -2.961 1.00 0.00 C +ATOM 1126 NZ LYS A 141 9.227 16.777 -4.300 1.00 0.00 N ATOM 1127 N PRO A 142 9.183 11.838 1.798 1.00 0.00 N ATOM 1128 CA PRO A 142 8.106 11.619 2.785 1.00 0.00 C ATOM 1129 C PRO A 142 6.910 12.563 2.672 1.00 0.00 C @@ -1807,20 +1807,20 @@ ATOM 1130 O PRO A 142 5.779 12.140 2.923 1.00 0.00 O ATOM 1131 CB PRO A 142 8.826 11.778 4.127 1.00 0.00 C ATOM 1132 CG PRO A 142 10.216 11.326 3.823 1.00 0.00 C ATOM 1133 CD PRO A 142 10.473 12.010 2.495 1.00 0.00 C -ATOM 1134 N MET A 143 7.156 13.827 2.331 1.00 0.28 N -ATOM 1135 CA MET A 143 6.079 14.805 2.170 1.00 0.28 C -ATOM 1136 C MET A 143 5.697 14.887 0.718 1.00 0.28 C -ATOM 1137 O MET A 143 6.450 14.442 -0.150 1.00 0.28 O -ATOM 1138 CB MET A 143 6.510 16.196 2.636 1.00 0.28 C -ATOM 1139 CG MET A 143 6.479 16.399 4.132 1.00 0.28 C -ATOM 1140 SD MET A 143 7.517 15.222 4.983 1.00 0.28 S -ATOM 1141 CE MET A 143 6.259 14.100 5.656 1.00 0.28 C -ATOM 1142 N SER A 144 4.534 15.462 0.447 1.00 0.01 N -ATOM 1143 CA SER A 144 4.069 15.587 -0.922 1.00 0.01 C -ATOM 1144 C SER A 144 4.270 17.008 -1.397 1.00 0.01 C -ATOM 1145 O SER A 144 3.679 17.408 -2.405 1.00 0.01 O -ATOM 1146 CB SER A 144 2.591 15.190 -1.013 1.00 0.01 C -ATOM 1147 OG SER A 144 2.413 13.816 -0.689 1.00 0.01 O +ATOM 1134 N MET A 143 7.156 13.827 2.331 1.00 0.00 N +ATOM 1135 CA MET A 143 6.079 14.805 2.170 1.00 0.00 C +ATOM 1136 C MET A 143 5.697 14.887 0.718 1.00 0.00 C +ATOM 1137 O MET A 143 6.450 14.442 -0.150 1.00 0.00 O +ATOM 1138 CB MET A 143 6.510 16.196 2.636 1.00 0.00 C +ATOM 1139 CG MET A 143 6.479 16.399 4.132 1.00 0.00 C +ATOM 1140 SD MET A 143 7.517 15.222 4.983 1.00 0.00 S +ATOM 1141 CE MET A 143 6.259 14.100 5.656 1.00 0.00 C +ATOM 1142 N SER A 144 4.534 15.462 0.447 1.00 0.00 N +ATOM 1143 CA SER A 144 4.069 15.587 -0.922 1.00 0.00 C +ATOM 1144 C SER A 144 4.270 17.008 -1.397 1.00 0.00 C +ATOM 1145 O SER A 144 3.679 17.408 -2.405 1.00 0.00 O +ATOM 1146 CB SER A 144 2.591 15.190 -1.013 1.00 0.00 C +ATOM 1147 OG SER A 144 2.413 13.816 -0.689 1.00 0.00 O ATOM 1148 N ASN A 145 5.112 17.761 -0.693 1.00 0.00 N ATOM 1149 CA ASN A 145 5.369 19.151 -1.060 1.00 0.00 C ATOM 1150 C ASN A 145 6.400 19.775 -0.136 1.00 0.00 C @@ -1840,17 +1840,17 @@ ATOM 1163 CD2 PHE A 146 10.892 18.488 3.437 1.00 0.00 C ATOM 1164 CE1 PHE A 146 10.369 20.676 5.069 1.00 0.00 C ATOM 1165 CE2 PHE A 146 11.879 18.958 4.302 1.00 0.00 C ATOM 1166 CZ PHE A 146 11.616 20.053 5.120 1.00 0.00 C -ATOM 1167 N ARG A 147 10.523 20.733 1.054 1.00 0.23 N -ATOM 1168 CA ARG A 147 11.858 21.103 0.570 1.00 0.23 C -ATOM 1169 C ARG A 147 12.668 21.744 1.705 1.00 0.23 C -ATOM 1170 O ARG A 147 12.159 22.633 2.415 1.00 0.23 O -ATOM 1171 CB ARG A 147 11.741 22.102 -0.585 1.00 0.23 C -ATOM 1172 CG ARG A 147 13.067 22.497 -1.224 1.00 0.23 C -ATOM 1173 CD ARG A 147 12.894 23.730 -2.112 1.00 0.23 C -ATOM 1174 NE ARG A 147 12.633 24.944 -1.335 1.00 0.23 N -ATOM 1175 CZ ARG A 147 12.365 26.144 -1.858 1.00 0.23 C -ATOM 1176 NH1 ARG A 147 12.314 26.312 -3.177 1.00 0.23 N -ATOM 1177 NH2 ARG A 147 12.157 27.188 -1.059 1.00 0.23 N +ATOM 1167 N ARG A 147 10.523 20.733 1.054 1.00 0.00 N +ATOM 1168 CA ARG A 147 11.858 21.103 0.570 1.00 0.00 C +ATOM 1169 C ARG A 147 12.668 21.744 1.705 1.00 0.00 C +ATOM 1170 O ARG A 147 12.159 22.633 2.415 1.00 0.00 O +ATOM 1171 CB ARG A 147 11.741 22.102 -0.585 1.00 0.00 C +ATOM 1172 CG ARG A 147 13.067 22.497 -1.224 1.00 0.00 C +ATOM 1173 CD ARG A 147 12.894 23.730 -2.112 1.00 0.00 C +ATOM 1174 NE ARG A 147 12.633 24.944 -1.335 1.00 0.00 N +ATOM 1175 CZ ARG A 147 12.365 26.144 -1.858 1.00 0.00 C +ATOM 1176 NH1 ARG A 147 12.314 26.312 -3.177 1.00 0.00 N +ATOM 1177 NH2 ARG A 147 12.157 27.188 -1.059 1.00 0.00 N ATOM 1178 N PHE A 148 13.918 21.305 1.859 1.00 0.00 N ATOM 1179 CA PHE A 148 14.805 21.820 2.896 1.00 0.00 C ATOM 1180 C PHE A 148 15.227 23.241 2.602 1.00 0.00 C @@ -1862,27 +1862,27 @@ ATOM 1185 CD2 PHE A 148 15.786 18.468 2.793 1.00 0.00 C ATOM 1186 CE1 PHE A 148 15.252 18.229 5.491 1.00 0.00 C ATOM 1187 CE2 PHE A 148 15.517 17.218 3.338 1.00 0.00 C ATOM 1188 CZ PHE A 148 15.249 17.100 4.686 1.00 0.00 C -ATOM 1189 N GLY A 149 14.850 24.177 3.466 1.00 0.16 N -ATOM 1190 CA GLY A 149 15.264 25.550 3.266 1.00 0.16 C -ATOM 1191 C GLY A 149 16.660 25.675 3.851 1.00 0.16 C -ATOM 1192 O GLY A 149 17.214 24.699 4.361 1.00 0.16 O -ATOM 1193 N GLU A 150 17.245 26.863 3.777 1.00 0.93 N -ATOM 1194 CA GLU A 150 18.574 27.074 4.328 1.00 0.93 C -ATOM 1195 C GLU A 150 18.506 26.996 5.828 1.00 0.93 C -ATOM 1196 O GLU A 150 19.483 26.681 6.503 1.00 0.93 O -ATOM 1197 CB GLU A 150 19.101 28.426 3.878 1.00 0.93 C -ATOM 1198 CG GLU A 150 19.810 28.329 2.553 1.00 0.93 C -ATOM 1199 CD GLU A 150 19.896 29.647 1.844 1.00 0.93 C -ATOM 1200 OE1 GLU A 150 20.184 30.670 2.500 1.00 0.93 O -ATOM 1201 OE2 GLU A 150 19.680 29.652 0.616 1.00 0.93 O -ATOM 1202 N ASN A 151 17.328 27.283 6.347 1.00 2.27 N -ATOM 1203 CA ASN A 151 17.094 27.227 7.770 1.00 2.27 C -ATOM 1204 C ASN A 151 17.369 25.808 8.240 1.00 2.27 C -ATOM 1205 O ASN A 151 18.169 25.611 9.156 1.00 2.27 O -ATOM 1206 CB ASN A 151 15.647 27.658 8.050 1.00 2.27 C -ATOM 1207 CG ASN A 151 14.642 27.002 7.103 1.00 2.27 C -ATOM 1208 OD1 ASN A 151 14.849 26.943 5.886 1.00 2.27 O -ATOM 1209 ND2 ASN A 151 13.535 26.521 7.663 1.00 2.27 N +ATOM 1189 N GLY A 149 14.850 24.177 3.466 1.00 0.00 N +ATOM 1190 CA GLY A 149 15.264 25.550 3.266 1.00 0.00 C +ATOM 1191 C GLY A 149 16.660 25.675 3.851 1.00 0.00 C +ATOM 1192 O GLY A 149 17.214 24.699 4.361 1.00 0.00 O +ATOM 1193 N GLU A 150 17.245 26.863 3.777 1.00 6.82 N +ATOM 1194 CA GLU A 150 18.574 27.074 4.328 1.00 6.82 C +ATOM 1195 C GLU A 150 18.506 26.996 5.828 1.00 6.82 C +ATOM 1196 O GLU A 150 19.483 26.681 6.503 1.00 6.82 O +ATOM 1197 CB GLU A 150 19.101 28.426 3.878 1.00 6.82 C +ATOM 1198 CG GLU A 150 19.810 28.329 2.553 1.00 6.82 C +ATOM 1199 CD GLU A 150 19.896 29.647 1.844 1.00 6.82 C +ATOM 1200 OE1 GLU A 150 20.184 30.670 2.500 1.00 6.82 O +ATOM 1201 OE2 GLU A 150 19.680 29.652 0.616 1.00 6.82 O +ATOM 1202 N ASN A 151 17.328 27.283 6.347 1.00 0.00 N +ATOM 1203 CA ASN A 151 17.094 27.227 7.770 1.00 0.00 C +ATOM 1204 C ASN A 151 17.369 25.808 8.240 1.00 0.00 C +ATOM 1205 O ASN A 151 18.169 25.611 9.156 1.00 0.00 O +ATOM 1206 CB ASN A 151 15.647 27.658 8.050 1.00 0.00 C +ATOM 1207 CG ASN A 151 14.642 27.002 7.103 1.00 0.00 C +ATOM 1208 OD1 ASN A 151 14.849 26.943 5.886 1.00 0.00 O +ATOM 1209 ND2 ASN A 151 13.535 26.521 7.663 1.00 0.00 N ATOM 1210 N HIS A 152 16.736 24.831 7.595 1.00 0.00 N ATOM 1211 CA HIS A 152 16.915 23.420 7.940 1.00 0.00 C ATOM 1212 C HIS A 152 18.384 23.089 7.922 1.00 0.00 C @@ -1893,61 +1893,61 @@ ATOM 1216 ND1 HIS A 152 13.981 22.392 5.699 1.00 0.00 N ATOM 1217 CD2 HIS A 152 13.908 23.661 7.477 1.00 0.00 C ATOM 1218 CE1 HIS A 152 12.755 22.883 5.779 1.00 0.00 C ATOM 1219 NE2 HIS A 152 12.685 23.656 6.849 1.00 0.00 N -ATOM 1220 N ALA A 153 19.069 23.452 6.843 1.00 0.02 N -ATOM 1221 CA ALA A 153 20.493 23.187 6.718 1.00 0.02 C -ATOM 1222 C ALA A 153 21.223 23.716 7.934 1.00 0.02 C -ATOM 1223 O ALA A 153 22.113 23.061 8.474 1.00 0.02 O -ATOM 1224 CB ALA A 153 21.022 23.839 5.462 1.00 0.02 C -ATOM 1225 N ILE A 154 20.842 24.902 8.368 1.00 0.28 N -ATOM 1226 CA ILE A 154 21.464 25.505 9.521 1.00 0.28 C -ATOM 1227 C ILE A 154 21.033 24.755 10.761 1.00 0.28 C -ATOM 1228 O ILE A 154 21.677 24.812 11.791 1.00 0.28 O -ATOM 1229 CB ILE A 154 21.075 26.969 9.586 1.00 0.28 C -ATOM 1230 CG1 ILE A 154 21.396 27.614 8.242 1.00 0.28 C -ATOM 1231 CG2 ILE A 154 21.847 27.661 10.670 1.00 0.28 C -ATOM 1232 CD1 ILE A 154 20.961 29.022 8.114 1.00 0.28 C -ATOM 1233 N MET A 155 19.935 24.032 10.652 1.00 0.10 N -ATOM 1234 CA MET A 155 19.456 23.248 11.771 1.00 0.10 C -ATOM 1235 C MET A 155 20.309 22.042 11.889 1.00 0.10 C -ATOM 1236 O MET A 155 20.801 21.744 12.961 1.00 0.10 O -ATOM 1237 CB MET A 155 18.011 22.818 11.546 1.00 0.10 C -ATOM 1238 CG MET A 155 17.064 23.980 11.540 1.00 0.10 C -ATOM 1239 SD MET A 155 17.322 24.921 13.062 1.00 0.10 S -ATOM 1240 CE MET A 155 18.672 26.152 12.569 1.00 0.10 C +ATOM 1220 N ALA A 153 19.069 23.452 6.843 1.00 0.00 N +ATOM 1221 CA ALA A 153 20.493 23.187 6.718 1.00 0.00 C +ATOM 1222 C ALA A 153 21.223 23.716 7.934 1.00 0.00 C +ATOM 1223 O ALA A 153 22.113 23.061 8.474 1.00 0.00 O +ATOM 1224 CB ALA A 153 21.022 23.839 5.462 1.00 0.00 C +ATOM 1225 N ILE A 154 20.842 24.902 8.368 1.00 0.00 N +ATOM 1226 CA ILE A 154 21.464 25.505 9.521 1.00 0.00 C +ATOM 1227 C ILE A 154 21.033 24.755 10.761 1.00 0.00 C +ATOM 1228 O ILE A 154 21.677 24.812 11.791 1.00 0.00 O +ATOM 1229 CB ILE A 154 21.075 26.969 9.586 1.00 0.00 C +ATOM 1230 CG1 ILE A 154 21.396 27.614 8.242 1.00 0.00 C +ATOM 1231 CG2 ILE A 154 21.847 27.661 10.670 1.00 0.00 C +ATOM 1232 CD1 ILE A 154 20.961 29.022 8.114 1.00 0.00 C +ATOM 1233 N MET A 155 19.935 24.032 10.652 1.00 0.00 N +ATOM 1234 CA MET A 155 19.456 23.248 11.771 1.00 0.00 C +ATOM 1235 C MET A 155 20.309 22.042 11.889 1.00 0.00 C +ATOM 1236 O MET A 155 20.801 21.744 12.961 1.00 0.00 O +ATOM 1237 CB MET A 155 18.011 22.818 11.546 1.00 0.00 C +ATOM 1238 CG MET A 155 17.064 23.980 11.540 1.00 0.00 C +ATOM 1239 SD MET A 155 17.322 24.921 13.062 1.00 0.00 S +ATOM 1240 CE MET A 155 18.672 26.152 12.569 1.00 0.00 C ATOM 1241 N GLY A 156 20.474 21.343 10.776 1.00 0.00 N ATOM 1242 CA GLY A 156 21.287 20.154 10.771 1.00 0.00 C ATOM 1243 C GLY A 156 22.675 20.530 11.221 1.00 0.00 C ATOM 1244 O GLY A 156 23.258 19.860 12.065 1.00 0.00 O -ATOM 1245 N VAL A 157 23.202 21.621 10.682 1.00 0.27 N -ATOM 1246 CA VAL A 157 24.540 22.029 11.061 1.00 0.27 C -ATOM 1247 C VAL A 157 24.626 22.297 12.537 1.00 0.27 C -ATOM 1248 O VAL A 157 25.591 21.899 13.165 1.00 0.27 O -ATOM 1249 CB VAL A 157 24.988 23.262 10.291 1.00 0.27 C -ATOM 1250 CG1 VAL A 157 26.203 23.881 10.962 1.00 0.27 C -ATOM 1251 CG2 VAL A 157 25.320 22.861 8.867 1.00 0.27 C -ATOM 1252 N ALA A 158 23.628 22.962 13.096 1.00 0.16 N -ATOM 1253 CA ALA A 158 23.628 23.267 14.526 1.00 0.16 C -ATOM 1254 C ALA A 158 23.559 21.974 15.325 1.00 0.16 C -ATOM 1255 O ALA A 158 24.129 21.864 16.406 1.00 0.16 O -ATOM 1256 CB ALA A 158 22.431 24.150 14.858 1.00 0.16 C -ATOM 1257 N PHE A 159 22.855 21.000 14.772 1.00 0.58 N -ATOM 1258 CA PHE A 159 22.656 19.711 15.406 1.00 0.58 C -ATOM 1259 C PHE A 159 23.954 18.937 15.488 1.00 0.58 C -ATOM 1260 O PHE A 159 24.227 18.290 16.505 1.00 0.58 O -ATOM 1261 CB PHE A 159 21.611 18.930 14.602 1.00 0.58 C -ATOM 1262 CG PHE A 159 21.635 17.445 14.832 1.00 0.58 C -ATOM 1263 CD1 PHE A 159 21.179 16.898 16.018 1.00 0.58 C -ATOM 1264 CD2 PHE A 159 22.106 16.588 13.846 1.00 0.58 C -ATOM 1265 CE1 PHE A 159 21.189 15.515 16.218 1.00 0.58 C -ATOM 1266 CE2 PHE A 159 22.119 15.206 14.038 1.00 0.58 C -ATOM 1267 CZ PHE A 159 21.659 14.672 15.226 1.00 0.58 C -ATOM 1268 N THR A 160 24.752 18.990 14.430 1.00 0.01 N -ATOM 1269 CA THR A 160 26.001 18.252 14.420 1.00 0.01 C -ATOM 1270 C THR A 160 26.926 18.764 15.504 1.00 0.01 C -ATOM 1271 O THR A 160 27.655 17.963 16.086 1.00 0.01 O -ATOM 1272 CB THR A 160 26.708 18.343 13.052 1.00 0.01 C -ATOM 1273 OG1 THR A 160 27.057 19.704 12.777 1.00 0.01 O -ATOM 1274 CG2 THR A 160 25.810 17.821 11.955 1.00 0.01 C +ATOM 1245 N VAL A 157 23.202 21.621 10.682 1.00 0.00 N +ATOM 1246 CA VAL A 157 24.540 22.029 11.061 1.00 0.00 C +ATOM 1247 C VAL A 157 24.626 22.297 12.537 1.00 0.00 C +ATOM 1248 O VAL A 157 25.591 21.899 13.165 1.00 0.00 O +ATOM 1249 CB VAL A 157 24.988 23.262 10.291 1.00 0.00 C +ATOM 1250 CG1 VAL A 157 26.203 23.881 10.962 1.00 0.00 C +ATOM 1251 CG2 VAL A 157 25.320 22.861 8.867 1.00 0.00 C +ATOM 1252 N ALA A 158 23.628 22.962 13.096 1.00 0.00 N +ATOM 1253 CA ALA A 158 23.628 23.267 14.526 1.00 0.00 C +ATOM 1254 C ALA A 158 23.559 21.974 15.325 1.00 0.00 C +ATOM 1255 O ALA A 158 24.129 21.864 16.406 1.00 0.00 O +ATOM 1256 CB ALA A 158 22.431 24.150 14.858 1.00 0.00 C +ATOM 1257 N PHE A 159 22.855 21.000 14.772 1.00 0.00 N +ATOM 1258 CA PHE A 159 22.656 19.711 15.406 1.00 0.00 C +ATOM 1259 C PHE A 159 23.954 18.937 15.488 1.00 0.00 C +ATOM 1260 O PHE A 159 24.227 18.290 16.505 1.00 0.00 O +ATOM 1261 CB PHE A 159 21.611 18.930 14.602 1.00 0.00 C +ATOM 1262 CG PHE A 159 21.635 17.445 14.832 1.00 0.00 C +ATOM 1263 CD1 PHE A 159 21.179 16.898 16.018 1.00 0.00 C +ATOM 1264 CD2 PHE A 159 22.106 16.588 13.846 1.00 0.00 C +ATOM 1265 CE1 PHE A 159 21.189 15.515 16.218 1.00 0.00 C +ATOM 1266 CE2 PHE A 159 22.119 15.206 14.038 1.00 0.00 C +ATOM 1267 CZ PHE A 159 21.659 14.672 15.226 1.00 0.00 C +ATOM 1268 N THR A 160 24.752 18.990 14.430 1.00 0.00 N +ATOM 1269 CA THR A 160 26.001 18.252 14.420 1.00 0.00 C +ATOM 1270 C THR A 160 26.926 18.764 15.504 1.00 0.00 C +ATOM 1271 O THR A 160 27.655 17.963 16.086 1.00 0.00 O +ATOM 1272 CB THR A 160 26.708 18.343 13.052 1.00 0.00 C +ATOM 1273 OG1 THR A 160 27.057 19.704 12.777 1.00 0.00 O +ATOM 1274 CG2 THR A 160 25.810 17.821 11.955 1.00 0.00 C ATOM 1275 N TRP A 161 26.898 20.068 15.790 1.00 0.00 N ATOM 1276 CA TRP A 161 27.763 20.645 16.824 1.00 0.00 C ATOM 1277 C TRP A 161 27.278 20.353 18.221 1.00 0.00 C @@ -1962,62 +1962,62 @@ ATOM 1285 CE3 TRP A 161 31.029 22.902 16.872 1.00 0.00 C ATOM 1286 CZ2 TRP A 161 31.988 23.563 14.274 1.00 0.00 C ATOM 1287 CZ3 TRP A 161 32.364 23.275 16.654 1.00 0.00 C ATOM 1288 CH2 TRP A 161 32.827 23.601 15.360 1.00 0.00 C -ATOM 1289 N VAL A 162 25.979 20.166 18.402 1.00 8.55 N -ATOM 1290 CA VAL A 162 25.492 19.853 19.726 1.00 8.55 C -ATOM 1291 C VAL A 162 25.884 18.429 20.015 1.00 8.55 C -ATOM 1292 O VAL A 162 26.432 18.137 21.073 1.00 8.55 O -ATOM 1293 CB VAL A 162 23.982 19.988 19.786 1.00 8.55 C -ATOM 1294 CG1 VAL A 162 23.489 19.628 21.155 1.00 8.55 C -ATOM 1295 CG2 VAL A 162 23.592 21.404 19.422 1.00 8.55 C -ATOM 1296 N MET A 163 25.637 17.551 19.049 1.00 0.20 N -ATOM 1297 CA MET A 163 25.950 16.138 19.205 1.00 0.20 C -ATOM 1298 C MET A 163 27.428 15.904 19.382 1.00 0.20 C -ATOM 1299 O MET A 163 27.811 15.115 20.232 1.00 0.20 O -ATOM 1300 CB MET A 163 25.460 15.351 17.995 1.00 0.20 C -ATOM 1301 CG MET A 163 23.969 15.433 17.789 1.00 0.20 C -ATOM 1302 SD MET A 163 23.114 15.106 19.346 1.00 0.20 S -ATOM 1303 CE MET A 163 23.521 13.367 19.596 1.00 0.20 C -ATOM 1304 N ALA A 164 28.248 16.583 18.587 1.00 1.30 N -ATOM 1305 CA ALA A 164 29.692 16.415 18.646 1.00 1.30 C -ATOM 1306 C ALA A 164 30.241 16.946 19.940 1.00 1.30 C -ATOM 1307 O ALA A 164 31.168 16.350 20.496 1.00 1.30 O -ATOM 1308 CB ALA A 164 30.339 17.122 17.478 1.00 1.30 C -ATOM 1309 N LEU A 165 29.694 18.064 20.412 1.00 0.63 N -ATOM 1310 CA LEU A 165 30.136 18.676 21.668 1.00 0.63 C -ATOM 1311 C LEU A 165 29.749 17.765 22.823 1.00 0.63 C -ATOM 1312 O LEU A 165 30.493 17.645 23.806 1.00 0.63 O -ATOM 1313 CB LEU A 165 29.475 20.054 21.867 1.00 0.63 C -ATOM 1314 CG LEU A 165 30.150 21.363 21.437 1.00 0.63 C -ATOM 1315 CD1 LEU A 165 31.448 21.542 22.180 1.00 0.63 C -ATOM 1316 CD2 LEU A 165 30.410 21.358 19.975 1.00 0.63 C -ATOM 1317 N ALA A 166 28.587 17.131 22.696 1.00 0.76 N -ATOM 1318 CA ALA A 166 28.072 16.231 23.716 1.00 0.76 C -ATOM 1319 C ALA A 166 29.048 15.103 23.951 1.00 0.76 C -ATOM 1320 O ALA A 166 29.078 14.491 25.009 1.00 0.76 O -ATOM 1321 CB ALA A 166 26.734 15.670 23.267 1.00 0.76 C -ATOM 1322 N CYS A 167 29.869 14.832 22.961 1.00 1.51 N -ATOM 1323 CA CYS A 167 30.798 13.745 23.079 1.00 1.51 C -ATOM 1324 C CYS A 167 32.197 14.249 23.365 1.00 1.51 C -ATOM 1325 O CYS A 167 32.901 13.674 24.187 1.00 1.51 O -ATOM 1326 CB CYS A 167 30.758 12.958 21.773 1.00 1.51 C -ATOM 1327 SG CYS A 167 31.891 11.577 21.692 1.00 1.51 S -ATOM 1328 N ALA A 168 32.589 15.341 22.728 1.00 0.09 N -ATOM 1329 CA ALA A 168 33.949 15.838 22.878 1.00 0.09 C -ATOM 1330 C ALA A 168 34.193 16.692 24.106 1.00 0.09 C -ATOM 1331 O ALA A 168 35.280 16.618 24.685 1.00 0.09 O -ATOM 1332 CB ALA A 168 34.348 16.603 21.612 1.00 0.09 C -ATOM 1333 N ALA A 169 33.218 17.488 24.515 1.00 1.16 N -ATOM 1334 CA ALA A 169 33.419 18.382 25.646 1.00 1.16 C -ATOM 1335 C ALA A 169 33.424 17.693 27.039 1.00 1.16 C -ATOM 1336 O ALA A 169 34.183 18.121 27.931 1.00 1.16 O -ATOM 1337 CB ALA A 169 32.379 19.490 25.591 1.00 1.16 C -ATOM 1338 N PRO A 170 32.608 16.640 27.251 1.00 0.14 N -ATOM 1339 CA PRO A 170 32.605 15.991 28.569 1.00 0.14 C -ATOM 1340 C PRO A 170 33.964 15.691 29.159 1.00 0.14 C -ATOM 1341 O PRO A 170 34.200 15.999 30.303 1.00 0.14 O -ATOM 1342 CB PRO A 170 31.797 14.721 28.336 1.00 0.14 C -ATOM 1343 CG PRO A 170 30.870 15.102 27.234 1.00 0.14 C -ATOM 1344 CD PRO A 170 31.735 15.921 26.307 1.00 0.14 C +ATOM 1289 N VAL A 162 25.979 20.166 18.402 1.00 1.28 N +ATOM 1290 CA VAL A 162 25.492 19.853 19.726 1.00 1.28 C +ATOM 1291 C VAL A 162 25.884 18.429 20.015 1.00 1.28 C +ATOM 1292 O VAL A 162 26.432 18.137 21.073 1.00 1.28 O +ATOM 1293 CB VAL A 162 23.982 19.988 19.786 1.00 1.28 C +ATOM 1294 CG1 VAL A 162 23.489 19.628 21.155 1.00 1.28 C +ATOM 1295 CG2 VAL A 162 23.592 21.404 19.422 1.00 1.28 C +ATOM 1296 N MET A 163 25.637 17.551 19.049 1.00 0.00 N +ATOM 1297 CA MET A 163 25.950 16.138 19.205 1.00 0.00 C +ATOM 1298 C MET A 163 27.428 15.904 19.382 1.00 0.00 C +ATOM 1299 O MET A 163 27.811 15.115 20.232 1.00 0.00 O +ATOM 1300 CB MET A 163 25.460 15.351 17.995 1.00 0.00 C +ATOM 1301 CG MET A 163 23.969 15.433 17.789 1.00 0.00 C +ATOM 1302 SD MET A 163 23.114 15.106 19.346 1.00 0.00 S +ATOM 1303 CE MET A 163 23.521 13.367 19.596 1.00 0.00 C +ATOM 1304 N ALA A 164 28.248 16.583 18.587 1.00 26.89 N +ATOM 1305 CA ALA A 164 29.692 16.415 18.646 1.00 26.89 C +ATOM 1306 C ALA A 164 30.241 16.946 19.940 1.00 26.89 C +ATOM 1307 O ALA A 164 31.168 16.350 20.496 1.00 26.89 O +ATOM 1308 CB ALA A 164 30.339 17.122 17.478 1.00 26.89 C +ATOM 1309 N LEU A 165 29.694 18.064 20.412 1.00 0.53 N +ATOM 1310 CA LEU A 165 30.136 18.676 21.668 1.00 0.53 C +ATOM 1311 C LEU A 165 29.749 17.765 22.823 1.00 0.53 C +ATOM 1312 O LEU A 165 30.493 17.645 23.806 1.00 0.53 O +ATOM 1313 CB LEU A 165 29.475 20.054 21.867 1.00 0.53 C +ATOM 1314 CG LEU A 165 30.150 21.363 21.437 1.00 0.53 C +ATOM 1315 CD1 LEU A 165 31.448 21.542 22.180 1.00 0.53 C +ATOM 1316 CD2 LEU A 165 30.410 21.358 19.975 1.00 0.53 C +ATOM 1317 N ALA A 166 28.587 17.131 22.696 1.00 8.31 N +ATOM 1318 CA ALA A 166 28.072 16.231 23.716 1.00 8.31 C +ATOM 1319 C ALA A 166 29.048 15.103 23.951 1.00 8.31 C +ATOM 1320 O ALA A 166 29.078 14.491 25.009 1.00 8.31 O +ATOM 1321 CB ALA A 166 26.734 15.670 23.267 1.00 8.31 C +ATOM 1322 N CYS A 167 29.869 14.832 22.961 1.00 0.00 N +ATOM 1323 CA CYS A 167 30.798 13.745 23.079 1.00 0.00 C +ATOM 1324 C CYS A 167 32.197 14.249 23.365 1.00 0.00 C +ATOM 1325 O CYS A 167 32.901 13.674 24.187 1.00 0.00 O +ATOM 1326 CB CYS A 167 30.758 12.958 21.773 1.00 0.00 C +ATOM 1327 SG CYS A 167 31.891 11.577 21.692 1.00 0.00 S +ATOM 1328 N ALA A 168 32.589 15.341 22.728 1.00 0.00 N +ATOM 1329 CA ALA A 168 33.949 15.838 22.878 1.00 0.00 C +ATOM 1330 C ALA A 168 34.193 16.692 24.106 1.00 0.00 C +ATOM 1331 O ALA A 168 35.280 16.618 24.685 1.00 0.00 O +ATOM 1332 CB ALA A 168 34.348 16.603 21.612 1.00 0.00 C +ATOM 1333 N ALA A 169 33.218 17.488 24.515 1.00 0.00 N +ATOM 1334 CA ALA A 169 33.419 18.382 25.646 1.00 0.00 C +ATOM 1335 C ALA A 169 33.424 17.693 27.039 1.00 0.00 C +ATOM 1336 O ALA A 169 34.183 18.121 27.931 1.00 0.00 O +ATOM 1337 CB ALA A 169 32.379 19.490 25.591 1.00 0.00 C +ATOM 1338 N PRO A 170 32.608 16.640 27.251 1.00 0.00 N +ATOM 1339 CA PRO A 170 32.605 15.991 28.569 1.00 0.00 C +ATOM 1340 C PRO A 170 33.964 15.691 29.159 1.00 0.00 C +ATOM 1341 O PRO A 170 34.200 15.999 30.303 1.00 0.00 O +ATOM 1342 CB PRO A 170 31.797 14.721 28.336 1.00 0.00 C +ATOM 1343 CG PRO A 170 30.870 15.102 27.234 1.00 0.00 C +ATOM 1344 CD PRO A 170 31.735 15.921 26.307 1.00 0.00 C ATOM 1345 N PRO A 171 34.875 15.077 28.393 1.00 0.00 N ATOM 1346 CA PRO A 171 36.227 14.744 28.884 1.00 0.00 C ATOM 1347 C PRO A 171 37.085 15.909 29.411 1.00 0.00 C @@ -2025,21 +2025,21 @@ ATOM 1348 O PRO A 171 38.118 15.684 30.074 1.00 0.00 O ATOM 1349 CB PRO A 171 36.868 14.056 27.676 1.00 0.00 C ATOM 1350 CG PRO A 171 35.684 13.389 26.997 1.00 0.00 C ATOM 1351 CD PRO A 171 34.636 14.475 27.065 1.00 0.00 C -ATOM 1352 N LEU A 172 36.662 17.136 29.119 1.00 0.50 N -ATOM 1353 CA LEU A 172 37.382 18.342 29.549 1.00 0.50 C -ATOM 1354 C LEU A 172 36.850 18.819 30.889 1.00 0.50 C -ATOM 1355 O LEU A 172 37.453 19.715 31.512 1.00 0.50 O -ATOM 1356 CB LEU A 172 37.164 19.470 28.543 1.00 0.50 C -ATOM 1357 CG LEU A 172 37.552 19.222 27.102 1.00 0.50 C -ATOM 1358 CD1 LEU A 172 37.045 20.367 26.264 1.00 0.50 C -ATOM 1359 CD2 LEU A 172 39.041 19.077 26.993 1.00 0.50 C -ATOM 1360 N VAL A 173 35.746 18.219 31.337 1.00 0.55 N -ATOM 1361 CA VAL A 173 35.089 18.649 32.573 1.00 0.55 C -ATOM 1362 C VAL A 173 34.743 17.517 33.555 1.00 0.55 C -ATOM 1363 O VAL A 173 33.668 17.567 34.176 1.00 0.55 O -ATOM 1364 CB VAL A 173 33.807 19.434 32.211 1.00 0.55 C -ATOM 1365 CG1 VAL A 173 34.182 20.614 31.359 1.00 0.55 C -ATOM 1366 CG2 VAL A 173 32.823 18.536 31.452 1.00 0.55 C +ATOM 1352 N LEU A 172 36.662 17.136 29.119 1.00 0.00 N +ATOM 1353 CA LEU A 172 37.382 18.342 29.549 1.00 0.00 C +ATOM 1354 C LEU A 172 36.850 18.819 30.889 1.00 0.00 C +ATOM 1355 O LEU A 172 37.453 19.715 31.512 1.00 0.00 O +ATOM 1356 CB LEU A 172 37.164 19.470 28.543 1.00 0.00 C +ATOM 1357 CG LEU A 172 37.552 19.222 27.102 1.00 0.00 C +ATOM 1358 CD1 LEU A 172 37.045 20.367 26.264 1.00 0.00 C +ATOM 1359 CD2 LEU A 172 39.041 19.077 26.993 1.00 0.00 C +ATOM 1360 N VAL A 173 35.746 18.219 31.337 1.00 0.00 N +ATOM 1361 CA VAL A 173 35.089 18.649 32.573 1.00 0.00 C +ATOM 1362 C VAL A 173 34.743 17.517 33.555 1.00 0.00 C +ATOM 1363 O VAL A 173 33.668 17.567 34.176 1.00 0.00 O +ATOM 1364 CB VAL A 173 33.807 19.434 32.211 1.00 0.00 C +ATOM 1365 CG1 VAL A 173 34.182 20.614 31.359 1.00 0.00 C +ATOM 1366 CG2 VAL A 173 32.823 18.536 31.452 1.00 0.00 C ATOM 1367 N GLY A 174 35.602 16.508 33.693 1.00 0.00 N ATOM 1368 CA GLY A 174 35.317 15.464 34.661 1.00 0.00 C ATOM 1369 C GLY A 174 34.663 14.163 34.257 1.00 0.00 C @@ -2058,12 +2058,12 @@ ATOM 1381 CE3 TRP A 175 29.689 11.909 30.171 1.00 0.00 C ATOM 1382 CZ2 TRP A 175 29.037 9.235 30.862 1.00 0.00 C ATOM 1383 CZ3 TRP A 175 28.632 11.248 29.577 1.00 0.00 C ATOM 1384 CH2 TRP A 175 28.313 9.922 29.925 1.00 0.00 C -ATOM 1385 N SER A 176 35.311 11.100 32.053 1.00 0.37 N -ATOM 1386 CA SER A 176 36.347 10.465 31.255 1.00 0.37 C -ATOM 1387 C SER A 176 37.414 11.519 31.147 1.00 0.37 C -ATOM 1388 O SER A 176 37.366 12.483 31.914 1.00 0.37 O -ATOM 1389 CB SER A 176 35.859 10.079 29.863 1.00 0.37 C -ATOM 1390 OG SER A 176 36.951 9.609 29.076 1.00 0.37 O +ATOM 1385 N SER A 176 35.311 11.100 32.053 1.00 0.00 N +ATOM 1386 CA SER A 176 36.347 10.465 31.255 1.00 0.00 C +ATOM 1387 C SER A 176 37.414 11.519 31.147 1.00 0.00 C +ATOM 1388 O SER A 176 37.366 12.483 31.914 1.00 0.00 O +ATOM 1389 CB SER A 176 35.859 10.079 29.863 1.00 0.00 C +ATOM 1390 OG SER A 176 36.951 9.609 29.076 1.00 0.00 O ATOM 1391 N ARG A 177 38.350 11.384 30.216 1.00 0.00 N ATOM 1392 CA ARG A 177 39.414 12.381 30.079 1.00 0.00 C ATOM 1393 C ARG A 177 40.251 12.049 28.864 1.00 0.00 C @@ -2075,26 +2075,26 @@ ATOM 1398 NE ARG A 177 42.356 9.645 33.055 1.00 0.00 N ATOM 1399 CZ ARG A 177 43.162 9.286 34.057 1.00 0.00 C ATOM 1400 NH1 ARG A 177 43.560 10.179 34.963 1.00 0.00 N ATOM 1401 NH2 ARG A 177 43.580 8.022 34.154 1.00 0.00 N -ATOM 1402 N TYR A 178 41.059 13.002 28.393 1.00 0.38 N -ATOM 1403 CA TYR A 178 41.936 12.759 27.251 1.00 0.38 C -ATOM 1404 C TYR A 178 43.287 12.313 27.807 1.00 0.38 C -ATOM 1405 O TYR A 178 43.781 12.855 28.804 1.00 0.38 O -ATOM 1406 CB TYR A 178 42.065 14.015 26.366 1.00 0.38 C -ATOM 1407 CG TYR A 178 40.809 14.338 25.570 1.00 0.38 C -ATOM 1408 CD1 TYR A 178 40.375 13.501 24.541 1.00 0.38 C -ATOM 1409 CD2 TYR A 178 40.020 15.446 25.894 1.00 0.38 C -ATOM 1410 CE1 TYR A 178 39.187 13.751 23.859 1.00 0.38 C -ATOM 1411 CE2 TYR A 178 38.819 15.710 25.215 1.00 0.38 C -ATOM 1412 CZ TYR A 178 38.410 14.855 24.202 1.00 0.38 C -ATOM 1413 OH TYR A 178 37.214 15.094 23.557 1.00 0.38 O -ATOM 1414 N ILE A 179 43.876 11.322 27.155 1.00 0.18 N -ATOM 1415 CA ILE A 179 45.117 10.728 27.610 1.00 0.18 C -ATOM 1416 C ILE A 179 45.941 10.359 26.375 1.00 0.18 C -ATOM 1417 O ILE A 179 45.396 9.942 25.361 1.00 0.18 O -ATOM 1418 CB ILE A 179 44.756 9.481 28.483 1.00 0.18 C -ATOM 1419 CG1 ILE A 179 45.918 9.041 29.356 1.00 0.18 C -ATOM 1420 CG2 ILE A 179 44.303 8.329 27.600 1.00 0.18 C -ATOM 1421 CD1 ILE A 179 45.514 7.891 30.327 1.00 0.18 C +ATOM 1402 N TYR A 178 41.059 13.002 28.393 1.00 0.00 N +ATOM 1403 CA TYR A 178 41.936 12.759 27.251 1.00 0.00 C +ATOM 1404 C TYR A 178 43.287 12.313 27.807 1.00 0.00 C +ATOM 1405 O TYR A 178 43.781 12.855 28.804 1.00 0.00 O +ATOM 1406 CB TYR A 178 42.065 14.015 26.366 1.00 0.00 C +ATOM 1407 CG TYR A 178 40.809 14.338 25.570 1.00 0.00 C +ATOM 1408 CD1 TYR A 178 40.375 13.501 24.541 1.00 0.00 C +ATOM 1409 CD2 TYR A 178 40.020 15.446 25.894 1.00 0.00 C +ATOM 1410 CE1 TYR A 178 39.187 13.751 23.859 1.00 0.00 C +ATOM 1411 CE2 TYR A 178 38.819 15.710 25.215 1.00 0.00 C +ATOM 1412 CZ TYR A 178 38.410 14.855 24.202 1.00 0.00 C +ATOM 1413 OH TYR A 178 37.214 15.094 23.557 1.00 0.00 O +ATOM 1414 N ILE A 179 43.876 11.322 27.155 1.00 0.00 N +ATOM 1415 CA ILE A 179 45.117 10.728 27.610 1.00 0.00 C +ATOM 1416 C ILE A 179 45.941 10.359 26.375 1.00 0.00 C +ATOM 1417 O ILE A 179 45.396 9.942 25.361 1.00 0.00 O +ATOM 1418 CB ILE A 179 44.756 9.481 28.483 1.00 0.00 C +ATOM 1419 CG1 ILE A 179 45.918 9.041 29.356 1.00 0.00 C +ATOM 1420 CG2 ILE A 179 44.303 8.329 27.600 1.00 0.00 C +ATOM 1421 CD1 ILE A 179 45.514 7.891 30.327 1.00 0.00 C ATOM 1422 N PRO A 180 47.263 10.535 26.433 1.00 0.00 N ATOM 1423 CA PRO A 180 48.078 10.194 25.260 1.00 0.00 C ATOM 1424 C PRO A 180 48.011 8.711 24.827 1.00 0.00 C @@ -2102,15 +2102,15 @@ ATOM 1425 O PRO A 180 47.844 7.862 25.669 1.00 0.00 O ATOM 1426 CB PRO A 180 49.465 10.674 25.680 1.00 0.00 C ATOM 1427 CG PRO A 180 49.392 10.686 27.212 1.00 0.00 C ATOM 1428 CD PRO A 180 48.056 11.187 27.490 1.00 0.00 C -ATOM 1429 N GLU A 181 48.138 8.417 23.528 1.00 5.62 N -ATOM 1430 CA GLU A 181 48.053 7.029 23.009 1.00 5.62 C -ATOM 1431 C GLU A 181 49.204 6.657 22.044 1.00 5.62 C -ATOM 1432 O GLU A 181 49.820 7.538 21.435 1.00 5.62 O -ATOM 1433 CB GLU A 181 46.744 6.806 22.239 1.00 5.62 C -ATOM 1434 CG GLU A 181 45.458 7.265 22.882 1.00 5.62 C -ATOM 1435 CD GLU A 181 44.271 6.967 21.995 1.00 5.62 C -ATOM 1436 OE1 GLU A 181 43.873 5.794 21.903 1.00 5.62 O -ATOM 1437 OE2 GLU A 181 43.746 7.899 21.363 1.00 5.62 O +ATOM 1429 N GLU A 181 48.138 8.417 23.528 1.00 0.00 N +ATOM 1430 CA GLU A 181 48.053 7.029 23.009 1.00 0.00 C +ATOM 1431 C GLU A 181 49.204 6.657 22.044 1.00 0.00 C +ATOM 1432 O GLU A 181 49.820 7.538 21.435 1.00 0.00 O +ATOM 1433 CB GLU A 181 46.744 6.806 22.239 1.00 0.00 C +ATOM 1434 CG GLU A 181 45.458 7.265 22.882 1.00 0.00 C +ATOM 1435 CD GLU A 181 44.271 6.967 21.995 1.00 0.00 C +ATOM 1436 OE1 GLU A 181 43.873 5.794 21.903 1.00 0.00 O +ATOM 1437 OE2 GLU A 181 43.746 7.899 21.363 1.00 0.00 O ATOM 1438 N GLY A 182 49.441 5.350 21.874 1.00 0.00 N ATOM 1439 CA GLY A 182 50.482 4.889 20.977 1.00 0.00 C ATOM 1440 C GLY A 182 51.850 5.364 21.407 1.00 0.00 C @@ -2123,45 +2123,45 @@ ATOM 1446 CB MET A 183 54.665 6.961 19.625 1.00 0.00 C ATOM 1447 CG MET A 183 55.354 5.747 19.014 1.00 0.00 C ATOM 1448 SD MET A 183 55.964 6.014 17.365 1.00 0.00 S ATOM 1449 CE MET A 183 54.817 5.069 16.464 1.00 0.00 C -ATOM 1450 N GLN A 184 52.531 8.064 22.252 1.00 10.75 N -ATOM 1451 CA GLN A 184 52.197 9.141 23.179 1.00 10.75 C -ATOM 1452 C GLN A 184 52.287 10.527 22.557 1.00 10.75 C -ATOM 1453 O GLN A 184 52.568 11.477 23.273 1.00 10.75 O -ATOM 1454 CB GLN A 184 53.107 9.042 24.407 1.00 10.75 C -ATOM 1455 CG GLN A 184 53.196 7.626 25.021 1.00 10.75 C -ATOM 1456 CD GLN A 184 51.930 7.198 25.732 1.00 10.75 C -ATOM 1457 OE1 GLN A 184 51.589 7.724 26.789 1.00 10.75 O -ATOM 1458 NE2 GLN A 184 51.226 6.239 25.151 1.00 10.75 N -ATOM 1459 N CYS A 185 52.028 10.654 21.256 1.00 0.02 N -ATOM 1460 CA CYS A 185 52.097 11.948 20.595 1.00 0.02 C -ATOM 1461 C CYS A 185 50.740 12.400 20.162 1.00 0.02 C -ATOM 1462 O CYS A 185 50.600 13.481 19.574 1.00 0.02 O -ATOM 1463 CB CYS A 185 53.061 11.874 19.429 1.00 0.02 C -ATOM 1464 SG CYS A 185 54.756 11.764 20.042 1.00 0.02 S -ATOM 1465 N SER A 186 49.739 11.569 20.459 1.00 0.61 N -ATOM 1466 CA SER A 186 48.334 11.856 20.169 1.00 0.61 C -ATOM 1467 C SER A 186 47.545 11.636 21.453 1.00 0.61 C -ATOM 1468 O SER A 186 48.055 11.015 22.393 1.00 0.61 O -ATOM 1469 CB SER A 186 47.786 10.961 19.033 1.00 0.61 C -ATOM 1470 OG SER A 186 47.746 9.581 19.361 1.00 0.61 O +ATOM 1450 N GLN A 184 52.531 8.064 22.252 1.00 0.00 N +ATOM 1451 CA GLN A 184 52.197 9.141 23.179 1.00 0.00 C +ATOM 1452 C GLN A 184 52.287 10.527 22.557 1.00 0.00 C +ATOM 1453 O GLN A 184 52.568 11.477 23.273 1.00 0.00 O +ATOM 1454 CB GLN A 184 53.107 9.042 24.407 1.00 0.00 C +ATOM 1455 CG GLN A 184 53.196 7.626 25.021 1.00 0.00 C +ATOM 1456 CD GLN A 184 51.930 7.198 25.732 1.00 0.00 C +ATOM 1457 OE1 GLN A 184 51.589 7.724 26.789 1.00 0.00 O +ATOM 1458 NE2 GLN A 184 51.226 6.239 25.151 1.00 0.00 N +ATOM 1459 N CYS A 185 52.028 10.654 21.256 1.00 0.00 N +ATOM 1460 CA CYS A 185 52.097 11.948 20.595 1.00 0.00 C +ATOM 1461 C CYS A 185 50.740 12.400 20.162 1.00 0.00 C +ATOM 1462 O CYS A 185 50.600 13.481 19.574 1.00 0.00 O +ATOM 1463 CB CYS A 185 53.061 11.874 19.429 1.00 0.00 C +ATOM 1464 SG CYS A 185 54.756 11.764 20.042 1.00 0.00 S +ATOM 1465 N SER A 186 49.739 11.569 20.459 1.00 0.00 N +ATOM 1466 CA SER A 186 48.334 11.856 20.169 1.00 0.00 C +ATOM 1467 C SER A 186 47.545 11.636 21.453 1.00 0.00 C +ATOM 1468 O SER A 186 48.055 11.015 22.393 1.00 0.00 O +ATOM 1469 CB SER A 186 47.786 10.961 19.033 1.00 0.00 C +ATOM 1470 OG SER A 186 47.746 9.581 19.361 1.00 0.00 O ATOM 1471 N CYS A 187 46.323 12.153 21.511 1.00 0.00 N ATOM 1472 CA CYS A 187 45.500 11.992 22.704 1.00 0.00 C ATOM 1473 C CYS A 187 44.072 11.598 22.366 1.00 0.00 C ATOM 1474 O CYS A 187 43.460 12.189 21.477 1.00 0.00 O ATOM 1475 CB CYS A 187 45.531 13.284 23.537 1.00 0.00 C ATOM 1476 SG CYS A 187 46.922 13.230 24.703 1.00 0.00 S -ATOM 1477 N GLY A 188 43.555 10.598 23.075 1.00 0.88 N -ATOM 1478 CA GLY A 188 42.189 10.145 22.862 1.00 0.88 C -ATOM 1479 C GLY A 188 41.430 9.980 24.172 1.00 0.88 C -ATOM 1480 O GLY A 188 41.866 10.475 25.207 1.00 0.88 O -ATOM 1481 N ILE A 189 40.278 9.305 24.135 1.00 0.96 N -ATOM 1482 CA ILE A 189 39.457 9.085 25.338 1.00 0.96 C -ATOM 1483 C ILE A 189 40.150 8.038 26.214 1.00 0.96 C -ATOM 1484 O ILE A 189 41.098 7.422 25.742 1.00 0.96 O -ATOM 1485 CB ILE A 189 38.010 8.626 24.941 1.00 0.96 C -ATOM 1486 CG1 ILE A 189 37.301 9.745 24.155 1.00 0.96 C -ATOM 1487 CG2 ILE A 189 37.210 8.244 26.174 1.00 0.96 C -ATOM 1488 CD1 ILE A 189 37.221 11.092 24.870 1.00 0.96 C +ATOM 1477 N GLY A 188 43.555 10.598 23.075 1.00 0.00 N +ATOM 1478 CA GLY A 188 42.189 10.145 22.862 1.00 0.00 C +ATOM 1479 C GLY A 188 41.430 9.980 24.172 1.00 0.00 C +ATOM 1480 O GLY A 188 41.866 10.475 25.207 1.00 0.00 O +ATOM 1481 N ILE A 189 40.278 9.305 24.135 1.00 0.00 N +ATOM 1482 CA ILE A 189 39.457 9.085 25.338 1.00 0.00 C +ATOM 1483 C ILE A 189 40.150 8.038 26.214 1.00 0.00 C +ATOM 1484 O ILE A 189 41.098 7.422 25.742 1.00 0.00 O +ATOM 1485 CB ILE A 189 38.010 8.626 24.941 1.00 0.00 C +ATOM 1486 CG1 ILE A 189 37.301 9.745 24.155 1.00 0.00 C +ATOM 1487 CG2 ILE A 189 37.210 8.244 26.174 1.00 0.00 C +ATOM 1488 CD1 ILE A 189 37.221 11.092 24.870 1.00 0.00 C ATOM 1489 N ASP A 190 39.713 7.813 27.454 1.00 0.00 N ATOM 1490 CA ASP A 190 40.406 6.828 28.296 1.00 0.00 C ATOM 1491 C ASP A 190 39.777 5.414 28.272 1.00 0.00 C @@ -2170,18 +2170,18 @@ ATOM 1493 CB ASP A 190 40.478 7.325 29.736 1.00 0.00 C ATOM 1494 CG ASP A 190 41.617 6.687 30.506 1.00 0.00 C ATOM 1495 OD1 ASP A 190 42.024 5.567 30.122 1.00 0.00 O ATOM 1496 OD2 ASP A 190 42.098 7.293 31.492 1.00 0.00 O -ATOM 1497 N TYR A 191 40.381 4.502 27.494 1.00 0.03 N -ATOM 1498 CA TYR A 191 39.927 3.104 27.357 1.00 0.03 C -ATOM 1499 C TYR A 191 40.880 2.226 28.105 1.00 0.03 C -ATOM 1500 O TYR A 191 40.668 1.017 28.187 1.00 0.03 O -ATOM 1501 CB TYR A 191 39.995 2.617 25.901 1.00 0.03 C -ATOM 1502 CG TYR A 191 39.814 3.675 24.829 1.00 0.03 C -ATOM 1503 CD1 TYR A 191 38.550 4.220 24.560 1.00 0.03 C -ATOM 1504 CD2 TYR A 191 40.907 4.144 24.094 1.00 0.03 C -ATOM 1505 CE1 TYR A 191 38.378 5.206 23.590 1.00 0.03 C -ATOM 1506 CE2 TYR A 191 40.746 5.132 23.123 1.00 0.03 C -ATOM 1507 CZ TYR A 191 39.478 5.664 22.875 1.00 0.03 C -ATOM 1508 OH TYR A 191 39.306 6.668 21.938 1.00 0.03 O +ATOM 1497 N TYR A 191 40.381 4.502 27.494 1.00 0.00 N +ATOM 1498 CA TYR A 191 39.927 3.104 27.357 1.00 0.00 C +ATOM 1499 C TYR A 191 40.880 2.226 28.105 1.00 0.00 C +ATOM 1500 O TYR A 191 40.668 1.017 28.187 1.00 0.00 O +ATOM 1501 CB TYR A 191 39.995 2.617 25.901 1.00 0.00 C +ATOM 1502 CG TYR A 191 39.814 3.675 24.829 1.00 0.00 C +ATOM 1503 CD1 TYR A 191 38.550 4.220 24.560 1.00 0.00 C +ATOM 1504 CD2 TYR A 191 40.907 4.144 24.094 1.00 0.00 C +ATOM 1505 CE1 TYR A 191 38.378 5.206 23.590 1.00 0.00 C +ATOM 1506 CE2 TYR A 191 40.746 5.132 23.123 1.00 0.00 C +ATOM 1507 CZ TYR A 191 39.478 5.664 22.875 1.00 0.00 C +ATOM 1508 OH TYR A 191 39.306 6.668 21.938 1.00 0.00 O ATOM 1509 N TYR A 192 41.926 2.845 28.642 1.00 0.00 N ATOM 1510 CA TYR A 192 43.004 2.137 29.321 1.00 0.00 C ATOM 1511 C TYR A 192 42.786 1.853 30.794 1.00 0.00 C @@ -2201,23 +2201,23 @@ ATOM 1524 O THR A 193 39.944 3.474 32.757 1.00 0.00 O ATOM 1525 CB THR A 193 43.035 3.683 33.807 1.00 0.00 C ATOM 1526 OG1 THR A 193 42.482 5.000 33.656 1.00 0.00 O ATOM 1527 CG2 THR A 193 44.460 3.696 33.256 1.00 0.00 C -ATOM 1528 N PRO A 194 40.324 2.158 34.546 1.00 0.19 N -ATOM 1529 CA PRO A 194 38.913 2.344 34.891 1.00 0.19 C -ATOM 1530 C PRO A 194 38.674 3.672 35.645 1.00 0.19 C -ATOM 1531 O PRO A 194 37.515 4.037 35.851 1.00 0.19 O -ATOM 1532 CB PRO A 194 38.588 1.098 35.732 1.00 0.19 C -ATOM 1533 CG PRO A 194 39.611 0.088 35.293 1.00 0.19 C -ATOM 1534 CD PRO A 194 40.857 0.947 35.188 1.00 0.19 C -ATOM 1535 N HIS A 195 39.757 4.372 36.021 1.00 0.00 N -ATOM 1536 CA HIS A 195 39.734 5.670 36.756 1.00 0.00 C -ATOM 1537 C HIS A 195 38.309 6.085 37.150 1.00 0.00 C -ATOM 1538 O HIS A 195 37.689 6.919 36.467 1.00 0.00 O -ATOM 1539 CB HIS A 195 40.390 6.798 35.912 1.00 0.00 C -ATOM 1540 CG HIS A 195 40.839 8.004 36.702 1.00 0.00 C -ATOM 1541 ND1 HIS A 195 40.555 9.297 36.311 1.00 0.00 N -ATOM 1542 CD2 HIS A 195 41.623 8.115 37.801 1.00 0.00 C -ATOM 1543 CE1 HIS A 195 41.146 10.149 37.131 1.00 0.00 C -ATOM 1544 NE2 HIS A 195 41.802 9.457 38.044 1.00 0.00 N +ATOM 1528 N PRO A 194 40.324 2.158 34.546 1.00 0.00 N +ATOM 1529 CA PRO A 194 38.913 2.344 34.891 1.00 0.00 C +ATOM 1530 C PRO A 194 38.674 3.672 35.645 1.00 0.00 C +ATOM 1531 O PRO A 194 37.515 4.037 35.851 1.00 0.00 O +ATOM 1532 CB PRO A 194 38.588 1.098 35.732 1.00 0.00 C +ATOM 1533 CG PRO A 194 39.611 0.088 35.293 1.00 0.00 C +ATOM 1534 CD PRO A 194 40.857 0.947 35.188 1.00 0.00 C +ATOM 1535 N HIS A 195 39.757 4.372 36.021 1.00 0.93 N +ATOM 1536 CA HIS A 195 39.734 5.670 36.756 1.00 0.93 C +ATOM 1537 C HIS A 195 38.309 6.085 37.150 1.00 0.93 C +ATOM 1538 O HIS A 195 37.689 6.919 36.467 1.00 0.93 O +ATOM 1539 CB HIS A 195 40.390 6.798 35.912 1.00 0.93 C +ATOM 1540 CG HIS A 195 40.839 8.004 36.702 1.00 0.93 C +ATOM 1541 ND1 HIS A 195 40.555 9.297 36.311 1.00 0.93 N +ATOM 1542 CD2 HIS A 195 41.623 8.115 37.801 1.00 0.93 C +ATOM 1543 CE1 HIS A 195 41.146 10.149 37.131 1.00 0.93 C +ATOM 1544 NE2 HIS A 195 41.802 9.457 38.044 1.00 0.93 N ATOM 1545 N GLU A 196 37.812 5.511 38.246 1.00 0.00 N ATOM 1546 CA GLU A 196 36.479 5.793 38.761 1.00 0.00 C ATOM 1547 C GLU A 196 36.321 7.271 39.080 1.00 0.00 C @@ -2227,38 +2227,38 @@ ATOM 1550 CG GLU A 196 36.216 3.464 39.810 1.00 0.00 C ATOM 1551 CD GLU A 196 36.165 2.672 41.118 1.00 0.00 C ATOM 1552 OE1 GLU A 196 35.492 3.119 42.088 1.00 0.00 O ATOM 1553 OE2 GLU A 196 36.794 1.587 41.169 1.00 0.00 O -ATOM 1554 N GLU A 197 37.381 7.892 39.597 1.00 0.09 N -ATOM 1555 CA GLU A 197 37.417 9.309 39.999 1.00 0.09 C -ATOM 1556 C GLU A 197 36.842 10.245 38.938 1.00 0.09 C -ATOM 1557 O GLU A 197 36.362 11.314 39.261 1.00 0.09 O -ATOM 1558 CB GLU A 197 38.874 9.698 40.289 1.00 0.09 C -ATOM 1559 CG GLU A 197 39.094 11.064 40.943 1.00 0.09 C -ATOM 1560 CD GLU A 197 40.575 11.525 40.882 1.00 0.09 C -ATOM 1561 OE1 GLU A 197 41.498 10.688 41.086 1.00 0.09 O -ATOM 1562 OE2 GLU A 197 40.815 12.735 40.636 1.00 0.09 O -ATOM 1563 N THR A 198 36.884 9.833 37.682 1.00 0.67 N -ATOM 1564 CA THR A 198 36.420 10.661 36.590 1.00 0.67 C -ATOM 1565 C THR A 198 35.379 9.904 35.749 1.00 0.67 C -ATOM 1566 O THR A 198 34.978 10.381 34.698 1.00 0.67 O -ATOM 1567 CB THR A 198 37.661 11.113 35.759 1.00 0.67 C -ATOM 1568 OG1 THR A 198 37.384 12.351 35.102 1.00 0.67 O -ATOM 1569 CG2 THR A 198 38.051 10.060 34.745 1.00 0.67 C -ATOM 1570 N ASN A 199 34.960 8.730 36.228 1.00 0.05 N -ATOM 1571 CA ASN A 199 33.922 7.881 35.607 1.00 0.05 C -ATOM 1572 C ASN A 199 34.178 7.517 34.175 1.00 0.05 C -ATOM 1573 O ASN A 199 33.310 7.763 33.342 1.00 0.05 O -ATOM 1574 CB ASN A 199 32.576 8.576 35.684 1.00 0.05 C -ATOM 1575 CG ASN A 199 32.150 8.825 37.098 1.00 0.05 C -ATOM 1576 OD1 ASN A 199 32.522 9.827 37.728 1.00 0.05 O -ATOM 1577 ND2 ASN A 199 31.382 7.898 37.628 1.00 0.05 N -ATOM 1578 N ASN A 200 35.312 6.872 33.904 1.00 0.17 N -ATOM 1579 CA ASN A 200 35.735 6.499 32.548 1.00 0.17 C -ATOM 1580 C ASN A 200 34.948 5.383 31.908 1.00 0.17 C -ATOM 1581 O ASN A 200 34.502 5.540 30.786 1.00 0.17 O -ATOM 1582 CB ASN A 200 37.214 6.098 32.545 1.00 0.17 C -ATOM 1583 CG ASN A 200 38.139 7.276 32.710 1.00 0.17 C -ATOM 1584 OD1 ASN A 200 37.707 8.406 32.911 1.00 0.17 O -ATOM 1585 ND2 ASN A 200 39.432 7.011 32.628 1.00 0.17 N +ATOM 1554 N GLU A 197 37.381 7.892 39.597 1.00 0.00 N +ATOM 1555 CA GLU A 197 37.417 9.309 39.999 1.00 0.00 C +ATOM 1556 C GLU A 197 36.842 10.245 38.938 1.00 0.00 C +ATOM 1557 O GLU A 197 36.362 11.314 39.261 1.00 0.00 O +ATOM 1558 CB GLU A 197 38.874 9.698 40.289 1.00 0.00 C +ATOM 1559 CG GLU A 197 39.094 11.064 40.943 1.00 0.00 C +ATOM 1560 CD GLU A 197 40.575 11.525 40.882 1.00 0.00 C +ATOM 1561 OE1 GLU A 197 41.498 10.688 41.086 1.00 0.00 O +ATOM 1562 OE2 GLU A 197 40.815 12.735 40.636 1.00 0.00 O +ATOM 1563 N THR A 198 36.884 9.833 37.682 1.00 0.00 N +ATOM 1564 CA THR A 198 36.420 10.661 36.590 1.00 0.00 C +ATOM 1565 C THR A 198 35.379 9.904 35.749 1.00 0.00 C +ATOM 1566 O THR A 198 34.978 10.381 34.698 1.00 0.00 O +ATOM 1567 CB THR A 198 37.661 11.113 35.759 1.00 0.00 C +ATOM 1568 OG1 THR A 198 37.384 12.351 35.102 1.00 0.00 O +ATOM 1569 CG2 THR A 198 38.051 10.060 34.745 1.00 0.00 C +ATOM 1570 N ASN A 199 34.960 8.730 36.228 1.00 0.00 N +ATOM 1571 CA ASN A 199 33.922 7.881 35.607 1.00 0.00 C +ATOM 1572 C ASN A 199 34.178 7.517 34.175 1.00 0.00 C +ATOM 1573 O ASN A 199 33.310 7.763 33.342 1.00 0.00 O +ATOM 1574 CB ASN A 199 32.576 8.576 35.684 1.00 0.00 C +ATOM 1575 CG ASN A 199 32.150 8.825 37.098 1.00 0.00 C +ATOM 1576 OD1 ASN A 199 32.522 9.827 37.728 1.00 0.00 O +ATOM 1577 ND2 ASN A 199 31.382 7.898 37.628 1.00 0.00 N +ATOM 1578 N ASN A 200 35.312 6.872 33.904 1.00 0.00 N +ATOM 1579 CA ASN A 200 35.735 6.499 32.548 1.00 0.00 C +ATOM 1580 C ASN A 200 34.948 5.383 31.908 1.00 0.00 C +ATOM 1581 O ASN A 200 34.502 5.540 30.786 1.00 0.00 O +ATOM 1582 CB ASN A 200 37.214 6.098 32.545 1.00 0.00 C +ATOM 1583 CG ASN A 200 38.139 7.276 32.710 1.00 0.00 C +ATOM 1584 OD1 ASN A 200 37.707 8.406 32.911 1.00 0.00 O +ATOM 1585 ND2 ASN A 200 39.432 7.011 32.628 1.00 0.00 N ATOM 1586 N GLU A 201 34.793 4.254 32.579 1.00 0.00 N ATOM 1587 CA GLU A 201 34.104 3.142 31.940 1.00 0.00 C ATOM 1588 C GLU A 201 32.696 3.514 31.392 1.00 0.00 C @@ -2268,23 +2268,23 @@ ATOM 1591 CG GLU A 201 35.426 1.505 33.407 1.00 0.00 C ATOM 1592 CD GLU A 201 35.955 0.240 32.737 1.00 0.00 C ATOM 1593 OE1 GLU A 201 35.150 -0.665 32.426 1.00 0.00 O ATOM 1594 OE2 GLU A 201 37.189 0.141 32.553 1.00 0.00 O -ATOM 1595 N SER A 202 31.932 4.336 32.107 1.00 0.02 N -ATOM 1596 CA SER A 202 30.587 4.706 31.651 1.00 0.02 C -ATOM 1597 C SER A 202 30.618 5.603 30.425 1.00 0.02 C -ATOM 1598 O SER A 202 29.815 5.408 29.523 1.00 0.02 O -ATOM 1599 CB SER A 202 29.827 5.401 32.772 1.00 0.02 C -ATOM 1600 OG SER A 202 30.610 6.442 33.320 1.00 0.02 O -ATOM 1601 N PHE A 203 31.516 6.581 30.390 1.00 1.00 N -ATOM 1602 CA PHE A 203 31.605 7.472 29.244 1.00 1.00 C -ATOM 1603 C PHE A 203 31.922 6.688 27.984 1.00 1.00 C -ATOM 1604 O PHE A 203 31.333 6.952 26.947 1.00 1.00 O -ATOM 1605 CB PHE A 203 32.691 8.525 29.459 1.00 1.00 C -ATOM 1606 CG PHE A 203 32.809 9.496 28.322 1.00 1.00 C -ATOM 1607 CD1 PHE A 203 32.065 10.670 28.314 1.00 1.00 C -ATOM 1608 CD2 PHE A 203 33.616 9.207 27.230 1.00 1.00 C -ATOM 1609 CE1 PHE A 203 32.117 11.545 27.234 1.00 1.00 C -ATOM 1610 CE2 PHE A 203 33.676 10.073 26.148 1.00 1.00 C -ATOM 1611 CZ PHE A 203 32.924 11.246 26.149 1.00 1.00 C +ATOM 1595 N SER A 202 31.932 4.336 32.107 1.00 0.00 N +ATOM 1596 CA SER A 202 30.587 4.706 31.651 1.00 0.00 C +ATOM 1597 C SER A 202 30.618 5.603 30.425 1.00 0.00 C +ATOM 1598 O SER A 202 29.815 5.408 29.523 1.00 0.00 O +ATOM 1599 CB SER A 202 29.827 5.401 32.772 1.00 0.00 C +ATOM 1600 OG SER A 202 30.610 6.442 33.320 1.00 0.00 O +ATOM 1601 N PHE A 203 31.516 6.581 30.390 1.00 0.00 N +ATOM 1602 CA PHE A 203 31.605 7.472 29.244 1.00 0.00 C +ATOM 1603 C PHE A 203 31.922 6.688 27.984 1.00 0.00 C +ATOM 1604 O PHE A 203 31.333 6.952 26.947 1.00 0.00 O +ATOM 1605 CB PHE A 203 32.691 8.525 29.459 1.00 0.00 C +ATOM 1606 CG PHE A 203 32.809 9.496 28.322 1.00 0.00 C +ATOM 1607 CD1 PHE A 203 32.065 10.670 28.314 1.00 0.00 C +ATOM 1608 CD2 PHE A 203 33.616 9.207 27.230 1.00 0.00 C +ATOM 1609 CE1 PHE A 203 32.117 11.545 27.234 1.00 0.00 C +ATOM 1610 CE2 PHE A 203 33.676 10.073 26.148 1.00 0.00 C +ATOM 1611 CZ PHE A 203 32.924 11.246 26.149 1.00 0.00 C ATOM 1612 N VAL A 204 32.848 5.732 28.071 1.00 0.00 N ATOM 1613 CA VAL A 204 33.254 4.917 26.914 1.00 0.00 C ATOM 1614 C VAL A 204 32.061 4.168 26.311 1.00 0.00 C @@ -2292,96 +2292,96 @@ ATOM 1615 O VAL A 204 31.962 4.031 25.093 1.00 0.00 O ATOM 1616 CB VAL A 204 34.389 3.900 27.301 1.00 0.00 C ATOM 1617 CG1 VAL A 204 34.646 2.931 26.162 1.00 0.00 C ATOM 1618 CG2 VAL A 204 35.685 4.648 27.632 1.00 0.00 C -ATOM 1619 N ILE A 205 31.156 3.683 27.146 1.00 2.51 N -ATOM 1620 CA ILE A 205 29.992 2.978 26.634 1.00 2.51 C -ATOM 1621 C ILE A 205 29.020 4.003 26.098 1.00 2.51 C -ATOM 1622 O ILE A 205 28.325 3.739 25.116 1.00 2.51 O -ATOM 1623 CB ILE A 205 29.350 2.132 27.751 1.00 2.51 C -ATOM 1624 CG1 ILE A 205 30.329 1.029 28.156 1.00 2.51 C -ATOM 1625 CG2 ILE A 205 28.041 1.533 27.279 1.00 2.51 C -ATOM 1626 CD1 ILE A 205 30.070 0.434 29.498 1.00 2.51 C -ATOM 1627 N TYR A 206 29.002 5.178 26.728 1.00 0.05 N -ATOM 1628 CA TYR A 206 28.121 6.259 26.308 1.00 0.05 C -ATOM 1629 C TYR A 206 28.539 6.743 24.926 1.00 0.05 C -ATOM 1630 O TYR A 206 27.691 7.131 24.123 1.00 0.05 O -ATOM 1631 CB TYR A 206 28.197 7.423 27.305 1.00 0.05 C -ATOM 1632 CG TYR A 206 27.952 8.798 26.694 1.00 0.05 C -ATOM 1633 CD1 TYR A 206 26.670 9.201 26.287 1.00 0.05 C -ATOM 1634 CD2 TYR A 206 29.009 9.702 26.529 1.00 0.05 C -ATOM 1635 CE1 TYR A 206 26.455 10.465 25.742 1.00 0.05 C -ATOM 1636 CE2 TYR A 206 28.806 10.963 25.985 1.00 0.05 C -ATOM 1637 CZ TYR A 206 27.531 11.333 25.598 1.00 0.05 C -ATOM 1638 OH TYR A 206 27.342 12.582 25.071 1.00 0.05 O -ATOM 1639 N MET A 207 29.834 6.706 24.642 1.00 7.89 N -ATOM 1640 CA MET A 207 30.335 7.171 23.358 1.00 7.89 C -ATOM 1641 C MET A 207 30.164 6.136 22.239 1.00 7.89 C -ATOM 1642 O MET A 207 29.827 6.500 21.107 1.00 7.89 O -ATOM 1643 CB MET A 207 31.802 7.544 23.502 1.00 7.89 C -ATOM 1644 CG MET A 207 32.461 7.907 22.190 1.00 7.89 C -ATOM 1645 SD MET A 207 34.246 8.086 22.339 1.00 7.89 S -ATOM 1646 CE MET A 207 34.757 6.330 22.437 1.00 7.89 C -ATOM 1647 N PHE A 208 30.401 4.866 22.540 1.00 28.52 N -ATOM 1648 CA PHE A 208 30.286 3.817 21.540 1.00 28.52 C -ATOM 1649 C PHE A 208 28.861 3.534 21.193 1.00 28.52 C -ATOM 1650 O PHE A 208 28.625 2.954 20.158 1.00 28.52 O -ATOM 1651 CB PHE A 208 30.932 2.539 22.038 1.00 28.52 C -ATOM 1652 CG PHE A 208 32.398 2.446 21.752 1.00 28.52 C -ATOM 1653 CD1 PHE A 208 32.857 2.349 20.446 1.00 28.52 C -ATOM 1654 CD2 PHE A 208 33.329 2.430 22.789 1.00 28.52 C -ATOM 1655 CE1 PHE A 208 34.221 2.237 20.174 1.00 28.52 C -ATOM 1656 CE2 PHE A 208 34.696 2.317 22.526 1.00 28.52 C -ATOM 1657 CZ PHE A 208 35.141 2.221 21.218 1.00 28.52 C -ATOM 1658 N VAL A 209 27.908 3.920 22.039 1.00 0.16 N -ATOM 1659 CA VAL A 209 26.496 3.653 21.733 1.00 0.16 C -ATOM 1660 C VAL A 209 25.829 4.883 21.156 1.00 0.16 C -ATOM 1661 O VAL A 209 25.279 4.812 20.052 1.00 0.16 O -ATOM 1662 CB VAL A 209 25.684 3.184 22.990 1.00 0.16 C -ATOM 1663 CG1 VAL A 209 24.236 2.891 22.584 1.00 0.16 C -ATOM 1664 CG2 VAL A 209 26.323 1.917 23.615 1.00 0.16 C -ATOM 1665 N VAL A 210 25.881 5.997 21.880 1.00 0.22 N -ATOM 1666 CA VAL A 210 25.269 7.244 21.430 1.00 0.22 C -ATOM 1667 C VAL A 210 26.011 7.849 20.265 1.00 0.22 C -ATOM 1668 O VAL A 210 25.382 8.391 19.354 1.00 0.22 O -ATOM 1669 CB VAL A 210 25.247 8.311 22.546 1.00 0.22 C -ATOM 1670 CG1 VAL A 210 24.818 9.674 21.980 1.00 0.22 C -ATOM 1671 CG2 VAL A 210 24.322 7.864 23.662 1.00 0.22 C -ATOM 1672 N HIS A 211 27.333 7.767 20.277 1.00 9.74 N -ATOM 1673 CA HIS A 211 28.098 8.383 19.214 1.00 9.74 C -ATOM 1674 C HIS A 211 28.841 7.391 18.373 1.00 9.74 C -ATOM 1675 O HIS A 211 30.042 7.532 18.186 1.00 9.74 O -ATOM 1676 CB HIS A 211 29.045 9.388 19.831 1.00 9.74 C -ATOM 1677 CG HIS A 211 28.353 10.363 20.719 1.00 9.74 C -ATOM 1678 ND1 HIS A 211 27.520 11.341 20.231 1.00 9.74 N -ATOM 1679 CD2 HIS A 211 28.311 10.467 22.067 1.00 9.74 C -ATOM 1680 CE1 HIS A 211 26.990 12.009 21.239 1.00 9.74 C -ATOM 1681 NE2 HIS A 211 27.454 11.497 22.366 1.00 9.74 N -ATOM 1682 N PHE A 212 28.134 6.391 17.856 1.00 0.09 N -ATOM 1683 CA PHE A 212 28.755 5.393 16.992 1.00 0.09 C -ATOM 1684 C PHE A 212 27.747 4.343 16.527 1.00 0.09 C -ATOM 1685 O PHE A 212 27.249 4.425 15.416 1.00 0.09 O -ATOM 1686 CB PHE A 212 29.939 4.721 17.700 1.00 0.09 C -ATOM 1687 CG PHE A 212 30.666 3.724 16.843 1.00 0.09 C -ATOM 1688 CD1 PHE A 212 31.090 4.064 15.572 1.00 0.09 C -ATOM 1689 CD2 PHE A 212 30.948 2.454 17.316 1.00 0.09 C -ATOM 1690 CE1 PHE A 212 31.791 3.149 14.786 1.00 0.09 C -ATOM 1691 CE2 PHE A 212 31.646 1.533 16.537 1.00 0.09 C -ATOM 1692 CZ PHE A 212 32.069 1.881 15.273 1.00 0.09 C -ATOM 1693 N ILE A 213 27.498 3.337 17.355 1.00 2.09 N -ATOM 1694 CA ILE A 213 26.576 2.285 16.971 1.00 2.09 C -ATOM 1695 C ILE A 213 25.302 2.886 16.458 1.00 2.09 C -ATOM 1696 O ILE A 213 24.852 2.532 15.378 1.00 2.09 O -ATOM 1697 CB ILE A 213 26.225 1.369 18.149 1.00 2.09 C -ATOM 1698 CG1 ILE A 213 27.460 0.619 18.620 1.00 2.09 C -ATOM 1699 CG2 ILE A 213 25.183 0.368 17.716 1.00 2.09 C -ATOM 1700 CD1 ILE A 213 27.193 -0.213 19.838 1.00 2.09 C -ATOM 1701 N ILE A 214 24.742 3.811 17.219 1.00 0.93 N -ATOM 1702 CA ILE A 214 23.486 4.432 16.852 1.00 0.93 C -ATOM 1703 C ILE A 214 23.522 5.226 15.559 1.00 0.93 C -ATOM 1704 O ILE A 214 22.766 4.904 14.644 1.00 0.93 O -ATOM 1705 CB ILE A 214 22.982 5.295 18.004 1.00 0.93 C -ATOM 1706 CG1 ILE A 214 22.393 4.372 19.069 1.00 0.93 C -ATOM 1707 CG2 ILE A 214 21.979 6.324 17.506 1.00 0.93 C -ATOM 1708 CD1 ILE A 214 21.787 5.096 20.218 1.00 0.93 C +ATOM 1619 N ILE A 205 31.156 3.683 27.146 1.00 3.44 N +ATOM 1620 CA ILE A 205 29.992 2.978 26.634 1.00 3.44 C +ATOM 1621 C ILE A 205 29.020 4.003 26.098 1.00 3.44 C +ATOM 1622 O ILE A 205 28.325 3.739 25.116 1.00 3.44 O +ATOM 1623 CB ILE A 205 29.350 2.132 27.751 1.00 3.44 C +ATOM 1624 CG1 ILE A 205 30.329 1.029 28.156 1.00 3.44 C +ATOM 1625 CG2 ILE A 205 28.041 1.533 27.279 1.00 3.44 C +ATOM 1626 CD1 ILE A 205 30.070 0.434 29.498 1.00 3.44 C +ATOM 1627 N TYR A 206 29.002 5.178 26.728 1.00 0.00 N +ATOM 1628 CA TYR A 206 28.121 6.259 26.308 1.00 0.00 C +ATOM 1629 C TYR A 206 28.539 6.743 24.926 1.00 0.00 C +ATOM 1630 O TYR A 206 27.691 7.131 24.123 1.00 0.00 O +ATOM 1631 CB TYR A 206 28.197 7.423 27.305 1.00 0.00 C +ATOM 1632 CG TYR A 206 27.952 8.798 26.694 1.00 0.00 C +ATOM 1633 CD1 TYR A 206 26.670 9.201 26.287 1.00 0.00 C +ATOM 1634 CD2 TYR A 206 29.009 9.702 26.529 1.00 0.00 C +ATOM 1635 CE1 TYR A 206 26.455 10.465 25.742 1.00 0.00 C +ATOM 1636 CE2 TYR A 206 28.806 10.963 25.985 1.00 0.00 C +ATOM 1637 CZ TYR A 206 27.531 11.333 25.598 1.00 0.00 C +ATOM 1638 OH TYR A 206 27.342 12.582 25.071 1.00 0.00 O +ATOM 1639 N MET A 207 29.834 6.706 24.642 1.00 0.00 N +ATOM 1640 CA MET A 207 30.335 7.171 23.358 1.00 0.00 C +ATOM 1641 C MET A 207 30.164 6.136 22.239 1.00 0.00 C +ATOM 1642 O MET A 207 29.827 6.500 21.107 1.00 0.00 O +ATOM 1643 CB MET A 207 31.802 7.544 23.502 1.00 0.00 C +ATOM 1644 CG MET A 207 32.461 7.907 22.190 1.00 0.00 C +ATOM 1645 SD MET A 207 34.246 8.086 22.339 1.00 0.00 S +ATOM 1646 CE MET A 207 34.757 6.330 22.437 1.00 0.00 C +ATOM 1647 N PHE A 208 30.401 4.866 22.540 1.00 85.13 N +ATOM 1648 CA PHE A 208 30.286 3.817 21.540 1.00 85.13 C +ATOM 1649 C PHE A 208 28.861 3.534 21.193 1.00 85.13 C +ATOM 1650 O PHE A 208 28.625 2.954 20.158 1.00 85.13 O +ATOM 1651 CB PHE A 208 30.932 2.539 22.038 1.00 85.13 C +ATOM 1652 CG PHE A 208 32.398 2.446 21.752 1.00 85.13 C +ATOM 1653 CD1 PHE A 208 32.857 2.349 20.446 1.00 85.13 C +ATOM 1654 CD2 PHE A 208 33.329 2.430 22.789 1.00 85.13 C +ATOM 1655 CE1 PHE A 208 34.221 2.237 20.174 1.00 85.13 C +ATOM 1656 CE2 PHE A 208 34.696 2.317 22.526 1.00 85.13 C +ATOM 1657 CZ PHE A 208 35.141 2.221 21.218 1.00 85.13 C +ATOM 1658 N VAL A 209 27.908 3.920 22.039 1.00 0.08 N +ATOM 1659 CA VAL A 209 26.496 3.653 21.733 1.00 0.08 C +ATOM 1660 C VAL A 209 25.829 4.883 21.156 1.00 0.08 C +ATOM 1661 O VAL A 209 25.279 4.812 20.052 1.00 0.08 O +ATOM 1662 CB VAL A 209 25.684 3.184 22.990 1.00 0.08 C +ATOM 1663 CG1 VAL A 209 24.236 2.891 22.584 1.00 0.08 C +ATOM 1664 CG2 VAL A 209 26.323 1.917 23.615 1.00 0.08 C +ATOM 1665 N VAL A 210 25.881 5.997 21.880 1.00 0.00 N +ATOM 1666 CA VAL A 210 25.269 7.244 21.430 1.00 0.00 C +ATOM 1667 C VAL A 210 26.011 7.849 20.265 1.00 0.00 C +ATOM 1668 O VAL A 210 25.382 8.391 19.354 1.00 0.00 O +ATOM 1669 CB VAL A 210 25.247 8.311 22.546 1.00 0.00 C +ATOM 1670 CG1 VAL A 210 24.818 9.674 21.980 1.00 0.00 C +ATOM 1671 CG2 VAL A 210 24.322 7.864 23.662 1.00 0.00 C +ATOM 1672 N HIS A 211 27.333 7.767 20.277 1.00 0.00 N +ATOM 1673 CA HIS A 211 28.098 8.383 19.214 1.00 0.00 C +ATOM 1674 C HIS A 211 28.841 7.391 18.373 1.00 0.00 C +ATOM 1675 O HIS A 211 30.042 7.532 18.186 1.00 0.00 O +ATOM 1676 CB HIS A 211 29.045 9.388 19.831 1.00 0.00 C +ATOM 1677 CG HIS A 211 28.353 10.363 20.719 1.00 0.00 C +ATOM 1678 ND1 HIS A 211 27.520 11.341 20.231 1.00 0.00 N +ATOM 1679 CD2 HIS A 211 28.311 10.467 22.067 1.00 0.00 C +ATOM 1680 CE1 HIS A 211 26.990 12.009 21.239 1.00 0.00 C +ATOM 1681 NE2 HIS A 211 27.454 11.497 22.366 1.00 0.00 N +ATOM 1682 N PHE A 212 28.134 6.391 17.856 1.00 0.00 N +ATOM 1683 CA PHE A 212 28.755 5.393 16.992 1.00 0.00 C +ATOM 1684 C PHE A 212 27.747 4.343 16.527 1.00 0.00 C +ATOM 1685 O PHE A 212 27.249 4.425 15.416 1.00 0.00 O +ATOM 1686 CB PHE A 212 29.939 4.721 17.700 1.00 0.00 C +ATOM 1687 CG PHE A 212 30.666 3.724 16.843 1.00 0.00 C +ATOM 1688 CD1 PHE A 212 31.090 4.064 15.572 1.00 0.00 C +ATOM 1689 CD2 PHE A 212 30.948 2.454 17.316 1.00 0.00 C +ATOM 1690 CE1 PHE A 212 31.791 3.149 14.786 1.00 0.00 C +ATOM 1691 CE2 PHE A 212 31.646 1.533 16.537 1.00 0.00 C +ATOM 1692 CZ PHE A 212 32.069 1.881 15.273 1.00 0.00 C +ATOM 1693 N ILE A 213 27.498 3.337 17.355 1.00 0.00 N +ATOM 1694 CA ILE A 213 26.576 2.285 16.971 1.00 0.00 C +ATOM 1695 C ILE A 213 25.302 2.886 16.458 1.00 0.00 C +ATOM 1696 O ILE A 213 24.852 2.532 15.378 1.00 0.00 O +ATOM 1697 CB ILE A 213 26.225 1.369 18.149 1.00 0.00 C +ATOM 1698 CG1 ILE A 213 27.460 0.619 18.620 1.00 0.00 C +ATOM 1699 CG2 ILE A 213 25.183 0.368 17.716 1.00 0.00 C +ATOM 1700 CD1 ILE A 213 27.193 -0.213 19.838 1.00 0.00 C +ATOM 1701 N ILE A 214 24.742 3.811 17.219 1.00 0.00 N +ATOM 1702 CA ILE A 214 23.486 4.432 16.852 1.00 0.00 C +ATOM 1703 C ILE A 214 23.522 5.226 15.559 1.00 0.00 C +ATOM 1704 O ILE A 214 22.766 4.904 14.644 1.00 0.00 O +ATOM 1705 CB ILE A 214 22.982 5.295 18.004 1.00 0.00 C +ATOM 1706 CG1 ILE A 214 22.393 4.372 19.069 1.00 0.00 C +ATOM 1707 CG2 ILE A 214 21.979 6.324 17.506 1.00 0.00 C +ATOM 1708 CD1 ILE A 214 21.787 5.096 20.218 1.00 0.00 C ATOM 1709 N PRO A 215 24.361 6.269 15.454 1.00 0.00 N ATOM 1710 CA PRO A 215 24.366 7.013 14.188 1.00 0.00 C ATOM 1711 C PRO A 215 24.608 6.115 12.980 1.00 0.00 C @@ -2397,51 +2397,51 @@ ATOM 1720 CB LEU A 216 26.641 2.992 12.584 1.00 0.00 C ATOM 1721 CG LEU A 216 28.120 3.210 12.310 1.00 0.00 C ATOM 1722 CD1 LEU A 216 28.291 3.808 10.949 1.00 0.00 C ATOM 1723 CD2 LEU A 216 28.680 4.136 13.305 1.00 0.00 C -ATOM 1724 N ILE A 217 23.588 2.919 12.612 1.00 0.65 N -ATOM 1725 CA ILE A 217 22.334 2.239 12.332 1.00 0.65 C -ATOM 1726 C ILE A 217 21.417 3.107 11.472 1.00 0.65 C -ATOM 1727 O ILE A 217 20.907 2.632 10.453 1.00 0.65 O -ATOM 1728 CB ILE A 217 21.643 1.910 13.636 1.00 0.65 C -ATOM 1729 CG1 ILE A 217 22.513 0.945 14.431 1.00 0.65 C -ATOM 1730 CG2 ILE A 217 20.279 1.337 13.357 1.00 0.65 C -ATOM 1731 CD1 ILE A 217 22.163 0.908 15.880 1.00 0.65 C -ATOM 1732 N VAL A 218 21.202 4.352 11.902 1.00 0.03 N -ATOM 1733 CA VAL A 218 20.373 5.329 11.190 1.00 0.03 C -ATOM 1734 C VAL A 218 20.819 5.400 9.760 1.00 0.03 C -ATOM 1735 O VAL A 218 20.052 5.147 8.832 1.00 0.03 O -ATOM 1736 CB VAL A 218 20.552 6.742 11.776 1.00 0.03 C -ATOM 1737 CG1 VAL A 218 19.976 7.781 10.828 1.00 0.03 C -ATOM 1738 CG2 VAL A 218 19.912 6.820 13.136 1.00 0.03 C -ATOM 1739 N ILE A 219 22.081 5.761 9.601 1.00 0.55 N -ATOM 1740 CA ILE A 219 22.713 5.911 8.306 1.00 0.55 C -ATOM 1741 C ILE A 219 22.573 4.662 7.457 1.00 0.55 C -ATOM 1742 O ILE A 219 22.239 4.764 6.281 1.00 0.55 O -ATOM 1743 CB ILE A 219 24.188 6.249 8.495 1.00 0.55 C -ATOM 1744 CG1 ILE A 219 24.304 7.614 9.173 1.00 0.55 C -ATOM 1745 CG2 ILE A 219 24.888 6.237 7.174 1.00 0.55 C -ATOM 1746 CD1 ILE A 219 25.712 8.055 9.465 1.00 0.55 C -ATOM 1747 N PHE A 220 22.827 3.494 8.033 1.00 0.15 N -ATOM 1748 CA PHE A 220 22.726 2.251 7.288 1.00 0.15 C -ATOM 1749 C PHE A 220 21.321 1.915 6.957 1.00 0.15 C -ATOM 1750 O PHE A 220 21.013 1.600 5.807 1.00 0.15 O -ATOM 1751 CB PHE A 220 23.336 1.126 8.082 1.00 0.15 C -ATOM 1752 CG PHE A 220 24.786 1.071 7.942 1.00 0.15 C -ATOM 1753 CD1 PHE A 220 25.340 0.905 6.686 1.00 0.15 C -ATOM 1754 CD2 PHE A 220 25.609 1.262 9.029 1.00 0.15 C -ATOM 1755 CE1 PHE A 220 26.692 0.938 6.509 1.00 0.15 C -ATOM 1756 CE2 PHE A 220 26.970 1.299 8.867 1.00 0.15 C -ATOM 1757 CZ PHE A 220 27.516 1.136 7.603 1.00 0.15 C -ATOM 1758 N PHE A 221 20.459 1.945 7.958 1.00 0.05 N -ATOM 1759 CA PHE A 221 19.082 1.649 7.692 1.00 0.05 C -ATOM 1760 C PHE A 221 18.609 2.559 6.591 1.00 0.05 C -ATOM 1761 O PHE A 221 18.157 2.082 5.559 1.00 0.05 O -ATOM 1762 CB PHE A 221 18.241 1.866 8.926 1.00 0.05 C -ATOM 1763 CG PHE A 221 16.798 1.634 8.679 1.00 0.05 C -ATOM 1764 CD1 PHE A 221 15.909 2.706 8.614 1.00 0.05 C -ATOM 1765 CD2 PHE A 221 16.328 0.341 8.431 1.00 0.05 C -ATOM 1766 CE1 PHE A 221 14.565 2.499 8.301 1.00 0.05 C -ATOM 1767 CE2 PHE A 221 14.990 0.118 8.118 1.00 0.05 C -ATOM 1768 CZ PHE A 221 14.104 1.203 8.052 1.00 0.05 C +ATOM 1724 N ILE A 217 23.588 2.919 12.612 1.00 10.22 N +ATOM 1725 CA ILE A 217 22.334 2.239 12.332 1.00 10.22 C +ATOM 1726 C ILE A 217 21.417 3.107 11.472 1.00 10.22 C +ATOM 1727 O ILE A 217 20.907 2.632 10.453 1.00 10.22 O +ATOM 1728 CB ILE A 217 21.643 1.910 13.636 1.00 10.22 C +ATOM 1729 CG1 ILE A 217 22.513 0.945 14.431 1.00 10.22 C +ATOM 1730 CG2 ILE A 217 20.279 1.337 13.357 1.00 10.22 C +ATOM 1731 CD1 ILE A 217 22.163 0.908 15.880 1.00 10.22 C +ATOM 1732 N VAL A 218 21.202 4.352 11.902 1.00 0.00 N +ATOM 1733 CA VAL A 218 20.373 5.329 11.190 1.00 0.00 C +ATOM 1734 C VAL A 218 20.819 5.400 9.760 1.00 0.00 C +ATOM 1735 O VAL A 218 20.052 5.147 8.832 1.00 0.00 O +ATOM 1736 CB VAL A 218 20.552 6.742 11.776 1.00 0.00 C +ATOM 1737 CG1 VAL A 218 19.976 7.781 10.828 1.00 0.00 C +ATOM 1738 CG2 VAL A 218 19.912 6.820 13.136 1.00 0.00 C +ATOM 1739 N ILE A 219 22.081 5.761 9.601 1.00 0.00 N +ATOM 1740 CA ILE A 219 22.713 5.911 8.306 1.00 0.00 C +ATOM 1741 C ILE A 219 22.573 4.662 7.457 1.00 0.00 C +ATOM 1742 O ILE A 219 22.239 4.764 6.281 1.00 0.00 O +ATOM 1743 CB ILE A 219 24.188 6.249 8.495 1.00 0.00 C +ATOM 1744 CG1 ILE A 219 24.304 7.614 9.173 1.00 0.00 C +ATOM 1745 CG2 ILE A 219 24.888 6.237 7.174 1.00 0.00 C +ATOM 1746 CD1 ILE A 219 25.712 8.055 9.465 1.00 0.00 C +ATOM 1747 N PHE A 220 22.827 3.494 8.033 1.00 0.00 N +ATOM 1748 CA PHE A 220 22.726 2.251 7.288 1.00 0.00 C +ATOM 1749 C PHE A 220 21.321 1.915 6.957 1.00 0.00 C +ATOM 1750 O PHE A 220 21.013 1.600 5.807 1.00 0.00 O +ATOM 1751 CB PHE A 220 23.336 1.126 8.082 1.00 0.00 C +ATOM 1752 CG PHE A 220 24.786 1.071 7.942 1.00 0.00 C +ATOM 1753 CD1 PHE A 220 25.340 0.905 6.686 1.00 0.00 C +ATOM 1754 CD2 PHE A 220 25.609 1.262 9.029 1.00 0.00 C +ATOM 1755 CE1 PHE A 220 26.692 0.938 6.509 1.00 0.00 C +ATOM 1756 CE2 PHE A 220 26.970 1.299 8.867 1.00 0.00 C +ATOM 1757 CZ PHE A 220 27.516 1.136 7.603 1.00 0.00 C +ATOM 1758 N PHE A 221 20.459 1.945 7.958 1.00 0.00 N +ATOM 1759 CA PHE A 221 19.082 1.649 7.692 1.00 0.00 C +ATOM 1760 C PHE A 221 18.609 2.559 6.591 1.00 0.00 C +ATOM 1761 O PHE A 221 18.157 2.082 5.559 1.00 0.00 O +ATOM 1762 CB PHE A 221 18.241 1.866 8.926 1.00 0.00 C +ATOM 1763 CG PHE A 221 16.798 1.634 8.679 1.00 0.00 C +ATOM 1764 CD1 PHE A 221 15.909 2.706 8.614 1.00 0.00 C +ATOM 1765 CD2 PHE A 221 16.328 0.341 8.431 1.00 0.00 C +ATOM 1766 CE1 PHE A 221 14.565 2.499 8.301 1.00 0.00 C +ATOM 1767 CE2 PHE A 221 14.990 0.118 8.118 1.00 0.00 C +ATOM 1768 CZ PHE A 221 14.104 1.203 8.052 1.00 0.00 C ATOM 1769 N CYS A 222 18.733 3.864 6.797 1.00 0.00 N ATOM 1770 CA CYS A 222 18.316 4.839 5.802 1.00 0.00 C ATOM 1771 C CYS A 222 18.779 4.437 4.409 1.00 0.00 C @@ -2460,10 +2460,10 @@ ATOM 1783 CE1 TYR A 223 23.330 2.319 -0.332 1.00 0.00 C ATOM 1784 CE2 TYR A 223 23.375 0.244 0.860 1.00 0.00 C ATOM 1785 CZ TYR A 223 23.652 0.970 -0.281 1.00 0.00 C ATOM 1786 OH TYR A 223 24.284 0.358 -1.345 1.00 0.00 O -ATOM 1787 N GLY A 224 19.328 1.322 3.344 1.00 0.79 N -ATOM 1788 CA GLY A 224 18.512 0.200 2.939 1.00 0.79 C -ATOM 1789 C GLY A 224 17.194 0.687 2.378 1.00 0.79 C -ATOM 1790 O GLY A 224 16.397 -0.112 1.913 1.00 0.79 O +ATOM 1787 N GLY A 224 19.328 1.322 3.344 1.00 0.00 N +ATOM 1788 CA GLY A 224 18.512 0.200 2.939 1.00 0.00 C +ATOM 1789 C GLY A 224 17.194 0.687 2.378 1.00 0.00 C +ATOM 1790 O GLY A 224 16.397 -0.112 1.913 1.00 0.00 O ATOM 1791 N GLN A 225 16.965 2.000 2.441 1.00 0.00 N ATOM 1792 CA GLN A 225 15.742 2.622 1.918 1.00 0.00 C ATOM 1793 C GLN A 225 16.018 3.072 0.515 1.00 0.00 C @@ -2481,24 +2481,24 @@ ATOM 1804 CB LEU A 226 18.406 5.547 -0.770 1.00 0.00 C ATOM 1805 CG LEU A 226 17.656 6.856 -0.476 1.00 0.00 C ATOM 1806 CD1 LEU A 226 16.820 6.726 0.789 1.00 0.00 C ATOM 1807 CD2 LEU A 226 18.656 7.990 -0.354 1.00 0.00 C -ATOM 1808 N VAL A 227 17.633 1.999 -1.491 1.00 0.06 N -ATOM 1809 CA VAL A 227 18.137 0.800 -2.138 1.00 0.06 C -ATOM 1810 C VAL A 227 17.169 0.493 -3.276 1.00 0.06 C -ATOM 1811 O VAL A 227 17.599 0.392 -4.434 1.00 0.06 O -ATOM 1812 CB VAL A 227 18.217 -0.412 -1.138 1.00 0.06 C -ATOM 1813 CG1 VAL A 227 16.816 -0.865 -0.708 1.00 0.06 C -ATOM 1814 CG2 VAL A 227 18.975 -1.568 -1.781 1.00 0.06 C -ATOM 1815 N PHE A 228 15.874 0.384 -2.947 1.00 5.57 N -ATOM 1816 CA PHE A 228 14.825 0.113 -3.937 1.00 5.57 C -ATOM 1817 C PHE A 228 14.583 1.378 -4.744 1.00 5.57 C -ATOM 1818 O PHE A 228 14.289 1.309 -5.943 1.00 5.57 O -ATOM 1819 CB PHE A 228 13.515 -0.332 -3.257 1.00 5.57 C -ATOM 1820 CG PHE A 228 12.424 -0.726 -4.236 1.00 5.57 C -ATOM 1821 CD1 PHE A 228 12.637 -1.745 -5.169 1.00 5.57 C -ATOM 1822 CD2 PHE A 228 11.188 -0.078 -4.227 1.00 5.57 C -ATOM 1823 CE1 PHE A 228 11.636 -2.114 -6.080 1.00 5.57 C -ATOM 1824 CE2 PHE A 228 10.181 -0.438 -5.133 1.00 5.57 C -ATOM 1825 CZ PHE A 228 10.407 -1.459 -6.060 1.00 5.57 C +ATOM 1808 N VAL A 227 17.633 1.999 -1.491 1.00 0.00 N +ATOM 1809 CA VAL A 227 18.137 0.800 -2.138 1.00 0.00 C +ATOM 1810 C VAL A 227 17.169 0.493 -3.276 1.00 0.00 C +ATOM 1811 O VAL A 227 17.599 0.392 -4.434 1.00 0.00 O +ATOM 1812 CB VAL A 227 18.217 -0.412 -1.138 1.00 0.00 C +ATOM 1813 CG1 VAL A 227 16.816 -0.865 -0.708 1.00 0.00 C +ATOM 1814 CG2 VAL A 227 18.975 -1.568 -1.781 1.00 0.00 C +ATOM 1815 N PHE A 228 15.874 0.384 -2.947 1.00 3.90 N +ATOM 1816 CA PHE A 228 14.825 0.113 -3.937 1.00 3.90 C +ATOM 1817 C PHE A 228 14.583 1.378 -4.744 1.00 3.90 C +ATOM 1818 O PHE A 228 14.289 1.309 -5.943 1.00 3.90 O +ATOM 1819 CB PHE A 228 13.515 -0.332 -3.257 1.00 3.90 C +ATOM 1820 CG PHE A 228 12.424 -0.726 -4.236 1.00 3.90 C +ATOM 1821 CD1 PHE A 228 12.637 -1.745 -5.169 1.00 3.90 C +ATOM 1822 CD2 PHE A 228 11.188 -0.078 -4.227 1.00 3.90 C +ATOM 1823 CE1 PHE A 228 11.636 -2.114 -6.080 1.00 3.90 C +ATOM 1824 CE2 PHE A 228 10.181 -0.438 -5.133 1.00 3.90 C +ATOM 1825 CZ PHE A 228 10.407 -1.459 -6.060 1.00 3.90 C ATOM 1826 N THR A 229 14.704 2.528 -4.088 1.00 0.00 N ATOM 1827 CA THR A 229 14.520 3.802 -4.769 1.00 0.00 C ATOM 1828 C THR A 229 15.838 4.142 -5.498 1.00 0.00 C @@ -2513,48 +2513,48 @@ ATOM 1836 O VAL A 230 18.959 4.437 -4.723 1.00 0.00 O ATOM 1837 CB VAL A 230 17.976 7.273 -5.636 1.00 0.00 C ATOM 1838 CG1 VAL A 230 18.647 7.223 -4.275 1.00 0.00 C ATOM 1839 CG2 VAL A 230 18.891 7.919 -6.667 1.00 0.00 C -ATOM 1840 N LYS A 231 19.304 4.354 -6.954 1.00 0.05 N -ATOM 1841 CA LYS A 231 20.392 3.378 -6.865 1.00 0.05 C -ATOM 1842 C LYS A 231 21.684 3.954 -7.409 1.00 0.05 C -ATOM 1843 O LYS A 231 21.674 4.990 -8.075 1.00 0.05 O -ATOM 1844 CB LYS A 231 20.054 2.103 -7.644 1.00 0.05 C -ATOM 1845 CG LYS A 231 18.844 1.346 -7.136 1.00 0.05 C -ATOM 1846 CD LYS A 231 18.660 0.029 -7.886 1.00 0.05 C -ATOM 1847 CE LYS A 231 18.519 0.227 -9.399 1.00 0.05 C -ATOM 1848 NZ LYS A 231 19.793 0.623 -10.064 1.00 0.05 N -ATOM 1849 N GLU A 232 22.788 3.264 -7.122 1.00 0.21 N -ATOM 1850 CA GLU A 232 24.122 3.667 -7.567 1.00 0.21 C -ATOM 1851 C GLU A 232 24.144 3.698 -9.076 1.00 0.21 C -ATOM 1852 O GLU A 232 24.943 4.438 -9.672 1.00 0.21 O -ATOM 1853 CB GLU A 232 25.165 2.675 -7.051 1.00 0.21 C -ATOM 1854 CG GLU A 232 25.017 2.370 -5.578 1.00 0.21 C -ATOM 1855 CD GLU A 232 26.004 1.335 -5.103 1.00 0.21 C -ATOM 1856 OE1 GLU A 232 26.041 0.228 -5.688 1.00 0.21 O -ATOM 1857 OE2 GLU A 232 26.738 1.632 -4.141 1.00 0.21 O -ATOM 1858 N ALA A 233 23.281 2.886 -9.688 1.00 0.18 N -ATOM 1859 CA ALA A 233 23.167 2.836 -11.140 1.00 0.18 C -ATOM 1860 C ALA A 233 22.716 4.213 -11.601 1.00 0.18 C -ATOM 1861 O ALA A 233 21.512 4.505 -11.600 1.00 0.18 O -ATOM 1862 CB ALA A 233 22.146 1.762 -11.559 1.00 0.18 C +ATOM 1840 N LYS A 231 19.304 4.354 -6.954 1.00 6.77 N +ATOM 1841 CA LYS A 231 20.392 3.378 -6.865 1.00 6.77 C +ATOM 1842 C LYS A 231 21.684 3.954 -7.409 1.00 6.77 C +ATOM 1843 O LYS A 231 21.674 4.990 -8.075 1.00 6.77 O +ATOM 1844 CB LYS A 231 20.054 2.103 -7.644 1.00 6.77 C +ATOM 1845 CG LYS A 231 18.844 1.346 -7.136 1.00 6.77 C +ATOM 1846 CD LYS A 231 18.660 0.029 -7.886 1.00 6.77 C +ATOM 1847 CE LYS A 231 18.519 0.227 -9.399 1.00 6.77 C +ATOM 1848 NZ LYS A 231 19.793 0.623 -10.064 1.00 6.77 N +ATOM 1849 N GLU A 232 22.788 3.264 -7.122 1.00 0.00 N +ATOM 1850 CA GLU A 232 24.122 3.667 -7.567 1.00 0.00 C +ATOM 1851 C GLU A 232 24.144 3.698 -9.076 1.00 0.00 C +ATOM 1852 O GLU A 232 24.943 4.438 -9.672 1.00 0.00 O +ATOM 1853 CB GLU A 232 25.165 2.675 -7.051 1.00 0.00 C +ATOM 1854 CG GLU A 232 25.017 2.370 -5.578 1.00 0.00 C +ATOM 1855 CD GLU A 232 26.004 1.335 -5.103 1.00 0.00 C +ATOM 1856 OE1 GLU A 232 26.041 0.228 -5.688 1.00 0.00 O +ATOM 1857 OE2 GLU A 232 26.738 1.632 -4.141 1.00 0.00 O +ATOM 1858 N ALA A 233 23.281 2.886 -9.688 1.00 0.00 N +ATOM 1859 CA ALA A 233 23.167 2.836 -11.140 1.00 0.00 C +ATOM 1860 C ALA A 233 22.716 4.213 -11.601 1.00 0.00 C +ATOM 1861 O ALA A 233 21.512 4.505 -11.600 1.00 0.00 O +ATOM 1862 CB ALA A 233 22.146 1.762 -11.559 1.00 0.00 C ATOM 1863 N ALA A 234 23.683 5.057 -11.964 1.00 0.00 N ATOM 1864 CA ALA A 234 23.414 6.424 -12.417 1.00 0.00 C ATOM 1865 C ALA A 234 23.704 6.536 -13.907 1.00 0.00 C ATOM 1866 O ALA A 234 24.844 6.275 -14.324 1.00 0.00 O ATOM 1867 CB ALA A 234 24.283 7.416 -11.629 1.00 0.00 C -ATOM 1868 N ALA A 235 22.690 6.925 -14.691 1.00 0.41 N -ATOM 1869 CA ALA A 235 22.820 7.067 -16.150 1.00 0.41 C -ATOM 1870 C ALA A 235 23.172 8.503 -16.548 1.00 0.41 C -ATOM 1871 O ALA A 235 23.796 9.232 -15.763 1.00 0.41 O -ATOM 1872 CB ALA A 235 21.518 6.613 -16.865 1.00 0.41 C -ATOM 1873 N GLN A 236 22.746 8.899 -17.748 1.00 0.88 N -ATOM 1874 CA GLN A 236 23.044 10.219 -18.330 1.00 0.88 C -ATOM 1875 C GLN A 236 21.950 11.300 -18.100 1.00 0.88 C -ATOM 1876 O GLN A 236 21.074 11.139 -17.240 1.00 0.88 O -ATOM 1877 CB GLN A 236 23.315 10.018 -19.833 1.00 0.88 C -ATOM 1878 CG GLN A 236 22.308 9.070 -20.511 1.00 0.88 C -ATOM 1879 CD GLN A 236 22.922 8.229 -21.625 1.00 0.88 C -ATOM 1880 OE1 GLN A 236 23.418 8.760 -22.619 1.00 0.88 O -ATOM 1881 NE2 GLN A 236 22.885 6.908 -21.458 1.00 0.88 N +ATOM 1868 N ALA A 235 22.690 6.925 -14.691 1.00 0.00 N +ATOM 1869 CA ALA A 235 22.820 7.067 -16.150 1.00 0.00 C +ATOM 1870 C ALA A 235 23.172 8.503 -16.548 1.00 0.00 C +ATOM 1871 O ALA A 235 23.796 9.232 -15.763 1.00 0.00 O +ATOM 1872 CB ALA A 235 21.518 6.613 -16.865 1.00 0.00 C +ATOM 1873 N GLN A 236 22.746 8.899 -17.748 1.00 0.00 N +ATOM 1874 CA GLN A 236 23.044 10.219 -18.330 1.00 0.00 C +ATOM 1875 C GLN A 236 21.950 11.300 -18.100 1.00 0.00 C +ATOM 1876 O GLN A 236 21.074 11.139 -17.240 1.00 0.00 O +ATOM 1877 CB GLN A 236 23.315 10.018 -19.833 1.00 0.00 C +ATOM 1878 CG GLN A 236 22.308 9.070 -20.511 1.00 0.00 C +ATOM 1879 CD GLN A 236 22.922 8.229 -21.625 1.00 0.00 C +ATOM 1880 OE1 GLN A 236 23.418 8.760 -22.619 1.00 0.00 O +ATOM 1881 NE2 GLN A 236 22.885 6.908 -21.458 1.00 0.00 N ATOM 1882 N GLN A 237 22.033 12.392 -18.872 1.00 0.00 N ATOM 1883 CA GLN A 237 21.107 13.538 -18.799 1.00 0.00 C ATOM 1884 C GLN A 237 19.673 13.062 -18.704 1.00 0.00 C @@ -2564,49 +2564,49 @@ ATOM 1887 CG GLN A 237 22.711 14.624 -20.507 1.00 0.00 C ATOM 1888 CD GLN A 237 23.219 13.405 -21.278 1.00 0.00 C ATOM 1889 OE1 GLN A 237 24.423 13.152 -21.341 1.00 0.00 O ATOM 1890 NE2 GLN A 237 22.294 12.652 -21.878 1.00 0.00 N -ATOM 1891 N GLN A 238 18.996 13.499 -17.647 1.00 4.31 N -ATOM 1892 CA GLN A 238 17.625 13.095 -17.384 1.00 4.31 C -ATOM 1893 C GLN A 238 17.631 11.635 -17.008 1.00 4.31 C -ATOM 1894 O GLN A 238 18.169 10.798 -17.749 1.00 4.31 O -ATOM 1895 CB GLN A 238 16.723 13.272 -18.610 1.00 4.31 C -ATOM 1896 CG GLN A 238 15.318 12.696 -18.393 1.00 4.31 C -ATOM 1897 CD GLN A 238 14.597 12.340 -19.683 1.00 4.31 C -ATOM 1898 OE1 GLN A 238 14.406 13.185 -20.553 1.00 4.31 O -ATOM 1899 NE2 GLN A 238 14.186 11.077 -19.804 1.00 4.31 N -ATOM 1900 N GLU A 239 17.045 11.328 -15.859 1.00 0.01 N -ATOM 1901 CA GLU A 239 16.951 9.956 -15.383 1.00 0.01 C -ATOM 1902 C GLU A 239 15.468 9.658 -15.287 1.00 0.01 C -ATOM 1903 O GLU A 239 15.045 8.506 -15.148 1.00 0.01 O -ATOM 1904 CB GLU A 239 17.608 9.856 -14.014 1.00 0.01 C -ATOM 1905 CG GLU A 239 18.041 8.467 -13.621 1.00 0.01 C -ATOM 1906 CD GLU A 239 19.420 8.142 -14.141 1.00 0.01 C -ATOM 1907 OE1 GLU A 239 19.642 8.305 -15.362 1.00 0.01 O -ATOM 1908 OE2 GLU A 239 20.278 7.729 -13.329 1.00 0.01 O -ATOM 1909 N SER A 240 14.710 10.750 -15.388 1.00 0.07 N -ATOM 1910 CA SER A 240 13.243 10.859 -15.343 1.00 0.07 C -ATOM 1911 C SER A 240 13.026 12.351 -15.193 1.00 0.07 C -ATOM 1912 O SER A 240 11.962 12.834 -14.810 1.00 0.07 O -ATOM 1913 CB SER A 240 12.644 10.112 -14.133 1.00 0.07 C -ATOM 1914 OG SER A 240 12.506 8.710 -14.367 1.00 0.07 O -ATOM 1915 N ALA A 241 14.107 13.051 -15.512 1.00 0.07 N -ATOM 1916 CA ALA A 241 14.248 14.490 -15.447 1.00 0.07 C -ATOM 1917 C ALA A 241 15.715 14.702 -15.127 1.00 0.07 C -ATOM 1918 O ALA A 241 16.228 14.011 -14.246 1.00 0.07 O -ATOM 1919 CB ALA A 241 13.368 15.069 -14.327 1.00 0.07 C -ATOM 1920 N THR A 242 16.409 15.587 -15.839 1.00 0.24 N -ATOM 1921 CA THR A 242 17.814 15.827 -15.518 1.00 0.24 C -ATOM 1922 C THR A 242 17.878 16.199 -14.050 1.00 0.24 C -ATOM 1923 O THR A 242 18.935 16.136 -13.434 1.00 0.24 O -ATOM 1924 CB THR A 242 18.420 16.959 -16.383 1.00 0.24 C -ATOM 1925 OG1 THR A 242 18.558 16.498 -17.733 1.00 0.24 O -ATOM 1926 CG2 THR A 242 19.796 17.375 -15.857 1.00 0.24 C -ATOM 1927 N THR A 243 16.727 16.590 -13.510 1.00 0.01 N -ATOM 1928 CA THR A 243 16.588 16.931 -12.100 1.00 0.01 C -ATOM 1929 C THR A 243 16.856 15.666 -11.342 1.00 0.01 C -ATOM 1930 O THR A 243 17.847 15.567 -10.627 1.00 0.01 O -ATOM 1931 CB THR A 243 15.146 17.396 -11.774 1.00 0.01 C -ATOM 1932 OG1 THR A 243 14.954 18.728 -12.260 1.00 0.01 O -ATOM 1933 CG2 THR A 243 14.882 17.354 -10.272 1.00 0.01 C +ATOM 1891 N GLN A 238 18.996 13.499 -17.647 1.00 0.00 N +ATOM 1892 CA GLN A 238 17.625 13.095 -17.384 1.00 0.00 C +ATOM 1893 C GLN A 238 17.631 11.635 -17.008 1.00 0.00 C +ATOM 1894 O GLN A 238 18.169 10.798 -17.749 1.00 0.00 O +ATOM 1895 CB GLN A 238 16.723 13.272 -18.610 1.00 0.00 C +ATOM 1896 CG GLN A 238 15.318 12.696 -18.393 1.00 0.00 C +ATOM 1897 CD GLN A 238 14.597 12.340 -19.683 1.00 0.00 C +ATOM 1898 OE1 GLN A 238 14.406 13.185 -20.553 1.00 0.00 O +ATOM 1899 NE2 GLN A 238 14.186 11.077 -19.804 1.00 0.00 N +ATOM 1900 N GLU A 239 17.045 11.328 -15.859 1.00 0.00 N +ATOM 1901 CA GLU A 239 16.951 9.956 -15.383 1.00 0.00 C +ATOM 1902 C GLU A 239 15.468 9.658 -15.287 1.00 0.00 C +ATOM 1903 O GLU A 239 15.045 8.506 -15.148 1.00 0.00 O +ATOM 1904 CB GLU A 239 17.608 9.856 -14.014 1.00 0.00 C +ATOM 1905 CG GLU A 239 18.041 8.467 -13.621 1.00 0.00 C +ATOM 1906 CD GLU A 239 19.420 8.142 -14.141 1.00 0.00 C +ATOM 1907 OE1 GLU A 239 19.642 8.305 -15.362 1.00 0.00 O +ATOM 1908 OE2 GLU A 239 20.278 7.729 -13.329 1.00 0.00 O +ATOM 1909 N SER A 240 14.710 10.750 -15.388 1.00 0.00 N +ATOM 1910 CA SER A 240 13.243 10.859 -15.343 1.00 0.00 C +ATOM 1911 C SER A 240 13.026 12.351 -15.193 1.00 0.00 C +ATOM 1912 O SER A 240 11.962 12.834 -14.810 1.00 0.00 O +ATOM 1913 CB SER A 240 12.644 10.112 -14.133 1.00 0.00 C +ATOM 1914 OG SER A 240 12.506 8.710 -14.367 1.00 0.00 O +ATOM 1915 N ALA A 241 14.107 13.051 -15.512 1.00 0.00 N +ATOM 1916 CA ALA A 241 14.248 14.490 -15.447 1.00 0.00 C +ATOM 1917 C ALA A 241 15.715 14.702 -15.127 1.00 0.00 C +ATOM 1918 O ALA A 241 16.228 14.011 -14.246 1.00 0.00 O +ATOM 1919 CB ALA A 241 13.368 15.069 -14.327 1.00 0.00 C +ATOM 1920 N THR A 242 16.409 15.587 -15.839 1.00 0.00 N +ATOM 1921 CA THR A 242 17.814 15.827 -15.518 1.00 0.00 C +ATOM 1922 C THR A 242 17.878 16.199 -14.050 1.00 0.00 C +ATOM 1923 O THR A 242 18.935 16.136 -13.434 1.00 0.00 O +ATOM 1924 CB THR A 242 18.420 16.959 -16.383 1.00 0.00 C +ATOM 1925 OG1 THR A 242 18.558 16.498 -17.733 1.00 0.00 O +ATOM 1926 CG2 THR A 242 19.796 17.375 -15.857 1.00 0.00 C +ATOM 1927 N THR A 243 16.727 16.590 -13.510 1.00 0.00 N +ATOM 1928 CA THR A 243 16.588 16.931 -12.100 1.00 0.00 C +ATOM 1929 C THR A 243 16.856 15.666 -11.342 1.00 0.00 C +ATOM 1930 O THR A 243 17.847 15.567 -10.627 1.00 0.00 O +ATOM 1931 CB THR A 243 15.146 17.396 -11.774 1.00 0.00 C +ATOM 1932 OG1 THR A 243 14.954 18.728 -12.260 1.00 0.00 O +ATOM 1933 CG2 THR A 243 14.882 17.354 -10.272 1.00 0.00 C ATOM 1934 N GLN A 244 15.963 14.698 -11.521 1.00 0.00 N ATOM 1935 CA GLN A 244 16.076 13.396 -10.883 1.00 0.00 C ATOM 1936 C GLN A 244 17.473 12.833 -11.134 1.00 0.00 C @@ -2616,15 +2616,15 @@ ATOM 1939 CG GLN A 244 15.002 11.063 -10.906 1.00 0.00 C ATOM 1940 CD GLN A 244 16.045 10.177 -11.571 1.00 0.00 C ATOM 1941 OE1 GLN A 244 17.241 10.445 -11.507 1.00 0.00 O ATOM 1942 NE2 GLN A 244 15.586 9.110 -12.215 1.00 0.00 N -ATOM 1943 N LYS A 245 17.968 12.981 -12.357 1.00 0.40 N -ATOM 1944 CA LYS A 245 19.294 12.496 -12.714 1.00 0.40 C -ATOM 1945 C LYS A 245 20.333 12.971 -11.715 1.00 0.40 C -ATOM 1946 O LYS A 245 20.908 12.167 -11.005 1.00 0.40 O -ATOM 1947 CB LYS A 245 19.665 12.985 -14.113 1.00 0.40 C -ATOM 1948 CG LYS A 245 21.148 12.952 -14.430 1.00 0.40 C -ATOM 1949 CD LYS A 245 21.696 11.536 -14.591 1.00 0.40 C -ATOM 1950 CE LYS A 245 22.051 10.854 -13.273 1.00 0.40 C -ATOM 1951 NZ LYS A 245 20.868 10.310 -12.547 1.00 0.40 N +ATOM 1943 N LYS A 245 17.968 12.981 -12.357 1.00 0.00 N +ATOM 1944 CA LYS A 245 19.294 12.496 -12.714 1.00 0.00 C +ATOM 1945 C LYS A 245 20.333 12.971 -11.715 1.00 0.00 C +ATOM 1946 O LYS A 245 20.908 12.167 -11.005 1.00 0.00 O +ATOM 1947 CB LYS A 245 19.665 12.985 -14.113 1.00 0.00 C +ATOM 1948 CG LYS A 245 21.148 12.952 -14.430 1.00 0.00 C +ATOM 1949 CD LYS A 245 21.696 11.536 -14.591 1.00 0.00 C +ATOM 1950 CE LYS A 245 22.051 10.854 -13.273 1.00 0.00 C +ATOM 1951 NZ LYS A 245 20.868 10.310 -12.547 1.00 0.00 N ATOM 1952 N ALA A 246 20.566 14.274 -11.663 1.00 0.00 N ATOM 1953 CA ALA A 246 21.553 14.857 -10.764 1.00 0.00 C ATOM 1954 C ALA A 246 21.252 14.574 -9.299 1.00 0.00 C @@ -2639,15 +2639,15 @@ ATOM 1962 CG GLU A 247 17.768 13.590 -6.144 1.00 0.00 C ATOM 1963 CD GLU A 247 18.501 14.749 -5.515 1.00 0.00 C ATOM 1964 OE1 GLU A 247 19.624 14.529 -5.002 1.00 0.00 O ATOM 1965 OE2 GLU A 247 17.975 15.884 -5.560 1.00 0.00 O -ATOM 1966 N LYS A 248 20.673 11.531 -8.254 1.00 0.19 N -ATOM 1967 CA LYS A 248 21.349 10.265 -8.142 1.00 0.19 C -ATOM 1968 C LYS A 248 22.811 10.537 -7.836 1.00 0.19 C -ATOM 1969 O LYS A 248 23.459 9.717 -7.189 1.00 0.19 O -ATOM 1970 CB LYS A 248 21.197 9.528 -9.477 1.00 0.19 C -ATOM 1971 CG LYS A 248 21.346 8.018 -9.426 1.00 0.19 C -ATOM 1972 CD LYS A 248 20.378 7.363 -10.420 1.00 0.19 C -ATOM 1973 CE LYS A 248 18.921 7.787 -10.134 1.00 0.19 C -ATOM 1974 NZ LYS A 248 17.912 7.168 -11.051 1.00 0.19 N +ATOM 1966 N LYS A 248 20.673 11.531 -8.254 1.00 0.00 N +ATOM 1967 CA LYS A 248 21.349 10.265 -8.142 1.00 0.00 C +ATOM 1968 C LYS A 248 22.811 10.537 -7.836 1.00 0.00 C +ATOM 1969 O LYS A 248 23.459 9.717 -7.189 1.00 0.00 O +ATOM 1970 CB LYS A 248 21.197 9.528 -9.477 1.00 0.00 C +ATOM 1971 CG LYS A 248 21.346 8.018 -9.426 1.00 0.00 C +ATOM 1972 CD LYS A 248 20.378 7.363 -10.420 1.00 0.00 C +ATOM 1973 CE LYS A 248 18.921 7.787 -10.134 1.00 0.00 C +ATOM 1974 NZ LYS A 248 17.912 7.168 -11.051 1.00 0.00 N ATOM 1975 N GLU A 249 23.322 11.689 -8.277 1.00 0.00 N ATOM 1976 CA GLU A 249 24.726 12.027 -8.064 1.00 0.00 C ATOM 1977 C GLU A 249 25.015 12.366 -6.624 1.00 0.00 C @@ -2671,25 +2671,25 @@ ATOM 1994 O THR A 251 25.140 8.882 -2.409 1.00 0.00 O ATOM 1995 CB THR A 251 22.069 9.485 -3.599 1.00 0.00 C ATOM 1996 OG1 THR A 251 20.951 10.382 -3.683 1.00 0.00 O ATOM 1997 CG2 THR A 251 21.747 8.434 -2.537 1.00 0.00 C -ATOM 1998 N ARG A 252 25.155 9.282 -4.632 1.00 0.60 N -ATOM 1999 CA ARG A 252 26.351 8.470 -4.901 1.00 0.60 C -ATOM 2000 C ARG A 252 27.477 8.991 -4.057 1.00 0.60 C -ATOM 2001 O ARG A 252 28.271 8.228 -3.538 1.00 0.60 O -ATOM 2002 CB ARG A 252 26.774 8.573 -6.372 1.00 0.60 C -ATOM 2003 CG ARG A 252 27.077 7.244 -7.130 1.00 0.60 C -ATOM 2004 CD ARG A 252 27.960 6.228 -6.350 1.00 0.60 C -ATOM 2005 NE ARG A 252 28.824 5.410 -7.225 1.00 0.60 N -ATOM 2006 CZ ARG A 252 29.215 4.159 -6.959 1.00 0.60 C -ATOM 2007 NH1 ARG A 252 28.804 3.566 -5.841 1.00 0.60 N -ATOM 2008 NH2 ARG A 252 30.040 3.513 -7.790 1.00 0.60 N -ATOM 2009 N MET A 253 27.546 10.303 -3.918 1.00 0.28 N -ATOM 2010 CA MET A 253 28.601 10.916 -3.136 1.00 0.28 C -ATOM 2011 C MET A 253 28.377 10.739 -1.645 1.00 0.28 C -ATOM 2012 O MET A 253 29.317 10.385 -0.927 1.00 0.28 O -ATOM 2013 CB MET A 253 28.690 12.395 -3.457 1.00 0.28 C -ATOM 2014 CG MET A 253 29.587 13.135 -2.518 1.00 0.28 C -ATOM 2015 SD MET A 253 29.852 14.776 -3.131 1.00 0.28 S -ATOM 2016 CE MET A 253 29.009 15.766 -1.952 1.00 0.28 C +ATOM 1998 N ARG A 252 25.155 9.282 -4.632 1.00 0.00 N +ATOM 1999 CA ARG A 252 26.351 8.470 -4.901 1.00 0.00 C +ATOM 2000 C ARG A 252 27.477 8.991 -4.057 1.00 0.00 C +ATOM 2001 O ARG A 252 28.271 8.228 -3.538 1.00 0.00 O +ATOM 2002 CB ARG A 252 26.774 8.573 -6.372 1.00 0.00 C +ATOM 2003 CG ARG A 252 27.077 7.244 -7.130 1.00 0.00 C +ATOM 2004 CD ARG A 252 27.960 6.228 -6.350 1.00 0.00 C +ATOM 2005 NE ARG A 252 28.824 5.410 -7.225 1.00 0.00 N +ATOM 2006 CZ ARG A 252 29.215 4.159 -6.959 1.00 0.00 C +ATOM 2007 NH1 ARG A 252 28.804 3.566 -5.841 1.00 0.00 N +ATOM 2008 NH2 ARG A 252 30.040 3.513 -7.790 1.00 0.00 N +ATOM 2009 N MET A 253 27.546 10.303 -3.918 1.00 0.00 N +ATOM 2010 CA MET A 253 28.601 10.916 -3.136 1.00 0.00 C +ATOM 2011 C MET A 253 28.377 10.739 -1.645 1.00 0.00 C +ATOM 2012 O MET A 253 29.317 10.385 -0.927 1.00 0.00 O +ATOM 2013 CB MET A 253 28.690 12.395 -3.457 1.00 0.00 C +ATOM 2014 CG MET A 253 29.587 13.135 -2.518 1.00 0.00 C +ATOM 2015 SD MET A 253 29.852 14.776 -3.131 1.00 0.00 S +ATOM 2016 CE MET A 253 29.009 15.766 -1.952 1.00 0.00 C ATOM 2017 N VAL A 254 27.160 11.004 -1.175 1.00 0.00 N ATOM 2018 CA VAL A 254 26.858 10.859 0.240 1.00 0.00 C ATOM 2019 C VAL A 254 27.175 9.449 0.655 1.00 0.00 C @@ -2697,30 +2697,30 @@ ATOM 2020 O VAL A 254 27.499 9.203 1.815 1.00 0.00 O ATOM 2021 CB VAL A 254 25.382 11.180 0.535 1.00 0.00 C ATOM 2022 CG1 VAL A 254 25.018 10.767 1.930 1.00 0.00 C ATOM 2023 CG2 VAL A 254 25.162 12.662 0.410 1.00 0.00 C -ATOM 2024 N ILE A 255 27.109 8.524 -0.294 1.00 0.12 N -ATOM 2025 CA ILE A 255 27.405 7.130 -0.006 1.00 0.12 C -ATOM 2026 C ILE A 255 28.926 6.932 0.025 1.00 0.12 C -ATOM 2027 O ILE A 255 29.426 6.217 0.888 1.00 0.12 O -ATOM 2028 CB ILE A 255 26.727 6.193 -1.058 1.00 0.12 C -ATOM 2029 CG1 ILE A 255 25.199 6.362 -1.004 1.00 0.12 C -ATOM 2030 CG2 ILE A 255 27.072 4.731 -0.785 1.00 0.12 C -ATOM 2031 CD1 ILE A 255 24.448 5.578 -2.093 1.00 0.12 C -ATOM 2032 N ILE A 256 29.661 7.565 -0.888 1.00 0.43 N -ATOM 2033 CA ILE A 256 31.115 7.444 -0.880 1.00 0.43 C -ATOM 2034 C ILE A 256 31.652 8.047 0.398 1.00 0.43 C -ATOM 2035 O ILE A 256 32.559 7.495 0.996 1.00 0.43 O -ATOM 2036 CB ILE A 256 31.740 8.179 -2.066 1.00 0.43 C -ATOM 2037 CG1 ILE A 256 31.471 7.388 -3.335 1.00 0.43 C -ATOM 2038 CG2 ILE A 256 33.246 8.358 -1.844 1.00 0.43 C -ATOM 2039 CD1 ILE A 256 32.159 6.070 -3.337 1.00 0.43 C -ATOM 2040 N MET A 257 31.075 9.174 0.804 1.00 0.12 N -ATOM 2041 CA MET A 257 31.468 9.884 2.018 1.00 0.12 C -ATOM 2042 C MET A 257 31.347 8.999 3.227 1.00 0.12 C -ATOM 2043 O MET A 257 32.082 9.187 4.207 1.00 0.12 O -ATOM 2044 CB MET A 257 30.577 11.102 2.235 1.00 0.12 C -ATOM 2045 CG MET A 257 30.908 12.306 1.401 1.00 0.12 C -ATOM 2046 SD MET A 257 29.728 13.579 1.841 1.00 0.12 S -ATOM 2047 CE MET A 257 30.372 14.233 3.378 1.00 0.12 C +ATOM 2024 N ILE A 255 27.109 8.524 -0.294 1.00 4.60 N +ATOM 2025 CA ILE A 255 27.405 7.130 -0.006 1.00 4.60 C +ATOM 2026 C ILE A 255 28.926 6.932 0.025 1.00 4.60 C +ATOM 2027 O ILE A 255 29.426 6.217 0.888 1.00 4.60 O +ATOM 2028 CB ILE A 255 26.727 6.193 -1.058 1.00 4.60 C +ATOM 2029 CG1 ILE A 255 25.199 6.362 -1.004 1.00 4.60 C +ATOM 2030 CG2 ILE A 255 27.072 4.731 -0.785 1.00 4.60 C +ATOM 2031 CD1 ILE A 255 24.448 5.578 -2.093 1.00 4.60 C +ATOM 2032 N ILE A 256 29.661 7.565 -0.888 1.00 0.00 N +ATOM 2033 CA ILE A 256 31.115 7.444 -0.880 1.00 0.00 C +ATOM 2034 C ILE A 256 31.652 8.047 0.398 1.00 0.00 C +ATOM 2035 O ILE A 256 32.559 7.495 0.996 1.00 0.00 O +ATOM 2036 CB ILE A 256 31.740 8.179 -2.066 1.00 0.00 C +ATOM 2037 CG1 ILE A 256 31.471 7.388 -3.335 1.00 0.00 C +ATOM 2038 CG2 ILE A 256 33.246 8.358 -1.844 1.00 0.00 C +ATOM 2039 CD1 ILE A 256 32.159 6.070 -3.337 1.00 0.00 C +ATOM 2040 N MET A 257 31.075 9.174 0.804 1.00 0.00 N +ATOM 2041 CA MET A 257 31.468 9.884 2.018 1.00 0.00 C +ATOM 2042 C MET A 257 31.347 8.999 3.227 1.00 0.00 C +ATOM 2043 O MET A 257 32.082 9.187 4.207 1.00 0.00 O +ATOM 2044 CB MET A 257 30.577 11.102 2.235 1.00 0.00 C +ATOM 2045 CG MET A 257 30.908 12.306 1.401 1.00 0.00 C +ATOM 2046 SD MET A 257 29.728 13.579 1.841 1.00 0.00 S +ATOM 2047 CE MET A 257 30.372 14.233 3.378 1.00 0.00 C ATOM 2048 N VAL A 258 30.409 8.061 3.179 1.00 0.00 N ATOM 2049 CA VAL A 258 30.193 7.135 4.286 1.00 0.00 C ATOM 2050 C VAL A 258 31.281 6.062 4.293 1.00 0.00 C @@ -2728,74 +2728,74 @@ ATOM 2051 O VAL A 258 31.797 5.710 5.354 1.00 0.00 O ATOM 2052 CB VAL A 258 28.814 6.467 4.174 1.00 0.00 C ATOM 2053 CG1 VAL A 258 28.648 5.449 5.281 1.00 0.00 C ATOM 2054 CG2 VAL A 258 27.718 7.529 4.235 1.00 0.00 C -ATOM 2055 N ILE A 259 31.630 5.546 3.119 1.00 0.36 N -ATOM 2056 CA ILE A 259 32.672 4.529 3.016 1.00 0.36 C -ATOM 2057 C ILE A 259 33.989 5.115 3.486 1.00 0.36 C -ATOM 2058 O ILE A 259 34.750 4.442 4.181 1.00 0.36 O -ATOM 2059 CB ILE A 259 32.835 4.056 1.541 1.00 0.36 C -ATOM 2060 CG1 ILE A 259 31.572 3.331 1.086 1.00 0.36 C -ATOM 2061 CG2 ILE A 259 34.010 3.123 1.399 1.00 0.36 C -ATOM 2062 CD1 ILE A 259 31.193 2.204 2.003 1.00 0.36 C -ATOM 2063 N ALA A 260 34.255 6.365 3.108 1.00 0.13 N -ATOM 2064 CA ALA A 260 35.497 7.036 3.476 1.00 0.13 C -ATOM 2065 C ALA A 260 35.573 7.196 4.972 1.00 0.13 C -ATOM 2066 O ALA A 260 36.650 7.069 5.539 1.00 0.13 O -ATOM 2067 CB ALA A 260 35.600 8.407 2.781 1.00 0.13 C -ATOM 2068 N PHE A 261 34.443 7.463 5.615 1.00 26.55 N -ATOM 2069 CA PHE A 261 34.422 7.635 7.063 1.00 26.55 C -ATOM 2070 C PHE A 261 34.803 6.338 7.774 1.00 26.55 C -ATOM 2071 O PHE A 261 35.666 6.346 8.654 1.00 26.55 O -ATOM 2072 CB PHE A 261 33.028 8.069 7.530 1.00 26.55 C -ATOM 2073 CG PHE A 261 32.941 8.332 9.012 1.00 26.55 C -ATOM 2074 CD1 PHE A 261 33.192 9.604 9.520 1.00 26.55 C -ATOM 2075 CD2 PHE A 261 32.651 7.297 9.905 1.00 26.55 C -ATOM 2076 CE1 PHE A 261 33.157 9.840 10.898 1.00 26.55 C -ATOM 2077 CE2 PHE A 261 32.615 7.518 11.284 1.00 26.55 C -ATOM 2078 CZ PHE A 261 32.867 8.786 11.784 1.00 26.55 C -ATOM 2079 N LEU A 262 34.158 5.240 7.401 1.00 0.07 N -ATOM 2080 CA LEU A 262 34.404 3.942 8.027 1.00 0.07 C -ATOM 2081 C LEU A 262 35.836 3.495 7.867 1.00 0.07 C -ATOM 2082 O LEU A 262 36.436 3.010 8.836 1.00 0.07 O -ATOM 2083 CB LEU A 262 33.462 2.923 7.424 1.00 0.07 C -ATOM 2084 CG LEU A 262 32.027 3.393 7.628 1.00 0.07 C -ATOM 2085 CD1 LEU A 262 31.158 2.787 6.571 1.00 0.07 C -ATOM 2086 CD2 LEU A 262 31.553 3.040 9.022 1.00 0.07 C -ATOM 2087 N ILE A 263 36.375 3.633 6.656 1.00 0.19 N -ATOM 2088 CA ILE A 263 37.760 3.269 6.375 1.00 0.19 C -ATOM 2089 C ILE A 263 38.659 4.009 7.361 1.00 0.19 C -ATOM 2090 O ILE A 263 39.573 3.448 7.963 1.00 0.19 O -ATOM 2091 CB ILE A 263 38.136 3.701 4.956 1.00 0.19 C -ATOM 2092 CG1 ILE A 263 37.361 2.877 3.952 1.00 0.19 C -ATOM 2093 CG2 ILE A 263 39.611 3.555 4.734 1.00 0.19 C -ATOM 2094 CD1 ILE A 263 37.689 3.236 2.544 1.00 0.19 C -ATOM 2095 N CYS A 264 38.345 5.279 7.535 1.00 0.08 N -ATOM 2096 CA CYS A 264 39.088 6.173 8.382 1.00 0.08 C -ATOM 2097 C CYS A 264 38.882 5.909 9.844 1.00 0.08 C -ATOM 2098 O CYS A 264 39.824 6.081 10.595 1.00 0.08 O -ATOM 2099 CB CYS A 264 38.651 7.590 8.067 1.00 0.08 C -ATOM 2100 SG CYS A 264 39.838 8.849 8.435 1.00 0.08 S -ATOM 2101 N TRP A 265 37.697 5.480 10.272 1.00 2.73 N -ATOM 2102 CA TRP A 265 37.491 5.322 11.714 1.00 2.73 C -ATOM 2103 C TRP A 265 37.334 3.916 12.252 1.00 2.73 C -ATOM 2104 O TRP A 265 37.499 3.734 13.472 1.00 2.73 O -ATOM 2105 CB TRP A 265 36.302 6.178 12.158 1.00 2.73 C -ATOM 2106 CG TRP A 265 36.600 7.618 12.005 1.00 2.73 C -ATOM 2107 CD1 TRP A 265 36.220 8.441 10.980 1.00 2.73 C -ATOM 2108 CD2 TRP A 265 37.411 8.406 12.875 1.00 2.73 C -ATOM 2109 NE1 TRP A 265 36.745 9.701 11.159 1.00 2.73 N -ATOM 2110 CE2 TRP A 265 37.480 9.709 12.314 1.00 2.73 C -ATOM 2111 CE3 TRP A 265 38.093 8.142 14.074 1.00 2.73 C -ATOM 2112 CZ2 TRP A 265 38.201 10.743 12.920 1.00 2.73 C -ATOM 2113 CZ3 TRP A 265 38.805 9.159 14.664 1.00 2.73 C -ATOM 2114 CH2 TRP A 265 38.855 10.449 14.089 1.00 2.73 C -ATOM 2115 N LEU A 266 37.030 2.935 11.413 1.00 0.04 N -ATOM 2116 CA LEU A 266 36.858 1.588 11.929 1.00 0.04 C -ATOM 2117 C LEU A 266 38.126 1.071 12.571 1.00 0.04 C -ATOM 2118 O LEU A 266 38.090 0.541 13.670 1.00 0.04 O -ATOM 2119 CB LEU A 266 36.379 0.655 10.820 1.00 0.04 C -ATOM 2120 CG LEU A 266 34.875 0.324 10.837 1.00 0.04 C -ATOM 2121 CD1 LEU A 266 34.118 1.234 11.783 1.00 0.04 C -ATOM 2122 CD2 LEU A 266 34.332 0.443 9.443 1.00 0.04 C +ATOM 2055 N ILE A 259 31.630 5.546 3.119 1.00 0.30 N +ATOM 2056 CA ILE A 259 32.672 4.529 3.016 1.00 0.30 C +ATOM 2057 C ILE A 259 33.989 5.115 3.486 1.00 0.30 C +ATOM 2058 O ILE A 259 34.750 4.442 4.181 1.00 0.30 O +ATOM 2059 CB ILE A 259 32.835 4.056 1.541 1.00 0.30 C +ATOM 2060 CG1 ILE A 259 31.572 3.331 1.086 1.00 0.30 C +ATOM 2061 CG2 ILE A 259 34.010 3.123 1.399 1.00 0.30 C +ATOM 2062 CD1 ILE A 259 31.193 2.204 2.003 1.00 0.30 C +ATOM 2063 N ALA A 260 34.255 6.365 3.108 1.00 0.00 N +ATOM 2064 CA ALA A 260 35.497 7.036 3.476 1.00 0.00 C +ATOM 2065 C ALA A 260 35.573 7.196 4.972 1.00 0.00 C +ATOM 2066 O ALA A 260 36.650 7.069 5.539 1.00 0.00 O +ATOM 2067 CB ALA A 260 35.600 8.407 2.781 1.00 0.00 C +ATOM 2068 N PHE A 261 34.443 7.463 5.615 1.00 70.06 N +ATOM 2069 CA PHE A 261 34.422 7.635 7.063 1.00 70.06 C +ATOM 2070 C PHE A 261 34.803 6.338 7.774 1.00 70.06 C +ATOM 2071 O PHE A 261 35.666 6.346 8.654 1.00 70.06 O +ATOM 2072 CB PHE A 261 33.028 8.069 7.530 1.00 70.06 C +ATOM 2073 CG PHE A 261 32.941 8.332 9.012 1.00 70.06 C +ATOM 2074 CD1 PHE A 261 33.192 9.604 9.520 1.00 70.06 C +ATOM 2075 CD2 PHE A 261 32.651 7.297 9.905 1.00 70.06 C +ATOM 2076 CE1 PHE A 261 33.157 9.840 10.898 1.00 70.06 C +ATOM 2077 CE2 PHE A 261 32.615 7.518 11.284 1.00 70.06 C +ATOM 2078 CZ PHE A 261 32.867 8.786 11.784 1.00 70.06 C +ATOM 2079 N LEU A 262 34.158 5.240 7.401 1.00 0.00 N +ATOM 2080 CA LEU A 262 34.404 3.942 8.027 1.00 0.00 C +ATOM 2081 C LEU A 262 35.836 3.495 7.867 1.00 0.00 C +ATOM 2082 O LEU A 262 36.436 3.010 8.836 1.00 0.00 O +ATOM 2083 CB LEU A 262 33.462 2.923 7.424 1.00 0.00 C +ATOM 2084 CG LEU A 262 32.027 3.393 7.628 1.00 0.00 C +ATOM 2085 CD1 LEU A 262 31.158 2.787 6.571 1.00 0.00 C +ATOM 2086 CD2 LEU A 262 31.553 3.040 9.022 1.00 0.00 C +ATOM 2087 N ILE A 263 36.375 3.633 6.656 1.00 0.00 N +ATOM 2088 CA ILE A 263 37.760 3.269 6.375 1.00 0.00 C +ATOM 2089 C ILE A 263 38.659 4.009 7.361 1.00 0.00 C +ATOM 2090 O ILE A 263 39.573 3.448 7.963 1.00 0.00 O +ATOM 2091 CB ILE A 263 38.136 3.701 4.956 1.00 0.00 C +ATOM 2092 CG1 ILE A 263 37.361 2.877 3.952 1.00 0.00 C +ATOM 2093 CG2 ILE A 263 39.611 3.555 4.734 1.00 0.00 C +ATOM 2094 CD1 ILE A 263 37.689 3.236 2.544 1.00 0.00 C +ATOM 2095 N CYS A 264 38.345 5.279 7.535 1.00 0.00 N +ATOM 2096 CA CYS A 264 39.088 6.173 8.382 1.00 0.00 C +ATOM 2097 C CYS A 264 38.882 5.909 9.844 1.00 0.00 C +ATOM 2098 O CYS A 264 39.824 6.081 10.595 1.00 0.00 O +ATOM 2099 CB CYS A 264 38.651 7.590 8.067 1.00 0.00 C +ATOM 2100 SG CYS A 264 39.838 8.849 8.435 1.00 0.00 S +ATOM 2101 N TRP A 265 37.697 5.480 10.272 1.00 0.00 N +ATOM 2102 CA TRP A 265 37.491 5.322 11.714 1.00 0.00 C +ATOM 2103 C TRP A 265 37.334 3.916 12.252 1.00 0.00 C +ATOM 2104 O TRP A 265 37.499 3.734 13.472 1.00 0.00 O +ATOM 2105 CB TRP A 265 36.302 6.178 12.158 1.00 0.00 C +ATOM 2106 CG TRP A 265 36.600 7.618 12.005 1.00 0.00 C +ATOM 2107 CD1 TRP A 265 36.220 8.441 10.980 1.00 0.00 C +ATOM 2108 CD2 TRP A 265 37.411 8.406 12.875 1.00 0.00 C +ATOM 2109 NE1 TRP A 265 36.745 9.701 11.159 1.00 0.00 N +ATOM 2110 CE2 TRP A 265 37.480 9.709 12.314 1.00 0.00 C +ATOM 2111 CE3 TRP A 265 38.093 8.142 14.074 1.00 0.00 C +ATOM 2112 CZ2 TRP A 265 38.201 10.743 12.920 1.00 0.00 C +ATOM 2113 CZ3 TRP A 265 38.805 9.159 14.664 1.00 0.00 C +ATOM 2114 CH2 TRP A 265 38.855 10.449 14.089 1.00 0.00 C +ATOM 2115 N LEU A 266 37.030 2.935 11.413 1.00 0.00 N +ATOM 2116 CA LEU A 266 36.858 1.588 11.929 1.00 0.00 C +ATOM 2117 C LEU A 266 38.126 1.071 12.571 1.00 0.00 C +ATOM 2118 O LEU A 266 38.090 0.541 13.670 1.00 0.00 O +ATOM 2119 CB LEU A 266 36.379 0.655 10.820 1.00 0.00 C +ATOM 2120 CG LEU A 266 34.875 0.324 10.837 1.00 0.00 C +ATOM 2121 CD1 LEU A 266 34.118 1.234 11.783 1.00 0.00 C +ATOM 2122 CD2 LEU A 266 34.332 0.443 9.443 1.00 0.00 C ATOM 2123 N PRO A 267 39.272 1.228 11.912 1.00 0.00 N ATOM 2124 CA PRO A 267 40.477 0.716 12.563 1.00 0.00 C ATOM 2125 C PRO A 267 40.749 1.331 13.940 1.00 0.00 C @@ -2815,154 +2815,154 @@ ATOM 2138 CE1 TYR A 268 41.990 6.206 18.388 1.00 0.00 C ATOM 2139 CE2 TYR A 268 39.622 6.621 18.376 1.00 0.00 C ATOM 2140 CZ TYR A 268 40.858 6.698 18.994 1.00 0.00 C ATOM 2141 OH TYR A 268 40.988 7.267 20.233 1.00 0.00 O -ATOM 2142 N ALA A 269 38.554 2.972 16.040 1.00 6.39 N -ATOM 2143 CA ALA A 269 37.483 2.528 16.911 1.00 6.39 C -ATOM 2144 C ALA A 269 37.695 1.078 17.281 1.00 6.39 C -ATOM 2145 O ALA A 269 37.456 0.697 18.424 1.00 6.39 O -ATOM 2146 CB ALA A 269 36.140 2.712 16.214 1.00 6.39 C -ATOM 2147 N GLY A 270 38.147 0.274 16.327 1.00 0.02 N -ATOM 2148 CA GLY A 270 38.382 -1.136 16.605 1.00 0.02 C -ATOM 2149 C GLY A 270 39.465 -1.386 17.648 1.00 0.02 C -ATOM 2150 O GLY A 270 39.268 -2.126 18.610 1.00 0.02 O -ATOM 2151 N VAL A 271 40.623 -0.760 17.453 1.00 0.19 N -ATOM 2152 CA VAL A 271 41.699 -0.911 18.404 1.00 0.19 C -ATOM 2153 C VAL A 271 41.219 -0.377 19.725 1.00 0.19 C -ATOM 2154 O VAL A 271 41.452 -1.011 20.730 1.00 0.19 O -ATOM 2155 CB VAL A 271 42.942 -0.139 17.974 1.00 0.19 C -ATOM 2156 CG1 VAL A 271 43.997 -0.177 19.079 1.00 0.19 C -ATOM 2157 CG2 VAL A 271 43.483 -0.744 16.705 1.00 0.19 C -ATOM 2158 N ALA A 272 40.524 0.760 19.710 1.00 0.11 N -ATOM 2159 CA ALA A 272 40.018 1.405 20.924 1.00 0.11 C -ATOM 2160 C ALA A 272 39.068 0.497 21.697 1.00 0.11 C -ATOM 2161 O ALA A 272 39.143 0.418 22.933 1.00 0.11 O -ATOM 2162 CB ALA A 272 39.322 2.699 20.564 1.00 0.11 C -ATOM 2163 N PHE A 273 38.176 -0.189 21.000 1.00 0.32 N -ATOM 2164 CA PHE A 273 37.256 -1.052 21.710 1.00 0.32 C -ATOM 2165 C PHE A 273 38.005 -2.212 22.323 1.00 0.32 C -ATOM 2166 O PHE A 273 37.740 -2.602 23.468 1.00 0.32 O -ATOM 2167 CB PHE A 273 36.190 -1.596 20.778 1.00 0.32 C -ATOM 2168 CG PHE A 273 35.111 -2.324 21.500 1.00 0.32 C -ATOM 2169 CD1 PHE A 273 34.190 -1.621 22.280 1.00 0.32 C -ATOM 2170 CD2 PHE A 273 35.062 -3.712 21.478 1.00 0.32 C -ATOM 2171 CE1 PHE A 273 33.236 -2.288 23.034 1.00 0.32 C -ATOM 2172 CE2 PHE A 273 34.116 -4.394 22.224 1.00 0.32 C -ATOM 2173 CZ PHE A 273 33.199 -3.680 23.009 1.00 0.32 C -ATOM 2174 N TYR A 274 38.932 -2.769 21.553 1.00 0.08 N -ATOM 2175 CA TYR A 274 39.743 -3.895 22.002 1.00 0.08 C -ATOM 2176 C TYR A 274 40.352 -3.572 23.340 1.00 0.08 C -ATOM 2177 O TYR A 274 40.076 -4.232 24.333 1.00 0.08 O -ATOM 2178 CB TYR A 274 40.861 -4.156 21.005 1.00 0.08 C -ATOM 2179 CG TYR A 274 41.764 -5.270 21.434 1.00 0.08 C -ATOM 2180 CD1 TYR A 274 41.470 -6.583 21.111 1.00 0.08 C -ATOM 2181 CD2 TYR A 274 42.898 -5.018 22.195 1.00 0.08 C -ATOM 2182 CE1 TYR A 274 42.285 -7.634 21.534 1.00 0.08 C -ATOM 2183 CE2 TYR A 274 43.725 -6.057 22.626 1.00 0.08 C -ATOM 2184 CZ TYR A 274 43.412 -7.368 22.290 1.00 0.08 C -ATOM 2185 OH TYR A 274 44.231 -8.412 22.690 1.00 0.08 O -ATOM 2186 N ILE A 275 41.194 -2.548 23.342 1.00 0.00 N -ATOM 2187 CA ILE A 275 41.889 -2.074 24.528 1.00 0.00 C -ATOM 2188 C ILE A 275 40.926 -1.914 25.670 1.00 0.00 C -ATOM 2189 O ILE A 275 41.246 -2.288 26.793 1.00 0.00 O -ATOM 2190 CB ILE A 275 42.585 -0.709 24.245 1.00 0.00 C -ATOM 2191 CG1 ILE A 275 43.772 -0.925 23.301 1.00 0.00 C -ATOM 2192 CG2 ILE A 275 43.014 -0.048 25.556 1.00 0.00 C -ATOM 2193 CD1 ILE A 275 44.196 0.310 22.557 1.00 0.00 C -ATOM 2194 N PHE A 276 39.752 -1.356 25.396 1.00 0.02 N -ATOM 2195 CA PHE A 276 38.779 -1.147 26.457 1.00 0.02 C -ATOM 2196 C PHE A 276 38.413 -2.486 27.029 1.00 0.02 C -ATOM 2197 O PHE A 276 38.315 -2.659 28.247 1.00 0.02 O -ATOM 2198 CB PHE A 276 37.529 -0.446 25.914 1.00 0.02 C -ATOM 2199 CG PHE A 276 36.482 -0.186 26.962 1.00 0.02 C -ATOM 2200 CD1 PHE A 276 36.734 0.687 28.015 1.00 0.02 C -ATOM 2201 CD2 PHE A 276 35.245 -0.818 26.902 1.00 0.02 C -ATOM 2202 CE1 PHE A 276 35.765 0.927 28.989 1.00 0.02 C -ATOM 2203 CE2 PHE A 276 34.282 -0.577 27.873 1.00 0.02 C -ATOM 2204 CZ PHE A 276 34.544 0.296 28.915 1.00 0.02 C -ATOM 2205 N THR A 277 38.251 -3.448 26.142 1.00 0.00 N -ATOM 2206 CA THR A 277 37.876 -4.775 26.556 1.00 0.00 C -ATOM 2207 C THR A 277 39.092 -5.609 26.926 1.00 0.00 C -ATOM 2208 O THR A 277 38.947 -6.764 27.273 1.00 0.00 O -ATOM 2209 CB THR A 277 37.071 -5.447 25.451 1.00 0.00 C -ATOM 2210 OG1 THR A 277 37.854 -5.508 24.255 1.00 0.00 O -ATOM 2211 CG2 THR A 277 35.812 -4.641 25.181 1.00 0.00 C -ATOM 2212 N HIS A 278 40.289 -5.044 26.861 1.00 0.95 N -ATOM 2213 CA HIS A 278 41.483 -5.804 27.235 1.00 0.95 C -ATOM 2214 C HIS A 278 42.454 -4.871 27.939 1.00 0.95 C -ATOM 2215 O HIS A 278 43.643 -4.848 27.626 1.00 0.95 O -ATOM 2216 CB HIS A 278 42.148 -6.413 25.998 1.00 0.95 C -ATOM 2217 CG HIS A 278 41.332 -7.472 25.326 1.00 0.95 C -ATOM 2218 ND1 HIS A 278 40.135 -7.206 24.696 1.00 0.95 N -ATOM 2219 CD2 HIS A 278 41.537 -8.806 25.193 1.00 0.95 C -ATOM 2220 CE1 HIS A 278 39.639 -8.330 24.205 1.00 0.95 C -ATOM 2221 NE2 HIS A 278 40.470 -9.316 24.493 1.00 0.95 N -ATOM 2222 N GLN A 279 41.941 -4.105 28.890 1.00 14.74 N -ATOM 2223 CA GLN A 279 42.743 -3.146 29.618 1.00 14.74 C -ATOM 2224 C GLN A 279 43.864 -3.871 30.345 1.00 14.74 C -ATOM 2225 O GLN A 279 43.640 -4.936 30.873 1.00 14.74 O -ATOM 2226 CB GLN A 279 41.822 -2.400 30.587 1.00 14.74 C -ATOM 2227 CG GLN A 279 40.492 -2.055 29.930 1.00 14.74 C -ATOM 2228 CD GLN A 279 39.481 -1.432 30.868 1.00 14.74 C -ATOM 2229 OE1 GLN A 279 39.399 -0.207 30.997 1.00 14.74 O -ATOM 2230 NE2 GLN A 279 38.701 -2.275 31.531 1.00 14.74 N +ATOM 2142 N ALA A 269 38.554 2.972 16.040 1.00100.00 N +ATOM 2143 CA ALA A 269 37.483 2.528 16.911 1.00100.00 C +ATOM 2144 C ALA A 269 37.695 1.078 17.281 1.00100.00 C +ATOM 2145 O ALA A 269 37.456 0.697 18.424 1.00100.00 O +ATOM 2146 CB ALA A 269 36.140 2.712 16.214 1.00100.00 C +ATOM 2147 N GLY A 270 38.147 0.274 16.327 1.00 1.64 N +ATOM 2148 CA GLY A 270 38.382 -1.136 16.605 1.00 1.64 C +ATOM 2149 C GLY A 270 39.465 -1.386 17.648 1.00 1.64 C +ATOM 2150 O GLY A 270 39.268 -2.126 18.610 1.00 1.64 O +ATOM 2151 N VAL A 271 40.623 -0.760 17.453 1.00 0.00 N +ATOM 2152 CA VAL A 271 41.699 -0.911 18.404 1.00 0.00 C +ATOM 2153 C VAL A 271 41.219 -0.377 19.725 1.00 0.00 C +ATOM 2154 O VAL A 271 41.452 -1.011 20.730 1.00 0.00 O +ATOM 2155 CB VAL A 271 42.942 -0.139 17.974 1.00 0.00 C +ATOM 2156 CG1 VAL A 271 43.997 -0.177 19.079 1.00 0.00 C +ATOM 2157 CG2 VAL A 271 43.483 -0.744 16.705 1.00 0.00 C +ATOM 2158 N ALA A 272 40.524 0.760 19.710 1.00 0.00 N +ATOM 2159 CA ALA A 272 40.018 1.405 20.924 1.00 0.00 C +ATOM 2160 C ALA A 272 39.068 0.497 21.697 1.00 0.00 C +ATOM 2161 O ALA A 272 39.143 0.418 22.933 1.00 0.00 O +ATOM 2162 CB ALA A 272 39.322 2.699 20.564 1.00 0.00 C +ATOM 2163 N PHE A 273 38.176 -0.189 21.000 1.00 0.00 N +ATOM 2164 CA PHE A 273 37.256 -1.052 21.710 1.00 0.00 C +ATOM 2165 C PHE A 273 38.005 -2.212 22.323 1.00 0.00 C +ATOM 2166 O PHE A 273 37.740 -2.602 23.468 1.00 0.00 O +ATOM 2167 CB PHE A 273 36.190 -1.596 20.778 1.00 0.00 C +ATOM 2168 CG PHE A 273 35.111 -2.324 21.500 1.00 0.00 C +ATOM 2169 CD1 PHE A 273 34.190 -1.621 22.280 1.00 0.00 C +ATOM 2170 CD2 PHE A 273 35.062 -3.712 21.478 1.00 0.00 C +ATOM 2171 CE1 PHE A 273 33.236 -2.288 23.034 1.00 0.00 C +ATOM 2172 CE2 PHE A 273 34.116 -4.394 22.224 1.00 0.00 C +ATOM 2173 CZ PHE A 273 33.199 -3.680 23.009 1.00 0.00 C +ATOM 2174 N TYR A 274 38.932 -2.769 21.553 1.00 0.00 N +ATOM 2175 CA TYR A 274 39.743 -3.895 22.002 1.00 0.00 C +ATOM 2176 C TYR A 274 40.352 -3.572 23.340 1.00 0.00 C +ATOM 2177 O TYR A 274 40.076 -4.232 24.333 1.00 0.00 O +ATOM 2178 CB TYR A 274 40.861 -4.156 21.005 1.00 0.00 C +ATOM 2179 CG TYR A 274 41.764 -5.270 21.434 1.00 0.00 C +ATOM 2180 CD1 TYR A 274 41.470 -6.583 21.111 1.00 0.00 C +ATOM 2181 CD2 TYR A 274 42.898 -5.018 22.195 1.00 0.00 C +ATOM 2182 CE1 TYR A 274 42.285 -7.634 21.534 1.00 0.00 C +ATOM 2183 CE2 TYR A 274 43.725 -6.057 22.626 1.00 0.00 C +ATOM 2184 CZ TYR A 274 43.412 -7.368 22.290 1.00 0.00 C +ATOM 2185 OH TYR A 274 44.231 -8.412 22.690 1.00 0.00 O +ATOM 2186 N ILE A 275 41.194 -2.548 23.342 1.00 8.24 N +ATOM 2187 CA ILE A 275 41.889 -2.074 24.528 1.00 8.24 C +ATOM 2188 C ILE A 275 40.926 -1.914 25.670 1.00 8.24 C +ATOM 2189 O ILE A 275 41.246 -2.288 26.793 1.00 8.24 O +ATOM 2190 CB ILE A 275 42.585 -0.709 24.245 1.00 8.24 C +ATOM 2191 CG1 ILE A 275 43.772 -0.925 23.301 1.00 8.24 C +ATOM 2192 CG2 ILE A 275 43.014 -0.048 25.556 1.00 8.24 C +ATOM 2193 CD1 ILE A 275 44.196 0.310 22.557 1.00 8.24 C +ATOM 2194 N PHE A 276 39.752 -1.356 25.396 1.00 2.13 N +ATOM 2195 CA PHE A 276 38.779 -1.147 26.457 1.00 2.13 C +ATOM 2196 C PHE A 276 38.413 -2.486 27.029 1.00 2.13 C +ATOM 2197 O PHE A 276 38.315 -2.659 28.247 1.00 2.13 O +ATOM 2198 CB PHE A 276 37.529 -0.446 25.914 1.00 2.13 C +ATOM 2199 CG PHE A 276 36.482 -0.186 26.962 1.00 2.13 C +ATOM 2200 CD1 PHE A 276 36.734 0.687 28.015 1.00 2.13 C +ATOM 2201 CD2 PHE A 276 35.245 -0.818 26.902 1.00 2.13 C +ATOM 2202 CE1 PHE A 276 35.765 0.927 28.989 1.00 2.13 C +ATOM 2203 CE2 PHE A 276 34.282 -0.577 27.873 1.00 2.13 C +ATOM 2204 CZ PHE A 276 34.544 0.296 28.915 1.00 2.13 C +ATOM 2205 N THR A 277 38.251 -3.448 26.142 1.00 0.09 N +ATOM 2206 CA THR A 277 37.876 -4.775 26.556 1.00 0.09 C +ATOM 2207 C THR A 277 39.092 -5.609 26.926 1.00 0.09 C +ATOM 2208 O THR A 277 38.947 -6.764 27.273 1.00 0.09 O +ATOM 2209 CB THR A 277 37.071 -5.447 25.451 1.00 0.09 C +ATOM 2210 OG1 THR A 277 37.854 -5.508 24.255 1.00 0.09 O +ATOM 2211 CG2 THR A 277 35.812 -4.641 25.181 1.00 0.09 C +ATOM 2212 N HIS A 278 40.289 -5.044 26.861 1.00 2.13 N +ATOM 2213 CA HIS A 278 41.483 -5.804 27.235 1.00 2.13 C +ATOM 2214 C HIS A 278 42.454 -4.871 27.939 1.00 2.13 C +ATOM 2215 O HIS A 278 43.643 -4.848 27.626 1.00 2.13 O +ATOM 2216 CB HIS A 278 42.148 -6.413 25.998 1.00 2.13 C +ATOM 2217 CG HIS A 278 41.332 -7.472 25.326 1.00 2.13 C +ATOM 2218 ND1 HIS A 278 40.135 -7.206 24.696 1.00 2.13 N +ATOM 2219 CD2 HIS A 278 41.537 -8.806 25.193 1.00 2.13 C +ATOM 2220 CE1 HIS A 278 39.639 -8.330 24.205 1.00 2.13 C +ATOM 2221 NE2 HIS A 278 40.470 -9.316 24.493 1.00 2.13 N +ATOM 2222 N GLN A 279 41.941 -4.105 28.890 1.00 0.00 N +ATOM 2223 CA GLN A 279 42.743 -3.146 29.618 1.00 0.00 C +ATOM 2224 C GLN A 279 43.864 -3.871 30.345 1.00 0.00 C +ATOM 2225 O GLN A 279 43.640 -4.936 30.873 1.00 0.00 O +ATOM 2226 CB GLN A 279 41.822 -2.400 30.587 1.00 0.00 C +ATOM 2227 CG GLN A 279 40.492 -2.055 29.930 1.00 0.00 C +ATOM 2228 CD GLN A 279 39.481 -1.432 30.868 1.00 0.00 C +ATOM 2229 OE1 GLN A 279 39.399 -0.207 30.997 1.00 0.00 O +ATOM 2230 NE2 GLN A 279 38.701 -2.275 31.531 1.00 0.00 N ATOM 2231 N GLY A 280 45.075 -3.323 30.338 1.00 0.00 N ATOM 2232 CA GLY A 280 46.174 -3.959 31.053 1.00 0.00 C ATOM 2233 C GLY A 280 46.905 -5.103 30.371 1.00 0.00 C ATOM 2234 O GLY A 280 47.923 -5.588 30.880 1.00 0.00 O -ATOM 2235 N SER A 281 46.386 -5.540 29.229 1.00 0.38 N -ATOM 2236 CA SER A 281 47.003 -6.617 28.476 1.00 0.38 C -ATOM 2237 C SER A 281 48.261 -6.115 27.827 1.00 0.38 C -ATOM 2238 O SER A 281 48.593 -4.935 27.948 1.00 0.38 O -ATOM 2239 CB SER A 281 46.048 -7.154 27.418 1.00 0.38 C -ATOM 2240 OG SER A 281 45.542 -6.112 26.606 1.00 0.38 O -ATOM 2241 N ASP A 282 48.934 -6.994 27.097 1.00 2.78 N -ATOM 2242 CA ASP A 282 50.206 -6.643 26.508 1.00 2.78 C -ATOM 2243 C ASP A 282 50.185 -6.109 25.075 1.00 2.78 C -ATOM 2244 O ASP A 282 50.551 -6.832 24.154 1.00 2.78 O -ATOM 2245 CB ASP A 282 51.134 -7.851 26.592 1.00 2.78 C -ATOM 2246 CG ASP A 282 52.594 -7.489 26.337 1.00 2.78 C -ATOM 2247 OD1 ASP A 282 52.899 -6.273 26.283 1.00 2.78 O -ATOM 2248 OD2 ASP A 282 53.436 -8.419 26.208 1.00 2.78 O -ATOM 2249 N PHE A 283 49.777 -4.861 24.871 1.00 0.30 N -ATOM 2250 CA PHE A 283 49.839 -4.277 23.535 1.00 0.30 C -ATOM 2251 C PHE A 283 50.973 -3.270 23.555 1.00 0.30 C -ATOM 2252 O PHE A 283 51.353 -2.827 24.633 1.00 0.30 O -ATOM 2253 CB PHE A 283 48.512 -3.604 23.130 1.00 0.30 C -ATOM 2254 CG PHE A 283 47.867 -2.805 24.211 1.00 0.30 C -ATOM 2255 CD1 PHE A 283 46.885 -3.368 25.008 1.00 0.30 C -ATOM 2256 CD2 PHE A 283 48.247 -1.489 24.442 1.00 0.30 C -ATOM 2257 CE1 PHE A 283 46.285 -2.635 26.028 1.00 0.30 C -ATOM 2258 CE2 PHE A 283 47.656 -0.743 25.459 1.00 0.30 C -ATOM 2259 CZ PHE A 283 46.671 -1.319 26.257 1.00 0.30 C -ATOM 2260 N GLY A 284 51.525 -2.911 22.398 1.00 0.76 N -ATOM 2261 CA GLY A 284 52.632 -1.960 22.386 1.00 0.76 C -ATOM 2262 C GLY A 284 52.278 -0.583 21.869 1.00 0.76 C -ATOM 2263 O GLY A 284 51.132 -0.349 21.492 1.00 0.76 O -ATOM 2264 N PRO A 285 53.249 0.348 21.821 1.00 0.14 N -ATOM 2265 CA PRO A 285 53.005 1.717 21.338 1.00 0.14 C -ATOM 2266 C PRO A 285 52.540 1.859 19.889 1.00 0.14 C -ATOM 2267 O PRO A 285 51.765 2.756 19.576 1.00 0.14 O -ATOM 2268 CB PRO A 285 54.348 2.423 21.593 1.00 0.14 C -ATOM 2269 CG PRO A 285 55.334 1.332 21.465 1.00 0.14 C -ATOM 2270 CD PRO A 285 54.661 0.177 22.201 1.00 0.14 C -ATOM 2271 N ILE A 286 52.996 0.976 19.010 1.00 29.06 N -ATOM 2272 CA ILE A 286 52.630 1.068 17.598 1.00 29.06 C -ATOM 2273 C ILE A 286 51.182 0.675 17.402 1.00 29.06 C -ATOM 2274 O ILE A 286 50.502 1.235 16.543 1.00 29.06 O -ATOM 2275 CB ILE A 286 53.541 0.156 16.725 1.00 29.06 C -ATOM 2276 CG1 ILE A 286 55.026 0.364 17.092 1.00 29.06 C -ATOM 2277 CG2 ILE A 286 53.308 0.454 15.256 1.00 29.06 C -ATOM 2278 CD1 ILE A 286 55.574 1.772 16.896 1.00 29.06 C -ATOM 2279 N PHE A 287 50.723 -0.275 18.208 1.00 0.37 N -ATOM 2280 CA PHE A 287 49.361 -0.774 18.140 1.00 0.37 C -ATOM 2281 C PHE A 287 48.375 0.329 17.787 1.00 0.37 C -ATOM 2282 O PHE A 287 47.716 0.250 16.741 1.00 0.37 O -ATOM 2283 CB PHE A 287 48.985 -1.418 19.481 1.00 0.37 C -ATOM 2284 CG PHE A 287 47.660 -2.146 19.470 1.00 0.37 C -ATOM 2285 CD1 PHE A 287 47.263 -2.900 18.367 1.00 0.37 C -ATOM 2286 CD2 PHE A 287 46.846 -2.148 20.600 1.00 0.37 C -ATOM 2287 CE1 PHE A 287 46.081 -3.647 18.397 1.00 0.37 C -ATOM 2288 CE2 PHE A 287 45.665 -2.891 20.644 1.00 0.37 C -ATOM 2289 CZ PHE A 287 45.286 -3.638 19.544 1.00 0.37 C +ATOM 2235 N SER A 281 46.386 -5.540 29.229 1.00 0.00 N +ATOM 2236 CA SER A 281 47.003 -6.617 28.476 1.00 0.00 C +ATOM 2237 C SER A 281 48.261 -6.115 27.827 1.00 0.00 C +ATOM 2238 O SER A 281 48.593 -4.935 27.948 1.00 0.00 O +ATOM 2239 CB SER A 281 46.048 -7.154 27.418 1.00 0.00 C +ATOM 2240 OG SER A 281 45.542 -6.112 26.606 1.00 0.00 O +ATOM 2241 N ASP A 282 48.934 -6.994 27.097 1.00 0.00 N +ATOM 2242 CA ASP A 282 50.206 -6.643 26.508 1.00 0.00 C +ATOM 2243 C ASP A 282 50.185 -6.109 25.075 1.00 0.00 C +ATOM 2244 O ASP A 282 50.551 -6.832 24.154 1.00 0.00 O +ATOM 2245 CB ASP A 282 51.134 -7.851 26.592 1.00 0.00 C +ATOM 2246 CG ASP A 282 52.594 -7.489 26.337 1.00 0.00 C +ATOM 2247 OD1 ASP A 282 52.899 -6.273 26.283 1.00 0.00 O +ATOM 2248 OD2 ASP A 282 53.436 -8.419 26.208 1.00 0.00 O +ATOM 2249 N PHE A 283 49.777 -4.861 24.871 1.00 0.00 N +ATOM 2250 CA PHE A 283 49.839 -4.277 23.535 1.00 0.00 C +ATOM 2251 C PHE A 283 50.973 -3.270 23.555 1.00 0.00 C +ATOM 2252 O PHE A 283 51.353 -2.827 24.633 1.00 0.00 O +ATOM 2253 CB PHE A 283 48.512 -3.604 23.130 1.00 0.00 C +ATOM 2254 CG PHE A 283 47.867 -2.805 24.211 1.00 0.00 C +ATOM 2255 CD1 PHE A 283 46.885 -3.368 25.008 1.00 0.00 C +ATOM 2256 CD2 PHE A 283 48.247 -1.489 24.442 1.00 0.00 C +ATOM 2257 CE1 PHE A 283 46.285 -2.635 26.028 1.00 0.00 C +ATOM 2258 CE2 PHE A 283 47.656 -0.743 25.459 1.00 0.00 C +ATOM 2259 CZ PHE A 283 46.671 -1.319 26.257 1.00 0.00 C +ATOM 2260 N GLY A 284 51.525 -2.911 22.398 1.00 0.00 N +ATOM 2261 CA GLY A 284 52.632 -1.960 22.386 1.00 0.00 C +ATOM 2262 C GLY A 284 52.278 -0.583 21.869 1.00 0.00 C +ATOM 2263 O GLY A 284 51.132 -0.349 21.492 1.00 0.00 O +ATOM 2264 N PRO A 285 53.249 0.348 21.821 1.00 0.00 N +ATOM 2265 CA PRO A 285 53.005 1.717 21.338 1.00 0.00 C +ATOM 2266 C PRO A 285 52.540 1.859 19.889 1.00 0.00 C +ATOM 2267 O PRO A 285 51.765 2.756 19.576 1.00 0.00 O +ATOM 2268 CB PRO A 285 54.348 2.423 21.593 1.00 0.00 C +ATOM 2269 CG PRO A 285 55.334 1.332 21.465 1.00 0.00 C +ATOM 2270 CD PRO A 285 54.661 0.177 22.201 1.00 0.00 C +ATOM 2271 N ILE A 286 52.996 0.976 19.010 1.00 0.00 N +ATOM 2272 CA ILE A 286 52.630 1.068 17.598 1.00 0.00 C +ATOM 2273 C ILE A 286 51.182 0.675 17.402 1.00 0.00 C +ATOM 2274 O ILE A 286 50.502 1.235 16.543 1.00 0.00 O +ATOM 2275 CB ILE A 286 53.541 0.156 16.725 1.00 0.00 C +ATOM 2276 CG1 ILE A 286 55.026 0.364 17.092 1.00 0.00 C +ATOM 2277 CG2 ILE A 286 53.308 0.454 15.256 1.00 0.00 C +ATOM 2278 CD1 ILE A 286 55.574 1.772 16.896 1.00 0.00 C +ATOM 2279 N PHE A 287 50.723 -0.275 18.208 1.00 0.00 N +ATOM 2280 CA PHE A 287 49.361 -0.774 18.140 1.00 0.00 C +ATOM 2281 C PHE A 287 48.375 0.329 17.787 1.00 0.00 C +ATOM 2282 O PHE A 287 47.716 0.250 16.741 1.00 0.00 O +ATOM 2283 CB PHE A 287 48.985 -1.418 19.481 1.00 0.00 C +ATOM 2284 CG PHE A 287 47.660 -2.146 19.470 1.00 0.00 C +ATOM 2285 CD1 PHE A 287 47.263 -2.900 18.367 1.00 0.00 C +ATOM 2286 CD2 PHE A 287 46.846 -2.148 20.600 1.00 0.00 C +ATOM 2287 CE1 PHE A 287 46.081 -3.647 18.397 1.00 0.00 C +ATOM 2288 CE2 PHE A 287 45.665 -2.891 20.644 1.00 0.00 C +ATOM 2289 CZ PHE A 287 45.286 -3.638 19.544 1.00 0.00 C ATOM 2290 N MET A 288 48.287 1.369 18.611 1.00 0.00 N ATOM 2291 CA MET A 288 47.308 2.441 18.378 1.00 0.00 C ATOM 2292 C MET A 288 47.852 3.639 17.604 1.00 0.00 C @@ -2971,21 +2971,21 @@ ATOM 2294 CB MET A 288 46.718 2.892 19.721 1.00 0.00 C ATOM 2295 CG MET A 288 45.702 4.014 19.623 1.00 0.00 C ATOM 2296 SD MET A 288 44.301 3.691 18.533 1.00 0.00 S ATOM 2297 CE MET A 288 42.959 3.521 19.732 1.00 0.00 C -ATOM 2298 N THR A 289 49.156 3.747 17.456 1.00 0.75 N -ATOM 2299 CA THR A 289 49.665 4.885 16.726 1.00 0.75 C -ATOM 2300 C THR A 289 49.176 4.855 15.280 1.00 0.75 C -ATOM 2301 O THR A 289 48.738 5.880 14.749 1.00 0.75 O -ATOM 2302 CB THR A 289 51.198 4.906 16.759 1.00 0.75 C -ATOM 2303 OG1 THR A 289 51.637 5.052 18.113 1.00 0.75 O -ATOM 2304 CG2 THR A 289 51.732 6.051 15.941 1.00 0.75 C -ATOM 2305 N ILE A 290 49.220 3.689 14.650 1.00 0.53 N -ATOM 2306 CA ILE A 290 48.832 3.593 13.252 1.00 0.53 C -ATOM 2307 C ILE A 290 47.394 4.019 12.952 1.00 0.53 C -ATOM 2308 O ILE A 290 47.197 4.883 12.112 1.00 0.53 O -ATOM 2309 CB ILE A 290 49.043 2.176 12.703 1.00 0.53 C -ATOM 2310 CG1 ILE A 290 50.435 1.656 13.076 1.00 0.53 C -ATOM 2311 CG2 ILE A 290 48.853 2.206 11.187 1.00 0.53 C -ATOM 2312 CD1 ILE A 290 51.532 2.352 12.374 1.00 0.53 C +ATOM 2298 N THR A 289 49.156 3.747 17.456 1.00 0.87 N +ATOM 2299 CA THR A 289 49.665 4.885 16.726 1.00 0.87 C +ATOM 2300 C THR A 289 49.176 4.855 15.280 1.00 0.87 C +ATOM 2301 O THR A 289 48.738 5.880 14.749 1.00 0.87 O +ATOM 2302 CB THR A 289 51.198 4.906 16.759 1.00 0.87 C +ATOM 2303 OG1 THR A 289 51.637 5.052 18.113 1.00 0.87 O +ATOM 2304 CG2 THR A 289 51.732 6.051 15.941 1.00 0.87 C +ATOM 2305 N ILE A 290 49.220 3.689 14.650 1.00 0.00 N +ATOM 2306 CA ILE A 290 48.832 3.593 13.252 1.00 0.00 C +ATOM 2307 C ILE A 290 47.394 4.019 12.952 1.00 0.00 C +ATOM 2308 O ILE A 290 47.197 4.883 12.112 1.00 0.00 O +ATOM 2309 CB ILE A 290 49.043 2.176 12.703 1.00 0.00 C +ATOM 2310 CG1 ILE A 290 50.435 1.656 13.076 1.00 0.00 C +ATOM 2311 CG2 ILE A 290 48.853 2.206 11.187 1.00 0.00 C +ATOM 2312 CD1 ILE A 290 51.532 2.352 12.374 1.00 0.00 C ATOM 2313 N PRO A 291 46.379 3.430 13.607 1.00 0.00 N ATOM 2314 CA PRO A 291 45.019 3.869 13.270 1.00 0.00 C ATOM 2315 C PRO A 291 44.718 5.255 13.787 1.00 0.00 C @@ -2993,22 +2993,22 @@ ATOM 2316 O PRO A 291 43.953 5.975 13.170 1.00 0.00 O ATOM 2317 CB PRO A 291 44.139 2.802 13.915 1.00 0.00 C ATOM 2318 CG PRO A 291 44.890 2.438 15.107 1.00 0.00 C ATOM 2319 CD PRO A 291 46.334 2.348 14.606 1.00 0.00 C -ATOM 2320 N ALA A 292 45.324 5.625 14.912 1.00 9.73 N -ATOM 2321 CA ALA A 292 45.124 6.937 15.514 1.00 9.73 C -ATOM 2322 C ALA A 292 45.592 8.020 14.564 1.00 9.73 C -ATOM 2323 O ALA A 292 44.862 8.992 14.332 1.00 9.73 O -ATOM 2324 CB ALA A 292 45.887 7.029 16.820 1.00 9.73 C -ATOM 2325 N PHE A 293 46.797 7.870 14.013 1.00 0.54 N -ATOM 2326 CA PHE A 293 47.332 8.878 13.092 1.00 0.54 C -ATOM 2327 C PHE A 293 46.714 8.764 11.696 1.00 0.54 C -ATOM 2328 O PHE A 293 46.587 9.786 11.031 1.00 0.54 O -ATOM 2329 CB PHE A 293 48.881 8.812 13.022 1.00 0.54 C -ATOM 2330 CG PHE A 293 49.585 9.672 14.071 1.00 0.54 C -ATOM 2331 CD1 PHE A 293 49.547 9.322 15.428 1.00 0.54 C -ATOM 2332 CD2 PHE A 293 50.225 10.870 13.706 1.00 0.54 C -ATOM 2333 CE1 PHE A 293 50.126 10.153 16.400 1.00 0.54 C -ATOM 2334 CE2 PHE A 293 50.804 11.707 14.669 1.00 0.54 C -ATOM 2335 CZ PHE A 293 50.754 11.352 16.014 1.00 0.54 C +ATOM 2320 N ALA A 292 45.324 5.625 14.912 1.00 0.00 N +ATOM 2321 CA ALA A 292 45.124 6.937 15.514 1.00 0.00 C +ATOM 2322 C ALA A 292 45.592 8.020 14.564 1.00 0.00 C +ATOM 2323 O ALA A 292 44.862 8.992 14.332 1.00 0.00 O +ATOM 2324 CB ALA A 292 45.887 7.029 16.820 1.00 0.00 C +ATOM 2325 N PHE A 293 46.797 7.870 14.013 1.00 0.00 N +ATOM 2326 CA PHE A 293 47.332 8.878 13.092 1.00 0.00 C +ATOM 2327 C PHE A 293 46.714 8.764 11.696 1.00 0.00 C +ATOM 2328 O PHE A 293 46.587 9.786 11.031 1.00 0.00 O +ATOM 2329 CB PHE A 293 48.881 8.812 13.022 1.00 0.00 C +ATOM 2330 CG PHE A 293 49.585 9.672 14.071 1.00 0.00 C +ATOM 2331 CD1 PHE A 293 49.547 9.322 15.428 1.00 0.00 C +ATOM 2332 CD2 PHE A 293 50.225 10.870 13.706 1.00 0.00 C +ATOM 2333 CE1 PHE A 293 50.126 10.153 16.400 1.00 0.00 C +ATOM 2334 CE2 PHE A 293 50.804 11.707 14.669 1.00 0.00 C +ATOM 2335 CZ PHE A 293 50.754 11.352 16.014 1.00 0.00 C ATOM 2336 N PHE A 294 46.326 7.561 11.263 1.00 0.00 N ATOM 2337 CA PHE A 294 45.732 7.396 9.940 1.00 0.00 C ATOM 2338 C PHE A 294 44.389 8.078 9.893 1.00 0.00 C @@ -3020,11 +3020,11 @@ ATOM 2343 CD2 PHE A 294 43.411 5.053 8.598 1.00 0.00 C ATOM 2344 CE1 PHE A 294 44.069 6.030 6.101 1.00 0.00 C ATOM 2345 CE2 PHE A 294 42.530 4.893 7.519 1.00 0.00 C ATOM 2346 CZ PHE A 294 42.865 5.383 6.275 1.00 0.00 C -ATOM 2347 N ALA A 295 43.659 8.005 11.001 1.00 1.21 N -ATOM 2348 CA ALA A 295 42.330 8.596 11.118 1.00 1.21 C -ATOM 2349 C ALA A 295 42.377 10.104 10.979 1.00 1.21 C -ATOM 2350 O ALA A 295 41.348 10.698 10.651 1.00 1.21 O -ATOM 2351 CB ALA A 295 41.707 8.218 12.446 1.00 1.21 C +ATOM 2347 N ALA A 295 43.659 8.005 11.001 1.00 0.00 N +ATOM 2348 CA ALA A 295 42.330 8.596 11.118 1.00 0.00 C +ATOM 2349 C ALA A 295 42.377 10.104 10.979 1.00 0.00 C +ATOM 2350 O ALA A 295 41.348 10.698 10.651 1.00 0.00 O +ATOM 2351 CB ALA A 295 41.707 8.218 12.446 1.00 0.00 C ATOM 2352 N LYS A 296 43.538 10.727 11.209 1.00 0.00 N ATOM 2353 CA LYS A 296 43.652 12.188 11.096 1.00 0.00 C ATOM 2354 C LYS A 296 43.513 12.639 9.657 1.00 0.00 C @@ -3034,31 +3034,31 @@ ATOM 2357 CG LYS A 296 45.045 12.291 13.101 1.00 0.00 C ATOM 2358 CD LYS A 296 46.393 12.695 13.669 1.00 0.00 C ATOM 2359 CE LYS A 296 46.627 12.709 15.174 1.00 0.00 C ATOM 2360 NZ LYS A 296 45.589 12.484 16.204 1.00 0.00 N -ATOM 2361 N THR A 297 43.430 11.724 8.693 1.00 0.14 N -ATOM 2362 CA THR A 297 43.258 12.147 7.309 1.00 0.14 C -ATOM 2363 C THR A 297 41.806 12.562 7.125 1.00 0.14 C -ATOM 2364 O THR A 297 41.417 13.080 6.070 1.00 0.14 O -ATOM 2365 CB THR A 297 43.636 11.025 6.313 1.00 0.14 C -ATOM 2366 OG1 THR A 297 42.953 9.810 6.657 1.00 0.14 O -ATOM 2367 CG2 THR A 297 45.127 10.805 6.321 1.00 0.14 C -ATOM 2368 N SER A 298 41.021 12.359 8.183 1.00 0.03 N -ATOM 2369 CA SER A 298 39.600 12.706 8.205 1.00 0.03 C -ATOM 2370 C SER A 298 39.404 14.208 8.059 1.00 0.03 C -ATOM 2371 O SER A 298 38.282 14.663 7.779 1.00 0.03 O -ATOM 2372 CB SER A 298 38.982 12.264 9.525 1.00 0.03 C -ATOM 2373 OG SER A 298 39.522 13.012 10.599 1.00 0.03 O -ATOM 2374 N ALA A 299 40.474 14.971 8.263 1.00 2.94 N -ATOM 2375 CA ALA A 299 40.401 16.420 8.162 1.00 2.94 C -ATOM 2376 C ALA A 299 40.595 16.845 6.742 1.00 2.94 C -ATOM 2377 O ALA A 299 40.545 18.049 6.462 1.00 2.94 O -ATOM 2378 CB ALA A 299 41.460 17.078 9.050 1.00 2.94 C -ATOM 2379 N VAL A 300 40.796 15.896 5.823 1.00 3.27 N -ATOM 2380 CA VAL A 300 41.029 16.278 4.428 1.00 3.27 C -ATOM 2381 C VAL A 300 40.230 15.502 3.380 1.00 3.27 C -ATOM 2382 O VAL A 300 39.856 16.088 2.371 1.00 3.27 O -ATOM 2383 CB VAL A 300 42.515 16.138 4.073 1.00 3.27 C -ATOM 2384 CG1 VAL A 300 43.356 16.903 5.048 1.00 3.27 C -ATOM 2385 CG2 VAL A 300 42.916 14.687 4.112 1.00 3.27 C +ATOM 2361 N THR A 297 43.430 11.724 8.693 1.00 1.30 N +ATOM 2362 CA THR A 297 43.258 12.147 7.309 1.00 1.30 C +ATOM 2363 C THR A 297 41.806 12.562 7.125 1.00 1.30 C +ATOM 2364 O THR A 297 41.417 13.080 6.070 1.00 1.30 O +ATOM 2365 CB THR A 297 43.636 11.025 6.313 1.00 1.30 C +ATOM 2366 OG1 THR A 297 42.953 9.810 6.657 1.00 1.30 O +ATOM 2367 CG2 THR A 297 45.127 10.805 6.321 1.00 1.30 C +ATOM 2368 N SER A 298 41.021 12.359 8.183 1.00 0.00 N +ATOM 2369 CA SER A 298 39.600 12.706 8.205 1.00 0.00 C +ATOM 2370 C SER A 298 39.404 14.208 8.059 1.00 0.00 C +ATOM 2371 O SER A 298 38.282 14.663 7.779 1.00 0.00 O +ATOM 2372 CB SER A 298 38.982 12.264 9.525 1.00 0.00 C +ATOM 2373 OG SER A 298 39.522 13.012 10.599 1.00 0.00 O +ATOM 2374 N ALA A 299 40.474 14.971 8.263 1.00 0.00 N +ATOM 2375 CA ALA A 299 40.401 16.420 8.162 1.00 0.00 C +ATOM 2376 C ALA A 299 40.595 16.845 6.742 1.00 0.00 C +ATOM 2377 O ALA A 299 40.545 18.049 6.462 1.00 0.00 O +ATOM 2378 CB ALA A 299 41.460 17.078 9.050 1.00 0.00 C +ATOM 2379 N VAL A 300 40.796 15.896 5.823 1.00 0.00 N +ATOM 2380 CA VAL A 300 41.029 16.278 4.428 1.00 0.00 C +ATOM 2381 C VAL A 300 40.230 15.502 3.380 1.00 0.00 C +ATOM 2382 O VAL A 300 39.856 16.088 2.371 1.00 0.00 O +ATOM 2383 CB VAL A 300 42.515 16.138 4.073 1.00 0.00 C +ATOM 2384 CG1 VAL A 300 43.356 16.903 5.048 1.00 0.00 C +ATOM 2385 CG2 VAL A 300 42.916 14.687 4.112 1.00 0.00 C ATOM 2386 N TYR A 301 39.946 14.224 3.587 1.00 0.00 N ATOM 2387 CA TYR A 301 39.275 13.498 2.521 1.00 0.00 C ATOM 2388 C TYR A 301 37.918 14.034 2.166 1.00 0.00 C @@ -3086,13 +3086,13 @@ ATOM 2409 O PRO A 303 36.653 17.916 -1.893 1.00 0.00 O ATOM 2410 CB PRO A 303 37.646 19.170 0.987 1.00 0.00 C ATOM 2411 CG PRO A 303 37.463 19.133 2.449 1.00 0.00 C ATOM 2412 CD PRO A 303 37.382 17.657 2.751 1.00 0.00 C -ATOM 2413 N VAL A 304 37.990 16.509 -0.757 1.00 0.06 N -ATOM 2414 CA VAL A 304 38.475 15.873 -1.970 1.00 0.06 C -ATOM 2415 C VAL A 304 37.340 15.141 -2.654 1.00 0.06 C -ATOM 2416 O VAL A 304 37.148 15.275 -3.856 1.00 0.06 O -ATOM 2417 CB VAL A 304 39.641 14.893 -1.659 1.00 0.06 C -ATOM 2418 CG1 VAL A 304 40.173 14.273 -2.937 1.00 0.06 C -ATOM 2419 CG2 VAL A 304 40.755 15.640 -0.966 1.00 0.06 C +ATOM 2413 N VAL A 304 37.990 16.509 -0.757 1.00 0.00 N +ATOM 2414 CA VAL A 304 38.475 15.873 -1.970 1.00 0.00 C +ATOM 2415 C VAL A 304 37.340 15.141 -2.654 1.00 0.00 C +ATOM 2416 O VAL A 304 37.148 15.275 -3.856 1.00 0.00 O +ATOM 2417 CB VAL A 304 39.641 14.893 -1.659 1.00 0.00 C +ATOM 2418 CG1 VAL A 304 40.173 14.273 -2.937 1.00 0.00 C +ATOM 2419 CG2 VAL A 304 40.755 15.640 -0.966 1.00 0.00 C ATOM 2420 N ILE A 305 36.580 14.379 -1.884 1.00 0.00 N ATOM 2421 CA ILE A 305 35.472 13.616 -2.432 1.00 0.00 C ATOM 2422 C ILE A 305 34.473 14.568 -3.045 1.00 0.00 C @@ -3113,22 +3113,22 @@ ATOM 2436 CE1 TYR A 306 30.150 19.800 -2.264 1.00 0.00 C ATOM 2437 CE2 TYR A 306 31.848 21.265 -1.373 1.00 0.00 C ATOM 2438 CZ TYR A 306 30.557 21.065 -1.812 1.00 0.00 C ATOM 2439 OH TYR A 306 29.689 22.139 -1.767 1.00 0.00 O -ATOM 2440 N ILE A 307 34.954 17.811 -4.257 1.00 0.25 N -ATOM 2441 CA ILE A 307 35.397 18.432 -5.484 1.00 0.25 C -ATOM 2442 C ILE A 307 35.446 17.432 -6.633 1.00 0.25 C -ATOM 2443 O ILE A 307 35.173 17.803 -7.781 1.00 0.25 O -ATOM 2444 CB ILE A 307 36.752 19.050 -5.253 1.00 0.25 C -ATOM 2445 CG1 ILE A 307 36.637 19.996 -4.068 1.00 0.25 C -ATOM 2446 CG2 ILE A 307 37.219 19.781 -6.488 1.00 0.25 C -ATOM 2447 CD1 ILE A 307 37.939 20.413 -3.501 1.00 0.25 C -ATOM 2448 N MET A 308 35.767 16.175 -6.348 1.00 0.01 N -ATOM 2449 CA MET A 308 35.831 15.174 -7.407 1.00 0.01 C -ATOM 2450 C MET A 308 34.445 14.653 -7.776 1.00 0.01 C -ATOM 2451 O MET A 308 34.238 14.200 -8.919 1.00 0.01 O -ATOM 2452 CB MET A 308 36.707 13.990 -6.980 1.00 0.01 C -ATOM 2453 CG MET A 308 38.065 14.374 -6.431 1.00 0.01 C -ATOM 2454 SD MET A 308 38.902 15.651 -7.396 1.00 0.01 S -ATOM 2455 CE MET A 308 38.880 14.902 -8.936 1.00 0.01 C +ATOM 2440 N ILE A 307 34.954 17.811 -4.257 1.00 0.00 N +ATOM 2441 CA ILE A 307 35.397 18.432 -5.484 1.00 0.00 C +ATOM 2442 C ILE A 307 35.446 17.432 -6.633 1.00 0.00 C +ATOM 2443 O ILE A 307 35.173 17.803 -7.781 1.00 0.00 O +ATOM 2444 CB ILE A 307 36.752 19.050 -5.253 1.00 0.00 C +ATOM 2445 CG1 ILE A 307 36.637 19.996 -4.068 1.00 0.00 C +ATOM 2446 CG2 ILE A 307 37.219 19.781 -6.488 1.00 0.00 C +ATOM 2447 CD1 ILE A 307 37.939 20.413 -3.501 1.00 0.00 C +ATOM 2448 N MET A 308 35.767 16.175 -6.348 1.00 0.00 N +ATOM 2449 CA MET A 308 35.831 15.174 -7.407 1.00 0.00 C +ATOM 2450 C MET A 308 34.445 14.653 -7.776 1.00 0.00 C +ATOM 2451 O MET A 308 34.238 14.200 -8.919 1.00 0.00 O +ATOM 2452 CB MET A 308 36.707 13.990 -6.980 1.00 0.00 C +ATOM 2453 CG MET A 308 38.065 14.374 -6.431 1.00 0.00 C +ATOM 2454 SD MET A 308 38.902 15.651 -7.396 1.00 0.00 S +ATOM 2455 CE MET A 308 38.880 14.902 -8.936 1.00 0.00 C ATOM 2456 N MET A 309 33.499 14.708 -6.838 1.00 0.00 N ATOM 2457 CA MET A 309 32.157 14.172 -7.101 1.00 0.00 C ATOM 2458 C MET A 309 31.077 15.249 -7.203 1.00 0.00 C @@ -3145,15 +3145,15 @@ ATOM 2468 CB ASN A 310 30.307 18.224 -6.348 1.00 0.00 C ATOM 2469 CG ASN A 310 28.915 18.685 -6.128 1.00 0.00 C ATOM 2470 OD1 ASN A 310 28.577 19.849 -6.372 1.00 0.00 O ATOM 2471 ND2 ASN A 310 28.067 17.764 -5.680 1.00 0.00 N -ATOM 2472 N LYS A 311 30.371 18.224 -9.944 1.00 0.07 N -ATOM 2473 CA LYS A 311 30.693 19.042 -11.105 1.00 0.07 C -ATOM 2474 C LYS A 311 30.421 20.504 -10.825 1.00 0.07 C -ATOM 2475 O LYS A 311 31.208 21.347 -11.255 1.00 0.07 O -ATOM 2476 CB LYS A 311 29.879 18.577 -12.320 1.00 0.07 C -ATOM 2477 CG LYS A 311 30.543 18.809 -13.696 1.00 0.07 C -ATOM 2478 CD LYS A 311 31.240 17.531 -14.257 1.00 0.07 C -ATOM 2479 CE LYS A 311 31.672 17.659 -15.744 1.00 0.07 C -ATOM 2480 NZ LYS A 311 32.651 18.760 -15.986 1.00 0.07 N +ATOM 2472 N LYS A 311 30.371 18.224 -9.944 1.00 0.00 N +ATOM 2473 CA LYS A 311 30.693 19.042 -11.105 1.00 0.00 C +ATOM 2474 C LYS A 311 30.421 20.504 -10.825 1.00 0.00 C +ATOM 2475 O LYS A 311 31.208 21.347 -11.255 1.00 0.00 O +ATOM 2476 CB LYS A 311 29.879 18.577 -12.320 1.00 0.00 C +ATOM 2477 CG LYS A 311 30.543 18.809 -13.696 1.00 0.00 C +ATOM 2478 CD LYS A 311 31.240 17.531 -14.257 1.00 0.00 C +ATOM 2479 CE LYS A 311 31.672 17.659 -15.744 1.00 0.00 C +ATOM 2480 NZ LYS A 311 32.651 18.760 -15.986 1.00 0.00 N ATOM 2481 N GLN A 312 29.345 20.815 -10.099 1.00 0.00 N ATOM 2482 CA GLN A 312 29.012 22.211 -9.821 1.00 0.00 C ATOM 2483 C GLN A 312 29.961 22.877 -8.862 1.00 0.00 C @@ -3185,14 +3185,14 @@ ATOM 2508 NE ARG A 314 35.141 18.526 -11.725 1.00 0.00 N ATOM 2509 CZ ARG A 314 34.273 17.521 -11.623 1.00 0.00 C ATOM 2510 NH1 ARG A 314 34.155 16.845 -10.487 1.00 0.00 N ATOM 2511 NH2 ARG A 314 33.564 17.142 -12.676 1.00 0.00 N -ATOM 2512 N ASN A 315 33.414 23.330 -10.493 1.00 0.23 N -ATOM 2513 CA ASN A 315 33.347 24.426 -11.444 1.00 0.23 C -ATOM 2514 C ASN A 315 33.394 25.754 -10.746 1.00 0.23 C -ATOM 2515 O ASN A 315 34.075 26.657 -11.213 1.00 0.23 O -ATOM 2516 CB ASN A 315 32.060 24.327 -12.233 1.00 0.23 C -ATOM 2517 CG ASN A 315 32.256 23.663 -13.544 1.00 0.23 C -ATOM 2518 OD1 ASN A 315 32.756 24.282 -14.477 1.00 0.23 O -ATOM 2519 ND2 ASN A 315 31.890 22.386 -13.633 1.00 0.23 N +ATOM 2512 N ASN A 315 33.414 23.330 -10.493 1.00 0.00 N +ATOM 2513 CA ASN A 315 33.347 24.426 -11.444 1.00 0.00 C +ATOM 2514 C ASN A 315 33.394 25.754 -10.746 1.00 0.00 C +ATOM 2515 O ASN A 315 34.075 26.657 -11.213 1.00 0.00 O +ATOM 2516 CB ASN A 315 32.060 24.327 -12.233 1.00 0.00 C +ATOM 2517 CG ASN A 315 32.256 23.663 -13.544 1.00 0.00 C +ATOM 2518 OD1 ASN A 315 32.756 24.282 -14.477 1.00 0.00 O +ATOM 2519 ND2 ASN A 315 31.890 22.386 -13.633 1.00 0.00 N ATOM 2520 N CYS A 316 32.653 25.887 -9.650 1.00 0.00 N ATOM 2521 CA CYS A 316 32.641 27.139 -8.890 1.00 0.00 C ATOM 2522 C CYS A 316 34.029 27.388 -8.336 1.00 0.00 C @@ -3207,27 +3207,27 @@ ATOM 2530 CB MET A 317 36.547 25.062 -6.994 1.00 0.00 C ATOM 2531 CG MET A 317 37.944 25.065 -6.417 1.00 0.00 C ATOM 2532 SD MET A 317 38.527 23.397 -6.188 1.00 0.00 S ATOM 2533 CE MET A 317 38.980 22.924 -8.005 1.00 0.00 C -ATOM 2534 N VAL A 318 36.941 26.167 -9.844 1.00 1.26 N -ATOM 2535 CA VAL A 318 37.772 26.504 -10.988 1.00 1.26 C -ATOM 2536 C VAL A 318 37.479 27.929 -11.342 1.00 1.26 C -ATOM 2537 O VAL A 318 38.385 28.688 -11.614 1.00 1.26 O -ATOM 2538 CB VAL A 318 37.460 25.640 -12.195 1.00 1.26 C -ATOM 2539 CG1 VAL A 318 38.290 26.080 -13.355 1.00 1.26 C -ATOM 2540 CG2 VAL A 318 37.745 24.206 -11.875 1.00 1.26 C -ATOM 2541 N THR A 319 36.205 28.299 -11.330 1.00 0.06 N -ATOM 2542 CA THR A 319 35.818 29.670 -11.632 1.00 0.06 C -ATOM 2543 C THR A 319 36.507 30.611 -10.667 1.00 0.06 C -ATOM 2544 O THR A 319 37.049 31.616 -11.091 1.00 0.06 O -ATOM 2545 CB THR A 319 34.302 29.857 -11.513 1.00 0.06 C -ATOM 2546 OG1 THR A 319 33.664 29.357 -12.693 1.00 0.06 O -ATOM 2547 CG2 THR A 319 33.965 31.311 -11.330 1.00 0.06 C -ATOM 2548 N THR A 320 36.486 30.280 -9.377 1.00 0.03 N -ATOM 2549 CA THR A 320 37.111 31.102 -8.340 1.00 0.03 C -ATOM 2550 C THR A 320 38.619 31.138 -8.531 1.00 0.03 C -ATOM 2551 O THR A 320 39.179 32.218 -8.667 1.00 0.03 O -ATOM 2552 CB THR A 320 36.794 30.550 -6.928 1.00 0.03 C -ATOM 2553 OG1 THR A 320 35.377 30.532 -6.729 1.00 0.03 O -ATOM 2554 CG2 THR A 320 37.410 31.422 -5.855 1.00 0.03 C +ATOM 2534 N VAL A 318 36.941 26.167 -9.844 1.00 1.09 N +ATOM 2535 CA VAL A 318 37.772 26.504 -10.988 1.00 1.09 C +ATOM 2536 C VAL A 318 37.479 27.929 -11.342 1.00 1.09 C +ATOM 2537 O VAL A 318 38.385 28.688 -11.614 1.00 1.09 O +ATOM 2538 CB VAL A 318 37.460 25.640 -12.195 1.00 1.09 C +ATOM 2539 CG1 VAL A 318 38.290 26.080 -13.355 1.00 1.09 C +ATOM 2540 CG2 VAL A 318 37.745 24.206 -11.875 1.00 1.09 C +ATOM 2541 N THR A 319 36.205 28.299 -11.330 1.00 0.00 N +ATOM 2542 CA THR A 319 35.818 29.670 -11.632 1.00 0.00 C +ATOM 2543 C THR A 319 36.507 30.611 -10.667 1.00 0.00 C +ATOM 2544 O THR A 319 37.049 31.616 -11.091 1.00 0.00 O +ATOM 2545 CB THR A 319 34.302 29.857 -11.513 1.00 0.00 C +ATOM 2546 OG1 THR A 319 33.664 29.357 -12.693 1.00 0.00 O +ATOM 2547 CG2 THR A 319 33.965 31.311 -11.330 1.00 0.00 C +ATOM 2548 N THR A 320 36.486 30.280 -9.377 1.00 0.00 N +ATOM 2549 CA THR A 320 37.111 31.102 -8.340 1.00 0.00 C +ATOM 2550 C THR A 320 38.619 31.138 -8.531 1.00 0.00 C +ATOM 2551 O THR A 320 39.179 32.218 -8.667 1.00 0.00 O +ATOM 2552 CB THR A 320 36.794 30.550 -6.928 1.00 0.00 C +ATOM 2553 OG1 THR A 320 35.377 30.532 -6.729 1.00 0.00 O +ATOM 2554 CG2 THR A 320 37.410 31.422 -5.855 1.00 0.00 C ATOM 2555 N LEU A 321 39.267 29.971 -8.535 1.00 0.00 N ATOM 2556 CA LEU A 321 40.718 29.891 -8.713 1.00 0.00 C ATOM 2557 C LEU A 321 41.160 30.667 -9.938 1.00 0.00 C @@ -3242,40 +3242,40 @@ ATOM 2565 C CYS A 322 40.571 32.661 -12.178 1.00 0.00 C ATOM 2566 O CYS A 322 40.216 33.310 -13.153 1.00 0.00 O ATOM 2567 CB CYS A 322 40.095 30.680 -13.558 1.00 0.00 C ATOM 2568 SG CYS A 322 40.200 28.891 -13.832 1.00 0.00 S -ATOM 2569 N CYS A 323 40.733 33.157 -10.951 1.00 3.16 N -ATOM 2570 CA CYS A 323 40.564 34.565 -10.579 1.00 3.16 C -ATOM 2571 C CYS A 323 39.303 35.137 -11.195 1.00 3.16 C -ATOM 2572 O CYS A 323 38.373 35.452 -10.462 1.00 3.16 O -ATOM 2573 CB CYS A 323 41.787 35.378 -11.000 1.00 3.16 C -ATOM 2574 SG CYS A 323 43.328 34.809 -10.190 1.00 3.16 S -ATOM 2575 N GLY A 324 39.267 35.286 -12.512 1.00 2.92 N -ATOM 2576 CA GLY A 324 38.075 35.806 -13.153 1.00 2.92 C -ATOM 2577 C GLY A 324 36.999 34.739 -13.174 1.00 2.92 C -ATOM 2578 O GLY A 324 36.445 34.393 -12.142 1.00 2.92 O -ATOM 2579 N LYS A 325 36.701 34.215 -14.354 1.00 0.64 N -ATOM 2580 CA LYS A 325 35.694 33.172 -14.481 1.00 0.64 C -ATOM 2581 C LYS A 325 36.211 32.128 -15.437 1.00 0.64 C -ATOM 2582 O LYS A 325 37.259 31.515 -15.173 1.00 0.64 O -ATOM 2583 CB LYS A 325 34.364 33.744 -15.013 1.00 0.64 C -ATOM 2584 CG LYS A 325 33.211 32.729 -15.015 1.00 0.64 C -ATOM 2585 CD LYS A 325 32.142 33.025 -16.055 1.00 0.64 C -ATOM 2586 CE LYS A 325 31.171 31.867 -16.090 1.00 0.64 C -ATOM 2587 NZ LYS A 325 30.294 31.896 -17.263 1.00 0.64 N -ATOM 2588 N ASN A 326 35.494 31.948 -16.548 1.00 0.03 N -ATOM 2589 CA ASN A 326 35.859 30.966 -17.554 1.00 0.03 C -ATOM 2590 C ASN A 326 35.984 29.629 -16.849 1.00 0.03 C -ATOM 2591 O ASN A 326 37.095 29.134 -16.639 1.00 0.03 O -ATOM 2592 CB ASN A 326 37.176 31.381 -18.223 1.00 0.03 C -ATOM 2593 CG ASN A 326 37.681 30.359 -19.216 1.00 0.03 C -ATOM 2594 OD1 ASN A 326 36.927 29.836 -20.045 1.00 0.03 O -ATOM 2595 ND2 ASN A 326 38.974 30.079 -19.150 1.00 0.03 N -ATOM 2596 N PRO A 327 34.836 29.040 -16.446 1.00 0.02 N -ATOM 2597 CA PRO A 327 34.801 27.751 -15.748 1.00 0.02 C -ATOM 2598 C PRO A 327 35.182 26.585 -16.647 1.00 0.02 C -ATOM 2599 O PRO A 327 34.724 25.464 -16.401 1.00 0.02 O -ATOM 2600 CB PRO A 327 33.354 27.667 -15.257 1.00 0.02 C -ATOM 2601 CG PRO A 327 32.602 28.328 -16.363 1.00 0.02 C -ATOM 2602 CD PRO A 327 33.467 29.546 -16.671 1.00 0.02 C +ATOM 2569 N CYS A 323 40.733 33.157 -10.951 1.00 0.00 N +ATOM 2570 CA CYS A 323 40.564 34.565 -10.579 1.00 0.00 C +ATOM 2571 C CYS A 323 39.303 35.137 -11.195 1.00 0.00 C +ATOM 2572 O CYS A 323 38.373 35.452 -10.462 1.00 0.00 O +ATOM 2573 CB CYS A 323 41.787 35.378 -11.000 1.00 0.00 C +ATOM 2574 SG CYS A 323 43.328 34.809 -10.190 1.00 0.00 S +ATOM 2575 N GLY A 324 39.267 35.286 -12.512 1.00 0.00 N +ATOM 2576 CA GLY A 324 38.075 35.806 -13.153 1.00 0.00 C +ATOM 2577 C GLY A 324 36.999 34.739 -13.174 1.00 0.00 C +ATOM 2578 O GLY A 324 36.445 34.393 -12.142 1.00 0.00 O +ATOM 2579 N LYS A 325 36.701 34.215 -14.354 1.00 0.00 N +ATOM 2580 CA LYS A 325 35.694 33.172 -14.481 1.00 0.00 C +ATOM 2581 C LYS A 325 36.211 32.128 -15.437 1.00 0.00 C +ATOM 2582 O LYS A 325 37.259 31.515 -15.173 1.00 0.00 O +ATOM 2583 CB LYS A 325 34.364 33.744 -15.013 1.00 0.00 C +ATOM 2584 CG LYS A 325 33.211 32.729 -15.015 1.00 0.00 C +ATOM 2585 CD LYS A 325 32.142 33.025 -16.055 1.00 0.00 C +ATOM 2586 CE LYS A 325 31.171 31.867 -16.090 1.00 0.00 C +ATOM 2587 NZ LYS A 325 30.294 31.896 -17.263 1.00 0.00 N +ATOM 2588 N ASN A 326 35.494 31.948 -16.548 1.00 0.00 N +ATOM 2589 CA ASN A 326 35.859 30.966 -17.554 1.00 0.00 C +ATOM 2590 C ASN A 326 35.984 29.629 -16.849 1.00 0.00 C +ATOM 2591 O ASN A 326 37.095 29.134 -16.639 1.00 0.00 O +ATOM 2592 CB ASN A 326 37.176 31.381 -18.223 1.00 0.00 C +ATOM 2593 CG ASN A 326 37.681 30.359 -19.216 1.00 0.00 C +ATOM 2594 OD1 ASN A 326 36.927 29.836 -20.045 1.00 0.00 O +ATOM 2595 ND2 ASN A 326 38.974 30.079 -19.150 1.00 0.00 N +ATOM 2596 N PRO A 327 34.836 29.040 -16.446 1.00 0.00 N +ATOM 2597 CA PRO A 327 34.801 27.751 -15.748 1.00 0.00 C +ATOM 2598 C PRO A 327 35.182 26.585 -16.647 1.00 0.00 C +ATOM 2599 O PRO A 327 34.724 25.464 -16.401 1.00 0.00 O +ATOM 2600 CB PRO A 327 33.354 27.667 -15.257 1.00 0.00 C +ATOM 2601 CG PRO A 327 32.602 28.328 -16.363 1.00 0.00 C +ATOM 2602 CD PRO A 327 33.467 29.546 -16.671 1.00 0.00 C ATOM 2603 N LEU A 328 36.009 26.854 -17.664 1.00 0.00 N ATOM 2604 CA LEU A 328 36.481 25.848 -18.630 1.00 0.00 C ATOM 2605 C LEU A 328 35.712 24.543 -18.524 1.00 0.00 C @@ -3288,14 +3288,14 @@ ATOM 2611 N GLY A 329 36.325 23.554 -17.860 1.00 0.00 N ATOM 2612 CA GLY A 329 35.736 22.234 -17.668 1.00 0.00 C ATOM 2613 C GLY A 329 34.661 21.866 -18.668 1.00 0.00 C ATOM 2614 O GLY A 329 34.807 22.040 -19.884 1.00 0.00 O -ATOM 2615 N ASP A 330 33.580 21.314 -18.140 1.00 0.01 N -ATOM 2616 CA ASP A 330 32.422 20.972 -18.943 1.00 0.01 C -ATOM 2617 C ASP A 330 31.262 21.713 -18.301 1.00 0.01 C -ATOM 2618 O ASP A 330 30.115 21.537 -18.711 1.00 0.01 O -ATOM 2619 CB ASP A 330 32.160 19.458 -18.910 1.00 0.01 C -ATOM 2620 CG ASP A 330 33.254 18.660 -19.582 1.00 0.01 C -ATOM 2621 OD1 ASP A 330 33.060 17.443 -19.786 1.00 0.01 O -ATOM 2622 OD2 ASP A 330 34.308 19.246 -19.902 1.00 0.01 O +ATOM 2615 N ASP A 330 33.580 21.314 -18.140 1.00 0.00 N +ATOM 2616 CA ASP A 330 32.422 20.972 -18.943 1.00 0.00 C +ATOM 2617 C ASP A 330 31.262 21.713 -18.301 1.00 0.00 C +ATOM 2618 O ASP A 330 30.115 21.537 -18.711 1.00 0.00 O +ATOM 2619 CB ASP A 330 32.160 19.458 -18.910 1.00 0.00 C +ATOM 2620 CG ASP A 330 33.254 18.660 -19.582 1.00 0.00 C +ATOM 2621 OD1 ASP A 330 33.060 17.443 -19.786 1.00 0.00 O +ATOM 2622 OD2 ASP A 330 34.308 19.246 -19.902 1.00 0.00 O ATOM 2623 N ASP A 331 31.589 22.571 -17.325 1.00 0.00 N ATOM 2624 CA ASP A 331 30.606 23.326 -16.527 1.00 0.00 C ATOM 2625 C ASP A 331 29.782 22.244 -15.803 1.00 0.00 C @@ -3304,69 +3304,69 @@ ATOM 2627 CB ASP A 331 29.707 24.230 -17.425 1.00 0.00 C ATOM 2628 CG ASP A 331 29.906 25.761 -17.167 1.00 0.00 C ATOM 2629 OD1 ASP A 331 29.532 26.273 -16.079 1.00 0.00 O ATOM 2630 OD2 ASP A 331 30.429 26.459 -18.072 1.00 0.00 O -ATOM 2631 N GLU A 332 28.512 22.508 -15.489 1.00 0.03 N -ATOM 2632 CA GLU A 332 27.659 21.497 -14.849 1.00 0.03 C -ATOM 2633 C GLU A 332 26.561 21.132 -15.857 1.00 0.03 C -ATOM 2634 O GLU A 332 25.743 20.238 -15.597 1.00 0.03 O -ATOM 2635 CB GLU A 332 27.029 22.051 -13.555 1.00 0.03 C -ATOM 2636 CG GLU A 332 26.759 21.014 -12.430 1.00 0.03 C -ATOM 2637 CD GLU A 332 25.518 20.120 -12.639 1.00 0.03 C -ATOM 2638 OE1 GLU A 332 25.547 19.212 -13.496 1.00 0.03 O -ATOM 2639 OE2 GLU A 332 24.507 20.320 -11.931 1.00 0.03 O -ATOM 2640 N ALA A 333 26.571 21.813 -17.011 1.00 0.55 N -ATOM 2641 CA ALA A 333 25.571 21.617 -18.070 1.00 0.55 C -ATOM 2642 C ALA A 333 24.268 22.148 -17.532 1.00 0.55 C -ATOM 2643 O ALA A 333 23.406 22.622 -18.286 1.00 0.55 O -ATOM 2644 CB ALA A 333 25.433 20.131 -18.426 1.00 0.55 C -ATOM 2645 N SER A 334 24.155 22.058 -16.208 1.00 0.13 N -ATOM 2646 CA SER A 334 23.014 22.531 -15.448 1.00 0.13 C -ATOM 2647 C SER A 334 23.439 23.807 -14.700 1.00 0.13 C -ATOM 2648 O SER A 334 24.455 24.425 -15.055 1.00 0.13 O -ATOM 2649 CB SER A 334 22.542 21.437 -14.469 1.00 0.13 C -ATOM 2650 OG SER A 334 22.085 20.277 -15.158 1.00 0.13 O -ATOM 2651 N THR A 335 22.676 24.184 -13.678 1.00 0.80 N -ATOM 2652 CA THR A 335 22.926 25.397 -12.897 1.00 0.80 C -ATOM 2653 C THR A 335 24.411 25.674 -12.639 1.00 0.80 C -ATOM 2654 O THR A 335 25.266 24.788 -12.743 1.00 0.80 O -ATOM 2655 CB THR A 335 22.144 25.360 -11.526 1.00 0.80 C -ATOM 2656 OG1 THR A 335 22.424 24.137 -10.830 1.00 0.80 O -ATOM 2657 CG2 THR A 335 20.631 25.458 -11.757 1.00 0.80 C -ATOM 2658 N THR A 336 24.694 26.932 -12.321 1.00 0.50 N -ATOM 2659 CA THR A 336 26.035 27.407 -12.008 1.00 0.50 C -ATOM 2660 C THR A 336 25.882 28.333 -10.798 1.00 0.50 C -ATOM 2661 O THR A 336 24.785 28.379 -10.245 1.00 0.50 O -ATOM 2662 CB THR A 336 26.639 28.160 -13.227 1.00 0.50 C -ATOM 2663 OG1 THR A 336 25.574 28.650 -14.057 1.00 0.50 O -ATOM 2664 CG2 THR A 336 27.548 27.224 -14.052 1.00 0.50 C -ATOM 2665 N VAL A 337 26.935 29.031 -10.364 1.00 0.62 N -ATOM 2666 CA VAL A 337 26.817 29.941 -9.218 1.00 0.62 C -ATOM 2667 C VAL A 337 28.100 30.654 -8.913 1.00 0.62 C -ATOM 2668 O VAL A 337 29.163 30.150 -9.169 1.00 0.62 O -ATOM 2669 CB VAL A 337 26.356 29.219 -7.942 1.00 0.62 C -ATOM 2670 CG1 VAL A 337 26.965 27.842 -7.856 1.00 0.62 C -ATOM 2671 CG2 VAL A 337 26.749 30.034 -6.732 1.00 0.62 C -ATOM 2672 N SER A 338 27.975 31.842 -8.358 1.00 1.02 N -ATOM 2673 CA SER A 338 29.121 32.627 -8.015 1.00 1.02 C -ATOM 2674 C SER A 338 28.666 33.879 -7.334 1.00 1.02 C -ATOM 2675 O SER A 338 27.669 33.861 -6.603 1.00 1.02 O -ATOM 2676 CB SER A 338 29.886 32.983 -9.260 1.00 1.02 C -ATOM 2677 OG SER A 338 29.890 31.886 -10.125 1.00 1.02 O -ATOM 2678 N LYS A 339 29.378 34.974 -7.594 1.00 0.74 N -ATOM 2679 CA LYS A 339 29.087 36.275 -6.979 1.00 0.74 C -ATOM 2680 C LYS A 339 28.468 37.316 -7.975 1.00 0.74 C -ATOM 2681 O LYS A 339 27.272 37.616 -7.842 1.00 0.74 O -ATOM 2682 CB LYS A 339 30.382 36.821 -6.353 1.00 0.74 C -ATOM 2683 CG LYS A 339 30.197 37.906 -5.284 1.00 0.74 C -ATOM 2684 CD LYS A 339 31.536 38.579 -4.950 1.00 0.74 C -ATOM 2685 CE LYS A 339 32.136 39.250 -6.189 1.00 0.74 C -ATOM 2686 NZ LYS A 339 33.504 39.758 -5.943 1.00 0.74 N -ATOM 2687 N THR A 340 29.242 37.855 -8.933 1.00 0.02 N -ATOM 2688 CA THR A 340 28.720 38.859 -9.890 1.00 0.02 C -ATOM 2689 C THR A 340 28.493 38.294 -11.308 1.00 0.02 C -ATOM 2690 O THR A 340 27.836 38.967 -12.141 1.00 0.02 O -ATOM 2691 CB THR A 340 29.668 40.091 -10.015 1.00 0.02 C -ATOM 2692 OG1 THR A 340 29.128 41.025 -10.969 1.00 0.02 O -ATOM 2693 CG2 THR A 340 31.065 39.649 -10.468 1.00 0.02 C +ATOM 2631 N GLU A 332 28.512 22.508 -15.489 1.00 0.00 N +ATOM 2632 CA GLU A 332 27.659 21.497 -14.849 1.00 0.00 C +ATOM 2633 C GLU A 332 26.561 21.132 -15.857 1.00 0.00 C +ATOM 2634 O GLU A 332 25.743 20.238 -15.597 1.00 0.00 O +ATOM 2635 CB GLU A 332 27.029 22.051 -13.555 1.00 0.00 C +ATOM 2636 CG GLU A 332 26.759 21.014 -12.430 1.00 0.00 C +ATOM 2637 CD GLU A 332 25.518 20.120 -12.639 1.00 0.00 C +ATOM 2638 OE1 GLU A 332 25.547 19.212 -13.496 1.00 0.00 O +ATOM 2639 OE2 GLU A 332 24.507 20.320 -11.931 1.00 0.00 O +ATOM 2640 N ALA A 333 26.571 21.813 -17.011 1.00 0.00 N +ATOM 2641 CA ALA A 333 25.571 21.617 -18.070 1.00 0.00 C +ATOM 2642 C ALA A 333 24.268 22.148 -17.532 1.00 0.00 C +ATOM 2643 O ALA A 333 23.406 22.622 -18.286 1.00 0.00 O +ATOM 2644 CB ALA A 333 25.433 20.131 -18.426 1.00 0.00 C +ATOM 2645 N SER A 334 24.155 22.058 -16.208 1.00 0.00 N +ATOM 2646 CA SER A 334 23.014 22.531 -15.448 1.00 0.00 C +ATOM 2647 C SER A 334 23.439 23.807 -14.700 1.00 0.00 C +ATOM 2648 O SER A 334 24.455 24.425 -15.055 1.00 0.00 O +ATOM 2649 CB SER A 334 22.542 21.437 -14.469 1.00 0.00 C +ATOM 2650 OG SER A 334 22.085 20.277 -15.158 1.00 0.00 O +ATOM 2651 N THR A 335 22.676 24.184 -13.678 1.00 0.00 N +ATOM 2652 CA THR A 335 22.926 25.397 -12.897 1.00 0.00 C +ATOM 2653 C THR A 335 24.411 25.674 -12.639 1.00 0.00 C +ATOM 2654 O THR A 335 25.266 24.788 -12.743 1.00 0.00 O +ATOM 2655 CB THR A 335 22.144 25.360 -11.526 1.00 0.00 C +ATOM 2656 OG1 THR A 335 22.424 24.137 -10.830 1.00 0.00 O +ATOM 2657 CG2 THR A 335 20.631 25.458 -11.757 1.00 0.00 C +ATOM 2658 N THR A 336 24.694 26.932 -12.321 1.00 0.28 N +ATOM 2659 CA THR A 336 26.035 27.407 -12.008 1.00 0.28 C +ATOM 2660 C THR A 336 25.882 28.333 -10.798 1.00 0.28 C +ATOM 2661 O THR A 336 24.785 28.379 -10.245 1.00 0.28 O +ATOM 2662 CB THR A 336 26.639 28.160 -13.227 1.00 0.28 C +ATOM 2663 OG1 THR A 336 25.574 28.650 -14.057 1.00 0.28 O +ATOM 2664 CG2 THR A 336 27.548 27.224 -14.052 1.00 0.28 C +ATOM 2665 N VAL A 337 26.935 29.031 -10.364 1.00 0.00 N +ATOM 2666 CA VAL A 337 26.817 29.941 -9.218 1.00 0.00 C +ATOM 2667 C VAL A 337 28.100 30.654 -8.913 1.00 0.00 C +ATOM 2668 O VAL A 337 29.163 30.150 -9.169 1.00 0.00 O +ATOM 2669 CB VAL A 337 26.356 29.219 -7.942 1.00 0.00 C +ATOM 2670 CG1 VAL A 337 26.965 27.842 -7.856 1.00 0.00 C +ATOM 2671 CG2 VAL A 337 26.749 30.034 -6.732 1.00 0.00 C +ATOM 2672 N SER A 338 27.975 31.842 -8.358 1.00 0.00 N +ATOM 2673 CA SER A 338 29.121 32.627 -8.015 1.00 0.00 C +ATOM 2674 C SER A 338 28.666 33.879 -7.334 1.00 0.00 C +ATOM 2675 O SER A 338 27.669 33.861 -6.603 1.00 0.00 O +ATOM 2676 CB SER A 338 29.886 32.983 -9.260 1.00 0.00 C +ATOM 2677 OG SER A 338 29.890 31.886 -10.125 1.00 0.00 O +ATOM 2678 N LYS A 339 29.378 34.974 -7.594 1.00 0.38 N +ATOM 2679 CA LYS A 339 29.087 36.275 -6.979 1.00 0.38 C +ATOM 2680 C LYS A 339 28.468 37.316 -7.975 1.00 0.38 C +ATOM 2681 O LYS A 339 27.272 37.616 -7.842 1.00 0.38 O +ATOM 2682 CB LYS A 339 30.382 36.821 -6.353 1.00 0.38 C +ATOM 2683 CG LYS A 339 30.197 37.906 -5.284 1.00 0.38 C +ATOM 2684 CD LYS A 339 31.536 38.579 -4.950 1.00 0.38 C +ATOM 2685 CE LYS A 339 32.136 39.250 -6.189 1.00 0.38 C +ATOM 2686 NZ LYS A 339 33.504 39.758 -5.943 1.00 0.38 N +ATOM 2687 N THR A 340 29.242 37.855 -8.933 1.00 0.00 N +ATOM 2688 CA THR A 340 28.720 38.859 -9.890 1.00 0.00 C +ATOM 2689 C THR A 340 28.493 38.294 -11.308 1.00 0.00 C +ATOM 2690 O THR A 340 27.836 38.967 -12.141 1.00 0.00 O +ATOM 2691 CB THR A 340 29.668 40.091 -10.015 1.00 0.00 C +ATOM 2692 OG1 THR A 340 29.128 41.025 -10.969 1.00 0.00 O +ATOM 2693 CG2 THR A 340 31.065 39.649 -10.468 1.00 0.00 C ATOM 2694 N GLU A 341 29.021 37.095 -11.584 1.00 0.00 N ATOM 2695 CA GLU A 341 28.869 36.459 -12.904 1.00 0.00 C ATOM 2696 C GLU A 341 27.427 36.009 -13.134 1.00 0.00 C @@ -3376,53 +3376,53 @@ ATOM 2699 CG GLU A 341 29.454 33.984 -12.239 1.00 0.00 C ATOM 2700 CD GLU A 341 29.787 32.683 -12.959 1.00 0.00 C ATOM 2701 OE1 GLU A 341 29.342 32.502 -14.109 1.00 0.00 O ATOM 2702 OE2 GLU A 341 30.488 31.836 -12.380 1.00 0.00 O -ATOM 2703 N THR A 342 27.261 34.708 -13.381 1.00 0.21 N -ATOM 2704 CA THR A 342 25.959 34.127 -13.647 1.00 0.21 C -ATOM 2705 C THR A 342 25.361 33.508 -12.405 1.00 0.21 C -ATOM 2706 O THR A 342 24.849 32.398 -12.462 1.00 0.21 O -ATOM 2707 CB THR A 342 26.054 33.075 -14.756 1.00 0.21 C -ATOM 2708 OG1 THR A 342 24.733 32.751 -15.205 1.00 0.21 O -ATOM 2709 CG2 THR A 342 26.773 31.818 -14.253 1.00 0.21 C -ATOM 2710 N SER A 343 25.429 34.223 -11.285 1.00 0.03 N -ATOM 2711 CA SER A 343 24.839 33.761 -10.030 1.00 0.03 C -ATOM 2712 C SER A 343 23.386 34.238 -10.067 1.00 0.03 C -ATOM 2713 O SER A 343 22.671 34.251 -9.054 1.00 0.03 O -ATOM 2714 CB SER A 343 25.590 34.366 -8.837 1.00 0.03 C -ATOM 2715 OG SER A 343 25.673 33.450 -7.759 1.00 0.03 O -ATOM 2716 N GLN A 344 22.995 34.628 -11.283 1.00 0.68 N -ATOM 2717 CA GLN A 344 21.674 35.126 -11.680 1.00 0.68 C -ATOM 2718 C GLN A 344 20.561 34.171 -11.212 1.00 0.68 C -ATOM 2719 O GLN A 344 20.414 33.099 -11.771 1.00 0.68 O -ATOM 2720 CB GLN A 344 21.679 35.317 -13.235 1.00 0.68 C -ATOM 2721 CG GLN A 344 22.243 34.098 -14.123 1.00 0.68 C -ATOM 2722 CD GLN A 344 22.818 34.489 -15.523 1.00 0.68 C -ATOM 2723 OE1 GLN A 344 23.904 35.031 -15.620 1.00 0.68 O -ATOM 2724 NE2 GLN A 344 22.083 34.199 -16.577 1.00 0.68 N -ATOM 2725 N VAL A 345 19.792 34.554 -10.192 1.00 0.47 N -ATOM 2726 CA VAL A 345 18.710 33.707 -9.658 1.00 0.47 C -ATOM 2727 C VAL A 345 17.825 33.182 -10.774 1.00 0.47 C -ATOM 2728 O VAL A 345 17.412 33.949 -11.632 1.00 0.47 O -ATOM 2729 CB VAL A 345 17.825 34.479 -8.643 1.00 0.47 C -ATOM 2730 CG1 VAL A 345 16.766 33.556 -8.052 1.00 0.47 C -ATOM 2731 CG2 VAL A 345 18.698 35.069 -7.534 1.00 0.47 C -ATOM 2732 N ALA A 346 17.514 31.888 -10.754 1.00 0.21 N -ATOM 2733 CA ALA A 346 16.702 31.296 -11.813 1.00 0.21 C -ATOM 2734 C ALA A 346 15.798 30.182 -11.306 1.00 0.21 C -ATOM 2735 O ALA A 346 15.931 29.045 -11.776 1.00 0.21 O -ATOM 2736 CB ALA A 346 17.613 30.754 -12.905 1.00 0.21 C -ATOM 2737 N PRO A 347 14.880 30.470 -10.353 1.00 0.11 N -ATOM 2738 CA PRO A 347 13.990 29.406 -9.855 1.00 0.11 C -ATOM 2739 C PRO A 347 12.822 29.263 -10.812 1.00 0.11 C -ATOM 2740 O PRO A 347 12.970 28.774 -11.939 1.00 0.11 O -ATOM 2741 CB PRO A 347 13.525 29.932 -8.482 1.00 0.11 C -ATOM 2742 CG PRO A 347 14.470 31.080 -8.159 1.00 0.11 C -ATOM 2743 CD PRO A 347 14.749 31.675 -9.518 1.00 0.11 C -ATOM 2744 N ALA A 348 11.664 29.716 -10.347 1.00 0.05 N -ATOM 2745 CA ALA A 348 10.436 29.683 -11.129 1.00 0.05 C -ATOM 2746 C ALA A 348 9.879 31.115 -11.234 1.00 0.05 C -ATOM 2747 O ALA A 348 10.409 32.002 -10.511 1.00 0.05 O -ATOM 2748 CB ALA A 348 9.412 28.746 -10.453 1.00 0.05 C -ATOM 2749 OXT ALA A 348 8.926 31.344 -12.029 1.00 0.05 O +ATOM 2703 N THR A 342 27.261 34.708 -13.381 1.00 0.00 N +ATOM 2704 CA THR A 342 25.959 34.127 -13.647 1.00 0.00 C +ATOM 2705 C THR A 342 25.361 33.508 -12.405 1.00 0.00 C +ATOM 2706 O THR A 342 24.849 32.398 -12.462 1.00 0.00 O +ATOM 2707 CB THR A 342 26.054 33.075 -14.756 1.00 0.00 C +ATOM 2708 OG1 THR A 342 24.733 32.751 -15.205 1.00 0.00 O +ATOM 2709 CG2 THR A 342 26.773 31.818 -14.253 1.00 0.00 C +ATOM 2710 N SER A 343 25.429 34.223 -11.285 1.00 0.00 N +ATOM 2711 CA SER A 343 24.839 33.761 -10.030 1.00 0.00 C +ATOM 2712 C SER A 343 23.386 34.238 -10.067 1.00 0.00 C +ATOM 2713 O SER A 343 22.671 34.251 -9.054 1.00 0.00 O +ATOM 2714 CB SER A 343 25.590 34.366 -8.837 1.00 0.00 C +ATOM 2715 OG SER A 343 25.673 33.450 -7.759 1.00 0.00 O +ATOM 2716 N GLN A 344 22.995 34.628 -11.283 1.00 0.00 N +ATOM 2717 CA GLN A 344 21.674 35.126 -11.680 1.00 0.00 C +ATOM 2718 C GLN A 344 20.561 34.171 -11.212 1.00 0.00 C +ATOM 2719 O GLN A 344 20.414 33.099 -11.771 1.00 0.00 O +ATOM 2720 CB GLN A 344 21.679 35.317 -13.235 1.00 0.00 C +ATOM 2721 CG GLN A 344 22.243 34.098 -14.123 1.00 0.00 C +ATOM 2722 CD GLN A 344 22.818 34.489 -15.523 1.00 0.00 C +ATOM 2723 OE1 GLN A 344 23.904 35.031 -15.620 1.00 0.00 O +ATOM 2724 NE2 GLN A 344 22.083 34.199 -16.577 1.00 0.00 N +ATOM 2725 N VAL A 345 19.792 34.554 -10.192 1.00 0.00 N +ATOM 2726 CA VAL A 345 18.710 33.707 -9.658 1.00 0.00 C +ATOM 2727 C VAL A 345 17.825 33.182 -10.774 1.00 0.00 C +ATOM 2728 O VAL A 345 17.412 33.949 -11.632 1.00 0.00 O +ATOM 2729 CB VAL A 345 17.825 34.479 -8.643 1.00 0.00 C +ATOM 2730 CG1 VAL A 345 16.766 33.556 -8.052 1.00 0.00 C +ATOM 2731 CG2 VAL A 345 18.698 35.069 -7.534 1.00 0.00 C +ATOM 2732 N ALA A 346 17.514 31.888 -10.754 1.00 0.06 N +ATOM 2733 CA ALA A 346 16.702 31.296 -11.813 1.00 0.06 C +ATOM 2734 C ALA A 346 15.798 30.182 -11.306 1.00 0.06 C +ATOM 2735 O ALA A 346 15.931 29.045 -11.776 1.00 0.06 O +ATOM 2736 CB ALA A 346 17.613 30.754 -12.905 1.00 0.06 C +ATOM 2737 N PRO A 347 14.880 30.470 -10.353 1.00 0.00 N +ATOM 2738 CA PRO A 347 13.990 29.406 -9.855 1.00 0.00 C +ATOM 2739 C PRO A 347 12.822 29.263 -10.812 1.00 0.00 C +ATOM 2740 O PRO A 347 12.970 28.774 -11.939 1.00 0.00 O +ATOM 2741 CB PRO A 347 13.525 29.932 -8.482 1.00 0.00 C +ATOM 2742 CG PRO A 347 14.470 31.080 -8.159 1.00 0.00 C +ATOM 2743 CD PRO A 347 14.749 31.675 -9.518 1.00 0.00 C +ATOM 2744 N ALA A 348 11.664 29.716 -10.347 1.00 0.18 N +ATOM 2745 CA ALA A 348 10.436 29.683 -11.129 1.00 0.18 C +ATOM 2746 C ALA A 348 9.879 31.115 -11.234 1.00 0.18 C +ATOM 2747 O ALA A 348 10.409 32.002 -10.511 1.00 0.18 O +ATOM 2748 CB ALA A 348 9.412 28.746 -10.453 1.00 0.18 C +ATOM 2749 OXT ALA A 348 8.926 31.344 -12.029 1.00 0.18 O TER 2750 ALA A 348 HETATM 2751 C ACE B 0 44.730 -8.996 -33.269 1.00 48.90 C HETATM 2752 O ACE B 0 45.505 -9.527 -32.467 1.00 48.47 O diff --git a/examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/C_phantasticus_LWS1_esmfold_shap_comparison_mapped_seq1.pdb b/examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/C_phantasticus_LWS1_esmfold_shap_comparison_mapped_seq1.pdb new file mode 100644 index 00000000..ea62669a --- /dev/null +++ b/examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/C_phantasticus_LWS1_esmfold_shap_comparison_mapped_seq1.pdb @@ -0,0 +1,2862 @@ +PARENT N/A +ATOM 1 N MET A 1 -54.616 10.735 -26.431 1.00 0.00 N +ATOM 2 CA MET A 1 -53.813 9.544 -26.689 1.00 0.00 C +ATOM 3 C MET A 1 -52.324 9.866 -26.624 1.00 0.00 C +ATOM 4 CB MET A 1 -54.160 8.946 -28.054 1.00 0.00 C +ATOM 5 O MET A 1 -51.731 10.284 -27.620 1.00 0.00 O +ATOM 6 CG MET A 1 -55.543 8.319 -28.115 1.00 0.00 C +ATOM 7 SD MET A 1 -55.869 7.491 -29.720 1.00 0.00 S +ATOM 8 CE MET A 1 -57.119 8.611 -30.410 1.00 0.00 C +ATOM 9 N ALA A 2 -51.784 10.308 -25.501 1.00 0.00 N +ATOM 10 CA ALA A 2 -50.354 10.321 -25.202 1.00 0.00 C +ATOM 11 C ALA A 2 -49.838 8.911 -24.925 1.00 0.00 C +ATOM 12 CB ALA A 2 -50.067 11.233 -24.011 1.00 0.00 C +ATOM 13 O ALA A 2 -49.922 8.424 -23.795 1.00 0.00 O +ATOM 14 N GLU A 3 -49.811 8.002 -25.944 1.00 0.00 N +ATOM 15 CA GLU A 3 -48.977 6.806 -25.882 1.00 0.00 C +ATOM 16 C GLU A 3 -47.696 7.066 -25.094 1.00 0.00 C +ATOM 17 CB GLU A 3 -48.637 6.314 -27.291 1.00 0.00 C +ATOM 18 O GLU A 3 -46.970 8.021 -25.378 1.00 0.00 O +ATOM 19 CG GLU A 3 -49.663 5.351 -27.871 1.00 0.00 C +ATOM 20 CD GLU A 3 -49.370 4.956 -29.309 1.00 0.00 C +ATOM 21 OE1 GLU A 3 -48.648 5.703 -30.009 1.00 0.00 O +ATOM 22 OE2 GLU A 3 -49.867 3.892 -29.741 1.00 0.00 O +ATOM 23 N ASP A 4 -47.468 6.476 -23.933 1.00 0.00 N +ATOM 24 CA ASP A 4 -46.304 6.435 -23.054 1.00 0.00 C +ATOM 25 C ASP A 4 -45.018 6.239 -23.854 1.00 0.00 C +ATOM 26 CB ASP A 4 -46.453 5.320 -22.017 1.00 0.00 C +ATOM 27 O ASP A 4 -44.572 5.108 -24.055 1.00 0.00 O +ATOM 28 CG ASP A 4 -45.561 5.515 -20.804 1.00 0.00 C +ATOM 29 OD1 ASP A 4 -44.850 6.541 -20.728 1.00 0.00 O +ATOM 30 OD2 ASP A 4 -45.567 4.635 -19.916 1.00 0.00 O +ATOM 31 N TRP A 5 -44.668 7.220 -24.651 1.00 0.00 N +ATOM 32 CA TRP A 5 -43.421 7.260 -25.409 1.00 0.00 C +ATOM 33 C TRP A 5 -42.269 6.687 -24.591 1.00 0.00 C +ATOM 34 CB TRP A 5 -43.097 8.694 -25.837 1.00 0.00 C +ATOM 35 O TRP A 5 -41.333 6.106 -25.147 1.00 0.00 O +ATOM 36 CG TRP A 5 -43.785 9.124 -27.097 1.00 0.00 C +ATOM 37 CD1 TRP A 5 -44.993 9.757 -27.203 1.00 0.00 C +ATOM 38 CD2 TRP A 5 -43.307 8.947 -28.434 1.00 0.00 C +ATOM 39 CE2 TRP A 5 -44.276 9.498 -29.301 1.00 0.00 C +ATOM 40 CE3 TRP A 5 -42.151 8.377 -28.984 1.00 0.00 C +ATOM 41 NE1 TRP A 5 -45.294 9.985 -28.526 1.00 0.00 N +ATOM 42 CH2 TRP A 5 -42.984 8.931 -31.201 1.00 0.00 C +ATOM 43 CZ2 TRP A 5 -44.124 9.495 -30.690 1.00 0.00 C +ATOM 44 CZ3 TRP A 5 -42.001 8.375 -30.366 1.00 0.00 C +ATOM 45 N GLY A 6 -42.282 6.803 -23.260 1.00 0.00 N +ATOM 46 CA GLY A 6 -41.268 6.280 -22.359 1.00 0.00 C +ATOM 47 C GLY A 6 -41.126 4.771 -22.431 1.00 0.00 C +ATOM 48 O GLY A 6 -40.011 4.249 -22.491 1.00 0.00 O +ATOM 49 N SER A 7 -42.223 4.070 -22.494 1.00 0.00 N +ATOM 50 CA SER A 7 -42.217 2.611 -22.515 1.00 0.00 C +ATOM 51 C SER A 7 -41.644 2.079 -23.825 1.00 0.00 C +ATOM 52 CB SER A 7 -43.631 2.066 -22.309 1.00 0.00 C +ATOM 53 O SER A 7 -40.880 1.112 -23.826 1.00 0.00 O +ATOM 54 OG SER A 7 -44.466 2.407 -23.403 1.00 0.00 O +ATOM 55 N VAL A 8 -41.947 2.820 -24.955 1.00 0.00 N +ATOM 56 CA VAL A 8 -41.454 2.409 -26.266 1.00 0.00 C +ATOM 57 C VAL A 8 -39.938 2.579 -26.325 1.00 0.00 C +ATOM 58 CB VAL A 8 -42.125 3.213 -27.402 1.00 0.00 C +ATOM 59 O VAL A 8 -39.224 1.682 -26.778 1.00 0.00 O +ATOM 60 CG1 VAL A 8 -41.508 2.856 -28.753 1.00 0.00 C +ATOM 61 CG2 VAL A 8 -43.632 2.960 -27.416 1.00 0.00 C +ATOM 62 N VAL A 9 -39.446 3.728 -25.779 1.00 0.00 N +ATOM 63 CA VAL A 9 -38.007 3.972 -25.796 1.00 0.00 C +ATOM 64 C VAL A 9 -37.303 2.972 -24.882 1.00 0.00 C +ATOM 65 CB VAL A 9 -37.671 5.417 -25.364 1.00 0.00 C +ATOM 66 O VAL A 9 -36.248 2.437 -25.232 1.00 0.00 O +ATOM 67 CG1 VAL A 9 -36.164 5.591 -25.188 1.00 0.00 C +ATOM 68 CG2 VAL A 9 -38.212 6.417 -26.384 1.00 0.00 C +ATOM 69 N PHE A 10 -37.888 2.619 -23.765 1.00 0.00 N +ATOM 70 CA PHE A 10 -37.292 1.668 -22.835 1.00 0.00 C +ATOM 71 C PHE A 10 -37.298 0.261 -23.421 1.00 0.00 C +ATOM 72 CB PHE A 10 -38.038 1.682 -21.497 1.00 0.00 C +ATOM 73 O PHE A 10 -36.316 -0.474 -23.295 1.00 0.00 O +ATOM 74 CG PHE A 10 -37.148 1.467 -20.303 1.00 0.00 C +ATOM 75 CD1 PHE A 10 -36.970 0.195 -19.772 1.00 0.00 C +ATOM 76 CD2 PHE A 10 -36.489 2.537 -19.711 1.00 0.00 C +ATOM 77 CE1 PHE A 10 -36.146 -0.007 -18.667 1.00 0.00 C +ATOM 78 CE2 PHE A 10 -35.665 2.342 -18.606 1.00 0.00 C +ATOM 79 CZ PHE A 10 -35.496 1.070 -18.085 1.00 0.00 C +ATOM 80 N ALA A 11 -38.353 -0.127 -24.095 1.00 3.58 N +ATOM 81 CA ALA A 11 -38.444 -1.440 -24.729 1.00 3.58 C +ATOM 82 C ALA A 11 -37.462 -1.557 -25.892 1.00 3.58 C +ATOM 83 CB ALA A 11 -39.869 -1.699 -25.213 1.00 3.58 C +ATOM 84 O ALA A 11 -36.812 -2.591 -26.062 1.00 3.58 O +ATOM 85 N ALA A 12 -37.316 -0.477 -26.752 1.00 0.00 N +ATOM 86 CA ALA A 12 -36.344 -0.457 -27.841 1.00 0.00 C +ATOM 87 C ALA A 12 -34.918 -0.556 -27.305 1.00 0.00 C +ATOM 88 CB ALA A 12 -36.508 0.808 -28.679 1.00 0.00 C +ATOM 89 O ALA A 12 -34.108 -1.333 -27.817 1.00 0.00 O +ATOM 90 N ARG A 13 -34.599 0.218 -26.193 1.00 0.00 N +ATOM 91 CA ARG A 13 -33.274 0.118 -25.588 1.00 0.00 C +ATOM 92 C ARG A 13 -33.023 -1.286 -25.048 1.00 0.00 C +ATOM 93 CB ARG A 13 -33.117 1.146 -24.465 1.00 0.00 C +ATOM 94 O ARG A 13 -31.973 -1.878 -25.308 1.00 0.00 O +ATOM 95 CG ARG A 13 -31.678 1.358 -24.022 1.00 0.00 C +ATOM 96 CD ARG A 13 -31.559 2.500 -23.022 1.00 0.00 C +ATOM 97 NE ARG A 13 -30.172 2.726 -22.626 1.00 0.00 N +ATOM 98 NH1 ARG A 13 -30.645 4.500 -21.223 1.00 0.00 N +ATOM 99 NH2 ARG A 13 -28.482 3.789 -21.489 1.00 0.00 N +ATOM 100 CZ ARG A 13 -29.770 3.671 -21.780 1.00 0.00 C +ATOM 101 N ARG A 14 -34.010 -1.909 -24.381 1.00 0.00 N +ATOM 102 CA ARG A 14 -33.824 -3.255 -23.849 1.00 0.00 C +ATOM 103 C ARG A 14 -33.621 -4.265 -24.974 1.00 0.00 C +ATOM 104 CB ARG A 14 -35.021 -3.664 -22.987 1.00 0.00 C +ATOM 105 O ARG A 14 -32.799 -5.176 -24.856 1.00 0.00 O +ATOM 106 CG ARG A 14 -34.669 -4.617 -21.857 1.00 0.00 C +ATOM 107 CD ARG A 14 -35.873 -4.913 -20.974 1.00 0.00 C +ATOM 108 NE ARG A 14 -35.527 -5.811 -19.875 1.00 0.00 N +ATOM 109 NH1 ARG A 14 -37.639 -5.814 -18.940 1.00 0.00 N +ATOM 110 NH2 ARG A 14 -35.954 -7.037 -17.980 1.00 0.00 N +ATOM 111 CZ ARG A 14 -36.374 -6.219 -18.934 1.00 0.00 C +ATOM 112 N ARG A 15 -34.339 -4.159 -26.114 1.00 0.00 N +ATOM 113 CA ARG A 15 -34.163 -5.065 -27.244 1.00 0.00 C +ATOM 114 C ARG A 15 -32.773 -4.918 -27.853 1.00 0.00 C +ATOM 115 CB ARG A 15 -35.232 -4.810 -28.309 1.00 0.00 C +ATOM 116 O ARG A 15 -32.113 -5.915 -28.155 1.00 0.00 O +ATOM 117 CG ARG A 15 -35.517 -6.012 -29.196 1.00 0.00 C +ATOM 118 CD ARG A 15 -36.646 -5.733 -30.178 1.00 0.00 C +ATOM 119 NE ARG A 15 -37.257 -6.967 -30.662 1.00 0.00 N +ATOM 120 NH1 ARG A 15 -38.813 -5.914 -32.007 1.00 0.00 N +ATOM 121 NH2 ARG A 15 -38.752 -8.202 -31.893 1.00 0.00 N +ATOM 122 CZ ARG A 15 -38.272 -7.025 -31.520 1.00 0.00 C +ATOM 123 N ASN A 16 -32.275 -3.677 -28.024 1.00 0.00 N +ATOM 124 CA ASN A 16 -30.927 -3.476 -28.546 1.00 0.00 C +ATOM 125 C ASN A 16 -29.869 -4.013 -27.587 1.00 0.00 C +ATOM 126 CB ASN A 16 -30.679 -1.994 -28.835 1.00 0.00 C +ATOM 127 O ASN A 16 -28.864 -4.581 -28.019 1.00 0.00 O +ATOM 128 CG ASN A 16 -31.321 -1.536 -30.130 1.00 0.00 C +ATOM 129 ND2 ASN A 16 -31.207 -0.247 -30.425 1.00 0.00 N +ATOM 130 OD1 ASN A 16 -31.915 -2.335 -30.859 1.00 0.00 O +ATOM 131 N GLU A 17 -30.119 -3.838 -26.215 1.00 0.00 N +ATOM 132 CA GLU A 17 -29.200 -4.399 -25.230 1.00 0.00 C +ATOM 133 C GLU A 17 -29.243 -5.925 -25.241 1.00 0.00 C +ATOM 134 CB GLU A 17 -29.525 -3.873 -23.830 1.00 0.00 C +ATOM 135 O GLU A 17 -28.204 -6.581 -25.149 1.00 0.00 O +ATOM 136 CG GLU A 17 -29.033 -2.456 -23.575 1.00 0.00 C +ATOM 137 CD GLU A 17 -29.511 -1.884 -22.250 1.00 0.00 C +ATOM 138 OE1 GLU A 17 -30.241 -2.586 -21.514 1.00 0.00 O +ATOM 139 OE2 GLU A 17 -29.152 -0.725 -21.946 1.00 0.00 O +ATOM 140 N GLU A 18 -30.480 -6.565 -25.386 1.00 0.00 N +ATOM 141 CA GLU A 18 -30.604 -8.017 -25.463 1.00 0.00 C +ATOM 142 C GLU A 18 -30.002 -8.555 -26.757 1.00 0.00 C +ATOM 143 CB GLU A 18 -32.072 -8.439 -25.351 1.00 0.00 C +ATOM 144 O GLU A 18 -29.342 -9.597 -26.755 1.00 0.00 O +ATOM 145 CG GLU A 18 -32.608 -8.428 -23.927 1.00 0.00 C +ATOM 146 CD GLU A 18 -34.070 -8.834 -23.833 1.00 0.00 C +ATOM 147 OE1 GLU A 18 -34.693 -9.106 -24.884 1.00 0.00 O +ATOM 148 OE2 GLU A 18 -34.597 -8.880 -22.699 1.00 0.00 O +ATOM 149 N GLU A 19 -30.241 -7.868 -27.982 1.00 0.00 N +ATOM 150 CA GLU A 19 -29.650 -8.268 -29.256 1.00 0.00 C +ATOM 151 C GLU A 19 -28.131 -8.127 -29.228 1.00 0.00 C +ATOM 152 CB GLU A 19 -30.235 -7.442 -30.404 1.00 0.00 C +ATOM 153 O GLU A 19 -27.409 -9.070 -29.559 1.00 0.00 O +ATOM 154 CG GLU A 19 -31.487 -8.047 -31.022 1.00 0.00 C +ATOM 155 CD GLU A 19 -32.135 -7.150 -32.065 1.00 0.00 C +ATOM 156 OE1 GLU A 19 -31.684 -5.994 -32.236 1.00 0.00 O +ATOM 157 OE2 GLU A 19 -33.101 -7.606 -32.716 1.00 0.00 O +ATOM 158 N THR A 20 -27.562 -6.979 -28.645 1.00 0.00 N +ATOM 159 CA THR A 20 -26.125 -6.765 -28.515 1.00 0.00 C +ATOM 160 C THR A 20 -25.509 -7.787 -27.564 1.00 0.00 C +ATOM 161 CB THR A 20 -25.815 -5.342 -28.014 1.00 0.00 C +ATOM 162 O THR A 20 -24.412 -8.291 -27.811 1.00 0.00 O +ATOM 163 CG2 THR A 20 -24.825 -4.638 -28.937 1.00 0.00 C +ATOM 164 OG1 THR A 20 -27.030 -4.583 -27.967 1.00 0.00 O +ATOM 165 N THR A 21 -26.201 -8.083 -26.447 1.00 0.00 N +ATOM 166 CA THR A 21 -25.734 -9.109 -25.521 1.00 0.00 C +ATOM 167 C THR A 21 -25.778 -10.487 -26.175 1.00 0.00 C +ATOM 168 CB THR A 21 -26.575 -9.123 -24.231 1.00 0.00 C +ATOM 169 O THR A 21 -24.864 -11.295 -25.994 1.00 0.00 O +ATOM 170 CG2 THR A 21 -25.875 -9.909 -23.127 1.00 0.00 C +ATOM 171 OG1 THR A 21 -26.779 -7.776 -23.787 1.00 0.00 O +ATOM 172 N ARG A 22 -26.842 -10.832 -26.893 1.00 0.00 N +ATOM 173 CA ARG A 22 -26.938 -12.107 -27.596 1.00 0.00 C +ATOM 174 C ARG A 22 -25.877 -12.213 -28.686 1.00 0.00 C +ATOM 175 CB ARG A 22 -28.332 -12.282 -28.203 1.00 0.00 C +ATOM 176 O ARG A 22 -25.216 -13.245 -28.818 1.00 0.00 O +ATOM 177 CG ARG A 22 -29.362 -12.836 -27.231 1.00 0.00 C +ATOM 178 CD ARG A 22 -30.722 -13.015 -27.891 1.00 0.00 C +ATOM 179 NE ARG A 22 -31.706 -13.559 -26.960 1.00 0.00 N +ATOM 180 NH1 ARG A 22 -33.317 -13.951 -28.568 1.00 0.00 N +ATOM 181 NH2 ARG A 22 -33.732 -14.468 -26.374 1.00 0.00 N +ATOM 182 CZ ARG A 22 -32.916 -13.992 -27.303 1.00 0.00 C +ATOM 183 N GLU A 23 -25.684 -11.128 -29.519 1.00 2.59 N +ATOM 184 CA GLU A 23 -24.632 -11.115 -30.530 1.00 2.59 C +ATOM 185 C GLU A 23 -23.250 -11.209 -29.890 1.00 2.59 C +ATOM 186 CB GLU A 23 -24.728 -9.852 -31.391 1.00 2.59 C +ATOM 187 O GLU A 23 -22.390 -11.955 -30.363 1.00 2.59 O +ATOM 188 CG GLU A 23 -25.603 -10.014 -32.625 1.00 2.59 C +ATOM 189 CD GLU A 23 -25.596 -8.793 -33.530 1.00 2.59 C +ATOM 190 OE1 GLU A 23 -25.191 -7.700 -33.072 1.00 2.59 O +ATOM 191 OE2 GLU A 23 -25.999 -8.929 -34.707 1.00 2.59 O +ATOM 192 N SER A 24 -23.046 -10.537 -28.749 1.00 0.00 N +ATOM 193 CA SER A 24 -21.757 -10.597 -28.067 1.00 0.00 C +ATOM 194 C SER A 24 -21.491 -11.990 -27.508 1.00 0.00 C +ATOM 195 CB SER A 24 -21.698 -9.566 -26.939 1.00 0.00 C +ATOM 196 O SER A 24 -20.371 -12.497 -27.598 1.00 0.00 O +ATOM 197 OG SER A 24 -22.708 -9.816 -25.977 1.00 0.00 O +ATOM 198 N ILE A 25 -22.496 -12.605 -26.880 1.00 0.00 N +ATOM 199 CA ILE A 25 -22.350 -13.968 -26.380 1.00 0.00 C +ATOM 200 C ILE A 25 -22.241 -14.939 -27.553 1.00 0.00 C +ATOM 201 CB ILE A 25 -23.531 -14.363 -25.464 1.00 0.00 C +ATOM 202 O ILE A 25 -21.452 -15.886 -27.512 1.00 0.00 O +ATOM 203 CG1 ILE A 25 -23.480 -13.568 -24.154 1.00 0.00 C +ATOM 204 CG2 ILE A 25 -23.522 -15.870 -25.192 1.00 0.00 C +ATOM 205 CD1 ILE A 25 -24.736 -13.697 -23.303 1.00 0.00 C +ATOM 206 N PHE A 26 -23.009 -14.777 -28.631 1.00 0.00 N +ATOM 207 CA PHE A 26 -23.041 -15.670 -29.783 1.00 0.00 C +ATOM 208 C PHE A 26 -21.737 -15.586 -30.569 1.00 0.00 C +ATOM 209 CB PHE A 26 -24.225 -15.332 -30.694 1.00 0.00 C +ATOM 210 O PHE A 26 -21.234 -16.601 -31.056 1.00 0.00 O +ATOM 211 CG PHE A 26 -25.008 -16.536 -31.144 1.00 0.00 C +ATOM 212 CD1 PHE A 26 -24.679 -17.196 -32.321 1.00 0.00 C +ATOM 213 CD2 PHE A 26 -26.073 -17.008 -30.388 1.00 0.00 C +ATOM 214 CE1 PHE A 26 -25.402 -18.311 -32.740 1.00 0.00 C +ATOM 215 CE2 PHE A 26 -26.800 -18.122 -30.800 1.00 0.00 C +ATOM 216 CZ PHE A 26 -26.463 -18.771 -31.977 1.00 0.00 C +ATOM 217 N VAL A 27 -21.151 -14.328 -30.767 1.00 0.42 N +ATOM 218 CA VAL A 27 -19.859 -14.182 -31.430 1.00 0.42 C +ATOM 219 C VAL A 27 -18.803 -15.001 -30.692 1.00 0.42 C +ATOM 220 CB VAL A 27 -19.427 -12.701 -31.509 1.00 0.42 C +ATOM 221 O VAL A 27 -17.902 -15.569 -31.314 1.00 0.42 O +ATOM 222 CG1 VAL A 27 -18.040 -12.576 -32.139 1.00 0.42 C +ATOM 223 CG2 VAL A 27 -20.451 -11.888 -32.299 1.00 0.42 C +ATOM 224 N TYR A 28 -19.050 -15.313 -29.415 1.00 0.00 N +ATOM 225 CA TYR A 28 -18.059 -16.093 -28.682 1.00 0.00 C +ATOM 226 C TYR A 28 -18.350 -17.585 -28.791 1.00 0.00 C +ATOM 227 CB TYR A 28 -18.027 -15.673 -27.209 1.00 0.00 C +ATOM 228 O TYR A 28 -17.441 -18.411 -28.684 1.00 0.00 O +ATOM 229 CG TYR A 28 -16.979 -14.633 -26.897 1.00 0.00 C +ATOM 230 CD1 TYR A 28 -15.654 -14.998 -26.667 1.00 0.00 C +ATOM 231 CD2 TYR A 28 -17.311 -13.284 -26.831 1.00 0.00 C +ATOM 232 CE1 TYR A 28 -14.685 -14.043 -26.377 1.00 0.00 C +ATOM 233 CE2 TYR A 28 -16.350 -12.321 -26.541 1.00 0.00 C +ATOM 234 OH TYR A 28 -14.087 -11.760 -26.030 1.00 0.00 O +ATOM 235 CZ TYR A 28 -15.042 -12.709 -26.317 1.00 0.00 C +ATOM 236 N THR A 29 -19.619 -18.020 -28.994 1.00 0.00 N +ATOM 237 CA THR A 29 -19.905 -19.446 -28.886 1.00 0.00 C +ATOM 238 C THR A 29 -19.938 -20.097 -30.266 1.00 0.00 C +ATOM 239 CB THR A 29 -21.243 -19.695 -28.167 1.00 0.00 C +ATOM 240 O THR A 29 -19.734 -21.307 -30.393 1.00 0.00 O +ATOM 241 CG2 THR A 29 -21.132 -19.391 -26.676 1.00 0.00 C +ATOM 242 OG1 THR A 29 -22.252 -18.854 -28.741 1.00 0.00 O +ATOM 243 N ASN A 30 -20.112 -19.250 -31.355 1.00 0.00 N +ATOM 244 CA ASN A 30 -20.483 -19.952 -32.580 1.00 0.00 C +ATOM 245 C ASN A 30 -19.466 -19.713 -33.692 1.00 0.00 C +ATOM 246 CB ASN A 30 -21.880 -19.529 -33.038 1.00 0.00 C +ATOM 247 O ASN A 30 -19.702 -20.080 -34.844 1.00 0.00 O +ATOM 248 CG ASN A 30 -22.701 -20.693 -33.557 1.00 0.00 C +ATOM 249 ND2 ASN A 30 -23.935 -20.415 -33.960 1.00 0.00 N +ATOM 250 OD1 ASN A 30 -22.231 -21.833 -33.593 1.00 0.00 O +ATOM 251 N SER A 31 -18.237 -18.993 -33.280 1.00 0.00 N +ATOM 252 CA SER A 31 -17.155 -18.897 -34.255 1.00 0.00 C +ATOM 253 C SER A 31 -16.293 -20.155 -34.250 1.00 0.00 C +ATOM 254 CB SER A 31 -16.285 -17.671 -33.973 1.00 0.00 C +ATOM 255 O SER A 31 -15.492 -20.361 -33.336 1.00 0.00 O +ATOM 256 OG SER A 31 -14.927 -17.939 -34.273 1.00 0.00 O +ATOM 257 N ASN A 32 -16.756 -21.237 -34.708 1.00 0.00 N +ATOM 258 CA ASN A 32 -15.816 -22.213 -35.248 1.00 0.00 C +ATOM 259 C ASN A 32 -14.684 -21.537 -36.015 1.00 0.00 C +ATOM 260 CB ASN A 32 -16.541 -23.217 -36.146 1.00 0.00 C +ATOM 261 O ASN A 32 -13.787 -22.209 -36.527 1.00 0.00 O +ATOM 262 CG ASN A 32 -17.326 -24.247 -35.357 1.00 0.00 C +ATOM 263 ND2 ASN A 32 -18.226 -24.951 -36.033 1.00 0.00 N +ATOM 264 OD1 ASN A 32 -17.125 -24.407 -34.151 1.00 0.00 O +ATOM 265 N ASN A 33 -14.542 -20.203 -36.164 1.00 0.00 N +ATOM 266 CA ASN A 33 -13.351 -19.384 -36.368 1.00 0.00 C +ATOM 267 C ASN A 33 -12.758 -18.918 -35.041 1.00 0.00 C +ATOM 268 CB ASN A 33 -13.673 -18.182 -37.257 1.00 0.00 C +ATOM 269 O ASN A 33 -13.011 -17.795 -34.604 1.00 0.00 O +ATOM 270 CG ASN A 33 -13.469 -18.474 -38.731 1.00 0.00 C +ATOM 271 ND2 ASN A 33 -14.084 -17.667 -39.586 1.00 0.00 N +ATOM 272 OD1 ASN A 33 -12.765 -19.419 -39.097 1.00 0.00 O +ATOM 273 N THR A 34 -12.445 -19.844 -34.172 1.00 0.00 N +ATOM 274 CA THR A 34 -11.582 -19.663 -33.010 1.00 0.00 C +ATOM 275 C THR A 34 -10.474 -18.658 -33.311 1.00 0.00 C +ATOM 276 CB THR A 34 -10.959 -20.999 -32.564 1.00 0.00 C +ATOM 277 O THR A 34 -9.289 -18.975 -33.185 1.00 0.00 O +ATOM 278 CG2 THR A 34 -12.007 -21.912 -31.937 1.00 0.00 C +ATOM 279 OG1 THR A 34 -10.388 -21.657 -33.702 1.00 0.00 O +ATOM 280 N ARG A 35 -10.580 -17.717 -34.291 1.00 0.00 N +ATOM 281 CA ARG A 35 -9.571 -16.675 -34.135 1.00 0.00 C +ATOM 282 C ARG A 35 -9.693 -15.994 -32.776 1.00 0.00 C +ATOM 283 CB ARG A 35 -9.691 -15.638 -35.254 1.00 0.00 C +ATOM 284 O ARG A 35 -10.654 -15.262 -32.527 1.00 0.00 O +ATOM 285 CG ARG A 35 -9.190 -16.127 -36.603 1.00 0.00 C +ATOM 286 CD ARG A 35 -9.290 -15.044 -37.668 1.00 0.00 C +ATOM 287 NE ARG A 35 -8.803 -15.514 -38.962 1.00 0.00 N +ATOM 288 NH1 ARG A 35 -9.353 -13.582 -40.103 1.00 0.00 N +ATOM 289 NH2 ARG A 35 -8.373 -15.333 -41.211 1.00 0.00 N +ATOM 290 CZ ARG A 35 -8.844 -14.809 -40.089 1.00 0.00 C +ATOM 291 N ASP A 36 -8.945 -16.400 -31.769 1.00 0.00 N +ATOM 292 CA ASP A 36 -8.785 -15.697 -30.500 1.00 0.00 C +ATOM 293 C ASP A 36 -8.844 -14.184 -30.698 1.00 0.00 C +ATOM 294 CB ASP A 36 -7.465 -16.090 -29.832 1.00 0.00 C +ATOM 295 O ASP A 36 -8.155 -13.639 -31.563 1.00 0.00 O +ATOM 296 CG ASP A 36 -7.492 -15.922 -28.322 1.00 0.00 C +ATOM 297 OD1 ASP A 36 -8.242 -15.059 -27.818 1.00 0.00 O +ATOM 298 OD2 ASP A 36 -6.754 -16.658 -27.632 1.00 0.00 O +ATOM 299 N PRO A 37 -9.928 -13.374 -30.206 1.00 0.00 N +ATOM 300 CA PRO A 37 -9.911 -11.918 -30.357 1.00 0.00 C +ATOM 301 C PRO A 37 -8.511 -11.325 -30.212 1.00 0.00 C +ATOM 302 CB PRO A 37 -10.827 -11.435 -29.230 1.00 0.00 C +ATOM 303 O PRO A 37 -8.280 -10.176 -30.597 1.00 0.00 O +ATOM 304 CG PRO A 37 -10.822 -12.547 -28.231 1.00 0.00 C +ATOM 305 CD PRO A 37 -10.590 -13.840 -28.958 1.00 0.00 C +ATOM 306 N PHE A 38 -7.558 -12.157 -29.877 1.00 0.00 N +ATOM 307 CA PHE A 38 -6.156 -11.786 -29.728 1.00 0.00 C +ATOM 308 C PHE A 38 -5.340 -12.260 -30.926 1.00 0.00 C +ATOM 309 CB PHE A 38 -5.578 -12.369 -28.435 1.00 0.00 C +ATOM 310 O PHE A 38 -4.138 -12.000 -31.007 1.00 0.00 O +ATOM 311 CG PHE A 38 -6.251 -11.864 -27.188 1.00 0.00 C +ATOM 312 CD1 PHE A 38 -6.024 -10.570 -26.734 1.00 0.00 C +ATOM 313 CD2 PHE A 38 -7.110 -12.684 -26.468 1.00 0.00 C +ATOM 314 CE1 PHE A 38 -6.646 -10.100 -25.580 1.00 0.00 C +ATOM 315 CE2 PHE A 38 -7.735 -12.221 -25.313 1.00 0.00 C +ATOM 316 CZ PHE A 38 -7.501 -10.929 -24.870 1.00 0.00 C +ATOM 317 N ASP A 39 -5.777 -12.942 -31.864 1.00 0.00 N +ATOM 318 CA ASP A 39 -5.054 -13.343 -33.067 1.00 0.00 C +ATOM 319 C ASP A 39 -4.951 -12.186 -34.057 1.00 0.00 C +ATOM 320 CB ASP A 39 -5.735 -14.543 -33.728 1.00 0.00 C +ATOM 321 O ASP A 39 -4.717 -12.400 -35.249 1.00 0.00 O +ATOM 322 CG ASP A 39 -5.300 -15.872 -33.136 1.00 0.00 C +ATOM 323 OD1 ASP A 39 -4.247 -15.926 -32.466 1.00 0.00 O +ATOM 324 OD2 ASP A 39 -6.016 -16.876 -33.345 1.00 0.00 O +ATOM 325 N GLY A 40 -5.316 -11.013 -33.608 1.00 0.00 N +ATOM 326 CA GLY A 40 -5.025 -9.837 -34.413 1.00 0.00 C +ATOM 327 C GLY A 40 -3.542 -9.638 -34.664 1.00 0.00 C +ATOM 328 O GLY A 40 -2.721 -9.865 -33.773 1.00 0.00 O +ATOM 329 N PRO A 41 -3.071 -9.383 -35.853 1.00 0.00 N +ATOM 330 CA PRO A 41 -1.646 -9.323 -36.186 1.00 0.00 C +ATOM 331 C PRO A 41 -0.861 -8.402 -35.255 1.00 0.00 C +ATOM 332 CB PRO A 41 -1.641 -8.783 -37.619 1.00 0.00 C +ATOM 333 O PRO A 41 0.367 -8.332 -35.340 1.00 0.00 O +ATOM 334 CG PRO A 41 -2.928 -8.034 -37.749 1.00 0.00 C +ATOM 335 CD PRO A 41 -3.954 -8.692 -36.873 1.00 0.00 C +ATOM 336 N ASN A 42 -1.572 -7.773 -34.427 1.00 0.00 N +ATOM 337 CA ASN A 42 -0.898 -6.735 -33.655 1.00 0.00 C +ATOM 338 C ASN A 42 -0.651 -7.178 -32.216 1.00 0.00 C +ATOM 339 CB ASN A 42 -1.708 -5.437 -33.680 1.00 0.00 C +ATOM 340 O ASN A 42 0.024 -6.482 -31.456 1.00 0.00 O +ATOM 341 CG ASN A 42 -1.721 -4.782 -35.047 1.00 0.00 C +ATOM 342 ND2 ASN A 42 -2.792 -4.056 -35.347 1.00 0.00 N +ATOM 343 OD1 ASN A 42 -0.778 -4.929 -35.828 1.00 0.00 O +ATOM 344 N TYR A 43 -1.184 -8.312 -31.751 1.00 0.00 N +ATOM 345 CA TYR A 43 -0.796 -8.855 -30.453 1.00 0.00 C +ATOM 346 C TYR A 43 0.436 -9.742 -30.580 1.00 0.00 C +ATOM 347 CB TYR A 43 -1.951 -9.650 -29.836 1.00 0.00 C +ATOM 348 O TYR A 43 0.320 -10.967 -30.672 1.00 0.00 O +ATOM 349 CG TYR A 43 -3.051 -8.784 -29.272 1.00 0.00 C +ATOM 350 CD1 TYR A 43 -2.964 -8.266 -27.981 1.00 0.00 C +ATOM 351 CD2 TYR A 43 -4.178 -8.481 -30.027 1.00 0.00 C +ATOM 352 CE1 TYR A 43 -3.976 -7.469 -27.457 1.00 0.00 C +ATOM 353 CE2 TYR A 43 -5.197 -7.685 -29.513 1.00 0.00 C +ATOM 354 OH TYR A 43 -6.091 -6.396 -27.714 1.00 0.00 O +ATOM 355 CZ TYR A 43 -5.086 -7.184 -28.229 1.00 0.00 C +ATOM 356 N HIS A 44 1.547 -9.065 -30.769 1.00 12.43 N +ATOM 357 CA HIS A 44 2.783 -9.808 -30.550 1.00 12.43 C +ATOM 358 C HIS A 44 2.735 -10.583 -29.238 1.00 12.43 C +ATOM 359 CB HIS A 44 3.985 -8.862 -30.558 1.00 12.43 C +ATOM 360 O HIS A 44 2.936 -10.009 -28.165 1.00 12.43 O +ATOM 361 CG HIS A 44 4.254 -8.243 -31.893 1.00 12.43 C +ATOM 362 CD2 HIS A 44 4.105 -6.970 -32.329 1.00 12.43 C +ATOM 363 ND1 HIS A 44 4.735 -8.965 -32.963 1.00 12.43 N +ATOM 364 CE1 HIS A 44 4.872 -8.159 -34.004 1.00 12.43 C +ATOM 365 NE2 HIS A 44 4.496 -6.944 -33.645 1.00 12.43 N +ATOM 366 N ILE A 45 2.491 -11.809 -29.347 1.00 0.00 N +ATOM 367 CA ILE A 45 2.647 -12.704 -28.205 1.00 0.00 C +ATOM 368 C ILE A 45 4.050 -12.555 -27.621 1.00 0.00 C +ATOM 369 CB ILE A 45 2.384 -14.175 -28.600 1.00 0.00 C +ATOM 370 O ILE A 45 5.044 -12.830 -28.298 1.00 0.00 O +ATOM 371 CG1 ILE A 45 0.991 -14.320 -29.223 1.00 0.00 C +ATOM 372 CG2 ILE A 45 2.540 -15.095 -27.386 1.00 0.00 C +ATOM 373 CD1 ILE A 45 0.711 -15.701 -29.798 1.00 0.00 C +ATOM 374 N ALA A 46 4.090 -11.745 -26.555 1.00 0.00 N +ATOM 375 CA ALA A 46 5.369 -11.774 -25.852 1.00 0.00 C +ATOM 376 C ALA A 46 5.967 -13.178 -25.858 1.00 0.00 C +ATOM 377 CB ALA A 46 5.200 -11.279 -24.418 1.00 0.00 C +ATOM 378 O ALA A 46 5.243 -14.168 -25.727 1.00 0.00 O +ATOM 379 N PRO A 47 7.249 -13.383 -26.173 1.00 0.00 N +ATOM 380 CA PRO A 47 7.875 -14.705 -26.097 1.00 0.00 C +ATOM 381 C PRO A 47 7.585 -15.421 -24.780 1.00 0.00 C +ATOM 382 CB PRO A 47 9.368 -14.397 -26.234 1.00 0.00 C +ATOM 383 O PRO A 47 7.561 -14.788 -23.721 1.00 0.00 O +ATOM 384 CG PRO A 47 9.422 -13.069 -26.918 1.00 0.00 C +ATOM 385 CD PRO A 47 8.213 -12.275 -26.515 1.00 0.00 C +ATOM 386 N ARG A 48 7.397 -16.771 -24.709 1.00 0.00 N +ATOM 387 CA ARG A 48 6.981 -17.615 -23.593 1.00 0.00 C +ATOM 388 C ARG A 48 7.879 -17.399 -22.379 1.00 0.00 C +ATOM 389 CB ARG A 48 6.996 -19.090 -24.000 1.00 0.00 C +ATOM 390 O ARG A 48 7.422 -17.494 -21.238 1.00 0.00 O +ATOM 391 CG ARG A 48 6.477 -20.031 -22.924 1.00 0.00 C +ATOM 392 CD ARG A 48 6.358 -21.460 -23.434 1.00 0.00 C +ATOM 393 NE ARG A 48 5.828 -22.356 -22.410 1.00 0.00 N +ATOM 394 NH1 ARG A 48 5.838 -24.235 -23.754 1.00 0.00 N +ATOM 395 NH2 ARG A 48 5.110 -24.375 -21.585 1.00 0.00 N +ATOM 396 CZ ARG A 48 5.594 -23.653 -22.585 1.00 0.00 C +ATOM 397 N TRP A 49 9.164 -16.987 -22.571 1.00 0.00 N +ATOM 398 CA TRP A 49 10.125 -16.777 -21.493 1.00 0.00 C +ATOM 399 C TRP A 49 9.758 -15.549 -20.668 1.00 0.00 C +ATOM 400 CB TRP A 49 11.540 -16.625 -22.056 1.00 0.00 C +ATOM 401 O TRP A 49 10.007 -15.507 -19.461 1.00 0.00 O +ATOM 402 CG TRP A 49 11.710 -15.446 -22.967 1.00 0.00 C +ATOM 403 CD1 TRP A 49 11.678 -15.449 -24.334 1.00 0.00 C +ATOM 404 CD2 TRP A 49 11.943 -14.090 -22.574 1.00 0.00 C +ATOM 405 CE2 TRP A 49 12.042 -13.323 -23.756 1.00 0.00 C +ATOM 406 CE3 TRP A 49 12.077 -13.448 -21.335 1.00 0.00 C +ATOM 407 NE1 TRP A 49 11.877 -14.175 -24.814 1.00 0.00 N +ATOM 408 CH2 TRP A 49 12.396 -11.342 -22.510 1.00 0.00 C +ATOM 409 CZ2 TRP A 49 12.269 -11.945 -23.735 1.00 0.00 C +ATOM 410 CZ3 TRP A 49 12.303 -12.077 -21.317 1.00 0.00 C +ATOM 411 N VAL A 50 9.128 -14.569 -21.215 1.00 0.00 N +ATOM 412 CA VAL A 50 8.659 -13.390 -20.495 1.00 0.00 C +ATOM 413 C VAL A 50 7.567 -13.788 -19.505 1.00 0.00 C +ATOM 414 CB VAL A 50 8.131 -12.307 -21.464 1.00 0.00 C +ATOM 415 O VAL A 50 7.609 -13.398 -18.336 1.00 0.00 O +ATOM 416 CG1 VAL A 50 7.564 -11.119 -20.688 1.00 0.00 C +ATOM 417 CG2 VAL A 50 9.240 -11.852 -22.410 1.00 0.00 C +ATOM 418 N TYR A 51 6.623 -14.681 -19.925 1.00 0.00 N +ATOM 419 CA TYR A 51 5.574 -15.207 -19.059 1.00 0.00 C +ATOM 420 C TYR A 51 6.164 -16.057 -17.940 1.00 0.00 C +ATOM 421 CB TYR A 51 4.572 -16.034 -19.870 1.00 0.00 C +ATOM 422 O TYR A 51 5.746 -15.952 -16.785 1.00 0.00 O +ATOM 423 CG TYR A 51 3.796 -15.226 -20.882 1.00 0.00 C +ATOM 424 CD1 TYR A 51 2.700 -14.457 -20.496 1.00 0.00 C +ATOM 425 CD2 TYR A 51 4.157 -15.230 -22.225 1.00 0.00 C +ATOM 426 CE1 TYR A 51 1.981 -13.713 -21.426 1.00 0.00 C +ATOM 427 CE2 TYR A 51 3.445 -14.490 -23.163 1.00 0.00 C +ATOM 428 OH TYR A 51 1.653 -13.000 -23.679 1.00 0.00 O +ATOM 429 CZ TYR A 51 2.361 -13.735 -22.755 1.00 0.00 C +ATOM 430 N ASN A 52 7.159 -16.798 -18.264 1.00 0.00 N +ATOM 431 CA ASN A 52 7.848 -17.608 -17.265 1.00 0.00 C +ATOM 432 C ASN A 52 8.560 -16.739 -16.233 1.00 0.00 C +ATOM 433 CB ASN A 52 8.842 -18.557 -17.937 1.00 0.00 C +ATOM 434 O ASN A 52 8.433 -16.969 -15.029 1.00 0.00 O +ATOM 435 CG ASN A 52 8.159 -19.643 -18.744 1.00 0.00 C +ATOM 436 ND2 ASN A 52 8.932 -20.351 -19.559 1.00 0.00 N +ATOM 437 OD1 ASN A 52 6.946 -19.844 -18.637 1.00 0.00 O +ATOM 438 N ILE A 53 9.243 -15.670 -16.643 1.00 2.33 N +ATOM 439 CA ILE A 53 9.914 -14.741 -15.739 1.00 2.33 C +ATOM 440 C ILE A 53 8.879 -14.029 -14.870 1.00 2.33 C +ATOM 441 CB ILE A 53 10.762 -13.710 -16.516 1.00 2.33 C +ATOM 442 O ILE A 53 9.042 -13.935 -13.652 1.00 2.33 O +ATOM 443 CG1 ILE A 53 12.011 -14.379 -17.102 1.00 2.33 C +ATOM 444 CG2 ILE A 53 11.144 -12.534 -15.612 1.00 2.33 C +ATOM 445 CD1 ILE A 53 12.792 -13.495 -18.065 1.00 2.33 C +ATOM 446 N ALA A 54 7.796 -13.610 -15.449 1.00 1.64 N +ATOM 447 CA ALA A 54 6.706 -12.945 -14.741 1.00 1.64 C +ATOM 448 C ALA A 54 6.087 -13.867 -13.695 1.00 1.64 C +ATOM 449 CB ALA A 54 5.640 -12.474 -15.727 1.00 1.64 C +ATOM 450 O ALA A 54 5.869 -13.461 -12.551 1.00 1.64 O +ATOM 451 N THR A 55 5.919 -15.074 -13.975 1.00 0.00 N +ATOM 452 CA THR A 55 5.394 -16.099 -13.080 1.00 0.00 C +ATOM 453 C THR A 55 6.356 -16.352 -11.924 1.00 0.00 C +ATOM 454 CB THR A 55 5.133 -17.417 -13.833 1.00 0.00 C +ATOM 455 O THR A 55 5.955 -16.327 -10.758 1.00 0.00 O +ATOM 456 CG2 THR A 55 4.571 -18.482 -12.898 1.00 0.00 C +ATOM 457 OG1 THR A 55 4.194 -17.180 -14.889 1.00 0.00 O +ATOM 458 N VAL A 56 7.580 -16.535 -12.271 1.00 0.00 N +ATOM 459 CA VAL A 56 8.594 -16.749 -11.243 1.00 0.00 C +ATOM 460 C VAL A 56 8.668 -15.529 -10.328 1.00 0.00 C +ATOM 461 CB VAL A 56 9.980 -17.034 -11.864 1.00 0.00 C +ATOM 462 O VAL A 56 8.655 -15.663 -9.102 1.00 0.00 O +ATOM 463 CG1 VAL A 56 11.067 -17.013 -10.791 1.00 0.00 C +ATOM 464 CG2 VAL A 56 9.971 -18.375 -12.595 1.00 0.00 C +ATOM 465 N TRP A 57 8.650 -14.361 -10.872 1.00 0.00 N +ATOM 466 CA TRP A 57 8.649 -13.120 -10.104 1.00 0.00 C +ATOM 467 C TRP A 57 7.431 -13.046 -9.190 1.00 0.00 C +ATOM 468 CB TRP A 57 8.674 -11.909 -11.041 1.00 0.00 C +ATOM 469 O TRP A 57 7.561 -12.774 -7.994 1.00 0.00 O +ATOM 470 CG TRP A 57 8.597 -10.590 -10.332 1.00 0.00 C +ATOM 471 CD1 TRP A 57 7.509 -9.768 -10.235 1.00 0.00 C +ATOM 472 CD2 TRP A 57 9.657 -9.937 -9.625 1.00 0.00 C +ATOM 473 CE2 TRP A 57 9.138 -8.723 -9.123 1.00 0.00 C +ATOM 474 CE3 TRP A 57 10.995 -10.262 -9.366 1.00 0.00 C +ATOM 475 NE1 TRP A 57 7.827 -8.644 -9.509 1.00 0.00 N +ATOM 476 CH2 TRP A 57 11.219 -8.175 -8.138 1.00 0.00 C +ATOM 477 CZ2 TRP A 57 9.913 -7.832 -8.377 1.00 0.00 C +ATOM 478 CZ3 TRP A 57 11.764 -9.375 -8.623 1.00 0.00 C +ATOM 479 N MET A 58 6.234 -13.406 -9.659 1.00 0.00 N +ATOM 480 CA MET A 58 5.004 -13.392 -8.873 1.00 0.00 C +ATOM 481 C MET A 58 5.091 -14.372 -7.708 1.00 0.00 C +ATOM 482 CB MET A 58 3.799 -13.731 -9.753 1.00 0.00 C +ATOM 483 O MET A 58 4.724 -14.037 -6.581 1.00 0.00 O +ATOM 484 CG MET A 58 3.378 -12.600 -10.677 1.00 0.00 C +ATOM 485 SD MET A 58 2.887 -11.088 -9.760 1.00 0.00 S +ATOM 486 CE MET A 58 1.397 -11.693 -8.920 1.00 0.00 C +ATOM 487 N PHE A 59 5.690 -15.540 -7.899 1.00 0.00 N +ATOM 488 CA PHE A 59 5.896 -16.506 -6.826 1.00 0.00 C +ATOM 489 C PHE A 59 6.855 -15.954 -5.778 1.00 0.00 C +ATOM 490 CB PHE A 59 6.433 -17.827 -7.385 1.00 0.00 C +ATOM 491 O PHE A 59 6.592 -16.049 -4.577 1.00 0.00 O +ATOM 492 CG PHE A 59 5.364 -18.734 -7.932 1.00 0.00 C +ATOM 493 CD1 PHE A 59 4.437 -19.328 -7.085 1.00 0.00 C +ATOM 494 CD2 PHE A 59 5.286 -18.992 -9.295 1.00 0.00 C +ATOM 495 CE1 PHE A 59 3.446 -20.168 -7.589 1.00 0.00 C +ATOM 496 CE2 PHE A 59 4.299 -19.830 -9.805 1.00 0.00 C +ATOM 497 CZ PHE A 59 3.381 -20.418 -8.950 1.00 0.00 C +ATOM 498 N VAL A 60 7.911 -15.314 -6.247 1.00 0.36 N +ATOM 499 CA VAL A 60 8.868 -14.682 -5.344 1.00 0.36 C +ATOM 500 C VAL A 60 8.172 -13.588 -4.537 1.00 0.36 C +ATOM 501 CB VAL A 60 10.070 -14.092 -6.115 1.00 0.36 C +ATOM 502 O VAL A 60 8.290 -13.544 -3.310 1.00 0.36 O +ATOM 503 CG1 VAL A 60 10.947 -13.253 -5.187 1.00 0.36 C +ATOM 504 CG2 VAL A 60 10.888 -15.208 -6.763 1.00 0.36 C +ATOM 505 N VAL A 61 7.364 -12.751 -5.150 1.00 0.00 N +ATOM 506 CA VAL A 61 6.620 -11.674 -4.505 1.00 0.00 C +ATOM 507 C VAL A 61 5.633 -12.258 -3.496 1.00 0.00 C +ATOM 508 CB VAL A 61 5.871 -10.803 -5.538 1.00 0.00 C +ATOM 509 O VAL A 61 5.561 -11.801 -2.353 1.00 0.00 O +ATOM 510 CG1 VAL A 61 4.891 -9.860 -4.842 1.00 0.00 C +ATOM 511 CG2 VAL A 61 6.864 -10.013 -6.388 1.00 0.00 C +ATOM 512 N VAL A 62 4.936 -13.309 -3.756 1.00 0.00 N +ATOM 513 CA VAL A 62 3.974 -13.957 -2.872 1.00 0.00 C +ATOM 514 C VAL A 62 4.688 -14.488 -1.631 1.00 0.00 C +ATOM 515 CB VAL A 62 3.227 -15.104 -3.589 1.00 0.00 C +ATOM 516 O VAL A 62 4.267 -14.222 -0.503 1.00 0.00 O +ATOM 517 CG1 VAL A 62 2.422 -15.933 -2.589 1.00 0.00 C +ATOM 518 CG2 VAL A 62 2.315 -14.546 -4.681 1.00 0.00 C +ATOM 519 N ILE A 63 5.767 -15.220 -1.848 1.00 0.00 N +ATOM 520 CA ILE A 63 6.509 -15.817 -0.743 1.00 0.00 C +ATOM 521 C ILE A 63 7.055 -14.718 0.166 1.00 0.00 C +ATOM 522 CB ILE A 63 7.661 -16.711 -1.255 1.00 0.00 C +ATOM 523 O ILE A 63 6.828 -14.737 1.378 1.00 0.00 O +ATOM 524 CG1 ILE A 63 7.102 -17.976 -1.916 1.00 0.00 C +ATOM 525 CG2 ILE A 63 8.617 -17.067 -0.112 1.00 0.00 C +ATOM 526 CD1 ILE A 63 8.134 -18.769 -2.706 1.00 0.00 C +ATOM 527 N LEU A 64 7.690 -13.708 -0.430 1.00 0.00 N +ATOM 528 CA LEU A 64 8.318 -12.640 0.340 1.00 0.00 C +ATOM 529 C LEU A 64 7.266 -11.762 1.010 1.00 0.00 C +ATOM 530 CB LEU A 64 9.214 -11.786 -0.560 1.00 0.00 C +ATOM 531 O LEU A 64 7.388 -11.431 2.191 1.00 0.00 O +ATOM 532 CG LEU A 64 10.476 -12.462 -1.098 1.00 0.00 C +ATOM 533 CD1 LEU A 64 11.261 -11.496 -1.979 1.00 0.00 C +ATOM 534 CD2 LEU A 64 11.342 -12.970 0.050 1.00 0.00 C +ATOM 535 N SER A 65 6.174 -11.391 0.339 1.00 0.00 N +ATOM 536 CA SER A 65 5.085 -10.591 0.889 1.00 0.00 C +ATOM 537 C SER A 65 4.367 -11.332 2.012 1.00 0.00 C +ATOM 538 CB SER A 65 4.086 -10.219 -0.207 1.00 0.00 C +ATOM 539 O SER A 65 4.208 -10.799 3.112 1.00 0.00 O +ATOM 540 OG SER A 65 3.040 -9.419 0.316 1.00 0.00 O +ATOM 541 N THR A 66 4.023 -12.597 1.825 1.00 0.90 N +ATOM 542 CA THR A 66 3.359 -13.399 2.847 1.00 0.90 C +ATOM 543 C THR A 66 4.258 -13.572 4.067 1.00 0.90 C +ATOM 544 CB THR A 66 2.960 -14.782 2.300 1.00 0.90 C +ATOM 545 O THR A 66 3.801 -13.442 5.205 1.00 0.90 O +ATOM 546 CG2 THR A 66 2.210 -15.593 3.351 1.00 0.90 C +ATOM 547 OG1 THR A 66 2.117 -14.611 1.154 1.00 0.90 O +ATOM 548 N PHE A 67 5.525 -13.827 3.849 1.00 0.00 N +ATOM 549 CA PHE A 67 6.484 -13.980 4.937 1.00 0.00 C +ATOM 550 C PHE A 67 6.650 -12.672 5.700 1.00 0.00 C +ATOM 551 CB PHE A 67 7.839 -14.449 4.398 1.00 0.00 C +ATOM 552 O PHE A 67 6.490 -12.636 6.922 1.00 0.00 O +ATOM 553 CG PHE A 67 8.910 -14.545 5.450 1.00 0.00 C +ATOM 554 CD1 PHE A 67 8.938 -15.613 6.338 1.00 0.00 C +ATOM 555 CD2 PHE A 67 9.891 -13.567 5.551 1.00 0.00 C +ATOM 556 CE1 PHE A 67 9.929 -15.705 7.313 1.00 0.00 C +ATOM 557 CE2 PHE A 67 10.884 -13.651 6.522 1.00 0.00 C +ATOM 558 CZ PHE A 67 10.901 -14.720 7.403 1.00 0.00 C +ATOM 559 N THR A 68 6.927 -11.515 5.028 1.00 0.00 N +ATOM 560 CA THR A 68 7.222 -10.237 5.665 1.00 0.00 C +ATOM 561 C THR A 68 5.980 -9.675 6.351 1.00 0.00 C +ATOM 562 CB THR A 68 7.755 -9.214 4.645 1.00 0.00 C +ATOM 563 O THR A 68 6.040 -9.255 7.509 1.00 0.00 O +ATOM 564 CG2 THR A 68 9.153 -9.592 4.166 1.00 0.00 C +ATOM 565 OG1 THR A 68 6.872 -9.167 3.518 1.00 0.00 O +ATOM 566 N ASN A 69 4.800 -9.708 5.692 1.00 0.00 N +ATOM 567 CA ASN A 69 3.545 -9.278 6.299 1.00 0.00 C +ATOM 568 C ASN A 69 3.099 -10.235 7.400 1.00 0.00 C +ATOM 569 CB ASN A 69 2.453 -9.145 5.236 1.00 0.00 C +ATOM 570 O ASN A 69 2.606 -9.801 8.443 1.00 0.00 O +ATOM 571 CG ASN A 69 2.611 -7.897 4.389 1.00 0.00 C +ATOM 572 ND2 ASN A 69 2.926 -8.083 3.113 1.00 0.00 N +ATOM 573 OD1 ASN A 69 2.452 -6.776 4.878 1.00 0.00 O +ATOM 574 N GLY A 70 3.316 -11.565 7.274 1.00 0.00 N +ATOM 575 CA GLY A 70 3.111 -12.546 8.327 1.00 0.00 C +ATOM 576 C GLY A 70 3.919 -12.257 9.578 1.00 0.00 C +ATOM 577 O GLY A 70 3.393 -12.316 10.691 1.00 0.00 O +ATOM 578 N LEU A 71 5.185 -11.813 9.452 1.00 0.00 N +ATOM 579 CA LEU A 71 6.041 -11.407 10.561 1.00 0.00 C +ATOM 580 C LEU A 71 5.450 -10.207 11.293 1.00 0.00 C +ATOM 581 CB LEU A 71 7.448 -11.071 10.058 1.00 0.00 C +ATOM 582 O LEU A 71 5.463 -10.159 12.525 1.00 0.00 O +ATOM 583 CG LEU A 71 8.325 -12.258 9.655 1.00 0.00 C +ATOM 584 CD1 LEU A 71 9.663 -11.767 9.112 1.00 0.00 C +ATOM 585 CD2 LEU A 71 8.534 -13.195 10.840 1.00 0.00 C +ATOM 586 N VAL A 72 4.884 -9.268 10.571 1.00 0.00 N +ATOM 587 CA VAL A 72 4.238 -8.097 11.154 1.00 0.00 C +ATOM 588 C VAL A 72 3.023 -8.530 11.971 1.00 0.00 C +ATOM 589 CB VAL A 72 3.816 -7.082 10.068 1.00 0.00 C +ATOM 590 O VAL A 72 2.861 -8.115 13.121 1.00 0.00 O +ATOM 591 CG1 VAL A 72 2.963 -5.968 10.673 1.00 0.00 C +ATOM 592 CG2 VAL A 72 5.047 -6.501 9.374 1.00 0.00 C +ATOM 593 N LEU A 73 2.177 -9.438 11.458 1.00 0.00 N +ATOM 594 CA LEU A 73 0.984 -9.938 12.131 1.00 0.00 C +ATOM 595 C LEU A 73 1.354 -10.714 13.390 1.00 0.00 C +ATOM 596 CB LEU A 73 0.172 -10.831 11.188 1.00 0.00 C +ATOM 597 O LEU A 73 0.836 -10.432 14.473 1.00 0.00 O +ATOM 598 CG LEU A 73 -0.435 -10.147 9.962 1.00 0.00 C +ATOM 599 CD1 LEU A 73 -1.215 -11.155 9.125 1.00 0.00 C +ATOM 600 CD2 LEU A 73 -1.332 -8.988 10.385 1.00 0.00 C +ATOM 601 N VAL A 74 2.334 -11.629 13.328 1.00 0.00 N +ATOM 602 CA VAL A 74 2.777 -12.460 14.442 1.00 0.00 C +ATOM 603 C VAL A 74 3.435 -11.588 15.508 1.00 0.00 C +ATOM 604 CB VAL A 74 3.757 -13.560 13.975 1.00 0.00 C +ATOM 605 O VAL A 74 3.161 -11.742 16.701 1.00 0.00 O +ATOM 606 CG1 VAL A 74 4.355 -14.295 15.174 1.00 0.00 C +ATOM 607 CG2 VAL A 74 3.050 -14.541 13.041 1.00 0.00 C +ATOM 608 N ALA A 75 4.242 -10.600 15.124 1.00 0.00 N +ATOM 609 CA ALA A 75 4.890 -9.685 16.060 1.00 0.00 C +ATOM 610 C ALA A 75 3.860 -8.844 16.807 1.00 0.00 C +ATOM 611 CB ALA A 75 5.878 -8.783 15.325 1.00 0.00 C +ATOM 612 O ALA A 75 3.894 -8.757 18.037 1.00 0.00 O +ATOM 613 N THR A 76 2.858 -8.263 16.133 1.00 0.00 N +ATOM 614 CA THR A 76 1.835 -7.414 16.734 1.00 0.00 C +ATOM 615 C THR A 76 0.931 -8.227 17.656 1.00 0.00 C +ATOM 616 CB THR A 76 0.983 -6.719 15.656 1.00 0.00 C +ATOM 617 O THR A 76 0.552 -7.760 18.732 1.00 0.00 O +ATOM 618 CG2 THR A 76 -0.029 -5.766 16.285 1.00 0.00 C +ATOM 619 OG1 THR A 76 1.841 -5.977 14.781 1.00 0.00 O +ATOM 620 N ALA A 77 0.658 -9.537 17.321 1.00 0.00 N +ATOM 621 CA ALA A 77 -0.144 -10.438 18.144 1.00 0.00 C +ATOM 622 C ALA A 77 0.614 -10.853 19.402 1.00 0.00 C +ATOM 623 CB ALA A 77 -0.552 -11.671 17.342 1.00 0.00 C +ATOM 624 O ALA A 77 0.060 -10.834 20.503 1.00 0.00 O +ATOM 625 N LYS A 78 1.863 -11.088 19.282 1.00 0.00 N +ATOM 626 CA LYS A 78 2.694 -11.634 20.351 1.00 0.00 C +ATOM 627 C LYS A 78 3.088 -10.551 21.350 1.00 0.00 C +ATOM 628 CB LYS A 78 3.947 -12.294 19.772 1.00 0.00 C +ATOM 629 O LYS A 78 3.051 -10.774 22.562 1.00 0.00 O +ATOM 630 CG LYS A 78 4.834 -12.960 20.815 1.00 0.00 C +ATOM 631 CD LYS A 78 5.945 -13.774 20.165 1.00 0.00 C +ATOM 632 CE LYS A 78 6.837 -14.435 21.208 1.00 0.00 C +ATOM 633 NZ LYS A 78 7.889 -15.287 20.576 1.00 0.00 N +ATOM 634 N PHE A 79 3.403 -9.363 20.942 1.00 0.00 N +ATOM 635 CA PHE A 79 4.004 -8.345 21.795 1.00 0.00 C +ATOM 636 C PHE A 79 2.994 -7.254 22.131 1.00 0.00 C +ATOM 637 CB PHE A 79 5.234 -7.732 21.119 1.00 0.00 C +ATOM 638 O PHE A 79 2.675 -6.415 21.286 1.00 0.00 O +ATOM 639 CG PHE A 79 6.355 -8.710 20.896 1.00 0.00 C +ATOM 640 CD1 PHE A 79 7.178 -9.096 21.947 1.00 0.00 C +ATOM 641 CD2 PHE A 79 6.587 -9.244 19.635 1.00 0.00 C +ATOM 642 CE1 PHE A 79 8.218 -10.001 21.744 1.00 0.00 C +ATOM 643 CE2 PHE A 79 7.623 -10.149 19.425 1.00 0.00 C +ATOM 644 CZ PHE A 79 8.438 -10.525 20.480 1.00 0.00 C +ATOM 645 N LYS A 80 2.636 -7.124 23.446 1.00 0.00 N +ATOM 646 CA LYS A 80 1.650 -6.180 23.963 1.00 0.00 C +ATOM 647 C LYS A 80 2.071 -4.739 23.687 1.00 0.00 C +ATOM 648 CB LYS A 80 1.443 -6.387 25.464 1.00 0.00 C +ATOM 649 O LYS A 80 1.228 -3.880 23.420 1.00 0.00 O +ATOM 650 CG LYS A 80 0.678 -7.655 25.814 1.00 0.00 C +ATOM 651 CD LYS A 80 0.365 -7.726 27.303 1.00 0.00 C +ATOM 652 CE LYS A 80 -0.400 -8.995 27.655 1.00 0.00 C +ATOM 653 NZ LYS A 80 -0.692 -9.078 29.117 1.00 0.00 N +ATOM 654 N LYS A 81 3.338 -4.508 23.637 1.00 0.00 N +ATOM 655 CA LYS A 81 3.915 -3.188 23.401 1.00 0.00 C +ATOM 656 C LYS A 81 3.646 -2.718 21.975 1.00 0.00 C +ATOM 657 CB LYS A 81 5.421 -3.204 23.672 1.00 0.00 C +ATOM 658 O LYS A 81 3.709 -1.520 21.688 1.00 0.00 O +ATOM 659 CG LYS A 81 6.198 -4.167 22.787 1.00 0.00 C +ATOM 660 CD LYS A 81 7.687 -4.146 23.110 1.00 0.00 C +ATOM 661 CE LYS A 81 8.474 -5.063 22.184 1.00 0.00 C +ATOM 662 NZ LYS A 81 9.931 -5.064 22.514 1.00 0.00 N +ATOM 663 N LEU A 82 3.316 -3.617 21.038 1.00 0.00 N +ATOM 664 CA LEU A 82 2.972 -3.301 19.656 1.00 0.00 C +ATOM 665 C LEU A 82 1.465 -3.130 19.496 1.00 0.00 C +ATOM 666 CB LEU A 82 3.476 -4.397 18.714 1.00 0.00 C +ATOM 667 O LEU A 82 0.981 -2.850 18.398 1.00 0.00 O +ATOM 668 CG LEU A 82 4.992 -4.581 18.637 1.00 0.00 C +ATOM 669 CD1 LEU A 82 5.344 -5.664 17.623 1.00 0.00 C +ATOM 670 CD2 LEU A 82 5.673 -3.264 18.278 1.00 0.00 C +ATOM 671 N ARG A 83 0.697 -3.256 20.510 1.00 0.00 N +ATOM 672 CA ARG A 83 -0.744 -3.041 20.421 1.00 0.00 C +ATOM 673 C ARG A 83 -1.087 -1.563 20.570 1.00 0.00 C +ATOM 674 CB ARG A 83 -1.476 -3.859 21.487 1.00 0.00 C +ATOM 675 O ARG A 83 -2.027 -1.208 21.284 1.00 0.00 O +ATOM 676 CG ARG A 83 -1.311 -5.363 21.331 1.00 0.00 C +ATOM 677 CD ARG A 83 -2.185 -6.131 22.312 1.00 0.00 C +ATOM 678 NE ARG A 83 -2.005 -7.574 22.179 1.00 0.00 N +ATOM 679 NH1 ARG A 83 -3.438 -8.120 23.908 1.00 0.00 N +ATOM 680 NH2 ARG A 83 -2.369 -9.773 22.733 1.00 0.00 N +ATOM 681 CZ ARG A 83 -2.604 -8.486 22.940 1.00 0.00 C +ATOM 682 N HIS A 84 -0.364 -0.702 19.976 1.00 0.00 N +ATOM 683 CA HIS A 84 -0.601 0.726 19.800 1.00 0.00 C +ATOM 684 C HIS A 84 -1.522 0.990 18.614 1.00 0.00 C +ATOM 685 CB HIS A 84 0.723 1.470 19.612 1.00 0.00 C +ATOM 686 O HIS A 84 -1.475 0.270 17.614 1.00 0.00 O +ATOM 687 CG HIS A 84 0.586 2.959 19.657 1.00 0.00 C +ATOM 688 CD2 HIS A 84 0.628 3.824 20.698 1.00 0.00 C +ATOM 689 ND1 HIS A 84 0.374 3.721 18.529 1.00 0.00 N +ATOM 690 CE1 HIS A 84 0.293 4.995 18.875 1.00 0.00 C +ATOM 691 NE2 HIS A 84 0.444 5.085 20.185 1.00 0.00 N +ATOM 692 N PRO A 85 -2.350 2.061 18.553 1.00 0.00 N +ATOM 693 CA PRO A 85 -3.336 2.337 17.505 1.00 0.00 C +ATOM 694 C PRO A 85 -2.718 2.376 16.109 1.00 0.00 C +ATOM 695 CB PRO A 85 -3.890 3.709 17.896 1.00 0.00 C +ATOM 696 O PRO A 85 -3.257 1.778 15.175 1.00 0.00 O +ATOM 697 CG PRO A 85 -3.840 3.730 19.390 1.00 0.00 C +ATOM 698 CD PRO A 85 -2.585 3.034 19.834 1.00 0.00 C +ATOM 699 N LEU A 86 -1.515 2.920 15.984 1.00 0.00 N +ATOM 700 CA LEU A 86 -0.780 2.963 14.725 1.00 0.00 C +ATOM 701 C LEU A 86 -0.502 1.555 14.209 1.00 0.00 C +ATOM 702 CB LEU A 86 0.536 3.725 14.897 1.00 0.00 C +ATOM 703 O LEU A 86 -0.577 1.304 13.004 1.00 0.00 O +ATOM 704 CG LEU A 86 1.435 3.814 13.663 1.00 0.00 C +ATOM 705 CD1 LEU A 86 0.744 4.607 12.559 1.00 0.00 C +ATOM 706 CD2 LEU A 86 2.776 4.445 14.022 1.00 0.00 C +ATOM 707 N ASN A 87 -0.221 0.655 15.086 1.00 0.00 N +ATOM 708 CA ASN A 87 0.121 -0.709 14.696 1.00 0.00 C +ATOM 709 C ASN A 87 -1.108 -1.482 14.226 1.00 0.00 C +ATOM 710 CB ASN A 87 0.800 -1.444 15.853 1.00 0.00 C +ATOM 711 O ASN A 87 -0.996 -2.395 13.406 1.00 0.00 O +ATOM 712 CG ASN A 87 2.158 -0.863 16.196 1.00 0.00 C +ATOM 713 ND2 ASN A 87 2.625 -1.125 17.411 1.00 0.00 N +ATOM 714 OD1 ASN A 87 2.782 -0.184 15.376 1.00 0.00 O +ATOM 715 N TRP A 88 -2.320 -1.134 14.619 1.00 0.00 N +ATOM 716 CA TRP A 88 -3.543 -1.722 14.083 1.00 0.00 C +ATOM 717 C TRP A 88 -3.732 -1.346 12.617 1.00 0.00 C +ATOM 718 CB TRP A 88 -4.758 -1.274 14.899 1.00 0.00 C +ATOM 719 O TRP A 88 -4.164 -2.171 11.809 1.00 0.00 O +ATOM 720 CG TRP A 88 -4.850 -1.909 16.254 1.00 0.00 C +ATOM 721 CD1 TRP A 88 -4.770 -1.281 17.466 1.00 0.00 C +ATOM 722 CD2 TRP A 88 -5.035 -3.300 16.534 1.00 0.00 C +ATOM 723 CE2 TRP A 88 -5.058 -3.444 17.939 1.00 0.00 C +ATOM 724 CE3 TRP A 88 -5.184 -4.440 15.733 1.00 0.00 C +ATOM 725 NE1 TRP A 88 -4.895 -2.199 18.484 1.00 0.00 N +ATOM 726 CH2 TRP A 88 -5.369 -5.783 17.753 1.00 0.00 C +ATOM 727 CZ2 TRP A 88 -5.225 -4.684 18.560 1.00 0.00 C +ATOM 728 CZ3 TRP A 88 -5.350 -5.673 16.353 1.00 0.00 C +ATOM 729 N ILE A 89 -3.345 -0.159 12.217 1.00 0.00 N +ATOM 730 CA ILE A 89 -3.381 0.256 10.819 1.00 0.00 C +ATOM 731 C ILE A 89 -2.326 -0.511 10.025 1.00 0.00 C +ATOM 732 CB ILE A 89 -3.158 1.778 10.675 1.00 0.00 C +ATOM 733 O ILE A 89 -2.579 -0.938 8.896 1.00 0.00 O +ATOM 734 CG1 ILE A 89 -4.170 2.549 11.530 1.00 0.00 C +ATOM 735 CG2 ILE A 89 -3.248 2.201 9.205 1.00 0.00 C +ATOM 736 CD1 ILE A 89 -3.829 4.022 11.715 1.00 0.00 C +ATOM 737 N LEU A 90 -1.228 -0.819 10.639 1.00 0.00 N +ATOM 738 CA LEU A 90 -0.187 -1.629 10.017 1.00 0.00 C +ATOM 739 C LEU A 90 -0.641 -3.078 9.871 1.00 0.00 C +ATOM 740 CB LEU A 90 1.103 -1.567 10.839 1.00 0.00 C +ATOM 741 O LEU A 90 -0.332 -3.731 8.872 1.00 0.00 O +ATOM 742 CG LEU A 90 1.845 -0.230 10.836 1.00 0.00 C +ATOM 743 CD1 LEU A 90 2.950 -0.234 11.888 1.00 0.00 C +ATOM 744 CD2 LEU A 90 2.418 0.062 9.453 1.00 0.00 C +ATOM 745 N VAL A 91 -1.341 -3.607 10.857 1.00 0.00 N +ATOM 746 CA VAL A 91 -1.975 -4.918 10.767 1.00 0.00 C +ATOM 747 C VAL A 91 -2.982 -4.927 9.619 1.00 0.00 C +ATOM 748 CB VAL A 91 -2.673 -5.302 12.091 1.00 0.00 C +ATOM 749 O VAL A 91 -3.000 -5.856 8.808 1.00 0.00 O +ATOM 750 CG1 VAL A 91 -3.613 -6.488 11.881 1.00 0.00 C +ATOM 751 CG2 VAL A 91 -1.637 -5.622 13.167 1.00 0.00 C +ATOM 752 N ASN A 92 -3.762 -3.868 9.448 1.00 0.00 N +ATOM 753 CA ASN A 92 -4.701 -3.720 8.342 1.00 0.00 C +ATOM 754 C ASN A 92 -3.984 -3.716 6.995 1.00 0.00 C +ATOM 755 CB ASN A 92 -5.528 -2.443 8.507 1.00 0.00 C +ATOM 756 O ASN A 92 -4.380 -4.432 6.073 1.00 0.00 O +ATOM 757 CG ASN A 92 -6.546 -2.259 7.398 1.00 0.00 C +ATOM 758 ND2 ASN A 92 -6.343 -1.241 6.570 1.00 0.00 N +ATOM 759 OD1 ASN A 92 -7.507 -3.024 7.287 1.00 0.00 O +ATOM 760 N LEU A 93 -2.918 -2.982 6.882 1.00 0.00 N +ATOM 761 CA LEU A 93 -2.076 -2.939 5.691 1.00 0.00 C +ATOM 762 C LEU A 93 -1.510 -4.320 5.375 1.00 0.00 C +ATOM 763 CB LEU A 93 -0.933 -1.938 5.878 1.00 0.00 C +ATOM 764 O LEU A 93 -1.646 -4.809 4.251 1.00 0.00 O +ATOM 765 CG LEU A 93 0.068 -1.828 4.727 1.00 0.00 C +ATOM 766 CD1 LEU A 93 -0.642 -1.402 3.446 1.00 0.00 C +ATOM 767 CD2 LEU A 93 1.182 -0.848 5.078 1.00 0.00 C +ATOM 768 N ALA A 94 -1.023 -5.043 6.368 1.00 0.00 N +ATOM 769 CA ALA A 94 -0.451 -6.378 6.212 1.00 0.00 C +ATOM 770 C ALA A 94 -1.515 -7.383 5.780 1.00 0.00 C +ATOM 771 CB ALA A 94 0.206 -6.831 7.514 1.00 0.00 C +ATOM 772 O ALA A 94 -1.254 -8.250 4.942 1.00 0.00 O +ATOM 773 N VAL A 95 -2.744 -7.285 6.273 1.00 0.00 N +ATOM 774 CA VAL A 95 -3.868 -8.139 5.901 1.00 0.00 C +ATOM 775 C VAL A 95 -4.281 -7.849 4.459 1.00 0.00 C +ATOM 776 CB VAL A 95 -5.071 -7.941 6.850 1.00 0.00 C +ATOM 777 O VAL A 95 -4.478 -8.773 3.666 1.00 0.00 O +ATOM 778 CG1 VAL A 95 -6.314 -8.635 6.298 1.00 0.00 C +ATOM 779 CG2 VAL A 95 -4.739 -8.463 8.247 1.00 0.00 C +ATOM 780 N ALA A 96 -4.337 -6.597 4.066 1.00 0.00 N +ATOM 781 CA ALA A 96 -4.654 -6.194 2.698 1.00 0.00 C +ATOM 782 C ALA A 96 -3.598 -6.697 1.719 1.00 0.00 C +ATOM 783 CB ALA A 96 -4.780 -4.675 2.607 1.00 0.00 C +ATOM 784 O ALA A 96 -3.928 -7.303 0.697 1.00 0.00 O +ATOM 785 N ASP A 97 -2.342 -6.589 2.048 1.00 0.00 N +ATOM 786 CA ASP A 97 -1.210 -7.011 1.228 1.00 0.00 C +ATOM 787 C ASP A 97 -1.185 -8.529 1.066 1.00 0.00 C +ATOM 788 CB ASP A 97 0.106 -6.525 1.839 1.00 0.00 C +ATOM 789 O ASP A 97 -0.972 -9.038 -0.036 1.00 0.00 O +ATOM 790 CG ASP A 97 0.334 -5.036 1.647 1.00 0.00 C +ATOM 791 OD1 ASP A 97 -0.373 -4.411 0.828 1.00 0.00 O +ATOM 792 OD2 ASP A 97 1.232 -4.484 2.320 1.00 0.00 O +ATOM 793 N ILE A 98 -1.427 -9.324 2.131 1.00 0.00 N +ATOM 794 CA ILE A 98 -1.496 -10.779 2.058 1.00 0.00 C +ATOM 795 C ILE A 98 -2.694 -11.197 1.208 1.00 0.00 C +ATOM 796 CB ILE A 98 -1.591 -11.412 3.465 1.00 0.00 C +ATOM 797 O ILE A 98 -2.573 -12.058 0.334 1.00 0.00 O +ATOM 798 CG1 ILE A 98 -0.249 -11.290 4.196 1.00 0.00 C +ATOM 799 CG2 ILE A 98 -2.032 -12.875 3.370 1.00 0.00 C +ATOM 800 CD1 ILE A 98 -0.317 -11.639 5.676 1.00 0.00 C +ATOM 801 N ALA A 99 -3.850 -10.556 1.416 1.00 0.31 N +ATOM 802 CA ALA A 99 -5.053 -10.870 0.650 1.00 0.31 C +ATOM 803 C ALA A 99 -4.858 -10.559 -0.831 1.00 0.31 C +ATOM 804 CB ALA A 99 -6.250 -10.098 1.200 1.00 0.31 C +ATOM 805 O ALA A 99 -5.127 -11.403 -1.689 1.00 0.31 O +ATOM 806 N GLU A 100 -4.317 -9.396 -1.158 1.00 0.00 N +ATOM 807 CA GLU A 100 -3.980 -8.994 -2.520 1.00 0.00 C +ATOM 808 C GLU A 100 -3.042 -10.003 -3.177 1.00 0.00 C +ATOM 809 CB GLU A 100 -3.345 -7.602 -2.530 1.00 0.00 C +ATOM 810 O GLU A 100 -3.339 -10.525 -4.254 1.00 0.00 O +ATOM 811 CG GLU A 100 -3.021 -7.083 -3.923 1.00 0.00 C +ATOM 812 CD GLU A 100 -2.294 -5.747 -3.912 1.00 0.00 C +ATOM 813 OE1 GLU A 100 -2.238 -5.096 -2.845 1.00 0.00 O +ATOM 814 OE2 GLU A 100 -1.778 -5.349 -4.980 1.00 0.00 O +ATOM 815 N THR A 101 -1.966 -10.334 -2.537 1.00 0.00 N +ATOM 816 CA THR A 101 -0.911 -11.171 -3.099 1.00 0.00 C +ATOM 817 C THR A 101 -1.395 -12.607 -3.275 1.00 0.00 C +ATOM 818 CB THR A 101 0.347 -11.155 -2.212 1.00 0.00 C +ATOM 819 O THR A 101 -1.163 -13.223 -4.317 1.00 0.00 O +ATOM 820 CG2 THR A 101 1.472 -11.972 -2.838 1.00 0.00 C +ATOM 821 OG1 THR A 101 0.790 -9.803 -2.044 1.00 0.00 O +ATOM 822 N LEU A 102 -2.103 -13.175 -2.321 1.00 0.01 N +ATOM 823 CA LEU A 102 -2.570 -14.555 -2.387 1.00 0.01 C +ATOM 824 C LEU A 102 -3.649 -14.714 -3.453 1.00 0.01 C +ATOM 825 CB LEU A 102 -3.109 -15.004 -1.027 1.00 0.01 C +ATOM 826 O LEU A 102 -3.577 -15.622 -4.284 1.00 0.01 O +ATOM 827 CG LEU A 102 -2.069 -15.262 0.064 1.00 0.01 C +ATOM 828 CD1 LEU A 102 -2.755 -15.644 1.372 1.00 0.01 C +ATOM 829 CD2 LEU A 102 -1.095 -16.351 -0.372 1.00 0.01 C +ATOM 830 N ILE A 103 -4.627 -13.821 -3.468 1.00 0.16 N +ATOM 831 CA ILE A 103 -5.731 -13.929 -4.416 1.00 0.16 C +ATOM 832 C ILE A 103 -5.228 -13.639 -5.828 1.00 0.16 C +ATOM 833 CB ILE A 103 -6.885 -12.970 -4.050 1.00 0.16 C +ATOM 834 O ILE A 103 -5.418 -14.448 -6.740 1.00 0.16 O +ATOM 835 CG1 ILE A 103 -7.541 -13.401 -2.732 1.00 0.16 C +ATOM 836 CG2 ILE A 103 -7.916 -12.910 -5.180 1.00 0.16 C +ATOM 837 CD1 ILE A 103 -8.479 -12.360 -2.138 1.00 0.16 C +ATOM 838 N ALA A 104 -4.500 -12.528 -6.063 1.00 0.00 N +ATOM 839 CA ALA A 104 -3.962 -12.150 -7.367 1.00 0.00 C +ATOM 840 C ALA A 104 -3.041 -13.237 -7.915 1.00 0.00 C +ATOM 841 CB ALA A 104 -3.214 -10.823 -7.270 1.00 0.00 C +ATOM 842 O ALA A 104 -3.136 -13.606 -9.088 1.00 0.00 O +ATOM 843 N SER A 105 -2.162 -13.781 -7.093 1.00 0.00 N +ATOM 844 CA SER A 105 -1.188 -14.770 -7.542 1.00 0.00 C +ATOM 845 C SER A 105 -1.849 -16.122 -7.794 1.00 0.00 C +ATOM 846 CB SER A 105 -0.068 -14.925 -6.514 1.00 0.00 C +ATOM 847 O SER A 105 -1.541 -16.796 -8.779 1.00 0.00 O +ATOM 848 OG SER A 105 0.573 -13.683 -6.277 1.00 0.00 O +ATOM 849 N THR A 106 -2.782 -16.569 -6.915 1.00 0.00 N +ATOM 850 CA THR A 106 -3.507 -17.820 -7.109 1.00 0.00 C +ATOM 851 C THR A 106 -4.281 -17.797 -8.424 1.00 0.00 C +ATOM 852 CB THR A 106 -4.477 -18.090 -5.944 1.00 0.00 C +ATOM 853 O THR A 106 -4.132 -18.697 -9.254 1.00 0.00 O +ATOM 854 CG2 THR A 106 -5.225 -19.404 -6.145 1.00 0.00 C +ATOM 855 OG1 THR A 106 -3.737 -18.157 -4.719 1.00 0.00 O +ATOM 856 N ILE A 107 -4.927 -16.740 -8.680 1.00 0.00 N +ATOM 857 CA ILE A 107 -5.748 -16.633 -9.881 1.00 0.00 C +ATOM 858 C ILE A 107 -4.852 -16.451 -11.104 1.00 0.00 C +ATOM 859 CB ILE A 107 -6.755 -15.466 -9.775 1.00 0.00 C +ATOM 860 O ILE A 107 -5.045 -17.113 -12.126 1.00 0.00 O +ATOM 861 CG1 ILE A 107 -7.802 -15.760 -8.694 1.00 0.00 C +ATOM 862 CG2 ILE A 107 -7.424 -15.205 -11.128 1.00 0.00 C +ATOM 863 CD1 ILE A 107 -8.709 -14.579 -8.374 1.00 0.00 C +ATOM 864 N SER A 108 -3.782 -15.651 -11.029 1.00 0.00 N +ATOM 865 CA SER A 108 -2.810 -15.479 -12.104 1.00 0.00 C +ATOM 866 C SER A 108 -2.150 -16.805 -12.469 1.00 0.00 C +ATOM 867 CB SER A 108 -1.741 -14.462 -11.703 1.00 0.00 C +ATOM 868 O SER A 108 -2.034 -17.142 -13.649 1.00 0.00 O +ATOM 869 OG SER A 108 -2.304 -13.169 -11.564 1.00 0.00 O +ATOM 870 N VAL A 109 -1.785 -17.629 -11.515 1.00 7.33 N +ATOM 871 CA VAL A 109 -1.171 -18.936 -11.724 1.00 7.33 C +ATOM 872 C VAL A 109 -2.193 -19.896 -12.330 1.00 7.33 C +ATOM 873 CB VAL A 109 -0.610 -19.517 -10.407 1.00 7.33 C +ATOM 874 O VAL A 109 -1.897 -20.593 -13.304 1.00 7.33 O +ATOM 875 CG1 VAL A 109 -0.239 -20.988 -10.581 1.00 7.33 C +ATOM 876 CG2 VAL A 109 0.600 -18.709 -9.941 1.00 7.33 C +ATOM 877 N VAL A 110 -3.367 -19.925 -11.809 1.00 6.40 N +ATOM 878 CA VAL A 110 -4.434 -20.771 -12.331 1.00 6.40 C +ATOM 879 C VAL A 110 -4.728 -20.397 -13.783 1.00 6.40 C +ATOM 880 CB VAL A 110 -5.719 -20.654 -11.481 1.00 6.40 C +ATOM 881 O VAL A 110 -4.773 -21.266 -14.657 1.00 6.40 O +ATOM 882 CG1 VAL A 110 -6.897 -21.323 -12.187 1.00 6.40 C +ATOM 883 CG2 VAL A 110 -5.501 -21.268 -10.099 1.00 6.40 C +ATOM 884 N ASN A 111 -4.836 -19.082 -14.094 1.00 0.00 N +ATOM 885 CA ASN A 111 -5.066 -18.573 -15.442 1.00 0.00 C +ATOM 886 C ASN A 111 -3.921 -18.940 -16.383 1.00 0.00 C +ATOM 887 CB ASN A 111 -5.266 -17.057 -15.417 1.00 0.00 C +ATOM 888 O ASN A 111 -4.152 -19.288 -17.542 1.00 0.00 O +ATOM 889 CG ASN A 111 -6.659 -16.659 -14.970 1.00 0.00 C +ATOM 890 ND2 ASN A 111 -6.804 -15.421 -14.511 1.00 0.00 N +ATOM 891 OD1 ASN A 111 -7.597 -17.458 -15.035 1.00 0.00 O +ATOM 892 N GLN A 112 -2.671 -18.988 -15.920 1.00 0.00 N +ATOM 893 CA GLN A 112 -1.497 -19.354 -16.705 1.00 0.00 C +ATOM 894 C GLN A 112 -1.468 -20.854 -16.986 1.00 0.00 C +ATOM 895 CB GLN A 112 -0.215 -18.931 -15.985 1.00 0.00 C +ATOM 896 O GLN A 112 -1.063 -21.281 -18.069 1.00 0.00 O +ATOM 897 CG GLN A 112 0.089 -17.443 -16.095 1.00 0.00 C +ATOM 898 CD GLN A 112 1.332 -17.039 -15.325 1.00 0.00 C +ATOM 899 NE2 GLN A 112 1.386 -15.780 -14.904 1.00 0.00 N +ATOM 900 OE1 GLN A 112 2.236 -17.853 -15.108 1.00 0.00 O +ATOM 901 N ILE A 113 -1.880 -21.750 -15.986 1.00 0.00 N +ATOM 902 CA ILE A 113 -1.822 -23.205 -16.078 1.00 0.00 C +ATOM 903 C ILE A 113 -2.960 -23.712 -16.961 1.00 0.00 C +ATOM 904 CB ILE A 113 -1.894 -23.862 -14.681 1.00 0.00 C +ATOM 905 O ILE A 113 -2.744 -24.542 -17.847 1.00 0.00 O +ATOM 906 CG1 ILE A 113 -0.597 -23.608 -13.904 1.00 0.00 C +ATOM 907 CG2 ILE A 113 -2.174 -25.363 -14.804 1.00 0.00 C +ATOM 908 CD1 ILE A 113 -0.675 -23.981 -12.430 1.00 0.00 C +ATOM 909 N TYR A 114 -4.113 -23.216 -16.766 1.00 0.03 N +ATOM 910 CA TYR A 114 -5.301 -23.817 -17.363 1.00 0.03 C +ATOM 911 C TYR A 114 -5.761 -23.022 -18.580 1.00 0.03 C +ATOM 912 CB TYR A 114 -6.434 -23.902 -16.337 1.00 0.03 C +ATOM 913 O TYR A 114 -6.640 -23.465 -19.323 1.00 0.03 O +ATOM 914 CG TYR A 114 -6.164 -24.873 -15.213 1.00 0.03 C +ATOM 915 CD1 TYR A 114 -6.178 -26.248 -15.436 1.00 0.03 C +ATOM 916 CD2 TYR A 114 -5.894 -24.418 -13.927 1.00 0.03 C +ATOM 917 CE1 TYR A 114 -5.931 -27.146 -14.403 1.00 0.03 C +ATOM 918 CE2 TYR A 114 -5.646 -25.307 -12.887 1.00 0.03 C +ATOM 919 OH TYR A 114 -5.421 -27.552 -12.108 1.00 0.03 O +ATOM 920 CZ TYR A 114 -5.666 -26.667 -13.134 1.00 0.03 C +ATOM 921 N GLY A 115 -4.967 -21.992 -18.874 1.00 0.00 N +ATOM 922 CA GLY A 115 -5.522 -21.040 -19.824 1.00 0.00 C +ATOM 923 C GLY A 115 -6.804 -20.390 -19.338 1.00 0.00 C +ATOM 924 O GLY A 115 -7.497 -20.939 -18.479 1.00 0.00 O +ATOM 925 N TYR A 116 -7.140 -19.158 -19.655 1.00 0.00 N +ATOM 926 CA TYR A 116 -8.206 -18.275 -19.194 1.00 0.00 C +ATOM 927 C TYR A 116 -9.560 -18.972 -19.264 1.00 0.00 C +ATOM 928 CB TYR A 116 -8.237 -16.989 -20.026 1.00 0.00 C +ATOM 929 O TYR A 116 -10.461 -18.671 -18.478 1.00 0.00 O +ATOM 930 CG TYR A 116 -7.366 -15.888 -19.474 1.00 0.00 C +ATOM 931 CD1 TYR A 116 -7.825 -15.053 -18.458 1.00 0.00 C +ATOM 932 CD2 TYR A 116 -6.082 -15.678 -19.967 1.00 0.00 C +ATOM 933 CE1 TYR A 116 -7.027 -14.035 -17.947 1.00 0.00 C +ATOM 934 CE2 TYR A 116 -5.275 -14.664 -19.464 1.00 0.00 C +ATOM 935 OH TYR A 116 -4.960 -12.843 -17.953 1.00 0.00 O +ATOM 936 CZ TYR A 116 -5.755 -13.849 -18.455 1.00 0.00 C +ATOM 937 N PHE A 117 -9.688 -19.789 -20.167 1.00 0.00 N +ATOM 938 CA PHE A 117 -10.986 -20.302 -20.589 1.00 0.00 C +ATOM 939 C PHE A 117 -11.661 -21.066 -19.455 1.00 0.00 C +ATOM 940 CB PHE A 117 -10.836 -21.207 -21.816 1.00 0.00 C +ATOM 941 O PHE A 117 -12.889 -21.156 -19.405 1.00 0.00 O +ATOM 942 CG PHE A 117 -10.743 -20.455 -23.116 1.00 0.00 C +ATOM 943 CD1 PHE A 117 -11.888 -19.983 -23.746 1.00 0.00 C +ATOM 944 CD2 PHE A 117 -9.509 -20.221 -23.709 1.00 0.00 C +ATOM 945 CE1 PHE A 117 -11.804 -19.287 -24.950 1.00 0.00 C +ATOM 946 CE2 PHE A 117 -9.417 -19.526 -24.912 1.00 0.00 C +ATOM 947 CZ PHE A 117 -10.566 -19.061 -25.531 1.00 0.00 C +ATOM 948 N ILE A 118 -10.895 -21.566 -18.470 1.00 0.00 N +ATOM 949 CA ILE A 118 -11.544 -22.515 -17.573 1.00 0.00 C +ATOM 950 C ILE A 118 -12.245 -21.763 -16.443 1.00 0.00 C +ATOM 951 CB ILE A 118 -10.532 -23.529 -16.994 1.00 0.00 C +ATOM 952 O ILE A 118 -13.350 -22.129 -16.037 1.00 0.00 O +ATOM 953 CG1 ILE A 118 -9.964 -24.413 -18.110 1.00 0.00 C +ATOM 954 CG2 ILE A 118 -11.185 -24.380 -15.901 1.00 0.00 C +ATOM 955 CD1 ILE A 118 -8.880 -25.376 -17.646 1.00 0.00 C +ATOM 956 N LEU A 119 -11.664 -20.687 -15.961 1.00 0.00 N +ATOM 957 CA LEU A 119 -12.290 -20.134 -14.764 1.00 0.00 C +ATOM 958 C LEU A 119 -13.266 -19.020 -15.127 1.00 0.00 C +ATOM 959 CB LEU A 119 -11.226 -19.602 -13.800 1.00 0.00 C +ATOM 960 O LEU A 119 -14.098 -18.626 -14.307 1.00 0.00 O +ATOM 961 CG LEU A 119 -10.359 -20.651 -13.102 1.00 0.00 C +ATOM 962 CD1 LEU A 119 -9.219 -19.977 -12.345 1.00 0.00 C +ATOM 963 CD2 LEU A 119 -11.203 -21.503 -12.161 1.00 0.00 C +ATOM 964 N GLY A 120 -13.306 -18.589 -16.406 1.00 0.00 N +ATOM 965 CA GLY A 120 -14.291 -17.701 -17.004 1.00 0.00 C +ATOM 966 C GLY A 120 -14.257 -16.298 -16.427 1.00 0.00 C +ATOM 967 O GLY A 120 -13.470 -16.012 -15.522 1.00 0.00 O +ATOM 968 N HIS A 121 -15.135 -15.380 -16.845 1.00 0.00 N +ATOM 969 CA HIS A 121 -15.293 -13.951 -16.601 1.00 0.00 C +ATOM 970 C HIS A 121 -15.529 -13.667 -15.122 1.00 0.00 C +ATOM 971 CB HIS A 121 -16.446 -13.389 -17.434 1.00 0.00 C +ATOM 972 O HIS A 121 -14.967 -12.718 -14.570 1.00 0.00 O +ATOM 973 CG HIS A 121 -16.599 -11.905 -17.323 1.00 0.00 C +ATOM 974 CD2 HIS A 121 -16.079 -10.900 -18.067 1.00 0.00 C +ATOM 975 ND1 HIS A 121 -17.365 -11.307 -16.347 1.00 0.00 N +ATOM 976 CE1 HIS A 121 -17.311 -9.994 -16.496 1.00 0.00 C +ATOM 977 NE2 HIS A 121 -16.537 -9.721 -17.532 1.00 0.00 N +ATOM 978 N PRO A 122 -16.152 -14.604 -14.271 1.00 0.00 N +ATOM 979 CA PRO A 122 -16.450 -14.270 -12.876 1.00 0.00 C +ATOM 980 C PRO A 122 -15.204 -14.251 -11.994 1.00 0.00 C +ATOM 981 CB PRO A 122 -17.409 -15.383 -12.444 1.00 0.00 C +ATOM 982 O PRO A 122 -15.051 -13.361 -11.154 1.00 0.00 O +ATOM 983 CG PRO A 122 -18.098 -15.802 -13.702 1.00 0.00 C +ATOM 984 CD PRO A 122 -17.112 -15.733 -14.833 1.00 0.00 C +ATOM 985 N LEU A 123 -14.227 -15.120 -12.122 1.00 3.87 N +ATOM 986 CA LEU A 123 -13.019 -15.140 -11.305 1.00 3.87 C +ATOM 987 C LEU A 123 -12.104 -13.972 -11.660 1.00 3.87 C +ATOM 988 CB LEU A 123 -12.270 -16.463 -11.487 1.00 3.87 C +ATOM 989 O LEU A 123 -11.434 -13.416 -10.787 1.00 3.87 O +ATOM 990 CG LEU A 123 -12.906 -17.696 -10.842 1.00 3.87 C +ATOM 991 CD1 LEU A 123 -12.072 -18.938 -11.137 1.00 3.87 C +ATOM 992 CD2 LEU A 123 -13.061 -17.493 -9.339 1.00 3.87 C +ATOM 993 N CYS A 124 -12.182 -13.559 -12.909 1.00 0.00 N +ATOM 994 CA CYS A 124 -11.454 -12.370 -13.338 1.00 0.00 C +ATOM 995 C CYS A 124 -12.016 -11.118 -12.675 1.00 0.00 C +ATOM 996 CB CYS A 124 -11.513 -12.223 -14.858 1.00 0.00 C +ATOM 997 O CYS A 124 -11.260 -10.255 -12.225 1.00 0.00 O +ATOM 998 SG CYS A 124 -10.475 -10.893 -15.502 1.00 0.00 S +ATOM 999 N ILE A 125 -13.270 -11.072 -12.595 1.00 0.00 N +ATOM 1000 CA ILE A 125 -13.944 -9.981 -11.900 1.00 0.00 C +ATOM 1001 C ILE A 125 -13.594 -10.022 -10.414 1.00 0.00 C +ATOM 1002 CB ILE A 125 -15.476 -10.050 -12.092 1.00 0.00 C +ATOM 1003 O ILE A 125 -13.226 -9.001 -9.829 1.00 0.00 O +ATOM 1004 CG1 ILE A 125 -15.844 -9.766 -13.553 1.00 0.00 C +ATOM 1005 CG2 ILE A 125 -16.182 -9.072 -11.149 1.00 0.00 C +ATOM 1006 CD1 ILE A 125 -17.308 -10.024 -13.883 1.00 0.00 C +ATOM 1007 N ILE A 126 -13.630 -11.196 -9.841 1.00 0.89 N +ATOM 1008 CA ILE A 126 -13.318 -11.372 -8.427 1.00 0.89 C +ATOM 1009 C ILE A 126 -11.856 -11.011 -8.172 1.00 0.89 C +ATOM 1010 CB ILE A 126 -13.603 -12.817 -7.960 1.00 0.89 C +ATOM 1011 O ILE A 126 -11.545 -10.285 -7.225 1.00 0.89 O +ATOM 1012 CG1 ILE A 126 -15.113 -13.078 -7.922 1.00 0.89 C +ATOM 1013 CG2 ILE A 126 -12.966 -13.078 -6.592 1.00 0.89 C +ATOM 1014 CD1 ILE A 126 -15.484 -14.550 -7.807 1.00 0.89 C +ATOM 1015 N GLU A 127 -10.909 -11.410 -9.008 1.00 0.00 N +ATOM 1016 CA GLU A 127 -9.500 -11.040 -8.915 1.00 0.00 C +ATOM 1017 C GLU A 127 -9.320 -9.527 -9.011 1.00 0.00 C +ATOM 1018 CB GLU A 127 -8.688 -11.737 -10.009 1.00 0.00 C +ATOM 1019 O GLU A 127 -8.793 -8.900 -8.090 1.00 0.00 O +ATOM 1020 CG GLU A 127 -7.193 -11.460 -9.936 1.00 0.00 C +ATOM 1021 CD GLU A 127 -6.429 -11.969 -11.148 1.00 0.00 C +ATOM 1022 OE1 GLU A 127 -7.053 -12.573 -12.050 1.00 0.00 O +ATOM 1023 OE2 GLU A 127 -5.196 -11.763 -11.196 1.00 0.00 O +ATOM 1024 N GLY A 128 -9.786 -8.952 -10.114 1.00 0.00 N +ATOM 1025 CA GLY A 128 -9.641 -7.524 -10.344 1.00 0.00 C +ATOM 1026 C GLY A 128 -10.230 -6.677 -9.231 1.00 0.00 C +ATOM 1027 O GLY A 128 -9.591 -5.737 -8.755 1.00 0.00 O +ATOM 1028 N TYR A 129 -11.372 -7.090 -8.786 1.00 0.00 N +ATOM 1029 CA TYR A 129 -12.032 -6.424 -7.668 1.00 0.00 C +ATOM 1030 C TYR A 129 -11.208 -6.551 -6.393 1.00 0.00 C +ATOM 1031 CB TYR A 129 -13.432 -7.006 -7.446 1.00 0.00 C +ATOM 1032 O TYR A 129 -10.935 -5.554 -5.720 1.00 0.00 O +ATOM 1033 CG TYR A 129 -14.176 -6.372 -6.296 1.00 0.00 C +ATOM 1034 CD1 TYR A 129 -14.938 -5.221 -6.484 1.00 0.00 C +ATOM 1035 CD2 TYR A 129 -14.119 -6.922 -5.020 1.00 0.00 C +ATOM 1036 CE1 TYR A 129 -15.625 -4.633 -5.427 1.00 0.00 C +ATOM 1037 CE2 TYR A 129 -14.802 -6.342 -3.956 1.00 0.00 C +ATOM 1038 OH TYR A 129 -16.229 -4.621 -3.119 1.00 0.00 O +ATOM 1039 CZ TYR A 129 -15.551 -5.200 -4.169 1.00 0.00 C +ATOM 1040 N THR A 130 -10.799 -7.704 -6.022 1.00 5.84 N +ATOM 1041 CA THR A 130 -10.076 -7.945 -4.779 1.00 5.84 C +ATOM 1042 C THR A 130 -8.712 -7.261 -4.806 1.00 5.84 C +ATOM 1043 CB THR A 130 -9.893 -9.452 -4.521 1.00 5.84 C +ATOM 1044 O THR A 130 -8.335 -6.578 -3.851 1.00 5.84 O +ATOM 1045 CG2 THR A 130 -9.215 -9.702 -3.179 1.00 5.84 C +ATOM 1046 OG1 THR A 130 -11.176 -10.090 -4.522 1.00 5.84 O +ATOM 1047 N VAL A 131 -7.983 -7.290 -5.903 1.00 0.00 N +ATOM 1048 CA VAL A 131 -6.679 -6.657 -6.074 1.00 0.00 C +ATOM 1049 C VAL A 131 -6.824 -5.140 -5.977 1.00 0.00 C +ATOM 1050 CB VAL A 131 -6.031 -7.046 -7.422 1.00 0.00 C +ATOM 1051 O VAL A 131 -6.083 -4.486 -5.240 1.00 0.00 O +ATOM 1052 CG1 VAL A 131 -4.804 -6.181 -7.701 1.00 0.00 C +ATOM 1053 CG2 VAL A 131 -5.657 -8.527 -7.425 1.00 0.00 C +ATOM 1054 N ALA A 132 -7.821 -4.600 -6.611 1.00 4.66 N +ATOM 1055 CA ALA A 132 -8.059 -3.160 -6.570 1.00 4.66 C +ATOM 1056 C ALA A 132 -8.492 -2.715 -5.176 1.00 4.66 C +ATOM 1057 CB ALA A 132 -9.113 -2.766 -7.602 1.00 4.66 C +ATOM 1058 O ALA A 132 -7.938 -1.763 -4.622 1.00 4.66 O +ATOM 1059 N ALA A 133 -9.424 -3.453 -4.563 1.00 0.00 N +ATOM 1060 CA ALA A 133 -9.935 -3.110 -3.238 1.00 0.00 C +ATOM 1061 C ALA A 133 -8.830 -3.187 -2.188 1.00 0.00 C +ATOM 1062 CB ALA A 133 -11.091 -4.033 -2.858 1.00 0.00 C +ATOM 1063 O ALA A 133 -8.648 -2.255 -1.400 1.00 0.00 O +ATOM 1064 N CYS A 134 -8.016 -4.235 -2.188 1.00 0.00 N +ATOM 1065 CA CYS A 134 -6.904 -4.417 -1.262 1.00 0.00 C +ATOM 1066 C CYS A 134 -5.807 -3.390 -1.518 1.00 0.00 C +ATOM 1067 CB CYS A 134 -6.331 -5.829 -1.383 1.00 0.00 C +ATOM 1068 O CYS A 134 -5.300 -2.771 -0.581 1.00 0.00 O +ATOM 1069 SG CYS A 134 -7.441 -7.119 -0.780 1.00 0.00 S +ATOM 1070 N GLY A 135 -5.458 -3.109 -2.799 1.00 0.00 N +ATOM 1071 CA GLY A 135 -4.489 -2.086 -3.158 1.00 0.00 C +ATOM 1072 C GLY A 135 -4.905 -0.693 -2.725 1.00 0.00 C +ATOM 1073 O GLY A 135 -4.112 0.041 -2.132 1.00 0.00 O +ATOM 1074 N ILE A 136 -6.169 -0.328 -2.898 1.00 0.00 N +ATOM 1075 CA ILE A 136 -6.730 0.948 -2.468 1.00 0.00 C +ATOM 1076 C ILE A 136 -6.764 1.009 -0.943 1.00 0.00 C +ATOM 1077 CB ILE A 136 -8.146 1.166 -3.046 1.00 0.00 C +ATOM 1078 O ILE A 136 -6.362 2.011 -0.346 1.00 0.00 O +ATOM 1079 CG1 ILE A 136 -8.078 1.376 -4.563 1.00 0.00 C +ATOM 1080 CG2 ILE A 136 -8.833 2.350 -2.359 1.00 0.00 C +ATOM 1081 CD1 ILE A 136 -9.432 1.321 -5.256 1.00 0.00 C +ATOM 1082 N ALA A 137 -7.164 -0.073 -0.292 1.00 0.00 N +ATOM 1083 CA ALA A 137 -7.167 -0.147 1.167 1.00 0.00 C +ATOM 1084 C ALA A 137 -5.756 0.006 1.726 1.00 0.00 C +ATOM 1085 CB ALA A 137 -7.781 -1.465 1.632 1.00 0.00 C +ATOM 1086 O ALA A 137 -5.541 0.740 2.694 1.00 0.00 O +ATOM 1087 N GLY A 138 -4.782 -0.616 1.126 1.00 0.00 N +ATOM 1088 CA GLY A 138 -3.381 -0.453 1.482 1.00 0.00 C +ATOM 1089 C GLY A 138 -2.892 0.976 1.343 1.00 0.00 C +ATOM 1090 O GLY A 138 -2.303 1.529 2.273 1.00 0.00 O +ATOM 1091 N LEU A 139 -3.271 1.626 0.285 1.00 0.00 N +ATOM 1092 CA LEU A 139 -2.846 2.995 0.013 1.00 0.00 C +ATOM 1093 C LEU A 139 -3.480 3.968 1.002 1.00 0.00 C +ATOM 1094 CB LEU A 139 -3.211 3.395 -1.419 1.00 0.00 C +ATOM 1095 O LEU A 139 -2.794 4.827 1.560 1.00 0.00 O +ATOM 1096 CG LEU A 139 -2.799 4.802 -1.856 1.00 0.00 C +ATOM 1097 CD1 LEU A 139 -1.294 4.988 -1.691 1.00 0.00 C +ATOM 1098 CD2 LEU A 139 -3.219 5.059 -3.299 1.00 0.00 C +ATOM 1099 N TRP A 140 -4.685 3.813 1.244 1.00 0.00 N +ATOM 1100 CA TRP A 140 -5.381 4.671 2.197 1.00 0.00 C +ATOM 1101 C TRP A 140 -4.945 4.363 3.626 1.00 0.00 C +ATOM 1102 CB TRP A 140 -6.898 4.502 2.066 1.00 0.00 C +ATOM 1103 O TRP A 140 -4.912 5.255 4.477 1.00 0.00 O +ATOM 1104 CG TRP A 140 -7.513 5.344 0.989 1.00 0.00 C +ATOM 1105 CD1 TRP A 140 -7.903 4.934 -0.256 1.00 0.00 C +ATOM 1106 CD2 TRP A 140 -7.804 6.743 1.061 1.00 0.00 C +ATOM 1107 CE2 TRP A 140 -8.372 7.116 -0.178 1.00 0.00 C +ATOM 1108 CE3 TRP A 140 -7.642 7.718 2.054 1.00 0.00 C +ATOM 1109 NE1 TRP A 140 -8.421 5.995 -0.962 1.00 0.00 N +ATOM 1110 CH2 TRP A 140 -8.607 9.359 0.539 1.00 0.00 C +ATOM 1111 CZ2 TRP A 140 -8.777 8.425 -0.450 1.00 0.00 C +ATOM 1112 CZ3 TRP A 140 -8.046 9.020 1.781 1.00 0.00 C +ATOM 1113 N SER A 141 -4.488 3.139 3.958 1.00 0.00 N +ATOM 1114 CA SER A 141 -3.846 2.821 5.230 1.00 0.00 C +ATOM 1115 C SER A 141 -2.557 3.616 5.413 1.00 0.00 C +ATOM 1116 CB SER A 141 -3.548 1.324 5.321 1.00 0.00 C +ATOM 1117 O SER A 141 -2.334 4.212 6.468 1.00 0.00 O +ATOM 1118 OG SER A 141 -4.749 0.571 5.311 1.00 0.00 O +ATOM 1119 N LEU A 142 -1.773 3.751 4.405 1.00 0.00 N +ATOM 1120 CA LEU A 142 -0.560 4.560 4.436 1.00 0.00 C +ATOM 1121 C LEU A 142 -0.896 6.037 4.611 1.00 0.00 C +ATOM 1122 CB LEU A 142 0.252 4.359 3.154 1.00 0.00 C +ATOM 1123 O LEU A 142 -0.184 6.762 5.310 1.00 0.00 O +ATOM 1124 CG LEU A 142 0.901 2.986 2.971 1.00 0.00 C +ATOM 1125 CD1 LEU A 142 1.514 2.871 1.579 1.00 0.00 C +ATOM 1126 CD2 LEU A 142 1.954 2.744 4.046 1.00 0.00 C +ATOM 1127 N THR A 143 -1.985 6.524 4.029 1.00 0.00 N +ATOM 1128 CA THR A 143 -2.484 7.884 4.200 1.00 0.00 C +ATOM 1129 C THR A 143 -2.874 8.138 5.654 1.00 0.00 C +ATOM 1130 CB THR A 143 -3.694 8.154 3.287 1.00 0.00 C +ATOM 1131 O THR A 143 -2.479 9.148 6.240 1.00 0.00 O +ATOM 1132 CG2 THR A 143 -4.148 9.606 3.391 1.00 0.00 C +ATOM 1133 OG1 THR A 143 -3.332 7.874 1.929 1.00 0.00 O +ATOM 1134 N VAL A 144 -3.539 7.199 6.304 1.00 0.00 N +ATOM 1135 CA VAL A 144 -3.953 7.299 7.700 1.00 0.00 C +ATOM 1136 C VAL A 144 -2.724 7.274 8.606 1.00 0.00 C +ATOM 1137 CB VAL A 144 -4.924 6.161 8.087 1.00 0.00 C +ATOM 1138 O VAL A 144 -2.639 8.040 9.569 1.00 0.00 O +ATOM 1139 CG1 VAL A 144 -5.260 6.222 9.577 1.00 0.00 C +ATOM 1140 CG2 VAL A 144 -6.197 6.237 7.246 1.00 0.00 C +ATOM 1141 N ILE A 145 -1.696 6.463 8.290 1.00 0.00 N +ATOM 1142 CA ILE A 145 -0.423 6.437 9.002 1.00 0.00 C +ATOM 1143 C ILE A 145 0.259 7.799 8.888 1.00 0.00 C +ATOM 1144 CB ILE A 145 0.505 5.326 8.462 1.00 0.00 C +ATOM 1145 O ILE A 145 0.725 8.352 9.887 1.00 0.00 O +ATOM 1146 CG1 ILE A 145 -0.032 3.945 8.855 1.00 0.00 C +ATOM 1147 CG2 ILE A 145 1.936 5.523 8.971 1.00 0.00 C +ATOM 1148 CD1 ILE A 145 0.597 2.794 8.082 1.00 0.00 C +ATOM 1149 N SER A 146 0.290 8.387 7.722 1.00 0.00 N +ATOM 1150 CA SER A 146 0.904 9.686 7.466 1.00 0.00 C +ATOM 1151 C SER A 146 0.170 10.800 8.205 1.00 0.00 C +ATOM 1152 CB SER A 146 0.924 9.984 5.967 1.00 0.00 C +ATOM 1153 O SER A 146 0.799 11.677 8.801 1.00 0.00 O +ATOM 1154 OG SER A 146 1.625 8.974 5.262 1.00 0.00 O +ATOM 1155 N TRP A 147 -1.150 10.742 8.234 1.00 0.00 N +ATOM 1156 CA TRP A 147 -2.015 11.675 8.948 1.00 0.00 C +ATOM 1157 C TRP A 147 -1.807 11.565 10.455 1.00 0.00 C +ATOM 1158 CB TRP A 147 -3.484 11.418 8.603 1.00 0.00 C +ATOM 1159 O TRP A 147 -1.659 12.578 11.143 1.00 0.00 O +ATOM 1160 CG TRP A 147 -4.438 12.377 9.250 1.00 0.00 C +ATOM 1161 CD1 TRP A 147 -5.173 12.169 10.384 1.00 0.00 C +ATOM 1162 CD2 TRP A 147 -4.764 13.694 8.796 1.00 0.00 C +ATOM 1163 CE2 TRP A 147 -5.704 14.229 9.706 1.00 0.00 C +ATOM 1164 CE3 TRP A 147 -4.351 14.476 7.709 1.00 0.00 C +ATOM 1165 NE1 TRP A 147 -5.936 13.279 10.664 1.00 0.00 N +ATOM 1166 CH2 TRP A 147 -5.817 16.255 8.487 1.00 0.00 C +ATOM 1167 CZ2 TRP A 147 -6.238 15.512 9.559 1.00 0.00 C +ATOM 1168 CZ3 TRP A 147 -4.884 15.752 7.566 1.00 0.00 C +ATOM 1169 N GLU A 148 -1.693 10.399 11.034 1.00 0.00 N +ATOM 1170 CA GLU A 148 -1.346 10.168 12.433 1.00 0.00 C +ATOM 1171 C GLU A 148 0.003 10.794 12.778 1.00 0.00 C +ATOM 1172 CB GLU A 148 -1.324 8.669 12.742 1.00 0.00 C +ATOM 1173 O GLU A 148 0.109 11.567 13.732 1.00 0.00 O +ATOM 1174 CG GLU A 148 -1.024 8.345 14.198 1.00 0.00 C +ATOM 1175 CD GLU A 148 0.464 8.285 14.505 1.00 0.00 C +ATOM 1176 OE1 GLU A 148 1.270 8.087 13.567 1.00 0.00 O +ATOM 1177 OE2 GLU A 148 0.827 8.436 15.693 1.00 0.00 O +ATOM 1178 N ARG A 149 1.063 10.541 11.993 1.00 0.00 N +ATOM 1179 CA ARG A 149 2.392 11.105 12.201 1.00 0.00 C +ATOM 1180 C ARG A 149 2.350 12.629 12.182 1.00 0.00 C +ATOM 1181 CB ARG A 149 3.366 10.594 11.137 1.00 0.00 C +ATOM 1182 O ARG A 149 2.947 13.283 13.040 1.00 0.00 O +ATOM 1183 CG ARG A 149 3.725 9.124 11.284 1.00 0.00 C +ATOM 1184 CD ARG A 149 4.438 8.847 12.600 1.00 0.00 C +ATOM 1185 NE ARG A 149 4.679 7.420 12.793 1.00 0.00 N +ATOM 1186 NH1 ARG A 149 5.396 7.625 14.979 1.00 0.00 N +ATOM 1187 NH2 ARG A 149 5.312 5.561 13.984 1.00 0.00 N +ATOM 1188 CZ ARG A 149 5.128 6.872 13.918 1.00 0.00 C +ATOM 1189 N TRP A 150 1.603 13.183 11.253 1.00 0.00 N +ATOM 1190 CA TRP A 150 1.438 14.629 11.148 1.00 0.00 C +ATOM 1191 C TRP A 150 0.768 15.192 12.397 1.00 0.00 C +ATOM 1192 CB TRP A 150 0.616 14.988 9.907 1.00 0.00 C +ATOM 1193 O TRP A 150 1.243 16.174 12.974 1.00 0.00 O +ATOM 1194 CG TRP A 150 0.238 16.436 9.825 1.00 0.00 C +ATOM 1195 CD1 TRP A 150 1.072 17.493 9.589 1.00 0.00 C +ATOM 1196 CD2 TRP A 150 -1.073 16.987 9.983 1.00 0.00 C +ATOM 1197 CE2 TRP A 150 -0.960 18.387 9.830 1.00 0.00 C +ATOM 1198 CE3 TRP A 150 -2.334 16.433 10.239 1.00 0.00 C +ATOM 1199 NE1 TRP A 150 0.358 18.669 9.591 1.00 0.00 N +ATOM 1200 CH2 TRP A 150 -3.284 18.672 10.176 1.00 0.00 C +ATOM 1201 CZ2 TRP A 150 -2.062 19.240 9.925 1.00 0.00 C +ATOM 1202 CZ3 TRP A 150 -3.430 17.284 10.333 1.00 0.00 C +ATOM 1203 N ILE A 151 -0.281 14.618 12.941 1.00 0.00 N +ATOM 1204 CA ILE A 151 -0.983 15.038 14.149 1.00 0.00 C +ATOM 1205 C ILE A 151 -0.043 14.952 15.349 1.00 0.00 C +ATOM 1206 CB ILE A 151 -2.245 14.181 14.395 1.00 0.00 C +ATOM 1207 O ILE A 151 0.088 15.912 16.113 1.00 0.00 O +ATOM 1208 CG1 ILE A 151 -3.327 14.514 13.361 1.00 0.00 C +ATOM 1209 CG2 ILE A 151 -2.768 14.387 15.820 1.00 0.00 C +ATOM 1210 CD1 ILE A 151 -4.495 13.538 13.351 1.00 0.00 C +ATOM 1211 N VAL A 152 0.698 13.884 15.523 1.00 0.00 N +ATOM 1212 CA VAL A 152 1.548 13.607 16.675 1.00 0.00 C +ATOM 1213 C VAL A 152 2.741 14.560 16.679 1.00 0.00 C +ATOM 1214 CB VAL A 152 2.037 12.141 16.680 1.00 0.00 C +ATOM 1215 O VAL A 152 3.120 15.087 17.727 1.00 0.00 O +ATOM 1216 CG1 VAL A 152 3.134 11.941 17.725 1.00 0.00 C +ATOM 1217 CG2 VAL A 152 0.870 11.191 16.938 1.00 0.00 C +ATOM 1218 N VAL A 153 3.325 14.884 15.542 1.00 0.00 N +ATOM 1219 CA VAL A 153 4.564 15.649 15.447 1.00 0.00 C +ATOM 1220 C VAL A 153 4.244 17.138 15.336 1.00 0.00 C +ATOM 1221 CB VAL A 153 5.419 15.197 14.242 1.00 0.00 C +ATOM 1222 O VAL A 153 4.888 17.967 15.984 1.00 0.00 O +ATOM 1223 CG1 VAL A 153 6.623 16.119 14.059 1.00 0.00 C +ATOM 1224 CG2 VAL A 153 5.873 13.750 14.424 1.00 0.00 C +ATOM 1225 N CYS A 154 3.292 17.571 14.472 1.00 0.00 N +ATOM 1226 CA CYS A 154 3.046 18.969 14.137 1.00 0.00 C +ATOM 1227 C CYS A 154 2.107 19.615 15.149 1.00 0.00 C +ATOM 1228 CB CYS A 154 2.457 19.088 12.732 1.00 0.00 C +ATOM 1229 O CYS A 154 2.069 20.841 15.273 1.00 0.00 O +ATOM 1230 SG CYS A 154 3.583 18.557 11.423 1.00 0.00 S +ATOM 1231 N LYS A 155 1.322 18.902 15.727 1.00 0.00 N +ATOM 1232 CA LYS A 155 0.368 19.504 16.654 1.00 0.00 C +ATOM 1233 C LYS A 155 0.687 19.121 18.096 1.00 0.00 C +ATOM 1234 CB LYS A 155 -1.060 19.084 16.303 1.00 0.00 C +ATOM 1235 O LYS A 155 -0.184 18.636 18.822 1.00 0.00 O +ATOM 1236 CG LYS A 155 -1.586 19.694 15.013 1.00 0.00 C +ATOM 1237 CD LYS A 155 -3.095 19.524 14.888 1.00 0.00 C +ATOM 1238 CE LYS A 155 -3.632 20.193 13.630 1.00 0.00 C +ATOM 1239 NZ LYS A 155 -5.106 20.003 13.487 1.00 0.00 N +ATOM 1240 N PRO A 156 2.043 19.371 18.395 1.00 0.00 N +ATOM 1241 CA PRO A 156 2.412 18.998 19.763 1.00 0.00 C +ATOM 1242 C PRO A 156 1.671 19.816 20.818 1.00 0.00 C +ATOM 1243 CB PRO A 156 3.916 19.278 19.812 1.00 0.00 C +ATOM 1244 O PRO A 156 1.580 19.400 21.976 1.00 0.00 O +ATOM 1245 CG PRO A 156 4.149 20.301 18.747 1.00 0.00 C +ATOM 1246 CD PRO A 156 3.147 20.084 17.650 1.00 0.00 C +ATOM 1247 N PHE A 157 1.038 20.928 20.299 1.00 0.00 N +ATOM 1248 CA PHE A 157 0.376 21.793 21.268 1.00 0.00 C +ATOM 1249 C PHE A 157 -1.103 21.442 21.385 1.00 0.00 C +ATOM 1250 CB PHE A 157 0.536 23.265 20.874 1.00 0.00 C +ATOM 1251 O PHE A 157 -1.805 21.971 22.250 1.00 0.00 O +ATOM 1252 CG PHE A 157 1.962 23.747 20.896 1.00 0.00 C +ATOM 1253 CD1 PHE A 157 2.623 23.950 22.102 1.00 0.00 C +ATOM 1254 CD2 PHE A 157 2.641 23.997 19.711 1.00 0.00 C +ATOM 1255 CE1 PHE A 157 3.942 24.396 22.125 1.00 0.00 C +ATOM 1256 CE2 PHE A 157 3.959 24.443 19.727 1.00 0.00 C +ATOM 1257 CZ PHE A 157 4.608 24.643 20.935 1.00 0.00 C +ATOM 1258 N GLY A 158 -1.506 20.397 20.780 1.00 0.00 N +ATOM 1259 CA GLY A 158 -2.861 19.879 20.872 1.00 0.00 C +ATOM 1260 C GLY A 158 -2.943 18.544 21.589 1.00 0.00 C +ATOM 1261 O GLY A 158 -2.181 17.624 21.286 1.00 0.00 O +ATOM 1262 N ASN A 159 -3.644 18.472 22.792 1.00 0.00 N +ATOM 1263 CA ASN A 159 -4.068 17.275 23.510 1.00 0.00 C +ATOM 1264 C ASN A 159 -4.680 16.242 22.567 1.00 0.00 C +ATOM 1265 CB ASN A 159 -5.061 17.636 24.617 1.00 0.00 C +ATOM 1266 O ASN A 159 -5.422 15.360 23.003 1.00 0.00 O +ATOM 1267 CG ASN A 159 -4.400 18.339 25.787 1.00 0.00 C +ATOM 1268 ND2 ASN A 159 -5.179 19.116 26.529 1.00 0.00 N +ATOM 1269 OD1 ASN A 159 -3.199 18.184 26.021 1.00 0.00 O +ATOM 1270 N VAL A 160 -4.560 16.395 21.225 1.00 0.00 N +ATOM 1271 CA VAL A 160 -5.146 15.389 20.345 1.00 0.00 C +ATOM 1272 C VAL A 160 -4.287 14.127 20.358 1.00 0.00 C +ATOM 1273 CB VAL A 160 -5.297 15.917 18.901 1.00 0.00 C +ATOM 1274 O VAL A 160 -3.257 14.063 19.683 1.00 0.00 O +ATOM 1275 CG1 VAL A 160 -5.990 14.882 18.017 1.00 0.00 C +ATOM 1276 CG2 VAL A 160 -6.069 17.235 18.892 1.00 0.00 C +ATOM 1277 N LYS A 161 -4.736 13.171 21.127 1.00 0.00 N +ATOM 1278 CA LYS A 161 -4.208 11.810 21.114 1.00 0.00 C +ATOM 1279 C LYS A 161 -4.825 10.991 19.984 1.00 0.00 C +ATOM 1280 CB LYS A 161 -4.462 11.123 22.457 1.00 0.00 C +ATOM 1281 O LYS A 161 -6.049 10.879 19.888 1.00 0.00 O +ATOM 1282 CG LYS A 161 -3.703 11.742 23.622 1.00 0.00 C +ATOM 1283 CD LYS A 161 -3.940 10.973 24.915 1.00 0.00 C +ATOM 1284 CE LYS A 161 -3.194 11.600 26.085 1.00 0.00 C +ATOM 1285 NZ LYS A 161 -3.451 10.870 27.362 1.00 0.00 N +ATOM 1286 N PHE A 162 -4.025 10.550 19.102 1.00 0.00 N +ATOM 1287 CA PHE A 162 -4.469 9.496 18.198 1.00 0.00 C +ATOM 1288 C PHE A 162 -4.771 8.215 18.966 1.00 0.00 C +ATOM 1289 CB PHE A 162 -3.411 9.227 17.123 1.00 0.00 C +ATOM 1290 O PHE A 162 -3.855 7.487 19.353 1.00 0.00 O +ATOM 1291 CG PHE A 162 -3.935 8.476 15.930 1.00 0.00 C +ATOM 1292 CD1 PHE A 162 -3.890 7.087 15.890 1.00 0.00 C +ATOM 1293 CD2 PHE A 162 -4.474 9.158 14.847 1.00 0.00 C +ATOM 1294 CE1 PHE A 162 -4.375 6.389 14.786 1.00 0.00 C +ATOM 1295 CE2 PHE A 162 -4.960 8.467 13.740 1.00 0.00 C +ATOM 1296 CZ PHE A 162 -4.909 7.083 13.711 1.00 0.00 C +ATOM 1297 N ASP A 163 -6.033 7.980 19.293 1.00 0.00 N +ATOM 1298 CA ASP A 163 -6.480 6.861 20.117 1.00 0.00 C +ATOM 1299 C ASP A 163 -6.954 5.697 19.250 1.00 0.00 C +ATOM 1300 CB ASP A 163 -7.599 7.304 21.062 1.00 0.00 C +ATOM 1301 O ASP A 163 -6.910 5.773 18.021 1.00 0.00 O +ATOM 1302 CG ASP A 163 -8.880 7.669 20.333 1.00 0.00 C +ATOM 1303 OD1 ASP A 163 -9.003 7.368 19.126 1.00 0.00 O +ATOM 1304 OD2 ASP A 163 -9.774 8.266 20.971 1.00 0.00 O +ATOM 1305 N GLU A 164 -7.406 4.598 19.859 1.00 6.82 N +ATOM 1306 CA GLU A 164 -7.841 3.365 19.210 1.00 6.82 C +ATOM 1307 C GLU A 164 -9.104 3.591 18.384 1.00 6.82 C +ATOM 1308 CB GLU A 164 -8.081 2.266 20.248 1.00 6.82 C +ATOM 1309 O GLU A 164 -9.299 2.950 17.349 1.00 6.82 O +ATOM 1310 CG GLU A 164 -6.824 1.837 20.991 1.00 6.82 C +ATOM 1311 CD GLU A 164 -7.067 0.705 21.977 1.00 6.82 C +ATOM 1312 OE1 GLU A 164 -8.242 0.331 22.195 1.00 6.82 O +ATOM 1313 OE2 GLU A 164 -6.074 0.187 22.536 1.00 6.82 O +ATOM 1314 N LYS A 165 -9.967 4.531 18.792 1.00 0.00 N +ATOM 1315 CA LYS A 165 -11.179 4.880 18.057 1.00 0.00 C +ATOM 1316 C LYS A 165 -10.843 5.512 16.710 1.00 0.00 C +ATOM 1317 CB LYS A 165 -12.051 5.831 18.879 1.00 0.00 C +ATOM 1318 O LYS A 165 -11.431 5.156 15.687 1.00 0.00 O +ATOM 1319 CG LYS A 165 -12.554 5.235 20.186 1.00 0.00 C +ATOM 1320 CD LYS A 165 -13.409 6.230 20.961 1.00 0.00 C +ATOM 1321 CE LYS A 165 -13.888 5.646 22.283 1.00 0.00 C +ATOM 1322 NZ LYS A 165 -14.648 6.648 23.089 1.00 0.00 N +ATOM 1323 N TRP A 166 -9.822 6.355 16.644 1.00 0.00 N +ATOM 1324 CA TRP A 166 -9.378 7.000 15.413 1.00 0.00 C +ATOM 1325 C TRP A 166 -8.716 5.993 14.479 1.00 0.00 C +ATOM 1326 CB TRP A 166 -8.407 8.143 15.723 1.00 0.00 C +ATOM 1327 O TRP A 166 -8.993 5.975 13.277 1.00 0.00 O +ATOM 1328 CG TRP A 166 -9.076 9.396 16.203 1.00 0.00 C +ATOM 1329 CD1 TRP A 166 -9.088 9.887 17.479 1.00 0.00 C +ATOM 1330 CD2 TRP A 166 -9.834 10.317 15.411 1.00 0.00 C +ATOM 1331 CE2 TRP A 166 -10.276 11.344 16.274 1.00 0.00 C +ATOM 1332 CE3 TRP A 166 -10.181 10.373 14.055 1.00 0.00 C +ATOM 1333 NE1 TRP A 166 -9.808 11.058 17.528 1.00 0.00 N +ATOM 1334 CH2 TRP A 166 -11.375 12.447 14.492 1.00 0.00 C +ATOM 1335 CZ2 TRP A 166 -11.050 12.416 15.823 1.00 0.00 C +ATOM 1336 CZ3 TRP A 166 -10.951 11.441 13.608 1.00 0.00 C +ATOM 1337 N ALA A 167 -7.956 5.135 15.012 1.00 0.00 N +ATOM 1338 CA ALA A 167 -7.340 4.076 14.216 1.00 0.00 C +ATOM 1339 C ALA A 167 -8.397 3.152 13.621 1.00 0.00 C +ATOM 1340 CB ALA A 167 -6.355 3.276 15.066 1.00 0.00 C +ATOM 1341 O ALA A 167 -8.388 2.881 12.418 1.00 0.00 O +ATOM 1342 N THR A 168 -9.392 2.739 14.420 1.00 0.00 N +ATOM 1343 CA THR A 168 -10.490 1.885 13.979 1.00 0.00 C +ATOM 1344 C THR A 168 -11.347 2.600 12.938 1.00 0.00 C +ATOM 1345 CB THR A 168 -11.372 1.451 15.164 1.00 0.00 C +ATOM 1346 O THR A 168 -11.656 2.036 11.887 1.00 0.00 O +ATOM 1347 CG2 THR A 168 -12.500 0.534 14.704 1.00 0.00 C +ATOM 1348 OG1 THR A 168 -10.565 0.755 16.122 1.00 0.00 O +ATOM 1349 N ALA A 169 -11.657 3.858 13.158 1.00 0.00 N +ATOM 1350 CA ALA A 169 -12.400 4.665 12.194 1.00 0.00 C +ATOM 1351 C ALA A 169 -11.628 4.804 10.885 1.00 0.00 C +ATOM 1352 CB ALA A 169 -12.705 6.043 12.776 1.00 0.00 C +ATOM 1353 O ALA A 169 -12.202 4.670 9.801 1.00 0.00 O +ATOM 1354 N GLY A 170 -10.375 5.013 10.943 1.00 0.00 N +ATOM 1355 CA GLY A 170 -9.505 5.036 9.777 1.00 0.00 C +ATOM 1356 C GLY A 170 -9.502 3.728 9.010 1.00 0.00 C +ATOM 1357 O GLY A 170 -9.672 3.718 7.788 1.00 0.00 O +ATOM 1358 N ILE A 171 -9.407 2.620 9.664 1.00 0.00 N +ATOM 1359 CA ILE A 171 -9.421 1.291 9.061 1.00 0.00 C +ATOM 1360 C ILE A 171 -10.769 1.043 8.389 1.00 0.00 C +ATOM 1361 CB ILE A 171 -9.134 0.192 10.109 1.00 0.00 C +ATOM 1362 O ILE A 171 -10.825 0.628 7.229 1.00 0.00 O +ATOM 1363 CG1 ILE A 171 -7.664 0.240 10.544 1.00 0.00 C +ATOM 1364 CG2 ILE A 171 -9.497 -1.189 9.556 1.00 0.00 C +ATOM 1365 CD1 ILE A 171 -7.364 -0.566 11.800 1.00 0.00 C +ATOM 1366 N ILE A 172 -11.882 1.334 9.047 1.00 0.00 N +ATOM 1367 CA ILE A 172 -13.221 1.190 8.486 1.00 0.00 C +ATOM 1368 C ILE A 172 -13.365 2.087 7.258 1.00 0.00 C +ATOM 1369 CB ILE A 172 -14.310 1.530 9.528 1.00 0.00 C +ATOM 1370 O ILE A 172 -13.822 1.638 6.204 1.00 0.00 O +ATOM 1371 CG1 ILE A 172 -14.348 0.463 10.628 1.00 0.00 C +ATOM 1372 CG2 ILE A 172 -15.678 1.670 8.854 1.00 0.00 C +ATOM 1373 CD1 ILE A 172 -15.186 0.851 11.839 1.00 0.00 C +ATOM 1374 N PHE A 173 -12.896 3.292 7.341 1.00 0.00 N +ATOM 1375 CA PHE A 173 -12.915 4.235 6.230 1.00 0.00 C +ATOM 1376 C PHE A 173 -12.142 3.683 5.038 1.00 0.00 C +ATOM 1377 CB PHE A 173 -12.328 5.584 6.657 1.00 0.00 C +ATOM 1378 O PHE A 173 -12.644 3.684 3.912 1.00 0.00 O +ATOM 1379 CG PHE A 173 -12.141 6.552 5.520 1.00 0.00 C +ATOM 1380 CD1 PHE A 173 -13.215 7.281 5.026 1.00 0.00 C +ATOM 1381 CD2 PHE A 173 -10.889 6.732 4.946 1.00 0.00 C +ATOM 1382 CE1 PHE A 173 -13.044 8.178 3.973 1.00 0.00 C +ATOM 1383 CE2 PHE A 173 -10.710 7.626 3.894 1.00 0.00 C +ATOM 1384 CZ PHE A 173 -11.789 8.347 3.409 1.00 0.00 C +ATOM 1385 N THR A 174 -10.943 3.114 5.213 1.00 0.00 N +ATOM 1386 CA THR A 174 -10.123 2.607 4.118 1.00 0.00 C +ATOM 1387 C THR A 174 -10.839 1.477 3.384 1.00 0.00 C +ATOM 1388 CB THR A 174 -8.758 2.109 4.626 1.00 0.00 C +ATOM 1389 O THR A 174 -10.885 1.460 2.152 1.00 0.00 O +ATOM 1390 CG2 THR A 174 -8.006 3.216 5.358 1.00 0.00 C +ATOM 1391 OG1 THR A 174 -8.960 1.011 5.523 1.00 0.00 O +ATOM 1392 N TRP A 175 -11.529 0.557 4.067 1.00 0.00 N +ATOM 1393 CA TRP A 175 -12.210 -0.581 3.459 1.00 0.00 C +ATOM 1394 C TRP A 175 -13.521 -0.150 2.812 1.00 0.00 C +ATOM 1395 CB TRP A 175 -12.475 -1.669 4.504 1.00 0.00 C +ATOM 1396 O TRP A 175 -13.796 -0.497 1.661 1.00 0.00 O +ATOM 1397 CG TRP A 175 -11.282 -2.525 4.809 1.00 0.00 C +ATOM 1398 CD1 TRP A 175 -10.529 -2.512 5.950 1.00 0.00 C +ATOM 1399 CD2 TRP A 175 -10.703 -3.517 3.956 1.00 0.00 C +ATOM 1400 CE2 TRP A 175 -9.600 -4.068 4.646 1.00 0.00 C +ATOM 1401 CE3 TRP A 175 -11.010 -3.995 2.675 1.00 0.00 C +ATOM 1402 NE1 TRP A 175 -9.516 -3.438 5.858 1.00 0.00 N +ATOM 1403 CH2 TRP A 175 -9.124 -5.523 2.841 1.00 0.00 C +ATOM 1404 CZ2 TRP A 175 -8.802 -5.074 4.096 1.00 0.00 C +ATOM 1405 CZ3 TRP A 175 -10.214 -4.996 2.130 1.00 0.00 C +ATOM 1406 N VAL A 176 -14.343 0.715 3.453 1.00 1.28 N +ATOM 1407 CA VAL A 176 -15.593 1.211 2.885 1.00 1.28 C +ATOM 1408 C VAL A 176 -15.301 2.026 1.627 1.00 1.28 C +ATOM 1409 CB VAL A 176 -16.379 2.066 3.904 1.00 1.28 C +ATOM 1410 O VAL A 176 -15.938 1.828 0.590 1.00 1.28 O +ATOM 1411 CG1 VAL A 176 -17.560 2.761 3.228 1.00 1.28 C +ATOM 1412 CG2 VAL A 176 -16.859 1.201 5.068 1.00 1.28 C +ATOM 1413 N TRP A 177 -14.265 2.854 1.660 1.00 0.00 N +ATOM 1414 CA TRP A 177 -13.831 3.669 0.530 1.00 0.00 C +ATOM 1415 C TRP A 177 -13.341 2.791 -0.617 1.00 0.00 C +ATOM 1416 CB TRP A 177 -12.724 4.636 0.958 1.00 0.00 C +ATOM 1417 O TRP A 177 -13.755 2.970 -1.765 1.00 0.00 O +ATOM 1418 CG TRP A 177 -12.318 5.608 -0.110 1.00 0.00 C +ATOM 1419 CD1 TRP A 177 -11.260 5.495 -0.967 1.00 0.00 C +ATOM 1420 CD2 TRP A 177 -12.963 6.844 -0.429 1.00 0.00 C +ATOM 1421 CE2 TRP A 177 -12.242 7.430 -1.493 1.00 0.00 C +ATOM 1422 CE3 TRP A 177 -14.083 7.515 0.081 1.00 0.00 C +ATOM 1423 NE1 TRP A 177 -11.208 6.587 -1.802 1.00 0.00 N +ATOM 1424 CH2 TRP A 177 -13.704 9.290 -1.539 1.00 0.00 C +ATOM 1425 CZ2 TRP A 177 -12.605 8.655 -2.057 1.00 0.00 C +ATOM 1426 CZ3 TRP A 177 -14.443 8.734 -0.482 1.00 0.00 C +ATOM 1427 N SER A 178 -12.493 1.754 -0.331 1.00 26.89 N +ATOM 1428 CA SER A 178 -11.967 0.835 -1.335 1.00 26.89 C +ATOM 1429 C SER A 178 -13.084 0.019 -1.978 1.00 26.89 C +ATOM 1430 CB SER A 178 -10.932 -0.104 -0.714 1.00 26.89 C +ATOM 1431 O SER A 178 -13.190 -0.041 -3.205 1.00 26.89 O +ATOM 1432 OG SER A 178 -11.563 -1.087 0.090 1.00 26.89 O +ATOM 1433 N LEU A 179 -14.002 -0.515 -1.202 1.00 0.53 N +ATOM 1434 CA LEU A 179 -15.126 -1.305 -1.694 1.00 0.53 C +ATOM 1435 C LEU A 179 -16.073 -0.444 -2.525 1.00 0.53 C +ATOM 1436 CB LEU A 179 -15.887 -1.940 -0.527 1.00 0.53 C +ATOM 1437 O LEU A 179 -16.535 -0.870 -3.586 1.00 0.53 O +ATOM 1438 CG LEU A 179 -15.154 -3.041 0.240 1.00 0.53 C +ATOM 1439 CD1 LEU A 179 -15.947 -3.440 1.481 1.00 0.53 C +ATOM 1440 CD2 LEU A 179 -14.914 -4.250 -0.658 1.00 0.53 C +ATOM 1441 N PHE A 180 -16.280 0.795 -2.138 1.00 8.31 N +ATOM 1442 CA PHE A 180 -17.117 1.747 -2.859 1.00 8.31 C +ATOM 1443 C PHE A 180 -16.552 2.023 -4.247 1.00 8.31 C +ATOM 1444 CB PHE A 180 -17.243 3.056 -2.074 1.00 8.31 C +ATOM 1445 O PHE A 180 -17.257 1.886 -5.249 1.00 8.31 O +ATOM 1446 CG PHE A 180 -17.982 4.139 -2.813 1.00 8.31 C +ATOM 1447 CD1 PHE A 180 -19.370 4.151 -2.852 1.00 8.31 C +ATOM 1448 CD2 PHE A 180 -17.286 5.146 -3.470 1.00 8.31 C +ATOM 1449 CE1 PHE A 180 -20.056 5.152 -3.536 1.00 8.31 C +ATOM 1450 CE2 PHE A 180 -17.964 6.149 -4.156 1.00 8.31 C +ATOM 1451 CZ PHE A 180 -19.350 6.150 -4.188 1.00 8.31 C +ATOM 1452 N TRP A 181 -15.235 2.258 -4.402 1.00 0.00 N +ATOM 1453 CA TRP A 181 -14.604 2.632 -5.664 1.00 0.00 C +ATOM 1454 C TRP A 181 -14.364 1.405 -6.537 1.00 0.00 C +ATOM 1455 CB TRP A 181 -13.282 3.360 -5.409 1.00 0.00 C +ATOM 1456 O TRP A 181 -14.242 1.520 -7.759 1.00 0.00 O +ATOM 1457 CG TRP A 181 -13.442 4.807 -5.050 1.00 0.00 C +ATOM 1458 CD1 TRP A 181 -13.220 5.383 -3.830 1.00 0.00 C +ATOM 1459 CD2 TRP A 181 -13.866 5.861 -5.920 1.00 0.00 C +ATOM 1460 CE2 TRP A 181 -13.876 7.051 -5.160 1.00 0.00 C +ATOM 1461 CE3 TRP A 181 -14.237 5.915 -7.270 1.00 0.00 C +ATOM 1462 NE1 TRP A 181 -13.479 6.733 -3.889 1.00 0.00 N +ATOM 1463 CH2 TRP A 181 -14.603 8.308 -7.030 1.00 0.00 C +ATOM 1464 CZ2 TRP A 181 -14.244 8.283 -5.707 1.00 0.00 C +ATOM 1465 CZ3 TRP A 181 -14.602 7.141 -7.812 1.00 0.00 C +ATOM 1466 N CYS A 182 -14.411 0.250 -5.966 1.00 0.00 N +ATOM 1467 CA CYS A 182 -14.225 -0.980 -6.729 1.00 0.00 C +ATOM 1468 C CYS A 182 -15.567 -1.576 -7.138 1.00 0.00 C +ATOM 1469 CB CYS A 182 -13.430 -2.000 -5.915 1.00 0.00 C +ATOM 1470 O CYS A 182 -15.617 -2.509 -7.941 1.00 0.00 O +ATOM 1471 SG CYS A 182 -11.713 -1.522 -5.624 1.00 0.00 S +ATOM 1472 N ALA A 183 -16.702 -1.048 -6.706 1.00 0.00 N +ATOM 1473 CA ALA A 183 -18.032 -1.612 -6.924 1.00 0.00 C +ATOM 1474 C ALA A 183 -18.498 -1.381 -8.358 1.00 0.00 C +ATOM 1475 CB ALA A 183 -19.032 -1.012 -5.939 1.00 0.00 C +ATOM 1476 O ALA A 183 -19.157 -2.240 -8.950 1.00 0.00 O +ATOM 1477 N PRO A 184 -18.160 -0.287 -9.051 1.00 0.00 N +ATOM 1478 CA PRO A 184 -18.789 0.056 -10.328 1.00 0.00 C +ATOM 1479 C PRO A 184 -18.554 -1.001 -11.405 1.00 0.00 C +ATOM 1480 CB PRO A 184 -18.118 1.379 -10.707 1.00 0.00 C +ATOM 1481 O PRO A 184 -19.473 -1.338 -12.155 1.00 0.00 O +ATOM 1482 CG PRO A 184 -17.824 2.046 -9.402 1.00 0.00 C +ATOM 1483 CD PRO A 184 -17.376 0.999 -8.422 1.00 0.00 C +ATOM 1484 N PRO A 185 -17.375 -1.712 -11.470 1.00 0.00 N +ATOM 1485 CA PRO A 185 -17.195 -2.786 -12.450 1.00 0.00 C +ATOM 1486 C PRO A 185 -18.123 -3.973 -12.203 1.00 0.00 C +ATOM 1487 CB PRO A 185 -15.730 -3.190 -12.265 1.00 0.00 C +ATOM 1488 O PRO A 185 -18.537 -4.645 -13.150 1.00 0.00 O +ATOM 1489 CG PRO A 185 -15.056 -1.959 -11.750 1.00 0.00 C +ATOM 1490 CD PRO A 185 -16.013 -1.234 -10.848 1.00 0.00 C +ATOM 1491 N ILE A 186 -18.521 -4.263 -11.020 1.00 0.00 N +ATOM 1492 CA ILE A 186 -19.455 -5.328 -10.668 1.00 0.00 C +ATOM 1493 C ILE A 186 -20.837 -5.009 -11.233 1.00 0.00 C +ATOM 1494 CB ILE A 186 -19.533 -5.528 -9.138 1.00 0.00 C +ATOM 1495 O ILE A 186 -21.568 -5.911 -11.648 1.00 0.00 O +ATOM 1496 CG1 ILE A 186 -18.162 -5.925 -8.580 1.00 0.00 C +ATOM 1497 CG2 ILE A 186 -20.593 -6.576 -8.785 1.00 0.00 C +ATOM 1498 CD1 ILE A 186 -18.111 -6.004 -7.061 1.00 0.00 C +ATOM 1499 N PHE A 187 -21.117 -3.706 -11.330 1.00 0.00 N +ATOM 1500 CA PHE A 187 -22.420 -3.255 -11.803 1.00 0.00 C +ATOM 1501 C PHE A 187 -22.403 -3.035 -13.310 1.00 0.00 C +ATOM 1502 CB PHE A 187 -22.834 -1.964 -11.088 1.00 0.00 C +ATOM 1503 O PHE A 187 -23.347 -2.474 -13.872 1.00 0.00 O +ATOM 1504 CG PHE A 187 -23.029 -2.127 -9.605 1.00 0.00 C +ATOM 1505 CD1 PHE A 187 -24.004 -2.983 -9.108 1.00 0.00 C +ATOM 1506 CD2 PHE A 187 -22.236 -1.423 -8.708 1.00 0.00 C +ATOM 1507 CE1 PHE A 187 -24.186 -3.136 -7.735 1.00 0.00 C +ATOM 1508 CE2 PHE A 187 -22.413 -1.570 -7.335 1.00 0.00 C +ATOM 1509 CZ PHE A 187 -23.389 -2.426 -6.851 1.00 0.00 C +ATOM 1510 N GLY A 188 -21.361 -3.451 -13.955 1.00 0.00 N +ATOM 1511 CA GLY A 188 -21.250 -3.408 -15.405 1.00 0.00 C +ATOM 1512 C GLY A 188 -20.811 -2.054 -15.930 1.00 0.00 C +ATOM 1513 O GLY A 188 -20.780 -1.833 -17.142 1.00 0.00 O +ATOM 1514 N TRP A 189 -20.479 -1.067 -15.036 1.00 0.00 N +ATOM 1515 CA TRP A 189 -20.028 0.259 -15.444 1.00 0.00 C +ATOM 1516 C TRP A 189 -18.639 0.194 -16.069 1.00 0.00 C +ATOM 1517 CB TRP A 189 -20.019 1.215 -14.247 1.00 0.00 C +ATOM 1518 O TRP A 189 -18.246 1.090 -16.820 1.00 0.00 O +ATOM 1519 CG TRP A 189 -21.384 1.554 -13.728 1.00 0.00 C +ATOM 1520 CD1 TRP A 189 -22.582 1.085 -14.191 1.00 0.00 C +ATOM 1521 CD2 TRP A 189 -21.691 2.442 -12.649 1.00 0.00 C +ATOM 1522 CE2 TRP A 189 -23.097 2.462 -12.511 1.00 0.00 C +ATOM 1523 CE3 TRP A 189 -20.913 3.222 -11.783 1.00 0.00 C +ATOM 1524 NE1 TRP A 189 -23.616 1.627 -13.463 1.00 0.00 N +ATOM 1525 CH2 TRP A 189 -22.956 3.988 -10.707 1.00 0.00 C +ATOM 1526 CZ2 TRP A 189 -23.741 3.234 -11.541 1.00 0.00 C +ATOM 1527 CZ3 TRP A 189 -21.556 3.989 -10.818 1.00 0.00 C +ATOM 1528 N SER A 190 -17.942 -0.928 -15.870 1.00 0.00 N +ATOM 1529 CA SER A 190 -16.662 -1.282 -16.475 1.00 0.00 C +ATOM 1530 C SER A 190 -16.526 -2.792 -16.637 1.00 0.00 C +ATOM 1531 CB SER A 190 -15.504 -0.744 -15.634 1.00 0.00 C +ATOM 1532 O SER A 190 -17.048 -3.558 -15.825 1.00 0.00 O +ATOM 1533 OG SER A 190 -14.953 -1.767 -14.824 1.00 0.00 O +ATOM 1534 N ARG A 191 -16.115 -3.210 -17.820 1.00 0.00 N +ATOM 1535 CA ARG A 191 -15.795 -4.620 -18.015 1.00 0.00 C +ATOM 1536 C ARG A 191 -14.384 -4.934 -17.528 1.00 0.00 C +ATOM 1537 CB ARG A 191 -15.937 -5.005 -19.490 1.00 0.00 C +ATOM 1538 O ARG A 191 -13.433 -4.227 -17.867 1.00 0.00 O +ATOM 1539 CG ARG A 191 -17.355 -4.877 -20.025 1.00 0.00 C +ATOM 1540 CD ARG A 191 -17.447 -5.304 -21.483 1.00 0.00 C +ATOM 1541 NE ARG A 191 -18.800 -5.139 -22.009 1.00 0.00 N +ATOM 1542 NH1 ARG A 191 -18.331 -6.058 -24.076 1.00 0.00 N +ATOM 1543 NH2 ARG A 191 -20.444 -5.305 -23.603 1.00 0.00 N +ATOM 1544 CZ ARG A 191 -19.189 -5.501 -23.228 1.00 0.00 C +ATOM 1545 N TYR A 192 -14.223 -5.833 -16.604 1.00 0.00 N +ATOM 1546 CA TYR A 192 -12.921 -6.453 -16.384 1.00 0.00 C +ATOM 1547 C TYR A 192 -12.562 -7.392 -17.530 1.00 0.00 C +ATOM 1548 CB TYR A 192 -12.908 -7.220 -15.058 1.00 0.00 C +ATOM 1549 O TYR A 192 -13.333 -8.294 -17.866 1.00 0.00 O +ATOM 1550 CG TYR A 192 -12.821 -6.329 -13.842 1.00 0.00 C +ATOM 1551 CD1 TYR A 192 -11.607 -5.767 -13.453 1.00 0.00 C +ATOM 1552 CD2 TYR A 192 -13.950 -6.049 -13.081 1.00 0.00 C +ATOM 1553 CE1 TYR A 192 -11.521 -4.947 -12.332 1.00 0.00 C +ATOM 1554 CE2 TYR A 192 -13.876 -5.230 -11.959 1.00 0.00 C +ATOM 1555 OH TYR A 192 -12.579 -3.874 -10.483 1.00 0.00 O +ATOM 1556 CZ TYR A 192 -12.659 -4.684 -11.593 1.00 0.00 C +ATOM 1557 N TRP A 193 -11.324 -7.014 -18.081 1.00 0.00 N +ATOM 1558 CA TRP A 193 -10.721 -7.823 -19.134 1.00 0.00 C +ATOM 1559 C TRP A 193 -9.360 -8.357 -18.699 1.00 0.00 C +ATOM 1560 CB TRP A 193 -10.575 -7.008 -20.422 1.00 0.00 C +ATOM 1561 O TRP A 193 -8.650 -7.708 -17.926 1.00 0.00 O +ATOM 1562 CG TRP A 193 -11.870 -6.755 -21.133 1.00 0.00 C +ATOM 1563 CD1 TRP A 193 -12.651 -5.636 -21.048 1.00 0.00 C +ATOM 1564 CD2 TRP A 193 -12.538 -7.643 -22.034 1.00 0.00 C +ATOM 1565 CE2 TRP A 193 -13.720 -6.997 -22.459 1.00 0.00 C +ATOM 1566 CE3 TRP A 193 -12.250 -8.924 -22.524 1.00 0.00 C +ATOM 1567 NE1 TRP A 193 -13.765 -5.775 -21.844 1.00 0.00 N +ATOM 1568 CH2 TRP A 193 -14.310 -8.844 -23.817 1.00 0.00 C +ATOM 1569 CZ2 TRP A 193 -14.615 -7.590 -23.353 1.00 0.00 C +ATOM 1570 CZ3 TRP A 193 -13.142 -9.513 -23.413 1.00 0.00 C +ATOM 1571 N PRO A 194 -8.994 -9.518 -19.079 1.00 0.00 N +ATOM 1572 CA PRO A 194 -7.586 -9.884 -18.908 1.00 0.00 C +ATOM 1573 C PRO A 194 -6.636 -8.918 -19.610 1.00 0.00 C +ATOM 1574 CB PRO A 194 -7.506 -11.280 -19.533 1.00 0.00 C +ATOM 1575 O PRO A 194 -6.755 -8.697 -20.818 1.00 0.00 O +ATOM 1576 CG PRO A 194 -8.712 -11.374 -20.411 1.00 0.00 C +ATOM 1577 CD PRO A 194 -9.697 -10.325 -19.984 1.00 0.00 C +ATOM 1578 N HIS A 195 -5.741 -8.333 -18.890 1.00 0.00 N +ATOM 1579 CA HIS A 195 -4.685 -7.463 -19.396 1.00 0.00 C +ATOM 1580 C HIS A 195 -3.619 -8.262 -20.137 1.00 0.00 C +ATOM 1581 CB HIS A 195 -4.048 -6.673 -18.252 1.00 0.00 C +ATOM 1582 O HIS A 195 -3.193 -9.320 -19.669 1.00 0.00 O +ATOM 1583 CG HIS A 195 -4.953 -5.642 -17.657 1.00 0.00 C +ATOM 1584 CD2 HIS A 195 -5.478 -5.529 -16.414 1.00 0.00 C +ATOM 1585 ND1 HIS A 195 -5.423 -4.561 -18.373 1.00 0.00 N +ATOM 1586 CE1 HIS A 195 -6.198 -3.827 -17.592 1.00 0.00 C +ATOM 1587 NE2 HIS A 195 -6.248 -4.393 -16.398 1.00 0.00 N +ATOM 1588 N GLY A 196 -3.144 -7.727 -21.428 1.00 0.00 N +ATOM 1589 CA GLY A 196 -2.097 -7.990 -22.403 1.00 0.00 C +ATOM 1590 C GLY A 196 -1.535 -9.396 -22.311 1.00 0.00 C +ATOM 1591 O GLY A 196 -1.518 -10.130 -23.301 1.00 0.00 O +ATOM 1592 N LEU A 197 -0.980 -9.719 -20.999 1.00 0.00 N +ATOM 1593 CA LEU A 197 -0.342 -11.017 -20.811 1.00 0.00 C +ATOM 1594 C LEU A 197 -1.328 -12.031 -20.241 1.00 0.00 C +ATOM 1595 CB LEU A 197 0.870 -10.889 -19.883 1.00 0.00 C +ATOM 1596 O LEU A 197 -0.933 -13.125 -19.831 1.00 0.00 O +ATOM 1597 CG LEU A 197 2.067 -10.114 -20.435 1.00 0.00 C +ATOM 1598 CD1 LEU A 197 3.096 -9.875 -19.335 1.00 0.00 C +ATOM 1599 CD2 LEU A 197 2.694 -10.862 -21.607 1.00 0.00 C +ATOM 1600 N LYS A 198 -2.660 -11.723 -20.163 1.00 0.00 N +ATOM 1601 CA LYS A 198 -3.668 -12.578 -19.542 1.00 0.00 C +ATOM 1602 C LYS A 198 -3.277 -12.940 -18.112 1.00 0.00 C +ATOM 1603 CB LYS A 198 -3.876 -13.849 -20.367 1.00 0.00 C +ATOM 1604 O LYS A 198 -3.662 -13.996 -17.606 1.00 0.00 O +ATOM 1605 CG LYS A 198 -4.392 -13.596 -21.776 1.00 0.00 C +ATOM 1606 CD LYS A 198 -4.703 -14.899 -22.499 1.00 0.00 C +ATOM 1607 CE LYS A 198 -5.264 -14.646 -23.892 1.00 0.00 C +ATOM 1608 NZ LYS A 198 -5.628 -15.919 -24.583 1.00 0.00 N +ATOM 1609 N THR A 199 -2.289 -12.293 -17.528 1.00 0.00 N +ATOM 1610 CA THR A 199 -1.717 -12.639 -16.231 1.00 0.00 C +ATOM 1611 C THR A 199 -2.483 -11.955 -15.102 1.00 0.00 C +ATOM 1612 CB THR A 199 -0.229 -12.250 -16.155 1.00 0.00 C +ATOM 1613 O THR A 199 -2.393 -12.369 -13.944 1.00 0.00 O +ATOM 1614 CG2 THR A 199 0.612 -13.104 -17.097 1.00 0.00 C +ATOM 1615 OG1 THR A 199 -0.083 -10.872 -16.518 1.00 0.00 O +ATOM 1616 N SER A 200 -3.273 -10.901 -15.368 1.00 0.00 N +ATOM 1617 CA SER A 200 -4.100 -10.210 -14.383 1.00 0.00 C +ATOM 1618 C SER A 200 -5.387 -9.686 -15.012 1.00 0.00 C +ATOM 1619 CB SER A 200 -3.326 -9.053 -13.750 1.00 0.00 C +ATOM 1620 O SER A 200 -5.396 -9.285 -16.178 1.00 0.00 O +ATOM 1621 OG SER A 200 -2.942 -8.107 -14.732 1.00 0.00 O +ATOM 1622 N CYS A 201 -6.474 -9.817 -14.225 1.00 0.00 N +ATOM 1623 CA CYS A 201 -7.744 -9.169 -14.531 1.00 0.00 C +ATOM 1624 C CYS A 201 -7.794 -7.762 -13.947 1.00 0.00 C +ATOM 1625 CB CYS A 201 -8.911 -9.995 -13.992 1.00 0.00 C +ATOM 1626 O CYS A 201 -7.410 -7.549 -12.795 1.00 0.00 O +ATOM 1627 SG CYS A 201 -9.035 -11.642 -14.723 1.00 0.00 S +ATOM 1628 N GLY A 202 -7.952 -6.766 -14.791 1.00 0.00 N +ATOM 1629 CA GLY A 202 -8.135 -5.377 -14.402 1.00 0.00 C +ATOM 1630 C GLY A 202 -9.168 -4.653 -15.244 1.00 0.00 C +ATOM 1631 O GLY A 202 -9.714 -5.221 -16.192 1.00 0.00 O +ATOM 1632 N PRO A 203 -9.528 -3.432 -14.713 1.00 0.00 N +ATOM 1633 CA PRO A 203 -10.380 -2.609 -15.575 1.00 0.00 C +ATOM 1634 C PRO A 203 -9.777 -2.386 -16.960 1.00 0.00 C +ATOM 1635 CB PRO A 203 -10.487 -1.289 -14.808 1.00 0.00 C +ATOM 1636 O PRO A 203 -8.567 -2.179 -17.085 1.00 0.00 O +ATOM 1637 CG PRO A 203 -9.263 -1.244 -13.951 1.00 0.00 C +ATOM 1638 CD PRO A 203 -8.824 -2.652 -13.672 1.00 0.00 C +ATOM 1639 N ASP A 204 -10.546 -2.489 -17.979 1.00 0.00 N +ATOM 1640 CA ASP A 204 -10.199 -2.412 -19.395 1.00 0.00 C +ATOM 1641 C ASP A 204 -9.707 -1.015 -19.764 1.00 0.00 C +ATOM 1642 CB ASP A 204 -11.399 -2.794 -20.263 1.00 0.00 C +ATOM 1643 O ASP A 204 -10.396 -0.275 -20.469 1.00 0.00 O +ATOM 1644 CG ASP A 204 -11.012 -3.148 -21.688 1.00 0.00 C +ATOM 1645 OD1 ASP A 204 -9.803 -3.157 -22.007 1.00 0.00 O +ATOM 1646 OD2 ASP A 204 -11.923 -3.417 -22.500 1.00 0.00 O +ATOM 1647 N VAL A 205 -8.496 -0.631 -19.395 1.00 0.00 N +ATOM 1648 CA VAL A 205 -7.903 0.669 -19.689 1.00 0.00 C +ATOM 1649 C VAL A 205 -7.311 0.661 -21.096 1.00 0.00 C +ATOM 1650 CB VAL A 205 -6.818 1.045 -18.656 1.00 0.00 C +ATOM 1651 O VAL A 205 -7.151 1.715 -21.716 1.00 0.00 O +ATOM 1652 CG1 VAL A 205 -6.408 2.509 -18.811 1.00 0.00 C +ATOM 1653 CG2 VAL A 205 -7.315 0.774 -17.237 1.00 0.00 C +ATOM 1654 N PHE A 206 -7.083 -0.546 -21.635 1.00 0.00 N +ATOM 1655 CA PHE A 206 -6.181 -0.656 -22.775 1.00 0.00 C +ATOM 1656 C PHE A 206 -6.924 -1.159 -24.007 1.00 0.00 C +ATOM 1657 CB PHE A 206 -5.012 -1.592 -22.449 1.00 0.00 C +ATOM 1658 O PHE A 206 -6.385 -1.136 -25.116 1.00 0.00 O +ATOM 1659 CG PHE A 206 -4.163 -1.124 -21.298 1.00 0.00 C +ATOM 1660 CD1 PHE A 206 -3.402 0.033 -21.402 1.00 0.00 C +ATOM 1661 CD2 PHE A 206 -4.127 -1.843 -20.110 1.00 0.00 C +ATOM 1662 CE1 PHE A 206 -2.615 0.468 -20.338 1.00 0.00 C +ATOM 1663 CE2 PHE A 206 -3.343 -1.415 -19.042 1.00 0.00 C +ATOM 1664 CZ PHE A 206 -2.587 -0.259 -19.159 1.00 0.00 C +ATOM 1665 N SER A 207 -8.164 -1.693 -23.996 1.00 0.00 N +ATOM 1666 CA SER A 207 -8.863 -2.267 -25.141 1.00 0.00 C +ATOM 1667 C SER A 207 -9.277 -1.186 -26.135 1.00 0.00 C +ATOM 1668 CB SER A 207 -10.096 -3.047 -24.682 1.00 0.00 C +ATOM 1669 O SER A 207 -9.862 -1.486 -27.178 1.00 0.00 O +ATOM 1670 OG SER A 207 -11.052 -2.179 -24.100 1.00 0.00 O +ATOM 1671 N GLY A 208 -8.816 0.150 -25.869 1.00 0.00 N +ATOM 1672 CA GLY A 208 -9.253 1.203 -26.772 1.00 0.00 C +ATOM 1673 C GLY A 208 -10.750 1.446 -26.725 1.00 0.00 C +ATOM 1674 O GLY A 208 -11.308 2.090 -27.616 1.00 0.00 O +ATOM 1675 N ASN A 209 -11.442 0.656 -25.881 1.00 0.93 N +ATOM 1676 CA ASN A 209 -12.845 1.008 -25.689 1.00 0.93 C +ATOM 1677 C ASN A 209 -13.018 2.504 -25.437 1.00 0.93 C +ATOM 1678 CB ASN A 209 -13.448 0.203 -24.536 1.00 0.93 C +ATOM 1679 O ASN A 209 -12.569 3.021 -24.413 1.00 0.93 O +ATOM 1680 CG ASN A 209 -13.968 -1.151 -24.980 1.00 0.93 C +ATOM 1681 ND2 ASN A 209 -14.058 -2.087 -24.043 1.00 0.93 N +ATOM 1682 OD1 ASN A 209 -14.285 -1.353 -26.155 1.00 0.93 O +ATOM 1683 N GLU A 210 -13.737 3.184 -26.320 1.00 0.00 N +ATOM 1684 CA GLU A 210 -14.067 4.604 -26.376 1.00 0.00 C +ATOM 1685 C GLU A 210 -15.235 4.936 -25.451 1.00 0.00 C +ATOM 1686 CB GLU A 210 -14.396 5.024 -27.811 1.00 0.00 C +ATOM 1687 O GLU A 210 -15.793 6.034 -25.517 1.00 0.00 O +ATOM 1688 CG GLU A 210 -13.236 4.860 -28.781 1.00 0.00 C +ATOM 1689 CD GLU A 210 -13.513 5.451 -30.154 1.00 0.00 C +ATOM 1690 OE1 GLU A 210 -14.693 5.724 -30.470 1.00 0.00 O +ATOM 1691 OE2 GLU A 210 -12.542 5.642 -30.920 1.00 0.00 O +ATOM 1692 N ASP A 211 -15.652 3.945 -24.603 1.00 0.00 N +ATOM 1693 CA ASP A 211 -16.762 4.284 -23.719 1.00 0.00 C +ATOM 1694 C ASP A 211 -16.381 5.416 -22.767 1.00 0.00 C +ATOM 1695 CB ASP A 211 -17.210 3.056 -22.924 1.00 0.00 C +ATOM 1696 O ASP A 211 -15.517 5.243 -21.904 1.00 0.00 O +ATOM 1697 CG ASP A 211 -18.414 3.329 -22.039 1.00 0.00 C +ATOM 1698 OD1 ASP A 211 -18.653 4.502 -21.678 1.00 0.00 O +ATOM 1699 OD2 ASP A 211 -19.128 2.362 -21.696 1.00 0.00 O +ATOM 1700 N PRO A 212 -16.966 6.606 -22.943 1.00 0.00 N +ATOM 1701 CA PRO A 212 -16.636 7.775 -22.125 1.00 0.00 C +ATOM 1702 C PRO A 212 -16.897 7.547 -20.637 1.00 0.00 C +ATOM 1703 CB PRO A 212 -17.557 8.865 -22.680 1.00 0.00 C +ATOM 1704 O PRO A 212 -16.221 8.137 -19.791 1.00 0.00 O +ATOM 1705 CG PRO A 212 -18.658 8.122 -23.365 1.00 0.00 C +ATOM 1706 CD PRO A 212 -18.104 6.831 -23.895 1.00 0.00 C +ATOM 1707 N GLY A 213 -17.860 6.726 -20.278 1.00 0.00 N +ATOM 1708 CA GLY A 213 -18.149 6.363 -18.900 1.00 0.00 C +ATOM 1709 C GLY A 213 -17.012 5.616 -18.228 1.00 0.00 C +ATOM 1710 O GLY A 213 -16.567 5.997 -17.143 1.00 0.00 O +ATOM 1711 N VAL A 214 -16.456 4.582 -18.861 1.00 0.00 N +ATOM 1712 CA VAL A 214 -15.322 3.812 -18.362 1.00 0.00 C +ATOM 1713 C VAL A 214 -14.109 4.726 -18.199 1.00 0.00 C +ATOM 1714 CB VAL A 214 -14.978 2.634 -19.300 1.00 0.00 C +ATOM 1715 O VAL A 214 -13.442 4.703 -17.162 1.00 0.00 O +ATOM 1716 CG1 VAL A 214 -13.712 1.921 -18.830 1.00 0.00 C +ATOM 1717 CG2 VAL A 214 -16.149 1.655 -19.376 1.00 0.00 C +ATOM 1718 N ARG A 215 -13.890 5.568 -19.121 1.00 0.00 N +ATOM 1719 CA ARG A 215 -12.790 6.526 -19.070 1.00 0.00 C +ATOM 1720 C ARG A 215 -12.949 7.479 -17.890 1.00 0.00 C +ATOM 1721 CB ARG A 215 -12.707 7.320 -20.376 1.00 0.00 C +ATOM 1722 O ARG A 215 -12.007 7.684 -17.120 1.00 0.00 O +ATOM 1723 CG ARG A 215 -11.507 8.249 -20.457 1.00 0.00 C +ATOM 1724 CD ARG A 215 -11.416 8.936 -21.812 1.00 0.00 C +ATOM 1725 NE ARG A 215 -10.254 9.817 -21.893 1.00 0.00 N +ATOM 1726 NH1 ARG A 215 -10.696 10.545 -24.041 1.00 0.00 N +ATOM 1727 NH2 ARG A 215 -8.858 11.327 -22.916 1.00 0.00 N +ATOM 1728 CZ ARG A 215 -9.939 10.561 -22.950 1.00 0.00 C +ATOM 1729 N SER A 216 -14.124 8.103 -17.786 1.00 0.00 N +ATOM 1730 CA SER A 216 -14.405 9.002 -16.672 1.00 0.00 C +ATOM 1731 C SER A 216 -14.239 8.291 -15.332 1.00 0.00 C +ATOM 1732 CB SER A 216 -15.820 9.570 -16.785 1.00 0.00 C +ATOM 1733 O SER A 216 -13.641 8.838 -14.404 1.00 0.00 O +ATOM 1734 OG SER A 216 -15.961 10.339 -17.967 1.00 0.00 O +ATOM 1735 N TYR A 217 -14.671 7.086 -15.193 1.00 0.00 N +ATOM 1736 CA TYR A 217 -14.512 6.276 -13.991 1.00 0.00 C +ATOM 1737 C TYR A 217 -13.039 6.024 -13.693 1.00 0.00 C +ATOM 1738 CB TYR A 217 -15.250 4.943 -14.139 1.00 0.00 C +ATOM 1739 O TYR A 217 -12.582 6.232 -12.567 1.00 0.00 O +ATOM 1740 CG TYR A 217 -14.932 3.948 -13.050 1.00 0.00 C +ATOM 1741 CD1 TYR A 217 -15.412 4.127 -11.754 1.00 0.00 C +ATOM 1742 CD2 TYR A 217 -14.151 2.828 -13.313 1.00 0.00 C +ATOM 1743 CE1 TYR A 217 -15.119 3.214 -10.746 1.00 0.00 C +ATOM 1744 CE2 TYR A 217 -13.852 1.908 -12.313 1.00 0.00 C +ATOM 1745 OH TYR A 217 -14.048 1.202 -10.041 1.00 0.00 O +ATOM 1746 CZ TYR A 217 -14.341 2.109 -11.035 1.00 0.00 C +ATOM 1747 N MET A 218 -12.253 5.721 -14.637 1.00 0.00 N +ATOM 1748 CA MET A 218 -10.833 5.432 -14.459 1.00 0.00 C +ATOM 1749 C MET A 218 -10.072 6.685 -14.036 1.00 0.00 C +ATOM 1750 CB MET A 218 -10.233 4.866 -15.746 1.00 0.00 C +ATOM 1751 O MET A 218 -9.241 6.634 -13.127 1.00 0.00 O +ATOM 1752 CG MET A 218 -10.638 3.429 -16.031 1.00 0.00 C +ATOM 1753 SD MET A 218 -10.003 2.256 -14.772 1.00 0.00 S +ATOM 1754 CE MET A 218 -10.690 0.701 -15.407 1.00 0.00 C +ATOM 1755 N VAL A 219 -10.346 7.811 -14.691 1.00 3.44 N +ATOM 1756 CA VAL A 219 -9.769 9.090 -14.290 1.00 3.44 C +ATOM 1757 C VAL A 219 -10.144 9.395 -12.842 1.00 3.44 C +ATOM 1758 CB VAL A 219 -10.236 10.238 -15.214 1.00 3.44 C +ATOM 1759 O VAL A 219 -9.279 9.727 -12.027 1.00 3.44 O +ATOM 1760 CG1 VAL A 219 -9.800 11.591 -14.656 1.00 3.44 C +ATOM 1761 CG2 VAL A 219 -9.691 10.038 -16.628 1.00 3.44 C +ATOM 1762 N THR A 220 -11.387 9.195 -12.498 1.00 0.00 N +ATOM 1763 CA THR A 220 -11.847 9.442 -11.136 1.00 0.00 C +ATOM 1764 C THR A 220 -11.181 8.480 -10.156 1.00 0.00 C +ATOM 1765 CB THR A 220 -13.378 9.308 -11.031 1.00 0.00 C +ATOM 1766 O THR A 220 -10.681 8.899 -9.110 1.00 0.00 O +ATOM 1767 CG2 THR A 220 -13.865 9.654 -9.628 1.00 0.00 C +ATOM 1768 OG1 THR A 220 -13.995 10.195 -11.972 1.00 0.00 O +ATOM 1769 N LEU A 221 -11.114 7.160 -10.452 1.00 0.00 N +ATOM 1770 CA LEU A 221 -10.424 6.150 -9.657 1.00 0.00 C +ATOM 1771 C LEU A 221 -8.960 6.525 -9.454 1.00 0.00 C +ATOM 1772 CB LEU A 221 -10.523 4.778 -10.330 1.00 0.00 C +ATOM 1773 O LEU A 221 -8.463 6.515 -8.325 1.00 0.00 O +ATOM 1774 CG LEU A 221 -9.975 3.592 -9.535 1.00 0.00 C +ATOM 1775 CD1 LEU A 221 -10.929 3.227 -8.402 1.00 0.00 C +ATOM 1776 CD2 LEU A 221 -9.742 2.396 -10.451 1.00 0.00 C +ATOM 1777 N MET A 222 -8.297 7.007 -10.395 1.00 85.13 N +ATOM 1778 CA MET A 222 -6.893 7.402 -10.332 1.00 85.13 C +ATOM 1779 C MET A 222 -6.713 8.638 -9.456 1.00 85.13 C +ATOM 1780 CB MET A 222 -6.347 7.673 -11.735 1.00 85.13 C +ATOM 1781 O MET A 222 -5.830 8.673 -8.598 1.00 85.13 O +ATOM 1782 CG MET A 222 -6.116 6.414 -12.556 1.00 85.13 C +ATOM 1783 SD MET A 222 -4.883 5.292 -11.790 1.00 85.13 S +ATOM 1784 CE MET A 222 -5.364 3.718 -12.554 1.00 85.13 C +ATOM 1785 N LEU A 223 -7.492 9.650 -9.685 1.00 0.08 N +ATOM 1786 CA LEU A 223 -7.436 10.878 -8.899 1.00 0.08 C +ATOM 1787 C LEU A 223 -7.683 10.590 -7.422 1.00 0.08 C +ATOM 1788 CB LEU A 223 -8.463 11.890 -9.413 1.00 0.08 C +ATOM 1789 O LEU A 223 -6.917 11.032 -6.563 1.00 0.08 O +ATOM 1790 CG LEU A 223 -8.153 12.549 -10.757 1.00 0.08 C +ATOM 1791 CD1 LEU A 223 -9.338 13.389 -11.222 1.00 0.08 C +ATOM 1792 CD2 LEU A 223 -6.893 13.402 -10.657 1.00 0.08 C +ATOM 1793 N THR A 224 -8.648 9.711 -7.140 1.00 0.00 N +ATOM 1794 CA THR A 224 -9.135 9.546 -5.775 1.00 0.00 C +ATOM 1795 C THR A 224 -8.373 8.433 -5.061 1.00 0.00 C +ATOM 1796 CB THR A 224 -10.643 9.236 -5.753 1.00 0.00 C +ATOM 1797 O THR A 224 -8.207 8.472 -3.840 1.00 0.00 O +ATOM 1798 CG2 THR A 224 -11.455 10.418 -6.270 1.00 0.00 C +ATOM 1799 OG1 THR A 224 -10.902 8.094 -6.580 1.00 0.00 O +ATOM 1800 N CYS A 225 -7.814 7.429 -5.778 1.00 0.00 N +ATOM 1801 CA CYS A 225 -7.220 6.255 -5.148 1.00 0.00 C +ATOM 1802 C CYS A 225 -5.700 6.295 -5.242 1.00 0.00 C +ATOM 1803 CB CYS A 225 -7.747 4.975 -5.795 1.00 0.00 C +ATOM 1804 O CYS A 225 -5.008 5.616 -4.481 1.00 0.00 O +ATOM 1805 SG CYS A 225 -9.534 4.764 -5.642 1.00 0.00 S +ATOM 1806 N CYS A 226 -5.161 7.146 -6.174 1.00 0.00 N +ATOM 1807 CA CYS A 226 -3.712 7.223 -6.316 1.00 0.00 C +ATOM 1808 C CYS A 226 -3.211 8.637 -6.043 1.00 0.00 C +ATOM 1809 CB CYS A 226 -3.287 6.784 -7.717 1.00 0.00 C +ATOM 1810 O CYS A 226 -2.509 8.871 -5.058 1.00 0.00 O +ATOM 1811 SG CYS A 226 -3.762 5.090 -8.124 1.00 0.00 S +ATOM 1812 N ILE A 227 -3.629 9.664 -6.772 1.00 0.00 N +ATOM 1813 CA ILE A 227 -3.062 11.008 -6.744 1.00 0.00 C +ATOM 1814 C ILE A 227 -3.410 11.687 -5.421 1.00 0.00 C +ATOM 1815 CB ILE A 227 -3.564 11.859 -7.932 1.00 0.00 C +ATOM 1816 O ILE A 227 -2.542 12.272 -4.769 1.00 0.00 O +ATOM 1817 CG1 ILE A 227 -3.067 11.271 -9.257 1.00 0.00 C +ATOM 1818 CG2 ILE A 227 -3.118 13.316 -7.778 1.00 0.00 C +ATOM 1819 CD1 ILE A 227 -3.611 11.978 -10.491 1.00 0.00 C +ATOM 1820 N LEU A 228 -4.686 11.586 -4.971 1.00 0.00 N +ATOM 1821 CA LEU A 228 -5.130 12.241 -3.745 1.00 0.00 C +ATOM 1822 C LEU A 228 -4.429 11.649 -2.527 1.00 0.00 C +ATOM 1823 CB LEU A 228 -6.647 12.112 -3.588 1.00 0.00 C +ATOM 1824 O LEU A 228 -3.778 12.371 -1.768 1.00 0.00 O +ATOM 1825 CG LEU A 228 -7.243 12.652 -2.287 1.00 0.00 C +ATOM 1826 CD1 LEU A 228 -6.981 14.149 -2.165 1.00 0.00 C +ATOM 1827 CD2 LEU A 228 -8.737 12.357 -2.220 1.00 0.00 C +ATOM 1828 N PRO A 229 -4.410 10.283 -2.276 1.00 0.00 N +ATOM 1829 CA PRO A 229 -3.653 9.729 -1.151 1.00 0.00 C +ATOM 1830 C PRO A 229 -2.172 10.095 -1.200 1.00 0.00 C +ATOM 1831 CB PRO A 229 -3.848 8.218 -1.305 1.00 0.00 C +ATOM 1832 O PRO A 229 -1.603 10.518 -0.190 1.00 0.00 O +ATOM 1833 CG PRO A 229 -5.158 8.072 -2.009 1.00 0.00 C +ATOM 1834 CD PRO A 229 -5.340 9.245 -2.928 1.00 0.00 C +ATOM 1835 N LEU A 230 -1.578 10.169 -2.356 1.00 0.00 N +ATOM 1836 CA LEU A 230 -0.173 10.525 -2.518 1.00 0.00 C +ATOM 1837 C LEU A 230 0.065 11.985 -2.147 1.00 0.00 C +ATOM 1838 CB LEU A 230 0.282 10.272 -3.959 1.00 0.00 C +ATOM 1839 O LEU A 230 1.013 12.300 -1.425 1.00 0.00 O +ATOM 1840 CG LEU A 230 1.744 10.592 -4.274 1.00 0.00 C +ATOM 1841 CD1 LEU A 230 2.670 9.749 -3.405 1.00 0.00 C +ATOM 1842 CD2 LEU A 230 2.034 10.363 -5.754 1.00 0.00 C +ATOM 1843 N SER A 231 -0.748 12.797 -2.616 1.00 10.22 N +ATOM 1844 CA SER A 231 -0.658 14.220 -2.307 1.00 10.22 C +ATOM 1845 C SER A 231 -0.789 14.470 -0.809 1.00 10.22 C +ATOM 1846 CB SER A 231 -1.736 15.002 -3.060 1.00 10.22 C +ATOM 1847 O SER A 231 -0.028 15.253 -0.235 1.00 10.22 O +ATOM 1848 OG SER A 231 -1.594 14.834 -4.460 1.00 10.22 O +ATOM 1849 N VAL A 232 -1.676 13.749 -0.122 1.00 0.00 N +ATOM 1850 CA VAL A 232 -1.878 13.853 1.319 1.00 0.00 C +ATOM 1851 C VAL A 232 -0.655 13.308 2.053 1.00 0.00 C +ATOM 1852 CB VAL A 232 -3.149 13.100 1.770 1.00 0.00 C +ATOM 1853 O VAL A 232 -0.142 13.945 2.976 1.00 0.00 O +ATOM 1854 CG1 VAL A 232 -3.252 13.079 3.294 1.00 0.00 C +ATOM 1855 CG2 VAL A 232 -4.394 13.738 1.156 1.00 0.00 C +ATOM 1856 N ILE A 233 -0.113 12.159 1.651 1.00 0.00 N +ATOM 1857 CA ILE A 233 1.084 11.557 2.229 1.00 0.00 C +ATOM 1858 C ILE A 233 2.260 12.522 2.102 1.00 0.00 C +ATOM 1859 CB ILE A 233 1.421 10.209 1.554 1.00 0.00 C +ATOM 1860 O ILE A 233 2.896 12.870 3.100 1.00 0.00 O +ATOM 1861 CG1 ILE A 233 0.399 9.140 1.956 1.00 0.00 C +ATOM 1862 CG2 ILE A 233 2.844 9.768 1.910 1.00 0.00 C +ATOM 1863 CD1 ILE A 233 0.431 7.893 1.083 1.00 0.00 C +ATOM 1864 N ILE A 234 2.544 13.044 0.903 1.00 0.00 N +ATOM 1865 CA ILE A 234 3.631 13.979 0.635 1.00 0.00 C +ATOM 1866 C ILE A 234 3.444 15.241 1.475 1.00 0.00 C +ATOM 1867 CB ILE A 234 3.709 14.340 -0.865 1.00 0.00 C +ATOM 1868 O ILE A 234 4.368 15.677 2.165 1.00 0.00 O +ATOM 1869 CG1 ILE A 234 4.200 13.138 -1.679 1.00 0.00 C +ATOM 1870 CG2 ILE A 234 4.615 15.555 -1.081 1.00 0.00 C +ATOM 1871 CD1 ILE A 234 4.017 13.291 -3.182 1.00 0.00 C +ATOM 1872 N PHE A 235 2.247 15.808 1.539 1.00 0.00 N +ATOM 1873 CA PHE A 235 1.918 16.990 2.327 1.00 0.00 C +ATOM 1874 C PHE A 235 2.169 16.740 3.809 1.00 0.00 C +ATOM 1875 CB PHE A 235 0.459 17.399 2.103 1.00 0.00 C +ATOM 1876 O PHE A 235 2.871 17.513 4.464 1.00 0.00 O +ATOM 1877 CG PHE A 235 -0.003 18.516 3.000 1.00 0.00 C +ATOM 1878 CD1 PHE A 235 0.337 19.834 2.722 1.00 0.00 C +ATOM 1879 CD2 PHE A 235 -0.778 18.247 4.120 1.00 0.00 C +ATOM 1880 CE1 PHE A 235 -0.089 20.870 3.550 1.00 0.00 C +ATOM 1881 CE2 PHE A 235 -1.208 19.277 4.952 1.00 0.00 C +ATOM 1882 CZ PHE A 235 -0.861 20.587 4.666 1.00 0.00 C +ATOM 1883 N CYS A 236 1.641 15.653 4.385 1.00 0.00 N +ATOM 1884 CA CYS A 236 1.828 15.275 5.781 1.00 0.00 C +ATOM 1885 C CYS A 236 3.309 15.167 6.123 1.00 0.00 C +ATOM 1886 CB CYS A 236 1.129 13.948 6.075 1.00 0.00 C +ATOM 1887 O CYS A 236 3.763 15.732 7.120 1.00 0.00 O +ATOM 1888 SG CYS A 236 -0.671 14.076 6.157 1.00 0.00 S +ATOM 1889 N TYR A 237 4.053 14.547 5.233 1.00 0.00 N +ATOM 1890 CA TYR A 237 5.461 14.301 5.524 1.00 0.00 C +ATOM 1891 C TYR A 237 6.283 15.574 5.362 1.00 0.00 C +ATOM 1892 CB TYR A 237 6.015 13.203 4.610 1.00 0.00 C +ATOM 1893 O TYR A 237 7.204 15.829 6.140 1.00 0.00 O +ATOM 1894 CG TYR A 237 5.731 11.804 5.101 1.00 0.00 C +ATOM 1895 CD1 TYR A 237 6.244 11.353 6.316 1.00 0.00 C +ATOM 1896 CD2 TYR A 237 4.950 10.930 4.352 1.00 0.00 C +ATOM 1897 CE1 TYR A 237 5.986 10.065 6.771 1.00 0.00 C +ATOM 1898 CE2 TYR A 237 4.686 9.640 4.798 1.00 0.00 C +ATOM 1899 OH TYR A 237 4.948 7.940 6.453 1.00 0.00 O +ATOM 1900 CZ TYR A 237 5.207 9.217 6.007 1.00 0.00 C +ATOM 1901 N ILE A 238 6.008 16.539 4.445 1.00 0.00 N +ATOM 1902 CA ILE A 238 6.605 17.867 4.351 1.00 0.00 C +ATOM 1903 C ILE A 238 6.320 18.653 5.629 1.00 0.00 C +ATOM 1904 CB ILE A 238 6.079 18.638 3.119 1.00 0.00 C +ATOM 1905 O ILE A 238 7.229 19.240 6.220 1.00 0.00 O +ATOM 1906 CG1 ILE A 238 6.631 18.022 1.828 1.00 0.00 C +ATOM 1907 CG2 ILE A 238 6.441 20.122 3.216 1.00 0.00 C +ATOM 1908 CD1 ILE A 238 5.971 18.546 0.561 1.00 0.00 C +ATOM 1909 N CYS A 239 5.112 18.632 6.190 1.00 0.00 N +ATOM 1910 CA CYS A 239 4.730 19.310 7.424 1.00 0.00 C +ATOM 1911 C CYS A 239 5.480 18.732 8.618 1.00 0.00 C +ATOM 1912 CB CYS A 239 3.223 19.197 7.654 1.00 0.00 C +ATOM 1913 O CYS A 239 6.007 19.478 9.446 1.00 0.00 O +ATOM 1914 SG CYS A 239 2.237 20.204 6.525 1.00 0.00 S +ATOM 1915 N VAL A 240 5.607 17.339 8.719 1.00 0.00 N +ATOM 1916 CA VAL A 240 6.359 16.645 9.759 1.00 0.00 C +ATOM 1917 C VAL A 240 7.830 17.050 9.692 1.00 0.00 C +ATOM 1918 CB VAL A 240 6.222 15.111 9.631 1.00 0.00 C +ATOM 1919 O VAL A 240 8.426 17.418 10.706 1.00 0.00 O +ATOM 1920 CG1 VAL A 240 7.265 14.402 10.493 1.00 0.00 C +ATOM 1921 CG2 VAL A 240 4.813 14.668 10.020 1.00 0.00 C +ATOM 1922 N TRP A 241 8.420 17.065 8.513 1.00 0.00 N +ATOM 1923 CA TRP A 241 9.808 17.456 8.289 1.00 0.00 C +ATOM 1924 C TRP A 241 10.033 18.912 8.681 1.00 0.00 C +ATOM 1925 CB TRP A 241 10.198 17.242 6.824 1.00 0.00 C +ATOM 1926 O TRP A 241 10.987 19.230 9.395 1.00 0.00 O +ATOM 1927 CG TRP A 241 11.565 17.751 6.477 1.00 0.00 C +ATOM 1928 CD1 TRP A 241 12.764 17.184 6.808 1.00 0.00 C +ATOM 1929 CD2 TRP A 241 11.872 18.935 5.734 1.00 0.00 C +ATOM 1930 CE2 TRP A 241 13.280 19.023 5.652 1.00 0.00 C +ATOM 1931 CE3 TRP A 241 11.093 19.930 5.128 1.00 0.00 C +ATOM 1932 NE1 TRP A 241 13.799 17.944 6.315 1.00 0.00 N +ATOM 1933 CH2 TRP A 241 13.139 21.029 4.403 1.00 0.00 C +ATOM 1934 CZ2 TRP A 241 13.925 20.069 4.988 1.00 0.00 C +ATOM 1935 CZ3 TRP A 241 11.737 20.969 4.467 1.00 0.00 C +ATOM 1936 N MET A 242 9.169 19.895 8.324 1.00 3.90 N +ATOM 1937 CA MET A 242 9.232 21.310 8.680 1.00 3.90 C +ATOM 1938 C MET A 242 9.106 21.498 10.188 1.00 3.90 C +ATOM 1939 CB MET A 242 8.134 22.095 7.961 1.00 3.90 C +ATOM 1940 O MET A 242 9.850 22.278 10.785 1.00 3.90 O +ATOM 1941 CG MET A 242 8.376 22.263 6.469 1.00 3.90 C +ATOM 1942 SD MET A 242 7.176 23.410 5.687 1.00 3.90 S +ATOM 1943 CE MET A 242 5.636 22.486 5.943 1.00 3.90 C +ATOM 1944 N ALA A 243 8.219 20.764 10.890 1.00 0.00 N +ATOM 1945 CA ALA A 243 8.011 20.826 12.335 1.00 0.00 C +ATOM 1946 C ALA A 243 9.249 20.349 13.089 1.00 0.00 C +ATOM 1947 CB ALA A 243 6.795 19.994 12.734 1.00 0.00 C +ATOM 1948 O ALA A 243 9.729 21.029 13.999 1.00 0.00 O +ATOM 1949 N ILE A 244 9.824 19.181 12.685 1.00 0.00 N +ATOM 1950 CA ILE A 244 11.029 18.634 13.297 1.00 0.00 C +ATOM 1951 C ILE A 244 12.198 19.594 13.084 1.00 0.00 C +ATOM 1952 CB ILE A 244 11.370 17.239 12.724 1.00 0.00 C +ATOM 1953 O ILE A 244 12.966 19.862 14.011 1.00 0.00 O +ATOM 1954 CG1 ILE A 244 10.325 16.210 13.168 1.00 0.00 C +ATOM 1955 CG2 ILE A 244 12.778 16.810 13.150 1.00 0.00 C +ATOM 1956 CD1 ILE A 244 10.423 14.876 12.441 1.00 0.00 C +ATOM 1957 N ARG A 245 12.363 20.249 11.927 1.00 6.77 N +ATOM 1958 CA ARG A 245 13.398 21.233 11.624 1.00 6.77 C +ATOM 1959 C ARG A 245 13.230 22.484 12.480 1.00 6.77 C +ATOM 1960 CB ARG A 245 13.368 21.606 10.140 1.00 6.77 C +ATOM 1961 O ARG A 245 14.213 23.035 12.982 1.00 6.77 O +ATOM 1962 CG ARG A 245 14.143 20.649 9.249 1.00 6.77 C +ATOM 1963 CD ARG A 245 14.305 21.198 7.838 1.00 6.77 C +ATOM 1964 NE ARG A 245 15.340 20.483 7.097 1.00 6.77 N +ATOM 1965 NH1 ARG A 245 15.393 21.970 5.330 1.00 6.77 N +ATOM 1966 NH2 ARG A 245 16.774 20.140 5.336 1.00 6.77 N +ATOM 1967 CZ ARG A 245 15.833 20.866 5.923 1.00 6.77 C +ATOM 1968 N ALA A 246 12.020 22.947 12.700 1.00 0.00 N +ATOM 1969 CA ALA A 246 11.742 24.091 13.565 1.00 0.00 C +ATOM 1970 C ALA A 246 12.156 23.804 15.005 1.00 0.00 C +ATOM 1971 CB ALA A 246 10.261 24.457 13.503 1.00 0.00 C +ATOM 1972 O ALA A 246 12.851 24.609 15.630 1.00 0.00 O +ATOM 1973 N VAL A 247 11.872 22.569 15.557 1.00 0.00 N +ATOM 1974 CA VAL A 247 12.260 22.136 16.896 1.00 0.00 C +ATOM 1975 C VAL A 247 13.777 21.982 16.970 1.00 0.00 C +ATOM 1976 CB VAL A 247 11.570 20.809 17.285 1.00 0.00 C +ATOM 1977 O VAL A 247 14.411 22.464 17.912 1.00 0.00 O +ATOM 1978 CG1 VAL A 247 12.123 20.280 18.607 1.00 0.00 C +ATOM 1979 CG2 VAL A 247 10.057 21.000 17.373 1.00 0.00 C +ATOM 1980 N ALA A 248 14.435 21.422 15.902 1.00 0.00 N +ATOM 1981 CA ALA A 248 15.880 21.221 15.835 1.00 0.00 C +ATOM 1982 C ALA A 248 16.618 22.555 15.775 1.00 0.00 C +ATOM 1983 CB ALA A 248 16.242 20.362 14.626 1.00 0.00 C +ATOM 1984 O ALA A 248 17.726 22.683 16.301 1.00 0.00 O +ATOM 1985 N GLN A 249 16.044 23.614 15.226 1.00 0.00 N +ATOM 1986 CA GLN A 249 16.610 24.957 15.164 1.00 0.00 C +ATOM 1987 C GLN A 249 16.513 25.658 16.516 1.00 0.00 C +ATOM 1988 CB GLN A 249 15.905 25.788 14.090 1.00 0.00 C +ATOM 1989 O GLN A 249 17.395 26.438 16.881 1.00 0.00 O +ATOM 1990 CG GLN A 249 16.356 25.469 12.671 1.00 0.00 C +ATOM 1991 CD GLN A 249 15.571 26.231 11.620 1.00 0.00 C +ATOM 1992 NE2 GLN A 249 15.989 26.112 10.365 1.00 0.00 N +ATOM 1993 OE1 GLN A 249 14.595 26.921 11.934 1.00 0.00 O +ATOM 1994 N GLN A 250 15.440 25.270 17.340 1.00 0.00 N +ATOM 1995 CA GLN A 250 15.246 25.824 18.676 1.00 0.00 C +ATOM 1996 C GLN A 250 16.127 25.113 19.700 1.00 0.00 C +ATOM 1997 CB GLN A 250 13.777 25.725 19.091 1.00 0.00 C +ATOM 1998 O GLN A 250 16.600 25.732 20.656 1.00 0.00 O +ATOM 1999 CG GLN A 250 12.859 26.673 18.331 1.00 0.00 C +ATOM 2000 CD GLN A 250 11.393 26.462 18.663 1.00 0.00 C +ATOM 2001 NE2 GLN A 250 10.541 27.360 18.179 1.00 0.00 N +ATOM 2002 OE1 GLN A 250 11.030 25.501 19.348 1.00 0.00 O +ATOM 2003 N GLN A 251 16.391 23.778 19.422 1.00 0.00 N +ATOM 2004 CA GLN A 251 17.125 22.928 20.353 1.00 0.00 C +ATOM 2005 C GLN A 251 18.439 22.450 19.742 1.00 0.00 C +ATOM 2006 CB GLN A 251 16.274 21.728 20.771 1.00 0.00 C +ATOM 2007 O GLN A 251 18.753 21.258 19.784 1.00 0.00 O +ATOM 2008 CG GLN A 251 15.056 22.100 21.606 1.00 0.00 C +ATOM 2009 CD GLN A 251 14.280 20.887 22.084 1.00 0.00 C +ATOM 2010 NE2 GLN A 251 13.449 21.079 23.103 1.00 0.00 N +ATOM 2011 OE1 GLN A 251 14.424 19.787 21.541 1.00 0.00 O +ATOM 2012 N LYS A 252 19.243 23.370 19.225 1.00 0.00 N +ATOM 2013 CA LYS A 252 20.442 23.119 18.431 1.00 0.00 C +ATOM 2014 C LYS A 252 21.413 22.206 19.174 1.00 0.00 C +ATOM 2015 CB LYS A 252 21.133 24.435 18.070 1.00 0.00 C +ATOM 2016 O LYS A 252 22.169 21.458 18.552 1.00 0.00 O +ATOM 2017 CG LYS A 252 20.460 25.198 16.939 1.00 0.00 C +ATOM 2018 CD LYS A 252 21.240 26.453 16.569 1.00 0.00 C +ATOM 2019 CE LYS A 252 20.596 27.189 15.402 1.00 0.00 C +ATOM 2020 NZ LYS A 252 21.335 28.442 15.062 1.00 0.00 N +ATOM 2021 N ASP A 253 21.266 22.233 20.560 1.00 0.00 N +ATOM 2022 CA ASP A 253 22.261 21.572 21.400 1.00 0.00 C +ATOM 2023 C ASP A 253 21.812 20.162 21.776 1.00 0.00 C +ATOM 2024 CB ASP A 253 22.528 22.393 22.663 1.00 0.00 C +ATOM 2025 O ASP A 253 22.576 19.400 22.372 1.00 0.00 O +ATOM 2026 CG ASP A 253 23.020 23.798 22.364 1.00 0.00 C +ATOM 2027 OD1 ASP A 253 23.758 23.988 21.373 1.00 0.00 O +ATOM 2028 OD2 ASP A 253 22.670 24.724 23.128 1.00 0.00 O +ATOM 2029 N SER A 254 20.634 19.834 21.341 1.00 0.00 N +ATOM 2030 CA SER A 254 20.147 18.500 21.678 1.00 0.00 C +ATOM 2031 C SER A 254 20.450 17.504 20.564 1.00 0.00 C +ATOM 2032 CB SER A 254 18.643 18.531 21.951 1.00 0.00 C +ATOM 2033 O SER A 254 19.694 17.400 19.595 1.00 0.00 O +ATOM 2034 OG SER A 254 18.174 17.248 22.328 1.00 0.00 O +ATOM 2035 N GLU A 255 21.567 16.729 20.660 1.00 0.00 N +ATOM 2036 CA GLU A 255 21.977 15.643 19.775 1.00 0.00 C +ATOM 2037 C GLU A 255 20.837 14.654 19.551 1.00 0.00 C +ATOM 2038 CB GLU A 255 23.199 14.918 20.344 1.00 0.00 C +ATOM 2039 O GLU A 255 20.654 14.150 18.441 1.00 0.00 O +ATOM 2040 CG GLU A 255 23.838 13.935 19.374 1.00 0.00 C +ATOM 2041 CD GLU A 255 24.996 13.158 19.982 1.00 0.00 C +ATOM 2042 OE1 GLU A 255 25.420 13.488 21.112 1.00 0.00 O +ATOM 2043 OE2 GLU A 255 25.482 12.214 19.321 1.00 0.00 O +ATOM 2044 N SER A 256 20.023 14.378 20.525 1.00 0.00 N +ATOM 2045 CA SER A 256 18.876 13.478 20.475 1.00 0.00 C +ATOM 2046 C SER A 256 17.830 13.971 19.480 1.00 0.00 C +ATOM 2047 CB SER A 256 18.245 13.335 21.861 1.00 0.00 C +ATOM 2048 O SER A 256 17.312 13.191 18.678 1.00 0.00 O +ATOM 2049 OG SER A 256 17.764 14.584 22.326 1.00 0.00 O +ATOM 2050 N THR A 257 17.544 15.268 19.430 1.00 0.00 N +ATOM 2051 CA THR A 257 16.581 15.873 18.517 1.00 0.00 C +ATOM 2052 C THR A 257 17.083 15.804 17.078 1.00 0.00 C +ATOM 2053 CB THR A 257 16.296 17.338 18.894 1.00 0.00 C +ATOM 2054 O THR A 257 16.341 15.415 16.173 1.00 0.00 O +ATOM 2055 CG2 THR A 257 15.244 17.949 17.974 1.00 0.00 C +ATOM 2056 OG1 THR A 257 15.824 17.394 20.246 1.00 0.00 O +ATOM 2057 N GLN A 258 18.441 16.115 16.880 1.00 0.00 N +ATOM 2058 CA GLN A 258 19.033 16.024 15.549 1.00 0.00 C +ATOM 2059 C GLN A 258 18.992 14.591 15.026 1.00 0.00 C +ATOM 2060 CB GLN A 258 20.474 16.537 15.566 1.00 0.00 C +ATOM 2061 O GLN A 258 18.708 14.363 13.848 1.00 0.00 O +ATOM 2062 CG GLN A 258 20.592 18.032 15.826 1.00 0.00 C +ATOM 2063 CD GLN A 258 22.020 18.534 15.727 1.00 0.00 C +ATOM 2064 NE2 GLN A 258 22.247 19.767 16.168 1.00 0.00 N +ATOM 2065 OE1 GLN A 258 22.912 17.820 15.260 1.00 0.00 O +ATOM 2066 N LYS A 259 19.219 13.646 15.861 1.00 0.00 N +ATOM 2067 CA LYS A 259 19.146 12.232 15.504 1.00 0.00 C +ATOM 2068 C LYS A 259 17.716 11.825 15.159 1.00 0.00 C +ATOM 2069 CB LYS A 259 19.678 11.362 16.644 1.00 0.00 C +ATOM 2070 O LYS A 259 17.476 11.193 14.129 1.00 0.00 O +ATOM 2071 CG LYS A 259 19.747 9.879 16.311 1.00 0.00 C +ATOM 2072 CD LYS A 259 20.377 9.080 17.445 1.00 0.00 C +ATOM 2073 CE LYS A 259 20.447 7.596 17.112 1.00 0.00 C +ATOM 2074 NZ LYS A 259 21.110 6.815 18.200 1.00 0.00 N +ATOM 2075 N ALA A 260 16.791 12.215 15.918 1.00 0.00 N +ATOM 2076 CA ALA A 260 15.381 11.947 15.650 1.00 0.00 C +ATOM 2077 C ALA A 260 14.942 12.583 14.334 1.00 0.00 C +ATOM 2078 CB ALA A 260 14.514 12.458 16.799 1.00 0.00 C +ATOM 2079 O ALA A 260 14.274 11.941 13.520 1.00 0.00 O +ATOM 2080 N GLU A 261 15.423 13.839 14.052 1.00 0.00 N +ATOM 2081 CA GLU A 261 15.167 14.524 12.788 1.00 0.00 C +ATOM 2082 C GLU A 261 15.706 13.723 11.607 1.00 0.00 C +ATOM 2083 CB GLU A 261 15.786 15.924 12.801 1.00 0.00 C +ATOM 2084 O GLU A 261 14.985 13.473 10.639 1.00 0.00 O +ATOM 2085 CG GLU A 261 15.436 16.762 11.580 1.00 0.00 C +ATOM 2086 CD GLU A 261 16.177 18.089 11.531 1.00 0.00 C +ATOM 2087 OE1 GLU A 261 16.870 18.434 12.515 1.00 0.00 O +ATOM 2088 OE2 GLU A 261 16.061 18.790 10.501 1.00 0.00 O +ATOM 2089 N LYS A 262 16.876 13.287 11.685 1.00 0.00 N +ATOM 2090 CA LYS A 262 17.529 12.538 10.615 1.00 0.00 C +ATOM 2091 C LYS A 262 16.841 11.196 10.383 1.00 0.00 C +ATOM 2092 CB LYS A 262 19.008 12.319 10.939 1.00 0.00 C +ATOM 2093 O LYS A 262 16.649 10.781 9.239 1.00 0.00 O +ATOM 2094 CG LYS A 262 19.877 13.549 10.723 1.00 0.00 C +ATOM 2095 CD LYS A 262 21.311 13.307 11.178 1.00 0.00 C +ATOM 2096 CE LYS A 262 22.166 14.557 11.023 1.00 0.00 C +ATOM 2097 NZ LYS A 262 23.539 14.362 11.579 1.00 0.00 N +ATOM 2098 N GLU A 263 16.382 10.514 11.422 1.00 0.00 N +ATOM 2099 CA GLU A 263 15.701 9.227 11.316 1.00 0.00 C +ATOM 2100 C GLU A 263 14.326 9.381 10.674 1.00 0.00 C +ATOM 2101 CB GLU A 263 15.568 8.574 12.695 1.00 0.00 C +ATOM 2102 O GLU A 263 13.990 8.660 9.732 1.00 0.00 O +ATOM 2103 CG GLU A 263 16.860 7.958 13.211 1.00 0.00 C +ATOM 2104 CD GLU A 263 16.680 7.189 14.511 1.00 0.00 C +ATOM 2105 OE1 GLU A 263 15.580 7.250 15.105 1.00 0.00 O +ATOM 2106 OE2 GLU A 263 17.648 6.521 14.938 1.00 0.00 O +ATOM 2107 N VAL A 264 13.591 10.359 11.029 1.00 0.00 N +ATOM 2108 CA VAL A 264 12.262 10.616 10.484 1.00 0.00 C +ATOM 2109 C VAL A 264 12.379 11.107 9.043 1.00 0.00 C +ATOM 2110 CB VAL A 264 11.488 11.646 11.338 1.00 0.00 C +ATOM 2111 O VAL A 264 11.680 10.615 8.154 1.00 0.00 O +ATOM 2112 CG1 VAL A 264 10.194 12.062 10.640 1.00 0.00 C +ATOM 2113 CG2 VAL A 264 11.192 11.075 12.723 1.00 0.00 C +ATOM 2114 N SER A 265 13.301 12.072 8.800 1.00 0.00 N +ATOM 2115 CA SER A 265 13.537 12.543 7.439 1.00 0.00 C +ATOM 2116 C SER A 265 13.896 11.389 6.509 1.00 0.00 C +ATOM 2117 CB SER A 265 14.652 13.589 7.420 1.00 0.00 C +ATOM 2118 O SER A 265 13.331 11.263 5.421 1.00 0.00 O +ATOM 2119 OG SER A 265 14.292 14.722 8.192 1.00 0.00 O +ATOM 2120 N ARG A 266 14.771 10.586 6.953 1.00 0.00 N +ATOM 2121 CA ARG A 266 15.161 9.401 6.197 1.00 0.00 C +ATOM 2122 C ARG A 266 13.967 8.482 5.964 1.00 0.00 C +ATOM 2123 CB ARG A 266 16.273 8.641 6.923 1.00 0.00 C +ATOM 2124 O ARG A 266 13.763 7.989 4.853 1.00 0.00 O +ATOM 2125 CG ARG A 266 16.825 7.460 6.141 1.00 0.00 C +ATOM 2126 CD ARG A 266 17.947 6.759 6.894 1.00 0.00 C +ATOM 2127 NE ARG A 266 18.426 5.582 6.175 1.00 0.00 N +ATOM 2128 NH1 ARG A 266 20.029 5.022 7.741 1.00 0.00 N +ATOM 2129 NH2 ARG A 266 19.761 3.740 5.860 1.00 0.00 N +ATOM 2130 CZ ARG A 266 19.404 4.784 6.594 1.00 0.00 C +ATOM 2131 N MET A 267 13.168 8.265 6.903 1.00 0.00 N +ATOM 2132 CA MET A 267 11.967 7.442 6.800 1.00 0.00 C +ATOM 2133 C MET A 267 11.003 8.011 5.764 1.00 0.00 C +ATOM 2134 CB MET A 267 11.270 7.334 8.158 1.00 0.00 C +ATOM 2135 O MET A 267 10.522 7.284 4.893 1.00 0.00 O +ATOM 2136 CG MET A 267 10.060 6.414 8.156 1.00 0.00 C +ATOM 2137 SD MET A 267 9.222 6.351 9.787 1.00 0.00 S +ATOM 2138 CE MET A 267 8.444 7.990 9.811 1.00 0.00 C +ATOM 2139 N VAL A 268 10.773 9.285 5.792 1.00 0.00 N +ATOM 2140 CA VAL A 268 9.886 9.994 4.875 1.00 0.00 C +ATOM 2141 C VAL A 268 10.379 9.822 3.441 1.00 0.00 C +ATOM 2142 CB VAL A 268 9.786 11.495 5.229 1.00 0.00 C +ATOM 2143 O VAL A 268 9.616 9.421 2.559 1.00 0.00 O +ATOM 2144 CG1 VAL A 268 9.059 12.262 4.126 1.00 0.00 C +ATOM 2145 CG2 VAL A 268 9.078 11.681 6.570 1.00 0.00 C +ATOM 2146 N VAL A 269 11.632 10.100 3.245 1.00 4.60 N +ATOM 2147 CA VAL A 269 12.231 10.026 1.916 1.00 4.60 C +ATOM 2148 C VAL A 269 12.146 8.595 1.390 1.00 4.60 C +ATOM 2149 CB VAL A 269 13.700 10.503 1.928 1.00 4.60 C +ATOM 2150 O VAL A 269 11.718 8.369 0.256 1.00 4.60 O +ATOM 2151 CG1 VAL A 269 14.387 10.167 0.606 1.00 4.60 C +ATOM 2152 CG2 VAL A 269 13.771 12.004 2.205 1.00 4.60 C +ATOM 2153 N VAL A 270 12.402 7.580 2.221 1.00 0.00 N +ATOM 2154 CA VAL A 270 12.383 6.180 1.811 1.00 0.00 C +ATOM 2155 C VAL A 270 10.951 5.756 1.490 1.00 0.00 C +ATOM 2156 CB VAL A 270 12.979 5.261 2.901 1.00 0.00 C +ATOM 2157 O VAL A 270 10.707 5.087 0.483 1.00 0.00 O +ATOM 2158 CG1 VAL A 270 12.711 3.793 2.575 1.00 0.00 C +ATOM 2159 CG2 VAL A 270 14.478 5.513 3.048 1.00 0.00 C +ATOM 2160 N MET A 271 9.993 6.199 2.206 1.00 0.00 N +ATOM 2161 CA MET A 271 8.589 5.872 1.978 1.00 0.00 C +ATOM 2162 C MET A 271 8.085 6.508 0.687 1.00 0.00 C +ATOM 2163 CB MET A 271 7.730 6.332 3.157 1.00 0.00 C +ATOM 2164 O MET A 271 7.470 5.835 -0.143 1.00 0.00 O +ATOM 2165 CG MET A 271 7.884 5.471 4.400 1.00 0.00 C +ATOM 2166 SD MET A 271 6.763 5.989 5.757 1.00 0.00 S +ATOM 2167 CE MET A 271 5.188 5.331 5.140 1.00 0.00 C +ATOM 2168 N ILE A 272 8.334 7.789 0.477 1.00 0.00 N +ATOM 2169 CA ILE A 272 7.935 8.503 -0.731 1.00 0.00 C +ATOM 2170 C ILE A 272 8.591 7.859 -1.951 1.00 0.00 C +ATOM 2171 CB ILE A 272 8.305 10.001 -0.651 1.00 0.00 C +ATOM 2172 O ILE A 272 7.925 7.593 -2.954 1.00 0.00 O +ATOM 2173 CG1 ILE A 272 7.421 10.715 0.378 1.00 0.00 C +ATOM 2174 CG2 ILE A 272 8.186 10.661 -2.028 1.00 0.00 C +ATOM 2175 CD1 ILE A 272 7.865 12.137 0.694 1.00 0.00 C +ATOM 2176 N LEU A 273 9.919 7.530 -1.842 1.00 0.30 N +ATOM 2177 CA LEU A 273 10.653 6.909 -2.939 1.00 0.30 C +ATOM 2178 C LEU A 273 10.121 5.509 -3.226 1.00 0.30 C +ATOM 2179 CB LEU A 273 12.148 6.844 -2.614 1.00 0.30 C +ATOM 2180 O LEU A 273 9.892 5.152 -4.384 1.00 0.30 O +ATOM 2181 CG LEU A 273 12.904 8.173 -2.631 1.00 0.30 C +ATOM 2182 CD1 LEU A 273 14.352 7.964 -2.197 1.00 0.30 C +ATOM 2183 CD2 LEU A 273 12.842 8.807 -4.016 1.00 0.30 C +ATOM 2184 N ALA A 274 9.915 4.672 -2.230 1.00 0.00 N +ATOM 2185 CA ALA A 274 9.348 3.334 -2.378 1.00 0.00 C +ATOM 2186 C ALA A 274 7.978 3.389 -3.048 1.00 0.00 C +ATOM 2187 CB ALA A 274 9.246 2.646 -1.019 1.00 0.00 C +ATOM 2188 O ALA A 274 7.707 2.634 -3.984 1.00 0.00 O +ATOM 2189 N TYR A 275 7.258 4.314 -2.732 1.00 70.06 N +ATOM 2190 CA TYR A 275 5.933 4.511 -3.310 1.00 70.06 C +ATOM 2191 C TYR A 275 6.034 4.967 -4.761 1.00 70.06 C +ATOM 2192 CB TYR A 275 5.137 5.534 -2.495 1.00 70.06 C +ATOM 2193 O TYR A 275 5.383 4.402 -5.643 1.00 70.06 O +ATOM 2194 CG TYR A 275 3.666 5.566 -2.831 1.00 70.06 C +ATOM 2195 CD1 TYR A 275 3.180 6.395 -3.840 1.00 70.06 C +ATOM 2196 CD2 TYR A 275 2.759 4.769 -2.141 1.00 70.06 C +ATOM 2197 CE1 TYR A 275 1.825 6.429 -4.152 1.00 70.06 C +ATOM 2198 CE2 TYR A 275 1.402 4.795 -2.444 1.00 70.06 C +ATOM 2199 OH TYR A 275 -0.397 5.656 -3.755 1.00 70.06 O +ATOM 2200 CZ TYR A 275 0.945 5.626 -3.450 1.00 70.06 C +ATOM 2201 N CYS A 276 6.721 6.128 -4.992 1.00 0.00 N +ATOM 2202 CA CYS A 276 6.923 6.641 -6.342 1.00 0.00 C +ATOM 2203 C CYS A 276 7.479 5.558 -7.259 1.00 0.00 C +ATOM 2204 CB CYS A 276 7.869 7.841 -6.323 1.00 0.00 C +ATOM 2205 O CYS A 276 7.075 5.453 -8.418 1.00 0.00 O +ATOM 2206 SG CYS A 276 7.144 9.328 -5.598 1.00 0.00 S +ATOM 2207 N PHE A 277 8.330 4.703 -6.712 1.00 0.00 N +ATOM 2208 CA PHE A 277 8.942 3.616 -7.467 1.00 0.00 C +ATOM 2209 C PHE A 277 7.926 2.518 -7.757 1.00 0.00 C +ATOM 2210 CB PHE A 277 10.138 3.037 -6.705 1.00 0.00 C +ATOM 2211 O PHE A 277 7.880 1.984 -8.867 1.00 0.00 O +ATOM 2212 CG PHE A 277 10.840 1.922 -7.432 1.00 0.00 C +ATOM 2213 CD1 PHE A 277 11.715 2.197 -8.476 1.00 0.00 C +ATOM 2214 CD2 PHE A 277 10.623 0.598 -7.073 1.00 0.00 C +ATOM 2215 CE1 PHE A 277 12.366 1.167 -9.151 1.00 0.00 C +ATOM 2216 CE2 PHE A 277 11.270 -0.436 -7.743 1.00 0.00 C +ATOM 2217 CZ PHE A 277 12.140 -0.150 -8.782 1.00 0.00 C +ATOM 2218 N CYS A 278 6.976 2.172 -6.899 1.00 0.00 N +ATOM 2219 CA CYS A 278 6.036 1.064 -7.025 1.00 0.00 C +ATOM 2220 C CYS A 278 4.786 1.493 -7.784 1.00 0.00 C +ATOM 2221 CB CYS A 278 5.649 0.530 -5.646 1.00 0.00 C +ATOM 2222 O CYS A 278 4.355 0.810 -8.715 1.00 0.00 O +ATOM 2223 SG CYS A 278 7.006 -0.279 -4.771 1.00 0.00 S +ATOM 2224 N TRP A 279 4.268 2.663 -7.477 1.00 0.00 N +ATOM 2225 CA TRP A 279 2.954 3.082 -7.956 1.00 0.00 C +ATOM 2226 C TRP A 279 3.085 4.123 -9.063 1.00 0.00 C +ATOM 2227 CB TRP A 279 2.117 3.646 -6.804 1.00 0.00 C +ATOM 2228 O TRP A 279 2.165 4.305 -9.864 1.00 0.00 O +ATOM 2229 CG TRP A 279 1.588 2.601 -5.868 1.00 0.00 C +ATOM 2230 CD1 TRP A 279 2.123 2.224 -4.667 1.00 0.00 C +ATOM 2231 CD2 TRP A 279 0.421 1.795 -6.058 1.00 0.00 C +ATOM 2232 CE2 TRP A 279 0.309 0.951 -4.931 1.00 0.00 C +ATOM 2233 CE3 TRP A 279 -0.542 1.706 -7.072 1.00 0.00 C +ATOM 2234 NE1 TRP A 279 1.358 1.232 -4.099 1.00 0.00 N +ATOM 2235 CH2 TRP A 279 -1.659 -0.040 -5.798 1.00 0.00 C +ATOM 2236 CZ2 TRP A 279 -0.730 0.027 -4.791 1.00 0.00 C +ATOM 2237 CZ3 TRP A 279 -1.575 0.787 -6.931 1.00 0.00 C +ATOM 2238 N GLY A 280 4.217 4.865 -9.134 1.00 0.00 N +ATOM 2239 CA GLY A 280 4.471 5.866 -10.157 1.00 0.00 C +ATOM 2240 C GLY A 280 4.355 5.321 -11.568 1.00 0.00 C +ATOM 2241 O GLY A 280 3.560 5.818 -12.368 1.00 0.00 O +ATOM 2242 N PRO A 281 5.113 4.169 -11.891 1.00 0.00 N +ATOM 2243 CA PRO A 281 4.975 3.566 -13.219 1.00 0.00 C +ATOM 2244 C PRO A 281 3.547 3.112 -13.516 1.00 0.00 C +ATOM 2245 CB PRO A 281 5.928 2.370 -13.164 1.00 0.00 C +ATOM 2246 O PRO A 281 3.032 3.360 -14.609 1.00 0.00 O +ATOM 2247 CG PRO A 281 6.985 2.768 -12.186 1.00 0.00 C +ATOM 2248 CD PRO A 281 6.337 3.535 -11.069 1.00 0.00 C +ATOM 2249 N TYR A 282 2.846 2.465 -12.564 1.00 0.00 N +ATOM 2250 CA TYR A 282 1.459 2.038 -12.705 1.00 0.00 C +ATOM 2251 C TYR A 282 0.548 3.227 -12.988 1.00 0.00 C +ATOM 2252 CB TYR A 282 0.989 1.310 -11.442 1.00 0.00 C +ATOM 2253 O TYR A 282 -0.188 3.231 -13.978 1.00 0.00 O +ATOM 2254 CG TYR A 282 -0.425 0.789 -11.532 1.00 0.00 C +ATOM 2255 CD1 TYR A 282 -0.702 -0.427 -12.154 1.00 0.00 C +ATOM 2256 CD2 TYR A 282 -1.486 1.510 -10.997 1.00 0.00 C +ATOM 2257 CE1 TYR A 282 -2.003 -0.910 -12.242 1.00 0.00 C +ATOM 2258 CE2 TYR A 282 -2.792 1.037 -11.078 1.00 0.00 C +ATOM 2259 OH TYR A 282 -4.330 -0.647 -11.785 1.00 0.00 O +ATOM 2260 CZ TYR A 282 -3.040 -0.173 -11.701 1.00 0.00 C +ATOM 2261 N THR A 283 0.631 4.308 -12.170 1.00100.00 N +ATOM 2262 CA THR A 283 -0.131 5.541 -12.331 1.00100.00 C +ATOM 2263 C THR A 283 0.158 6.182 -13.685 1.00100.00 C +ATOM 2264 CB THR A 283 0.186 6.544 -11.207 1.00100.00 C +ATOM 2265 O THR A 283 -0.765 6.558 -14.410 1.00100.00 O +ATOM 2266 CG2 THR A 283 -0.658 7.807 -11.343 1.00100.00 C +ATOM 2267 OG1 THR A 283 -0.087 5.934 -9.939 1.00100.00 O +ATOM 2268 N PHE A 284 1.425 6.271 -14.078 1.00 1.64 N +ATOM 2269 CA PHE A 284 1.839 6.825 -15.362 1.00 1.64 C +ATOM 2270 C PHE A 284 1.223 6.040 -16.514 1.00 1.64 C +ATOM 2271 CB PHE A 284 3.366 6.823 -15.482 1.00 1.64 C +ATOM 2272 O PHE A 284 0.608 6.623 -17.409 1.00 1.64 O +ATOM 2273 CG PHE A 284 3.868 7.220 -16.844 1.00 1.64 C +ATOM 2274 CD1 PHE A 284 3.986 8.560 -17.193 1.00 1.64 C +ATOM 2275 CD2 PHE A 284 4.223 6.253 -17.775 1.00 1.64 C +ATOM 2276 CE1 PHE A 284 4.451 8.930 -18.453 1.00 1.64 C +ATOM 2277 CE2 PHE A 284 4.688 6.615 -19.036 1.00 1.64 C +ATOM 2278 CZ PHE A 284 4.800 7.954 -19.374 1.00 1.64 C +ATOM 2279 N PHE A 285 1.274 4.755 -16.482 1.00 0.00 N +ATOM 2280 CA PHE A 285 0.775 3.909 -17.559 1.00 0.00 C +ATOM 2281 C PHE A 285 -0.745 3.988 -17.649 1.00 0.00 C +ATOM 2282 CB PHE A 285 1.213 2.456 -17.351 1.00 0.00 C +ATOM 2283 O PHE A 285 -1.303 4.078 -18.745 1.00 0.00 O +ATOM 2284 CG PHE A 285 2.513 2.111 -18.026 1.00 0.00 C +ATOM 2285 CD1 PHE A 285 2.529 1.623 -19.327 1.00 0.00 C +ATOM 2286 CD2 PHE A 285 3.720 2.276 -17.360 1.00 0.00 C +ATOM 2287 CE1 PHE A 285 3.730 1.304 -19.955 1.00 0.00 C +ATOM 2288 CE2 PHE A 285 4.925 1.959 -17.981 1.00 0.00 C +ATOM 2289 CZ PHE A 285 4.928 1.472 -19.278 1.00 0.00 C +ATOM 2290 N VAL A 286 -1.458 4.007 -16.538 1.00 0.00 N +ATOM 2291 CA VAL A 286 -2.912 4.132 -16.537 1.00 0.00 C +ATOM 2292 C VAL A 286 -3.312 5.523 -17.022 1.00 0.00 C +ATOM 2293 CB VAL A 286 -3.505 3.864 -15.136 1.00 0.00 C +ATOM 2294 O VAL A 286 -4.174 5.661 -17.893 1.00 0.00 O +ATOM 2295 CG1 VAL A 286 -5.000 4.174 -15.114 1.00 0.00 C +ATOM 2296 CG2 VAL A 286 -3.248 2.418 -14.716 1.00 0.00 C +ATOM 2297 N CYS A 287 -2.669 6.638 -16.589 1.00 0.00 N +ATOM 2298 CA CYS A 287 -2.917 8.001 -17.044 1.00 0.00 C +ATOM 2299 C CYS A 287 -2.637 8.138 -18.536 1.00 0.00 C +ATOM 2300 CB CYS A 287 -2.058 8.993 -16.261 1.00 0.00 C +ATOM 2301 O CYS A 287 -3.457 8.679 -19.279 1.00 0.00 O +ATOM 2302 SG CYS A 287 -2.588 9.224 -14.550 1.00 0.00 S +ATOM 2303 N PHE A 288 -1.523 7.590 -18.969 1.00 0.00 N +ATOM 2304 CA PHE A 288 -1.123 7.646 -20.371 1.00 0.00 C +ATOM 2305 C PHE A 288 -2.088 6.852 -21.242 1.00 0.00 C +ATOM 2306 CB PHE A 288 0.303 7.113 -20.546 1.00 0.00 C +ATOM 2307 O PHE A 288 -2.595 7.364 -22.242 1.00 0.00 O +ATOM 2308 CG PHE A 288 0.846 7.280 -21.939 1.00 0.00 C +ATOM 2309 CD1 PHE A 288 1.587 8.404 -22.282 1.00 0.00 C +ATOM 2310 CD2 PHE A 288 0.615 6.311 -22.908 1.00 0.00 C +ATOM 2311 CE1 PHE A 288 2.091 8.561 -23.571 1.00 0.00 C +ATOM 2312 CE2 PHE A 288 1.115 6.461 -24.198 1.00 0.00 C +ATOM 2313 CZ PHE A 288 1.852 7.587 -24.528 1.00 0.00 C +ATOM 2314 N GLY A 289 -2.420 5.585 -20.868 1.00 8.24 N +ATOM 2315 CA GLY A 289 -3.387 4.770 -21.585 1.00 8.24 C +ATOM 2316 C GLY A 289 -4.769 5.395 -21.641 1.00 8.24 C +ATOM 2317 O GLY A 289 -5.443 5.332 -22.671 1.00 8.24 O +ATOM 2318 N THR A 290 -5.209 6.144 -20.608 1.00 2.13 N +ATOM 2319 CA THR A 290 -6.474 6.870 -20.561 1.00 2.13 C +ATOM 2320 C THR A 290 -6.415 8.117 -21.439 1.00 2.13 C +ATOM 2321 CB THR A 290 -6.836 7.270 -19.119 1.00 2.13 C +ATOM 2322 O THR A 290 -7.397 8.468 -22.095 1.00 2.13 O +ATOM 2323 CG2 THR A 290 -8.202 7.946 -19.062 1.00 2.13 C +ATOM 2324 OG1 THR A 290 -6.860 6.098 -18.296 1.00 2.13 O +ATOM 2325 N ALA A 291 -5.244 8.819 -21.562 1.00 0.09 N +ATOM 2326 CA ALA A 291 -5.055 10.042 -22.338 1.00 0.09 C +ATOM 2327 C ALA A 291 -4.887 9.730 -23.822 1.00 0.09 C +ATOM 2328 CB ALA A 291 -3.847 10.820 -21.821 1.00 0.09 C +ATOM 2329 O ALA A 291 -5.302 10.514 -24.679 1.00 0.09 O +ATOM 2330 N TYR A 292 -4.344 8.617 -24.100 1.00 2.13 N +ATOM 2331 CA TYR A 292 -4.043 8.224 -25.472 1.00 2.13 C +ATOM 2332 C TYR A 292 -4.643 6.860 -25.792 1.00 2.13 C +ATOM 2333 CB TYR A 292 -2.529 8.196 -25.704 1.00 2.13 C +ATOM 2334 O TYR A 292 -3.913 5.891 -26.013 1.00 2.13 O +ATOM 2335 CG TYR A 292 -1.853 9.524 -25.464 1.00 2.13 C +ATOM 2336 CD1 TYR A 292 -1.868 10.521 -26.437 1.00 2.13 C +ATOM 2337 CD2 TYR A 292 -1.198 9.785 -24.265 1.00 2.13 C +ATOM 2338 CE1 TYR A 292 -1.245 11.746 -26.222 1.00 2.13 C +ATOM 2339 CE2 TYR A 292 -0.572 11.006 -24.039 1.00 2.13 C +ATOM 2340 OH TYR A 292 0.017 13.190 -24.803 1.00 2.13 O +ATOM 2341 CZ TYR A 292 -0.601 11.979 -25.022 1.00 2.13 C +ATOM 2342 N PRO A 293 -5.996 6.929 -25.844 1.00 0.00 N +ATOM 2343 CA PRO A 293 -6.661 5.685 -26.239 1.00 0.00 C +ATOM 2344 C PRO A 293 -6.231 5.199 -27.621 1.00 0.00 C +ATOM 2345 CB PRO A 293 -8.145 6.061 -26.230 1.00 0.00 C +ATOM 2346 O PRO A 293 -6.055 6.007 -28.537 1.00 0.00 O +ATOM 2347 CG PRO A 293 -8.170 7.526 -26.522 1.00 0.00 C +ATOM 2348 CD PRO A 293 -6.927 8.148 -25.952 1.00 0.00 C +ATOM 2349 N GLY A 294 -5.857 4.060 -27.867 1.00 0.00 N +ATOM 2350 CA GLY A 294 -5.405 3.457 -29.111 1.00 0.00 C +ATOM 2351 C GLY A 294 -3.901 3.260 -29.166 1.00 0.00 C +ATOM 2352 O GLY A 294 -3.393 2.565 -30.049 1.00 0.00 O +ATOM 2353 N TYR A 295 -3.231 3.957 -28.271 1.00 0.00 N +ATOM 2354 CA TYR A 295 -1.815 3.624 -28.166 1.00 0.00 C +ATOM 2355 C TYR A 295 -1.625 2.199 -27.659 1.00 0.00 C +ATOM 2356 CB TYR A 295 -1.098 4.608 -27.237 1.00 0.00 C +ATOM 2357 O TYR A 295 -1.803 1.928 -26.469 1.00 0.00 O +ATOM 2358 CG TYR A 295 0.404 4.463 -27.241 1.00 0.00 C +ATOM 2359 CD1 TYR A 295 1.046 3.624 -26.333 1.00 0.00 C +ATOM 2360 CD2 TYR A 295 1.185 5.166 -28.152 1.00 0.00 C +ATOM 2361 CE1 TYR A 295 2.430 3.489 -26.332 1.00 0.00 C +ATOM 2362 CE2 TYR A 295 2.571 5.038 -28.161 1.00 0.00 C +ATOM 2363 OH TYR A 295 4.554 4.069 -27.253 1.00 0.00 O +ATOM 2364 CZ TYR A 295 3.183 4.198 -27.249 1.00 0.00 C +ATOM 2365 N ALA A 296 -1.349 1.278 -28.488 1.00 0.00 N +ATOM 2366 CA ALA A 296 -1.062 -0.109 -28.132 1.00 0.00 C +ATOM 2367 C ALA A 296 0.293 -0.228 -27.439 1.00 0.00 C +ATOM 2368 CB ALA A 296 -1.101 -0.996 -29.374 1.00 0.00 C +ATOM 2369 O ALA A 296 1.335 -0.231 -28.097 1.00 0.00 O +ATOM 2370 N PHE A 297 0.222 -0.242 -26.157 1.00 0.00 N +ATOM 2371 CA PHE A 297 1.442 -0.598 -25.442 1.00 0.00 C +ATOM 2372 C PHE A 297 1.892 -2.007 -25.809 1.00 0.00 C +ATOM 2373 CB PHE A 297 1.230 -0.493 -23.928 1.00 0.00 C +ATOM 2374 O PHE A 297 1.066 -2.908 -25.966 1.00 0.00 O +ATOM 2375 CG PHE A 297 1.112 0.922 -23.429 1.00 0.00 C +ATOM 2376 CD1 PHE A 297 2.247 1.694 -23.211 1.00 0.00 C +ATOM 2377 CD2 PHE A 297 -0.135 1.481 -23.178 1.00 0.00 C +ATOM 2378 CE1 PHE A 297 2.141 3.003 -22.748 1.00 0.00 C +ATOM 2379 CE2 PHE A 297 -0.249 2.789 -22.716 1.00 0.00 C +ATOM 2380 CZ PHE A 297 0.890 3.548 -22.501 1.00 0.00 C +ATOM 2381 N HIS A 298 3.214 -2.170 -25.950 1.00 0.00 N +ATOM 2382 CA HIS A 298 3.762 -3.522 -25.938 1.00 0.00 C +ATOM 2383 C HIS A 298 3.280 -4.300 -24.719 1.00 0.00 C +ATOM 2384 CB HIS A 298 5.291 -3.480 -25.964 1.00 0.00 C +ATOM 2385 O HIS A 298 3.276 -3.775 -23.603 1.00 0.00 O +ATOM 2386 CG HIS A 298 5.924 -4.816 -26.193 1.00 0.00 C +ATOM 2387 CD2 HIS A 298 6.292 -5.441 -27.335 1.00 0.00 C +ATOM 2388 ND1 HIS A 298 6.244 -5.673 -25.163 1.00 0.00 N +ATOM 2389 CE1 HIS A 298 6.785 -6.771 -25.664 1.00 0.00 C +ATOM 2390 NE2 HIS A 298 6.825 -6.656 -26.980 1.00 0.00 N +ATOM 2391 N PRO A 299 2.836 -5.526 -24.730 1.00 0.00 N +ATOM 2392 CA PRO A 299 2.226 -6.274 -23.629 1.00 0.00 C +ATOM 2393 C PRO A 299 3.111 -6.321 -22.385 1.00 0.00 C +ATOM 2394 CB PRO A 299 2.036 -7.675 -24.217 1.00 0.00 C +ATOM 2395 O PRO A 299 2.612 -6.209 -21.263 1.00 0.00 O +ATOM 2396 CG PRO A 299 1.808 -7.448 -25.677 1.00 0.00 C +ATOM 2397 CD PRO A 299 2.688 -6.317 -26.127 1.00 0.00 C +ATOM 2398 N LEU A 300 4.407 -6.319 -22.607 1.00 0.00 N +ATOM 2399 CA LEU A 300 5.362 -6.301 -21.505 1.00 0.00 C +ATOM 2400 C LEU A 300 5.342 -4.954 -20.790 1.00 0.00 C +ATOM 2401 CB LEU A 300 6.774 -6.600 -22.015 1.00 0.00 C +ATOM 2402 O LEU A 300 5.325 -4.900 -19.558 1.00 0.00 O +ATOM 2403 CG LEU A 300 7.879 -6.653 -20.958 1.00 0.00 C +ATOM 2404 CD1 LEU A 300 7.621 -7.791 -19.978 1.00 0.00 C +ATOM 2405 CD2 LEU A 300 9.245 -6.809 -21.620 1.00 0.00 C +ATOM 2406 N ALA A 301 5.283 -3.891 -21.484 1.00 0.00 N +ATOM 2407 CA ALA A 301 5.209 -2.541 -20.932 1.00 0.00 C +ATOM 2408 C ALA A 301 3.906 -2.332 -20.166 1.00 0.00 C +ATOM 2409 CB ALA A 301 5.342 -1.504 -22.044 1.00 0.00 C +ATOM 2410 O ALA A 301 3.894 -1.695 -19.110 1.00 0.00 O +ATOM 2411 N ALA A 302 2.843 -2.981 -20.577 1.00 0.00 N +ATOM 2412 CA ALA A 302 1.531 -2.896 -19.940 1.00 0.00 C +ATOM 2413 C ALA A 302 1.483 -3.739 -18.668 1.00 0.00 C +ATOM 2414 CB ALA A 302 0.439 -3.339 -20.910 1.00 0.00 C +ATOM 2415 O ALA A 302 0.835 -3.361 -17.690 1.00 0.00 O +ATOM 2416 N ALA A 303 2.253 -4.819 -18.610 1.00 0.87 N +ATOM 2417 CA ALA A 303 2.266 -5.731 -17.469 1.00 0.87 C +ATOM 2418 C ALA A 303 3.212 -5.234 -16.380 1.00 0.87 C +ATOM 2419 CB ALA A 303 2.663 -7.136 -17.914 1.00 0.87 C +ATOM 2420 O ALA A 303 2.939 -5.397 -15.189 1.00 0.87 O +ATOM 2421 N MET A 304 4.332 -4.586 -16.729 1.00 0.00 N +ATOM 2422 CA MET A 304 5.421 -4.211 -15.832 1.00 0.00 C +ATOM 2423 C MET A 304 4.915 -3.318 -14.704 1.00 0.00 C +ATOM 2424 CB MET A 304 6.532 -3.498 -16.605 1.00 0.00 C +ATOM 2425 O MET A 304 5.237 -3.543 -13.536 1.00 0.00 O +ATOM 2426 CG MET A 304 7.449 -4.440 -17.369 1.00 0.00 C +ATOM 2427 SD MET A 304 8.326 -5.615 -16.266 1.00 0.00 S +ATOM 2428 CE MET A 304 9.479 -4.482 -15.442 1.00 0.00 C +ATOM 2429 N PRO A 305 4.024 -2.377 -14.907 1.00 0.00 N +ATOM 2430 CA PRO A 305 3.509 -1.527 -13.832 1.00 0.00 C +ATOM 2431 C PRO A 305 2.722 -2.312 -12.784 1.00 0.00 C +ATOM 2432 CB PRO A 305 2.601 -0.538 -14.568 1.00 0.00 C +ATOM 2433 O PRO A 305 2.855 -2.053 -11.585 1.00 0.00 O +ATOM 2434 CG PRO A 305 3.187 -0.430 -15.939 1.00 0.00 C +ATOM 2435 CD PRO A 305 3.673 -1.788 -16.358 1.00 0.00 C +ATOM 2436 N ALA A 306 1.968 -3.311 -13.191 1.00 0.00 N +ATOM 2437 CA ALA A 306 1.240 -4.176 -12.265 1.00 0.00 C +ATOM 2438 C ALA A 306 2.202 -4.994 -11.408 1.00 0.00 C +ATOM 2439 CB ALA A 306 0.297 -5.101 -13.031 1.00 0.00 C +ATOM 2440 O ALA A 306 2.006 -5.126 -10.198 1.00 0.00 O +ATOM 2441 N TYR A 307 3.339 -5.371 -11.983 1.00 0.00 N +ATOM 2442 CA TYR A 307 4.372 -6.105 -11.261 1.00 0.00 C +ATOM 2443 C TYR A 307 5.095 -5.200 -10.271 1.00 0.00 C +ATOM 2444 CB TYR A 307 5.379 -6.717 -12.239 1.00 0.00 C +ATOM 2445 O TYR A 307 5.366 -5.601 -9.137 1.00 0.00 O +ATOM 2446 CG TYR A 307 4.791 -7.790 -13.124 1.00 0.00 C +ATOM 2447 CD1 TYR A 307 4.033 -8.827 -12.584 1.00 0.00 C +ATOM 2448 CD2 TYR A 307 4.993 -7.771 -14.499 1.00 0.00 C +ATOM 2449 CE1 TYR A 307 3.491 -9.819 -13.394 1.00 0.00 C +ATOM 2450 CE2 TYR A 307 4.456 -8.757 -15.319 1.00 0.00 C +ATOM 2451 OH TYR A 307 3.172 -10.755 -15.566 1.00 0.00 O +ATOM 2452 CZ TYR A 307 3.707 -9.775 -14.759 1.00 0.00 C +ATOM 2453 N PHE A 308 5.336 -3.946 -10.643 1.00 0.00 N +ATOM 2454 CA PHE A 308 5.936 -2.959 -9.752 1.00 0.00 C +ATOM 2455 C PHE A 308 4.990 -2.619 -8.606 1.00 0.00 C +ATOM 2456 CB PHE A 308 6.302 -1.688 -10.525 1.00 0.00 C +ATOM 2457 O PHE A 308 5.391 -2.629 -7.441 1.00 0.00 O +ATOM 2458 CG PHE A 308 7.570 -1.809 -11.327 1.00 0.00 C +ATOM 2459 CD1 PHE A 308 8.783 -2.066 -10.700 1.00 0.00 C +ATOM 2460 CD2 PHE A 308 7.549 -1.666 -12.708 1.00 0.00 C +ATOM 2461 CE1 PHE A 308 9.959 -2.178 -11.439 1.00 0.00 C +ATOM 2462 CE2 PHE A 308 8.719 -1.778 -13.453 1.00 0.00 C +ATOM 2463 CZ PHE A 308 9.923 -2.033 -12.817 1.00 0.00 C +ATOM 2464 N ALA A 309 3.714 -2.449 -8.863 1.00 0.00 N +ATOM 2465 CA ALA A 309 2.710 -2.169 -7.840 1.00 0.00 C +ATOM 2466 C ALA A 309 2.604 -3.321 -6.846 1.00 0.00 C +ATOM 2467 CB ALA A 309 1.353 -1.900 -8.486 1.00 0.00 C +ATOM 2468 O ALA A 309 2.639 -3.108 -5.632 1.00 0.00 O +ATOM 2469 N LYS A 310 2.721 -4.530 -7.297 1.00 0.00 N +ATOM 2470 CA LYS A 310 2.671 -5.716 -6.446 1.00 0.00 C +ATOM 2471 C LYS A 310 3.936 -5.841 -5.603 1.00 0.00 C +ATOM 2472 CB LYS A 310 2.477 -6.975 -7.292 1.00 0.00 C +ATOM 2473 O LYS A 310 3.893 -6.349 -4.480 1.00 0.00 O +ATOM 2474 CG LYS A 310 1.080 -7.119 -7.878 1.00 0.00 C +ATOM 2475 CD LYS A 310 0.961 -8.372 -8.736 1.00 0.00 C +ATOM 2476 CE LYS A 310 -0.452 -8.547 -9.277 1.00 0.00 C +ATOM 2477 NZ LYS A 310 -0.599 -9.822 -10.040 1.00 0.00 N +ATOM 2478 N SER A 311 5.095 -5.358 -6.061 1.00 1.30 N +ATOM 2479 CA SER A 311 6.335 -5.357 -5.291 1.00 1.30 C +ATOM 2480 C SER A 311 6.231 -4.439 -4.077 1.00 1.30 C +ATOM 2481 CB SER A 311 7.511 -4.926 -6.168 1.00 1.30 C +ATOM 2482 O SER A 311 6.964 -4.608 -3.100 1.00 1.30 O +ATOM 2483 OG SER A 311 7.635 -5.774 -7.296 1.00 1.30 O +ATOM 2484 N ALA A 312 5.260 -3.546 -4.060 1.00 0.00 N +ATOM 2485 CA ALA A 312 4.994 -2.675 -2.919 1.00 0.00 C +ATOM 2486 C ALA A 312 4.632 -3.489 -1.680 1.00 0.00 C +ATOM 2487 CB ALA A 312 3.874 -1.691 -3.251 1.00 0.00 C +ATOM 2488 O ALA A 312 5.054 -3.160 -0.569 1.00 0.00 O +ATOM 2489 N THR A 313 3.980 -4.627 -1.828 1.00 0.00 N +ATOM 2490 CA THR A 313 3.516 -5.485 -0.743 1.00 0.00 C +ATOM 2491 C THR A 313 4.697 -6.106 -0.003 1.00 0.00 C +ATOM 2492 CB THR A 313 2.593 -6.600 -1.269 1.00 0.00 C +ATOM 2493 O THR A 313 4.577 -6.478 1.167 1.00 0.00 O +ATOM 2494 CG2 THR A 313 1.411 -6.019 -2.036 1.00 0.00 C +ATOM 2495 OG1 THR A 313 3.339 -7.459 -2.141 1.00 0.00 O +ATOM 2496 N ILE A 314 5.908 -6.149 -0.632 1.00 0.00 N +ATOM 2497 CA ILE A 314 7.150 -6.610 -0.021 1.00 0.00 C +ATOM 2498 C ILE A 314 7.828 -5.452 0.706 1.00 0.00 C +ATOM 2499 CB ILE A 314 8.106 -7.216 -1.073 1.00 0.00 C +ATOM 2500 O ILE A 314 8.317 -5.615 1.827 1.00 0.00 O +ATOM 2501 CG1 ILE A 314 7.429 -8.385 -1.799 1.00 0.00 C +ATOM 2502 CG2 ILE A 314 9.416 -7.662 -0.418 1.00 0.00 C +ATOM 2503 CD1 ILE A 314 8.175 -8.859 -3.038 1.00 0.00 C +ATOM 2504 N TYR A 315 7.836 -4.266 0.138 1.00 0.00 N +ATOM 2505 CA TYR A 315 8.609 -3.127 0.621 1.00 0.00 C +ATOM 2506 C TYR A 315 7.941 -2.490 1.834 1.00 0.00 C +ATOM 2507 CB TYR A 315 8.780 -2.084 -0.488 1.00 0.00 C +ATOM 2508 O TYR A 315 8.621 -2.020 2.749 1.00 0.00 O +ATOM 2509 CG TYR A 315 9.644 -2.553 -1.634 1.00 0.00 C +ATOM 2510 CD1 TYR A 315 10.972 -2.918 -1.426 1.00 0.00 C +ATOM 2511 CD2 TYR A 315 9.135 -2.631 -2.925 1.00 0.00 C +ATOM 2512 CE1 TYR A 315 11.773 -3.349 -2.479 1.00 0.00 C +ATOM 2513 CE2 TYR A 315 9.926 -3.061 -3.986 1.00 0.00 C +ATOM 2514 OH TYR A 315 12.029 -3.843 -4.799 1.00 0.00 O +ATOM 2515 CZ TYR A 315 11.241 -3.417 -3.753 1.00 0.00 C +ATOM 2516 N ASN A 316 6.638 -2.474 1.841 1.00 0.00 N +ATOM 2517 CA ASN A 316 5.905 -1.814 2.917 1.00 0.00 C +ATOM 2518 C ASN A 316 6.285 -2.378 4.283 1.00 0.00 C +ATOM 2519 CB ASN A 316 4.397 -1.938 2.692 1.00 0.00 C +ATOM 2520 O ASN A 316 6.790 -1.652 5.140 1.00 0.00 O +ATOM 2521 CG ASN A 316 3.898 -1.048 1.571 1.00 0.00 C +ATOM 2522 ND2 ASN A 316 2.738 -1.383 1.019 1.00 0.00 N +ATOM 2523 OD1 ASN A 316 4.551 -0.068 1.202 1.00 0.00 O +ATOM 2524 N PRO A 317 6.214 -3.700 4.563 1.00 0.00 N +ATOM 2525 CA PRO A 317 6.606 -4.252 5.862 1.00 0.00 C +ATOM 2526 C PRO A 317 8.109 -4.154 6.115 1.00 0.00 C +ATOM 2527 CB PRO A 317 6.162 -5.714 5.773 1.00 0.00 C +ATOM 2528 O PRO A 317 8.534 -3.928 7.251 1.00 0.00 O +ATOM 2529 CG PRO A 317 6.082 -6.000 4.308 1.00 0.00 C +ATOM 2530 CD PRO A 317 5.676 -4.742 3.597 1.00 0.00 C +ATOM 2531 N ILE A 318 8.957 -4.280 5.060 1.00 0.00 N +ATOM 2532 CA ILE A 318 10.404 -4.154 5.195 1.00 0.00 C +ATOM 2533 C ILE A 318 10.758 -2.745 5.663 1.00 0.00 C +ATOM 2534 CB ILE A 318 11.126 -4.476 3.868 1.00 0.00 C +ATOM 2535 O ILE A 318 11.474 -2.574 6.653 1.00 0.00 O +ATOM 2536 CG1 ILE A 318 11.001 -5.968 3.539 1.00 0.00 C +ATOM 2537 CG2 ILE A 318 12.596 -4.051 3.936 1.00 0.00 C +ATOM 2538 CD1 ILE A 318 11.531 -6.346 2.163 1.00 0.00 C +ATOM 2539 N ILE A 319 10.229 -1.726 5.043 1.00 0.00 N +ATOM 2540 CA ILE A 319 10.450 -0.334 5.420 1.00 0.00 C +ATOM 2541 C ILE A 319 9.967 -0.104 6.851 1.00 0.00 C +ATOM 2542 CB ILE A 319 9.735 0.634 4.451 1.00 0.00 C +ATOM 2543 O ILE A 319 10.697 0.448 7.677 1.00 0.00 O +ATOM 2544 CG1 ILE A 319 10.421 0.622 3.081 1.00 0.00 C +ATOM 2545 CG2 ILE A 319 9.697 2.050 5.033 1.00 0.00 C +ATOM 2546 CD1 ILE A 319 9.618 1.300 1.980 1.00 0.00 C +ATOM 2547 N TYR A 320 8.883 -0.611 7.201 1.00 0.00 N +ATOM 2548 CA TYR A 320 8.316 -0.418 8.531 1.00 0.00 C +ATOM 2549 C TYR A 320 9.175 -1.093 9.594 1.00 0.00 C +ATOM 2550 CB TYR A 320 6.887 -0.966 8.590 1.00 0.00 C +ATOM 2551 O TYR A 320 9.496 -0.486 10.618 1.00 0.00 O +ATOM 2552 CG TYR A 320 6.227 -0.796 9.937 1.00 0.00 C +ATOM 2553 CD1 TYR A 320 6.275 -1.811 10.891 1.00 0.00 C +ATOM 2554 CD2 TYR A 320 5.554 0.377 10.259 1.00 0.00 C +ATOM 2555 CE1 TYR A 320 5.667 -1.660 12.133 1.00 0.00 C +ATOM 2556 CE2 TYR A 320 4.942 0.539 11.498 1.00 0.00 C +ATOM 2557 OH TYR A 320 4.401 -0.328 13.655 1.00 0.00 O +ATOM 2558 CZ TYR A 320 5.005 -0.483 12.427 1.00 0.00 C +ATOM 2559 N VAL A 321 9.602 -2.339 9.399 1.00 0.00 N +ATOM 2560 CA VAL A 321 10.453 -3.088 10.317 1.00 0.00 C +ATOM 2561 C VAL A 321 11.792 -2.372 10.482 1.00 0.00 C +ATOM 2562 CB VAL A 321 10.680 -4.536 9.826 1.00 0.00 C +ATOM 2563 O VAL A 321 12.284 -2.213 11.601 1.00 0.00 O +ATOM 2564 CG1 VAL A 321 11.798 -5.207 10.623 1.00 0.00 C +ATOM 2565 CG2 VAL A 321 9.387 -5.343 9.930 1.00 0.00 C +ATOM 2566 N PHE A 322 12.344 -1.820 9.380 1.00 0.00 N +ATOM 2567 CA PHE A 322 13.658 -1.190 9.434 1.00 0.00 C +ATOM 2568 C PHE A 322 13.566 0.201 10.050 1.00 0.00 C +ATOM 2569 CB PHE A 322 14.273 -1.104 8.034 1.00 0.00 C +ATOM 2570 O PHE A 322 14.461 0.620 10.787 1.00 0.00 O +ATOM 2571 CG PHE A 322 14.979 -2.361 7.603 1.00 0.00 C +ATOM 2572 CD1 PHE A 322 16.137 -2.779 8.248 1.00 0.00 C +ATOM 2573 CD2 PHE A 322 14.486 -3.124 6.553 1.00 0.00 C +ATOM 2574 CE1 PHE A 322 16.793 -3.942 7.852 1.00 0.00 C +ATOM 2575 CE2 PHE A 322 15.136 -4.287 6.151 1.00 0.00 C +ATOM 2576 CZ PHE A 322 16.290 -4.694 6.801 1.00 0.00 C +ATOM 2577 N MET A 323 12.422 0.811 9.919 1.00 0.00 N +ATOM 2578 CA MET A 323 12.291 2.201 10.347 1.00 0.00 C +ATOM 2579 C MET A 323 11.706 2.285 11.753 1.00 0.00 C +ATOM 2580 CB MET A 323 11.416 2.985 9.368 1.00 0.00 C +ATOM 2581 O MET A 323 11.935 3.262 12.468 1.00 0.00 O +ATOM 2582 CG MET A 323 12.050 3.182 8.001 1.00 0.00 C +ATOM 2583 SD MET A 323 11.086 4.326 6.938 1.00 0.00 S +ATOM 2584 CE MET A 323 11.962 5.882 7.266 1.00 0.00 C +ATOM 2585 N ASN A 324 10.948 1.326 12.208 1.00 0.00 N +ATOM 2586 CA ASN A 324 10.372 1.288 13.548 1.00 0.00 C +ATOM 2587 C ASN A 324 11.215 0.442 14.497 1.00 0.00 C +ATOM 2588 CB ASN A 324 8.936 0.762 13.500 1.00 0.00 C +ATOM 2589 O ASN A 324 11.172 -0.788 14.443 1.00 0.00 O +ATOM 2590 CG ASN A 324 8.232 0.864 14.839 1.00 0.00 C +ATOM 2591 ND2 ASN A 324 6.933 1.137 14.806 1.00 0.00 N +ATOM 2592 OD1 ASN A 324 8.850 0.699 15.894 1.00 0.00 O +ATOM 2593 N ARG A 325 11.927 1.130 15.351 1.00 0.00 N +ATOM 2594 CA ARG A 325 12.841 0.504 16.301 1.00 0.00 C +ATOM 2595 C ARG A 325 12.116 -0.525 17.162 1.00 0.00 C +ATOM 2596 CB ARG A 325 13.500 1.560 17.191 1.00 0.00 C +ATOM 2597 O ARG A 325 12.637 -1.615 17.408 1.00 0.00 O +ATOM 2598 CG ARG A 325 14.490 0.991 18.194 1.00 0.00 C +ATOM 2599 CD ARG A 325 15.153 2.087 19.016 1.00 0.00 C +ATOM 2600 NE ARG A 325 16.056 1.534 20.023 1.00 0.00 N +ATOM 2601 NH1 ARG A 325 16.518 3.565 21.022 1.00 0.00 N +ATOM 2602 NH2 ARG A 325 17.482 1.644 21.819 1.00 0.00 N +ATOM 2603 CZ ARG A 325 16.683 2.249 20.952 1.00 0.00 C +ATOM 2604 N GLN A 326 10.930 -0.251 17.652 1.00 0.00 N +ATOM 2605 CA GLN A 326 10.153 -1.164 18.485 1.00 0.00 C +ATOM 2606 C GLN A 326 9.858 -2.466 17.746 1.00 0.00 C +ATOM 2607 CB GLN A 326 8.846 -0.505 18.930 1.00 0.00 C +ATOM 2608 O GLN A 326 10.029 -3.554 18.301 1.00 0.00 O +ATOM 2609 CG GLN A 326 9.044 0.697 19.844 1.00 0.00 C +ATOM 2610 CD GLN A 326 7.734 1.344 20.253 1.00 0.00 C +ATOM 2611 NE2 GLN A 326 7.783 2.182 21.283 1.00 0.00 N +ATOM 2612 OE1 GLN A 326 6.687 1.094 19.647 1.00 0.00 O +ATOM 2613 N PHE A 327 9.493 -2.391 16.478 1.00 0.00 N +ATOM 2614 CA PHE A 327 9.227 -3.562 15.651 1.00 0.00 C +ATOM 2615 C PHE A 327 10.502 -4.367 15.428 1.00 0.00 C +ATOM 2616 CB PHE A 327 8.627 -3.146 14.305 1.00 0.00 C +ATOM 2617 O PHE A 327 10.506 -5.590 15.590 1.00 0.00 O +ATOM 2618 CG PHE A 327 7.127 -3.258 14.249 1.00 0.00 C +ATOM 2619 CD1 PHE A 327 6.518 -4.468 13.938 1.00 0.00 C +ATOM 2620 CD2 PHE A 327 6.326 -2.154 14.507 1.00 0.00 C +ATOM 2621 CE1 PHE A 327 5.130 -4.575 13.885 1.00 0.00 C +ATOM 2622 CE2 PHE A 327 4.938 -2.253 14.457 1.00 0.00 C +ATOM 2623 CZ PHE A 327 4.343 -3.464 14.144 1.00 0.00 C +ATOM 2624 N ARG A 328 11.576 -3.688 15.128 1.00 0.00 N +ATOM 2625 CA ARG A 328 12.866 -4.351 14.964 1.00 0.00 C +ATOM 2626 C ARG A 328 13.251 -5.117 16.225 1.00 0.00 C +ATOM 2627 CB ARG A 328 13.953 -3.332 14.616 1.00 0.00 C +ATOM 2628 O ARG A 328 13.610 -6.294 16.156 1.00 0.00 O +ATOM 2629 CG ARG A 328 14.180 -3.158 13.123 1.00 0.00 C +ATOM 2630 CD ARG A 328 15.322 -2.195 12.834 1.00 0.00 C +ATOM 2631 NE ARG A 328 16.129 -1.942 14.025 1.00 0.00 N +ATOM 2632 NH1 ARG A 328 15.766 0.339 14.040 1.00 0.00 N +ATOM 2633 NH2 ARG A 328 17.074 -0.629 15.655 1.00 0.00 N +ATOM 2634 CZ ARG A 328 16.321 -0.745 14.571 1.00 0.00 C +ATOM 2635 N VAL A 329 13.122 -4.513 17.400 1.00 0.00 N +ATOM 2636 CA VAL A 329 13.431 -5.143 18.680 1.00 0.00 C +ATOM 2637 C VAL A 329 12.540 -6.366 18.882 1.00 0.00 C +ATOM 2638 CB VAL A 329 13.255 -4.155 19.855 1.00 0.00 C +ATOM 2639 O VAL A 329 13.023 -7.439 19.252 1.00 0.00 O +ATOM 2640 CG1 VAL A 329 13.326 -4.889 21.192 1.00 0.00 C +ATOM 2641 CG2 VAL A 329 14.313 -3.055 19.789 1.00 0.00 C +ATOM 2642 N CYS A 330 11.253 -6.287 18.615 1.00 0.00 N +ATOM 2643 CA CYS A 330 10.307 -7.388 18.758 1.00 0.00 C +ATOM 2644 C CYS A 330 10.627 -8.513 17.783 1.00 0.00 C +ATOM 2645 CB CYS A 330 8.877 -6.898 18.534 1.00 0.00 C +ATOM 2646 O CYS A 330 10.585 -9.689 18.149 1.00 0.00 O +ATOM 2647 SG CYS A 330 8.245 -5.858 19.869 1.00 0.00 S +ATOM 2648 N ILE A 331 11.037 -8.218 16.544 1.00 0.00 N +ATOM 2649 CA ILE A 331 11.432 -9.212 15.552 1.00 0.00 C +ATOM 2650 C ILE A 331 12.720 -9.902 15.998 1.00 0.00 C +ATOM 2651 CB ILE A 331 11.622 -8.575 14.157 1.00 0.00 C +ATOM 2652 O ILE A 331 12.798 -11.133 16.016 1.00 0.00 O +ATOM 2653 CG1 ILE A 331 10.262 -8.223 13.542 1.00 0.00 C +ATOM 2654 CG2 ILE A 331 12.412 -9.511 13.239 1.00 0.00 C +ATOM 2655 CD1 ILE A 331 10.357 -7.484 12.214 1.00 0.00 C +ATOM 2656 N TYR A 332 13.719 -9.208 16.487 1.00 1.09 N +ATOM 2657 CA TYR A 332 14.943 -9.813 16.999 1.00 1.09 C +ATOM 2658 C TYR A 332 14.649 -10.712 18.193 1.00 1.09 C +ATOM 2659 CB TYR A 332 15.952 -8.731 17.396 1.00 1.09 C +ATOM 2660 O TYR A 332 15.137 -11.843 18.262 1.00 1.09 O +ATOM 2661 CG TYR A 332 16.678 -8.118 16.223 1.00 1.09 C +ATOM 2662 CD1 TYR A 332 17.371 -8.914 15.314 1.00 1.09 C +ATOM 2663 CD2 TYR A 332 16.672 -6.742 16.021 1.00 1.09 C +ATOM 2664 CE1 TYR A 332 18.043 -8.353 14.233 1.00 1.09 C +ATOM 2665 CE2 TYR A 332 17.340 -6.170 14.943 1.00 1.09 C +ATOM 2666 OH TYR A 332 18.684 -6.423 12.987 1.00 1.09 O +ATOM 2667 CZ TYR A 332 18.021 -6.983 14.055 1.00 1.09 C +ATOM 2668 N GLN A 333 13.768 -10.309 19.125 1.00 0.00 N +ATOM 2669 CA GLN A 333 13.333 -11.102 20.270 1.00 0.00 C +ATOM 2670 C GLN A 333 12.608 -12.367 19.820 1.00 0.00 C +ATOM 2671 CB GLN A 333 12.428 -10.275 21.184 1.00 0.00 C +ATOM 2672 O GLN A 333 12.722 -13.415 20.458 1.00 0.00 O +ATOM 2673 CG GLN A 333 13.175 -9.249 22.025 1.00 0.00 C +ATOM 2674 CD GLN A 333 12.246 -8.376 22.848 1.00 0.00 C +ATOM 2675 NE2 GLN A 333 12.817 -7.604 23.767 1.00 0.00 N +ATOM 2676 OE1 GLN A 333 11.026 -8.394 22.659 1.00 0.00 O +ATOM 2677 N MET A 334 11.926 -12.345 18.715 1.00 0.00 N +ATOM 2678 CA MET A 334 11.262 -13.517 18.151 1.00 0.00 C +ATOM 2679 C MET A 334 12.283 -14.549 17.685 1.00 0.00 C +ATOM 2680 CB MET A 334 10.357 -13.113 16.985 1.00 0.00 C +ATOM 2681 O MET A 334 12.051 -15.754 17.798 1.00 0.00 O +ATOM 2682 CG MET A 334 9.063 -12.444 17.418 1.00 0.00 C +ATOM 2683 SD MET A 334 8.063 -11.861 15.994 1.00 0.00 S +ATOM 2684 CE MET A 334 7.754 -13.438 15.152 1.00 0.00 C +ATOM 2685 N PHE A 335 13.454 -14.186 17.243 1.00 0.00 N +ATOM 2686 CA PHE A 335 14.513 -15.059 16.752 1.00 0.00 C +ATOM 2687 C PHE A 335 15.496 -15.397 17.867 1.00 0.00 C +ATOM 2688 CB PHE A 335 15.252 -14.404 15.581 1.00 0.00 C +ATOM 2689 O PHE A 335 16.612 -15.848 17.602 1.00 0.00 O +ATOM 2690 CG PHE A 335 14.457 -14.369 14.304 1.00 0.00 C +ATOM 2691 CD1 PHE A 335 14.126 -15.546 13.643 1.00 0.00 C +ATOM 2692 CD2 PHE A 335 14.040 -13.160 13.764 1.00 0.00 C +ATOM 2693 CE1 PHE A 335 13.390 -15.517 12.461 1.00 0.00 C +ATOM 2694 CE2 PHE A 335 13.304 -13.123 12.583 1.00 0.00 C +ATOM 2695 CZ PHE A 335 12.981 -14.303 11.933 1.00 0.00 C +ATOM 2696 N GLY A 336 15.106 -15.092 19.166 1.00 0.00 N +ATOM 2697 CA GLY A 336 15.884 -15.447 20.342 1.00 0.00 C +ATOM 2698 C GLY A 336 17.127 -14.595 20.515 1.00 0.00 C +ATOM 2699 O GLY A 336 17.973 -14.886 21.363 1.00 0.00 O +ATOM 2700 N LYS A 337 17.239 -13.601 19.664 1.00 0.00 N +ATOM 2701 CA LYS A 337 18.355 -12.680 19.857 1.00 0.00 C +ATOM 2702 C LYS A 337 18.078 -11.714 21.006 1.00 0.00 C +ATOM 2703 CB LYS A 337 18.635 -11.899 18.572 1.00 0.00 C +ATOM 2704 O LYS A 337 17.105 -10.958 20.968 1.00 0.00 O +ATOM 2705 CG LYS A 337 19.133 -12.760 17.421 1.00 0.00 C +ATOM 2706 CD LYS A 337 19.532 -11.912 16.220 1.00 0.00 C +ATOM 2707 CE LYS A 337 20.061 -12.771 15.079 1.00 0.00 C +ATOM 2708 NZ LYS A 337 20.482 -11.941 13.911 1.00 0.00 N +ATOM 2709 N LYS A 338 18.906 -11.731 22.057 1.00 0.00 N +ATOM 2710 CA LYS A 338 18.940 -10.664 23.052 1.00 0.00 C +ATOM 2711 C LYS A 338 19.317 -9.330 22.414 1.00 0.00 C +ATOM 2712 CB LYS A 338 19.925 -11.005 24.172 1.00 0.00 C +ATOM 2713 O LYS A 338 20.427 -9.171 21.903 1.00 0.00 O +ATOM 2714 CG LYS A 338 19.501 -12.190 25.028 1.00 0.00 C +ATOM 2715 CD LYS A 338 20.460 -12.410 26.191 1.00 0.00 C +ATOM 2716 CE LYS A 338 20.034 -13.591 27.053 1.00 0.00 C +ATOM 2717 NZ LYS A 338 20.946 -13.784 28.219 1.00 0.00 N +ATOM 2718 N VAL A 339 18.363 -8.562 22.278 1.00 0.00 N +ATOM 2719 CA VAL A 339 18.648 -7.150 22.047 1.00 0.00 C +ATOM 2720 C VAL A 339 19.085 -6.491 23.353 1.00 0.00 C +ATOM 2721 CB VAL A 339 17.422 -6.412 21.463 1.00 0.00 C +ATOM 2722 O VAL A 339 18.323 -6.449 24.321 1.00 0.00 O +ATOM 2723 CG1 VAL A 339 17.777 -4.968 21.113 1.00 0.00 C +ATOM 2724 CG2 VAL A 339 16.894 -7.148 20.233 1.00 0.00 C +ATOM 2725 N ASP A 340 20.380 -6.109 23.430 1.00 0.00 N +ATOM 2726 CA ASP A 340 20.833 -5.236 24.509 1.00 0.00 C +ATOM 2727 C ASP A 340 20.098 -3.898 24.478 1.00 0.00 C +ATOM 2728 CB ASP A 340 22.344 -5.009 24.416 1.00 0.00 C +ATOM 2729 O ASP A 340 20.486 -2.988 23.742 1.00 0.00 O +ATOM 2730 CG ASP A 340 23.151 -6.254 24.738 1.00 0.00 C +ATOM 2731 OD1 ASP A 340 22.696 -7.082 25.556 1.00 0.00 O +ATOM 2732 OD2 ASP A 340 24.255 -6.407 24.171 1.00 0.00 O +ATOM 2733 N ASP A 341 18.976 -3.831 25.294 1.00 0.00 N +ATOM 2734 CA ASP A 341 18.170 -2.629 25.484 1.00 0.00 C +ATOM 2735 C ASP A 341 18.974 -1.533 26.180 1.00 0.00 C +ATOM 2736 CB ASP A 341 16.910 -2.949 26.292 1.00 0.00 C +ATOM 2737 O ASP A 341 18.545 -0.378 26.231 1.00 0.00 O +ATOM 2738 CG ASP A 341 15.784 -3.504 25.438 1.00 0.00 C +ATOM 2739 OD1 ASP A 341 15.779 -3.273 24.210 1.00 0.00 O +ATOM 2740 OD2 ASP A 341 14.891 -4.176 25.999 1.00 0.00 O +ATOM 2741 N GLY A 342 20.082 -1.907 26.721 1.00 0.00 N +ATOM 2742 CA GLY A 342 20.890 -1.234 27.725 1.00 0.00 C +ATOM 2743 C GLY A 342 21.672 -0.057 27.172 1.00 0.00 C +ATOM 2744 O GLY A 342 22.243 0.728 27.933 1.00 0.00 O +ATOM 2745 N SER A 343 21.525 0.160 25.883 1.00 0.00 N +ATOM 2746 CA SER A 343 22.323 1.247 25.326 1.00 0.00 C +ATOM 2747 C SER A 343 21.509 2.532 25.219 1.00 0.00 C +ATOM 2748 CB SER A 343 22.868 0.863 23.950 1.00 0.00 C +ATOM 2749 O SER A 343 22.064 3.606 24.976 1.00 0.00 O +ATOM 2750 OG SER A 343 21.848 0.294 23.146 1.00 0.00 O +ATOM 2751 N GLU A 344 20.176 2.533 25.894 1.00 0.00 N +ATOM 2752 CA GLU A 344 19.615 3.848 25.601 1.00 0.00 C +ATOM 2753 C GLU A 344 18.468 4.183 26.550 1.00 0.00 C +ATOM 2754 CB GLU A 344 19.134 3.917 24.149 1.00 0.00 C +ATOM 2755 O GLU A 344 18.116 5.353 26.718 1.00 0.00 O +ATOM 2756 CG GLU A 344 20.174 4.463 23.182 1.00 0.00 C +ATOM 2757 CD GLU A 344 19.619 4.728 21.791 1.00 0.00 C +ATOM 2758 OE1 GLU A 344 18.512 4.235 21.475 1.00 0.00 O +ATOM 2759 OE2 GLU A 344 20.297 5.432 21.010 1.00 0.00 O +ATOM 2760 N VAL A 345 18.001 3.153 27.395 1.00 0.00 N +ATOM 2761 CA VAL A 345 16.842 3.482 28.218 1.00 0.00 C +ATOM 2762 C VAL A 345 17.303 3.981 29.585 1.00 0.00 C +ATOM 2763 CB VAL A 345 15.900 2.269 28.383 1.00 0.00 C +ATOM 2764 O VAL A 345 16.519 4.568 30.335 1.00 0.00 O +ATOM 2765 CG1 VAL A 345 14.696 2.633 29.249 1.00 0.00 C +ATOM 2766 CG2 VAL A 345 15.444 1.757 27.017 1.00 0.00 C +ATOM 2767 N SER A 346 18.630 3.972 29.747 1.00 0.00 N +ATOM 2768 CA SER A 346 19.066 4.271 31.107 1.00 0.00 C +ATOM 2769 C SER A 346 19.331 5.762 31.287 1.00 0.00 C +ATOM 2770 CB SER A 346 20.325 3.476 31.454 1.00 0.00 C +ATOM 2771 O SER A 346 19.681 6.208 32.382 1.00 0.00 O +ATOM 2772 OG SER A 346 20.053 2.085 31.473 1.00 0.00 O +ATOM 2773 N SER A 347 18.920 6.611 30.227 1.00 0.00 N +ATOM 2774 CA SER A 347 19.338 7.996 30.421 1.00 0.00 C +ATOM 2775 C SER A 347 18.136 8.918 30.590 1.00 0.00 C +ATOM 2776 CB SER A 347 20.191 8.468 29.242 1.00 0.00 C +ATOM 2777 O SER A 347 18.277 10.052 31.052 1.00 0.00 O +ATOM 2778 OG SER A 347 19.708 7.928 28.024 1.00 0.00 O +ATOM 2779 N THR A 348 16.831 8.406 30.405 1.00 0.28 N +ATOM 2780 CA THR A 348 15.779 9.412 30.310 1.00 0.28 C +ATOM 2781 C THR A 348 14.868 9.359 31.534 1.00 0.28 C +ATOM 2782 CB THR A 348 14.939 9.224 29.033 1.00 0.28 C +ATOM 2783 O THR A 348 14.156 10.322 31.826 1.00 0.28 O +ATOM 2784 CG2 THR A 348 14.603 10.567 28.394 1.00 0.28 C +ATOM 2785 OG1 THR A 348 15.678 8.433 28.095 1.00 0.28 O +ATOM 2786 N SER A 349 15.018 8.365 32.424 1.00 0.00 N +ATOM 2787 CA SER A 349 13.987 8.238 33.448 1.00 0.00 C +ATOM 2788 C SER A 349 14.457 8.812 34.780 1.00 0.00 C +ATOM 2789 CB SER A 349 13.587 6.772 33.628 1.00 0.00 C +ATOM 2790 O SER A 349 13.702 8.832 35.755 1.00 0.00 O +ATOM 2791 OG SER A 349 12.381 6.667 34.365 1.00 0.00 O +ATOM 2792 N LYS A 350 15.520 9.508 34.805 1.00 0.38 N +ATOM 2793 CA LYS A 350 15.903 9.944 36.145 1.00 0.38 C +ATOM 2794 C LYS A 350 15.900 11.467 36.249 1.00 0.38 C +ATOM 2795 CB LYS A 350 17.282 9.396 36.514 1.00 0.38 C +ATOM 2796 O LYS A 350 16.211 12.022 37.305 1.00 0.38 O +ATOM 2797 CG LYS A 350 17.251 8.001 37.122 1.00 0.38 C +ATOM 2798 CD LYS A 350 18.626 7.579 37.623 1.00 0.38 C +ATOM 2799 CE LYS A 350 18.576 6.230 38.327 1.00 0.38 C +ATOM 2800 NZ LYS A 350 19.919 5.820 38.835 1.00 0.38 N +ATOM 2801 N THR A 351 15.491 12.181 35.171 1.00 0.00 N +ATOM 2802 CA THR A 351 15.772 13.608 35.288 1.00 0.00 C +ATOM 2803 C THR A 351 14.480 14.400 35.467 1.00 0.00 C +ATOM 2804 CB THR A 351 16.532 14.131 34.056 1.00 0.00 C +ATOM 2805 O THR A 351 14.513 15.576 35.836 1.00 0.00 O +ATOM 2806 CG2 THR A 351 17.311 15.400 34.387 1.00 0.00 C +ATOM 2807 OG1 THR A 351 17.448 13.125 33.604 1.00 0.00 O +ATOM 2808 N GLU A 352 13.189 13.796 35.752 1.00 0.00 N +ATOM 2809 CA GLU A 352 12.202 14.871 35.761 1.00 0.00 C +ATOM 2810 C GLU A 352 11.193 14.684 36.891 1.00 0.00 C +ATOM 2811 CB GLU A 352 11.476 14.946 34.415 1.00 0.00 C +ATOM 2812 O GLU A 352 10.145 15.332 36.908 1.00 0.00 O +ATOM 2813 CG GLU A 352 11.990 16.048 33.500 1.00 0.00 C +ATOM 2814 CD GLU A 352 11.221 16.149 32.192 1.00 0.00 C +ATOM 2815 OE1 GLU A 352 10.512 15.183 31.829 1.00 0.00 O +ATOM 2816 OE2 GLU A 352 11.330 17.202 31.525 1.00 0.00 O +ATOM 2817 N VAL A 353 11.541 13.978 37.965 1.00 0.00 N +ATOM 2818 CA VAL A 353 10.511 13.980 38.999 1.00 0.00 C +ATOM 2819 C VAL A 353 11.040 14.670 40.254 1.00 0.00 C +ATOM 2820 CB VAL A 353 10.041 12.547 39.336 1.00 0.00 C +ATOM 2821 O VAL A 353 10.475 14.517 41.339 1.00 0.00 O +ATOM 2822 CG1 VAL A 353 8.937 12.575 40.391 1.00 0.00 C +ATOM 2823 CG2 VAL A 353 9.561 11.833 38.074 1.00 0.00 C +ATOM 2824 N SER A 354 12.075 15.498 40.117 1.00 0.00 N +ATOM 2825 CA SER A 354 12.505 15.981 41.425 1.00 0.00 C +ATOM 2826 C SER A 354 12.382 17.497 41.523 1.00 0.00 C +ATOM 2827 CB SER A 354 13.948 15.559 41.705 1.00 0.00 C +ATOM 2828 O SER A 354 12.953 18.115 42.424 1.00 0.00 O +ATOM 2829 OG SER A 354 14.009 14.684 42.819 1.00 0.00 O +ATOM 2830 N SER A 355 11.411 18.218 40.815 1.00 0.00 N +ATOM 2831 CA SER A 355 11.503 19.605 41.259 1.00 0.00 C +ATOM 2832 C SER A 355 10.215 20.367 40.966 1.00 0.00 C +ATOM 2833 CB SER A 355 12.684 20.306 40.585 1.00 0.00 C +ATOM 2834 O SER A 355 10.254 21.499 40.480 1.00 0.00 O +ATOM 2835 OG SER A 355 12.462 20.438 39.192 1.00 0.00 O +ATOM 2836 N VAL A 356 9.084 19.773 40.893 1.00 0.00 N +ATOM 2837 CA VAL A 356 7.936 20.662 41.035 1.00 0.00 C +ATOM 2838 C VAL A 356 7.362 20.545 42.446 1.00 0.00 C +ATOM 2839 CB VAL A 356 6.843 20.352 39.988 1.00 0.00 C +ATOM 2840 O VAL A 356 6.361 19.857 42.660 1.00 0.00 O +ATOM 2841 CG1 VAL A 356 5.709 21.371 40.072 1.00 0.00 C +ATOM 2842 CG2 VAL A 356 7.443 20.329 38.583 1.00 0.00 C +ATOM 2843 N ALA A 357 8.051 21.064 43.471 1.00 0.06 N +ATOM 2844 CA ALA A 357 7.434 21.457 44.735 1.00 0.06 C +ATOM 2845 C ALA A 357 6.343 22.501 44.511 1.00 0.06 C +ATOM 2846 CB ALA A 357 8.490 21.993 45.699 1.00 0.06 C +ATOM 2847 O ALA A 357 6.562 23.497 43.818 1.00 0.06 O +ATOM 2848 N PRO A 358 5.018 22.107 44.859 1.00 0.00 N +ATOM 2849 CA PRO A 358 4.042 23.197 44.941 1.00 0.00 C +ATOM 2850 C PRO A 358 4.548 24.382 45.760 1.00 0.00 C +ATOM 2851 CB PRO A 358 2.837 22.540 45.620 1.00 0.00 C +ATOM 2852 O PRO A 358 5.032 24.202 46.880 1.00 0.00 O +ATOM 2853 CG PRO A 358 3.419 21.449 46.459 1.00 0.00 C +ATOM 2854 CD PRO A 358 4.701 20.992 45.826 1.00 0.00 C +ATOM 2855 N ALA A 359 4.569 25.588 45.105 1.00 0.18 N +ATOM 2856 CA ALA A 359 4.527 26.766 45.968 1.00 0.18 C +ATOM 2857 C ALA A 359 3.242 26.798 46.790 1.00 0.18 C +ATOM 2858 CB ALA A 359 4.656 28.040 45.136 1.00 0.18 C +ATOM 2859 O ALA A 359 2.191 26.350 46.327 1.00 0.18 O +TER 2860 ALA A 359 +END diff --git a/examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/C_phantasticus_LWS1_esmfold_shap_mapped.pdb b/examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/C_phantasticus_LWS1_esmfold_shap_mapped.pdb new file mode 100644 index 00000000..17ccdea1 --- /dev/null +++ b/examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/C_phantasticus_LWS1_esmfold_shap_mapped.pdb @@ -0,0 +1,2862 @@ +PARENT N/A +ATOM 1 N MET A 1 -54.616 10.735 -26.431 1.00 0.00 N +ATOM 2 CA MET A 1 -53.813 9.544 -26.689 1.00 0.00 C +ATOM 3 C MET A 1 -52.324 9.866 -26.624 1.00 0.00 C +ATOM 4 CB MET A 1 -54.160 8.946 -28.054 1.00 0.00 C +ATOM 5 O MET A 1 -51.731 10.284 -27.620 1.00 0.00 O +ATOM 6 CG MET A 1 -55.543 8.319 -28.115 1.00 0.00 C +ATOM 7 SD MET A 1 -55.869 7.491 -29.720 1.00 0.00 S +ATOM 8 CE MET A 1 -57.119 8.611 -30.410 1.00 0.00 C +ATOM 9 N ALA A 2 -51.784 10.308 -25.501 1.00 0.00 N +ATOM 10 CA ALA A 2 -50.354 10.321 -25.202 1.00 0.00 C +ATOM 11 C ALA A 2 -49.838 8.911 -24.925 1.00 0.00 C +ATOM 12 CB ALA A 2 -50.067 11.233 -24.011 1.00 0.00 C +ATOM 13 O ALA A 2 -49.922 8.424 -23.795 1.00 0.00 O +ATOM 14 N GLU A 3 -49.811 8.002 -25.944 1.00 0.00 N +ATOM 15 CA GLU A 3 -48.977 6.806 -25.882 1.00 0.00 C +ATOM 16 C GLU A 3 -47.696 7.066 -25.094 1.00 0.00 C +ATOM 17 CB GLU A 3 -48.637 6.314 -27.291 1.00 0.00 C +ATOM 18 O GLU A 3 -46.970 8.021 -25.378 1.00 0.00 O +ATOM 19 CG GLU A 3 -49.663 5.351 -27.871 1.00 0.00 C +ATOM 20 CD GLU A 3 -49.370 4.956 -29.309 1.00 0.00 C +ATOM 21 OE1 GLU A 3 -48.648 5.703 -30.009 1.00 0.00 O +ATOM 22 OE2 GLU A 3 -49.867 3.892 -29.741 1.00 0.00 O +ATOM 23 N ASP A 4 -47.468 6.476 -23.933 1.00 0.00 N +ATOM 24 CA ASP A 4 -46.304 6.435 -23.054 1.00 0.00 C +ATOM 25 C ASP A 4 -45.018 6.239 -23.854 1.00 0.00 C +ATOM 26 CB ASP A 4 -46.453 5.320 -22.017 1.00 0.00 C +ATOM 27 O ASP A 4 -44.572 5.108 -24.055 1.00 0.00 O +ATOM 28 CG ASP A 4 -45.561 5.515 -20.804 1.00 0.00 C +ATOM 29 OD1 ASP A 4 -44.850 6.541 -20.728 1.00 0.00 O +ATOM 30 OD2 ASP A 4 -45.567 4.635 -19.916 1.00 0.00 O +ATOM 31 N TRP A 5 -44.668 7.220 -24.651 1.00 0.00 N +ATOM 32 CA TRP A 5 -43.421 7.260 -25.409 1.00 0.00 C +ATOM 33 C TRP A 5 -42.269 6.687 -24.591 1.00 0.00 C +ATOM 34 CB TRP A 5 -43.097 8.694 -25.837 1.00 0.00 C +ATOM 35 O TRP A 5 -41.333 6.106 -25.147 1.00 0.00 O +ATOM 36 CG TRP A 5 -43.785 9.124 -27.097 1.00 0.00 C +ATOM 37 CD1 TRP A 5 -44.993 9.757 -27.203 1.00 0.00 C +ATOM 38 CD2 TRP A 5 -43.307 8.947 -28.434 1.00 0.00 C +ATOM 39 CE2 TRP A 5 -44.276 9.498 -29.301 1.00 0.00 C +ATOM 40 CE3 TRP A 5 -42.151 8.377 -28.984 1.00 0.00 C +ATOM 41 NE1 TRP A 5 -45.294 9.985 -28.526 1.00 0.00 N +ATOM 42 CH2 TRP A 5 -42.984 8.931 -31.201 1.00 0.00 C +ATOM 43 CZ2 TRP A 5 -44.124 9.495 -30.690 1.00 0.00 C +ATOM 44 CZ3 TRP A 5 -42.001 8.375 -30.366 1.00 0.00 C +ATOM 45 N GLY A 6 -42.282 6.803 -23.260 1.00 0.00 N +ATOM 46 CA GLY A 6 -41.268 6.280 -22.359 1.00 0.00 C +ATOM 47 C GLY A 6 -41.126 4.771 -22.431 1.00 0.00 C +ATOM 48 O GLY A 6 -40.011 4.249 -22.491 1.00 0.00 O +ATOM 49 N SER A 7 -42.223 4.070 -22.494 1.00 0.00 N +ATOM 50 CA SER A 7 -42.217 2.611 -22.515 1.00 0.00 C +ATOM 51 C SER A 7 -41.644 2.079 -23.825 1.00 0.00 C +ATOM 52 CB SER A 7 -43.631 2.066 -22.309 1.00 0.00 C +ATOM 53 O SER A 7 -40.880 1.112 -23.826 1.00 0.00 O +ATOM 54 OG SER A 7 -44.466 2.407 -23.403 1.00 0.00 O +ATOM 55 N VAL A 8 -41.947 2.820 -24.955 1.00 0.00 N +ATOM 56 CA VAL A 8 -41.454 2.409 -26.266 1.00 0.00 C +ATOM 57 C VAL A 8 -39.938 2.579 -26.325 1.00 0.00 C +ATOM 58 CB VAL A 8 -42.125 3.213 -27.402 1.00 0.00 C +ATOM 59 O VAL A 8 -39.224 1.682 -26.778 1.00 0.00 O +ATOM 60 CG1 VAL A 8 -41.508 2.856 -28.753 1.00 0.00 C +ATOM 61 CG2 VAL A 8 -43.632 2.960 -27.416 1.00 0.00 C +ATOM 62 N VAL A 9 -39.446 3.728 -25.779 1.00 0.00 N +ATOM 63 CA VAL A 9 -38.007 3.972 -25.796 1.00 0.00 C +ATOM 64 C VAL A 9 -37.303 2.972 -24.882 1.00 0.00 C +ATOM 65 CB VAL A 9 -37.671 5.417 -25.364 1.00 0.00 C +ATOM 66 O VAL A 9 -36.248 2.437 -25.232 1.00 0.00 O +ATOM 67 CG1 VAL A 9 -36.164 5.591 -25.188 1.00 0.00 C +ATOM 68 CG2 VAL A 9 -38.212 6.417 -26.384 1.00 0.00 C +ATOM 69 N PHE A 10 -37.888 2.619 -23.765 1.00 0.86 N +ATOM 70 CA PHE A 10 -37.292 1.668 -22.835 1.00 0.86 C +ATOM 71 C PHE A 10 -37.298 0.261 -23.421 1.00 0.86 C +ATOM 72 CB PHE A 10 -38.038 1.682 -21.497 1.00 0.86 C +ATOM 73 O PHE A 10 -36.316 -0.474 -23.295 1.00 0.86 O +ATOM 74 CG PHE A 10 -37.148 1.467 -20.303 1.00 0.86 C +ATOM 75 CD1 PHE A 10 -36.970 0.195 -19.772 1.00 0.86 C +ATOM 76 CD2 PHE A 10 -36.489 2.537 -19.711 1.00 0.86 C +ATOM 77 CE1 PHE A 10 -36.146 -0.007 -18.667 1.00 0.86 C +ATOM 78 CE2 PHE A 10 -35.665 2.342 -18.606 1.00 0.86 C +ATOM 79 CZ PHE A 10 -35.496 1.070 -18.085 1.00 0.86 C +ATOM 80 N ALA A 11 -38.353 -0.127 -24.095 1.00 2.89 N +ATOM 81 CA ALA A 11 -38.444 -1.440 -24.729 1.00 2.89 C +ATOM 82 C ALA A 11 -37.462 -1.557 -25.892 1.00 2.89 C +ATOM 83 CB ALA A 11 -39.869 -1.699 -25.213 1.00 2.89 C +ATOM 84 O ALA A 11 -36.812 -2.591 -26.062 1.00 2.89 O +ATOM 85 N ALA A 12 -37.316 -0.477 -26.752 1.00 1.11 N +ATOM 86 CA ALA A 12 -36.344 -0.457 -27.841 1.00 1.11 C +ATOM 87 C ALA A 12 -34.918 -0.556 -27.305 1.00 1.11 C +ATOM 88 CB ALA A 12 -36.508 0.808 -28.679 1.00 1.11 C +ATOM 89 O ALA A 12 -34.108 -1.333 -27.817 1.00 1.11 O +ATOM 90 N ARG A 13 -34.599 0.218 -26.193 1.00 6.97 N +ATOM 91 CA ARG A 13 -33.274 0.118 -25.588 1.00 6.97 C +ATOM 92 C ARG A 13 -33.023 -1.286 -25.048 1.00 6.97 C +ATOM 93 CB ARG A 13 -33.117 1.146 -24.465 1.00 6.97 C +ATOM 94 O ARG A 13 -31.973 -1.878 -25.308 1.00 6.97 O +ATOM 95 CG ARG A 13 -31.678 1.358 -24.022 1.00 6.97 C +ATOM 96 CD ARG A 13 -31.559 2.500 -23.022 1.00 6.97 C +ATOM 97 NE ARG A 13 -30.172 2.726 -22.626 1.00 6.97 N +ATOM 98 NH1 ARG A 13 -30.645 4.500 -21.223 1.00 6.97 N +ATOM 99 NH2 ARG A 13 -28.482 3.789 -21.489 1.00 6.97 N +ATOM 100 CZ ARG A 13 -29.770 3.671 -21.780 1.00 6.97 C +ATOM 101 N ARG A 14 -34.010 -1.909 -24.381 1.00 0.01 N +ATOM 102 CA ARG A 14 -33.824 -3.255 -23.849 1.00 0.01 C +ATOM 103 C ARG A 14 -33.621 -4.265 -24.974 1.00 0.01 C +ATOM 104 CB ARG A 14 -35.021 -3.664 -22.987 1.00 0.01 C +ATOM 105 O ARG A 14 -32.799 -5.176 -24.856 1.00 0.01 O +ATOM 106 CG ARG A 14 -34.669 -4.617 -21.857 1.00 0.01 C +ATOM 107 CD ARG A 14 -35.873 -4.913 -20.974 1.00 0.01 C +ATOM 108 NE ARG A 14 -35.527 -5.811 -19.875 1.00 0.01 N +ATOM 109 NH1 ARG A 14 -37.639 -5.814 -18.940 1.00 0.01 N +ATOM 110 NH2 ARG A 14 -35.954 -7.037 -17.980 1.00 0.01 N +ATOM 111 CZ ARG A 14 -36.374 -6.219 -18.934 1.00 0.01 C +ATOM 112 N ARG A 15 -34.339 -4.159 -26.114 1.00 0.00 N +ATOM 113 CA ARG A 15 -34.163 -5.065 -27.244 1.00 0.00 C +ATOM 114 C ARG A 15 -32.773 -4.918 -27.853 1.00 0.00 C +ATOM 115 CB ARG A 15 -35.232 -4.810 -28.309 1.00 0.00 C +ATOM 116 O ARG A 15 -32.113 -5.915 -28.155 1.00 0.00 O +ATOM 117 CG ARG A 15 -35.517 -6.012 -29.196 1.00 0.00 C +ATOM 118 CD ARG A 15 -36.646 -5.733 -30.178 1.00 0.00 C +ATOM 119 NE ARG A 15 -37.257 -6.967 -30.662 1.00 0.00 N +ATOM 120 NH1 ARG A 15 -38.813 -5.914 -32.007 1.00 0.00 N +ATOM 121 NH2 ARG A 15 -38.752 -8.202 -31.893 1.00 0.00 N +ATOM 122 CZ ARG A 15 -38.272 -7.025 -31.520 1.00 0.00 C +ATOM 123 N ASN A 16 -32.275 -3.677 -28.024 1.00 0.00 N +ATOM 124 CA ASN A 16 -30.927 -3.476 -28.546 1.00 0.00 C +ATOM 125 C ASN A 16 -29.869 -4.013 -27.587 1.00 0.00 C +ATOM 126 CB ASN A 16 -30.679 -1.994 -28.835 1.00 0.00 C +ATOM 127 O ASN A 16 -28.864 -4.581 -28.019 1.00 0.00 O +ATOM 128 CG ASN A 16 -31.321 -1.536 -30.130 1.00 0.00 C +ATOM 129 ND2 ASN A 16 -31.207 -0.247 -30.425 1.00 0.00 N +ATOM 130 OD1 ASN A 16 -31.915 -2.335 -30.859 1.00 0.00 O +ATOM 131 N GLU A 17 -30.119 -3.838 -26.215 1.00 0.00 N +ATOM 132 CA GLU A 17 -29.200 -4.399 -25.230 1.00 0.00 C +ATOM 133 C GLU A 17 -29.243 -5.925 -25.241 1.00 0.00 C +ATOM 134 CB GLU A 17 -29.525 -3.873 -23.830 1.00 0.00 C +ATOM 135 O GLU A 17 -28.204 -6.581 -25.149 1.00 0.00 O +ATOM 136 CG GLU A 17 -29.033 -2.456 -23.575 1.00 0.00 C +ATOM 137 CD GLU A 17 -29.511 -1.884 -22.250 1.00 0.00 C +ATOM 138 OE1 GLU A 17 -30.241 -2.586 -21.514 1.00 0.00 O +ATOM 139 OE2 GLU A 17 -29.152 -0.725 -21.946 1.00 0.00 O +ATOM 140 N GLU A 18 -30.480 -6.565 -25.386 1.00 0.00 N +ATOM 141 CA GLU A 18 -30.604 -8.017 -25.463 1.00 0.00 C +ATOM 142 C GLU A 18 -30.002 -8.555 -26.757 1.00 0.00 C +ATOM 143 CB GLU A 18 -32.072 -8.439 -25.351 1.00 0.00 C +ATOM 144 O GLU A 18 -29.342 -9.597 -26.755 1.00 0.00 O +ATOM 145 CG GLU A 18 -32.608 -8.428 -23.927 1.00 0.00 C +ATOM 146 CD GLU A 18 -34.070 -8.834 -23.833 1.00 0.00 C +ATOM 147 OE1 GLU A 18 -34.693 -9.106 -24.884 1.00 0.00 O +ATOM 148 OE2 GLU A 18 -34.597 -8.880 -22.699 1.00 0.00 O +ATOM 149 N GLU A 19 -30.241 -7.868 -27.982 1.00 0.00 N +ATOM 150 CA GLU A 19 -29.650 -8.268 -29.256 1.00 0.00 C +ATOM 151 C GLU A 19 -28.131 -8.127 -29.228 1.00 0.00 C +ATOM 152 CB GLU A 19 -30.235 -7.442 -30.404 1.00 0.00 C +ATOM 153 O GLU A 19 -27.409 -9.070 -29.559 1.00 0.00 O +ATOM 154 CG GLU A 19 -31.487 -8.047 -31.022 1.00 0.00 C +ATOM 155 CD GLU A 19 -32.135 -7.150 -32.065 1.00 0.00 C +ATOM 156 OE1 GLU A 19 -31.684 -5.994 -32.236 1.00 0.00 O +ATOM 157 OE2 GLU A 19 -33.101 -7.606 -32.716 1.00 0.00 O +ATOM 158 N THR A 20 -27.562 -6.979 -28.645 1.00 0.00 N +ATOM 159 CA THR A 20 -26.125 -6.765 -28.515 1.00 0.00 C +ATOM 160 C THR A 20 -25.509 -7.787 -27.564 1.00 0.00 C +ATOM 161 CB THR A 20 -25.815 -5.342 -28.014 1.00 0.00 C +ATOM 162 O THR A 20 -24.412 -8.291 -27.811 1.00 0.00 O +ATOM 163 CG2 THR A 20 -24.825 -4.638 -28.937 1.00 0.00 C +ATOM 164 OG1 THR A 20 -27.030 -4.583 -27.967 1.00 0.00 O +ATOM 165 N THR A 21 -26.201 -8.083 -26.447 1.00 0.00 N +ATOM 166 CA THR A 21 -25.734 -9.109 -25.521 1.00 0.00 C +ATOM 167 C THR A 21 -25.778 -10.487 -26.175 1.00 0.00 C +ATOM 168 CB THR A 21 -26.575 -9.123 -24.231 1.00 0.00 C +ATOM 169 O THR A 21 -24.864 -11.295 -25.994 1.00 0.00 O +ATOM 170 CG2 THR A 21 -25.875 -9.909 -23.127 1.00 0.00 C +ATOM 171 OG1 THR A 21 -26.779 -7.776 -23.787 1.00 0.00 O +ATOM 172 N ARG A 22 -26.842 -10.832 -26.893 1.00 1.69 N +ATOM 173 CA ARG A 22 -26.938 -12.107 -27.596 1.00 1.69 C +ATOM 174 C ARG A 22 -25.877 -12.213 -28.686 1.00 1.69 C +ATOM 175 CB ARG A 22 -28.332 -12.282 -28.203 1.00 1.69 C +ATOM 176 O ARG A 22 -25.216 -13.245 -28.818 1.00 1.69 O +ATOM 177 CG ARG A 22 -29.362 -12.836 -27.231 1.00 1.69 C +ATOM 178 CD ARG A 22 -30.722 -13.015 -27.891 1.00 1.69 C +ATOM 179 NE ARG A 22 -31.706 -13.559 -26.960 1.00 1.69 N +ATOM 180 NH1 ARG A 22 -33.317 -13.951 -28.568 1.00 1.69 N +ATOM 181 NH2 ARG A 22 -33.732 -14.468 -26.374 1.00 1.69 N +ATOM 182 CZ ARG A 22 -32.916 -13.992 -27.303 1.00 1.69 C +ATOM 183 N GLU A 23 -25.684 -11.128 -29.519 1.00 0.63 N +ATOM 184 CA GLU A 23 -24.632 -11.115 -30.530 1.00 0.63 C +ATOM 185 C GLU A 23 -23.250 -11.209 -29.890 1.00 0.63 C +ATOM 186 CB GLU A 23 -24.728 -9.852 -31.391 1.00 0.63 C +ATOM 187 O GLU A 23 -22.390 -11.955 -30.363 1.00 0.63 O +ATOM 188 CG GLU A 23 -25.603 -10.014 -32.625 1.00 0.63 C +ATOM 189 CD GLU A 23 -25.596 -8.793 -33.530 1.00 0.63 C +ATOM 190 OE1 GLU A 23 -25.191 -7.700 -33.072 1.00 0.63 O +ATOM 191 OE2 GLU A 23 -25.999 -8.929 -34.707 1.00 0.63 O +ATOM 192 N SER A 24 -23.046 -10.537 -28.749 1.00 0.03 N +ATOM 193 CA SER A 24 -21.757 -10.597 -28.067 1.00 0.03 C +ATOM 194 C SER A 24 -21.491 -11.990 -27.508 1.00 0.03 C +ATOM 195 CB SER A 24 -21.698 -9.566 -26.939 1.00 0.03 C +ATOM 196 O SER A 24 -20.371 -12.497 -27.598 1.00 0.03 O +ATOM 197 OG SER A 24 -22.708 -9.816 -25.977 1.00 0.03 O +ATOM 198 N ILE A 25 -22.496 -12.605 -26.880 1.00 0.19 N +ATOM 199 CA ILE A 25 -22.350 -13.968 -26.380 1.00 0.19 C +ATOM 200 C ILE A 25 -22.241 -14.939 -27.553 1.00 0.19 C +ATOM 201 CB ILE A 25 -23.531 -14.363 -25.464 1.00 0.19 C +ATOM 202 O ILE A 25 -21.452 -15.886 -27.512 1.00 0.19 O +ATOM 203 CG1 ILE A 25 -23.480 -13.568 -24.154 1.00 0.19 C +ATOM 204 CG2 ILE A 25 -23.522 -15.870 -25.192 1.00 0.19 C +ATOM 205 CD1 ILE A 25 -24.736 -13.697 -23.303 1.00 0.19 C +ATOM 206 N PHE A 26 -23.009 -14.777 -28.631 1.00 0.10 N +ATOM 207 CA PHE A 26 -23.041 -15.670 -29.783 1.00 0.10 C +ATOM 208 C PHE A 26 -21.737 -15.586 -30.569 1.00 0.10 C +ATOM 209 CB PHE A 26 -24.225 -15.332 -30.694 1.00 0.10 C +ATOM 210 O PHE A 26 -21.234 -16.601 -31.056 1.00 0.10 O +ATOM 211 CG PHE A 26 -25.008 -16.536 -31.144 1.00 0.10 C +ATOM 212 CD1 PHE A 26 -24.679 -17.196 -32.321 1.00 0.10 C +ATOM 213 CD2 PHE A 26 -26.073 -17.008 -30.388 1.00 0.10 C +ATOM 214 CE1 PHE A 26 -25.402 -18.311 -32.740 1.00 0.10 C +ATOM 215 CE2 PHE A 26 -26.800 -18.122 -30.800 1.00 0.10 C +ATOM 216 CZ PHE A 26 -26.463 -18.771 -31.977 1.00 0.10 C +ATOM 217 N VAL A 27 -21.151 -14.328 -30.767 1.00 0.18 N +ATOM 218 CA VAL A 27 -19.859 -14.182 -31.430 1.00 0.18 C +ATOM 219 C VAL A 27 -18.803 -15.001 -30.692 1.00 0.18 C +ATOM 220 CB VAL A 27 -19.427 -12.701 -31.509 1.00 0.18 C +ATOM 221 O VAL A 27 -17.902 -15.569 -31.314 1.00 0.18 O +ATOM 222 CG1 VAL A 27 -18.040 -12.576 -32.139 1.00 0.18 C +ATOM 223 CG2 VAL A 27 -20.451 -11.888 -32.299 1.00 0.18 C +ATOM 224 N TYR A 28 -19.050 -15.313 -29.415 1.00 0.00 N +ATOM 225 CA TYR A 28 -18.059 -16.093 -28.682 1.00 0.00 C +ATOM 226 C TYR A 28 -18.350 -17.585 -28.791 1.00 0.00 C +ATOM 227 CB TYR A 28 -18.027 -15.673 -27.209 1.00 0.00 C +ATOM 228 O TYR A 28 -17.441 -18.411 -28.684 1.00 0.00 O +ATOM 229 CG TYR A 28 -16.979 -14.633 -26.897 1.00 0.00 C +ATOM 230 CD1 TYR A 28 -15.654 -14.998 -26.667 1.00 0.00 C +ATOM 231 CD2 TYR A 28 -17.311 -13.284 -26.831 1.00 0.00 C +ATOM 232 CE1 TYR A 28 -14.685 -14.043 -26.377 1.00 0.00 C +ATOM 233 CE2 TYR A 28 -16.350 -12.321 -26.541 1.00 0.00 C +ATOM 234 OH TYR A 28 -14.087 -11.760 -26.030 1.00 0.00 O +ATOM 235 CZ TYR A 28 -15.042 -12.709 -26.317 1.00 0.00 C +ATOM 236 N THR A 29 -19.619 -18.020 -28.994 1.00 0.69 N +ATOM 237 CA THR A 29 -19.905 -19.446 -28.886 1.00 0.69 C +ATOM 238 C THR A 29 -19.938 -20.097 -30.266 1.00 0.69 C +ATOM 239 CB THR A 29 -21.243 -19.695 -28.167 1.00 0.69 C +ATOM 240 O THR A 29 -19.734 -21.307 -30.393 1.00 0.69 O +ATOM 241 CG2 THR A 29 -21.132 -19.391 -26.676 1.00 0.69 C +ATOM 242 OG1 THR A 29 -22.252 -18.854 -28.741 1.00 0.69 O +ATOM 243 N ASN A 30 -20.112 -19.250 -31.355 1.00 0.00 N +ATOM 244 CA ASN A 30 -20.483 -19.952 -32.580 1.00 0.00 C +ATOM 245 C ASN A 30 -19.466 -19.713 -33.692 1.00 0.00 C +ATOM 246 CB ASN A 30 -21.880 -19.529 -33.038 1.00 0.00 C +ATOM 247 O ASN A 30 -19.702 -20.080 -34.844 1.00 0.00 O +ATOM 248 CG ASN A 30 -22.701 -20.693 -33.557 1.00 0.00 C +ATOM 249 ND2 ASN A 30 -23.935 -20.415 -33.960 1.00 0.00 N +ATOM 250 OD1 ASN A 30 -22.231 -21.833 -33.593 1.00 0.00 O +ATOM 251 N SER A 31 -18.237 -18.993 -33.280 1.00 0.19 N +ATOM 252 CA SER A 31 -17.155 -18.897 -34.255 1.00 0.19 C +ATOM 253 C SER A 31 -16.293 -20.155 -34.250 1.00 0.19 C +ATOM 254 CB SER A 31 -16.285 -17.671 -33.973 1.00 0.19 C +ATOM 255 O SER A 31 -15.492 -20.361 -33.336 1.00 0.19 O +ATOM 256 OG SER A 31 -14.927 -17.939 -34.273 1.00 0.19 O +ATOM 257 N ASN A 32 -16.756 -21.237 -34.708 1.00 1.14 N +ATOM 258 CA ASN A 32 -15.816 -22.213 -35.248 1.00 1.14 C +ATOM 259 C ASN A 32 -14.684 -21.537 -36.015 1.00 1.14 C +ATOM 260 CB ASN A 32 -16.541 -23.217 -36.146 1.00 1.14 C +ATOM 261 O ASN A 32 -13.787 -22.209 -36.527 1.00 1.14 O +ATOM 262 CG ASN A 32 -17.326 -24.247 -35.357 1.00 1.14 C +ATOM 263 ND2 ASN A 32 -18.226 -24.951 -36.033 1.00 1.14 N +ATOM 264 OD1 ASN A 32 -17.125 -24.407 -34.151 1.00 1.14 O +ATOM 265 N ASN A 33 -14.542 -20.203 -36.164 1.00 0.65 N +ATOM 266 CA ASN A 33 -13.351 -19.384 -36.368 1.00 0.65 C +ATOM 267 C ASN A 33 -12.758 -18.918 -35.041 1.00 0.65 C +ATOM 268 CB ASN A 33 -13.673 -18.182 -37.257 1.00 0.65 C +ATOM 269 O ASN A 33 -13.011 -17.795 -34.604 1.00 0.65 O +ATOM 270 CG ASN A 33 -13.469 -18.474 -38.731 1.00 0.65 C +ATOM 271 ND2 ASN A 33 -14.084 -17.667 -39.586 1.00 0.65 N +ATOM 272 OD1 ASN A 33 -12.765 -19.419 -39.097 1.00 0.65 O +ATOM 273 N THR A 34 -12.445 -19.844 -34.172 1.00 0.09 N +ATOM 274 CA THR A 34 -11.582 -19.663 -33.010 1.00 0.09 C +ATOM 275 C THR A 34 -10.474 -18.658 -33.311 1.00 0.09 C +ATOM 276 CB THR A 34 -10.959 -20.999 -32.564 1.00 0.09 C +ATOM 277 O THR A 34 -9.289 -18.975 -33.185 1.00 0.09 O +ATOM 278 CG2 THR A 34 -12.007 -21.912 -31.937 1.00 0.09 C +ATOM 279 OG1 THR A 34 -10.388 -21.657 -33.702 1.00 0.09 O +ATOM 280 N ARG A 35 -10.580 -17.717 -34.291 1.00 0.01 N +ATOM 281 CA ARG A 35 -9.571 -16.675 -34.135 1.00 0.01 C +ATOM 282 C ARG A 35 -9.693 -15.994 -32.776 1.00 0.01 C +ATOM 283 CB ARG A 35 -9.691 -15.638 -35.254 1.00 0.01 C +ATOM 284 O ARG A 35 -10.654 -15.262 -32.527 1.00 0.01 O +ATOM 285 CG ARG A 35 -9.190 -16.127 -36.603 1.00 0.01 C +ATOM 286 CD ARG A 35 -9.290 -15.044 -37.668 1.00 0.01 C +ATOM 287 NE ARG A 35 -8.803 -15.514 -38.962 1.00 0.01 N +ATOM 288 NH1 ARG A 35 -9.353 -13.582 -40.103 1.00 0.01 N +ATOM 289 NH2 ARG A 35 -8.373 -15.333 -41.211 1.00 0.01 N +ATOM 290 CZ ARG A 35 -8.844 -14.809 -40.089 1.00 0.01 C +ATOM 291 N ASP A 36 -8.945 -16.400 -31.769 1.00 0.05 N +ATOM 292 CA ASP A 36 -8.785 -15.697 -30.500 1.00 0.05 C +ATOM 293 C ASP A 36 -8.844 -14.184 -30.698 1.00 0.05 C +ATOM 294 CB ASP A 36 -7.465 -16.090 -29.832 1.00 0.05 C +ATOM 295 O ASP A 36 -8.155 -13.639 -31.563 1.00 0.05 O +ATOM 296 CG ASP A 36 -7.492 -15.922 -28.322 1.00 0.05 C +ATOM 297 OD1 ASP A 36 -8.242 -15.059 -27.818 1.00 0.05 O +ATOM 298 OD2 ASP A 36 -6.754 -16.658 -27.632 1.00 0.05 O +ATOM 299 N PRO A 37 -9.928 -13.374 -30.206 1.00 0.00 N +ATOM 300 CA PRO A 37 -9.911 -11.918 -30.357 1.00 0.00 C +ATOM 301 C PRO A 37 -8.511 -11.325 -30.212 1.00 0.00 C +ATOM 302 CB PRO A 37 -10.827 -11.435 -29.230 1.00 0.00 C +ATOM 303 O PRO A 37 -8.280 -10.176 -30.597 1.00 0.00 O +ATOM 304 CG PRO A 37 -10.822 -12.547 -28.231 1.00 0.00 C +ATOM 305 CD PRO A 37 -10.590 -13.840 -28.958 1.00 0.00 C +ATOM 306 N PHE A 38 -7.558 -12.157 -29.877 1.00 0.01 N +ATOM 307 CA PHE A 38 -6.156 -11.786 -29.728 1.00 0.01 C +ATOM 308 C PHE A 38 -5.340 -12.260 -30.926 1.00 0.01 C +ATOM 309 CB PHE A 38 -5.578 -12.369 -28.435 1.00 0.01 C +ATOM 310 O PHE A 38 -4.138 -12.000 -31.007 1.00 0.01 O +ATOM 311 CG PHE A 38 -6.251 -11.864 -27.188 1.00 0.01 C +ATOM 312 CD1 PHE A 38 -6.024 -10.570 -26.734 1.00 0.01 C +ATOM 313 CD2 PHE A 38 -7.110 -12.684 -26.468 1.00 0.01 C +ATOM 314 CE1 PHE A 38 -6.646 -10.100 -25.580 1.00 0.01 C +ATOM 315 CE2 PHE A 38 -7.735 -12.221 -25.313 1.00 0.01 C +ATOM 316 CZ PHE A 38 -7.501 -10.929 -24.870 1.00 0.01 C +ATOM 317 N ASP A 39 -5.777 -12.942 -31.864 1.00 0.00 N +ATOM 318 CA ASP A 39 -5.054 -13.343 -33.067 1.00 0.00 C +ATOM 319 C ASP A 39 -4.951 -12.186 -34.057 1.00 0.00 C +ATOM 320 CB ASP A 39 -5.735 -14.543 -33.728 1.00 0.00 C +ATOM 321 O ASP A 39 -4.717 -12.400 -35.249 1.00 0.00 O +ATOM 322 CG ASP A 39 -5.300 -15.872 -33.136 1.00 0.00 C +ATOM 323 OD1 ASP A 39 -4.247 -15.926 -32.466 1.00 0.00 O +ATOM 324 OD2 ASP A 39 -6.016 -16.876 -33.345 1.00 0.00 O +ATOM 325 N GLY A 40 -5.316 -11.013 -33.608 1.00 0.04 N +ATOM 326 CA GLY A 40 -5.025 -9.837 -34.413 1.00 0.04 C +ATOM 327 C GLY A 40 -3.542 -9.638 -34.664 1.00 0.04 C +ATOM 328 O GLY A 40 -2.721 -9.865 -33.773 1.00 0.04 O +ATOM 329 N PRO A 41 -3.071 -9.383 -35.853 1.00 0.04 N +ATOM 330 CA PRO A 41 -1.646 -9.323 -36.186 1.00 0.04 C +ATOM 331 C PRO A 41 -0.861 -8.402 -35.255 1.00 0.04 C +ATOM 332 CB PRO A 41 -1.641 -8.783 -37.619 1.00 0.04 C +ATOM 333 O PRO A 41 0.367 -8.332 -35.340 1.00 0.04 O +ATOM 334 CG PRO A 41 -2.928 -8.034 -37.749 1.00 0.04 C +ATOM 335 CD PRO A 41 -3.954 -8.692 -36.873 1.00 0.04 C +ATOM 336 N ASN A 42 -1.572 -7.773 -34.427 1.00 0.04 N +ATOM 337 CA ASN A 42 -0.898 -6.735 -33.655 1.00 0.04 C +ATOM 338 C ASN A 42 -0.651 -7.178 -32.216 1.00 0.04 C +ATOM 339 CB ASN A 42 -1.708 -5.437 -33.680 1.00 0.04 C +ATOM 340 O ASN A 42 0.024 -6.482 -31.456 1.00 0.04 O +ATOM 341 CG ASN A 42 -1.721 -4.782 -35.047 1.00 0.04 C +ATOM 342 ND2 ASN A 42 -2.792 -4.056 -35.347 1.00 0.04 N +ATOM 343 OD1 ASN A 42 -0.778 -4.929 -35.828 1.00 0.04 O +ATOM 344 N TYR A 43 -1.184 -8.312 -31.751 1.00 0.24 N +ATOM 345 CA TYR A 43 -0.796 -8.855 -30.453 1.00 0.24 C +ATOM 346 C TYR A 43 0.436 -9.742 -30.580 1.00 0.24 C +ATOM 347 CB TYR A 43 -1.951 -9.650 -29.836 1.00 0.24 C +ATOM 348 O TYR A 43 0.320 -10.967 -30.672 1.00 0.24 O +ATOM 349 CG TYR A 43 -3.051 -8.784 -29.272 1.00 0.24 C +ATOM 350 CD1 TYR A 43 -2.964 -8.266 -27.981 1.00 0.24 C +ATOM 351 CD2 TYR A 43 -4.178 -8.481 -30.027 1.00 0.24 C +ATOM 352 CE1 TYR A 43 -3.976 -7.469 -27.457 1.00 0.24 C +ATOM 353 CE2 TYR A 43 -5.197 -7.685 -29.513 1.00 0.24 C +ATOM 354 OH TYR A 43 -6.091 -6.396 -27.714 1.00 0.24 O +ATOM 355 CZ TYR A 43 -5.086 -7.184 -28.229 1.00 0.24 C +ATOM 356 N HIS A 44 1.547 -9.065 -30.769 1.00 6.48 N +ATOM 357 CA HIS A 44 2.783 -9.808 -30.550 1.00 6.48 C +ATOM 358 C HIS A 44 2.735 -10.583 -29.238 1.00 6.48 C +ATOM 359 CB HIS A 44 3.985 -8.862 -30.558 1.00 6.48 C +ATOM 360 O HIS A 44 2.936 -10.009 -28.165 1.00 6.48 O +ATOM 361 CG HIS A 44 4.254 -8.243 -31.893 1.00 6.48 C +ATOM 362 CD2 HIS A 44 4.105 -6.970 -32.329 1.00 6.48 C +ATOM 363 ND1 HIS A 44 4.735 -8.965 -32.963 1.00 6.48 N +ATOM 364 CE1 HIS A 44 4.872 -8.159 -34.004 1.00 6.48 C +ATOM 365 NE2 HIS A 44 4.496 -6.944 -33.645 1.00 6.48 N +ATOM 366 N ILE A 45 2.491 -11.809 -29.347 1.00 0.00 N +ATOM 367 CA ILE A 45 2.647 -12.704 -28.205 1.00 0.00 C +ATOM 368 C ILE A 45 4.050 -12.555 -27.621 1.00 0.00 C +ATOM 369 CB ILE A 45 2.384 -14.175 -28.600 1.00 0.00 C +ATOM 370 O ILE A 45 5.044 -12.830 -28.298 1.00 0.00 O +ATOM 371 CG1 ILE A 45 0.991 -14.320 -29.223 1.00 0.00 C +ATOM 372 CG2 ILE A 45 2.540 -15.095 -27.386 1.00 0.00 C +ATOM 373 CD1 ILE A 45 0.711 -15.701 -29.798 1.00 0.00 C +ATOM 374 N ALA A 46 4.090 -11.745 -26.555 1.00 1.20 N +ATOM 375 CA ALA A 46 5.369 -11.774 -25.852 1.00 1.20 C +ATOM 376 C ALA A 46 5.967 -13.178 -25.858 1.00 1.20 C +ATOM 377 CB ALA A 46 5.200 -11.279 -24.418 1.00 1.20 C +ATOM 378 O ALA A 46 5.243 -14.168 -25.727 1.00 1.20 O +ATOM 379 N PRO A 47 7.249 -13.383 -26.173 1.00 1.48 N +ATOM 380 CA PRO A 47 7.875 -14.705 -26.097 1.00 1.48 C +ATOM 381 C PRO A 47 7.585 -15.421 -24.780 1.00 1.48 C +ATOM 382 CB PRO A 47 9.368 -14.397 -26.234 1.00 1.48 C +ATOM 383 O PRO A 47 7.561 -14.788 -23.721 1.00 1.48 O +ATOM 384 CG PRO A 47 9.422 -13.069 -26.918 1.00 1.48 C +ATOM 385 CD PRO A 47 8.213 -12.275 -26.515 1.00 1.48 C +ATOM 386 N ARG A 48 7.397 -16.771 -24.709 1.00 0.00 N +ATOM 387 CA ARG A 48 6.981 -17.615 -23.593 1.00 0.00 C +ATOM 388 C ARG A 48 7.879 -17.399 -22.379 1.00 0.00 C +ATOM 389 CB ARG A 48 6.996 -19.090 -24.000 1.00 0.00 C +ATOM 390 O ARG A 48 7.422 -17.494 -21.238 1.00 0.00 O +ATOM 391 CG ARG A 48 6.477 -20.031 -22.924 1.00 0.00 C +ATOM 392 CD ARG A 48 6.358 -21.460 -23.434 1.00 0.00 C +ATOM 393 NE ARG A 48 5.828 -22.356 -22.410 1.00 0.00 N +ATOM 394 NH1 ARG A 48 5.838 -24.235 -23.754 1.00 0.00 N +ATOM 395 NH2 ARG A 48 5.110 -24.375 -21.585 1.00 0.00 N +ATOM 396 CZ ARG A 48 5.594 -23.653 -22.585 1.00 0.00 C +ATOM 397 N TRP A 49 9.164 -16.987 -22.571 1.00 0.00 N +ATOM 398 CA TRP A 49 10.125 -16.777 -21.493 1.00 0.00 C +ATOM 399 C TRP A 49 9.758 -15.549 -20.668 1.00 0.00 C +ATOM 400 CB TRP A 49 11.540 -16.625 -22.056 1.00 0.00 C +ATOM 401 O TRP A 49 10.007 -15.507 -19.461 1.00 0.00 O +ATOM 402 CG TRP A 49 11.710 -15.446 -22.967 1.00 0.00 C +ATOM 403 CD1 TRP A 49 11.678 -15.449 -24.334 1.00 0.00 C +ATOM 404 CD2 TRP A 49 11.943 -14.090 -22.574 1.00 0.00 C +ATOM 405 CE2 TRP A 49 12.042 -13.323 -23.756 1.00 0.00 C +ATOM 406 CE3 TRP A 49 12.077 -13.448 -21.335 1.00 0.00 C +ATOM 407 NE1 TRP A 49 11.877 -14.175 -24.814 1.00 0.00 N +ATOM 408 CH2 TRP A 49 12.396 -11.342 -22.510 1.00 0.00 C +ATOM 409 CZ2 TRP A 49 12.269 -11.945 -23.735 1.00 0.00 C +ATOM 410 CZ3 TRP A 49 12.303 -12.077 -21.317 1.00 0.00 C +ATOM 411 N VAL A 50 9.128 -14.569 -21.215 1.00 0.11 N +ATOM 412 CA VAL A 50 8.659 -13.390 -20.495 1.00 0.11 C +ATOM 413 C VAL A 50 7.567 -13.788 -19.505 1.00 0.11 C +ATOM 414 CB VAL A 50 8.131 -12.307 -21.464 1.00 0.11 C +ATOM 415 O VAL A 50 7.609 -13.398 -18.336 1.00 0.11 O +ATOM 416 CG1 VAL A 50 7.564 -11.119 -20.688 1.00 0.11 C +ATOM 417 CG2 VAL A 50 9.240 -11.852 -22.410 1.00 0.11 C +ATOM 418 N TYR A 51 6.623 -14.681 -19.925 1.00 0.01 N +ATOM 419 CA TYR A 51 5.574 -15.207 -19.059 1.00 0.01 C +ATOM 420 C TYR A 51 6.164 -16.057 -17.940 1.00 0.01 C +ATOM 421 CB TYR A 51 4.572 -16.034 -19.870 1.00 0.01 C +ATOM 422 O TYR A 51 5.746 -15.952 -16.785 1.00 0.01 O +ATOM 423 CG TYR A 51 3.796 -15.226 -20.882 1.00 0.01 C +ATOM 424 CD1 TYR A 51 2.700 -14.457 -20.496 1.00 0.01 C +ATOM 425 CD2 TYR A 51 4.157 -15.230 -22.225 1.00 0.01 C +ATOM 426 CE1 TYR A 51 1.981 -13.713 -21.426 1.00 0.01 C +ATOM 427 CE2 TYR A 51 3.445 -14.490 -23.163 1.00 0.01 C +ATOM 428 OH TYR A 51 1.653 -13.000 -23.679 1.00 0.01 O +ATOM 429 CZ TYR A 51 2.361 -13.735 -22.755 1.00 0.01 C +ATOM 430 N ASN A 52 7.159 -16.798 -18.264 1.00 0.11 N +ATOM 431 CA ASN A 52 7.848 -17.608 -17.265 1.00 0.11 C +ATOM 432 C ASN A 52 8.560 -16.739 -16.233 1.00 0.11 C +ATOM 433 CB ASN A 52 8.842 -18.557 -17.937 1.00 0.11 C +ATOM 434 O ASN A 52 8.433 -16.969 -15.029 1.00 0.11 O +ATOM 435 CG ASN A 52 8.159 -19.643 -18.744 1.00 0.11 C +ATOM 436 ND2 ASN A 52 8.932 -20.351 -19.559 1.00 0.11 N +ATOM 437 OD1 ASN A 52 6.946 -19.844 -18.637 1.00 0.11 O +ATOM 438 N ILE A 53 9.243 -15.670 -16.643 1.00 0.55 N +ATOM 439 CA ILE A 53 9.914 -14.741 -15.739 1.00 0.55 C +ATOM 440 C ILE A 53 8.879 -14.029 -14.870 1.00 0.55 C +ATOM 441 CB ILE A 53 10.762 -13.710 -16.516 1.00 0.55 C +ATOM 442 O ILE A 53 9.042 -13.935 -13.652 1.00 0.55 O +ATOM 443 CG1 ILE A 53 12.011 -14.379 -17.102 1.00 0.55 C +ATOM 444 CG2 ILE A 53 11.144 -12.534 -15.612 1.00 0.55 C +ATOM 445 CD1 ILE A 53 12.792 -13.495 -18.065 1.00 0.55 C +ATOM 446 N ALA A 54 7.796 -13.610 -15.449 1.00 0.63 N +ATOM 447 CA ALA A 54 6.706 -12.945 -14.741 1.00 0.63 C +ATOM 448 C ALA A 54 6.087 -13.867 -13.695 1.00 0.63 C +ATOM 449 CB ALA A 54 5.640 -12.474 -15.727 1.00 0.63 C +ATOM 450 O ALA A 54 5.869 -13.461 -12.551 1.00 0.63 O +ATOM 451 N THR A 55 5.919 -15.074 -13.975 1.00 0.23 N +ATOM 452 CA THR A 55 5.394 -16.099 -13.080 1.00 0.23 C +ATOM 453 C THR A 55 6.356 -16.352 -11.924 1.00 0.23 C +ATOM 454 CB THR A 55 5.133 -17.417 -13.833 1.00 0.23 C +ATOM 455 O THR A 55 5.955 -16.327 -10.758 1.00 0.23 O +ATOM 456 CG2 THR A 55 4.571 -18.482 -12.898 1.00 0.23 C +ATOM 457 OG1 THR A 55 4.194 -17.180 -14.889 1.00 0.23 O +ATOM 458 N VAL A 56 7.580 -16.535 -12.271 1.00 0.11 N +ATOM 459 CA VAL A 56 8.594 -16.749 -11.243 1.00 0.11 C +ATOM 460 C VAL A 56 8.668 -15.529 -10.328 1.00 0.11 C +ATOM 461 CB VAL A 56 9.980 -17.034 -11.864 1.00 0.11 C +ATOM 462 O VAL A 56 8.655 -15.663 -9.102 1.00 0.11 O +ATOM 463 CG1 VAL A 56 11.067 -17.013 -10.791 1.00 0.11 C +ATOM 464 CG2 VAL A 56 9.971 -18.375 -12.595 1.00 0.11 C +ATOM 465 N TRP A 57 8.650 -14.361 -10.872 1.00 5.75 N +ATOM 466 CA TRP A 57 8.649 -13.120 -10.104 1.00 5.75 C +ATOM 467 C TRP A 57 7.431 -13.046 -9.190 1.00 5.75 C +ATOM 468 CB TRP A 57 8.674 -11.909 -11.041 1.00 5.75 C +ATOM 469 O TRP A 57 7.561 -12.774 -7.994 1.00 5.75 O +ATOM 470 CG TRP A 57 8.597 -10.590 -10.332 1.00 5.75 C +ATOM 471 CD1 TRP A 57 7.509 -9.768 -10.235 1.00 5.75 C +ATOM 472 CD2 TRP A 57 9.657 -9.937 -9.625 1.00 5.75 C +ATOM 473 CE2 TRP A 57 9.138 -8.723 -9.123 1.00 5.75 C +ATOM 474 CE3 TRP A 57 10.995 -10.262 -9.366 1.00 5.75 C +ATOM 475 NE1 TRP A 57 7.827 -8.644 -9.509 1.00 5.75 N +ATOM 476 CH2 TRP A 57 11.219 -8.175 -8.138 1.00 5.75 C +ATOM 477 CZ2 TRP A 57 9.913 -7.832 -8.377 1.00 5.75 C +ATOM 478 CZ3 TRP A 57 11.764 -9.375 -8.623 1.00 5.75 C +ATOM 479 N MET A 58 6.234 -13.406 -9.659 1.00 0.01 N +ATOM 480 CA MET A 58 5.004 -13.392 -8.873 1.00 0.01 C +ATOM 481 C MET A 58 5.091 -14.372 -7.708 1.00 0.01 C +ATOM 482 CB MET A 58 3.799 -13.731 -9.753 1.00 0.01 C +ATOM 483 O MET A 58 4.724 -14.037 -6.581 1.00 0.01 O +ATOM 484 CG MET A 58 3.378 -12.600 -10.677 1.00 0.01 C +ATOM 485 SD MET A 58 2.887 -11.088 -9.760 1.00 0.01 S +ATOM 486 CE MET A 58 1.397 -11.693 -8.920 1.00 0.01 C +ATOM 487 N PHE A 59 5.690 -15.540 -7.899 1.00 0.00 N +ATOM 488 CA PHE A 59 5.896 -16.506 -6.826 1.00 0.00 C +ATOM 489 C PHE A 59 6.855 -15.954 -5.778 1.00 0.00 C +ATOM 490 CB PHE A 59 6.433 -17.827 -7.385 1.00 0.00 C +ATOM 491 O PHE A 59 6.592 -16.049 -4.577 1.00 0.00 O +ATOM 492 CG PHE A 59 5.364 -18.734 -7.932 1.00 0.00 C +ATOM 493 CD1 PHE A 59 4.437 -19.328 -7.085 1.00 0.00 C +ATOM 494 CD2 PHE A 59 5.286 -18.992 -9.295 1.00 0.00 C +ATOM 495 CE1 PHE A 59 3.446 -20.168 -7.589 1.00 0.00 C +ATOM 496 CE2 PHE A 59 4.299 -19.830 -9.805 1.00 0.00 C +ATOM 497 CZ PHE A 59 3.381 -20.418 -8.950 1.00 0.00 C +ATOM 498 N VAL A 60 7.911 -15.314 -6.247 1.00 0.11 N +ATOM 499 CA VAL A 60 8.868 -14.682 -5.344 1.00 0.11 C +ATOM 500 C VAL A 60 8.172 -13.588 -4.537 1.00 0.11 C +ATOM 501 CB VAL A 60 10.070 -14.092 -6.115 1.00 0.11 C +ATOM 502 O VAL A 60 8.290 -13.544 -3.310 1.00 0.11 O +ATOM 503 CG1 VAL A 60 10.947 -13.253 -5.187 1.00 0.11 C +ATOM 504 CG2 VAL A 60 10.888 -15.208 -6.763 1.00 0.11 C +ATOM 505 N VAL A 61 7.364 -12.751 -5.150 1.00 0.00 N +ATOM 506 CA VAL A 61 6.620 -11.674 -4.505 1.00 0.00 C +ATOM 507 C VAL A 61 5.633 -12.258 -3.496 1.00 0.00 C +ATOM 508 CB VAL A 61 5.871 -10.803 -5.538 1.00 0.00 C +ATOM 509 O VAL A 61 5.561 -11.801 -2.353 1.00 0.00 O +ATOM 510 CG1 VAL A 61 4.891 -9.860 -4.842 1.00 0.00 C +ATOM 511 CG2 VAL A 61 6.864 -10.013 -6.388 1.00 0.00 C +ATOM 512 N VAL A 62 4.936 -13.309 -3.756 1.00 4.73 N +ATOM 513 CA VAL A 62 3.974 -13.957 -2.872 1.00 4.73 C +ATOM 514 C VAL A 62 4.688 -14.488 -1.631 1.00 4.73 C +ATOM 515 CB VAL A 62 3.227 -15.104 -3.589 1.00 4.73 C +ATOM 516 O VAL A 62 4.267 -14.222 -0.503 1.00 4.73 O +ATOM 517 CG1 VAL A 62 2.422 -15.933 -2.589 1.00 4.73 C +ATOM 518 CG2 VAL A 62 2.315 -14.546 -4.681 1.00 4.73 C +ATOM 519 N ILE A 63 5.767 -15.220 -1.848 1.00 0.30 N +ATOM 520 CA ILE A 63 6.509 -15.817 -0.743 1.00 0.30 C +ATOM 521 C ILE A 63 7.055 -14.718 0.166 1.00 0.30 C +ATOM 522 CB ILE A 63 7.661 -16.711 -1.255 1.00 0.30 C +ATOM 523 O ILE A 63 6.828 -14.737 1.378 1.00 0.30 O +ATOM 524 CG1 ILE A 63 7.102 -17.976 -1.916 1.00 0.30 C +ATOM 525 CG2 ILE A 63 8.617 -17.067 -0.112 1.00 0.30 C +ATOM 526 CD1 ILE A 63 8.134 -18.769 -2.706 1.00 0.30 C +ATOM 527 N LEU A 64 7.690 -13.708 -0.430 1.00 0.01 N +ATOM 528 CA LEU A 64 8.318 -12.640 0.340 1.00 0.01 C +ATOM 529 C LEU A 64 7.266 -11.762 1.010 1.00 0.01 C +ATOM 530 CB LEU A 64 9.214 -11.786 -0.560 1.00 0.01 C +ATOM 531 O LEU A 64 7.388 -11.431 2.191 1.00 0.01 O +ATOM 532 CG LEU A 64 10.476 -12.462 -1.098 1.00 0.01 C +ATOM 533 CD1 LEU A 64 11.261 -11.496 -1.979 1.00 0.01 C +ATOM 534 CD2 LEU A 64 11.342 -12.970 0.050 1.00 0.01 C +ATOM 535 N SER A 65 6.174 -11.391 0.339 1.00 0.15 N +ATOM 536 CA SER A 65 5.085 -10.591 0.889 1.00 0.15 C +ATOM 537 C SER A 65 4.367 -11.332 2.012 1.00 0.15 C +ATOM 538 CB SER A 65 4.086 -10.219 -0.207 1.00 0.15 C +ATOM 539 O SER A 65 4.208 -10.799 3.112 1.00 0.15 O +ATOM 540 OG SER A 65 3.040 -9.419 0.316 1.00 0.15 O +ATOM 541 N THR A 66 4.023 -12.597 1.825 1.00 2.45 N +ATOM 542 CA THR A 66 3.359 -13.399 2.847 1.00 2.45 C +ATOM 543 C THR A 66 4.258 -13.572 4.067 1.00 2.45 C +ATOM 544 CB THR A 66 2.960 -14.782 2.300 1.00 2.45 C +ATOM 545 O THR A 66 3.801 -13.442 5.205 1.00 2.45 O +ATOM 546 CG2 THR A 66 2.210 -15.593 3.351 1.00 2.45 C +ATOM 547 OG1 THR A 66 2.117 -14.611 1.154 1.00 2.45 O +ATOM 548 N PHE A 67 5.525 -13.827 3.849 1.00 0.99 N +ATOM 549 CA PHE A 67 6.484 -13.980 4.937 1.00 0.99 C +ATOM 550 C PHE A 67 6.650 -12.672 5.700 1.00 0.99 C +ATOM 551 CB PHE A 67 7.839 -14.449 4.398 1.00 0.99 C +ATOM 552 O PHE A 67 6.490 -12.636 6.922 1.00 0.99 O +ATOM 553 CG PHE A 67 8.910 -14.545 5.450 1.00 0.99 C +ATOM 554 CD1 PHE A 67 8.938 -15.613 6.338 1.00 0.99 C +ATOM 555 CD2 PHE A 67 9.891 -13.567 5.551 1.00 0.99 C +ATOM 556 CE1 PHE A 67 9.929 -15.705 7.313 1.00 0.99 C +ATOM 557 CE2 PHE A 67 10.884 -13.651 6.522 1.00 0.99 C +ATOM 558 CZ PHE A 67 10.901 -14.720 7.403 1.00 0.99 C +ATOM 559 N THR A 68 6.927 -11.515 5.028 1.00 0.16 N +ATOM 560 CA THR A 68 7.222 -10.237 5.665 1.00 0.16 C +ATOM 561 C THR A 68 5.980 -9.675 6.351 1.00 0.16 C +ATOM 562 CB THR A 68 7.755 -9.214 4.645 1.00 0.16 C +ATOM 563 O THR A 68 6.040 -9.255 7.509 1.00 0.16 O +ATOM 564 CG2 THR A 68 9.153 -9.592 4.166 1.00 0.16 C +ATOM 565 OG1 THR A 68 6.872 -9.167 3.518 1.00 0.16 O +ATOM 566 N ASN A 69 4.800 -9.708 5.692 1.00 0.00 N +ATOM 567 CA ASN A 69 3.545 -9.278 6.299 1.00 0.00 C +ATOM 568 C ASN A 69 3.099 -10.235 7.400 1.00 0.00 C +ATOM 569 CB ASN A 69 2.453 -9.145 5.236 1.00 0.00 C +ATOM 570 O ASN A 69 2.606 -9.801 8.443 1.00 0.00 O +ATOM 571 CG ASN A 69 2.611 -7.897 4.389 1.00 0.00 C +ATOM 572 ND2 ASN A 69 2.926 -8.083 3.113 1.00 0.00 N +ATOM 573 OD1 ASN A 69 2.452 -6.776 4.878 1.00 0.00 O +ATOM 574 N GLY A 70 3.316 -11.565 7.274 1.00 0.00 N +ATOM 575 CA GLY A 70 3.111 -12.546 8.327 1.00 0.00 C +ATOM 576 C GLY A 70 3.919 -12.257 9.578 1.00 0.00 C +ATOM 577 O GLY A 70 3.393 -12.316 10.691 1.00 0.00 O +ATOM 578 N LEU A 71 5.185 -11.813 9.452 1.00 0.03 N +ATOM 579 CA LEU A 71 6.041 -11.407 10.561 1.00 0.03 C +ATOM 580 C LEU A 71 5.450 -10.207 11.293 1.00 0.03 C +ATOM 581 CB LEU A 71 7.448 -11.071 10.058 1.00 0.03 C +ATOM 582 O LEU A 71 5.463 -10.159 12.525 1.00 0.03 O +ATOM 583 CG LEU A 71 8.325 -12.258 9.655 1.00 0.03 C +ATOM 584 CD1 LEU A 71 9.663 -11.767 9.112 1.00 0.03 C +ATOM 585 CD2 LEU A 71 8.534 -13.195 10.840 1.00 0.03 C +ATOM 586 N VAL A 72 4.884 -9.268 10.571 1.00 0.00 N +ATOM 587 CA VAL A 72 4.238 -8.097 11.154 1.00 0.00 C +ATOM 588 C VAL A 72 3.023 -8.530 11.971 1.00 0.00 C +ATOM 589 CB VAL A 72 3.816 -7.082 10.068 1.00 0.00 C +ATOM 590 O VAL A 72 2.861 -8.115 13.121 1.00 0.00 O +ATOM 591 CG1 VAL A 72 2.963 -5.968 10.673 1.00 0.00 C +ATOM 592 CG2 VAL A 72 5.047 -6.501 9.374 1.00 0.00 C +ATOM 593 N LEU A 73 2.177 -9.438 11.458 1.00 0.00 N +ATOM 594 CA LEU A 73 0.984 -9.938 12.131 1.00 0.00 C +ATOM 595 C LEU A 73 1.354 -10.714 13.390 1.00 0.00 C +ATOM 596 CB LEU A 73 0.172 -10.831 11.188 1.00 0.00 C +ATOM 597 O LEU A 73 0.836 -10.432 14.473 1.00 0.00 O +ATOM 598 CG LEU A 73 -0.435 -10.147 9.962 1.00 0.00 C +ATOM 599 CD1 LEU A 73 -1.215 -11.155 9.125 1.00 0.00 C +ATOM 600 CD2 LEU A 73 -1.332 -8.988 10.385 1.00 0.00 C +ATOM 601 N VAL A 74 2.334 -11.629 13.328 1.00 0.00 N +ATOM 602 CA VAL A 74 2.777 -12.460 14.442 1.00 0.00 C +ATOM 603 C VAL A 74 3.435 -11.588 15.508 1.00 0.00 C +ATOM 604 CB VAL A 74 3.757 -13.560 13.975 1.00 0.00 C +ATOM 605 O VAL A 74 3.161 -11.742 16.701 1.00 0.00 O +ATOM 606 CG1 VAL A 74 4.355 -14.295 15.174 1.00 0.00 C +ATOM 607 CG2 VAL A 74 3.050 -14.541 13.041 1.00 0.00 C +ATOM 608 N ALA A 75 4.242 -10.600 15.124 1.00 0.00 N +ATOM 609 CA ALA A 75 4.890 -9.685 16.060 1.00 0.00 C +ATOM 610 C ALA A 75 3.860 -8.844 16.807 1.00 0.00 C +ATOM 611 CB ALA A 75 5.878 -8.783 15.325 1.00 0.00 C +ATOM 612 O ALA A 75 3.894 -8.757 18.037 1.00 0.00 O +ATOM 613 N THR A 76 2.858 -8.263 16.133 1.00 0.00 N +ATOM 614 CA THR A 76 1.835 -7.414 16.734 1.00 0.00 C +ATOM 615 C THR A 76 0.931 -8.227 17.656 1.00 0.00 C +ATOM 616 CB THR A 76 0.983 -6.719 15.656 1.00 0.00 C +ATOM 617 O THR A 76 0.552 -7.760 18.732 1.00 0.00 O +ATOM 618 CG2 THR A 76 -0.029 -5.766 16.285 1.00 0.00 C +ATOM 619 OG1 THR A 76 1.841 -5.977 14.781 1.00 0.00 O +ATOM 620 N ALA A 77 0.658 -9.537 17.321 1.00 0.00 N +ATOM 621 CA ALA A 77 -0.144 -10.438 18.144 1.00 0.00 C +ATOM 622 C ALA A 77 0.614 -10.853 19.402 1.00 0.00 C +ATOM 623 CB ALA A 77 -0.552 -11.671 17.342 1.00 0.00 C +ATOM 624 O ALA A 77 0.060 -10.834 20.503 1.00 0.00 O +ATOM 625 N LYS A 78 1.863 -11.088 19.282 1.00 0.01 N +ATOM 626 CA LYS A 78 2.694 -11.634 20.351 1.00 0.01 C +ATOM 627 C LYS A 78 3.088 -10.551 21.350 1.00 0.01 C +ATOM 628 CB LYS A 78 3.947 -12.294 19.772 1.00 0.01 C +ATOM 629 O LYS A 78 3.051 -10.774 22.562 1.00 0.01 O +ATOM 630 CG LYS A 78 4.834 -12.960 20.815 1.00 0.01 C +ATOM 631 CD LYS A 78 5.945 -13.774 20.165 1.00 0.01 C +ATOM 632 CE LYS A 78 6.837 -14.435 21.208 1.00 0.01 C +ATOM 633 NZ LYS A 78 7.889 -15.287 20.576 1.00 0.01 N +ATOM 634 N PHE A 79 3.403 -9.363 20.942 1.00 0.00 N +ATOM 635 CA PHE A 79 4.004 -8.345 21.795 1.00 0.00 C +ATOM 636 C PHE A 79 2.994 -7.254 22.131 1.00 0.00 C +ATOM 637 CB PHE A 79 5.234 -7.732 21.119 1.00 0.00 C +ATOM 638 O PHE A 79 2.675 -6.415 21.286 1.00 0.00 O +ATOM 639 CG PHE A 79 6.355 -8.710 20.896 1.00 0.00 C +ATOM 640 CD1 PHE A 79 7.178 -9.096 21.947 1.00 0.00 C +ATOM 641 CD2 PHE A 79 6.587 -9.244 19.635 1.00 0.00 C +ATOM 642 CE1 PHE A 79 8.218 -10.001 21.744 1.00 0.00 C +ATOM 643 CE2 PHE A 79 7.623 -10.149 19.425 1.00 0.00 C +ATOM 644 CZ PHE A 79 8.438 -10.525 20.480 1.00 0.00 C +ATOM 645 N LYS A 80 2.636 -7.124 23.446 1.00 0.00 N +ATOM 646 CA LYS A 80 1.650 -6.180 23.963 1.00 0.00 C +ATOM 647 C LYS A 80 2.071 -4.739 23.687 1.00 0.00 C +ATOM 648 CB LYS A 80 1.443 -6.387 25.464 1.00 0.00 C +ATOM 649 O LYS A 80 1.228 -3.880 23.420 1.00 0.00 O +ATOM 650 CG LYS A 80 0.678 -7.655 25.814 1.00 0.00 C +ATOM 651 CD LYS A 80 0.365 -7.726 27.303 1.00 0.00 C +ATOM 652 CE LYS A 80 -0.400 -8.995 27.655 1.00 0.00 C +ATOM 653 NZ LYS A 80 -0.692 -9.078 29.117 1.00 0.00 N +ATOM 654 N LYS A 81 3.338 -4.508 23.637 1.00 0.01 N +ATOM 655 CA LYS A 81 3.915 -3.188 23.401 1.00 0.01 C +ATOM 656 C LYS A 81 3.646 -2.718 21.975 1.00 0.01 C +ATOM 657 CB LYS A 81 5.421 -3.204 23.672 1.00 0.01 C +ATOM 658 O LYS A 81 3.709 -1.520 21.688 1.00 0.01 O +ATOM 659 CG LYS A 81 6.198 -4.167 22.787 1.00 0.01 C +ATOM 660 CD LYS A 81 7.687 -4.146 23.110 1.00 0.01 C +ATOM 661 CE LYS A 81 8.474 -5.063 22.184 1.00 0.01 C +ATOM 662 NZ LYS A 81 9.931 -5.064 22.514 1.00 0.01 N +ATOM 663 N LEU A 82 3.316 -3.617 21.038 1.00 0.00 N +ATOM 664 CA LEU A 82 2.972 -3.301 19.656 1.00 0.00 C +ATOM 665 C LEU A 82 1.465 -3.130 19.496 1.00 0.00 C +ATOM 666 CB LEU A 82 3.476 -4.397 18.714 1.00 0.00 C +ATOM 667 O LEU A 82 0.981 -2.850 18.398 1.00 0.00 O +ATOM 668 CG LEU A 82 4.992 -4.581 18.637 1.00 0.00 C +ATOM 669 CD1 LEU A 82 5.344 -5.664 17.623 1.00 0.00 C +ATOM 670 CD2 LEU A 82 5.673 -3.264 18.278 1.00 0.00 C +ATOM 671 N ARG A 83 0.697 -3.256 20.510 1.00 0.00 N +ATOM 672 CA ARG A 83 -0.744 -3.041 20.421 1.00 0.00 C +ATOM 673 C ARG A 83 -1.087 -1.563 20.570 1.00 0.00 C +ATOM 674 CB ARG A 83 -1.476 -3.859 21.487 1.00 0.00 C +ATOM 675 O ARG A 83 -2.027 -1.208 21.284 1.00 0.00 O +ATOM 676 CG ARG A 83 -1.311 -5.363 21.331 1.00 0.00 C +ATOM 677 CD ARG A 83 -2.185 -6.131 22.312 1.00 0.00 C +ATOM 678 NE ARG A 83 -2.005 -7.574 22.179 1.00 0.00 N +ATOM 679 NH1 ARG A 83 -3.438 -8.120 23.908 1.00 0.00 N +ATOM 680 NH2 ARG A 83 -2.369 -9.773 22.733 1.00 0.00 N +ATOM 681 CZ ARG A 83 -2.604 -8.486 22.940 1.00 0.00 C +ATOM 682 N HIS A 84 -0.364 -0.702 19.976 1.00 0.00 N +ATOM 683 CA HIS A 84 -0.601 0.726 19.800 1.00 0.00 C +ATOM 684 C HIS A 84 -1.522 0.990 18.614 1.00 0.00 C +ATOM 685 CB HIS A 84 0.723 1.470 19.612 1.00 0.00 C +ATOM 686 O HIS A 84 -1.475 0.270 17.614 1.00 0.00 O +ATOM 687 CG HIS A 84 0.586 2.959 19.657 1.00 0.00 C +ATOM 688 CD2 HIS A 84 0.628 3.824 20.698 1.00 0.00 C +ATOM 689 ND1 HIS A 84 0.374 3.721 18.529 1.00 0.00 N +ATOM 690 CE1 HIS A 84 0.293 4.995 18.875 1.00 0.00 C +ATOM 691 NE2 HIS A 84 0.444 5.085 20.185 1.00 0.00 N +ATOM 692 N PRO A 85 -2.350 2.061 18.553 1.00 0.00 N +ATOM 693 CA PRO A 85 -3.336 2.337 17.505 1.00 0.00 C +ATOM 694 C PRO A 85 -2.718 2.376 16.109 1.00 0.00 C +ATOM 695 CB PRO A 85 -3.890 3.709 17.896 1.00 0.00 C +ATOM 696 O PRO A 85 -3.257 1.778 15.175 1.00 0.00 O +ATOM 697 CG PRO A 85 -3.840 3.730 19.390 1.00 0.00 C +ATOM 698 CD PRO A 85 -2.585 3.034 19.834 1.00 0.00 C +ATOM 699 N LEU A 86 -1.515 2.920 15.984 1.00 0.00 N +ATOM 700 CA LEU A 86 -0.780 2.963 14.725 1.00 0.00 C +ATOM 701 C LEU A 86 -0.502 1.555 14.209 1.00 0.00 C +ATOM 702 CB LEU A 86 0.536 3.725 14.897 1.00 0.00 C +ATOM 703 O LEU A 86 -0.577 1.304 13.004 1.00 0.00 O +ATOM 704 CG LEU A 86 1.435 3.814 13.663 1.00 0.00 C +ATOM 705 CD1 LEU A 86 0.744 4.607 12.559 1.00 0.00 C +ATOM 706 CD2 LEU A 86 2.776 4.445 14.022 1.00 0.00 C +ATOM 707 N ASN A 87 -0.221 0.655 15.086 1.00 0.00 N +ATOM 708 CA ASN A 87 0.121 -0.709 14.696 1.00 0.00 C +ATOM 709 C ASN A 87 -1.108 -1.482 14.226 1.00 0.00 C +ATOM 710 CB ASN A 87 0.800 -1.444 15.853 1.00 0.00 C +ATOM 711 O ASN A 87 -0.996 -2.395 13.406 1.00 0.00 O +ATOM 712 CG ASN A 87 2.158 -0.863 16.196 1.00 0.00 C +ATOM 713 ND2 ASN A 87 2.625 -1.125 17.411 1.00 0.00 N +ATOM 714 OD1 ASN A 87 2.782 -0.184 15.376 1.00 0.00 O +ATOM 715 N TRP A 88 -2.320 -1.134 14.619 1.00 0.00 N +ATOM 716 CA TRP A 88 -3.543 -1.722 14.083 1.00 0.00 C +ATOM 717 C TRP A 88 -3.732 -1.346 12.617 1.00 0.00 C +ATOM 718 CB TRP A 88 -4.758 -1.274 14.899 1.00 0.00 C +ATOM 719 O TRP A 88 -4.164 -2.171 11.809 1.00 0.00 O +ATOM 720 CG TRP A 88 -4.850 -1.909 16.254 1.00 0.00 C +ATOM 721 CD1 TRP A 88 -4.770 -1.281 17.466 1.00 0.00 C +ATOM 722 CD2 TRP A 88 -5.035 -3.300 16.534 1.00 0.00 C +ATOM 723 CE2 TRP A 88 -5.058 -3.444 17.939 1.00 0.00 C +ATOM 724 CE3 TRP A 88 -5.184 -4.440 15.733 1.00 0.00 C +ATOM 725 NE1 TRP A 88 -4.895 -2.199 18.484 1.00 0.00 N +ATOM 726 CH2 TRP A 88 -5.369 -5.783 17.753 1.00 0.00 C +ATOM 727 CZ2 TRP A 88 -5.225 -4.684 18.560 1.00 0.00 C +ATOM 728 CZ3 TRP A 88 -5.350 -5.673 16.353 1.00 0.00 C +ATOM 729 N ILE A 89 -3.345 -0.159 12.217 1.00 0.00 N +ATOM 730 CA ILE A 89 -3.381 0.256 10.819 1.00 0.00 C +ATOM 731 C ILE A 89 -2.326 -0.511 10.025 1.00 0.00 C +ATOM 732 CB ILE A 89 -3.158 1.778 10.675 1.00 0.00 C +ATOM 733 O ILE A 89 -2.579 -0.938 8.896 1.00 0.00 O +ATOM 734 CG1 ILE A 89 -4.170 2.549 11.530 1.00 0.00 C +ATOM 735 CG2 ILE A 89 -3.248 2.201 9.205 1.00 0.00 C +ATOM 736 CD1 ILE A 89 -3.829 4.022 11.715 1.00 0.00 C +ATOM 737 N LEU A 90 -1.228 -0.819 10.639 1.00 0.00 N +ATOM 738 CA LEU A 90 -0.187 -1.629 10.017 1.00 0.00 C +ATOM 739 C LEU A 90 -0.641 -3.078 9.871 1.00 0.00 C +ATOM 740 CB LEU A 90 1.103 -1.567 10.839 1.00 0.00 C +ATOM 741 O LEU A 90 -0.332 -3.731 8.872 1.00 0.00 O +ATOM 742 CG LEU A 90 1.845 -0.230 10.836 1.00 0.00 C +ATOM 743 CD1 LEU A 90 2.950 -0.234 11.888 1.00 0.00 C +ATOM 744 CD2 LEU A 90 2.418 0.062 9.453 1.00 0.00 C +ATOM 745 N VAL A 91 -1.341 -3.607 10.857 1.00 0.06 N +ATOM 746 CA VAL A 91 -1.975 -4.918 10.767 1.00 0.06 C +ATOM 747 C VAL A 91 -2.982 -4.927 9.619 1.00 0.06 C +ATOM 748 CB VAL A 91 -2.673 -5.302 12.091 1.00 0.06 C +ATOM 749 O VAL A 91 -3.000 -5.856 8.808 1.00 0.06 O +ATOM 750 CG1 VAL A 91 -3.613 -6.488 11.881 1.00 0.06 C +ATOM 751 CG2 VAL A 91 -1.637 -5.622 13.167 1.00 0.06 C +ATOM 752 N ASN A 92 -3.762 -3.868 9.448 1.00 0.00 N +ATOM 753 CA ASN A 92 -4.701 -3.720 8.342 1.00 0.00 C +ATOM 754 C ASN A 92 -3.984 -3.716 6.995 1.00 0.00 C +ATOM 755 CB ASN A 92 -5.528 -2.443 8.507 1.00 0.00 C +ATOM 756 O ASN A 92 -4.380 -4.432 6.073 1.00 0.00 O +ATOM 757 CG ASN A 92 -6.546 -2.259 7.398 1.00 0.00 C +ATOM 758 ND2 ASN A 92 -6.343 -1.241 6.570 1.00 0.00 N +ATOM 759 OD1 ASN A 92 -7.507 -3.024 7.287 1.00 0.00 O +ATOM 760 N LEU A 93 -2.918 -2.982 6.882 1.00 0.00 N +ATOM 761 CA LEU A 93 -2.076 -2.939 5.691 1.00 0.00 C +ATOM 762 C LEU A 93 -1.510 -4.320 5.375 1.00 0.00 C +ATOM 763 CB LEU A 93 -0.933 -1.938 5.878 1.00 0.00 C +ATOM 764 O LEU A 93 -1.646 -4.809 4.251 1.00 0.00 O +ATOM 765 CG LEU A 93 0.068 -1.828 4.727 1.00 0.00 C +ATOM 766 CD1 LEU A 93 -0.642 -1.402 3.446 1.00 0.00 C +ATOM 767 CD2 LEU A 93 1.182 -0.848 5.078 1.00 0.00 C +ATOM 768 N ALA A 94 -1.023 -5.043 6.368 1.00 0.07 N +ATOM 769 CA ALA A 94 -0.451 -6.378 6.212 1.00 0.07 C +ATOM 770 C ALA A 94 -1.515 -7.383 5.780 1.00 0.07 C +ATOM 771 CB ALA A 94 0.206 -6.831 7.514 1.00 0.07 C +ATOM 772 O ALA A 94 -1.254 -8.250 4.942 1.00 0.07 O +ATOM 773 N VAL A 95 -2.744 -7.285 6.273 1.00 0.13 N +ATOM 774 CA VAL A 95 -3.868 -8.139 5.901 1.00 0.13 C +ATOM 775 C VAL A 95 -4.281 -7.849 4.459 1.00 0.13 C +ATOM 776 CB VAL A 95 -5.071 -7.941 6.850 1.00 0.13 C +ATOM 777 O VAL A 95 -4.478 -8.773 3.666 1.00 0.13 O +ATOM 778 CG1 VAL A 95 -6.314 -8.635 6.298 1.00 0.13 C +ATOM 779 CG2 VAL A 95 -4.739 -8.463 8.247 1.00 0.13 C +ATOM 780 N ALA A 96 -4.337 -6.597 4.066 1.00 0.07 N +ATOM 781 CA ALA A 96 -4.654 -6.194 2.698 1.00 0.07 C +ATOM 782 C ALA A 96 -3.598 -6.697 1.719 1.00 0.07 C +ATOM 783 CB ALA A 96 -4.780 -4.675 2.607 1.00 0.07 C +ATOM 784 O ALA A 96 -3.928 -7.303 0.697 1.00 0.07 O +ATOM 785 N ASP A 97 -2.342 -6.589 2.048 1.00 2.60 N +ATOM 786 CA ASP A 97 -1.210 -7.011 1.228 1.00 2.60 C +ATOM 787 C ASP A 97 -1.185 -8.529 1.066 1.00 2.60 C +ATOM 788 CB ASP A 97 0.106 -6.525 1.839 1.00 2.60 C +ATOM 789 O ASP A 97 -0.972 -9.038 -0.036 1.00 2.60 O +ATOM 790 CG ASP A 97 0.334 -5.036 1.647 1.00 2.60 C +ATOM 791 OD1 ASP A 97 -0.373 -4.411 0.828 1.00 2.60 O +ATOM 792 OD2 ASP A 97 1.232 -4.484 2.320 1.00 2.60 O +ATOM 793 N ILE A 98 -1.427 -9.324 2.131 1.00 0.93 N +ATOM 794 CA ILE A 98 -1.496 -10.779 2.058 1.00 0.93 C +ATOM 795 C ILE A 98 -2.694 -11.197 1.208 1.00 0.93 C +ATOM 796 CB ILE A 98 -1.591 -11.412 3.465 1.00 0.93 C +ATOM 797 O ILE A 98 -2.573 -12.058 0.334 1.00 0.93 O +ATOM 798 CG1 ILE A 98 -0.249 -11.290 4.196 1.00 0.93 C +ATOM 799 CG2 ILE A 98 -2.032 -12.875 3.370 1.00 0.93 C +ATOM 800 CD1 ILE A 98 -0.317 -11.639 5.676 1.00 0.93 C +ATOM 801 N ALA A 99 -3.850 -10.556 1.416 1.00 0.95 N +ATOM 802 CA ALA A 99 -5.053 -10.870 0.650 1.00 0.95 C +ATOM 803 C ALA A 99 -4.858 -10.559 -0.831 1.00 0.95 C +ATOM 804 CB ALA A 99 -6.250 -10.098 1.200 1.00 0.95 C +ATOM 805 O ALA A 99 -5.127 -11.403 -1.689 1.00 0.95 O +ATOM 806 N GLU A 100 -4.317 -9.396 -1.158 1.00 7.97 N +ATOM 807 CA GLU A 100 -3.980 -8.994 -2.520 1.00 7.97 C +ATOM 808 C GLU A 100 -3.042 -10.003 -3.177 1.00 7.97 C +ATOM 809 CB GLU A 100 -3.345 -7.602 -2.530 1.00 7.97 C +ATOM 810 O GLU A 100 -3.339 -10.525 -4.254 1.00 7.97 O +ATOM 811 CG GLU A 100 -3.021 -7.083 -3.923 1.00 7.97 C +ATOM 812 CD GLU A 100 -2.294 -5.747 -3.912 1.00 7.97 C +ATOM 813 OE1 GLU A 100 -2.238 -5.096 -2.845 1.00 7.97 O +ATOM 814 OE2 GLU A 100 -1.778 -5.349 -4.980 1.00 7.97 O +ATOM 815 N THR A 101 -1.966 -10.334 -2.537 1.00 2.03 N +ATOM 816 CA THR A 101 -0.911 -11.171 -3.099 1.00 2.03 C +ATOM 817 C THR A 101 -1.395 -12.607 -3.275 1.00 2.03 C +ATOM 818 CB THR A 101 0.347 -11.155 -2.212 1.00 2.03 C +ATOM 819 O THR A 101 -1.163 -13.223 -4.317 1.00 2.03 O +ATOM 820 CG2 THR A 101 1.472 -11.972 -2.838 1.00 2.03 C +ATOM 821 OG1 THR A 101 0.790 -9.803 -2.044 1.00 2.03 O +ATOM 822 N LEU A 102 -2.103 -13.175 -2.321 1.00 0.03 N +ATOM 823 CA LEU A 102 -2.570 -14.555 -2.387 1.00 0.03 C +ATOM 824 C LEU A 102 -3.649 -14.714 -3.453 1.00 0.03 C +ATOM 825 CB LEU A 102 -3.109 -15.004 -1.027 1.00 0.03 C +ATOM 826 O LEU A 102 -3.577 -15.622 -4.284 1.00 0.03 O +ATOM 827 CG LEU A 102 -2.069 -15.262 0.064 1.00 0.03 C +ATOM 828 CD1 LEU A 102 -2.755 -15.644 1.372 1.00 0.03 C +ATOM 829 CD2 LEU A 102 -1.095 -16.351 -0.372 1.00 0.03 C +ATOM 830 N ILE A 103 -4.627 -13.821 -3.468 1.00 1.21 N +ATOM 831 CA ILE A 103 -5.731 -13.929 -4.416 1.00 1.21 C +ATOM 832 C ILE A 103 -5.228 -13.639 -5.828 1.00 1.21 C +ATOM 833 CB ILE A 103 -6.885 -12.970 -4.050 1.00 1.21 C +ATOM 834 O ILE A 103 -5.418 -14.448 -6.740 1.00 1.21 O +ATOM 835 CG1 ILE A 103 -7.541 -13.401 -2.732 1.00 1.21 C +ATOM 836 CG2 ILE A 103 -7.916 -12.910 -5.180 1.00 1.21 C +ATOM 837 CD1 ILE A 103 -8.479 -12.360 -2.138 1.00 1.21 C +ATOM 838 N ALA A 104 -4.500 -12.528 -6.063 1.00 1.48 N +ATOM 839 CA ALA A 104 -3.962 -12.150 -7.367 1.00 1.48 C +ATOM 840 C ALA A 104 -3.041 -13.237 -7.915 1.00 1.48 C +ATOM 841 CB ALA A 104 -3.214 -10.823 -7.270 1.00 1.48 C +ATOM 842 O ALA A 104 -3.136 -13.606 -9.088 1.00 1.48 O +ATOM 843 N SER A 105 -2.162 -13.781 -7.093 1.00 0.14 N +ATOM 844 CA SER A 105 -1.188 -14.770 -7.542 1.00 0.14 C +ATOM 845 C SER A 105 -1.849 -16.122 -7.794 1.00 0.14 C +ATOM 846 CB SER A 105 -0.068 -14.925 -6.514 1.00 0.14 C +ATOM 847 O SER A 105 -1.541 -16.796 -8.779 1.00 0.14 O +ATOM 848 OG SER A 105 0.573 -13.683 -6.277 1.00 0.14 O +ATOM 849 N THR A 106 -2.782 -16.569 -6.915 1.00 0.00 N +ATOM 850 CA THR A 106 -3.507 -17.820 -7.109 1.00 0.00 C +ATOM 851 C THR A 106 -4.281 -17.797 -8.424 1.00 0.00 C +ATOM 852 CB THR A 106 -4.477 -18.090 -5.944 1.00 0.00 C +ATOM 853 O THR A 106 -4.132 -18.697 -9.254 1.00 0.00 O +ATOM 854 CG2 THR A 106 -5.225 -19.404 -6.145 1.00 0.00 C +ATOM 855 OG1 THR A 106 -3.737 -18.157 -4.719 1.00 0.00 O +ATOM 856 N ILE A 107 -4.927 -16.740 -8.680 1.00 3.44 N +ATOM 857 CA ILE A 107 -5.748 -16.633 -9.881 1.00 3.44 C +ATOM 858 C ILE A 107 -4.852 -16.451 -11.104 1.00 3.44 C +ATOM 859 CB ILE A 107 -6.755 -15.466 -9.775 1.00 3.44 C +ATOM 860 O ILE A 107 -5.045 -17.113 -12.126 1.00 3.44 O +ATOM 861 CG1 ILE A 107 -7.802 -15.760 -8.694 1.00 3.44 C +ATOM 862 CG2 ILE A 107 -7.424 -15.205 -11.128 1.00 3.44 C +ATOM 863 CD1 ILE A 107 -8.709 -14.579 -8.374 1.00 3.44 C +ATOM 864 N SER A 108 -3.782 -15.651 -11.029 1.00 28.23 N +ATOM 865 CA SER A 108 -2.810 -15.479 -12.104 1.00 28.23 C +ATOM 866 C SER A 108 -2.150 -16.805 -12.469 1.00 28.23 C +ATOM 867 CB SER A 108 -1.741 -14.462 -11.703 1.00 28.23 C +ATOM 868 O SER A 108 -2.034 -17.142 -13.649 1.00 28.23 O +ATOM 869 OG SER A 108 -2.304 -13.169 -11.564 1.00 28.23 O +ATOM 870 N VAL A 109 -1.785 -17.629 -11.515 1.00 0.54 N +ATOM 871 CA VAL A 109 -1.171 -18.936 -11.724 1.00 0.54 C +ATOM 872 C VAL A 109 -2.193 -19.896 -12.330 1.00 0.54 C +ATOM 873 CB VAL A 109 -0.610 -19.517 -10.407 1.00 0.54 C +ATOM 874 O VAL A 109 -1.897 -20.593 -13.304 1.00 0.54 O +ATOM 875 CG1 VAL A 109 -0.239 -20.988 -10.581 1.00 0.54 C +ATOM 876 CG2 VAL A 109 0.600 -18.709 -9.941 1.00 0.54 C +ATOM 877 N VAL A 110 -3.367 -19.925 -11.809 1.00 0.29 N +ATOM 878 CA VAL A 110 -4.434 -20.771 -12.331 1.00 0.29 C +ATOM 879 C VAL A 110 -4.728 -20.397 -13.783 1.00 0.29 C +ATOM 880 CB VAL A 110 -5.719 -20.654 -11.481 1.00 0.29 C +ATOM 881 O VAL A 110 -4.773 -21.266 -14.657 1.00 0.29 O +ATOM 882 CG1 VAL A 110 -6.897 -21.323 -12.187 1.00 0.29 C +ATOM 883 CG2 VAL A 110 -5.501 -21.268 -10.099 1.00 0.29 C +ATOM 884 N ASN A 111 -4.836 -19.082 -14.094 1.00 0.22 N +ATOM 885 CA ASN A 111 -5.066 -18.573 -15.442 1.00 0.22 C +ATOM 886 C ASN A 111 -3.921 -18.940 -16.383 1.00 0.22 C +ATOM 887 CB ASN A 111 -5.266 -17.057 -15.417 1.00 0.22 C +ATOM 888 O ASN A 111 -4.152 -19.288 -17.542 1.00 0.22 O +ATOM 889 CG ASN A 111 -6.659 -16.659 -14.970 1.00 0.22 C +ATOM 890 ND2 ASN A 111 -6.804 -15.421 -14.511 1.00 0.22 N +ATOM 891 OD1 ASN A 111 -7.597 -17.458 -15.035 1.00 0.22 O +ATOM 892 N GLN A 112 -2.671 -18.988 -15.920 1.00 0.92 N +ATOM 893 CA GLN A 112 -1.497 -19.354 -16.705 1.00 0.92 C +ATOM 894 C GLN A 112 -1.468 -20.854 -16.986 1.00 0.92 C +ATOM 895 CB GLN A 112 -0.215 -18.931 -15.985 1.00 0.92 C +ATOM 896 O GLN A 112 -1.063 -21.281 -18.069 1.00 0.92 O +ATOM 897 CG GLN A 112 0.089 -17.443 -16.095 1.00 0.92 C +ATOM 898 CD GLN A 112 1.332 -17.039 -15.325 1.00 0.92 C +ATOM 899 NE2 GLN A 112 1.386 -15.780 -14.904 1.00 0.92 N +ATOM 900 OE1 GLN A 112 2.236 -17.853 -15.108 1.00 0.92 O +ATOM 901 N ILE A 113 -1.880 -21.750 -15.986 1.00 0.33 N +ATOM 902 CA ILE A 113 -1.822 -23.205 -16.078 1.00 0.33 C +ATOM 903 C ILE A 113 -2.960 -23.712 -16.961 1.00 0.33 C +ATOM 904 CB ILE A 113 -1.894 -23.862 -14.681 1.00 0.33 C +ATOM 905 O ILE A 113 -2.744 -24.542 -17.847 1.00 0.33 O +ATOM 906 CG1 ILE A 113 -0.597 -23.608 -13.904 1.00 0.33 C +ATOM 907 CG2 ILE A 113 -2.174 -25.363 -14.804 1.00 0.33 C +ATOM 908 CD1 ILE A 113 -0.675 -23.981 -12.430 1.00 0.33 C +ATOM 909 N TYR A 114 -4.113 -23.216 -16.766 1.00 2.18 N +ATOM 910 CA TYR A 114 -5.301 -23.817 -17.363 1.00 2.18 C +ATOM 911 C TYR A 114 -5.761 -23.022 -18.580 1.00 2.18 C +ATOM 912 CB TYR A 114 -6.434 -23.902 -16.337 1.00 2.18 C +ATOM 913 O TYR A 114 -6.640 -23.465 -19.323 1.00 2.18 O +ATOM 914 CG TYR A 114 -6.164 -24.873 -15.213 1.00 2.18 C +ATOM 915 CD1 TYR A 114 -6.178 -26.248 -15.436 1.00 2.18 C +ATOM 916 CD2 TYR A 114 -5.894 -24.418 -13.927 1.00 2.18 C +ATOM 917 CE1 TYR A 114 -5.931 -27.146 -14.403 1.00 2.18 C +ATOM 918 CE2 TYR A 114 -5.646 -25.307 -12.887 1.00 2.18 C +ATOM 919 OH TYR A 114 -5.421 -27.552 -12.108 1.00 2.18 O +ATOM 920 CZ TYR A 114 -5.666 -26.667 -13.134 1.00 2.18 C +ATOM 921 N GLY A 115 -4.967 -21.992 -18.874 1.00 0.00 N +ATOM 922 CA GLY A 115 -5.522 -21.040 -19.824 1.00 0.00 C +ATOM 923 C GLY A 115 -6.804 -20.390 -19.338 1.00 0.00 C +ATOM 924 O GLY A 115 -7.497 -20.939 -18.479 1.00 0.00 O +ATOM 925 N TYR A 116 -7.140 -19.158 -19.655 1.00 0.00 N +ATOM 926 CA TYR A 116 -8.206 -18.275 -19.194 1.00 0.00 C +ATOM 927 C TYR A 116 -9.560 -18.972 -19.264 1.00 0.00 C +ATOM 928 CB TYR A 116 -8.237 -16.989 -20.026 1.00 0.00 C +ATOM 929 O TYR A 116 -10.461 -18.671 -18.478 1.00 0.00 O +ATOM 930 CG TYR A 116 -7.366 -15.888 -19.474 1.00 0.00 C +ATOM 931 CD1 TYR A 116 -7.825 -15.053 -18.458 1.00 0.00 C +ATOM 932 CD2 TYR A 116 -6.082 -15.678 -19.967 1.00 0.00 C +ATOM 933 CE1 TYR A 116 -7.027 -14.035 -17.947 1.00 0.00 C +ATOM 934 CE2 TYR A 116 -5.275 -14.664 -19.464 1.00 0.00 C +ATOM 935 OH TYR A 116 -4.960 -12.843 -17.953 1.00 0.00 O +ATOM 936 CZ TYR A 116 -5.755 -13.849 -18.455 1.00 0.00 C +ATOM 937 N PHE A 117 -9.688 -19.789 -20.167 1.00 0.26 N +ATOM 938 CA PHE A 117 -10.986 -20.302 -20.589 1.00 0.26 C +ATOM 939 C PHE A 117 -11.661 -21.066 -19.455 1.00 0.26 C +ATOM 940 CB PHE A 117 -10.836 -21.207 -21.816 1.00 0.26 C +ATOM 941 O PHE A 117 -12.889 -21.156 -19.405 1.00 0.26 O +ATOM 942 CG PHE A 117 -10.743 -20.455 -23.116 1.00 0.26 C +ATOM 943 CD1 PHE A 117 -11.888 -19.983 -23.746 1.00 0.26 C +ATOM 944 CD2 PHE A 117 -9.509 -20.221 -23.709 1.00 0.26 C +ATOM 945 CE1 PHE A 117 -11.804 -19.287 -24.950 1.00 0.26 C +ATOM 946 CE2 PHE A 117 -9.417 -19.526 -24.912 1.00 0.26 C +ATOM 947 CZ PHE A 117 -10.566 -19.061 -25.531 1.00 0.26 C +ATOM 948 N ILE A 118 -10.895 -21.566 -18.470 1.00 1.53 N +ATOM 949 CA ILE A 118 -11.544 -22.515 -17.573 1.00 1.53 C +ATOM 950 C ILE A 118 -12.245 -21.763 -16.443 1.00 1.53 C +ATOM 951 CB ILE A 118 -10.532 -23.529 -16.994 1.00 1.53 C +ATOM 952 O ILE A 118 -13.350 -22.129 -16.037 1.00 1.53 O +ATOM 953 CG1 ILE A 118 -9.964 -24.413 -18.110 1.00 1.53 C +ATOM 954 CG2 ILE A 118 -11.185 -24.380 -15.901 1.00 1.53 C +ATOM 955 CD1 ILE A 118 -8.880 -25.376 -17.646 1.00 1.53 C +ATOM 956 N LEU A 119 -11.664 -20.687 -15.961 1.00 0.00 N +ATOM 957 CA LEU A 119 -12.290 -20.134 -14.764 1.00 0.00 C +ATOM 958 C LEU A 119 -13.266 -19.020 -15.127 1.00 0.00 C +ATOM 959 CB LEU A 119 -11.226 -19.602 -13.800 1.00 0.00 C +ATOM 960 O LEU A 119 -14.098 -18.626 -14.307 1.00 0.00 O +ATOM 961 CG LEU A 119 -10.359 -20.651 -13.102 1.00 0.00 C +ATOM 962 CD1 LEU A 119 -9.219 -19.977 -12.345 1.00 0.00 C +ATOM 963 CD2 LEU A 119 -11.203 -21.503 -12.161 1.00 0.00 C +ATOM 964 N GLY A 120 -13.306 -18.589 -16.406 1.00 0.00 N +ATOM 965 CA GLY A 120 -14.291 -17.701 -17.004 1.00 0.00 C +ATOM 966 C GLY A 120 -14.257 -16.298 -16.427 1.00 0.00 C +ATOM 967 O GLY A 120 -13.470 -16.012 -15.522 1.00 0.00 O +ATOM 968 N HIS A 121 -15.135 -15.380 -16.845 1.00 0.03 N +ATOM 969 CA HIS A 121 -15.293 -13.951 -16.601 1.00 0.03 C +ATOM 970 C HIS A 121 -15.529 -13.667 -15.122 1.00 0.03 C +ATOM 971 CB HIS A 121 -16.446 -13.389 -17.434 1.00 0.03 C +ATOM 972 O HIS A 121 -14.967 -12.718 -14.570 1.00 0.03 O +ATOM 973 CG HIS A 121 -16.599 -11.905 -17.323 1.00 0.03 C +ATOM 974 CD2 HIS A 121 -16.079 -10.900 -18.067 1.00 0.03 C +ATOM 975 ND1 HIS A 121 -17.365 -11.307 -16.347 1.00 0.03 N +ATOM 976 CE1 HIS A 121 -17.311 -9.994 -16.496 1.00 0.03 C +ATOM 977 NE2 HIS A 121 -16.537 -9.721 -17.532 1.00 0.03 N +ATOM 978 N PRO A 122 -16.152 -14.604 -14.271 1.00 0.74 N +ATOM 979 CA PRO A 122 -16.450 -14.270 -12.876 1.00 0.74 C +ATOM 980 C PRO A 122 -15.204 -14.251 -11.994 1.00 0.74 C +ATOM 981 CB PRO A 122 -17.409 -15.383 -12.444 1.00 0.74 C +ATOM 982 O PRO A 122 -15.051 -13.361 -11.154 1.00 0.74 O +ATOM 983 CG PRO A 122 -18.098 -15.802 -13.702 1.00 0.74 C +ATOM 984 CD PRO A 122 -17.112 -15.733 -14.833 1.00 0.74 C +ATOM 985 N LEU A 123 -14.227 -15.120 -12.122 1.00 0.45 N +ATOM 986 CA LEU A 123 -13.019 -15.140 -11.305 1.00 0.45 C +ATOM 987 C LEU A 123 -12.104 -13.972 -11.660 1.00 0.45 C +ATOM 988 CB LEU A 123 -12.270 -16.463 -11.487 1.00 0.45 C +ATOM 989 O LEU A 123 -11.434 -13.416 -10.787 1.00 0.45 O +ATOM 990 CG LEU A 123 -12.906 -17.696 -10.842 1.00 0.45 C +ATOM 991 CD1 LEU A 123 -12.072 -18.938 -11.137 1.00 0.45 C +ATOM 992 CD2 LEU A 123 -13.061 -17.493 -9.339 1.00 0.45 C +ATOM 993 N CYS A 124 -12.182 -13.559 -12.909 1.00 0.00 N +ATOM 994 CA CYS A 124 -11.454 -12.370 -13.338 1.00 0.00 C +ATOM 995 C CYS A 124 -12.016 -11.118 -12.675 1.00 0.00 C +ATOM 996 CB CYS A 124 -11.513 -12.223 -14.858 1.00 0.00 C +ATOM 997 O CYS A 124 -11.260 -10.255 -12.225 1.00 0.00 O +ATOM 998 SG CYS A 124 -10.475 -10.893 -15.502 1.00 0.00 S +ATOM 999 N ILE A 125 -13.270 -11.072 -12.595 1.00 0.06 N +ATOM 1000 CA ILE A 125 -13.944 -9.981 -11.900 1.00 0.06 C +ATOM 1001 C ILE A 125 -13.594 -10.022 -10.414 1.00 0.06 C +ATOM 1002 CB ILE A 125 -15.476 -10.050 -12.092 1.00 0.06 C +ATOM 1003 O ILE A 125 -13.226 -9.001 -9.829 1.00 0.06 O +ATOM 1004 CG1 ILE A 125 -15.844 -9.766 -13.553 1.00 0.06 C +ATOM 1005 CG2 ILE A 125 -16.182 -9.072 -11.149 1.00 0.06 C +ATOM 1006 CD1 ILE A 125 -17.308 -10.024 -13.883 1.00 0.06 C +ATOM 1007 N ILE A 126 -13.630 -11.196 -9.841 1.00 0.22 N +ATOM 1008 CA ILE A 126 -13.318 -11.372 -8.427 1.00 0.22 C +ATOM 1009 C ILE A 126 -11.856 -11.011 -8.172 1.00 0.22 C +ATOM 1010 CB ILE A 126 -13.603 -12.817 -7.960 1.00 0.22 C +ATOM 1011 O ILE A 126 -11.545 -10.285 -7.225 1.00 0.22 O +ATOM 1012 CG1 ILE A 126 -15.113 -13.078 -7.922 1.00 0.22 C +ATOM 1013 CG2 ILE A 126 -12.966 -13.078 -6.592 1.00 0.22 C +ATOM 1014 CD1 ILE A 126 -15.484 -14.550 -7.807 1.00 0.22 C +ATOM 1015 N GLU A 127 -10.909 -11.410 -9.008 1.00 0.63 N +ATOM 1016 CA GLU A 127 -9.500 -11.040 -8.915 1.00 0.63 C +ATOM 1017 C GLU A 127 -9.320 -9.527 -9.011 1.00 0.63 C +ATOM 1018 CB GLU A 127 -8.688 -11.737 -10.009 1.00 0.63 C +ATOM 1019 O GLU A 127 -8.793 -8.900 -8.090 1.00 0.63 O +ATOM 1020 CG GLU A 127 -7.193 -11.460 -9.936 1.00 0.63 C +ATOM 1021 CD GLU A 127 -6.429 -11.969 -11.148 1.00 0.63 C +ATOM 1022 OE1 GLU A 127 -7.053 -12.573 -12.050 1.00 0.63 O +ATOM 1023 OE2 GLU A 127 -5.196 -11.763 -11.196 1.00 0.63 O +ATOM 1024 N GLY A 128 -9.786 -8.952 -10.114 1.00 0.99 N +ATOM 1025 CA GLY A 128 -9.641 -7.524 -10.344 1.00 0.99 C +ATOM 1026 C GLY A 128 -10.230 -6.677 -9.231 1.00 0.99 C +ATOM 1027 O GLY A 128 -9.591 -5.737 -8.755 1.00 0.99 O +ATOM 1028 N TYR A 129 -11.372 -7.090 -8.786 1.00 2.47 N +ATOM 1029 CA TYR A 129 -12.032 -6.424 -7.668 1.00 2.47 C +ATOM 1030 C TYR A 129 -11.208 -6.551 -6.393 1.00 2.47 C +ATOM 1031 CB TYR A 129 -13.432 -7.006 -7.446 1.00 2.47 C +ATOM 1032 O TYR A 129 -10.935 -5.554 -5.720 1.00 2.47 O +ATOM 1033 CG TYR A 129 -14.176 -6.372 -6.296 1.00 2.47 C +ATOM 1034 CD1 TYR A 129 -14.938 -5.221 -6.484 1.00 2.47 C +ATOM 1035 CD2 TYR A 129 -14.119 -6.922 -5.020 1.00 2.47 C +ATOM 1036 CE1 TYR A 129 -15.625 -4.633 -5.427 1.00 2.47 C +ATOM 1037 CE2 TYR A 129 -14.802 -6.342 -3.956 1.00 2.47 C +ATOM 1038 OH TYR A 129 -16.229 -4.621 -3.119 1.00 2.47 O +ATOM 1039 CZ TYR A 129 -15.551 -5.200 -4.169 1.00 2.47 C +ATOM 1040 N THR A 130 -10.799 -7.704 -6.022 1.00 5.01 N +ATOM 1041 CA THR A 130 -10.076 -7.945 -4.779 1.00 5.01 C +ATOM 1042 C THR A 130 -8.712 -7.261 -4.806 1.00 5.01 C +ATOM 1043 CB THR A 130 -9.893 -9.452 -4.521 1.00 5.01 C +ATOM 1044 O THR A 130 -8.335 -6.578 -3.851 1.00 5.01 O +ATOM 1045 CG2 THR A 130 -9.215 -9.702 -3.179 1.00 5.01 C +ATOM 1046 OG1 THR A 130 -11.176 -10.090 -4.522 1.00 5.01 O +ATOM 1047 N VAL A 131 -7.983 -7.290 -5.903 1.00 0.96 N +ATOM 1048 CA VAL A 131 -6.679 -6.657 -6.074 1.00 0.96 C +ATOM 1049 C VAL A 131 -6.824 -5.140 -5.977 1.00 0.96 C +ATOM 1050 CB VAL A 131 -6.031 -7.046 -7.422 1.00 0.96 C +ATOM 1051 O VAL A 131 -6.083 -4.486 -5.240 1.00 0.96 O +ATOM 1052 CG1 VAL A 131 -4.804 -6.181 -7.701 1.00 0.96 C +ATOM 1053 CG2 VAL A 131 -5.657 -8.527 -7.425 1.00 0.96 C +ATOM 1054 N ALA A 132 -7.821 -4.600 -6.611 1.00 4.27 N +ATOM 1055 CA ALA A 132 -8.059 -3.160 -6.570 1.00 4.27 C +ATOM 1056 C ALA A 132 -8.492 -2.715 -5.176 1.00 4.27 C +ATOM 1057 CB ALA A 132 -9.113 -2.766 -7.602 1.00 4.27 C +ATOM 1058 O ALA A 132 -7.938 -1.763 -4.622 1.00 4.27 O +ATOM 1059 N ALA A 133 -9.424 -3.453 -4.563 1.00 0.05 N +ATOM 1060 CA ALA A 133 -9.935 -3.110 -3.238 1.00 0.05 C +ATOM 1061 C ALA A 133 -8.830 -3.187 -2.188 1.00 0.05 C +ATOM 1062 CB ALA A 133 -11.091 -4.033 -2.858 1.00 0.05 C +ATOM 1063 O ALA A 133 -8.648 -2.255 -1.400 1.00 0.05 O +ATOM 1064 N CYS A 134 -8.016 -4.235 -2.188 1.00 0.93 N +ATOM 1065 CA CYS A 134 -6.904 -4.417 -1.262 1.00 0.93 C +ATOM 1066 C CYS A 134 -5.807 -3.390 -1.518 1.00 0.93 C +ATOM 1067 CB CYS A 134 -6.331 -5.829 -1.383 1.00 0.93 C +ATOM 1068 O CYS A 134 -5.300 -2.771 -0.581 1.00 0.93 O +ATOM 1069 SG CYS A 134 -7.441 -7.119 -0.780 1.00 0.93 S +ATOM 1070 N GLY A 135 -5.458 -3.109 -2.799 1.00 0.00 N +ATOM 1071 CA GLY A 135 -4.489 -2.086 -3.158 1.00 0.00 C +ATOM 1072 C GLY A 135 -4.905 -0.693 -2.725 1.00 0.00 C +ATOM 1073 O GLY A 135 -4.112 0.041 -2.132 1.00 0.00 O +ATOM 1074 N ILE A 136 -6.169 -0.328 -2.898 1.00 4.39 N +ATOM 1075 CA ILE A 136 -6.730 0.948 -2.468 1.00 4.39 C +ATOM 1076 C ILE A 136 -6.764 1.009 -0.943 1.00 4.39 C +ATOM 1077 CB ILE A 136 -8.146 1.166 -3.046 1.00 4.39 C +ATOM 1078 O ILE A 136 -6.362 2.011 -0.346 1.00 4.39 O +ATOM 1079 CG1 ILE A 136 -8.078 1.376 -4.563 1.00 4.39 C +ATOM 1080 CG2 ILE A 136 -8.833 2.350 -2.359 1.00 4.39 C +ATOM 1081 CD1 ILE A 136 -9.432 1.321 -5.256 1.00 4.39 C +ATOM 1082 N ALA A 137 -7.164 -0.073 -0.292 1.00 0.00 N +ATOM 1083 CA ALA A 137 -7.167 -0.147 1.167 1.00 0.00 C +ATOM 1084 C ALA A 137 -5.756 0.006 1.726 1.00 0.00 C +ATOM 1085 CB ALA A 137 -7.781 -1.465 1.632 1.00 0.00 C +ATOM 1086 O ALA A 137 -5.541 0.740 2.694 1.00 0.00 O +ATOM 1087 N GLY A 138 -4.782 -0.616 1.126 1.00 0.11 N +ATOM 1088 CA GLY A 138 -3.381 -0.453 1.482 1.00 0.11 C +ATOM 1089 C GLY A 138 -2.892 0.976 1.343 1.00 0.11 C +ATOM 1090 O GLY A 138 -2.303 1.529 2.273 1.00 0.11 O +ATOM 1091 N LEU A 139 -3.271 1.626 0.285 1.00 0.00 N +ATOM 1092 CA LEU A 139 -2.846 2.995 0.013 1.00 0.00 C +ATOM 1093 C LEU A 139 -3.480 3.968 1.002 1.00 0.00 C +ATOM 1094 CB LEU A 139 -3.211 3.395 -1.419 1.00 0.00 C +ATOM 1095 O LEU A 139 -2.794 4.827 1.560 1.00 0.00 O +ATOM 1096 CG LEU A 139 -2.799 4.802 -1.856 1.00 0.00 C +ATOM 1097 CD1 LEU A 139 -1.294 4.988 -1.691 1.00 0.00 C +ATOM 1098 CD2 LEU A 139 -3.219 5.059 -3.299 1.00 0.00 C +ATOM 1099 N TRP A 140 -4.685 3.813 1.244 1.00 0.00 N +ATOM 1100 CA TRP A 140 -5.381 4.671 2.197 1.00 0.00 C +ATOM 1101 C TRP A 140 -4.945 4.363 3.626 1.00 0.00 C +ATOM 1102 CB TRP A 140 -6.898 4.502 2.066 1.00 0.00 C +ATOM 1103 O TRP A 140 -4.912 5.255 4.477 1.00 0.00 O +ATOM 1104 CG TRP A 140 -7.513 5.344 0.989 1.00 0.00 C +ATOM 1105 CD1 TRP A 140 -7.903 4.934 -0.256 1.00 0.00 C +ATOM 1106 CD2 TRP A 140 -7.804 6.743 1.061 1.00 0.00 C +ATOM 1107 CE2 TRP A 140 -8.372 7.116 -0.178 1.00 0.00 C +ATOM 1108 CE3 TRP A 140 -7.642 7.718 2.054 1.00 0.00 C +ATOM 1109 NE1 TRP A 140 -8.421 5.995 -0.962 1.00 0.00 N +ATOM 1110 CH2 TRP A 140 -8.607 9.359 0.539 1.00 0.00 C +ATOM 1111 CZ2 TRP A 140 -8.777 8.425 -0.450 1.00 0.00 C +ATOM 1112 CZ3 TRP A 140 -8.046 9.020 1.781 1.00 0.00 C +ATOM 1113 N SER A 141 -4.488 3.139 3.958 1.00 0.00 N +ATOM 1114 CA SER A 141 -3.846 2.821 5.230 1.00 0.00 C +ATOM 1115 C SER A 141 -2.557 3.616 5.413 1.00 0.00 C +ATOM 1116 CB SER A 141 -3.548 1.324 5.321 1.00 0.00 C +ATOM 1117 O SER A 141 -2.334 4.212 6.468 1.00 0.00 O +ATOM 1118 OG SER A 141 -4.749 0.571 5.311 1.00 0.00 O +ATOM 1119 N LEU A 142 -1.773 3.751 4.405 1.00 0.00 N +ATOM 1120 CA LEU A 142 -0.560 4.560 4.436 1.00 0.00 C +ATOM 1121 C LEU A 142 -0.896 6.037 4.611 1.00 0.00 C +ATOM 1122 CB LEU A 142 0.252 4.359 3.154 1.00 0.00 C +ATOM 1123 O LEU A 142 -0.184 6.762 5.310 1.00 0.00 O +ATOM 1124 CG LEU A 142 0.901 2.986 2.971 1.00 0.00 C +ATOM 1125 CD1 LEU A 142 1.514 2.871 1.579 1.00 0.00 C +ATOM 1126 CD2 LEU A 142 1.954 2.744 4.046 1.00 0.00 C +ATOM 1127 N THR A 143 -1.985 6.524 4.029 1.00 0.00 N +ATOM 1128 CA THR A 143 -2.484 7.884 4.200 1.00 0.00 C +ATOM 1129 C THR A 143 -2.874 8.138 5.654 1.00 0.00 C +ATOM 1130 CB THR A 143 -3.694 8.154 3.287 1.00 0.00 C +ATOM 1131 O THR A 143 -2.479 9.148 6.240 1.00 0.00 O +ATOM 1132 CG2 THR A 143 -4.148 9.606 3.391 1.00 0.00 C +ATOM 1133 OG1 THR A 143 -3.332 7.874 1.929 1.00 0.00 O +ATOM 1134 N VAL A 144 -3.539 7.199 6.304 1.00 0.08 N +ATOM 1135 CA VAL A 144 -3.953 7.299 7.700 1.00 0.08 C +ATOM 1136 C VAL A 144 -2.724 7.274 8.606 1.00 0.08 C +ATOM 1137 CB VAL A 144 -4.924 6.161 8.087 1.00 0.08 C +ATOM 1138 O VAL A 144 -2.639 8.040 9.569 1.00 0.08 O +ATOM 1139 CG1 VAL A 144 -5.260 6.222 9.577 1.00 0.08 C +ATOM 1140 CG2 VAL A 144 -6.197 6.237 7.246 1.00 0.08 C +ATOM 1141 N ILE A 145 -1.696 6.463 8.290 1.00 0.00 N +ATOM 1142 CA ILE A 145 -0.423 6.437 9.002 1.00 0.00 C +ATOM 1143 C ILE A 145 0.259 7.799 8.888 1.00 0.00 C +ATOM 1144 CB ILE A 145 0.505 5.326 8.462 1.00 0.00 C +ATOM 1145 O ILE A 145 0.725 8.352 9.887 1.00 0.00 O +ATOM 1146 CG1 ILE A 145 -0.032 3.945 8.855 1.00 0.00 C +ATOM 1147 CG2 ILE A 145 1.936 5.523 8.971 1.00 0.00 C +ATOM 1148 CD1 ILE A 145 0.597 2.794 8.082 1.00 0.00 C +ATOM 1149 N SER A 146 0.290 8.387 7.722 1.00 0.00 N +ATOM 1150 CA SER A 146 0.904 9.686 7.466 1.00 0.00 C +ATOM 1151 C SER A 146 0.170 10.800 8.205 1.00 0.00 C +ATOM 1152 CB SER A 146 0.924 9.984 5.967 1.00 0.00 C +ATOM 1153 O SER A 146 0.799 11.677 8.801 1.00 0.00 O +ATOM 1154 OG SER A 146 1.625 8.974 5.262 1.00 0.00 O +ATOM 1155 N TRP A 147 -1.150 10.742 8.234 1.00 0.00 N +ATOM 1156 CA TRP A 147 -2.015 11.675 8.948 1.00 0.00 C +ATOM 1157 C TRP A 147 -1.807 11.565 10.455 1.00 0.00 C +ATOM 1158 CB TRP A 147 -3.484 11.418 8.603 1.00 0.00 C +ATOM 1159 O TRP A 147 -1.659 12.578 11.143 1.00 0.00 O +ATOM 1160 CG TRP A 147 -4.438 12.377 9.250 1.00 0.00 C +ATOM 1161 CD1 TRP A 147 -5.173 12.169 10.384 1.00 0.00 C +ATOM 1162 CD2 TRP A 147 -4.764 13.694 8.796 1.00 0.00 C +ATOM 1163 CE2 TRP A 147 -5.704 14.229 9.706 1.00 0.00 C +ATOM 1164 CE3 TRP A 147 -4.351 14.476 7.709 1.00 0.00 C +ATOM 1165 NE1 TRP A 147 -5.936 13.279 10.664 1.00 0.00 N +ATOM 1166 CH2 TRP A 147 -5.817 16.255 8.487 1.00 0.00 C +ATOM 1167 CZ2 TRP A 147 -6.238 15.512 9.559 1.00 0.00 C +ATOM 1168 CZ3 TRP A 147 -4.884 15.752 7.566 1.00 0.00 C +ATOM 1169 N GLU A 148 -1.693 10.399 11.034 1.00 0.00 N +ATOM 1170 CA GLU A 148 -1.346 10.168 12.433 1.00 0.00 C +ATOM 1171 C GLU A 148 0.003 10.794 12.778 1.00 0.00 C +ATOM 1172 CB GLU A 148 -1.324 8.669 12.742 1.00 0.00 C +ATOM 1173 O GLU A 148 0.109 11.567 13.732 1.00 0.00 O +ATOM 1174 CG GLU A 148 -1.024 8.345 14.198 1.00 0.00 C +ATOM 1175 CD GLU A 148 0.464 8.285 14.505 1.00 0.00 C +ATOM 1176 OE1 GLU A 148 1.270 8.087 13.567 1.00 0.00 O +ATOM 1177 OE2 GLU A 148 0.827 8.436 15.693 1.00 0.00 O +ATOM 1178 N ARG A 149 1.063 10.541 11.993 1.00 0.00 N +ATOM 1179 CA ARG A 149 2.392 11.105 12.201 1.00 0.00 C +ATOM 1180 C ARG A 149 2.350 12.629 12.182 1.00 0.00 C +ATOM 1181 CB ARG A 149 3.366 10.594 11.137 1.00 0.00 C +ATOM 1182 O ARG A 149 2.947 13.283 13.040 1.00 0.00 O +ATOM 1183 CG ARG A 149 3.725 9.124 11.284 1.00 0.00 C +ATOM 1184 CD ARG A 149 4.438 8.847 12.600 1.00 0.00 C +ATOM 1185 NE ARG A 149 4.679 7.420 12.793 1.00 0.00 N +ATOM 1186 NH1 ARG A 149 5.396 7.625 14.979 1.00 0.00 N +ATOM 1187 NH2 ARG A 149 5.312 5.561 13.984 1.00 0.00 N +ATOM 1188 CZ ARG A 149 5.128 6.872 13.918 1.00 0.00 C +ATOM 1189 N TRP A 150 1.603 13.183 11.253 1.00 0.00 N +ATOM 1190 CA TRP A 150 1.438 14.629 11.148 1.00 0.00 C +ATOM 1191 C TRP A 150 0.768 15.192 12.397 1.00 0.00 C +ATOM 1192 CB TRP A 150 0.616 14.988 9.907 1.00 0.00 C +ATOM 1193 O TRP A 150 1.243 16.174 12.974 1.00 0.00 O +ATOM 1194 CG TRP A 150 0.238 16.436 9.825 1.00 0.00 C +ATOM 1195 CD1 TRP A 150 1.072 17.493 9.589 1.00 0.00 C +ATOM 1196 CD2 TRP A 150 -1.073 16.987 9.983 1.00 0.00 C +ATOM 1197 CE2 TRP A 150 -0.960 18.387 9.830 1.00 0.00 C +ATOM 1198 CE3 TRP A 150 -2.334 16.433 10.239 1.00 0.00 C +ATOM 1199 NE1 TRP A 150 0.358 18.669 9.591 1.00 0.00 N +ATOM 1200 CH2 TRP A 150 -3.284 18.672 10.176 1.00 0.00 C +ATOM 1201 CZ2 TRP A 150 -2.062 19.240 9.925 1.00 0.00 C +ATOM 1202 CZ3 TRP A 150 -3.430 17.284 10.333 1.00 0.00 C +ATOM 1203 N ILE A 151 -0.281 14.618 12.941 1.00 0.00 N +ATOM 1204 CA ILE A 151 -0.983 15.038 14.149 1.00 0.00 C +ATOM 1205 C ILE A 151 -0.043 14.952 15.349 1.00 0.00 C +ATOM 1206 CB ILE A 151 -2.245 14.181 14.395 1.00 0.00 C +ATOM 1207 O ILE A 151 0.088 15.912 16.113 1.00 0.00 O +ATOM 1208 CG1 ILE A 151 -3.327 14.514 13.361 1.00 0.00 C +ATOM 1209 CG2 ILE A 151 -2.768 14.387 15.820 1.00 0.00 C +ATOM 1210 CD1 ILE A 151 -4.495 13.538 13.351 1.00 0.00 C +ATOM 1211 N VAL A 152 0.698 13.884 15.523 1.00 0.00 N +ATOM 1212 CA VAL A 152 1.548 13.607 16.675 1.00 0.00 C +ATOM 1213 C VAL A 152 2.741 14.560 16.679 1.00 0.00 C +ATOM 1214 CB VAL A 152 2.037 12.141 16.680 1.00 0.00 C +ATOM 1215 O VAL A 152 3.120 15.087 17.727 1.00 0.00 O +ATOM 1216 CG1 VAL A 152 3.134 11.941 17.725 1.00 0.00 C +ATOM 1217 CG2 VAL A 152 0.870 11.191 16.938 1.00 0.00 C +ATOM 1218 N VAL A 153 3.325 14.884 15.542 1.00 0.00 N +ATOM 1219 CA VAL A 153 4.564 15.649 15.447 1.00 0.00 C +ATOM 1220 C VAL A 153 4.244 17.138 15.336 1.00 0.00 C +ATOM 1221 CB VAL A 153 5.419 15.197 14.242 1.00 0.00 C +ATOM 1222 O VAL A 153 4.888 17.967 15.984 1.00 0.00 O +ATOM 1223 CG1 VAL A 153 6.623 16.119 14.059 1.00 0.00 C +ATOM 1224 CG2 VAL A 153 5.873 13.750 14.424 1.00 0.00 C +ATOM 1225 N CYS A 154 3.292 17.571 14.472 1.00 0.00 N +ATOM 1226 CA CYS A 154 3.046 18.969 14.137 1.00 0.00 C +ATOM 1227 C CYS A 154 2.107 19.615 15.149 1.00 0.00 C +ATOM 1228 CB CYS A 154 2.457 19.088 12.732 1.00 0.00 C +ATOM 1229 O CYS A 154 2.069 20.841 15.273 1.00 0.00 O +ATOM 1230 SG CYS A 154 3.583 18.557 11.423 1.00 0.00 S +ATOM 1231 N LYS A 155 1.322 18.902 15.727 1.00 0.00 N +ATOM 1232 CA LYS A 155 0.368 19.504 16.654 1.00 0.00 C +ATOM 1233 C LYS A 155 0.687 19.121 18.096 1.00 0.00 C +ATOM 1234 CB LYS A 155 -1.060 19.084 16.303 1.00 0.00 C +ATOM 1235 O LYS A 155 -0.184 18.636 18.822 1.00 0.00 O +ATOM 1236 CG LYS A 155 -1.586 19.694 15.013 1.00 0.00 C +ATOM 1237 CD LYS A 155 -3.095 19.524 14.888 1.00 0.00 C +ATOM 1238 CE LYS A 155 -3.632 20.193 13.630 1.00 0.00 C +ATOM 1239 NZ LYS A 155 -5.106 20.003 13.487 1.00 0.00 N +ATOM 1240 N PRO A 156 2.043 19.371 18.395 1.00 0.00 N +ATOM 1241 CA PRO A 156 2.412 18.998 19.763 1.00 0.00 C +ATOM 1242 C PRO A 156 1.671 19.816 20.818 1.00 0.00 C +ATOM 1243 CB PRO A 156 3.916 19.278 19.812 1.00 0.00 C +ATOM 1244 O PRO A 156 1.580 19.400 21.976 1.00 0.00 O +ATOM 1245 CG PRO A 156 4.149 20.301 18.747 1.00 0.00 C +ATOM 1246 CD PRO A 156 3.147 20.084 17.650 1.00 0.00 C +ATOM 1247 N PHE A 157 1.038 20.928 20.299 1.00 0.00 N +ATOM 1248 CA PHE A 157 0.376 21.793 21.268 1.00 0.00 C +ATOM 1249 C PHE A 157 -1.103 21.442 21.385 1.00 0.00 C +ATOM 1250 CB PHE A 157 0.536 23.265 20.874 1.00 0.00 C +ATOM 1251 O PHE A 157 -1.805 21.971 22.250 1.00 0.00 O +ATOM 1252 CG PHE A 157 1.962 23.747 20.896 1.00 0.00 C +ATOM 1253 CD1 PHE A 157 2.623 23.950 22.102 1.00 0.00 C +ATOM 1254 CD2 PHE A 157 2.641 23.997 19.711 1.00 0.00 C +ATOM 1255 CE1 PHE A 157 3.942 24.396 22.125 1.00 0.00 C +ATOM 1256 CE2 PHE A 157 3.959 24.443 19.727 1.00 0.00 C +ATOM 1257 CZ PHE A 157 4.608 24.643 20.935 1.00 0.00 C +ATOM 1258 N GLY A 158 -1.506 20.397 20.780 1.00 0.00 N +ATOM 1259 CA GLY A 158 -2.861 19.879 20.872 1.00 0.00 C +ATOM 1260 C GLY A 158 -2.943 18.544 21.589 1.00 0.00 C +ATOM 1261 O GLY A 158 -2.181 17.624 21.286 1.00 0.00 O +ATOM 1262 N ASN A 159 -3.644 18.472 22.792 1.00 0.00 N +ATOM 1263 CA ASN A 159 -4.068 17.275 23.510 1.00 0.00 C +ATOM 1264 C ASN A 159 -4.680 16.242 22.567 1.00 0.00 C +ATOM 1265 CB ASN A 159 -5.061 17.636 24.617 1.00 0.00 C +ATOM 1266 O ASN A 159 -5.422 15.360 23.003 1.00 0.00 O +ATOM 1267 CG ASN A 159 -4.400 18.339 25.787 1.00 0.00 C +ATOM 1268 ND2 ASN A 159 -5.179 19.116 26.529 1.00 0.00 N +ATOM 1269 OD1 ASN A 159 -3.199 18.184 26.021 1.00 0.00 O +ATOM 1270 N VAL A 160 -4.560 16.395 21.225 1.00 0.00 N +ATOM 1271 CA VAL A 160 -5.146 15.389 20.345 1.00 0.00 C +ATOM 1272 C VAL A 160 -4.287 14.127 20.358 1.00 0.00 C +ATOM 1273 CB VAL A 160 -5.297 15.917 18.901 1.00 0.00 C +ATOM 1274 O VAL A 160 -3.257 14.063 19.683 1.00 0.00 O +ATOM 1275 CG1 VAL A 160 -5.990 14.882 18.017 1.00 0.00 C +ATOM 1276 CG2 VAL A 160 -6.069 17.235 18.892 1.00 0.00 C +ATOM 1277 N LYS A 161 -4.736 13.171 21.127 1.00 0.00 N +ATOM 1278 CA LYS A 161 -4.208 11.810 21.114 1.00 0.00 C +ATOM 1279 C LYS A 161 -4.825 10.991 19.984 1.00 0.00 C +ATOM 1280 CB LYS A 161 -4.462 11.123 22.457 1.00 0.00 C +ATOM 1281 O LYS A 161 -6.049 10.879 19.888 1.00 0.00 O +ATOM 1282 CG LYS A 161 -3.703 11.742 23.622 1.00 0.00 C +ATOM 1283 CD LYS A 161 -3.940 10.973 24.915 1.00 0.00 C +ATOM 1284 CE LYS A 161 -3.194 11.600 26.085 1.00 0.00 C +ATOM 1285 NZ LYS A 161 -3.451 10.870 27.362 1.00 0.00 N +ATOM 1286 N PHE A 162 -4.025 10.550 19.102 1.00 0.00 N +ATOM 1287 CA PHE A 162 -4.469 9.496 18.198 1.00 0.00 C +ATOM 1288 C PHE A 162 -4.771 8.215 18.966 1.00 0.00 C +ATOM 1289 CB PHE A 162 -3.411 9.227 17.123 1.00 0.00 C +ATOM 1290 O PHE A 162 -3.855 7.487 19.353 1.00 0.00 O +ATOM 1291 CG PHE A 162 -3.935 8.476 15.930 1.00 0.00 C +ATOM 1292 CD1 PHE A 162 -3.890 7.087 15.890 1.00 0.00 C +ATOM 1293 CD2 PHE A 162 -4.474 9.158 14.847 1.00 0.00 C +ATOM 1294 CE1 PHE A 162 -4.375 6.389 14.786 1.00 0.00 C +ATOM 1295 CE2 PHE A 162 -4.960 8.467 13.740 1.00 0.00 C +ATOM 1296 CZ PHE A 162 -4.909 7.083 13.711 1.00 0.00 C +ATOM 1297 N ASP A 163 -6.033 7.980 19.293 1.00 0.74 N +ATOM 1298 CA ASP A 163 -6.480 6.861 20.117 1.00 0.74 C +ATOM 1299 C ASP A 163 -6.954 5.697 19.250 1.00 0.74 C +ATOM 1300 CB ASP A 163 -7.599 7.304 21.062 1.00 0.74 C +ATOM 1301 O ASP A 163 -6.910 5.773 18.021 1.00 0.74 O +ATOM 1302 CG ASP A 163 -8.880 7.669 20.333 1.00 0.74 C +ATOM 1303 OD1 ASP A 163 -9.003 7.368 19.126 1.00 0.74 O +ATOM 1304 OD2 ASP A 163 -9.774 8.266 20.971 1.00 0.74 O +ATOM 1305 N GLU A 164 -7.406 4.598 19.859 1.00 2.45 N +ATOM 1306 CA GLU A 164 -7.841 3.365 19.210 1.00 2.45 C +ATOM 1307 C GLU A 164 -9.104 3.591 18.384 1.00 2.45 C +ATOM 1308 CB GLU A 164 -8.081 2.266 20.248 1.00 2.45 C +ATOM 1309 O GLU A 164 -9.299 2.950 17.349 1.00 2.45 O +ATOM 1310 CG GLU A 164 -6.824 1.837 20.991 1.00 2.45 C +ATOM 1311 CD GLU A 164 -7.067 0.705 21.977 1.00 2.45 C +ATOM 1312 OE1 GLU A 164 -8.242 0.331 22.195 1.00 2.45 O +ATOM 1313 OE2 GLU A 164 -6.074 0.187 22.536 1.00 2.45 O +ATOM 1314 N LYS A 165 -9.967 4.531 18.792 1.00 0.01 N +ATOM 1315 CA LYS A 165 -11.179 4.880 18.057 1.00 0.01 C +ATOM 1316 C LYS A 165 -10.843 5.512 16.710 1.00 0.01 C +ATOM 1317 CB LYS A 165 -12.051 5.831 18.879 1.00 0.01 C +ATOM 1318 O LYS A 165 -11.431 5.156 15.687 1.00 0.01 O +ATOM 1319 CG LYS A 165 -12.554 5.235 20.186 1.00 0.01 C +ATOM 1320 CD LYS A 165 -13.409 6.230 20.961 1.00 0.01 C +ATOM 1321 CE LYS A 165 -13.888 5.646 22.283 1.00 0.01 C +ATOM 1322 NZ LYS A 165 -14.648 6.648 23.089 1.00 0.01 N +ATOM 1323 N TRP A 166 -9.822 6.355 16.644 1.00 0.00 N +ATOM 1324 CA TRP A 166 -9.378 7.000 15.413 1.00 0.00 C +ATOM 1325 C TRP A 166 -8.716 5.993 14.479 1.00 0.00 C +ATOM 1326 CB TRP A 166 -8.407 8.143 15.723 1.00 0.00 C +ATOM 1327 O TRP A 166 -8.993 5.975 13.277 1.00 0.00 O +ATOM 1328 CG TRP A 166 -9.076 9.396 16.203 1.00 0.00 C +ATOM 1329 CD1 TRP A 166 -9.088 9.887 17.479 1.00 0.00 C +ATOM 1330 CD2 TRP A 166 -9.834 10.317 15.411 1.00 0.00 C +ATOM 1331 CE2 TRP A 166 -10.276 11.344 16.274 1.00 0.00 C +ATOM 1332 CE3 TRP A 166 -10.181 10.373 14.055 1.00 0.00 C +ATOM 1333 NE1 TRP A 166 -9.808 11.058 17.528 1.00 0.00 N +ATOM 1334 CH2 TRP A 166 -11.375 12.447 14.492 1.00 0.00 C +ATOM 1335 CZ2 TRP A 166 -11.050 12.416 15.823 1.00 0.00 C +ATOM 1336 CZ3 TRP A 166 -10.951 11.441 13.608 1.00 0.00 C +ATOM 1337 N ALA A 167 -7.956 5.135 15.012 1.00 0.00 N +ATOM 1338 CA ALA A 167 -7.340 4.076 14.216 1.00 0.00 C +ATOM 1339 C ALA A 167 -8.397 3.152 13.621 1.00 0.00 C +ATOM 1340 CB ALA A 167 -6.355 3.276 15.066 1.00 0.00 C +ATOM 1341 O ALA A 167 -8.388 2.881 12.418 1.00 0.00 O +ATOM 1342 N THR A 168 -9.392 2.739 14.420 1.00 0.15 N +ATOM 1343 CA THR A 168 -10.490 1.885 13.979 1.00 0.15 C +ATOM 1344 C THR A 168 -11.347 2.600 12.938 1.00 0.15 C +ATOM 1345 CB THR A 168 -11.372 1.451 15.164 1.00 0.15 C +ATOM 1346 O THR A 168 -11.656 2.036 11.887 1.00 0.15 O +ATOM 1347 CG2 THR A 168 -12.500 0.534 14.704 1.00 0.15 C +ATOM 1348 OG1 THR A 168 -10.565 0.755 16.122 1.00 0.15 O +ATOM 1349 N ALA A 169 -11.657 3.858 13.158 1.00 1.42 N +ATOM 1350 CA ALA A 169 -12.400 4.665 12.194 1.00 1.42 C +ATOM 1351 C ALA A 169 -11.628 4.804 10.885 1.00 1.42 C +ATOM 1352 CB ALA A 169 -12.705 6.043 12.776 1.00 1.42 C +ATOM 1353 O ALA A 169 -12.202 4.670 9.801 1.00 1.42 O +ATOM 1354 N GLY A 170 -10.375 5.013 10.943 1.00 0.00 N +ATOM 1355 CA GLY A 170 -9.505 5.036 9.777 1.00 0.00 C +ATOM 1356 C GLY A 170 -9.502 3.728 9.010 1.00 0.00 C +ATOM 1357 O GLY A 170 -9.672 3.718 7.788 1.00 0.00 O +ATOM 1358 N ILE A 171 -9.407 2.620 9.664 1.00 0.00 N +ATOM 1359 CA ILE A 171 -9.421 1.291 9.061 1.00 0.00 C +ATOM 1360 C ILE A 171 -10.769 1.043 8.389 1.00 0.00 C +ATOM 1361 CB ILE A 171 -9.134 0.192 10.109 1.00 0.00 C +ATOM 1362 O ILE A 171 -10.825 0.628 7.229 1.00 0.00 O +ATOM 1363 CG1 ILE A 171 -7.664 0.240 10.544 1.00 0.00 C +ATOM 1364 CG2 ILE A 171 -9.497 -1.189 9.556 1.00 0.00 C +ATOM 1365 CD1 ILE A 171 -7.364 -0.566 11.800 1.00 0.00 C +ATOM 1366 N ILE A 172 -11.882 1.334 9.047 1.00 0.07 N +ATOM 1367 CA ILE A 172 -13.221 1.190 8.486 1.00 0.07 C +ATOM 1368 C ILE A 172 -13.365 2.087 7.258 1.00 0.07 C +ATOM 1369 CB ILE A 172 -14.310 1.530 9.528 1.00 0.07 C +ATOM 1370 O ILE A 172 -13.822 1.638 6.204 1.00 0.07 O +ATOM 1371 CG1 ILE A 172 -14.348 0.463 10.628 1.00 0.07 C +ATOM 1372 CG2 ILE A 172 -15.678 1.670 8.854 1.00 0.07 C +ATOM 1373 CD1 ILE A 172 -15.186 0.851 11.839 1.00 0.07 C +ATOM 1374 N PHE A 173 -12.896 3.292 7.341 1.00 0.21 N +ATOM 1375 CA PHE A 173 -12.915 4.235 6.230 1.00 0.21 C +ATOM 1376 C PHE A 173 -12.142 3.683 5.038 1.00 0.21 C +ATOM 1377 CB PHE A 173 -12.328 5.584 6.657 1.00 0.21 C +ATOM 1378 O PHE A 173 -12.644 3.684 3.912 1.00 0.21 O +ATOM 1379 CG PHE A 173 -12.141 6.552 5.520 1.00 0.21 C +ATOM 1380 CD1 PHE A 173 -13.215 7.281 5.026 1.00 0.21 C +ATOM 1381 CD2 PHE A 173 -10.889 6.732 4.946 1.00 0.21 C +ATOM 1382 CE1 PHE A 173 -13.044 8.178 3.973 1.00 0.21 C +ATOM 1383 CE2 PHE A 173 -10.710 7.626 3.894 1.00 0.21 C +ATOM 1384 CZ PHE A 173 -11.789 8.347 3.409 1.00 0.21 C +ATOM 1385 N THR A 174 -10.943 3.114 5.213 1.00 0.02 N +ATOM 1386 CA THR A 174 -10.123 2.607 4.118 1.00 0.02 C +ATOM 1387 C THR A 174 -10.839 1.477 3.384 1.00 0.02 C +ATOM 1388 CB THR A 174 -8.758 2.109 4.626 1.00 0.02 C +ATOM 1389 O THR A 174 -10.885 1.460 2.152 1.00 0.02 O +ATOM 1390 CG2 THR A 174 -8.006 3.216 5.358 1.00 0.02 C +ATOM 1391 OG1 THR A 174 -8.960 1.011 5.523 1.00 0.02 O +ATOM 1392 N TRP A 175 -11.529 0.557 4.067 1.00 0.00 N +ATOM 1393 CA TRP A 175 -12.210 -0.581 3.459 1.00 0.00 C +ATOM 1394 C TRP A 175 -13.521 -0.150 2.812 1.00 0.00 C +ATOM 1395 CB TRP A 175 -12.475 -1.669 4.504 1.00 0.00 C +ATOM 1396 O TRP A 175 -13.796 -0.497 1.661 1.00 0.00 O +ATOM 1397 CG TRP A 175 -11.282 -2.525 4.809 1.00 0.00 C +ATOM 1398 CD1 TRP A 175 -10.529 -2.512 5.950 1.00 0.00 C +ATOM 1399 CD2 TRP A 175 -10.703 -3.517 3.956 1.00 0.00 C +ATOM 1400 CE2 TRP A 175 -9.600 -4.068 4.646 1.00 0.00 C +ATOM 1401 CE3 TRP A 175 -11.010 -3.995 2.675 1.00 0.00 C +ATOM 1402 NE1 TRP A 175 -9.516 -3.438 5.858 1.00 0.00 N +ATOM 1403 CH2 TRP A 175 -9.124 -5.523 2.841 1.00 0.00 C +ATOM 1404 CZ2 TRP A 175 -8.802 -5.074 4.096 1.00 0.00 C +ATOM 1405 CZ3 TRP A 175 -10.214 -4.996 2.130 1.00 0.00 C +ATOM 1406 N VAL A 176 -14.343 0.715 3.453 1.00 0.05 N +ATOM 1407 CA VAL A 176 -15.593 1.211 2.885 1.00 0.05 C +ATOM 1408 C VAL A 176 -15.301 2.026 1.627 1.00 0.05 C +ATOM 1409 CB VAL A 176 -16.379 2.066 3.904 1.00 0.05 C +ATOM 1410 O VAL A 176 -15.938 1.828 0.590 1.00 0.05 O +ATOM 1411 CG1 VAL A 176 -17.560 2.761 3.228 1.00 0.05 C +ATOM 1412 CG2 VAL A 176 -16.859 1.201 5.068 1.00 0.05 C +ATOM 1413 N TRP A 177 -14.265 2.854 1.660 1.00 0.00 N +ATOM 1414 CA TRP A 177 -13.831 3.669 0.530 1.00 0.00 C +ATOM 1415 C TRP A 177 -13.341 2.791 -0.617 1.00 0.00 C +ATOM 1416 CB TRP A 177 -12.724 4.636 0.958 1.00 0.00 C +ATOM 1417 O TRP A 177 -13.755 2.970 -1.765 1.00 0.00 O +ATOM 1418 CG TRP A 177 -12.318 5.608 -0.110 1.00 0.00 C +ATOM 1419 CD1 TRP A 177 -11.260 5.495 -0.967 1.00 0.00 C +ATOM 1420 CD2 TRP A 177 -12.963 6.844 -0.429 1.00 0.00 C +ATOM 1421 CE2 TRP A 177 -12.242 7.430 -1.493 1.00 0.00 C +ATOM 1422 CE3 TRP A 177 -14.083 7.515 0.081 1.00 0.00 C +ATOM 1423 NE1 TRP A 177 -11.208 6.587 -1.802 1.00 0.00 N +ATOM 1424 CH2 TRP A 177 -13.704 9.290 -1.539 1.00 0.00 C +ATOM 1425 CZ2 TRP A 177 -12.605 8.655 -2.057 1.00 0.00 C +ATOM 1426 CZ3 TRP A 177 -14.443 8.734 -0.482 1.00 0.00 C +ATOM 1427 N SER A 178 -12.493 1.754 -0.331 1.00 7.65 N +ATOM 1428 CA SER A 178 -11.967 0.835 -1.335 1.00 7.65 C +ATOM 1429 C SER A 178 -13.084 0.019 -1.978 1.00 7.65 C +ATOM 1430 CB SER A 178 -10.932 -0.104 -0.714 1.00 7.65 C +ATOM 1431 O SER A 178 -13.190 -0.041 -3.205 1.00 7.65 O +ATOM 1432 OG SER A 178 -11.563 -1.087 0.090 1.00 7.65 O +ATOM 1433 N LEU A 179 -14.002 -0.515 -1.202 1.00 0.20 N +ATOM 1434 CA LEU A 179 -15.126 -1.305 -1.694 1.00 0.20 C +ATOM 1435 C LEU A 179 -16.073 -0.444 -2.525 1.00 0.20 C +ATOM 1436 CB LEU A 179 -15.887 -1.940 -0.527 1.00 0.20 C +ATOM 1437 O LEU A 179 -16.535 -0.870 -3.586 1.00 0.20 O +ATOM 1438 CG LEU A 179 -15.154 -3.041 0.240 1.00 0.20 C +ATOM 1439 CD1 LEU A 179 -15.947 -3.440 1.481 1.00 0.20 C +ATOM 1440 CD2 LEU A 179 -14.914 -4.250 -0.658 1.00 0.20 C +ATOM 1441 N PHE A 180 -16.280 0.795 -2.138 1.00 2.75 N +ATOM 1442 CA PHE A 180 -17.117 1.747 -2.859 1.00 2.75 C +ATOM 1443 C PHE A 180 -16.552 2.023 -4.247 1.00 2.75 C +ATOM 1444 CB PHE A 180 -17.243 3.056 -2.074 1.00 2.75 C +ATOM 1445 O PHE A 180 -17.257 1.886 -5.249 1.00 2.75 O +ATOM 1446 CG PHE A 180 -17.982 4.139 -2.813 1.00 2.75 C +ATOM 1447 CD1 PHE A 180 -19.370 4.151 -2.852 1.00 2.75 C +ATOM 1448 CD2 PHE A 180 -17.286 5.146 -3.470 1.00 2.75 C +ATOM 1449 CE1 PHE A 180 -20.056 5.152 -3.536 1.00 2.75 C +ATOM 1450 CE2 PHE A 180 -17.964 6.149 -4.156 1.00 2.75 C +ATOM 1451 CZ PHE A 180 -19.350 6.150 -4.188 1.00 2.75 C +ATOM 1452 N TRP A 181 -15.235 2.258 -4.402 1.00 0.00 N +ATOM 1453 CA TRP A 181 -14.604 2.632 -5.664 1.00 0.00 C +ATOM 1454 C TRP A 181 -14.364 1.405 -6.537 1.00 0.00 C +ATOM 1455 CB TRP A 181 -13.282 3.360 -5.409 1.00 0.00 C +ATOM 1456 O TRP A 181 -14.242 1.520 -7.759 1.00 0.00 O +ATOM 1457 CG TRP A 181 -13.442 4.807 -5.050 1.00 0.00 C +ATOM 1458 CD1 TRP A 181 -13.220 5.383 -3.830 1.00 0.00 C +ATOM 1459 CD2 TRP A 181 -13.866 5.861 -5.920 1.00 0.00 C +ATOM 1460 CE2 TRP A 181 -13.876 7.051 -5.160 1.00 0.00 C +ATOM 1461 CE3 TRP A 181 -14.237 5.915 -7.270 1.00 0.00 C +ATOM 1462 NE1 TRP A 181 -13.479 6.733 -3.889 1.00 0.00 N +ATOM 1463 CH2 TRP A 181 -14.603 8.308 -7.030 1.00 0.00 C +ATOM 1464 CZ2 TRP A 181 -14.244 8.283 -5.707 1.00 0.00 C +ATOM 1465 CZ3 TRP A 181 -14.602 7.141 -7.812 1.00 0.00 C +ATOM 1466 N CYS A 182 -14.411 0.250 -5.966 1.00 0.00 N +ATOM 1467 CA CYS A 182 -14.225 -0.980 -6.729 1.00 0.00 C +ATOM 1468 C CYS A 182 -15.567 -1.576 -7.138 1.00 0.00 C +ATOM 1469 CB CYS A 182 -13.430 -2.000 -5.915 1.00 0.00 C +ATOM 1470 O CYS A 182 -15.617 -2.509 -7.941 1.00 0.00 O +ATOM 1471 SG CYS A 182 -11.713 -1.522 -5.624 1.00 0.00 S +ATOM 1472 N ALA A 183 -16.702 -1.048 -6.706 1.00 1.34 N +ATOM 1473 CA ALA A 183 -18.032 -1.612 -6.924 1.00 1.34 C +ATOM 1474 C ALA A 183 -18.498 -1.381 -8.358 1.00 1.34 C +ATOM 1475 CB ALA A 183 -19.032 -1.012 -5.939 1.00 1.34 C +ATOM 1476 O ALA A 183 -19.157 -2.240 -8.950 1.00 1.34 O +ATOM 1477 N PRO A 184 -18.160 -0.287 -9.051 1.00 0.00 N +ATOM 1478 CA PRO A 184 -18.789 0.056 -10.328 1.00 0.00 C +ATOM 1479 C PRO A 184 -18.554 -1.001 -11.405 1.00 0.00 C +ATOM 1480 CB PRO A 184 -18.118 1.379 -10.707 1.00 0.00 C +ATOM 1481 O PRO A 184 -19.473 -1.338 -12.155 1.00 0.00 O +ATOM 1482 CG PRO A 184 -17.824 2.046 -9.402 1.00 0.00 C +ATOM 1483 CD PRO A 184 -17.376 0.999 -8.422 1.00 0.00 C +ATOM 1484 N PRO A 185 -17.375 -1.712 -11.470 1.00 0.00 N +ATOM 1485 CA PRO A 185 -17.195 -2.786 -12.450 1.00 0.00 C +ATOM 1486 C PRO A 185 -18.123 -3.973 -12.203 1.00 0.00 C +ATOM 1487 CB PRO A 185 -15.730 -3.190 -12.265 1.00 0.00 C +ATOM 1488 O PRO A 185 -18.537 -4.645 -13.150 1.00 0.00 O +ATOM 1489 CG PRO A 185 -15.056 -1.959 -11.750 1.00 0.00 C +ATOM 1490 CD PRO A 185 -16.013 -1.234 -10.848 1.00 0.00 C +ATOM 1491 N ILE A 186 -18.521 -4.263 -11.020 1.00 0.04 N +ATOM 1492 CA ILE A 186 -19.455 -5.328 -10.668 1.00 0.04 C +ATOM 1493 C ILE A 186 -20.837 -5.009 -11.233 1.00 0.04 C +ATOM 1494 CB ILE A 186 -19.533 -5.528 -9.138 1.00 0.04 C +ATOM 1495 O ILE A 186 -21.568 -5.911 -11.648 1.00 0.04 O +ATOM 1496 CG1 ILE A 186 -18.162 -5.925 -8.580 1.00 0.04 C +ATOM 1497 CG2 ILE A 186 -20.593 -6.576 -8.785 1.00 0.04 C +ATOM 1498 CD1 ILE A 186 -18.111 -6.004 -7.061 1.00 0.04 C +ATOM 1499 N PHE A 187 -21.117 -3.706 -11.330 1.00 0.63 N +ATOM 1500 CA PHE A 187 -22.420 -3.255 -11.803 1.00 0.63 C +ATOM 1501 C PHE A 187 -22.403 -3.035 -13.310 1.00 0.63 C +ATOM 1502 CB PHE A 187 -22.834 -1.964 -11.088 1.00 0.63 C +ATOM 1503 O PHE A 187 -23.347 -2.474 -13.872 1.00 0.63 O +ATOM 1504 CG PHE A 187 -23.029 -2.127 -9.605 1.00 0.63 C +ATOM 1505 CD1 PHE A 187 -24.004 -2.983 -9.108 1.00 0.63 C +ATOM 1506 CD2 PHE A 187 -22.236 -1.423 -8.708 1.00 0.63 C +ATOM 1507 CE1 PHE A 187 -24.186 -3.136 -7.735 1.00 0.63 C +ATOM 1508 CE2 PHE A 187 -22.413 -1.570 -7.335 1.00 0.63 C +ATOM 1509 CZ PHE A 187 -23.389 -2.426 -6.851 1.00 0.63 C +ATOM 1510 N GLY A 188 -21.361 -3.451 -13.955 1.00 0.00 N +ATOM 1511 CA GLY A 188 -21.250 -3.408 -15.405 1.00 0.00 C +ATOM 1512 C GLY A 188 -20.811 -2.054 -15.930 1.00 0.00 C +ATOM 1513 O GLY A 188 -20.780 -1.833 -17.142 1.00 0.00 O +ATOM 1514 N TRP A 189 -20.479 -1.067 -15.036 1.00 0.00 N +ATOM 1515 CA TRP A 189 -20.028 0.259 -15.444 1.00 0.00 C +ATOM 1516 C TRP A 189 -18.639 0.194 -16.069 1.00 0.00 C +ATOM 1517 CB TRP A 189 -20.019 1.215 -14.247 1.00 0.00 C +ATOM 1518 O TRP A 189 -18.246 1.090 -16.820 1.00 0.00 O +ATOM 1519 CG TRP A 189 -21.384 1.554 -13.728 1.00 0.00 C +ATOM 1520 CD1 TRP A 189 -22.582 1.085 -14.191 1.00 0.00 C +ATOM 1521 CD2 TRP A 189 -21.691 2.442 -12.649 1.00 0.00 C +ATOM 1522 CE2 TRP A 189 -23.097 2.462 -12.511 1.00 0.00 C +ATOM 1523 CE3 TRP A 189 -20.913 3.222 -11.783 1.00 0.00 C +ATOM 1524 NE1 TRP A 189 -23.616 1.627 -13.463 1.00 0.00 N +ATOM 1525 CH2 TRP A 189 -22.956 3.988 -10.707 1.00 0.00 C +ATOM 1526 CZ2 TRP A 189 -23.741 3.234 -11.541 1.00 0.00 C +ATOM 1527 CZ3 TRP A 189 -21.556 3.989 -10.818 1.00 0.00 C +ATOM 1528 N SER A 190 -17.942 -0.928 -15.870 1.00 2.16 N +ATOM 1529 CA SER A 190 -16.662 -1.282 -16.475 1.00 2.16 C +ATOM 1530 C SER A 190 -16.526 -2.792 -16.637 1.00 2.16 C +ATOM 1531 CB SER A 190 -15.504 -0.744 -15.634 1.00 2.16 C +ATOM 1532 O SER A 190 -17.048 -3.558 -15.825 1.00 2.16 O +ATOM 1533 OG SER A 190 -14.953 -1.767 -14.824 1.00 2.16 O +ATOM 1534 N ARG A 191 -16.115 -3.210 -17.820 1.00 0.00 N +ATOM 1535 CA ARG A 191 -15.795 -4.620 -18.015 1.00 0.00 C +ATOM 1536 C ARG A 191 -14.384 -4.934 -17.528 1.00 0.00 C +ATOM 1537 CB ARG A 191 -15.937 -5.005 -19.490 1.00 0.00 C +ATOM 1538 O ARG A 191 -13.433 -4.227 -17.867 1.00 0.00 O +ATOM 1539 CG ARG A 191 -17.355 -4.877 -20.025 1.00 0.00 C +ATOM 1540 CD ARG A 191 -17.447 -5.304 -21.483 1.00 0.00 C +ATOM 1541 NE ARG A 191 -18.800 -5.139 -22.009 1.00 0.00 N +ATOM 1542 NH1 ARG A 191 -18.331 -6.058 -24.076 1.00 0.00 N +ATOM 1543 NH2 ARG A 191 -20.444 -5.305 -23.603 1.00 0.00 N +ATOM 1544 CZ ARG A 191 -19.189 -5.501 -23.228 1.00 0.00 C +ATOM 1545 N TYR A 192 -14.223 -5.833 -16.604 1.00 0.02 N +ATOM 1546 CA TYR A 192 -12.921 -6.453 -16.384 1.00 0.02 C +ATOM 1547 C TYR A 192 -12.562 -7.392 -17.530 1.00 0.02 C +ATOM 1548 CB TYR A 192 -12.908 -7.220 -15.058 1.00 0.02 C +ATOM 1549 O TYR A 192 -13.333 -8.294 -17.866 1.00 0.02 O +ATOM 1550 CG TYR A 192 -12.821 -6.329 -13.842 1.00 0.02 C +ATOM 1551 CD1 TYR A 192 -11.607 -5.767 -13.453 1.00 0.02 C +ATOM 1552 CD2 TYR A 192 -13.950 -6.049 -13.081 1.00 0.02 C +ATOM 1553 CE1 TYR A 192 -11.521 -4.947 -12.332 1.00 0.02 C +ATOM 1554 CE2 TYR A 192 -13.876 -5.230 -11.959 1.00 0.02 C +ATOM 1555 OH TYR A 192 -12.579 -3.874 -10.483 1.00 0.02 O +ATOM 1556 CZ TYR A 192 -12.659 -4.684 -11.593 1.00 0.02 C +ATOM 1557 N TRP A 193 -11.324 -7.014 -18.081 1.00 0.05 N +ATOM 1558 CA TRP A 193 -10.721 -7.823 -19.134 1.00 0.05 C +ATOM 1559 C TRP A 193 -9.360 -8.357 -18.699 1.00 0.05 C +ATOM 1560 CB TRP A 193 -10.575 -7.008 -20.422 1.00 0.05 C +ATOM 1561 O TRP A 193 -8.650 -7.708 -17.926 1.00 0.05 O +ATOM 1562 CG TRP A 193 -11.870 -6.755 -21.133 1.00 0.05 C +ATOM 1563 CD1 TRP A 193 -12.651 -5.636 -21.048 1.00 0.05 C +ATOM 1564 CD2 TRP A 193 -12.538 -7.643 -22.034 1.00 0.05 C +ATOM 1565 CE2 TRP A 193 -13.720 -6.997 -22.459 1.00 0.05 C +ATOM 1566 CE3 TRP A 193 -12.250 -8.924 -22.524 1.00 0.05 C +ATOM 1567 NE1 TRP A 193 -13.765 -5.775 -21.844 1.00 0.05 N +ATOM 1568 CH2 TRP A 193 -14.310 -8.844 -23.817 1.00 0.05 C +ATOM 1569 CZ2 TRP A 193 -14.615 -7.590 -23.353 1.00 0.05 C +ATOM 1570 CZ3 TRP A 193 -13.142 -9.513 -23.413 1.00 0.05 C +ATOM 1571 N PRO A 194 -8.994 -9.518 -19.079 1.00 0.00 N +ATOM 1572 CA PRO A 194 -7.586 -9.884 -18.908 1.00 0.00 C +ATOM 1573 C PRO A 194 -6.636 -8.918 -19.610 1.00 0.00 C +ATOM 1574 CB PRO A 194 -7.506 -11.280 -19.533 1.00 0.00 C +ATOM 1575 O PRO A 194 -6.755 -8.697 -20.818 1.00 0.00 O +ATOM 1576 CG PRO A 194 -8.712 -11.374 -20.411 1.00 0.00 C +ATOM 1577 CD PRO A 194 -9.697 -10.325 -19.984 1.00 0.00 C +ATOM 1578 N HIS A 195 -5.741 -8.333 -18.890 1.00 8.65 N +ATOM 1579 CA HIS A 195 -4.685 -7.463 -19.396 1.00 8.65 C +ATOM 1580 C HIS A 195 -3.619 -8.262 -20.137 1.00 8.65 C +ATOM 1581 CB HIS A 195 -4.048 -6.673 -18.252 1.00 8.65 C +ATOM 1582 O HIS A 195 -3.193 -9.320 -19.669 1.00 8.65 O +ATOM 1583 CG HIS A 195 -4.953 -5.642 -17.657 1.00 8.65 C +ATOM 1584 CD2 HIS A 195 -5.478 -5.529 -16.414 1.00 8.65 C +ATOM 1585 ND1 HIS A 195 -5.423 -4.561 -18.373 1.00 8.65 N +ATOM 1586 CE1 HIS A 195 -6.198 -3.827 -17.592 1.00 8.65 C +ATOM 1587 NE2 HIS A 195 -6.248 -4.393 -16.398 1.00 8.65 N +ATOM 1588 N GLY A 196 -3.144 -7.727 -21.428 1.00 0.00 N +ATOM 1589 CA GLY A 196 -2.097 -7.990 -22.403 1.00 0.00 C +ATOM 1590 C GLY A 196 -1.535 -9.396 -22.311 1.00 0.00 C +ATOM 1591 O GLY A 196 -1.518 -10.130 -23.301 1.00 0.00 O +ATOM 1592 N LEU A 197 -0.980 -9.719 -20.999 1.00 0.01 N +ATOM 1593 CA LEU A 197 -0.342 -11.017 -20.811 1.00 0.01 C +ATOM 1594 C LEU A 197 -1.328 -12.031 -20.241 1.00 0.01 C +ATOM 1595 CB LEU A 197 0.870 -10.889 -19.883 1.00 0.01 C +ATOM 1596 O LEU A 197 -0.933 -13.125 -19.831 1.00 0.01 O +ATOM 1597 CG LEU A 197 2.067 -10.114 -20.435 1.00 0.01 C +ATOM 1598 CD1 LEU A 197 3.096 -9.875 -19.335 1.00 0.01 C +ATOM 1599 CD2 LEU A 197 2.694 -10.862 -21.607 1.00 0.01 C +ATOM 1600 N LYS A 198 -2.660 -11.723 -20.163 1.00 36.57 N +ATOM 1601 CA LYS A 198 -3.668 -12.578 -19.542 1.00 36.57 C +ATOM 1602 C LYS A 198 -3.277 -12.940 -18.112 1.00 36.57 C +ATOM 1603 CB LYS A 198 -3.876 -13.849 -20.367 1.00 36.57 C +ATOM 1604 O LYS A 198 -3.662 -13.996 -17.606 1.00 36.57 O +ATOM 1605 CG LYS A 198 -4.392 -13.596 -21.776 1.00 36.57 C +ATOM 1606 CD LYS A 198 -4.703 -14.899 -22.499 1.00 36.57 C +ATOM 1607 CE LYS A 198 -5.264 -14.646 -23.892 1.00 36.57 C +ATOM 1608 NZ LYS A 198 -5.628 -15.919 -24.583 1.00 36.57 N +ATOM 1609 N THR A 199 -2.289 -12.293 -17.528 1.00 0.00 N +ATOM 1610 CA THR A 199 -1.717 -12.639 -16.231 1.00 0.00 C +ATOM 1611 C THR A 199 -2.483 -11.955 -15.102 1.00 0.00 C +ATOM 1612 CB THR A 199 -0.229 -12.250 -16.155 1.00 0.00 C +ATOM 1613 O THR A 199 -2.393 -12.369 -13.944 1.00 0.00 O +ATOM 1614 CG2 THR A 199 0.612 -13.104 -17.097 1.00 0.00 C +ATOM 1615 OG1 THR A 199 -0.083 -10.872 -16.518 1.00 0.00 O +ATOM 1616 N SER A 200 -3.273 -10.901 -15.368 1.00 0.16 N +ATOM 1617 CA SER A 200 -4.100 -10.210 -14.383 1.00 0.16 C +ATOM 1618 C SER A 200 -5.387 -9.686 -15.012 1.00 0.16 C +ATOM 1619 CB SER A 200 -3.326 -9.053 -13.750 1.00 0.16 C +ATOM 1620 O SER A 200 -5.396 -9.285 -16.178 1.00 0.16 O +ATOM 1621 OG SER A 200 -2.942 -8.107 -14.732 1.00 0.16 O +ATOM 1622 N CYS A 201 -6.474 -9.817 -14.225 1.00 0.00 N +ATOM 1623 CA CYS A 201 -7.744 -9.169 -14.531 1.00 0.00 C +ATOM 1624 C CYS A 201 -7.794 -7.762 -13.947 1.00 0.00 C +ATOM 1625 CB CYS A 201 -8.911 -9.995 -13.992 1.00 0.00 C +ATOM 1626 O CYS A 201 -7.410 -7.549 -12.795 1.00 0.00 O +ATOM 1627 SG CYS A 201 -9.035 -11.642 -14.723 1.00 0.00 S +ATOM 1628 N GLY A 202 -7.952 -6.766 -14.791 1.00 0.00 N +ATOM 1629 CA GLY A 202 -8.135 -5.377 -14.402 1.00 0.00 C +ATOM 1630 C GLY A 202 -9.168 -4.653 -15.244 1.00 0.00 C +ATOM 1631 O GLY A 202 -9.714 -5.221 -16.192 1.00 0.00 O +ATOM 1632 N PRO A 203 -9.528 -3.432 -14.713 1.00 0.00 N +ATOM 1633 CA PRO A 203 -10.380 -2.609 -15.575 1.00 0.00 C +ATOM 1634 C PRO A 203 -9.777 -2.386 -16.960 1.00 0.00 C +ATOM 1635 CB PRO A 203 -10.487 -1.289 -14.808 1.00 0.00 C +ATOM 1636 O PRO A 203 -8.567 -2.179 -17.085 1.00 0.00 O +ATOM 1637 CG PRO A 203 -9.263 -1.244 -13.951 1.00 0.00 C +ATOM 1638 CD PRO A 203 -8.824 -2.652 -13.672 1.00 0.00 C +ATOM 1639 N ASP A 204 -10.546 -2.489 -17.979 1.00 0.00 N +ATOM 1640 CA ASP A 204 -10.199 -2.412 -19.395 1.00 0.00 C +ATOM 1641 C ASP A 204 -9.707 -1.015 -19.764 1.00 0.00 C +ATOM 1642 CB ASP A 204 -11.399 -2.794 -20.263 1.00 0.00 C +ATOM 1643 O ASP A 204 -10.396 -0.275 -20.469 1.00 0.00 O +ATOM 1644 CG ASP A 204 -11.012 -3.148 -21.688 1.00 0.00 C +ATOM 1645 OD1 ASP A 204 -9.803 -3.157 -22.007 1.00 0.00 O +ATOM 1646 OD2 ASP A 204 -11.923 -3.417 -22.500 1.00 0.00 O +ATOM 1647 N VAL A 205 -8.496 -0.631 -19.395 1.00 0.00 N +ATOM 1648 CA VAL A 205 -7.903 0.669 -19.689 1.00 0.00 C +ATOM 1649 C VAL A 205 -7.311 0.661 -21.096 1.00 0.00 C +ATOM 1650 CB VAL A 205 -6.818 1.045 -18.656 1.00 0.00 C +ATOM 1651 O VAL A 205 -7.151 1.715 -21.716 1.00 0.00 O +ATOM 1652 CG1 VAL A 205 -6.408 2.509 -18.811 1.00 0.00 C +ATOM 1653 CG2 VAL A 205 -7.315 0.774 -17.237 1.00 0.00 C +ATOM 1654 N PHE A 206 -7.083 -0.546 -21.635 1.00 0.00 N +ATOM 1655 CA PHE A 206 -6.181 -0.656 -22.775 1.00 0.00 C +ATOM 1656 C PHE A 206 -6.924 -1.159 -24.007 1.00 0.00 C +ATOM 1657 CB PHE A 206 -5.012 -1.592 -22.449 1.00 0.00 C +ATOM 1658 O PHE A 206 -6.385 -1.136 -25.116 1.00 0.00 O +ATOM 1659 CG PHE A 206 -4.163 -1.124 -21.298 1.00 0.00 C +ATOM 1660 CD1 PHE A 206 -3.402 0.033 -21.402 1.00 0.00 C +ATOM 1661 CD2 PHE A 206 -4.127 -1.843 -20.110 1.00 0.00 C +ATOM 1662 CE1 PHE A 206 -2.615 0.468 -20.338 1.00 0.00 C +ATOM 1663 CE2 PHE A 206 -3.343 -1.415 -19.042 1.00 0.00 C +ATOM 1664 CZ PHE A 206 -2.587 -0.259 -19.159 1.00 0.00 C +ATOM 1665 N SER A 207 -8.164 -1.693 -23.996 1.00 0.39 N +ATOM 1666 CA SER A 207 -8.863 -2.267 -25.141 1.00 0.39 C +ATOM 1667 C SER A 207 -9.277 -1.186 -26.135 1.00 0.39 C +ATOM 1668 CB SER A 207 -10.096 -3.047 -24.682 1.00 0.39 C +ATOM 1669 O SER A 207 -9.862 -1.486 -27.178 1.00 0.39 O +ATOM 1670 OG SER A 207 -11.052 -2.179 -24.100 1.00 0.39 O +ATOM 1671 N GLY A 208 -8.816 0.150 -25.869 1.00 0.17 N +ATOM 1672 CA GLY A 208 -9.253 1.203 -26.772 1.00 0.17 C +ATOM 1673 C GLY A 208 -10.750 1.446 -26.725 1.00 0.17 C +ATOM 1674 O GLY A 208 -11.308 2.090 -27.616 1.00 0.17 O +ATOM 1675 N ASN A 209 -11.442 0.656 -25.881 1.00 0.19 N +ATOM 1676 CA ASN A 209 -12.845 1.008 -25.689 1.00 0.19 C +ATOM 1677 C ASN A 209 -13.018 2.504 -25.437 1.00 0.19 C +ATOM 1678 CB ASN A 209 -13.448 0.203 -24.536 1.00 0.19 C +ATOM 1679 O ASN A 209 -12.569 3.021 -24.413 1.00 0.19 O +ATOM 1680 CG ASN A 209 -13.968 -1.151 -24.980 1.00 0.19 C +ATOM 1681 ND2 ASN A 209 -14.058 -2.087 -24.043 1.00 0.19 N +ATOM 1682 OD1 ASN A 209 -14.285 -1.353 -26.155 1.00 0.19 O +ATOM 1683 N GLU A 210 -13.737 3.184 -26.320 1.00 0.00 N +ATOM 1684 CA GLU A 210 -14.067 4.604 -26.376 1.00 0.00 C +ATOM 1685 C GLU A 210 -15.235 4.936 -25.451 1.00 0.00 C +ATOM 1686 CB GLU A 210 -14.396 5.024 -27.811 1.00 0.00 C +ATOM 1687 O GLU A 210 -15.793 6.034 -25.517 1.00 0.00 O +ATOM 1688 CG GLU A 210 -13.236 4.860 -28.781 1.00 0.00 C +ATOM 1689 CD GLU A 210 -13.513 5.451 -30.154 1.00 0.00 C +ATOM 1690 OE1 GLU A 210 -14.693 5.724 -30.470 1.00 0.00 O +ATOM 1691 OE2 GLU A 210 -12.542 5.642 -30.920 1.00 0.00 O +ATOM 1692 N ASP A 211 -15.652 3.945 -24.603 1.00 0.00 N +ATOM 1693 CA ASP A 211 -16.762 4.284 -23.719 1.00 0.00 C +ATOM 1694 C ASP A 211 -16.381 5.416 -22.767 1.00 0.00 C +ATOM 1695 CB ASP A 211 -17.210 3.056 -22.924 1.00 0.00 C +ATOM 1696 O ASP A 211 -15.517 5.243 -21.904 1.00 0.00 O +ATOM 1697 CG ASP A 211 -18.414 3.329 -22.039 1.00 0.00 C +ATOM 1698 OD1 ASP A 211 -18.653 4.502 -21.678 1.00 0.00 O +ATOM 1699 OD2 ASP A 211 -19.128 2.362 -21.696 1.00 0.00 O +ATOM 1700 N PRO A 212 -16.966 6.606 -22.943 1.00 2.18 N +ATOM 1701 CA PRO A 212 -16.636 7.775 -22.125 1.00 2.18 C +ATOM 1702 C PRO A 212 -16.897 7.547 -20.637 1.00 2.18 C +ATOM 1703 CB PRO A 212 -17.557 8.865 -22.680 1.00 2.18 C +ATOM 1704 O PRO A 212 -16.221 8.137 -19.791 1.00 2.18 O +ATOM 1705 CG PRO A 212 -18.658 8.122 -23.365 1.00 2.18 C +ATOM 1706 CD PRO A 212 -18.104 6.831 -23.895 1.00 2.18 C +ATOM 1707 N GLY A 213 -17.860 6.726 -20.278 1.00 29.86 N +ATOM 1708 CA GLY A 213 -18.149 6.363 -18.900 1.00 29.86 C +ATOM 1709 C GLY A 213 -17.012 5.616 -18.228 1.00 29.86 C +ATOM 1710 O GLY A 213 -16.567 5.997 -17.143 1.00 29.86 O +ATOM 1711 N VAL A 214 -16.456 4.582 -18.861 1.00 0.01 N +ATOM 1712 CA VAL A 214 -15.322 3.812 -18.362 1.00 0.01 C +ATOM 1713 C VAL A 214 -14.109 4.726 -18.199 1.00 0.01 C +ATOM 1714 CB VAL A 214 -14.978 2.634 -19.300 1.00 0.01 C +ATOM 1715 O VAL A 214 -13.442 4.703 -17.162 1.00 0.01 O +ATOM 1716 CG1 VAL A 214 -13.712 1.921 -18.830 1.00 0.01 C +ATOM 1717 CG2 VAL A 214 -16.149 1.655 -19.376 1.00 0.01 C +ATOM 1718 N ARG A 215 -13.890 5.568 -19.121 1.00 0.00 N +ATOM 1719 CA ARG A 215 -12.790 6.526 -19.070 1.00 0.00 C +ATOM 1720 C ARG A 215 -12.949 7.479 -17.890 1.00 0.00 C +ATOM 1721 CB ARG A 215 -12.707 7.320 -20.376 1.00 0.00 C +ATOM 1722 O ARG A 215 -12.007 7.684 -17.120 1.00 0.00 O +ATOM 1723 CG ARG A 215 -11.507 8.249 -20.457 1.00 0.00 C +ATOM 1724 CD ARG A 215 -11.416 8.936 -21.812 1.00 0.00 C +ATOM 1725 NE ARG A 215 -10.254 9.817 -21.893 1.00 0.00 N +ATOM 1726 NH1 ARG A 215 -10.696 10.545 -24.041 1.00 0.00 N +ATOM 1727 NH2 ARG A 215 -8.858 11.327 -22.916 1.00 0.00 N +ATOM 1728 CZ ARG A 215 -9.939 10.561 -22.950 1.00 0.00 C +ATOM 1729 N SER A 216 -14.124 8.103 -17.786 1.00 0.00 N +ATOM 1730 CA SER A 216 -14.405 9.002 -16.672 1.00 0.00 C +ATOM 1731 C SER A 216 -14.239 8.291 -15.332 1.00 0.00 C +ATOM 1732 CB SER A 216 -15.820 9.570 -16.785 1.00 0.00 C +ATOM 1733 O SER A 216 -13.641 8.838 -14.404 1.00 0.00 O +ATOM 1734 OG SER A 216 -15.961 10.339 -17.967 1.00 0.00 O +ATOM 1735 N TYR A 217 -14.671 7.086 -15.193 1.00 0.00 N +ATOM 1736 CA TYR A 217 -14.512 6.276 -13.991 1.00 0.00 C +ATOM 1737 C TYR A 217 -13.039 6.024 -13.693 1.00 0.00 C +ATOM 1738 CB TYR A 217 -15.250 4.943 -14.139 1.00 0.00 C +ATOM 1739 O TYR A 217 -12.582 6.232 -12.567 1.00 0.00 O +ATOM 1740 CG TYR A 217 -14.932 3.948 -13.050 1.00 0.00 C +ATOM 1741 CD1 TYR A 217 -15.412 4.127 -11.754 1.00 0.00 C +ATOM 1742 CD2 TYR A 217 -14.151 2.828 -13.313 1.00 0.00 C +ATOM 1743 CE1 TYR A 217 -15.119 3.214 -10.746 1.00 0.00 C +ATOM 1744 CE2 TYR A 217 -13.852 1.908 -12.313 1.00 0.00 C +ATOM 1745 OH TYR A 217 -14.048 1.202 -10.041 1.00 0.00 O +ATOM 1746 CZ TYR A 217 -14.341 2.109 -11.035 1.00 0.00 C +ATOM 1747 N MET A 218 -12.253 5.721 -14.637 1.00 0.02 N +ATOM 1748 CA MET A 218 -10.833 5.432 -14.459 1.00 0.02 C +ATOM 1749 C MET A 218 -10.072 6.685 -14.036 1.00 0.02 C +ATOM 1750 CB MET A 218 -10.233 4.866 -15.746 1.00 0.02 C +ATOM 1751 O MET A 218 -9.241 6.634 -13.127 1.00 0.02 O +ATOM 1752 CG MET A 218 -10.638 3.429 -16.031 1.00 0.02 C +ATOM 1753 SD MET A 218 -10.003 2.256 -14.772 1.00 0.02 S +ATOM 1754 CE MET A 218 -10.690 0.701 -15.407 1.00 0.02 C +ATOM 1755 N VAL A 219 -10.346 7.811 -14.691 1.00 1.23 N +ATOM 1756 CA VAL A 219 -9.769 9.090 -14.290 1.00 1.23 C +ATOM 1757 C VAL A 219 -10.144 9.395 -12.842 1.00 1.23 C +ATOM 1758 CB VAL A 219 -10.236 10.238 -15.214 1.00 1.23 C +ATOM 1759 O VAL A 219 -9.279 9.727 -12.027 1.00 1.23 O +ATOM 1760 CG1 VAL A 219 -9.800 11.591 -14.656 1.00 1.23 C +ATOM 1761 CG2 VAL A 219 -9.691 10.038 -16.628 1.00 1.23 C +ATOM 1762 N THR A 220 -11.387 9.195 -12.498 1.00 0.00 N +ATOM 1763 CA THR A 220 -11.847 9.442 -11.136 1.00 0.00 C +ATOM 1764 C THR A 220 -11.181 8.480 -10.156 1.00 0.00 C +ATOM 1765 CB THR A 220 -13.378 9.308 -11.031 1.00 0.00 C +ATOM 1766 O THR A 220 -10.681 8.899 -9.110 1.00 0.00 O +ATOM 1767 CG2 THR A 220 -13.865 9.654 -9.628 1.00 0.00 C +ATOM 1768 OG1 THR A 220 -13.995 10.195 -11.972 1.00 0.00 O +ATOM 1769 N LEU A 221 -11.114 7.160 -10.452 1.00 5.18 N +ATOM 1770 CA LEU A 221 -10.424 6.150 -9.657 1.00 5.18 C +ATOM 1771 C LEU A 221 -8.960 6.525 -9.454 1.00 5.18 C +ATOM 1772 CB LEU A 221 -10.523 4.778 -10.330 1.00 5.18 C +ATOM 1773 O LEU A 221 -8.463 6.515 -8.325 1.00 5.18 O +ATOM 1774 CG LEU A 221 -9.975 3.592 -9.535 1.00 5.18 C +ATOM 1775 CD1 LEU A 221 -10.929 3.227 -8.402 1.00 5.18 C +ATOM 1776 CD2 LEU A 221 -9.742 2.396 -10.451 1.00 5.18 C +ATOM 1777 N MET A 222 -8.297 7.007 -10.395 1.00 29.34 N +ATOM 1778 CA MET A 222 -6.893 7.402 -10.332 1.00 29.34 C +ATOM 1779 C MET A 222 -6.713 8.638 -9.456 1.00 29.34 C +ATOM 1780 CB MET A 222 -6.347 7.673 -11.735 1.00 29.34 C +ATOM 1781 O MET A 222 -5.830 8.673 -8.598 1.00 29.34 O +ATOM 1782 CG MET A 222 -6.116 6.414 -12.556 1.00 29.34 C +ATOM 1783 SD MET A 222 -4.883 5.292 -11.790 1.00 29.34 S +ATOM 1784 CE MET A 222 -5.364 3.718 -12.554 1.00 29.34 C +ATOM 1785 N LEU A 223 -7.492 9.650 -9.685 1.00 0.05 N +ATOM 1786 CA LEU A 223 -7.436 10.878 -8.899 1.00 0.05 C +ATOM 1787 C LEU A 223 -7.683 10.590 -7.422 1.00 0.05 C +ATOM 1788 CB LEU A 223 -8.463 11.890 -9.413 1.00 0.05 C +ATOM 1789 O LEU A 223 -6.917 11.032 -6.563 1.00 0.05 O +ATOM 1790 CG LEU A 223 -8.153 12.549 -10.757 1.00 0.05 C +ATOM 1791 CD1 LEU A 223 -9.338 13.389 -11.222 1.00 0.05 C +ATOM 1792 CD2 LEU A 223 -6.893 13.402 -10.657 1.00 0.05 C +ATOM 1793 N THR A 224 -8.648 9.711 -7.140 1.00 0.00 N +ATOM 1794 CA THR A 224 -9.135 9.546 -5.775 1.00 0.00 C +ATOM 1795 C THR A 224 -8.373 8.433 -5.061 1.00 0.00 C +ATOM 1796 CB THR A 224 -10.643 9.236 -5.753 1.00 0.00 C +ATOM 1797 O THR A 224 -8.207 8.472 -3.840 1.00 0.00 O +ATOM 1798 CG2 THR A 224 -11.455 10.418 -6.270 1.00 0.00 C +ATOM 1799 OG1 THR A 224 -10.902 8.094 -6.580 1.00 0.00 O +ATOM 1800 N CYS A 225 -7.814 7.429 -5.778 1.00 1.29 N +ATOM 1801 CA CYS A 225 -7.220 6.255 -5.148 1.00 1.29 C +ATOM 1802 C CYS A 225 -5.700 6.295 -5.242 1.00 1.29 C +ATOM 1803 CB CYS A 225 -7.747 4.975 -5.795 1.00 1.29 C +ATOM 1804 O CYS A 225 -5.008 5.616 -4.481 1.00 1.29 O +ATOM 1805 SG CYS A 225 -9.534 4.764 -5.642 1.00 1.29 S +ATOM 1806 N CYS A 226 -5.161 7.146 -6.174 1.00 0.00 N +ATOM 1807 CA CYS A 226 -3.712 7.223 -6.316 1.00 0.00 C +ATOM 1808 C CYS A 226 -3.211 8.637 -6.043 1.00 0.00 C +ATOM 1809 CB CYS A 226 -3.287 6.784 -7.717 1.00 0.00 C +ATOM 1810 O CYS A 226 -2.509 8.871 -5.058 1.00 0.00 O +ATOM 1811 SG CYS A 226 -3.762 5.090 -8.124 1.00 0.00 S +ATOM 1812 N ILE A 227 -3.629 9.664 -6.772 1.00 0.27 N +ATOM 1813 CA ILE A 227 -3.062 11.008 -6.744 1.00 0.27 C +ATOM 1814 C ILE A 227 -3.410 11.687 -5.421 1.00 0.27 C +ATOM 1815 CB ILE A 227 -3.564 11.859 -7.932 1.00 0.27 C +ATOM 1816 O ILE A 227 -2.542 12.272 -4.769 1.00 0.27 O +ATOM 1817 CG1 ILE A 227 -3.067 11.271 -9.257 1.00 0.27 C +ATOM 1818 CG2 ILE A 227 -3.118 13.316 -7.778 1.00 0.27 C +ATOM 1819 CD1 ILE A 227 -3.611 11.978 -10.491 1.00 0.27 C +ATOM 1820 N LEU A 228 -4.686 11.586 -4.971 1.00 0.66 N +ATOM 1821 CA LEU A 228 -5.130 12.241 -3.745 1.00 0.66 C +ATOM 1822 C LEU A 228 -4.429 11.649 -2.527 1.00 0.66 C +ATOM 1823 CB LEU A 228 -6.647 12.112 -3.588 1.00 0.66 C +ATOM 1824 O LEU A 228 -3.778 12.371 -1.768 1.00 0.66 O +ATOM 1825 CG LEU A 228 -7.243 12.652 -2.287 1.00 0.66 C +ATOM 1826 CD1 LEU A 228 -6.981 14.149 -2.165 1.00 0.66 C +ATOM 1827 CD2 LEU A 228 -8.737 12.357 -2.220 1.00 0.66 C +ATOM 1828 N PRO A 229 -4.410 10.283 -2.276 1.00 0.00 N +ATOM 1829 CA PRO A 229 -3.653 9.729 -1.151 1.00 0.00 C +ATOM 1830 C PRO A 229 -2.172 10.095 -1.200 1.00 0.00 C +ATOM 1831 CB PRO A 229 -3.848 8.218 -1.305 1.00 0.00 C +ATOM 1832 O PRO A 229 -1.603 10.518 -0.190 1.00 0.00 O +ATOM 1833 CG PRO A 229 -5.158 8.072 -2.009 1.00 0.00 C +ATOM 1834 CD PRO A 229 -5.340 9.245 -2.928 1.00 0.00 C +ATOM 1835 N LEU A 230 -1.578 10.169 -2.356 1.00 0.00 N +ATOM 1836 CA LEU A 230 -0.173 10.525 -2.518 1.00 0.00 C +ATOM 1837 C LEU A 230 0.065 11.985 -2.147 1.00 0.00 C +ATOM 1838 CB LEU A 230 0.282 10.272 -3.959 1.00 0.00 C +ATOM 1839 O LEU A 230 1.013 12.300 -1.425 1.00 0.00 O +ATOM 1840 CG LEU A 230 1.744 10.592 -4.274 1.00 0.00 C +ATOM 1841 CD1 LEU A 230 2.670 9.749 -3.405 1.00 0.00 C +ATOM 1842 CD2 LEU A 230 2.034 10.363 -5.754 1.00 0.00 C +ATOM 1843 N SER A 231 -0.748 12.797 -2.616 1.00 1.79 N +ATOM 1844 CA SER A 231 -0.658 14.220 -2.307 1.00 1.79 C +ATOM 1845 C SER A 231 -0.789 14.470 -0.809 1.00 1.79 C +ATOM 1846 CB SER A 231 -1.736 15.002 -3.060 1.00 1.79 C +ATOM 1847 O SER A 231 -0.028 15.253 -0.235 1.00 1.79 O +ATOM 1848 OG SER A 231 -1.594 14.834 -4.460 1.00 1.79 O +ATOM 1849 N VAL A 232 -1.676 13.749 -0.122 1.00 0.00 N +ATOM 1850 CA VAL A 232 -1.878 13.853 1.319 1.00 0.00 C +ATOM 1851 C VAL A 232 -0.655 13.308 2.053 1.00 0.00 C +ATOM 1852 CB VAL A 232 -3.149 13.100 1.770 1.00 0.00 C +ATOM 1853 O VAL A 232 -0.142 13.945 2.976 1.00 0.00 O +ATOM 1854 CG1 VAL A 232 -3.252 13.079 3.294 1.00 0.00 C +ATOM 1855 CG2 VAL A 232 -4.394 13.738 1.156 1.00 0.00 C +ATOM 1856 N ILE A 233 -0.113 12.159 1.651 1.00 0.00 N +ATOM 1857 CA ILE A 233 1.084 11.557 2.229 1.00 0.00 C +ATOM 1858 C ILE A 233 2.260 12.522 2.102 1.00 0.00 C +ATOM 1859 CB ILE A 233 1.421 10.209 1.554 1.00 0.00 C +ATOM 1860 O ILE A 233 2.896 12.870 3.100 1.00 0.00 O +ATOM 1861 CG1 ILE A 233 0.399 9.140 1.956 1.00 0.00 C +ATOM 1862 CG2 ILE A 233 2.844 9.768 1.910 1.00 0.00 C +ATOM 1863 CD1 ILE A 233 0.431 7.893 1.083 1.00 0.00 C +ATOM 1864 N ILE A 234 2.544 13.044 0.903 1.00 0.05 N +ATOM 1865 CA ILE A 234 3.631 13.979 0.635 1.00 0.05 C +ATOM 1866 C ILE A 234 3.444 15.241 1.475 1.00 0.05 C +ATOM 1867 CB ILE A 234 3.709 14.340 -0.865 1.00 0.05 C +ATOM 1868 O ILE A 234 4.368 15.677 2.165 1.00 0.05 O +ATOM 1869 CG1 ILE A 234 4.200 13.138 -1.679 1.00 0.05 C +ATOM 1870 CG2 ILE A 234 4.615 15.555 -1.081 1.00 0.05 C +ATOM 1871 CD1 ILE A 234 4.017 13.291 -3.182 1.00 0.05 C +ATOM 1872 N PHE A 235 2.247 15.808 1.539 1.00 0.00 N +ATOM 1873 CA PHE A 235 1.918 16.990 2.327 1.00 0.00 C +ATOM 1874 C PHE A 235 2.169 16.740 3.809 1.00 0.00 C +ATOM 1875 CB PHE A 235 0.459 17.399 2.103 1.00 0.00 C +ATOM 1876 O PHE A 235 2.871 17.513 4.464 1.00 0.00 O +ATOM 1877 CG PHE A 235 -0.003 18.516 3.000 1.00 0.00 C +ATOM 1878 CD1 PHE A 235 0.337 19.834 2.722 1.00 0.00 C +ATOM 1879 CD2 PHE A 235 -0.778 18.247 4.120 1.00 0.00 C +ATOM 1880 CE1 PHE A 235 -0.089 20.870 3.550 1.00 0.00 C +ATOM 1881 CE2 PHE A 235 -1.208 19.277 4.952 1.00 0.00 C +ATOM 1882 CZ PHE A 235 -0.861 20.587 4.666 1.00 0.00 C +ATOM 1883 N CYS A 236 1.641 15.653 4.385 1.00 0.00 N +ATOM 1884 CA CYS A 236 1.828 15.275 5.781 1.00 0.00 C +ATOM 1885 C CYS A 236 3.309 15.167 6.123 1.00 0.00 C +ATOM 1886 CB CYS A 236 1.129 13.948 6.075 1.00 0.00 C +ATOM 1887 O CYS A 236 3.763 15.732 7.120 1.00 0.00 O +ATOM 1888 SG CYS A 236 -0.671 14.076 6.157 1.00 0.00 S +ATOM 1889 N TYR A 237 4.053 14.547 5.233 1.00 0.00 N +ATOM 1890 CA TYR A 237 5.461 14.301 5.524 1.00 0.00 C +ATOM 1891 C TYR A 237 6.283 15.574 5.362 1.00 0.00 C +ATOM 1892 CB TYR A 237 6.015 13.203 4.610 1.00 0.00 C +ATOM 1893 O TYR A 237 7.204 15.829 6.140 1.00 0.00 O +ATOM 1894 CG TYR A 237 5.731 11.804 5.101 1.00 0.00 C +ATOM 1895 CD1 TYR A 237 6.244 11.353 6.316 1.00 0.00 C +ATOM 1896 CD2 TYR A 237 4.950 10.930 4.352 1.00 0.00 C +ATOM 1897 CE1 TYR A 237 5.986 10.065 6.771 1.00 0.00 C +ATOM 1898 CE2 TYR A 237 4.686 9.640 4.798 1.00 0.00 C +ATOM 1899 OH TYR A 237 4.948 7.940 6.453 1.00 0.00 O +ATOM 1900 CZ TYR A 237 5.207 9.217 6.007 1.00 0.00 C +ATOM 1901 N ILE A 238 6.008 16.539 4.445 1.00 0.30 N +ATOM 1902 CA ILE A 238 6.605 17.867 4.351 1.00 0.30 C +ATOM 1903 C ILE A 238 6.320 18.653 5.629 1.00 0.30 C +ATOM 1904 CB ILE A 238 6.079 18.638 3.119 1.00 0.30 C +ATOM 1905 O ILE A 238 7.229 19.240 6.220 1.00 0.30 O +ATOM 1906 CG1 ILE A 238 6.631 18.022 1.828 1.00 0.30 C +ATOM 1907 CG2 ILE A 238 6.441 20.122 3.216 1.00 0.30 C +ATOM 1908 CD1 ILE A 238 5.971 18.546 0.561 1.00 0.30 C +ATOM 1909 N CYS A 239 5.112 18.632 6.190 1.00 0.00 N +ATOM 1910 CA CYS A 239 4.730 19.310 7.424 1.00 0.00 C +ATOM 1911 C CYS A 239 5.480 18.732 8.618 1.00 0.00 C +ATOM 1912 CB CYS A 239 3.223 19.197 7.654 1.00 0.00 C +ATOM 1913 O CYS A 239 6.007 19.478 9.446 1.00 0.00 O +ATOM 1914 SG CYS A 239 2.237 20.204 6.525 1.00 0.00 S +ATOM 1915 N VAL A 240 5.607 17.339 8.719 1.00 0.00 N +ATOM 1916 CA VAL A 240 6.359 16.645 9.759 1.00 0.00 C +ATOM 1917 C VAL A 240 7.830 17.050 9.692 1.00 0.00 C +ATOM 1918 CB VAL A 240 6.222 15.111 9.631 1.00 0.00 C +ATOM 1919 O VAL A 240 8.426 17.418 10.706 1.00 0.00 O +ATOM 1920 CG1 VAL A 240 7.265 14.402 10.493 1.00 0.00 C +ATOM 1921 CG2 VAL A 240 4.813 14.668 10.020 1.00 0.00 C +ATOM 1922 N TRP A 241 8.420 17.065 8.513 1.00 0.00 N +ATOM 1923 CA TRP A 241 9.808 17.456 8.289 1.00 0.00 C +ATOM 1924 C TRP A 241 10.033 18.912 8.681 1.00 0.00 C +ATOM 1925 CB TRP A 241 10.198 17.242 6.824 1.00 0.00 C +ATOM 1926 O TRP A 241 10.987 19.230 9.395 1.00 0.00 O +ATOM 1927 CG TRP A 241 11.565 17.751 6.477 1.00 0.00 C +ATOM 1928 CD1 TRP A 241 12.764 17.184 6.808 1.00 0.00 C +ATOM 1929 CD2 TRP A 241 11.872 18.935 5.734 1.00 0.00 C +ATOM 1930 CE2 TRP A 241 13.280 19.023 5.652 1.00 0.00 C +ATOM 1931 CE3 TRP A 241 11.093 19.930 5.128 1.00 0.00 C +ATOM 1932 NE1 TRP A 241 13.799 17.944 6.315 1.00 0.00 N +ATOM 1933 CH2 TRP A 241 13.139 21.029 4.403 1.00 0.00 C +ATOM 1934 CZ2 TRP A 241 13.925 20.069 4.988 1.00 0.00 C +ATOM 1935 CZ3 TRP A 241 11.737 20.969 4.467 1.00 0.00 C +ATOM 1936 N MET A 242 9.169 19.895 8.324 1.00 0.89 N +ATOM 1937 CA MET A 242 9.232 21.310 8.680 1.00 0.89 C +ATOM 1938 C MET A 242 9.106 21.498 10.188 1.00 0.89 C +ATOM 1939 CB MET A 242 8.134 22.095 7.961 1.00 0.89 C +ATOM 1940 O MET A 242 9.850 22.278 10.785 1.00 0.89 O +ATOM 1941 CG MET A 242 8.376 22.263 6.469 1.00 0.89 C +ATOM 1942 SD MET A 242 7.176 23.410 5.687 1.00 0.89 S +ATOM 1943 CE MET A 242 5.636 22.486 5.943 1.00 0.89 C +ATOM 1944 N ALA A 243 8.219 20.764 10.890 1.00 0.01 N +ATOM 1945 CA ALA A 243 8.011 20.826 12.335 1.00 0.01 C +ATOM 1946 C ALA A 243 9.249 20.349 13.089 1.00 0.01 C +ATOM 1947 CB ALA A 243 6.795 19.994 12.734 1.00 0.01 C +ATOM 1948 O ALA A 243 9.729 21.029 13.999 1.00 0.01 O +ATOM 1949 N ILE A 244 9.824 19.181 12.685 1.00 0.00 N +ATOM 1950 CA ILE A 244 11.029 18.634 13.297 1.00 0.00 C +ATOM 1951 C ILE A 244 12.198 19.594 13.084 1.00 0.00 C +ATOM 1952 CB ILE A 244 11.370 17.239 12.724 1.00 0.00 C +ATOM 1953 O ILE A 244 12.966 19.862 14.011 1.00 0.00 O +ATOM 1954 CG1 ILE A 244 10.325 16.210 13.168 1.00 0.00 C +ATOM 1955 CG2 ILE A 244 12.778 16.810 13.150 1.00 0.00 C +ATOM 1956 CD1 ILE A 244 10.423 14.876 12.441 1.00 0.00 C +ATOM 1957 N ARG A 245 12.363 20.249 11.927 1.00 0.01 N +ATOM 1958 CA ARG A 245 13.398 21.233 11.624 1.00 0.01 C +ATOM 1959 C ARG A 245 13.230 22.484 12.480 1.00 0.01 C +ATOM 1960 CB ARG A 245 13.368 21.606 10.140 1.00 0.01 C +ATOM 1961 O ARG A 245 14.213 23.035 12.982 1.00 0.01 O +ATOM 1962 CG ARG A 245 14.143 20.649 9.249 1.00 0.01 C +ATOM 1963 CD ARG A 245 14.305 21.198 7.838 1.00 0.01 C +ATOM 1964 NE ARG A 245 15.340 20.483 7.097 1.00 0.01 N +ATOM 1965 NH1 ARG A 245 15.393 21.970 5.330 1.00 0.01 N +ATOM 1966 NH2 ARG A 245 16.774 20.140 5.336 1.00 0.01 N +ATOM 1967 CZ ARG A 245 15.833 20.866 5.923 1.00 0.01 C +ATOM 1968 N ALA A 246 12.020 22.947 12.700 1.00 0.00 N +ATOM 1969 CA ALA A 246 11.742 24.091 13.565 1.00 0.00 C +ATOM 1970 C ALA A 246 12.156 23.804 15.005 1.00 0.00 C +ATOM 1971 CB ALA A 246 10.261 24.457 13.503 1.00 0.00 C +ATOM 1972 O ALA A 246 12.851 24.609 15.630 1.00 0.00 O +ATOM 1973 N VAL A 247 11.872 22.569 15.557 1.00 0.00 N +ATOM 1974 CA VAL A 247 12.260 22.136 16.896 1.00 0.00 C +ATOM 1975 C VAL A 247 13.777 21.982 16.970 1.00 0.00 C +ATOM 1976 CB VAL A 247 11.570 20.809 17.285 1.00 0.00 C +ATOM 1977 O VAL A 247 14.411 22.464 17.912 1.00 0.00 O +ATOM 1978 CG1 VAL A 247 12.123 20.280 18.607 1.00 0.00 C +ATOM 1979 CG2 VAL A 247 10.057 21.000 17.373 1.00 0.00 C +ATOM 1980 N ALA A 248 14.435 21.422 15.902 1.00 0.00 N +ATOM 1981 CA ALA A 248 15.880 21.221 15.835 1.00 0.00 C +ATOM 1982 C ALA A 248 16.618 22.555 15.775 1.00 0.00 C +ATOM 1983 CB ALA A 248 16.242 20.362 14.626 1.00 0.00 C +ATOM 1984 O ALA A 248 17.726 22.683 16.301 1.00 0.00 O +ATOM 1985 N GLN A 249 16.044 23.614 15.226 1.00 0.00 N +ATOM 1986 CA GLN A 249 16.610 24.957 15.164 1.00 0.00 C +ATOM 1987 C GLN A 249 16.513 25.658 16.516 1.00 0.00 C +ATOM 1988 CB GLN A 249 15.905 25.788 14.090 1.00 0.00 C +ATOM 1989 O GLN A 249 17.395 26.438 16.881 1.00 0.00 O +ATOM 1990 CG GLN A 249 16.356 25.469 12.671 1.00 0.00 C +ATOM 1991 CD GLN A 249 15.571 26.231 11.620 1.00 0.00 C +ATOM 1992 NE2 GLN A 249 15.989 26.112 10.365 1.00 0.00 N +ATOM 1993 OE1 GLN A 249 14.595 26.921 11.934 1.00 0.00 O +ATOM 1994 N GLN A 250 15.440 25.270 17.340 1.00 0.00 N +ATOM 1995 CA GLN A 250 15.246 25.824 18.676 1.00 0.00 C +ATOM 1996 C GLN A 250 16.127 25.113 19.700 1.00 0.00 C +ATOM 1997 CB GLN A 250 13.777 25.725 19.091 1.00 0.00 C +ATOM 1998 O GLN A 250 16.600 25.732 20.656 1.00 0.00 O +ATOM 1999 CG GLN A 250 12.859 26.673 18.331 1.00 0.00 C +ATOM 2000 CD GLN A 250 11.393 26.462 18.663 1.00 0.00 C +ATOM 2001 NE2 GLN A 250 10.541 27.360 18.179 1.00 0.00 N +ATOM 2002 OE1 GLN A 250 11.030 25.501 19.348 1.00 0.00 O +ATOM 2003 N GLN A 251 16.391 23.778 19.422 1.00 0.00 N +ATOM 2004 CA GLN A 251 17.125 22.928 20.353 1.00 0.00 C +ATOM 2005 C GLN A 251 18.439 22.450 19.742 1.00 0.00 C +ATOM 2006 CB GLN A 251 16.274 21.728 20.771 1.00 0.00 C +ATOM 2007 O GLN A 251 18.753 21.258 19.784 1.00 0.00 O +ATOM 2008 CG GLN A 251 15.056 22.100 21.606 1.00 0.00 C +ATOM 2009 CD GLN A 251 14.280 20.887 22.084 1.00 0.00 C +ATOM 2010 NE2 GLN A 251 13.449 21.079 23.103 1.00 0.00 N +ATOM 2011 OE1 GLN A 251 14.424 19.787 21.541 1.00 0.00 O +ATOM 2012 N LYS A 252 19.243 23.370 19.225 1.00 0.00 N +ATOM 2013 CA LYS A 252 20.442 23.119 18.431 1.00 0.00 C +ATOM 2014 C LYS A 252 21.413 22.206 19.174 1.00 0.00 C +ATOM 2015 CB LYS A 252 21.133 24.435 18.070 1.00 0.00 C +ATOM 2016 O LYS A 252 22.169 21.458 18.552 1.00 0.00 O +ATOM 2017 CG LYS A 252 20.460 25.198 16.939 1.00 0.00 C +ATOM 2018 CD LYS A 252 21.240 26.453 16.569 1.00 0.00 C +ATOM 2019 CE LYS A 252 20.596 27.189 15.402 1.00 0.00 C +ATOM 2020 NZ LYS A 252 21.335 28.442 15.062 1.00 0.00 N +ATOM 2021 N ASP A 253 21.266 22.233 20.560 1.00 0.00 N +ATOM 2022 CA ASP A 253 22.261 21.572 21.400 1.00 0.00 C +ATOM 2023 C ASP A 253 21.812 20.162 21.776 1.00 0.00 C +ATOM 2024 CB ASP A 253 22.528 22.393 22.663 1.00 0.00 C +ATOM 2025 O ASP A 253 22.576 19.400 22.372 1.00 0.00 O +ATOM 2026 CG ASP A 253 23.020 23.798 22.364 1.00 0.00 C +ATOM 2027 OD1 ASP A 253 23.758 23.988 21.373 1.00 0.00 O +ATOM 2028 OD2 ASP A 253 22.670 24.724 23.128 1.00 0.00 O +ATOM 2029 N SER A 254 20.634 19.834 21.341 1.00 0.00 N +ATOM 2030 CA SER A 254 20.147 18.500 21.678 1.00 0.00 C +ATOM 2031 C SER A 254 20.450 17.504 20.564 1.00 0.00 C +ATOM 2032 CB SER A 254 18.643 18.531 21.951 1.00 0.00 C +ATOM 2033 O SER A 254 19.694 17.400 19.595 1.00 0.00 O +ATOM 2034 OG SER A 254 18.174 17.248 22.328 1.00 0.00 O +ATOM 2035 N GLU A 255 21.567 16.729 20.660 1.00 0.00 N +ATOM 2036 CA GLU A 255 21.977 15.643 19.775 1.00 0.00 C +ATOM 2037 C GLU A 255 20.837 14.654 19.551 1.00 0.00 C +ATOM 2038 CB GLU A 255 23.199 14.918 20.344 1.00 0.00 C +ATOM 2039 O GLU A 255 20.654 14.150 18.441 1.00 0.00 O +ATOM 2040 CG GLU A 255 23.838 13.935 19.374 1.00 0.00 C +ATOM 2041 CD GLU A 255 24.996 13.158 19.982 1.00 0.00 C +ATOM 2042 OE1 GLU A 255 25.420 13.488 21.112 1.00 0.00 O +ATOM 2043 OE2 GLU A 255 25.482 12.214 19.321 1.00 0.00 O +ATOM 2044 N SER A 256 20.023 14.378 20.525 1.00 0.00 N +ATOM 2045 CA SER A 256 18.876 13.478 20.475 1.00 0.00 C +ATOM 2046 C SER A 256 17.830 13.971 19.480 1.00 0.00 C +ATOM 2047 CB SER A 256 18.245 13.335 21.861 1.00 0.00 C +ATOM 2048 O SER A 256 17.312 13.191 18.678 1.00 0.00 O +ATOM 2049 OG SER A 256 17.764 14.584 22.326 1.00 0.00 O +ATOM 2050 N THR A 257 17.544 15.268 19.430 1.00 0.00 N +ATOM 2051 CA THR A 257 16.581 15.873 18.517 1.00 0.00 C +ATOM 2052 C THR A 257 17.083 15.804 17.078 1.00 0.00 C +ATOM 2053 CB THR A 257 16.296 17.338 18.894 1.00 0.00 C +ATOM 2054 O THR A 257 16.341 15.415 16.173 1.00 0.00 O +ATOM 2055 CG2 THR A 257 15.244 17.949 17.974 1.00 0.00 C +ATOM 2056 OG1 THR A 257 15.824 17.394 20.246 1.00 0.00 O +ATOM 2057 N GLN A 258 18.441 16.115 16.880 1.00 0.00 N +ATOM 2058 CA GLN A 258 19.033 16.024 15.549 1.00 0.00 C +ATOM 2059 C GLN A 258 18.992 14.591 15.026 1.00 0.00 C +ATOM 2060 CB GLN A 258 20.474 16.537 15.566 1.00 0.00 C +ATOM 2061 O GLN A 258 18.708 14.363 13.848 1.00 0.00 O +ATOM 2062 CG GLN A 258 20.592 18.032 15.826 1.00 0.00 C +ATOM 2063 CD GLN A 258 22.020 18.534 15.727 1.00 0.00 C +ATOM 2064 NE2 GLN A 258 22.247 19.767 16.168 1.00 0.00 N +ATOM 2065 OE1 GLN A 258 22.912 17.820 15.260 1.00 0.00 O +ATOM 2066 N LYS A 259 19.219 13.646 15.861 1.00 0.00 N +ATOM 2067 CA LYS A 259 19.146 12.232 15.504 1.00 0.00 C +ATOM 2068 C LYS A 259 17.716 11.825 15.159 1.00 0.00 C +ATOM 2069 CB LYS A 259 19.678 11.362 16.644 1.00 0.00 C +ATOM 2070 O LYS A 259 17.476 11.193 14.129 1.00 0.00 O +ATOM 2071 CG LYS A 259 19.747 9.879 16.311 1.00 0.00 C +ATOM 2072 CD LYS A 259 20.377 9.080 17.445 1.00 0.00 C +ATOM 2073 CE LYS A 259 20.447 7.596 17.112 1.00 0.00 C +ATOM 2074 NZ LYS A 259 21.110 6.815 18.200 1.00 0.00 N +ATOM 2075 N ALA A 260 16.791 12.215 15.918 1.00 0.00 N +ATOM 2076 CA ALA A 260 15.381 11.947 15.650 1.00 0.00 C +ATOM 2077 C ALA A 260 14.942 12.583 14.334 1.00 0.00 C +ATOM 2078 CB ALA A 260 14.514 12.458 16.799 1.00 0.00 C +ATOM 2079 O ALA A 260 14.274 11.941 13.520 1.00 0.00 O +ATOM 2080 N GLU A 261 15.423 13.839 14.052 1.00 0.00 N +ATOM 2081 CA GLU A 261 15.167 14.524 12.788 1.00 0.00 C +ATOM 2082 C GLU A 261 15.706 13.723 11.607 1.00 0.00 C +ATOM 2083 CB GLU A 261 15.786 15.924 12.801 1.00 0.00 C +ATOM 2084 O GLU A 261 14.985 13.473 10.639 1.00 0.00 O +ATOM 2085 CG GLU A 261 15.436 16.762 11.580 1.00 0.00 C +ATOM 2086 CD GLU A 261 16.177 18.089 11.531 1.00 0.00 C +ATOM 2087 OE1 GLU A 261 16.870 18.434 12.515 1.00 0.00 O +ATOM 2088 OE2 GLU A 261 16.061 18.790 10.501 1.00 0.00 O +ATOM 2089 N LYS A 262 16.876 13.287 11.685 1.00 0.00 N +ATOM 2090 CA LYS A 262 17.529 12.538 10.615 1.00 0.00 C +ATOM 2091 C LYS A 262 16.841 11.196 10.383 1.00 0.00 C +ATOM 2092 CB LYS A 262 19.008 12.319 10.939 1.00 0.00 C +ATOM 2093 O LYS A 262 16.649 10.781 9.239 1.00 0.00 O +ATOM 2094 CG LYS A 262 19.877 13.549 10.723 1.00 0.00 C +ATOM 2095 CD LYS A 262 21.311 13.307 11.178 1.00 0.00 C +ATOM 2096 CE LYS A 262 22.166 14.557 11.023 1.00 0.00 C +ATOM 2097 NZ LYS A 262 23.539 14.362 11.579 1.00 0.00 N +ATOM 2098 N GLU A 263 16.382 10.514 11.422 1.00 0.00 N +ATOM 2099 CA GLU A 263 15.701 9.227 11.316 1.00 0.00 C +ATOM 2100 C GLU A 263 14.326 9.381 10.674 1.00 0.00 C +ATOM 2101 CB GLU A 263 15.568 8.574 12.695 1.00 0.00 C +ATOM 2102 O GLU A 263 13.990 8.660 9.732 1.00 0.00 O +ATOM 2103 CG GLU A 263 16.860 7.958 13.211 1.00 0.00 C +ATOM 2104 CD GLU A 263 16.680 7.189 14.511 1.00 0.00 C +ATOM 2105 OE1 GLU A 263 15.580 7.250 15.105 1.00 0.00 O +ATOM 2106 OE2 GLU A 263 17.648 6.521 14.938 1.00 0.00 O +ATOM 2107 N VAL A 264 13.591 10.359 11.029 1.00 0.00 N +ATOM 2108 CA VAL A 264 12.262 10.616 10.484 1.00 0.00 C +ATOM 2109 C VAL A 264 12.379 11.107 9.043 1.00 0.00 C +ATOM 2110 CB VAL A 264 11.488 11.646 11.338 1.00 0.00 C +ATOM 2111 O VAL A 264 11.680 10.615 8.154 1.00 0.00 O +ATOM 2112 CG1 VAL A 264 10.194 12.062 10.640 1.00 0.00 C +ATOM 2113 CG2 VAL A 264 11.192 11.075 12.723 1.00 0.00 C +ATOM 2114 N SER A 265 13.301 12.072 8.800 1.00 0.00 N +ATOM 2115 CA SER A 265 13.537 12.543 7.439 1.00 0.00 C +ATOM 2116 C SER A 265 13.896 11.389 6.509 1.00 0.00 C +ATOM 2117 CB SER A 265 14.652 13.589 7.420 1.00 0.00 C +ATOM 2118 O SER A 265 13.331 11.263 5.421 1.00 0.00 O +ATOM 2119 OG SER A 265 14.292 14.722 8.192 1.00 0.00 O +ATOM 2120 N ARG A 266 14.771 10.586 6.953 1.00 0.00 N +ATOM 2121 CA ARG A 266 15.161 9.401 6.197 1.00 0.00 C +ATOM 2122 C ARG A 266 13.967 8.482 5.964 1.00 0.00 C +ATOM 2123 CB ARG A 266 16.273 8.641 6.923 1.00 0.00 C +ATOM 2124 O ARG A 266 13.763 7.989 4.853 1.00 0.00 O +ATOM 2125 CG ARG A 266 16.825 7.460 6.141 1.00 0.00 C +ATOM 2126 CD ARG A 266 17.947 6.759 6.894 1.00 0.00 C +ATOM 2127 NE ARG A 266 18.426 5.582 6.175 1.00 0.00 N +ATOM 2128 NH1 ARG A 266 20.029 5.022 7.741 1.00 0.00 N +ATOM 2129 NH2 ARG A 266 19.761 3.740 5.860 1.00 0.00 N +ATOM 2130 CZ ARG A 266 19.404 4.784 6.594 1.00 0.00 C +ATOM 2131 N MET A 267 13.168 8.265 6.903 1.00 0.00 N +ATOM 2132 CA MET A 267 11.967 7.442 6.800 1.00 0.00 C +ATOM 2133 C MET A 267 11.003 8.011 5.764 1.00 0.00 C +ATOM 2134 CB MET A 267 11.270 7.334 8.158 1.00 0.00 C +ATOM 2135 O MET A 267 10.522 7.284 4.893 1.00 0.00 O +ATOM 2136 CG MET A 267 10.060 6.414 8.156 1.00 0.00 C +ATOM 2137 SD MET A 267 9.222 6.351 9.787 1.00 0.00 S +ATOM 2138 CE MET A 267 8.444 7.990 9.811 1.00 0.00 C +ATOM 2139 N VAL A 268 10.773 9.285 5.792 1.00 0.00 N +ATOM 2140 CA VAL A 268 9.886 9.994 4.875 1.00 0.00 C +ATOM 2141 C VAL A 268 10.379 9.822 3.441 1.00 0.00 C +ATOM 2142 CB VAL A 268 9.786 11.495 5.229 1.00 0.00 C +ATOM 2143 O VAL A 268 9.616 9.421 2.559 1.00 0.00 O +ATOM 2144 CG1 VAL A 268 9.059 12.262 4.126 1.00 0.00 C +ATOM 2145 CG2 VAL A 268 9.078 11.681 6.570 1.00 0.00 C +ATOM 2146 N VAL A 269 11.632 10.100 3.245 1.00 1.27 N +ATOM 2147 CA VAL A 269 12.231 10.026 1.916 1.00 1.27 C +ATOM 2148 C VAL A 269 12.146 8.595 1.390 1.00 1.27 C +ATOM 2149 CB VAL A 269 13.700 10.503 1.928 1.00 1.27 C +ATOM 2150 O VAL A 269 11.718 8.369 0.256 1.00 1.27 O +ATOM 2151 CG1 VAL A 269 14.387 10.167 0.606 1.00 1.27 C +ATOM 2152 CG2 VAL A 269 13.771 12.004 2.205 1.00 1.27 C +ATOM 2153 N VAL A 270 12.402 7.580 2.221 1.00 0.00 N +ATOM 2154 CA VAL A 270 12.383 6.180 1.811 1.00 0.00 C +ATOM 2155 C VAL A 270 10.951 5.756 1.490 1.00 0.00 C +ATOM 2156 CB VAL A 270 12.979 5.261 2.901 1.00 0.00 C +ATOM 2157 O VAL A 270 10.707 5.087 0.483 1.00 0.00 O +ATOM 2158 CG1 VAL A 270 12.711 3.793 2.575 1.00 0.00 C +ATOM 2159 CG2 VAL A 270 14.478 5.513 3.048 1.00 0.00 C +ATOM 2160 N MET A 271 9.993 6.199 2.206 1.00 0.29 N +ATOM 2161 CA MET A 271 8.589 5.872 1.978 1.00 0.29 C +ATOM 2162 C MET A 271 8.085 6.508 0.687 1.00 0.29 C +ATOM 2163 CB MET A 271 7.730 6.332 3.157 1.00 0.29 C +ATOM 2164 O MET A 271 7.470 5.835 -0.143 1.00 0.29 O +ATOM 2165 CG MET A 271 7.884 5.471 4.400 1.00 0.29 C +ATOM 2166 SD MET A 271 6.763 5.989 5.757 1.00 0.29 S +ATOM 2167 CE MET A 271 5.188 5.331 5.140 1.00 0.29 C +ATOM 2168 N ILE A 272 8.334 7.789 0.477 1.00 0.00 N +ATOM 2169 CA ILE A 272 7.935 8.503 -0.731 1.00 0.00 C +ATOM 2170 C ILE A 272 8.591 7.859 -1.951 1.00 0.00 C +ATOM 2171 CB ILE A 272 8.305 10.001 -0.651 1.00 0.00 C +ATOM 2172 O ILE A 272 7.925 7.593 -2.954 1.00 0.00 O +ATOM 2173 CG1 ILE A 272 7.421 10.715 0.378 1.00 0.00 C +ATOM 2174 CG2 ILE A 272 8.186 10.661 -2.028 1.00 0.00 C +ATOM 2175 CD1 ILE A 272 7.865 12.137 0.694 1.00 0.00 C +ATOM 2176 N LEU A 273 9.919 7.530 -1.842 1.00 0.06 N +ATOM 2177 CA LEU A 273 10.653 6.909 -2.939 1.00 0.06 C +ATOM 2178 C LEU A 273 10.121 5.509 -3.226 1.00 0.06 C +ATOM 2179 CB LEU A 273 12.148 6.844 -2.614 1.00 0.06 C +ATOM 2180 O LEU A 273 9.892 5.152 -4.384 1.00 0.06 O +ATOM 2181 CG LEU A 273 12.904 8.173 -2.631 1.00 0.06 C +ATOM 2182 CD1 LEU A 273 14.352 7.964 -2.197 1.00 0.06 C +ATOM 2183 CD2 LEU A 273 12.842 8.807 -4.016 1.00 0.06 C +ATOM 2184 N ALA A 274 9.915 4.672 -2.230 1.00 0.00 N +ATOM 2185 CA ALA A 274 9.348 3.334 -2.378 1.00 0.00 C +ATOM 2186 C ALA A 274 7.978 3.389 -3.048 1.00 0.00 C +ATOM 2187 CB ALA A 274 9.246 2.646 -1.019 1.00 0.00 C +ATOM 2188 O ALA A 274 7.707 2.634 -3.984 1.00 0.00 O +ATOM 2189 N TYR A 275 7.258 4.314 -2.732 1.00 19.20 N +ATOM 2190 CA TYR A 275 5.933 4.511 -3.310 1.00 19.20 C +ATOM 2191 C TYR A 275 6.034 4.967 -4.761 1.00 19.20 C +ATOM 2192 CB TYR A 275 5.137 5.534 -2.495 1.00 19.20 C +ATOM 2193 O TYR A 275 5.383 4.402 -5.643 1.00 19.20 O +ATOM 2194 CG TYR A 275 3.666 5.566 -2.831 1.00 19.20 C +ATOM 2195 CD1 TYR A 275 3.180 6.395 -3.840 1.00 19.20 C +ATOM 2196 CD2 TYR A 275 2.759 4.769 -2.141 1.00 19.20 C +ATOM 2197 CE1 TYR A 275 1.825 6.429 -4.152 1.00 19.20 C +ATOM 2198 CE2 TYR A 275 1.402 4.795 -2.444 1.00 19.20 C +ATOM 2199 OH TYR A 275 -0.397 5.656 -3.755 1.00 19.20 O +ATOM 2200 CZ TYR A 275 0.945 5.626 -3.450 1.00 19.20 C +ATOM 2201 N CYS A 276 6.721 6.128 -4.992 1.00 0.06 N +ATOM 2202 CA CYS A 276 6.923 6.641 -6.342 1.00 0.06 C +ATOM 2203 C CYS A 276 7.479 5.558 -7.259 1.00 0.06 C +ATOM 2204 CB CYS A 276 7.869 7.841 -6.323 1.00 0.06 C +ATOM 2205 O CYS A 276 7.075 5.453 -8.418 1.00 0.06 O +ATOM 2206 SG CYS A 276 7.144 9.328 -5.598 1.00 0.06 S +ATOM 2207 N PHE A 277 8.330 4.703 -6.712 1.00 0.04 N +ATOM 2208 CA PHE A 277 8.942 3.616 -7.467 1.00 0.04 C +ATOM 2209 C PHE A 277 7.926 2.518 -7.757 1.00 0.04 C +ATOM 2210 CB PHE A 277 10.138 3.037 -6.705 1.00 0.04 C +ATOM 2211 O PHE A 277 7.880 1.984 -8.867 1.00 0.04 O +ATOM 2212 CG PHE A 277 10.840 1.922 -7.432 1.00 0.04 C +ATOM 2213 CD1 PHE A 277 11.715 2.197 -8.476 1.00 0.04 C +ATOM 2214 CD2 PHE A 277 10.623 0.598 -7.073 1.00 0.04 C +ATOM 2215 CE1 PHE A 277 12.366 1.167 -9.151 1.00 0.04 C +ATOM 2216 CE2 PHE A 277 11.270 -0.436 -7.743 1.00 0.04 C +ATOM 2217 CZ PHE A 277 12.140 -0.150 -8.782 1.00 0.04 C +ATOM 2218 N CYS A 278 6.976 2.172 -6.899 1.00 0.00 N +ATOM 2219 CA CYS A 278 6.036 1.064 -7.025 1.00 0.00 C +ATOM 2220 C CYS A 278 4.786 1.493 -7.784 1.00 0.00 C +ATOM 2221 CB CYS A 278 5.649 0.530 -5.646 1.00 0.00 C +ATOM 2222 O CYS A 278 4.355 0.810 -8.715 1.00 0.00 O +ATOM 2223 SG CYS A 278 7.006 -0.279 -4.771 1.00 0.00 S +ATOM 2224 N TRP A 279 4.268 2.663 -7.477 1.00 2.20 N +ATOM 2225 CA TRP A 279 2.954 3.082 -7.956 1.00 2.20 C +ATOM 2226 C TRP A 279 3.085 4.123 -9.063 1.00 2.20 C +ATOM 2227 CB TRP A 279 2.117 3.646 -6.804 1.00 2.20 C +ATOM 2228 O TRP A 279 2.165 4.305 -9.864 1.00 2.20 O +ATOM 2229 CG TRP A 279 1.588 2.601 -5.868 1.00 2.20 C +ATOM 2230 CD1 TRP A 279 2.123 2.224 -4.667 1.00 2.20 C +ATOM 2231 CD2 TRP A 279 0.421 1.795 -6.058 1.00 2.20 C +ATOM 2232 CE2 TRP A 279 0.309 0.951 -4.931 1.00 2.20 C +ATOM 2233 CE3 TRP A 279 -0.542 1.706 -7.072 1.00 2.20 C +ATOM 2234 NE1 TRP A 279 1.358 1.232 -4.099 1.00 2.20 N +ATOM 2235 CH2 TRP A 279 -1.659 -0.040 -5.798 1.00 2.20 C +ATOM 2236 CZ2 TRP A 279 -0.730 0.027 -4.791 1.00 2.20 C +ATOM 2237 CZ3 TRP A 279 -1.575 0.787 -6.931 1.00 2.20 C +ATOM 2238 N GLY A 280 4.217 4.865 -9.134 1.00 0.83 N +ATOM 2239 CA GLY A 280 4.471 5.866 -10.157 1.00 0.83 C +ATOM 2240 C GLY A 280 4.355 5.321 -11.568 1.00 0.83 C +ATOM 2241 O GLY A 280 3.560 5.818 -12.368 1.00 0.83 O +ATOM 2242 N PRO A 281 5.113 4.169 -11.891 1.00 0.00 N +ATOM 2243 CA PRO A 281 4.975 3.566 -13.219 1.00 0.00 C +ATOM 2244 C PRO A 281 3.547 3.112 -13.516 1.00 0.00 C +ATOM 2245 CB PRO A 281 5.928 2.370 -13.164 1.00 0.00 C +ATOM 2246 O PRO A 281 3.032 3.360 -14.609 1.00 0.00 O +ATOM 2247 CG PRO A 281 6.985 2.768 -12.186 1.00 0.00 C +ATOM 2248 CD PRO A 281 6.337 3.535 -11.069 1.00 0.00 C +ATOM 2249 N TYR A 282 2.846 2.465 -12.564 1.00 0.00 N +ATOM 2250 CA TYR A 282 1.459 2.038 -12.705 1.00 0.00 C +ATOM 2251 C TYR A 282 0.548 3.227 -12.988 1.00 0.00 C +ATOM 2252 CB TYR A 282 0.989 1.310 -11.442 1.00 0.00 C +ATOM 2253 O TYR A 282 -0.188 3.231 -13.978 1.00 0.00 O +ATOM 2254 CG TYR A 282 -0.425 0.789 -11.532 1.00 0.00 C +ATOM 2255 CD1 TYR A 282 -0.702 -0.427 -12.154 1.00 0.00 C +ATOM 2256 CD2 TYR A 282 -1.486 1.510 -10.997 1.00 0.00 C +ATOM 2257 CE1 TYR A 282 -2.003 -0.910 -12.242 1.00 0.00 C +ATOM 2258 CE2 TYR A 282 -2.792 1.037 -11.078 1.00 0.00 C +ATOM 2259 OH TYR A 282 -4.330 -0.647 -11.785 1.00 0.00 O +ATOM 2260 CZ TYR A 282 -3.040 -0.173 -11.701 1.00 0.00 C +ATOM 2261 N THR A 283 0.631 4.308 -12.170 1.00 27.94 N +ATOM 2262 CA THR A 283 -0.131 5.541 -12.331 1.00 27.94 C +ATOM 2263 C THR A 283 0.158 6.182 -13.685 1.00 27.94 C +ATOM 2264 CB THR A 283 0.186 6.544 -11.207 1.00 27.94 C +ATOM 2265 O THR A 283 -0.765 6.558 -14.410 1.00 27.94 O +ATOM 2266 CG2 THR A 283 -0.658 7.807 -11.343 1.00 27.94 C +ATOM 2267 OG1 THR A 283 -0.087 5.934 -9.939 1.00 27.94 O +ATOM 2268 N PHE A 284 1.425 6.271 -14.078 1.00 0.00 N +ATOM 2269 CA PHE A 284 1.839 6.825 -15.362 1.00 0.00 C +ATOM 2270 C PHE A 284 1.223 6.040 -16.514 1.00 0.00 C +ATOM 2271 CB PHE A 284 3.366 6.823 -15.482 1.00 0.00 C +ATOM 2272 O PHE A 284 0.608 6.623 -17.409 1.00 0.00 O +ATOM 2273 CG PHE A 284 3.868 7.220 -16.844 1.00 0.00 C +ATOM 2274 CD1 PHE A 284 3.986 8.560 -17.193 1.00 0.00 C +ATOM 2275 CD2 PHE A 284 4.223 6.253 -17.775 1.00 0.00 C +ATOM 2276 CE1 PHE A 284 4.451 8.930 -18.453 1.00 0.00 C +ATOM 2277 CE2 PHE A 284 4.688 6.615 -19.036 1.00 0.00 C +ATOM 2278 CZ PHE A 284 4.800 7.954 -19.374 1.00 0.00 C +ATOM 2279 N PHE A 285 1.274 4.755 -16.482 1.00 4.48 N +ATOM 2280 CA PHE A 285 0.775 3.909 -17.559 1.00 4.48 C +ATOM 2281 C PHE A 285 -0.745 3.988 -17.649 1.00 4.48 C +ATOM 2282 CB PHE A 285 1.213 2.456 -17.351 1.00 4.48 C +ATOM 2283 O PHE A 285 -1.303 4.078 -18.745 1.00 4.48 O +ATOM 2284 CG PHE A 285 2.513 2.111 -18.026 1.00 4.48 C +ATOM 2285 CD1 PHE A 285 2.529 1.623 -19.327 1.00 4.48 C +ATOM 2286 CD2 PHE A 285 3.720 2.276 -17.360 1.00 4.48 C +ATOM 2287 CE1 PHE A 285 3.730 1.304 -19.955 1.00 4.48 C +ATOM 2288 CE2 PHE A 285 4.925 1.959 -17.981 1.00 4.48 C +ATOM 2289 CZ PHE A 285 4.928 1.472 -19.278 1.00 4.48 C +ATOM 2290 N VAL A 286 -1.458 4.007 -16.538 1.00 0.00 N +ATOM 2291 CA VAL A 286 -2.912 4.132 -16.537 1.00 0.00 C +ATOM 2292 C VAL A 286 -3.312 5.523 -17.022 1.00 0.00 C +ATOM 2293 CB VAL A 286 -3.505 3.864 -15.136 1.00 0.00 C +ATOM 2294 O VAL A 286 -4.174 5.661 -17.893 1.00 0.00 O +ATOM 2295 CG1 VAL A 286 -5.000 4.174 -15.114 1.00 0.00 C +ATOM 2296 CG2 VAL A 286 -3.248 2.418 -14.716 1.00 0.00 C +ATOM 2297 N CYS A 287 -2.669 6.638 -16.589 1.00 0.00 N +ATOM 2298 CA CYS A 287 -2.917 8.001 -17.044 1.00 0.00 C +ATOM 2299 C CYS A 287 -2.637 8.138 -18.536 1.00 0.00 C +ATOM 2300 CB CYS A 287 -2.058 8.993 -16.261 1.00 0.00 C +ATOM 2301 O CYS A 287 -3.457 8.679 -19.279 1.00 0.00 O +ATOM 2302 SG CYS A 287 -2.588 9.224 -14.550 1.00 0.00 S +ATOM 2303 N PHE A 288 -1.523 7.590 -18.969 1.00 0.02 N +ATOM 2304 CA PHE A 288 -1.123 7.646 -20.371 1.00 0.02 C +ATOM 2305 C PHE A 288 -2.088 6.852 -21.242 1.00 0.02 C +ATOM 2306 CB PHE A 288 0.303 7.113 -20.546 1.00 0.02 C +ATOM 2307 O PHE A 288 -2.595 7.364 -22.242 1.00 0.02 O +ATOM 2308 CG PHE A 288 0.846 7.280 -21.939 1.00 0.02 C +ATOM 2309 CD1 PHE A 288 1.587 8.404 -22.282 1.00 0.02 C +ATOM 2310 CD2 PHE A 288 0.615 6.311 -22.908 1.00 0.02 C +ATOM 2311 CE1 PHE A 288 2.091 8.561 -23.571 1.00 0.02 C +ATOM 2312 CE2 PHE A 288 1.115 6.461 -24.198 1.00 0.02 C +ATOM 2313 CZ PHE A 288 1.852 7.587 -24.528 1.00 0.02 C +ATOM 2314 N GLY A 289 -2.420 5.585 -20.868 1.00 3.31 N +ATOM 2315 CA GLY A 289 -3.387 4.770 -21.585 1.00 3.31 C +ATOM 2316 C GLY A 289 -4.769 5.395 -21.641 1.00 3.31 C +ATOM 2317 O GLY A 289 -5.443 5.332 -22.671 1.00 3.31 O +ATOM 2318 N THR A 290 -5.209 6.144 -20.608 1.00 0.29 N +ATOM 2319 CA THR A 290 -6.474 6.870 -20.561 1.00 0.29 C +ATOM 2320 C THR A 290 -6.415 8.117 -21.439 1.00 0.29 C +ATOM 2321 CB THR A 290 -6.836 7.270 -19.119 1.00 0.29 C +ATOM 2322 O THR A 290 -7.397 8.468 -22.095 1.00 0.29 O +ATOM 2323 CG2 THR A 290 -8.202 7.946 -19.062 1.00 0.29 C +ATOM 2324 OG1 THR A 290 -6.860 6.098 -18.296 1.00 0.29 O +ATOM 2325 N ALA A 291 -5.244 8.819 -21.562 1.00 0.01 N +ATOM 2326 CA ALA A 291 -5.055 10.042 -22.338 1.00 0.01 C +ATOM 2327 C ALA A 291 -4.887 9.730 -23.822 1.00 0.01 C +ATOM 2328 CB ALA A 291 -3.847 10.820 -21.821 1.00 0.01 C +ATOM 2329 O ALA A 291 -5.302 10.514 -24.679 1.00 0.01 O +ATOM 2330 N TYR A 292 -4.344 8.617 -24.100 1.00 0.57 N +ATOM 2331 CA TYR A 292 -4.043 8.224 -25.472 1.00 0.57 C +ATOM 2332 C TYR A 292 -4.643 6.860 -25.792 1.00 0.57 C +ATOM 2333 CB TYR A 292 -2.529 8.196 -25.704 1.00 0.57 C +ATOM 2334 O TYR A 292 -3.913 5.891 -26.013 1.00 0.57 O +ATOM 2335 CG TYR A 292 -1.853 9.524 -25.464 1.00 0.57 C +ATOM 2336 CD1 TYR A 292 -1.868 10.521 -26.437 1.00 0.57 C +ATOM 2337 CD2 TYR A 292 -1.198 9.785 -24.265 1.00 0.57 C +ATOM 2338 CE1 TYR A 292 -1.245 11.746 -26.222 1.00 0.57 C +ATOM 2339 CE2 TYR A 292 -0.572 11.006 -24.039 1.00 0.57 C +ATOM 2340 OH TYR A 292 0.017 13.190 -24.803 1.00 0.57 O +ATOM 2341 CZ TYR A 292 -0.601 11.979 -25.022 1.00 0.57 C +ATOM 2342 N PRO A 293 -5.996 6.929 -25.844 1.00 0.97 N +ATOM 2343 CA PRO A 293 -6.661 5.685 -26.239 1.00 0.97 C +ATOM 2344 C PRO A 293 -6.231 5.199 -27.621 1.00 0.97 C +ATOM 2345 CB PRO A 293 -8.145 6.061 -26.230 1.00 0.97 C +ATOM 2346 O PRO A 293 -6.055 6.007 -28.537 1.00 0.97 O +ATOM 2347 CG PRO A 293 -8.170 7.526 -26.522 1.00 0.97 C +ATOM 2348 CD PRO A 293 -6.927 8.148 -25.952 1.00 0.97 C +ATOM 2349 N GLY A 294 -5.857 4.060 -27.867 1.00 0.00 N +ATOM 2350 CA GLY A 294 -5.405 3.457 -29.111 1.00 0.00 C +ATOM 2351 C GLY A 294 -3.901 3.260 -29.166 1.00 0.00 C +ATOM 2352 O GLY A 294 -3.393 2.565 -30.049 1.00 0.00 O +ATOM 2353 N TYR A 295 -3.231 3.957 -28.271 1.00 0.33 N +ATOM 2354 CA TYR A 295 -1.815 3.624 -28.166 1.00 0.33 C +ATOM 2355 C TYR A 295 -1.625 2.199 -27.659 1.00 0.33 C +ATOM 2356 CB TYR A 295 -1.098 4.608 -27.237 1.00 0.33 C +ATOM 2357 O TYR A 295 -1.803 1.928 -26.469 1.00 0.33 O +ATOM 2358 CG TYR A 295 0.404 4.463 -27.241 1.00 0.33 C +ATOM 2359 CD1 TYR A 295 1.046 3.624 -26.333 1.00 0.33 C +ATOM 2360 CD2 TYR A 295 1.185 5.166 -28.152 1.00 0.33 C +ATOM 2361 CE1 TYR A 295 2.430 3.489 -26.332 1.00 0.33 C +ATOM 2362 CE2 TYR A 295 2.571 5.038 -28.161 1.00 0.33 C +ATOM 2363 OH TYR A 295 4.554 4.069 -27.253 1.00 0.33 O +ATOM 2364 CZ TYR A 295 3.183 4.198 -27.249 1.00 0.33 C +ATOM 2365 N ALA A 296 -1.349 1.278 -28.488 1.00 0.30 N +ATOM 2366 CA ALA A 296 -1.062 -0.109 -28.132 1.00 0.30 C +ATOM 2367 C ALA A 296 0.293 -0.228 -27.439 1.00 0.30 C +ATOM 2368 CB ALA A 296 -1.101 -0.996 -29.374 1.00 0.30 C +ATOM 2369 O ALA A 296 1.335 -0.231 -28.097 1.00 0.30 O +ATOM 2370 N PHE A 297 0.222 -0.242 -26.157 1.00 0.00 N +ATOM 2371 CA PHE A 297 1.442 -0.598 -25.442 1.00 0.00 C +ATOM 2372 C PHE A 297 1.892 -2.007 -25.809 1.00 0.00 C +ATOM 2373 CB PHE A 297 1.230 -0.493 -23.928 1.00 0.00 C +ATOM 2374 O PHE A 297 1.066 -2.908 -25.966 1.00 0.00 O +ATOM 2375 CG PHE A 297 1.112 0.922 -23.429 1.00 0.00 C +ATOM 2376 CD1 PHE A 297 2.247 1.694 -23.211 1.00 0.00 C +ATOM 2377 CD2 PHE A 297 -0.135 1.481 -23.178 1.00 0.00 C +ATOM 2378 CE1 PHE A 297 2.141 3.003 -22.748 1.00 0.00 C +ATOM 2379 CE2 PHE A 297 -0.249 2.789 -22.716 1.00 0.00 C +ATOM 2380 CZ PHE A 297 0.890 3.548 -22.501 1.00 0.00 C +ATOM 2381 N HIS A 298 3.214 -2.170 -25.950 1.00 2.19 N +ATOM 2382 CA HIS A 298 3.762 -3.522 -25.938 1.00 2.19 C +ATOM 2383 C HIS A 298 3.280 -4.300 -24.719 1.00 2.19 C +ATOM 2384 CB HIS A 298 5.291 -3.480 -25.964 1.00 2.19 C +ATOM 2385 O HIS A 298 3.276 -3.775 -23.603 1.00 2.19 O +ATOM 2386 CG HIS A 298 5.924 -4.816 -26.193 1.00 2.19 C +ATOM 2387 CD2 HIS A 298 6.292 -5.441 -27.335 1.00 2.19 C +ATOM 2388 ND1 HIS A 298 6.244 -5.673 -25.163 1.00 2.19 N +ATOM 2389 CE1 HIS A 298 6.785 -6.771 -25.664 1.00 2.19 C +ATOM 2390 NE2 HIS A 298 6.825 -6.656 -26.980 1.00 2.19 N +ATOM 2391 N PRO A 299 2.836 -5.526 -24.730 1.00 0.00 N +ATOM 2392 CA PRO A 299 2.226 -6.274 -23.629 1.00 0.00 C +ATOM 2393 C PRO A 299 3.111 -6.321 -22.385 1.00 0.00 C +ATOM 2394 CB PRO A 299 2.036 -7.675 -24.217 1.00 0.00 C +ATOM 2395 O PRO A 299 2.612 -6.209 -21.263 1.00 0.00 O +ATOM 2396 CG PRO A 299 1.808 -7.448 -25.677 1.00 0.00 C +ATOM 2397 CD PRO A 299 2.688 -6.317 -26.127 1.00 0.00 C +ATOM 2398 N LEU A 300 4.407 -6.319 -22.607 1.00100.00 N +ATOM 2399 CA LEU A 300 5.362 -6.301 -21.505 1.00100.00 C +ATOM 2400 C LEU A 300 5.342 -4.954 -20.790 1.00100.00 C +ATOM 2401 CB LEU A 300 6.774 -6.600 -22.015 1.00100.00 C +ATOM 2402 O LEU A 300 5.325 -4.900 -19.558 1.00100.00 O +ATOM 2403 CG LEU A 300 7.879 -6.653 -20.958 1.00100.00 C +ATOM 2404 CD1 LEU A 300 7.621 -7.791 -19.978 1.00100.00 C +ATOM 2405 CD2 LEU A 300 9.245 -6.809 -21.620 1.00100.00 C +ATOM 2406 N ALA A 301 5.283 -3.891 -21.484 1.00 0.02 N +ATOM 2407 CA ALA A 301 5.209 -2.541 -20.932 1.00 0.02 C +ATOM 2408 C ALA A 301 3.906 -2.332 -20.166 1.00 0.02 C +ATOM 2409 CB ALA A 301 5.342 -1.504 -22.044 1.00 0.02 C +ATOM 2410 O ALA A 301 3.894 -1.695 -19.110 1.00 0.02 O +ATOM 2411 N ALA A 302 2.843 -2.981 -20.577 1.00 0.00 N +ATOM 2412 CA ALA A 302 1.531 -2.896 -19.940 1.00 0.00 C +ATOM 2413 C ALA A 302 1.483 -3.739 -18.668 1.00 0.00 C +ATOM 2414 CB ALA A 302 0.439 -3.339 -20.910 1.00 0.00 C +ATOM 2415 O ALA A 302 0.835 -3.361 -17.690 1.00 0.00 O +ATOM 2416 N ALA A 303 2.253 -4.819 -18.610 1.00 0.36 N +ATOM 2417 CA ALA A 303 2.266 -5.731 -17.469 1.00 0.36 C +ATOM 2418 C ALA A 303 3.212 -5.234 -16.380 1.00 0.36 C +ATOM 2419 CB ALA A 303 2.663 -7.136 -17.914 1.00 0.36 C +ATOM 2420 O ALA A 303 2.939 -5.397 -15.189 1.00 0.36 O +ATOM 2421 N MET A 304 4.332 -4.586 -16.729 1.00 0.00 N +ATOM 2422 CA MET A 304 5.421 -4.211 -15.832 1.00 0.00 C +ATOM 2423 C MET A 304 4.915 -3.318 -14.704 1.00 0.00 C +ATOM 2424 CB MET A 304 6.532 -3.498 -16.605 1.00 0.00 C +ATOM 2425 O MET A 304 5.237 -3.543 -13.536 1.00 0.00 O +ATOM 2426 CG MET A 304 7.449 -4.440 -17.369 1.00 0.00 C +ATOM 2427 SD MET A 304 8.326 -5.615 -16.266 1.00 0.00 S +ATOM 2428 CE MET A 304 9.479 -4.482 -15.442 1.00 0.00 C +ATOM 2429 N PRO A 305 4.024 -2.377 -14.907 1.00 0.00 N +ATOM 2430 CA PRO A 305 3.509 -1.527 -13.832 1.00 0.00 C +ATOM 2431 C PRO A 305 2.722 -2.312 -12.784 1.00 0.00 C +ATOM 2432 CB PRO A 305 2.601 -0.538 -14.568 1.00 0.00 C +ATOM 2433 O PRO A 305 2.855 -2.053 -11.585 1.00 0.00 O +ATOM 2434 CG PRO A 305 3.187 -0.430 -15.939 1.00 0.00 C +ATOM 2435 CD PRO A 305 3.673 -1.788 -16.358 1.00 0.00 C +ATOM 2436 N ALA A 306 1.968 -3.311 -13.191 1.00 7.43 N +ATOM 2437 CA ALA A 306 1.240 -4.176 -12.265 1.00 7.43 C +ATOM 2438 C ALA A 306 2.202 -4.994 -11.408 1.00 7.43 C +ATOM 2439 CB ALA A 306 0.297 -5.101 -13.031 1.00 7.43 C +ATOM 2440 O ALA A 306 2.006 -5.126 -10.198 1.00 7.43 O +ATOM 2441 N TYR A 307 3.339 -5.371 -11.983 1.00 0.15 N +ATOM 2442 CA TYR A 307 4.372 -6.105 -11.261 1.00 0.15 C +ATOM 2443 C TYR A 307 5.095 -5.200 -10.271 1.00 0.15 C +ATOM 2444 CB TYR A 307 5.379 -6.717 -12.239 1.00 0.15 C +ATOM 2445 O TYR A 307 5.366 -5.601 -9.137 1.00 0.15 O +ATOM 2446 CG TYR A 307 4.791 -7.790 -13.124 1.00 0.15 C +ATOM 2447 CD1 TYR A 307 4.033 -8.827 -12.584 1.00 0.15 C +ATOM 2448 CD2 TYR A 307 4.993 -7.771 -14.499 1.00 0.15 C +ATOM 2449 CE1 TYR A 307 3.491 -9.819 -13.394 1.00 0.15 C +ATOM 2450 CE2 TYR A 307 4.456 -8.757 -15.319 1.00 0.15 C +ATOM 2451 OH TYR A 307 3.172 -10.755 -15.566 1.00 0.15 O +ATOM 2452 CZ TYR A 307 3.707 -9.775 -14.759 1.00 0.15 C +ATOM 2453 N PHE A 308 5.336 -3.946 -10.643 1.00 0.00 N +ATOM 2454 CA PHE A 308 5.936 -2.959 -9.752 1.00 0.00 C +ATOM 2455 C PHE A 308 4.990 -2.619 -8.606 1.00 0.00 C +ATOM 2456 CB PHE A 308 6.302 -1.688 -10.525 1.00 0.00 C +ATOM 2457 O PHE A 308 5.391 -2.629 -7.441 1.00 0.00 O +ATOM 2458 CG PHE A 308 7.570 -1.809 -11.327 1.00 0.00 C +ATOM 2459 CD1 PHE A 308 8.783 -2.066 -10.700 1.00 0.00 C +ATOM 2460 CD2 PHE A 308 7.549 -1.666 -12.708 1.00 0.00 C +ATOM 2461 CE1 PHE A 308 9.959 -2.178 -11.439 1.00 0.00 C +ATOM 2462 CE2 PHE A 308 8.719 -1.778 -13.453 1.00 0.00 C +ATOM 2463 CZ PHE A 308 9.923 -2.033 -12.817 1.00 0.00 C +ATOM 2464 N ALA A 309 3.714 -2.449 -8.863 1.00 0.00 N +ATOM 2465 CA ALA A 309 2.710 -2.169 -7.840 1.00 0.00 C +ATOM 2466 C ALA A 309 2.604 -3.321 -6.846 1.00 0.00 C +ATOM 2467 CB ALA A 309 1.353 -1.900 -8.486 1.00 0.00 C +ATOM 2468 O ALA A 309 2.639 -3.108 -5.632 1.00 0.00 O +ATOM 2469 N LYS A 310 2.721 -4.530 -7.297 1.00 0.00 N +ATOM 2470 CA LYS A 310 2.671 -5.716 -6.446 1.00 0.00 C +ATOM 2471 C LYS A 310 3.936 -5.841 -5.603 1.00 0.00 C +ATOM 2472 CB LYS A 310 2.477 -6.975 -7.292 1.00 0.00 C +ATOM 2473 O LYS A 310 3.893 -6.349 -4.480 1.00 0.00 O +ATOM 2474 CG LYS A 310 1.080 -7.119 -7.878 1.00 0.00 C +ATOM 2475 CD LYS A 310 0.961 -8.372 -8.736 1.00 0.00 C +ATOM 2476 CE LYS A 310 -0.452 -8.547 -9.277 1.00 0.00 C +ATOM 2477 NZ LYS A 310 -0.599 -9.822 -10.040 1.00 0.00 N +ATOM 2478 N SER A 311 5.095 -5.358 -6.061 1.00 0.24 N +ATOM 2479 CA SER A 311 6.335 -5.357 -5.291 1.00 0.24 C +ATOM 2480 C SER A 311 6.231 -4.439 -4.077 1.00 0.24 C +ATOM 2481 CB SER A 311 7.511 -4.926 -6.168 1.00 0.24 C +ATOM 2482 O SER A 311 6.964 -4.608 -3.100 1.00 0.24 O +ATOM 2483 OG SER A 311 7.635 -5.774 -7.296 1.00 0.24 O +ATOM 2484 N ALA A 312 5.260 -3.546 -4.060 1.00 0.00 N +ATOM 2485 CA ALA A 312 4.994 -2.675 -2.919 1.00 0.00 C +ATOM 2486 C ALA A 312 4.632 -3.489 -1.680 1.00 0.00 C +ATOM 2487 CB ALA A 312 3.874 -1.691 -3.251 1.00 0.00 C +ATOM 2488 O ALA A 312 5.054 -3.160 -0.569 1.00 0.00 O +ATOM 2489 N THR A 313 3.980 -4.627 -1.828 1.00 0.13 N +ATOM 2490 CA THR A 313 3.516 -5.485 -0.743 1.00 0.13 C +ATOM 2491 C THR A 313 4.697 -6.106 -0.003 1.00 0.13 C +ATOM 2492 CB THR A 313 2.593 -6.600 -1.269 1.00 0.13 C +ATOM 2493 O THR A 313 4.577 -6.478 1.167 1.00 0.13 O +ATOM 2494 CG2 THR A 313 1.411 -6.019 -2.036 1.00 0.13 C +ATOM 2495 OG1 THR A 313 3.339 -7.459 -2.141 1.00 0.13 O +ATOM 2496 N ILE A 314 5.908 -6.149 -0.632 1.00 0.00 N +ATOM 2497 CA ILE A 314 7.150 -6.610 -0.021 1.00 0.00 C +ATOM 2498 C ILE A 314 7.828 -5.452 0.706 1.00 0.00 C +ATOM 2499 CB ILE A 314 8.106 -7.216 -1.073 1.00 0.00 C +ATOM 2500 O ILE A 314 8.317 -5.615 1.827 1.00 0.00 O +ATOM 2501 CG1 ILE A 314 7.429 -8.385 -1.799 1.00 0.00 C +ATOM 2502 CG2 ILE A 314 9.416 -7.662 -0.418 1.00 0.00 C +ATOM 2503 CD1 ILE A 314 8.175 -8.859 -3.038 1.00 0.00 C +ATOM 2504 N TYR A 315 7.836 -4.266 0.138 1.00 0.00 N +ATOM 2505 CA TYR A 315 8.609 -3.127 0.621 1.00 0.00 C +ATOM 2506 C TYR A 315 7.941 -2.490 1.834 1.00 0.00 C +ATOM 2507 CB TYR A 315 8.780 -2.084 -0.488 1.00 0.00 C +ATOM 2508 O TYR A 315 8.621 -2.020 2.749 1.00 0.00 O +ATOM 2509 CG TYR A 315 9.644 -2.553 -1.634 1.00 0.00 C +ATOM 2510 CD1 TYR A 315 10.972 -2.918 -1.426 1.00 0.00 C +ATOM 2511 CD2 TYR A 315 9.135 -2.631 -2.925 1.00 0.00 C +ATOM 2512 CE1 TYR A 315 11.773 -3.349 -2.479 1.00 0.00 C +ATOM 2513 CE2 TYR A 315 9.926 -3.061 -3.986 1.00 0.00 C +ATOM 2514 OH TYR A 315 12.029 -3.843 -4.799 1.00 0.00 O +ATOM 2515 CZ TYR A 315 11.241 -3.417 -3.753 1.00 0.00 C +ATOM 2516 N ASN A 316 6.638 -2.474 1.841 1.00 0.00 N +ATOM 2517 CA ASN A 316 5.905 -1.814 2.917 1.00 0.00 C +ATOM 2518 C ASN A 316 6.285 -2.378 4.283 1.00 0.00 C +ATOM 2519 CB ASN A 316 4.397 -1.938 2.692 1.00 0.00 C +ATOM 2520 O ASN A 316 6.790 -1.652 5.140 1.00 0.00 O +ATOM 2521 CG ASN A 316 3.898 -1.048 1.571 1.00 0.00 C +ATOM 2522 ND2 ASN A 316 2.738 -1.383 1.019 1.00 0.00 N +ATOM 2523 OD1 ASN A 316 4.551 -0.068 1.202 1.00 0.00 O +ATOM 2524 N PRO A 317 6.214 -3.700 4.563 1.00 0.00 N +ATOM 2525 CA PRO A 317 6.606 -4.252 5.862 1.00 0.00 C +ATOM 2526 C PRO A 317 8.109 -4.154 6.115 1.00 0.00 C +ATOM 2527 CB PRO A 317 6.162 -5.714 5.773 1.00 0.00 C +ATOM 2528 O PRO A 317 8.534 -3.928 7.251 1.00 0.00 O +ATOM 2529 CG PRO A 317 6.082 -6.000 4.308 1.00 0.00 C +ATOM 2530 CD PRO A 317 5.676 -4.742 3.597 1.00 0.00 C +ATOM 2531 N ILE A 318 8.957 -4.280 5.060 1.00 0.02 N +ATOM 2532 CA ILE A 318 10.404 -4.154 5.195 1.00 0.02 C +ATOM 2533 C ILE A 318 10.758 -2.745 5.663 1.00 0.02 C +ATOM 2534 CB ILE A 318 11.126 -4.476 3.868 1.00 0.02 C +ATOM 2535 O ILE A 318 11.474 -2.574 6.653 1.00 0.02 O +ATOM 2536 CG1 ILE A 318 11.001 -5.968 3.539 1.00 0.02 C +ATOM 2537 CG2 ILE A 318 12.596 -4.051 3.936 1.00 0.02 C +ATOM 2538 CD1 ILE A 318 11.531 -6.346 2.163 1.00 0.02 C +ATOM 2539 N ILE A 319 10.229 -1.726 5.043 1.00 0.00 N +ATOM 2540 CA ILE A 319 10.450 -0.334 5.420 1.00 0.00 C +ATOM 2541 C ILE A 319 9.967 -0.104 6.851 1.00 0.00 C +ATOM 2542 CB ILE A 319 9.735 0.634 4.451 1.00 0.00 C +ATOM 2543 O ILE A 319 10.697 0.448 7.677 1.00 0.00 O +ATOM 2544 CG1 ILE A 319 10.421 0.622 3.081 1.00 0.00 C +ATOM 2545 CG2 ILE A 319 9.697 2.050 5.033 1.00 0.00 C +ATOM 2546 CD1 ILE A 319 9.618 1.300 1.980 1.00 0.00 C +ATOM 2547 N TYR A 320 8.883 -0.611 7.201 1.00 0.00 N +ATOM 2548 CA TYR A 320 8.316 -0.418 8.531 1.00 0.00 C +ATOM 2549 C TYR A 320 9.175 -1.093 9.594 1.00 0.00 C +ATOM 2550 CB TYR A 320 6.887 -0.966 8.590 1.00 0.00 C +ATOM 2551 O TYR A 320 9.496 -0.486 10.618 1.00 0.00 O +ATOM 2552 CG TYR A 320 6.227 -0.796 9.937 1.00 0.00 C +ATOM 2553 CD1 TYR A 320 6.275 -1.811 10.891 1.00 0.00 C +ATOM 2554 CD2 TYR A 320 5.554 0.377 10.259 1.00 0.00 C +ATOM 2555 CE1 TYR A 320 5.667 -1.660 12.133 1.00 0.00 C +ATOM 2556 CE2 TYR A 320 4.942 0.539 11.498 1.00 0.00 C +ATOM 2557 OH TYR A 320 4.401 -0.328 13.655 1.00 0.00 O +ATOM 2558 CZ TYR A 320 5.005 -0.483 12.427 1.00 0.00 C +ATOM 2559 N VAL A 321 9.602 -2.339 9.399 1.00 0.02 N +ATOM 2560 CA VAL A 321 10.453 -3.088 10.317 1.00 0.02 C +ATOM 2561 C VAL A 321 11.792 -2.372 10.482 1.00 0.02 C +ATOM 2562 CB VAL A 321 10.680 -4.536 9.826 1.00 0.02 C +ATOM 2563 O VAL A 321 12.284 -2.213 11.601 1.00 0.02 O +ATOM 2564 CG1 VAL A 321 11.798 -5.207 10.623 1.00 0.02 C +ATOM 2565 CG2 VAL A 321 9.387 -5.343 9.930 1.00 0.02 C +ATOM 2566 N PHE A 322 12.344 -1.820 9.380 1.00 0.03 N +ATOM 2567 CA PHE A 322 13.658 -1.190 9.434 1.00 0.03 C +ATOM 2568 C PHE A 322 13.566 0.201 10.050 1.00 0.03 C +ATOM 2569 CB PHE A 322 14.273 -1.104 8.034 1.00 0.03 C +ATOM 2570 O PHE A 322 14.461 0.620 10.787 1.00 0.03 O +ATOM 2571 CG PHE A 322 14.979 -2.361 7.603 1.00 0.03 C +ATOM 2572 CD1 PHE A 322 16.137 -2.779 8.248 1.00 0.03 C +ATOM 2573 CD2 PHE A 322 14.486 -3.124 6.553 1.00 0.03 C +ATOM 2574 CE1 PHE A 322 16.793 -3.942 7.852 1.00 0.03 C +ATOM 2575 CE2 PHE A 322 15.136 -4.287 6.151 1.00 0.03 C +ATOM 2576 CZ PHE A 322 16.290 -4.694 6.801 1.00 0.03 C +ATOM 2577 N MET A 323 12.422 0.811 9.919 1.00 0.02 N +ATOM 2578 CA MET A 323 12.291 2.201 10.347 1.00 0.02 C +ATOM 2579 C MET A 323 11.706 2.285 11.753 1.00 0.02 C +ATOM 2580 CB MET A 323 11.416 2.985 9.368 1.00 0.02 C +ATOM 2581 O MET A 323 11.935 3.262 12.468 1.00 0.02 O +ATOM 2582 CG MET A 323 12.050 3.182 8.001 1.00 0.02 C +ATOM 2583 SD MET A 323 11.086 4.326 6.938 1.00 0.02 S +ATOM 2584 CE MET A 323 11.962 5.882 7.266 1.00 0.02 C +ATOM 2585 N ASN A 324 10.948 1.326 12.208 1.00 0.00 N +ATOM 2586 CA ASN A 324 10.372 1.288 13.548 1.00 0.00 C +ATOM 2587 C ASN A 324 11.215 0.442 14.497 1.00 0.00 C +ATOM 2588 CB ASN A 324 8.936 0.762 13.500 1.00 0.00 C +ATOM 2589 O ASN A 324 11.172 -0.788 14.443 1.00 0.00 O +ATOM 2590 CG ASN A 324 8.232 0.864 14.839 1.00 0.00 C +ATOM 2591 ND2 ASN A 324 6.933 1.137 14.806 1.00 0.00 N +ATOM 2592 OD1 ASN A 324 8.850 0.699 15.894 1.00 0.00 O +ATOM 2593 N ARG A 325 11.927 1.130 15.351 1.00 0.00 N +ATOM 2594 CA ARG A 325 12.841 0.504 16.301 1.00 0.00 C +ATOM 2595 C ARG A 325 12.116 -0.525 17.162 1.00 0.00 C +ATOM 2596 CB ARG A 325 13.500 1.560 17.191 1.00 0.00 C +ATOM 2597 O ARG A 325 12.637 -1.615 17.408 1.00 0.00 O +ATOM 2598 CG ARG A 325 14.490 0.991 18.194 1.00 0.00 C +ATOM 2599 CD ARG A 325 15.153 2.087 19.016 1.00 0.00 C +ATOM 2600 NE ARG A 325 16.056 1.534 20.023 1.00 0.00 N +ATOM 2601 NH1 ARG A 325 16.518 3.565 21.022 1.00 0.00 N +ATOM 2602 NH2 ARG A 325 17.482 1.644 21.819 1.00 0.00 N +ATOM 2603 CZ ARG A 325 16.683 2.249 20.952 1.00 0.00 C +ATOM 2604 N GLN A 326 10.930 -0.251 17.652 1.00 0.00 N +ATOM 2605 CA GLN A 326 10.153 -1.164 18.485 1.00 0.00 C +ATOM 2606 C GLN A 326 9.858 -2.466 17.746 1.00 0.00 C +ATOM 2607 CB GLN A 326 8.846 -0.505 18.930 1.00 0.00 C +ATOM 2608 O GLN A 326 10.029 -3.554 18.301 1.00 0.00 O +ATOM 2609 CG GLN A 326 9.044 0.697 19.844 1.00 0.00 C +ATOM 2610 CD GLN A 326 7.734 1.344 20.253 1.00 0.00 C +ATOM 2611 NE2 GLN A 326 7.783 2.182 21.283 1.00 0.00 N +ATOM 2612 OE1 GLN A 326 6.687 1.094 19.647 1.00 0.00 O +ATOM 2613 N PHE A 327 9.493 -2.391 16.478 1.00 0.00 N +ATOM 2614 CA PHE A 327 9.227 -3.562 15.651 1.00 0.00 C +ATOM 2615 C PHE A 327 10.502 -4.367 15.428 1.00 0.00 C +ATOM 2616 CB PHE A 327 8.627 -3.146 14.305 1.00 0.00 C +ATOM 2617 O PHE A 327 10.506 -5.590 15.590 1.00 0.00 O +ATOM 2618 CG PHE A 327 7.127 -3.258 14.249 1.00 0.00 C +ATOM 2619 CD1 PHE A 327 6.518 -4.468 13.938 1.00 0.00 C +ATOM 2620 CD2 PHE A 327 6.326 -2.154 14.507 1.00 0.00 C +ATOM 2621 CE1 PHE A 327 5.130 -4.575 13.885 1.00 0.00 C +ATOM 2622 CE2 PHE A 327 4.938 -2.253 14.457 1.00 0.00 C +ATOM 2623 CZ PHE A 327 4.343 -3.464 14.144 1.00 0.00 C +ATOM 2624 N ARG A 328 11.576 -3.688 15.128 1.00 0.00 N +ATOM 2625 CA ARG A 328 12.866 -4.351 14.964 1.00 0.00 C +ATOM 2626 C ARG A 328 13.251 -5.117 16.225 1.00 0.00 C +ATOM 2627 CB ARG A 328 13.953 -3.332 14.616 1.00 0.00 C +ATOM 2628 O ARG A 328 13.610 -6.294 16.156 1.00 0.00 O +ATOM 2629 CG ARG A 328 14.180 -3.158 13.123 1.00 0.00 C +ATOM 2630 CD ARG A 328 15.322 -2.195 12.834 1.00 0.00 C +ATOM 2631 NE ARG A 328 16.129 -1.942 14.025 1.00 0.00 N +ATOM 2632 NH1 ARG A 328 15.766 0.339 14.040 1.00 0.00 N +ATOM 2633 NH2 ARG A 328 17.074 -0.629 15.655 1.00 0.00 N +ATOM 2634 CZ ARG A 328 16.321 -0.745 14.571 1.00 0.00 C +ATOM 2635 N VAL A 329 13.122 -4.513 17.400 1.00 0.04 N +ATOM 2636 CA VAL A 329 13.431 -5.143 18.680 1.00 0.04 C +ATOM 2637 C VAL A 329 12.540 -6.366 18.882 1.00 0.04 C +ATOM 2638 CB VAL A 329 13.255 -4.155 19.855 1.00 0.04 C +ATOM 2639 O VAL A 329 13.023 -7.439 19.252 1.00 0.04 O +ATOM 2640 CG1 VAL A 329 13.326 -4.889 21.192 1.00 0.04 C +ATOM 2641 CG2 VAL A 329 14.313 -3.055 19.789 1.00 0.04 C +ATOM 2642 N CYS A 330 11.253 -6.287 18.615 1.00 0.00 N +ATOM 2643 CA CYS A 330 10.307 -7.388 18.758 1.00 0.00 C +ATOM 2644 C CYS A 330 10.627 -8.513 17.783 1.00 0.00 C +ATOM 2645 CB CYS A 330 8.877 -6.898 18.534 1.00 0.00 C +ATOM 2646 O CYS A 330 10.585 -9.689 18.149 1.00 0.00 O +ATOM 2647 SG CYS A 330 8.245 -5.858 19.869 1.00 0.00 S +ATOM 2648 N ILE A 331 11.037 -8.218 16.544 1.00 0.00 N +ATOM 2649 CA ILE A 331 11.432 -9.212 15.552 1.00 0.00 C +ATOM 2650 C ILE A 331 12.720 -9.902 15.998 1.00 0.00 C +ATOM 2651 CB ILE A 331 11.622 -8.575 14.157 1.00 0.00 C +ATOM 2652 O ILE A 331 12.798 -11.133 16.016 1.00 0.00 O +ATOM 2653 CG1 ILE A 331 10.262 -8.223 13.542 1.00 0.00 C +ATOM 2654 CG2 ILE A 331 12.412 -9.511 13.239 1.00 0.00 C +ATOM 2655 CD1 ILE A 331 10.357 -7.484 12.214 1.00 0.00 C +ATOM 2656 N TYR A 332 13.719 -9.208 16.487 1.00 0.22 N +ATOM 2657 CA TYR A 332 14.943 -9.813 16.999 1.00 0.22 C +ATOM 2658 C TYR A 332 14.649 -10.712 18.193 1.00 0.22 C +ATOM 2659 CB TYR A 332 15.952 -8.731 17.396 1.00 0.22 C +ATOM 2660 O TYR A 332 15.137 -11.843 18.262 1.00 0.22 O +ATOM 2661 CG TYR A 332 16.678 -8.118 16.223 1.00 0.22 C +ATOM 2662 CD1 TYR A 332 17.371 -8.914 15.314 1.00 0.22 C +ATOM 2663 CD2 TYR A 332 16.672 -6.742 16.021 1.00 0.22 C +ATOM 2664 CE1 TYR A 332 18.043 -8.353 14.233 1.00 0.22 C +ATOM 2665 CE2 TYR A 332 17.340 -6.170 14.943 1.00 0.22 C +ATOM 2666 OH TYR A 332 18.684 -6.423 12.987 1.00 0.22 O +ATOM 2667 CZ TYR A 332 18.021 -6.983 14.055 1.00 0.22 C +ATOM 2668 N GLN A 333 13.768 -10.309 19.125 1.00 0.39 N +ATOM 2669 CA GLN A 333 13.333 -11.102 20.270 1.00 0.39 C +ATOM 2670 C GLN A 333 12.608 -12.367 19.820 1.00 0.39 C +ATOM 2671 CB GLN A 333 12.428 -10.275 21.184 1.00 0.39 C +ATOM 2672 O GLN A 333 12.722 -13.415 20.458 1.00 0.39 O +ATOM 2673 CG GLN A 333 13.175 -9.249 22.025 1.00 0.39 C +ATOM 2674 CD GLN A 333 12.246 -8.376 22.848 1.00 0.39 C +ATOM 2675 NE2 GLN A 333 12.817 -7.604 23.767 1.00 0.39 N +ATOM 2676 OE1 GLN A 333 11.026 -8.394 22.659 1.00 0.39 O +ATOM 2677 N MET A 334 11.926 -12.345 18.715 1.00 0.00 N +ATOM 2678 CA MET A 334 11.262 -13.517 18.151 1.00 0.00 C +ATOM 2679 C MET A 334 12.283 -14.549 17.685 1.00 0.00 C +ATOM 2680 CB MET A 334 10.357 -13.113 16.985 1.00 0.00 C +ATOM 2681 O MET A 334 12.051 -15.754 17.798 1.00 0.00 O +ATOM 2682 CG MET A 334 9.063 -12.444 17.418 1.00 0.00 C +ATOM 2683 SD MET A 334 8.063 -11.861 15.994 1.00 0.00 S +ATOM 2684 CE MET A 334 7.754 -13.438 15.152 1.00 0.00 C +ATOM 2685 N PHE A 335 13.454 -14.186 17.243 1.00 0.00 N +ATOM 2686 CA PHE A 335 14.513 -15.059 16.752 1.00 0.00 C +ATOM 2687 C PHE A 335 15.496 -15.397 17.867 1.00 0.00 C +ATOM 2688 CB PHE A 335 15.252 -14.404 15.581 1.00 0.00 C +ATOM 2689 O PHE A 335 16.612 -15.848 17.602 1.00 0.00 O +ATOM 2690 CG PHE A 335 14.457 -14.369 14.304 1.00 0.00 C +ATOM 2691 CD1 PHE A 335 14.126 -15.546 13.643 1.00 0.00 C +ATOM 2692 CD2 PHE A 335 14.040 -13.160 13.764 1.00 0.00 C +ATOM 2693 CE1 PHE A 335 13.390 -15.517 12.461 1.00 0.00 C +ATOM 2694 CE2 PHE A 335 13.304 -13.123 12.583 1.00 0.00 C +ATOM 2695 CZ PHE A 335 12.981 -14.303 11.933 1.00 0.00 C +ATOM 2696 N GLY A 336 15.106 -15.092 19.166 1.00 0.00 N +ATOM 2697 CA GLY A 336 15.884 -15.447 20.342 1.00 0.00 C +ATOM 2698 C GLY A 336 17.127 -14.595 20.515 1.00 0.00 C +ATOM 2699 O GLY A 336 17.973 -14.886 21.363 1.00 0.00 O +ATOM 2700 N LYS A 337 17.239 -13.601 19.664 1.00 0.00 N +ATOM 2701 CA LYS A 337 18.355 -12.680 19.857 1.00 0.00 C +ATOM 2702 C LYS A 337 18.078 -11.714 21.006 1.00 0.00 C +ATOM 2703 CB LYS A 337 18.635 -11.899 18.572 1.00 0.00 C +ATOM 2704 O LYS A 337 17.105 -10.958 20.968 1.00 0.00 O +ATOM 2705 CG LYS A 337 19.133 -12.760 17.421 1.00 0.00 C +ATOM 2706 CD LYS A 337 19.532 -11.912 16.220 1.00 0.00 C +ATOM 2707 CE LYS A 337 20.061 -12.771 15.079 1.00 0.00 C +ATOM 2708 NZ LYS A 337 20.482 -11.941 13.911 1.00 0.00 N +ATOM 2709 N LYS A 338 18.906 -11.731 22.057 1.00 0.24 N +ATOM 2710 CA LYS A 338 18.940 -10.664 23.052 1.00 0.24 C +ATOM 2711 C LYS A 338 19.317 -9.330 22.414 1.00 0.24 C +ATOM 2712 CB LYS A 338 19.925 -11.005 24.172 1.00 0.24 C +ATOM 2713 O LYS A 338 20.427 -9.171 21.903 1.00 0.24 O +ATOM 2714 CG LYS A 338 19.501 -12.190 25.028 1.00 0.24 C +ATOM 2715 CD LYS A 338 20.460 -12.410 26.191 1.00 0.24 C +ATOM 2716 CE LYS A 338 20.034 -13.591 27.053 1.00 0.24 C +ATOM 2717 NZ LYS A 338 20.946 -13.784 28.219 1.00 0.24 N +ATOM 2718 N VAL A 339 18.363 -8.562 22.278 1.00 0.00 N +ATOM 2719 CA VAL A 339 18.648 -7.150 22.047 1.00 0.00 C +ATOM 2720 C VAL A 339 19.085 -6.491 23.353 1.00 0.00 C +ATOM 2721 CB VAL A 339 17.422 -6.412 21.463 1.00 0.00 C +ATOM 2722 O VAL A 339 18.323 -6.449 24.321 1.00 0.00 O +ATOM 2723 CG1 VAL A 339 17.777 -4.968 21.113 1.00 0.00 C +ATOM 2724 CG2 VAL A 339 16.894 -7.148 20.233 1.00 0.00 C +ATOM 2725 N ASP A 340 20.380 -6.109 23.430 1.00 0.02 N +ATOM 2726 CA ASP A 340 20.833 -5.236 24.509 1.00 0.02 C +ATOM 2727 C ASP A 340 20.098 -3.898 24.478 1.00 0.02 C +ATOM 2728 CB ASP A 340 22.344 -5.009 24.416 1.00 0.02 C +ATOM 2729 O ASP A 340 20.486 -2.988 23.742 1.00 0.02 O +ATOM 2730 CG ASP A 340 23.151 -6.254 24.738 1.00 0.02 C +ATOM 2731 OD1 ASP A 340 22.696 -7.082 25.556 1.00 0.02 O +ATOM 2732 OD2 ASP A 340 24.255 -6.407 24.171 1.00 0.02 O +ATOM 2733 N ASP A 341 18.976 -3.831 25.294 1.00 0.01 N +ATOM 2734 CA ASP A 341 18.170 -2.629 25.484 1.00 0.01 C +ATOM 2735 C ASP A 341 18.974 -1.533 26.180 1.00 0.01 C +ATOM 2736 CB ASP A 341 16.910 -2.949 26.292 1.00 0.01 C +ATOM 2737 O ASP A 341 18.545 -0.378 26.231 1.00 0.01 O +ATOM 2738 CG ASP A 341 15.784 -3.504 25.438 1.00 0.01 C +ATOM 2739 OD1 ASP A 341 15.779 -3.273 24.210 1.00 0.01 O +ATOM 2740 OD2 ASP A 341 14.891 -4.176 25.999 1.00 0.01 O +ATOM 2741 N GLY A 342 20.082 -1.907 26.721 1.00 0.55 N +ATOM 2742 CA GLY A 342 20.890 -1.234 27.725 1.00 0.55 C +ATOM 2743 C GLY A 342 21.672 -0.057 27.172 1.00 0.55 C +ATOM 2744 O GLY A 342 22.243 0.728 27.933 1.00 0.55 O +ATOM 2745 N SER A 343 21.525 0.160 25.883 1.00 0.00 N +ATOM 2746 CA SER A 343 22.323 1.247 25.326 1.00 0.00 C +ATOM 2747 C SER A 343 21.509 2.532 25.219 1.00 0.00 C +ATOM 2748 CB SER A 343 22.868 0.863 23.950 1.00 0.00 C +ATOM 2749 O SER A 343 22.064 3.606 24.976 1.00 0.00 O +ATOM 2750 OG SER A 343 21.848 0.294 23.146 1.00 0.00 O +ATOM 2751 N GLU A 344 20.176 2.533 25.894 1.00 0.43 N +ATOM 2752 CA GLU A 344 19.615 3.848 25.601 1.00 0.43 C +ATOM 2753 C GLU A 344 18.468 4.183 26.550 1.00 0.43 C +ATOM 2754 CB GLU A 344 19.134 3.917 24.149 1.00 0.43 C +ATOM 2755 O GLU A 344 18.116 5.353 26.718 1.00 0.43 O +ATOM 2756 CG GLU A 344 20.174 4.463 23.182 1.00 0.43 C +ATOM 2757 CD GLU A 344 19.619 4.728 21.791 1.00 0.43 C +ATOM 2758 OE1 GLU A 344 18.512 4.235 21.475 1.00 0.43 O +ATOM 2759 OE2 GLU A 344 20.297 5.432 21.010 1.00 0.43 O +ATOM 2760 N VAL A 345 18.001 3.153 27.395 1.00 0.07 N +ATOM 2761 CA VAL A 345 16.842 3.482 28.218 1.00 0.07 C +ATOM 2762 C VAL A 345 17.303 3.981 29.585 1.00 0.07 C +ATOM 2763 CB VAL A 345 15.900 2.269 28.383 1.00 0.07 C +ATOM 2764 O VAL A 345 16.519 4.568 30.335 1.00 0.07 O +ATOM 2765 CG1 VAL A 345 14.696 2.633 29.249 1.00 0.07 C +ATOM 2766 CG2 VAL A 345 15.444 1.757 27.017 1.00 0.07 C +ATOM 2767 N SER A 346 18.630 3.972 29.747 1.00 0.00 N +ATOM 2768 CA SER A 346 19.066 4.271 31.107 1.00 0.00 C +ATOM 2769 C SER A 346 19.331 5.762 31.287 1.00 0.00 C +ATOM 2770 CB SER A 346 20.325 3.476 31.454 1.00 0.00 C +ATOM 2771 O SER A 346 19.681 6.208 32.382 1.00 0.00 O +ATOM 2772 OG SER A 346 20.053 2.085 31.473 1.00 0.00 O +ATOM 2773 N SER A 347 18.920 6.611 30.227 1.00 0.01 N +ATOM 2774 CA SER A 347 19.338 7.996 30.421 1.00 0.01 C +ATOM 2775 C SER A 347 18.136 8.918 30.590 1.00 0.01 C +ATOM 2776 CB SER A 347 20.191 8.468 29.242 1.00 0.01 C +ATOM 2777 O SER A 347 18.277 10.052 31.052 1.00 0.01 O +ATOM 2778 OG SER A 347 19.708 7.928 28.024 1.00 0.01 O +ATOM 2779 N THR A 348 16.831 8.406 30.405 1.00 0.08 N +ATOM 2780 CA THR A 348 15.779 9.412 30.310 1.00 0.08 C +ATOM 2781 C THR A 348 14.868 9.359 31.534 1.00 0.08 C +ATOM 2782 CB THR A 348 14.939 9.224 29.033 1.00 0.08 C +ATOM 2783 O THR A 348 14.156 10.322 31.826 1.00 0.08 O +ATOM 2784 CG2 THR A 348 14.603 10.567 28.394 1.00 0.08 C +ATOM 2785 OG1 THR A 348 15.678 8.433 28.095 1.00 0.08 O +ATOM 2786 N SER A 349 15.018 8.365 32.424 1.00 0.56 N +ATOM 2787 CA SER A 349 13.987 8.238 33.448 1.00 0.56 C +ATOM 2788 C SER A 349 14.457 8.812 34.780 1.00 0.56 C +ATOM 2789 CB SER A 349 13.587 6.772 33.628 1.00 0.56 C +ATOM 2790 O SER A 349 13.702 8.832 35.755 1.00 0.56 O +ATOM 2791 OG SER A 349 12.381 6.667 34.365 1.00 0.56 O +ATOM 2792 N LYS A 350 15.520 9.508 34.805 1.00 0.13 N +ATOM 2793 CA LYS A 350 15.903 9.944 36.145 1.00 0.13 C +ATOM 2794 C LYS A 350 15.900 11.467 36.249 1.00 0.13 C +ATOM 2795 CB LYS A 350 17.282 9.396 36.514 1.00 0.13 C +ATOM 2796 O LYS A 350 16.211 12.022 37.305 1.00 0.13 O +ATOM 2797 CG LYS A 350 17.251 8.001 37.122 1.00 0.13 C +ATOM 2798 CD LYS A 350 18.626 7.579 37.623 1.00 0.13 C +ATOM 2799 CE LYS A 350 18.576 6.230 38.327 1.00 0.13 C +ATOM 2800 NZ LYS A 350 19.919 5.820 38.835 1.00 0.13 N +ATOM 2801 N THR A 351 15.491 12.181 35.171 1.00 0.00 N +ATOM 2802 CA THR A 351 15.772 13.608 35.288 1.00 0.00 C +ATOM 2803 C THR A 351 14.480 14.400 35.467 1.00 0.00 C +ATOM 2804 CB THR A 351 16.532 14.131 34.056 1.00 0.00 C +ATOM 2805 O THR A 351 14.513 15.576 35.836 1.00 0.00 O +ATOM 2806 CG2 THR A 351 17.311 15.400 34.387 1.00 0.00 C +ATOM 2807 OG1 THR A 351 17.448 13.125 33.604 1.00 0.00 O +ATOM 2808 N GLU A 352 13.189 13.796 35.752 1.00 0.00 N +ATOM 2809 CA GLU A 352 12.202 14.871 35.761 1.00 0.00 C +ATOM 2810 C GLU A 352 11.193 14.684 36.891 1.00 0.00 C +ATOM 2811 CB GLU A 352 11.476 14.946 34.415 1.00 0.00 C +ATOM 2812 O GLU A 352 10.145 15.332 36.908 1.00 0.00 O +ATOM 2813 CG GLU A 352 11.990 16.048 33.500 1.00 0.00 C +ATOM 2814 CD GLU A 352 11.221 16.149 32.192 1.00 0.00 C +ATOM 2815 OE1 GLU A 352 10.512 15.183 31.829 1.00 0.00 O +ATOM 2816 OE2 GLU A 352 11.330 17.202 31.525 1.00 0.00 O +ATOM 2817 N VAL A 353 11.541 13.978 37.965 1.00 0.00 N +ATOM 2818 CA VAL A 353 10.511 13.980 38.999 1.00 0.00 C +ATOM 2819 C VAL A 353 11.040 14.670 40.254 1.00 0.00 C +ATOM 2820 CB VAL A 353 10.041 12.547 39.336 1.00 0.00 C +ATOM 2821 O VAL A 353 10.475 14.517 41.339 1.00 0.00 O +ATOM 2822 CG1 VAL A 353 8.937 12.575 40.391 1.00 0.00 C +ATOM 2823 CG2 VAL A 353 9.561 11.833 38.074 1.00 0.00 C +ATOM 2824 N SER A 354 12.075 15.498 40.117 1.00 0.02 N +ATOM 2825 CA SER A 354 12.505 15.981 41.425 1.00 0.02 C +ATOM 2826 C SER A 354 12.382 17.497 41.523 1.00 0.02 C +ATOM 2827 CB SER A 354 13.948 15.559 41.705 1.00 0.02 C +ATOM 2828 O SER A 354 12.953 18.115 42.424 1.00 0.02 O +ATOM 2829 OG SER A 354 14.009 14.684 42.819 1.00 0.02 O +ATOM 2830 N SER A 355 11.411 18.218 40.815 1.00 0.13 N +ATOM 2831 CA SER A 355 11.503 19.605 41.259 1.00 0.13 C +ATOM 2832 C SER A 355 10.215 20.367 40.966 1.00 0.13 C +ATOM 2833 CB SER A 355 12.684 20.306 40.585 1.00 0.13 C +ATOM 2834 O SER A 355 10.254 21.499 40.480 1.00 0.13 O +ATOM 2835 OG SER A 355 12.462 20.438 39.192 1.00 0.13 O +ATOM 2836 N VAL A 356 9.084 19.773 40.893 1.00 0.00 N +ATOM 2837 CA VAL A 356 7.936 20.662 41.035 1.00 0.00 C +ATOM 2838 C VAL A 356 7.362 20.545 42.446 1.00 0.00 C +ATOM 2839 CB VAL A 356 6.843 20.352 39.988 1.00 0.00 C +ATOM 2840 O VAL A 356 6.361 19.857 42.660 1.00 0.00 O +ATOM 2841 CG1 VAL A 356 5.709 21.371 40.072 1.00 0.00 C +ATOM 2842 CG2 VAL A 356 7.443 20.329 38.583 1.00 0.00 C +ATOM 2843 N ALA A 357 8.051 21.064 43.471 1.00 0.21 N +ATOM 2844 CA ALA A 357 7.434 21.457 44.735 1.00 0.21 C +ATOM 2845 C ALA A 357 6.343 22.501 44.511 1.00 0.21 C +ATOM 2846 CB ALA A 357 8.490 21.993 45.699 1.00 0.21 C +ATOM 2847 O ALA A 357 6.562 23.497 43.818 1.00 0.21 O +ATOM 2848 N PRO A 358 5.018 22.107 44.859 1.00 0.00 N +ATOM 2849 CA PRO A 358 4.042 23.197 44.941 1.00 0.00 C +ATOM 2850 C PRO A 358 4.548 24.382 45.760 1.00 0.00 C +ATOM 2851 CB PRO A 358 2.837 22.540 45.620 1.00 0.00 C +ATOM 2852 O PRO A 358 5.032 24.202 46.880 1.00 0.00 O +ATOM 2853 CG PRO A 358 3.419 21.449 46.459 1.00 0.00 C +ATOM 2854 CD PRO A 358 4.701 20.992 45.826 1.00 0.00 C +ATOM 2855 N ALA A 359 4.569 25.588 45.105 1.00 0.05 N +ATOM 2856 CA ALA A 359 4.527 26.766 45.968 1.00 0.05 C +ATOM 2857 C ALA A 359 3.242 26.798 46.790 1.00 0.05 C +ATOM 2858 CB ALA A 359 4.656 28.040 45.136 1.00 0.05 C +ATOM 2859 O ALA A 359 2.191 26.350 46.327 1.00 0.05 O +TER 2860 ALA A 359 +END diff --git a/examples/optics_shap_on_optics_structure_map_ex_2026-02-03_15-42-48/U57536_individual_shap.svg b/examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/C_phantasticus_LWS1_individual_shap.svg similarity index 74% rename from 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-22.020 18.572 -44.640 1.00 0.00 C +ATOM 5 O MET A 1 -20.640 15.661 -43.810 1.00 0.00 O +ATOM 6 CG MET A 1 -22.557 19.701 -43.774 1.00 0.00 C +ATOM 7 SD MET A 1 -24.257 20.203 -44.249 1.00 0.00 S +ATOM 8 CE MET A 1 -24.271 21.909 -43.630 1.00 0.00 C +ATOM 9 N ALA A 2 -20.013 16.371 -45.861 1.00 0.00 N +ATOM 10 CA ALA A 2 -19.929 15.027 -46.426 1.00 0.00 C +ATOM 11 C ALA A 2 -18.938 14.166 -45.648 1.00 0.00 C +ATOM 12 CB ALA A 2 -19.529 15.093 -47.898 1.00 0.00 C +ATOM 13 O ALA A 2 -19.248 13.030 -45.282 1.00 0.00 O +ATOM 14 N ASP A 3 -17.887 14.764 -45.273 1.00 0.00 N +ATOM 15 CA ASP A 3 -16.832 14.020 -44.593 1.00 0.00 C +ATOM 16 C ASP A 3 -17.306 13.513 -43.233 1.00 0.00 C +ATOM 17 CB ASP A 3 -15.585 14.890 -44.424 1.00 0.00 C +ATOM 18 O ASP A 3 -16.931 12.418 -42.808 1.00 0.00 O +ATOM 19 CG ASP A 3 -14.957 15.289 -45.748 1.00 0.00 C +ATOM 20 OD1 ASP A 3 -15.084 14.534 -46.736 1.00 0.00 O +ATOM 21 OD2 ASP A 3 -14.326 16.367 -45.803 1.00 0.00 O +ATOM 22 N ARG A 4 -18.095 14.237 -42.548 1.00 0.00 N +ATOM 23 CA ARG A 4 -18.576 13.841 -41.228 1.00 0.00 C +ATOM 24 C ARG A 4 -19.563 12.682 -41.329 1.00 0.00 C +ATOM 25 CB ARG A 4 -19.232 15.027 -40.516 1.00 0.00 C +ATOM 26 O ARG A 4 -19.621 11.830 -40.441 1.00 0.00 O +ATOM 27 CG ARG A 4 -18.243 15.962 -39.840 1.00 0.00 C +ATOM 28 CD ARG A 4 -18.948 16.994 -38.970 1.00 0.00 C +ATOM 29 NE ARG A 4 -17.994 17.839 -38.257 1.00 0.00 N +ATOM 30 NH1 ARG A 4 -19.582 18.866 -36.930 1.00 0.00 N +ATOM 31 NH2 ARG A 4 -17.369 19.428 -36.721 1.00 0.00 N +ATOM 32 CZ ARG A 4 -18.317 18.709 -37.304 1.00 0.00 C +ATOM 33 N VAL A 5 -20.310 12.599 -42.390 1.00 0.00 N +ATOM 34 CA VAL A 5 -21.277 11.526 -42.597 1.00 0.00 C +ATOM 35 C VAL A 5 -20.546 10.232 -42.946 1.00 0.00 C +ATOM 36 CB VAL A 5 -22.291 11.881 -43.707 1.00 0.00 C +ATOM 37 O VAL A 5 -20.866 9.167 -42.413 1.00 0.00 O +ATOM 38 CG1 VAL A 5 -23.232 10.708 -43.975 1.00 0.00 C +ATOM 39 CG2 VAL A 5 -23.085 13.129 -43.324 1.00 0.00 C +ATOM 40 N MET A 6 -19.461 10.357 -43.773 1.00 0.00 N +ATOM 41 CA MET A 6 -18.666 9.192 -44.150 1.00 0.00 C +ATOM 42 C MET A 6 -17.928 8.624 -42.942 1.00 0.00 C +ATOM 43 CB MET A 6 -17.667 9.555 -45.250 1.00 0.00 C +ATOM 44 O MET A 6 -17.831 7.405 -42.785 1.00 0.00 O +ATOM 45 CG MET A 6 -18.272 9.577 -46.644 1.00 0.00 C +ATOM 46 SD MET A 6 -17.137 8.893 -47.913 1.00 0.00 S +ATOM 47 CE MET A 6 -16.177 10.378 -48.319 1.00 0.00 C +ATOM 48 N PHE A 7 -17.478 9.491 -42.072 1.00 0.00 N +ATOM 49 CA PHE A 7 -16.791 9.045 -40.866 1.00 0.00 C +ATOM 50 C PHE A 7 -17.759 8.348 -39.918 1.00 0.00 C +ATOM 51 CB PHE A 7 -16.122 10.227 -40.158 1.00 0.00 C +ATOM 52 O PHE A 7 -17.410 7.343 -39.294 1.00 0.00 O +ATOM 53 CG PHE A 7 -15.076 9.821 -39.156 1.00 0.00 C +ATOM 54 CD1 PHE A 7 -15.388 9.724 -37.805 1.00 0.00 C +ATOM 55 CD2 PHE A 7 -13.779 9.537 -39.565 1.00 0.00 C +ATOM 56 CE1 PHE A 7 -14.421 9.349 -36.875 1.00 0.00 C +ATOM 57 CE2 PHE A 7 -12.808 9.161 -38.641 1.00 0.00 C +ATOM 58 CZ PHE A 7 -13.131 9.068 -37.297 1.00 0.00 C +ATOM 59 N SER A 8 -18.985 8.734 -39.823 1.00 3.58 N +ATOM 60 CA SER A 8 -19.978 8.110 -38.954 1.00 3.58 C +ATOM 61 C SER A 8 -20.414 6.753 -39.498 1.00 3.58 C +ATOM 62 CB SER A 8 -21.197 9.019 -38.792 1.00 3.58 C +ATOM 63 O SER A 8 -20.527 5.784 -38.745 1.00 3.58 O +ATOM 64 OG SER A 8 -22.236 8.629 -39.673 1.00 3.58 O +ATOM 65 N ALA A 9 -20.614 6.539 -40.849 1.00 0.00 N +ATOM 66 CA ALA A 9 -21.022 5.283 -41.474 1.00 0.00 C +ATOM 67 C ALA A 9 -19.933 4.223 -41.335 1.00 0.00 C +ATOM 68 CB ALA A 9 -21.359 5.506 -42.946 1.00 0.00 C +ATOM 69 O ALA A 9 -20.219 3.069 -41.007 1.00 0.00 O +ATOM 70 N ARG A 10 -18.655 4.645 -41.511 1.00 0.00 N +ATOM 71 CA ARG A 10 -17.545 3.711 -41.350 1.00 0.00 C +ATOM 72 C ARG A 10 -17.432 3.239 -39.904 1.00 0.00 C +ATOM 73 CB ARG A 10 -16.230 4.355 -41.795 1.00 0.00 C +ATOM 74 O ARG A 10 -17.270 2.045 -39.646 1.00 0.00 O +ATOM 75 CG ARG A 10 -15.143 3.354 -42.150 1.00 0.00 C +ATOM 76 CD ARG A 10 -13.921 4.036 -42.750 1.00 0.00 C +ATOM 77 NE ARG A 10 -12.893 3.070 -43.124 1.00 0.00 N +ATOM 78 NH1 ARG A 10 -11.396 4.651 -43.896 1.00 0.00 N +ATOM 79 NH2 ARG A 10 -10.855 2.424 -43.963 1.00 0.00 N +ATOM 80 CZ ARG A 10 -11.717 3.384 -43.660 1.00 0.00 C +ATOM 81 N ARG A 11 -17.656 4.165 -38.946 1.00 0.00 N +ATOM 82 CA ARG A 11 -17.596 3.764 -37.545 1.00 0.00 C +ATOM 83 C ARG A 11 -18.727 2.800 -37.202 1.00 0.00 C +ATOM 84 CB ARG A 11 -17.658 4.990 -36.631 1.00 0.00 C +ATOM 85 O ARG A 11 -18.518 1.820 -36.484 1.00 0.00 O +ATOM 86 CG ARG A 11 -17.236 4.713 -35.197 1.00 0.00 C +ATOM 87 CD ARG A 11 -17.169 5.990 -34.372 1.00 0.00 C +ATOM 88 NE ARG A 11 -16.724 5.726 -33.006 1.00 0.00 N +ATOM 89 NH1 ARG A 11 -16.641 7.949 -32.383 1.00 0.00 N +ATOM 90 NH2 ARG A 11 -16.083 6.311 -30.880 1.00 0.00 N +ATOM 91 CZ ARG A 11 -16.483 6.663 -32.093 1.00 0.00 C +ATOM 92 N HIS A 12 -19.931 2.967 -37.728 1.00 0.00 N +ATOM 93 CA HIS A 12 -21.049 2.069 -37.462 1.00 0.00 C +ATOM 94 C HIS A 12 -20.807 0.692 -38.071 1.00 0.00 C +ATOM 95 CB HIS A 12 -22.352 2.660 -38.004 1.00 0.00 C +ATOM 96 O HIS A 12 -21.087 -0.329 -37.439 1.00 0.00 O +ATOM 97 CG HIS A 12 -23.515 2.500 -37.076 1.00 0.00 C +ATOM 98 CD2 HIS A 12 -24.247 3.418 -36.402 1.00 0.00 C +ATOM 99 ND1 HIS A 12 -24.044 1.270 -36.753 1.00 0.00 N +ATOM 100 CE1 HIS A 12 -25.055 1.438 -35.917 1.00 0.00 C +ATOM 101 NE2 HIS A 12 -25.199 2.732 -35.688 1.00 0.00 N +ATOM 102 N HIS A 13 -20.225 0.592 -39.363 1.00 0.00 N +ATOM 103 CA HIS A 13 -19.928 -0.679 -40.014 1.00 0.00 C +ATOM 104 C HIS A 13 -18.820 -1.428 -39.281 1.00 0.00 C +ATOM 105 CB HIS A 13 -19.532 -0.453 -41.474 1.00 0.00 C +ATOM 106 O HIS A 13 -18.899 -2.646 -39.106 1.00 0.00 O +ATOM 107 CG HIS A 13 -19.430 -1.714 -42.271 1.00 0.00 C +ATOM 108 CD2 HIS A 13 -19.614 -1.950 -43.591 1.00 0.00 C +ATOM 109 ND1 HIS A 13 -19.105 -2.928 -41.704 1.00 0.00 N +ATOM 110 CE1 HIS A 13 -19.093 -3.857 -42.645 1.00 0.00 C +ATOM 111 NE2 HIS A 13 -19.399 -3.290 -43.799 1.00 0.00 N +ATOM 112 N GLU A 14 -17.786 -0.675 -38.767 1.00 0.00 N +ATOM 113 CA GLU A 14 -16.724 -1.292 -37.978 1.00 0.00 C +ATOM 114 C GLU A 14 -17.249 -1.778 -36.630 1.00 0.00 C +ATOM 115 CB GLU A 14 -15.569 -0.309 -37.769 1.00 0.00 C +ATOM 116 O GLU A 14 -16.884 -2.861 -36.170 1.00 0.00 O +ATOM 117 CG GLU A 14 -14.674 -0.143 -38.989 1.00 0.00 C +ATOM 118 CD GLU A 14 -13.643 0.964 -38.830 1.00 0.00 C +ATOM 119 OE1 GLU A 14 -13.659 1.664 -37.793 1.00 0.00 O +ATOM 120 OE2 GLU A 14 -12.814 1.132 -39.752 1.00 0.00 O +ATOM 121 N GLU A 15 -18.205 -1.035 -36.010 1.00 0.00 N +ATOM 122 CA GLU A 15 -18.822 -1.464 -34.759 1.00 0.00 C +ATOM 123 C GLU A 15 -19.715 -2.682 -34.973 1.00 0.00 C +ATOM 124 CB GLU A 15 -19.631 -0.322 -34.138 1.00 0.00 C +ATOM 125 O GLU A 15 -19.717 -3.608 -34.159 1.00 0.00 O +ATOM 126 CG GLU A 15 -18.780 0.712 -33.415 1.00 0.00 C +ATOM 127 CD GLU A 15 -19.598 1.825 -32.779 1.00 0.00 C +ATOM 128 OE1 GLU A 15 -20.842 1.822 -32.925 1.00 0.00 O +ATOM 129 OE2 GLU A 15 -18.991 2.706 -32.131 1.00 0.00 O +ATOM 130 N GLU A 16 -20.518 -2.767 -36.103 1.00 0.00 N +ATOM 131 CA GLU A 16 -21.379 -3.907 -36.406 1.00 0.00 C +ATOM 132 C GLU A 16 -20.556 -5.148 -36.737 1.00 0.00 C +ATOM 133 CB GLU A 16 -22.322 -3.576 -37.565 1.00 0.00 C +ATOM 134 O GLU A 16 -20.846 -6.241 -36.246 1.00 0.00 O +ATOM 135 CG GLU A 16 -23.629 -2.929 -37.130 1.00 0.00 C +ATOM 136 CD GLU A 16 -24.671 -2.878 -38.236 1.00 0.00 C +ATOM 137 OE1 GLU A 16 -24.290 -2.879 -39.429 1.00 0.00 O +ATOM 138 OE2 GLU A 16 -25.877 -2.835 -37.907 1.00 0.00 O +ATOM 139 N THR A 17 -19.468 -5.015 -37.520 1.00 0.00 N +ATOM 140 CA THR A 17 -18.570 -6.115 -37.854 1.00 0.00 C +ATOM 141 C THR A 17 -17.876 -6.645 -36.602 1.00 0.00 C +ATOM 142 CB THR A 17 -17.512 -5.680 -38.885 1.00 0.00 C +ATOM 143 O THR A 17 -17.746 -7.858 -36.425 1.00 0.00 O +ATOM 144 CG2 THR A 17 -18.067 -5.751 -40.304 1.00 0.00 C +ATOM 145 OG1 THR A 17 -17.109 -4.334 -38.608 1.00 0.00 O +ATOM 146 N THR A 18 -17.469 -5.726 -35.673 1.00 0.00 N +ATOM 147 CA THR A 18 -16.875 -6.111 -34.397 1.00 0.00 C +ATOM 148 C THR A 18 -17.903 -6.809 -33.511 1.00 0.00 C +ATOM 149 CB THR A 18 -16.301 -4.889 -33.657 1.00 0.00 C +ATOM 150 O THR A 18 -17.601 -7.826 -32.884 1.00 0.00 O +ATOM 151 CG2 THR A 18 -15.529 -5.313 -32.412 1.00 0.00 C +ATOM 152 OG1 THR A 18 -15.418 -4.178 -34.533 1.00 0.00 O +ATOM 153 N ARG A 19 -19.153 -6.351 -33.477 1.00 0.00 N +ATOM 154 CA ARG A 19 -20.217 -6.988 -32.708 1.00 0.00 C +ATOM 155 C ARG A 19 -20.574 -8.351 -33.293 1.00 0.00 C +ATOM 156 CB ARG A 19 -21.459 -6.095 -32.666 1.00 0.00 C +ATOM 157 O ARG A 19 -20.730 -9.327 -32.556 1.00 0.00 O +ATOM 158 CG ARG A 19 -21.368 -4.962 -31.656 1.00 0.00 C +ATOM 159 CD ARG A 19 -22.628 -4.107 -31.653 1.00 0.00 C +ATOM 160 NE ARG A 19 -22.549 -3.034 -30.665 1.00 0.00 N +ATOM 161 NH1 ARG A 19 -24.769 -2.423 -30.847 1.00 0.00 N +ATOM 162 NH2 ARG A 19 -23.385 -1.313 -29.396 1.00 0.00 N +ATOM 163 CZ ARG A 19 -23.568 -2.259 -30.305 1.00 0.00 C +ATOM 164 N ALA A 20 -20.744 -8.518 -34.657 1.00 2.59 N +ATOM 165 CA ALA A 20 -21.049 -9.779 -35.328 1.00 2.59 C +ATOM 166 C ALA A 20 -19.925 -10.792 -35.130 1.00 2.59 C +ATOM 167 CB ALA A 20 -21.294 -9.545 -36.817 1.00 2.59 C +ATOM 168 O ALA A 20 -20.182 -11.977 -34.903 1.00 2.59 O +ATOM 169 N SER A 21 -18.640 -10.374 -35.179 1.00 0.00 N +ATOM 170 CA SER A 21 -17.498 -11.250 -34.941 1.00 0.00 C +ATOM 171 C SER A 21 -17.501 -11.786 -33.513 1.00 0.00 C +ATOM 172 CB SER A 21 -16.188 -10.511 -35.214 1.00 0.00 C +ATOM 173 O SER A 21 -17.214 -12.963 -33.286 1.00 0.00 O +ATOM 174 OG SER A 21 -16.027 -9.425 -34.317 1.00 0.00 O +ATOM 175 N ILE A 22 -17.921 -10.948 -32.503 1.00 0.00 N +ATOM 176 CA ILE A 22 -17.996 -11.369 -31.109 1.00 0.00 C +ATOM 177 C ILE A 22 -19.096 -12.416 -30.944 1.00 0.00 C +ATOM 178 CB ILE A 22 -18.253 -10.170 -30.169 1.00 0.00 C +ATOM 179 O ILE A 22 -18.919 -13.402 -30.224 1.00 0.00 O +ATOM 180 CG1 ILE A 22 -17.027 -9.250 -30.131 1.00 0.00 C +ATOM 181 CG2 ILE A 22 -18.619 -10.654 -28.763 1.00 0.00 C +ATOM 182 CD1 ILE A 22 -17.286 -7.901 -29.474 1.00 0.00 C +ATOM 183 N PHE A 23 -20.229 -12.361 -31.659 1.00 0.00 N +ATOM 184 CA PHE A 23 -21.388 -13.224 -31.467 1.00 0.00 C +ATOM 185 C PHE A 23 -21.220 -14.533 -32.229 1.00 0.00 C +ATOM 186 CB PHE A 23 -22.669 -12.515 -31.917 1.00 0.00 C +ATOM 187 O PHE A 23 -21.699 -15.580 -31.788 1.00 0.00 O +ATOM 188 CG PHE A 23 -23.491 -11.968 -30.782 1.00 0.00 C +ATOM 189 CD1 PHE A 23 -24.320 -12.801 -30.041 1.00 0.00 C +ATOM 190 CD2 PHE A 23 -23.435 -10.619 -30.455 1.00 0.00 C +ATOM 191 CE1 PHE A 23 -25.082 -12.298 -28.990 1.00 0.00 C +ATOM 192 CE2 PHE A 23 -24.194 -10.109 -29.406 1.00 0.00 C +ATOM 193 CZ PHE A 23 -25.018 -10.949 -28.675 1.00 0.00 C +ATOM 194 N THR A 24 -20.666 -14.545 -33.499 1.00 0.42 N +ATOM 195 CA THR A 24 -20.523 -15.740 -34.323 1.00 0.42 C +ATOM 196 C THR A 24 -19.519 -16.707 -33.702 1.00 0.42 C +ATOM 197 CB THR A 24 -20.077 -15.382 -35.753 1.00 0.42 C +ATOM 198 O THR A 24 -19.573 -17.912 -33.955 1.00 0.42 O +ATOM 199 CG2 THR A 24 -21.279 -15.211 -36.676 1.00 0.42 C +ATOM 200 OG1 THR A 24 -19.334 -14.157 -35.723 1.00 0.42 O +ATOM 201 N TYR A 25 -18.693 -16.249 -32.733 1.00 0.00 N +ATOM 202 CA TYR A 25 -17.681 -17.044 -32.046 1.00 0.00 C +ATOM 203 C TYR A 25 -18.319 -17.950 -30.998 1.00 0.00 C +ATOM 204 CB TYR A 25 -16.640 -16.136 -31.386 1.00 0.00 C +ATOM 205 O TYR A 25 -17.751 -18.983 -30.634 1.00 0.00 O +ATOM 206 CG TYR A 25 -15.250 -16.293 -31.954 1.00 0.00 C +ATOM 207 CD1 TYR A 25 -14.366 -17.236 -31.434 1.00 0.00 C +ATOM 208 CD2 TYR A 25 -14.818 -15.500 -33.011 1.00 0.00 C +ATOM 209 CE1 TYR A 25 -13.084 -17.383 -31.953 1.00 0.00 C +ATOM 210 CE2 TYR A 25 -13.538 -15.638 -33.538 1.00 0.00 C +ATOM 211 OH TYR A 25 -11.412 -16.723 -33.521 1.00 0.00 O +ATOM 212 CZ TYR A 25 -12.680 -16.581 -33.003 1.00 0.00 C +ATOM 213 N THR A 26 -19.583 -17.738 -30.579 1.00 0.00 N +ATOM 214 CA THR A 26 -20.261 -18.514 -29.547 1.00 0.00 C +ATOM 215 C THR A 26 -20.808 -19.817 -30.123 1.00 0.00 C +ATOM 216 CB THR A 26 -21.409 -17.711 -28.908 1.00 0.00 C +ATOM 217 O THR A 26 -21.181 -20.724 -29.375 1.00 0.00 O +ATOM 218 CG2 THR A 26 -20.870 -16.568 -28.053 1.00 0.00 C +ATOM 219 OG1 THR A 26 -22.239 -17.169 -29.942 1.00 0.00 O +ATOM 220 N ASN A 27 -20.719 -19.992 -31.489 1.00 0.00 N +ATOM 221 CA ASN A 27 -21.601 -21.075 -31.909 1.00 0.00 C +ATOM 222 C ASN A 27 -20.819 -22.220 -32.547 1.00 0.00 C +ATOM 223 CB ASN A 27 -22.666 -20.556 -32.878 1.00 0.00 C +ATOM 224 O ASN A 27 -21.382 -23.277 -32.835 1.00 0.00 O +ATOM 225 CG ASN A 27 -23.981 -21.298 -32.752 1.00 0.00 C +ATOM 226 ND2 ASN A 27 -24.914 -21.009 -33.652 1.00 0.00 N +ATOM 227 OD1 ASN A 27 -24.158 -22.125 -31.854 1.00 0.00 O +ATOM 228 N ASN A 28 -19.442 -22.061 -32.686 1.00 0.00 N +ATOM 229 CA ASN A 28 -18.610 -23.121 -33.246 1.00 0.00 C +ATOM 230 C ASN A 28 -17.900 -23.913 -32.152 1.00 0.00 C +ATOM 231 CB ASN A 28 -17.591 -22.542 -34.229 1.00 0.00 C +ATOM 232 O ASN A 28 -16.990 -23.399 -31.499 1.00 0.00 O +ATOM 233 CG ASN A 28 -17.380 -23.428 -35.441 1.00 0.00 C +ATOM 234 ND2 ASN A 28 -16.590 -22.950 -36.395 1.00 0.00 N +ATOM 235 OD1 ASN A 28 -17.922 -24.534 -35.519 1.00 0.00 O +ATOM 236 N ASN A 29 -18.292 -25.089 -31.720 1.00 0.00 N +ATOM 237 CA ASN A 29 -17.878 -26.072 -30.724 1.00 0.00 C +ATOM 238 C ASN A 29 -16.391 -26.394 -30.837 1.00 0.00 C +ATOM 239 CB ASN A 29 -18.709 -27.350 -30.853 1.00 0.00 C +ATOM 240 O ASN A 29 -15.870 -27.218 -30.084 1.00 0.00 O +ATOM 241 CG ASN A 29 -20.077 -27.225 -30.211 1.00 0.00 C +ATOM 242 ND2 ASN A 29 -20.959 -28.173 -30.505 1.00 0.00 N +ATOM 243 OD1 ASN A 29 -20.339 -26.284 -29.458 1.00 0.00 O +ATOM 244 N ASN A 30 -15.578 -25.733 -31.636 1.00 0.00 N +ATOM 245 CA ASN A 30 -14.126 -25.594 -31.635 1.00 0.00 C +ATOM 246 C ASN A 30 -13.699 -24.165 -31.313 1.00 0.00 C +ATOM 247 CB ASN A 30 -13.543 -26.031 -32.981 1.00 0.00 C +ATOM 248 O ASN A 30 -13.079 -23.496 -32.141 1.00 0.00 O +ATOM 249 CG ASN A 30 -13.334 -27.530 -33.067 1.00 0.00 C +ATOM 250 ND2 ASN A 30 -13.237 -28.046 -34.287 1.00 0.00 N +ATOM 251 OD1 ASN A 30 -13.262 -28.219 -32.046 1.00 0.00 O +ATOM 252 N THR A 31 -14.245 -23.568 -30.256 1.00 0.00 N +ATOM 253 CA THR A 31 -14.137 -22.246 -29.649 1.00 0.00 C +ATOM 254 C THR A 31 -12.730 -22.012 -29.109 1.00 0.00 C +ATOM 255 CB THR A 31 -15.162 -22.067 -28.514 1.00 0.00 C +ATOM 256 O THR A 31 -12.496 -22.116 -27.903 1.00 0.00 O +ATOM 257 CG2 THR A 31 -16.580 -21.954 -29.065 1.00 0.00 C +ATOM 258 OG1 THR A 31 -15.092 -23.195 -27.633 1.00 0.00 O +ATOM 259 N ARG A 32 -11.686 -22.242 -29.975 1.00 0.00 N +ATOM 260 CA ARG A 32 -10.538 -21.449 -29.547 1.00 0.00 C +ATOM 261 C ARG A 32 -10.932 -19.994 -29.318 1.00 0.00 C +ATOM 262 CB ARG A 32 -9.412 -21.532 -30.580 1.00 0.00 C +ATOM 263 O ARG A 32 -11.289 -19.286 -30.263 1.00 0.00 O +ATOM 264 CG ARG A 32 -8.712 -22.880 -30.623 1.00 0.00 C +ATOM 265 CD ARG A 32 -7.565 -22.889 -31.624 1.00 0.00 C +ATOM 266 NE ARG A 32 -6.876 -24.176 -31.642 1.00 0.00 N +ATOM 267 NH1 ARG A 32 -5.358 -23.574 -33.275 1.00 0.00 N +ATOM 268 NH2 ARG A 32 -5.290 -25.674 -32.360 1.00 0.00 N +ATOM 269 CZ ARG A 32 -5.843 -24.472 -32.426 1.00 0.00 C +ATOM 270 N ASP A 33 -11.223 -19.566 -28.092 1.00 0.00 N +ATOM 271 CA ASP A 33 -11.391 -18.177 -27.676 1.00 0.00 C +ATOM 272 C ASP A 33 -10.525 -17.243 -28.518 1.00 0.00 C +ATOM 273 CB ASP A 33 -11.051 -18.016 -26.193 1.00 0.00 C +ATOM 274 O ASP A 33 -9.302 -17.395 -28.563 1.00 0.00 O +ATOM 275 CG ASP A 33 -11.658 -16.767 -25.578 1.00 0.00 C +ATOM 276 OD1 ASP A 33 -11.884 -15.777 -26.306 1.00 0.00 O +ATOM 277 OD2 ASP A 33 -11.910 -16.773 -24.353 1.00 0.00 O +ATOM 278 N PRO A 34 -11.114 -16.450 -29.519 1.00 0.00 N +ATOM 279 CA PRO A 34 -10.297 -15.598 -30.387 1.00 0.00 C +ATOM 280 C PRO A 34 -9.311 -14.733 -29.606 1.00 0.00 C +ATOM 281 CB PRO A 34 -11.333 -14.731 -31.106 1.00 0.00 C +ATOM 282 O PRO A 34 -8.374 -14.180 -30.188 1.00 0.00 O +ATOM 283 CG PRO A 34 -12.510 -14.699 -30.185 1.00 0.00 C +ATOM 284 CD PRO A 34 -12.592 -16.017 -29.470 1.00 0.00 C +ATOM 285 N PHE A 35 -9.560 -14.796 -28.356 1.00 0.00 N +ATOM 286 CA PHE A 35 -8.717 -13.929 -27.541 1.00 0.00 C +ATOM 287 C PHE A 35 -7.502 -14.688 -27.021 1.00 0.00 C +ATOM 288 CB PHE A 35 -9.515 -13.350 -26.369 1.00 0.00 C +ATOM 289 O PHE A 35 -6.553 -14.082 -26.520 1.00 0.00 O +ATOM 290 CG PHE A 35 -10.651 -12.457 -26.790 1.00 0.00 C +ATOM 291 CD1 PHE A 35 -10.403 -11.190 -27.305 1.00 0.00 C +ATOM 292 CD2 PHE A 35 -11.967 -12.884 -26.671 1.00 0.00 C +ATOM 293 CE1 PHE A 35 -11.452 -10.361 -27.696 1.00 0.00 C +ATOM 294 CE2 PHE A 35 -13.020 -12.061 -27.059 1.00 0.00 C +ATOM 295 CZ PHE A 35 -12.761 -10.800 -27.570 1.00 0.00 C +ATOM 296 N VAL A 36 -7.508 -15.999 -27.091 1.00 0.00 N +ATOM 297 CA VAL A 36 -6.337 -16.834 -26.845 1.00 0.00 C +ATOM 298 C VAL A 36 -5.538 -16.996 -28.136 1.00 0.00 C +ATOM 299 CB VAL A 36 -6.735 -18.219 -26.288 1.00 0.00 C +ATOM 300 O VAL A 36 -5.771 -17.931 -28.906 1.00 0.00 O +ATOM 301 CG1 VAL A 36 -5.494 -19.023 -25.904 1.00 0.00 C +ATOM 302 CG2 VAL A 36 -7.666 -18.063 -25.087 1.00 0.00 C +ATOM 303 N GLY A 37 -4.751 -16.036 -28.365 1.00 0.00 N +ATOM 304 CA GLY A 37 -3.782 -16.171 -29.441 1.00 0.00 C +ATOM 305 C GLY A 37 -3.079 -17.515 -29.445 1.00 0.00 C +ATOM 306 O GLY A 37 -2.919 -18.141 -28.395 1.00 0.00 O +ATOM 307 N PRO A 38 -2.752 -18.141 -30.560 1.00 0.00 N +ATOM 308 CA PRO A 38 -2.294 -19.528 -30.677 1.00 0.00 C +ATOM 309 C PRO A 38 -1.034 -19.805 -29.861 1.00 0.00 C +ATOM 310 CB PRO A 38 -2.020 -19.684 -32.175 1.00 0.00 C +ATOM 311 O PRO A 38 -0.606 -20.957 -29.749 1.00 0.00 O +ATOM 312 CG PRO A 38 -1.767 -18.294 -32.663 1.00 0.00 C +ATOM 313 CD PRO A 38 -2.580 -17.342 -31.834 1.00 0.00 C +ATOM 314 N ASN A 39 -0.452 -18.772 -29.284 1.00 0.00 N +ATOM 315 CA ASN A 39 0.873 -18.894 -28.686 1.00 0.00 C +ATOM 316 C ASN A 39 0.815 -18.780 -27.165 1.00 0.00 C +ATOM 317 CB ASN A 39 1.822 -17.841 -29.262 1.00 0.00 C +ATOM 318 O ASN A 39 1.849 -18.644 -26.509 1.00 0.00 O +ATOM 319 CG ASN A 39 2.141 -18.079 -30.724 1.00 0.00 C +ATOM 320 ND2 ASN A 39 2.533 -17.023 -31.426 1.00 0.00 N +ATOM 321 OD1 ASN A 39 2.035 -19.204 -31.220 1.00 0.00 O +ATOM 322 N TYR A 40 -0.442 -18.718 -26.641 1.00 0.00 N +ATOM 323 CA TYR A 40 -0.497 -18.891 -25.194 1.00 0.00 C +ATOM 324 C TYR A 40 -0.250 -20.345 -24.809 1.00 0.00 C +ATOM 325 CB TYR A 40 -1.851 -18.429 -24.648 1.00 0.00 C +ATOM 326 O TYR A 40 -1.196 -21.101 -24.577 1.00 0.00 O +ATOM 327 CG TYR A 40 -1.999 -16.928 -24.584 1.00 0.00 C +ATOM 328 CD1 TYR A 40 -1.517 -16.207 -23.494 1.00 0.00 C +ATOM 329 CD2 TYR A 40 -2.623 -16.228 -25.611 1.00 0.00 C +ATOM 330 CE1 TYR A 40 -1.653 -14.824 -23.429 1.00 0.00 C +ATOM 331 CE2 TYR A 40 -2.764 -14.845 -25.557 1.00 0.00 C +ATOM 332 OH TYR A 40 -2.414 -12.784 -24.405 1.00 0.00 O +ATOM 333 CZ TYR A 40 -2.277 -14.153 -24.464 1.00 0.00 C +ATOM 334 N ASP A 41 1.032 -20.812 -25.089 1.00 12.43 N +ATOM 335 CA ASP A 41 1.410 -22.002 -24.332 1.00 12.43 C +ATOM 336 C ASP A 41 0.817 -21.970 -22.926 1.00 12.43 C +ATOM 337 CB ASP A 41 2.933 -22.130 -24.258 1.00 12.43 C +ATOM 338 O ASP A 41 1.213 -21.147 -22.098 1.00 12.43 O +ATOM 339 CG ASP A 41 3.549 -22.637 -25.550 1.00 12.43 C +ATOM 340 OD1 ASP A 41 2.878 -23.387 -26.293 1.00 12.43 O +ATOM 341 OD2 ASP A 41 4.717 -22.287 -25.827 1.00 12.43 O +ATOM 342 N ILE A 42 -0.188 -22.722 -22.724 1.00 0.00 N +ATOM 343 CA ILE A 42 -0.855 -22.890 -21.438 1.00 0.00 C +ATOM 344 C ILE A 42 0.176 -23.221 -20.361 1.00 0.00 C +ATOM 345 CB ILE A 42 -1.936 -23.993 -21.502 1.00 0.00 C +ATOM 346 O ILE A 42 0.833 -24.263 -20.422 1.00 0.00 O +ATOM 347 CG1 ILE A 42 -2.937 -23.695 -22.624 1.00 0.00 C +ATOM 348 CG2 ILE A 42 -2.649 -24.129 -20.154 1.00 0.00 C +ATOM 349 CD1 ILE A 42 -3.924 -24.823 -22.889 1.00 0.00 C +ATOM 350 N ALA A 43 0.745 -22.098 -19.722 1.00 0.00 N +ATOM 351 CA ALA A 43 1.511 -22.454 -18.530 1.00 0.00 C +ATOM 352 C ALA A 43 1.051 -23.794 -17.962 1.00 0.00 C +ATOM 353 CB ALA A 43 1.389 -21.361 -17.472 1.00 0.00 C +ATOM 354 O ALA A 43 -0.149 -24.078 -17.920 1.00 0.00 O +ATOM 355 N PRO A 44 1.940 -24.736 -17.656 1.00 0.00 N +ATOM 356 CA PRO A 44 1.531 -26.007 -17.053 1.00 0.00 C +ATOM 357 C PRO A 44 0.571 -25.822 -15.880 1.00 0.00 C +ATOM 358 CB PRO A 44 2.855 -26.617 -16.585 1.00 0.00 C +ATOM 359 O PRO A 44 0.743 -24.902 -15.077 1.00 0.00 O +ATOM 360 CG PRO A 44 3.895 -25.985 -17.453 1.00 0.00 C +ATOM 361 CD PRO A 44 3.458 -24.585 -17.778 1.00 0.00 C +ATOM 362 N ARG A 45 -0.457 -26.669 -15.666 1.00 0.00 N +ATOM 363 CA ARG A 45 -1.548 -26.590 -14.700 1.00 0.00 C +ATOM 364 C ARG A 45 -1.014 -26.394 -13.285 1.00 0.00 C +ATOM 365 CB ARG A 45 -2.415 -27.849 -14.763 1.00 0.00 C +ATOM 366 O ARG A 45 -1.650 -25.733 -12.461 1.00 0.00 O +ATOM 367 CG ARG A 45 -3.628 -27.808 -13.847 1.00 0.00 C +ATOM 368 CD ARG A 45 -4.546 -29.002 -14.073 1.00 0.00 C +ATOM 369 NE ARG A 45 -5.729 -28.941 -13.220 1.00 0.00 N +ATOM 370 NH1 ARG A 45 -6.655 -30.904 -14.012 1.00 0.00 N +ATOM 371 NH2 ARG A 45 -7.736 -29.693 -12.393 1.00 0.00 N +ATOM 372 CZ ARG A 45 -6.704 -29.846 -13.210 1.00 0.00 C +ATOM 373 N TRP A 46 0.253 -26.875 -12.952 1.00 0.00 N +ATOM 374 CA TRP A 46 0.859 -26.776 -11.629 1.00 0.00 C +ATOM 375 C TRP A 46 1.239 -25.334 -11.310 1.00 0.00 C +ATOM 376 CB TRP A 46 2.094 -27.675 -11.534 1.00 0.00 C +ATOM 377 O TRP A 46 1.194 -24.915 -10.151 1.00 0.00 O +ATOM 378 CG TRP A 46 3.210 -27.276 -12.453 1.00 0.00 C +ATOM 379 CD1 TRP A 46 3.507 -27.817 -13.673 1.00 0.00 C +ATOM 380 CD2 TRP A 46 4.182 -26.252 -12.221 1.00 0.00 C +ATOM 381 CE2 TRP A 46 5.038 -26.226 -13.344 1.00 0.00 C +ATOM 382 CE3 TRP A 46 4.412 -25.352 -11.171 1.00 0.00 C +ATOM 383 NE1 TRP A 46 4.605 -27.190 -14.214 1.00 0.00 N +ATOM 384 CH2 TRP A 46 6.311 -24.465 -12.406 1.00 0.00 C +ATOM 385 CZ2 TRP A 46 6.108 -25.334 -13.447 1.00 0.00 C +ATOM 386 CZ3 TRP A 46 5.477 -24.465 -11.276 1.00 0.00 C +ATOM 387 N VAL A 47 1.535 -24.520 -12.289 1.00 0.00 N +ATOM 388 CA VAL A 47 1.824 -23.103 -12.096 1.00 0.00 C +ATOM 389 C VAL A 47 0.557 -22.372 -11.658 1.00 0.00 C +ATOM 390 CB VAL A 47 2.394 -22.459 -13.380 1.00 0.00 C +ATOM 391 O VAL A 47 0.571 -21.628 -10.674 1.00 0.00 O +ATOM 392 CG1 VAL A 47 2.622 -20.962 -13.178 1.00 0.00 C +ATOM 393 CG2 VAL A 47 3.692 -23.150 -13.792 1.00 0.00 C +ATOM 394 N TYR A 48 -0.611 -22.679 -12.307 1.00 0.00 N +ATOM 395 CA TYR A 48 -1.896 -22.099 -11.934 1.00 0.00 C +ATOM 396 C TYR A 48 -2.297 -22.521 -10.526 1.00 0.00 C +ATOM 397 CB TYR A 48 -2.983 -22.512 -12.932 1.00 0.00 C +ATOM 398 O TYR A 48 -2.710 -21.688 -9.715 1.00 0.00 O +ATOM 399 CG TYR A 48 -2.816 -21.897 -14.300 1.00 0.00 C +ATOM 400 CD1 TYR A 48 -3.165 -20.569 -14.536 1.00 0.00 C +ATOM 401 CD2 TYR A 48 -2.310 -22.643 -15.360 1.00 0.00 C +ATOM 402 CE1 TYR A 48 -3.014 -19.999 -15.796 1.00 0.00 C +ATOM 403 CE2 TYR A 48 -2.156 -22.083 -16.624 1.00 0.00 C +ATOM 404 OH TYR A 48 -2.359 -20.203 -18.081 1.00 0.00 O +ATOM 405 CZ TYR A 48 -2.510 -20.763 -16.832 1.00 0.00 C +ATOM 406 N ASN A 49 -2.085 -23.746 -10.235 1.00 0.00 N +ATOM 407 CA ASN A 49 -2.352 -24.265 -8.897 1.00 0.00 C +ATOM 408 C ASN A 49 -1.450 -23.614 -7.853 1.00 0.00 C +ATOM 409 CB ASN A 49 -2.186 -25.786 -8.869 1.00 0.00 C +ATOM 410 O ASN A 49 -1.922 -23.187 -6.798 1.00 0.00 O +ATOM 411 CG ASN A 49 -3.267 -26.507 -9.650 1.00 0.00 C +ATOM 412 ND2 ASN A 49 -3.071 -27.800 -9.879 1.00 0.00 N +ATOM 413 OD1 ASN A 49 -4.269 -25.906 -10.046 1.00 0.00 O +ATOM 414 N ALA A 50 -0.177 -23.420 -8.146 1.00 2.33 N +ATOM 415 CA ALA A 50 0.775 -22.767 -7.250 1.00 2.33 C +ATOM 416 C ALA A 50 0.406 -21.303 -7.031 1.00 2.33 C +ATOM 417 CB ALA A 50 2.192 -22.879 -7.806 1.00 2.33 C +ATOM 418 O ALA A 50 0.380 -20.826 -5.893 1.00 2.33 O +ATOM 419 N CYS A 51 -0.033 -20.622 -8.065 1.00 1.64 N +ATOM 420 CA CYS A 51 -0.498 -19.241 -7.996 1.00 1.64 C +ATOM 421 C CYS A 51 -1.775 -19.136 -7.170 1.00 1.64 C +ATOM 422 CB CYS A 51 -0.741 -18.687 -9.400 1.00 1.64 C +ATOM 423 O CYS A 51 -1.908 -18.237 -6.338 1.00 1.64 O +ATOM 424 SG CYS A 51 0.773 -18.400 -10.342 1.00 1.64 S +ATOM 425 N THR A 52 -2.659 -20.052 -7.261 1.00 0.00 N +ATOM 426 CA THR A 52 -3.898 -20.107 -6.493 1.00 0.00 C +ATOM 427 C THR A 52 -3.607 -20.348 -5.015 1.00 0.00 C +ATOM 428 CB THR A 52 -4.833 -21.210 -7.021 1.00 0.00 C +ATOM 429 O THR A 52 -4.113 -19.628 -4.152 1.00 0.00 O +ATOM 430 CG2 THR A 52 -6.140 -21.245 -6.236 1.00 0.00 C +ATOM 431 OG1 THR A 52 -5.125 -20.960 -8.402 1.00 0.00 O +ATOM 432 N VAL A 53 -2.734 -21.279 -4.770 1.00 0.00 N +ATOM 433 CA VAL A 53 -2.338 -21.579 -3.398 1.00 0.00 C +ATOM 434 C VAL A 53 -1.656 -20.361 -2.778 1.00 0.00 C +ATOM 435 CB VAL A 53 -1.401 -22.805 -3.333 1.00 0.00 C +ATOM 436 O VAL A 53 -1.983 -19.962 -1.658 1.00 0.00 O +ATOM 437 CG1 VAL A 53 -0.803 -22.955 -1.935 1.00 0.00 C +ATOM 438 CG2 VAL A 53 -2.152 -24.073 -3.734 1.00 0.00 C +ATOM 439 N TRP A 54 -0.810 -19.721 -3.490 1.00 0.00 N +ATOM 440 CA TRP A 54 -0.149 -18.496 -3.050 1.00 0.00 C +ATOM 441 C TRP A 54 -1.168 -17.393 -2.783 1.00 0.00 C +ATOM 442 CB TRP A 54 0.867 -18.028 -4.095 1.00 0.00 C +ATOM 443 O TRP A 54 -1.144 -16.761 -1.724 1.00 0.00 O +ATOM 444 CG TRP A 54 1.494 -16.702 -3.784 1.00 0.00 C +ATOM 445 CD1 TRP A 54 1.264 -15.513 -4.418 1.00 0.00 C +ATOM 446 CD2 TRP A 54 2.458 -16.432 -2.762 1.00 0.00 C +ATOM 447 CE2 TRP A 54 2.769 -15.056 -2.834 1.00 0.00 C +ATOM 448 CE3 TRP A 54 3.090 -17.221 -1.791 1.00 0.00 C +ATOM 449 NE1 TRP A 54 2.028 -14.519 -3.851 1.00 0.00 N +ATOM 450 CH2 TRP A 54 4.289 -15.246 -1.029 1.00 0.00 C +ATOM 451 CZ2 TRP A 54 3.686 -14.452 -1.970 1.00 0.00 C +ATOM 452 CZ3 TRP A 54 4.001 -16.618 -0.932 1.00 0.00 C +ATOM 453 N MET A 55 -2.190 -17.208 -3.655 1.00 0.00 N +ATOM 454 CA MET A 55 -3.219 -16.184 -3.503 1.00 0.00 C +ATOM 455 C MET A 55 -4.086 -16.460 -2.279 1.00 0.00 C +ATOM 456 CB MET A 55 -4.092 -16.108 -4.756 1.00 0.00 C +ATOM 457 O MET A 55 -4.364 -15.554 -1.492 1.00 0.00 O +ATOM 458 CG MET A 55 -3.414 -15.429 -5.936 1.00 0.00 C +ATOM 459 SD MET A 55 -2.976 -13.682 -5.584 1.00 0.00 S +ATOM 460 CE MET A 55 -4.633 -12.955 -5.458 1.00 0.00 C +ATOM 461 N ILE A 56 -4.420 -17.722 -2.072 1.00 0.00 N +ATOM 462 CA ILE A 56 -5.173 -18.116 -0.887 1.00 0.00 C +ATOM 463 C ILE A 56 -4.360 -17.806 0.368 1.00 0.00 C +ATOM 464 CB ILE A 56 -5.546 -19.615 -0.927 1.00 0.00 C +ATOM 465 O ILE A 56 -4.878 -17.219 1.321 1.00 0.00 O +ATOM 466 CG1 ILE A 56 -6.583 -19.879 -2.025 1.00 0.00 C +ATOM 467 CG2 ILE A 56 -6.063 -20.080 0.438 1.00 0.00 C +ATOM 468 CD1 ILE A 56 -6.774 -21.352 -2.356 1.00 0.00 C +ATOM 469 N PHE A 57 -3.072 -18.109 0.358 1.00 0.36 N +ATOM 470 CA PHE A 57 -2.172 -17.784 1.459 1.00 0.36 C +ATOM 471 C PHE A 57 -2.115 -16.278 1.684 1.00 0.36 C +ATOM 472 CB PHE A 57 -0.767 -18.328 1.185 1.00 0.36 C +ATOM 473 O PHE A 57 -2.286 -15.806 2.811 1.00 0.36 O +ATOM 474 CG PHE A 57 0.264 -17.876 2.184 1.00 0.36 C +ATOM 475 CD1 PHE A 57 0.369 -18.496 3.424 1.00 0.36 C +ATOM 476 CD2 PHE A 57 1.129 -16.832 1.884 1.00 0.36 C +ATOM 477 CE1 PHE A 57 1.322 -18.081 4.351 1.00 0.36 C +ATOM 478 CE2 PHE A 57 2.084 -16.411 2.805 1.00 0.36 C +ATOM 479 CZ PHE A 57 2.178 -17.036 4.038 1.00 0.36 C +ATOM 480 N VAL A 58 -1.949 -15.451 0.638 1.00 0.00 N +ATOM 481 CA VAL A 58 -1.880 -13.995 0.712 1.00 0.00 C +ATOM 482 C VAL A 58 -3.187 -13.443 1.275 1.00 0.00 C +ATOM 483 CB VAL A 58 -1.590 -13.370 -0.671 1.00 0.00 C +ATOM 484 O VAL A 58 -3.175 -12.585 2.162 1.00 0.00 O +ATOM 485 CG1 VAL A 58 -1.805 -11.858 -0.637 1.00 0.00 C +ATOM 486 CG2 VAL A 58 -0.166 -13.700 -1.117 1.00 0.00 C +ATOM 487 N VAL A 59 -4.324 -13.942 0.919 1.00 0.00 N +ATOM 488 CA VAL A 59 -5.631 -13.518 1.410 1.00 0.00 C +ATOM 489 C VAL A 59 -5.729 -13.779 2.911 1.00 0.00 C +ATOM 490 CB VAL A 59 -6.778 -14.239 0.667 1.00 0.00 C +ATOM 491 O VAL A 59 -6.008 -12.865 3.690 1.00 0.00 O +ATOM 492 CG1 VAL A 59 -8.116 -13.976 1.356 1.00 0.00 C +ATOM 493 CG2 VAL A 59 -6.829 -13.795 -0.794 1.00 0.00 C +ATOM 494 N ILE A 60 -5.445 -15.026 3.311 1.00 0.00 N +ATOM 495 CA ILE A 60 -5.552 -15.412 4.714 1.00 0.00 C +ATOM 496 C ILE A 60 -4.593 -14.572 5.555 1.00 0.00 C +ATOM 497 CB ILE A 60 -5.260 -16.917 4.910 1.00 0.00 C +ATOM 498 O ILE A 60 -4.990 -13.996 6.570 1.00 0.00 O +ATOM 499 CG1 ILE A 60 -6.360 -17.763 4.258 1.00 0.00 C +ATOM 500 CG2 ILE A 60 -5.121 -17.250 6.398 1.00 0.00 C +ATOM 501 CD1 ILE A 60 -6.024 -19.245 4.161 1.00 0.00 C +ATOM 502 N ALA A 61 -3.369 -14.404 5.113 1.00 0.00 N +ATOM 503 CA ALA A 61 -2.341 -13.656 5.833 1.00 0.00 C +ATOM 504 C ALA A 61 -2.679 -12.169 5.882 1.00 0.00 C +ATOM 505 CB ALA A 61 -0.976 -13.868 5.184 1.00 0.00 C +ATOM 506 O ALA A 61 -2.570 -11.536 6.935 1.00 0.00 O +ATOM 507 N SER A 62 -3.171 -11.548 4.809 1.00 0.00 N +ATOM 508 CA SER A 62 -3.574 -10.148 4.724 1.00 0.00 C +ATOM 509 C SER A 62 -4.792 -9.870 5.598 1.00 0.00 C +ATOM 510 CB SER A 62 -3.876 -9.764 3.275 1.00 0.00 C +ATOM 511 O SER A 62 -4.785 -8.937 6.404 1.00 0.00 O +ATOM 512 OG SER A 62 -4.247 -8.399 3.184 1.00 0.00 O +ATOM 513 N LEU A 63 -5.786 -10.724 5.573 1.00 0.90 N +ATOM 514 CA LEU A 63 -6.968 -10.576 6.415 1.00 0.90 C +ATOM 515 C LEU A 63 -6.601 -10.682 7.892 1.00 0.90 C +ATOM 516 CB LEU A 63 -8.015 -11.635 6.060 1.00 0.90 C +ATOM 517 O LEU A 63 -7.080 -9.897 8.713 1.00 0.90 O +ATOM 518 CG LEU A 63 -8.731 -11.458 4.720 1.00 0.90 C +ATOM 519 CD1 LEU A 63 -9.668 -12.633 4.461 1.00 0.90 C +ATOM 520 CD2 LEU A 63 -9.498 -10.140 4.693 1.00 0.90 C +ATOM 521 N PHE A 64 -5.744 -11.615 8.211 1.00 0.00 N +ATOM 522 CA PHE A 64 -5.279 -11.778 9.584 1.00 0.00 C +ATOM 523 C PHE A 64 -4.488 -10.556 10.036 1.00 0.00 C +ATOM 524 CB PHE A 64 -4.418 -13.038 9.715 1.00 0.00 C +ATOM 525 O PHE A 64 -4.812 -9.943 11.056 1.00 0.00 O +ATOM 526 CG PHE A 64 -3.841 -13.238 11.091 1.00 0.00 C +ATOM 527 CD1 PHE A 64 -4.628 -13.731 12.125 1.00 0.00 C +ATOM 528 CD2 PHE A 64 -2.511 -12.934 11.350 1.00 0.00 C +ATOM 529 CE1 PHE A 64 -4.097 -13.917 13.399 1.00 0.00 C +ATOM 530 CE2 PHE A 64 -1.973 -13.118 12.621 1.00 0.00 C +ATOM 531 CZ PHE A 64 -2.768 -13.608 13.644 1.00 0.00 C +ATOM 532 N THR A 65 -3.462 -10.072 9.293 1.00 0.00 N +ATOM 533 CA THR A 65 -2.557 -9.003 9.700 1.00 0.00 C +ATOM 534 C THR A 65 -3.280 -7.659 9.713 1.00 0.00 C +ATOM 535 CB THR A 65 -1.334 -8.921 8.769 1.00 0.00 C +ATOM 536 O THR A 65 -3.201 -6.915 10.693 1.00 0.00 O +ATOM 537 CG2 THR A 65 -0.423 -10.132 8.950 1.00 0.00 C +ATOM 538 OG1 THR A 65 -1.779 -8.872 7.407 1.00 0.00 O +ATOM 539 N ASN A 66 -4.071 -7.330 8.659 1.00 0.00 N +ATOM 540 CA ASN A 66 -4.844 -6.094 8.609 1.00 0.00 C +ATOM 541 C ASN A 66 -6.009 -6.122 9.595 1.00 0.00 C +ATOM 542 CB ASN A 66 -5.356 -5.837 7.190 1.00 0.00 C +ATOM 543 O ASN A 66 -6.302 -5.117 10.246 1.00 0.00 O +ATOM 544 CG ASN A 66 -4.261 -5.371 6.251 1.00 0.00 C +ATOM 545 ND2 ASN A 66 -3.894 -6.222 5.299 1.00 0.00 N +ATOM 546 OD1 ASN A 66 -3.748 -4.256 6.380 1.00 0.00 O +ATOM 547 N GLY A 67 -6.674 -7.282 9.814 1.00 0.00 N +ATOM 548 CA GLY A 67 -7.661 -7.480 10.863 1.00 0.00 C +ATOM 549 C GLY A 67 -7.119 -7.201 12.252 1.00 0.00 C +ATOM 550 O GLY A 67 -7.758 -6.506 13.046 1.00 0.00 O +ATOM 551 N LEU A 68 -5.893 -7.620 12.573 1.00 0.00 N +ATOM 552 CA LEU A 68 -5.214 -7.338 13.833 1.00 0.00 C +ATOM 553 C LEU A 68 -5.006 -5.839 14.015 1.00 0.00 C +ATOM 554 CB LEU A 68 -3.866 -8.062 13.889 1.00 0.00 C +ATOM 555 O LEU A 68 -5.191 -5.311 15.115 1.00 0.00 O +ATOM 556 CG LEU A 68 -3.915 -9.566 14.162 1.00 0.00 C +ATOM 557 CD1 LEU A 68 -2.510 -10.158 14.125 1.00 0.00 C +ATOM 558 CD2 LEU A 68 -4.582 -9.845 15.505 1.00 0.00 C +ATOM 559 N VAL A 69 -4.686 -5.121 12.955 1.00 0.00 N +ATOM 560 CA VAL A 69 -4.521 -3.671 12.989 1.00 0.00 C +ATOM 561 C VAL A 69 -5.850 -3.007 13.342 1.00 0.00 C +ATOM 562 CB VAL A 69 -3.995 -3.128 11.641 1.00 0.00 C +ATOM 563 O VAL A 69 -5.912 -2.169 14.245 1.00 0.00 O +ATOM 564 CG1 VAL A 69 -4.026 -1.601 11.625 1.00 0.00 C +ATOM 565 CG2 VAL A 69 -2.581 -3.640 11.375 1.00 0.00 C +ATOM 566 N LEU A 70 -6.960 -3.397 12.716 1.00 0.00 N +ATOM 567 CA LEU A 70 -8.288 -2.840 12.947 1.00 0.00 C +ATOM 568 C LEU A 70 -8.762 -3.136 14.367 1.00 0.00 C +ATOM 569 CB LEU A 70 -9.290 -3.402 11.935 1.00 0.00 C +ATOM 570 O LEU A 70 -9.176 -2.227 15.090 1.00 0.00 O +ATOM 571 CG LEU A 70 -9.061 -3.022 10.472 1.00 0.00 C +ATOM 572 CD1 LEU A 70 -10.153 -3.620 9.591 1.00 0.00 C +ATOM 573 CD2 LEU A 70 -9.011 -1.506 10.315 1.00 0.00 C +ATOM 574 N VAL A 71 -8.607 -4.389 14.878 1.00 0.00 N +ATOM 575 CA VAL A 71 -9.022 -4.817 16.210 1.00 0.00 C +ATOM 576 C VAL A 71 -8.186 -4.100 17.268 1.00 0.00 C +ATOM 577 CB VAL A 71 -8.896 -6.348 16.379 1.00 0.00 C +ATOM 578 O VAL A 71 -8.725 -3.586 18.251 1.00 0.00 O +ATOM 579 CG1 VAL A 71 -9.115 -6.750 17.836 1.00 0.00 C +ATOM 580 CG2 VAL A 71 -9.888 -7.068 15.468 1.00 0.00 C +ATOM 581 N ALA A 72 -6.863 -3.962 17.061 1.00 0.00 N +ATOM 582 CA ALA A 72 -5.981 -3.268 17.996 1.00 0.00 C +ATOM 583 C ALA A 72 -6.343 -1.789 18.097 1.00 0.00 C +ATOM 584 CB ALA A 72 -4.523 -3.428 17.571 1.00 0.00 C +ATOM 585 O ALA A 72 -6.516 -1.259 19.197 1.00 0.00 O +ATOM 586 N THR A 73 -6.586 -1.070 16.976 1.00 0.00 N +ATOM 587 CA THR A 73 -6.901 0.354 16.950 1.00 0.00 C +ATOM 588 C THR A 73 -8.277 0.615 17.556 1.00 0.00 C +ATOM 589 CB THR A 73 -6.856 0.910 15.515 1.00 0.00 C +ATOM 590 O THR A 73 -8.467 1.596 18.278 1.00 0.00 O +ATOM 591 CG2 THR A 73 -7.086 2.417 15.501 1.00 0.00 C +ATOM 592 OG1 THR A 73 -5.574 0.628 14.939 1.00 0.00 O +ATOM 593 N ALA A 74 -9.267 -0.336 17.375 1.00 0.00 N +ATOM 594 CA ALA A 74 -10.606 -0.234 17.949 1.00 0.00 C +ATOM 595 C ALA A 74 -10.574 -0.446 19.459 1.00 0.00 C +ATOM 596 CB ALA A 74 -11.545 -1.244 17.292 1.00 0.00 C +ATOM 597 O ALA A 74 -11.186 0.314 20.213 1.00 0.00 O +ATOM 598 N LYS A 75 -9.801 -1.359 19.897 1.00 0.00 N +ATOM 599 CA LYS A 75 -9.774 -1.781 21.294 1.00 0.00 C +ATOM 600 C LYS A 75 -8.969 -0.804 22.148 1.00 0.00 C +ATOM 601 CB LYS A 75 -9.191 -3.189 21.419 1.00 0.00 C +ATOM 602 O LYS A 75 -9.393 -0.436 23.245 1.00 0.00 O +ATOM 603 CG LYS A 75 -9.198 -3.739 22.837 1.00 0.00 C +ATOM 604 CD LYS A 75 -8.844 -5.221 22.864 1.00 0.00 C +ATOM 605 CE LYS A 75 -8.869 -5.776 24.282 1.00 0.00 C +ATOM 606 NZ LYS A 75 -8.613 -7.248 24.304 1.00 0.00 N +ATOM 607 N PHE A 76 -7.859 -0.285 21.703 1.00 0.00 N +ATOM 608 CA PHE A 76 -6.916 0.465 22.524 1.00 0.00 C +ATOM 609 C PHE A 76 -7.016 1.958 22.235 1.00 0.00 C +ATOM 610 CB PHE A 76 -5.484 -0.022 22.282 1.00 0.00 C +ATOM 611 O PHE A 76 -6.545 2.428 21.197 1.00 0.00 O +ATOM 612 CG PHE A 76 -5.252 -1.451 22.691 1.00 0.00 C +ATOM 613 CD1 PHE A 76 -5.139 -1.795 24.033 1.00 0.00 C +ATOM 614 CD2 PHE A 76 -5.146 -2.452 21.733 1.00 0.00 C +ATOM 615 CE1 PHE A 76 -4.924 -3.118 24.414 1.00 0.00 C +ATOM 616 CE2 PHE A 76 -4.932 -3.775 22.107 1.00 0.00 C +ATOM 617 CZ PHE A 76 -4.820 -4.106 23.448 1.00 0.00 C +ATOM 618 N LYS A 77 -7.501 2.731 23.262 1.00 0.00 N +ATOM 619 CA LYS A 77 -7.722 4.171 23.165 1.00 0.00 C +ATOM 620 C LYS A 77 -6.423 4.907 22.854 1.00 0.00 C +ATOM 621 CB LYS A 77 -8.332 4.709 24.461 1.00 0.00 C +ATOM 622 O LYS A 77 -6.426 5.904 22.129 1.00 0.00 O +ATOM 623 CG LYS A 77 -9.781 4.301 24.679 1.00 0.00 C +ATOM 624 CD LYS A 77 -10.367 4.961 25.921 1.00 0.00 C +ATOM 625 CE LYS A 77 -11.816 4.550 26.143 1.00 0.00 C +ATOM 626 NZ LYS A 77 -12.378 5.152 27.390 1.00 0.00 N +ATOM 627 N LYS A 78 -5.317 4.369 23.316 1.00 0.00 N +ATOM 628 CA LYS A 78 -3.985 4.932 23.119 1.00 0.00 C +ATOM 629 C LYS A 78 -3.584 4.897 21.647 1.00 0.00 C +ATOM 630 CB LYS A 78 -2.954 4.178 23.961 1.00 0.00 C +ATOM 631 O LYS A 78 -2.714 5.657 21.217 1.00 0.00 O +ATOM 632 CG LYS A 78 -2.861 2.694 23.642 1.00 0.00 C +ATOM 633 CD LYS A 78 -1.834 1.995 24.525 1.00 0.00 C +ATOM 634 CE LYS A 78 -1.691 0.524 24.161 1.00 0.00 C +ATOM 635 NZ LYS A 78 -0.709 -0.173 25.045 1.00 0.00 N +ATOM 636 N LEU A 79 -4.244 4.101 20.807 1.00 0.00 N +ATOM 637 CA LEU A 79 -4.001 4.005 19.372 1.00 0.00 C +ATOM 638 C LEU A 79 -4.930 4.935 18.599 1.00 0.00 C +ATOM 639 CB LEU A 79 -4.188 2.563 18.892 1.00 0.00 C +ATOM 640 O LEU A 79 -4.910 4.956 17.366 1.00 0.00 O +ATOM 641 CG LEU A 79 -3.218 1.527 19.462 1.00 0.00 C +ATOM 642 CD1 LEU A 79 -3.478 0.159 18.840 1.00 0.00 C +ATOM 643 CD2 LEU A 79 -1.775 1.960 19.229 1.00 0.00 C +ATOM 644 N ARG A 80 -5.696 5.743 19.241 1.00 0.00 N +ATOM 645 CA ARG A 80 -6.549 6.701 18.544 1.00 0.00 C +ATOM 646 C ARG A 80 -5.788 7.985 18.230 1.00 0.00 C +ATOM 647 CB ARG A 80 -7.792 7.019 19.377 1.00 0.00 C +ATOM 648 O ARG A 80 -6.338 9.082 18.346 1.00 0.00 O +ATOM 649 CG ARG A 80 -8.706 5.825 19.601 1.00 0.00 C +ATOM 650 CD ARG A 80 -10.011 6.231 20.272 1.00 0.00 C +ATOM 651 NE ARG A 80 -10.890 5.084 20.480 1.00 0.00 N +ATOM 652 NH1 ARG A 80 -12.552 6.287 21.542 1.00 0.00 N +ATOM 653 NH2 ARG A 80 -12.795 4.031 21.214 1.00 0.00 N +ATOM 654 CZ ARG A 80 -12.077 5.137 21.078 1.00 0.00 C +ATOM 655 N HIS A 81 -4.563 7.903 17.899 1.00 0.00 N +ATOM 656 CA HIS A 81 -3.699 8.951 17.366 1.00 0.00 C +ATOM 657 C HIS A 81 -3.918 9.138 15.869 1.00 0.00 C +ATOM 658 CB HIS A 81 -2.230 8.628 17.646 1.00 0.00 C +ATOM 659 O HIS A 81 -4.193 8.173 15.152 1.00 0.00 O +ATOM 660 CG HIS A 81 -1.301 9.764 17.359 1.00 0.00 C +ATOM 661 CD2 HIS A 81 -0.923 10.818 18.121 1.00 0.00 C +ATOM 662 ND1 HIS A 81 -0.642 9.901 16.156 1.00 0.00 N +ATOM 663 CE1 HIS A 81 0.103 10.993 16.192 1.00 0.00 C +ATOM 664 NE2 HIS A 81 -0.049 11.568 17.373 1.00 0.00 N +ATOM 665 N PRO A 82 -3.737 10.333 15.250 1.00 0.00 N +ATOM 666 CA PRO A 82 -4.021 10.627 13.843 1.00 0.00 C +ATOM 667 C PRO A 82 -3.283 9.695 12.885 1.00 0.00 C +ATOM 668 CB PRO A 82 -3.539 12.071 13.680 1.00 0.00 C +ATOM 669 O PRO A 82 -3.882 9.175 11.939 1.00 0.00 O +ATOM 670 CG PRO A 82 -3.805 12.713 15.003 1.00 0.00 C +ATOM 671 CD PRO A 82 -3.516 11.714 16.086 1.00 0.00 C +ATOM 672 N LEU A 83 -2.035 9.352 13.200 1.00 0.00 N +ATOM 673 CA LEU A 83 -1.238 8.414 12.418 1.00 0.00 C +ATOM 674 C LEU A 83 -1.922 7.054 12.337 1.00 0.00 C +ATOM 675 CB LEU A 83 0.159 8.260 13.027 1.00 0.00 C +ATOM 676 O LEU A 83 -1.914 6.411 11.285 1.00 0.00 O +ATOM 677 CG LEU A 83 1.091 7.261 12.341 1.00 0.00 C +ATOM 678 CD1 LEU A 83 1.392 7.709 10.914 1.00 0.00 C +ATOM 679 CD2 LEU A 83 2.381 7.098 13.138 1.00 0.00 C +ATOM 680 N ASN A 84 -2.534 6.642 13.395 1.00 0.00 N +ATOM 681 CA ASN A 84 -3.172 5.331 13.435 1.00 0.00 C +ATOM 682 C ASN A 84 -4.461 5.309 12.620 1.00 0.00 C +ATOM 683 CB ASN A 84 -3.450 4.913 14.881 1.00 0.00 C +ATOM 684 O ASN A 84 -4.847 4.266 12.088 1.00 0.00 O +ATOM 685 CG ASN A 84 -2.181 4.709 15.685 1.00 0.00 C +ATOM 686 ND2 ASN A 84 -2.293 4.806 17.004 1.00 0.00 N +ATOM 687 OD1 ASN A 84 -1.109 4.467 15.124 1.00 0.00 O +ATOM 688 N TRP A 85 -5.141 6.429 12.389 1.00 0.00 N +ATOM 689 CA TRP A 85 -6.287 6.512 11.489 1.00 0.00 C +ATOM 690 C TRP A 85 -5.857 6.309 10.040 1.00 0.00 C +ATOM 691 CB TRP A 85 -6.993 7.863 11.640 1.00 0.00 C +ATOM 692 O TRP A 85 -6.561 5.660 9.262 1.00 0.00 O +ATOM 693 CG TRP A 85 -7.780 8.000 12.909 1.00 0.00 C +ATOM 694 CD1 TRP A 85 -7.521 8.845 13.952 1.00 0.00 C +ATOM 695 CD2 TRP A 85 -8.953 7.264 13.270 1.00 0.00 C +ATOM 696 CE2 TRP A 85 -9.353 7.716 14.547 1.00 0.00 C +ATOM 697 CE3 TRP A 85 -9.706 6.266 12.637 1.00 0.00 C +ATOM 698 NE1 TRP A 85 -8.463 8.679 14.941 1.00 0.00 N +ATOM 699 CH2 TRP A 85 -11.193 6.228 14.562 1.00 0.00 C +ATOM 700 CZ2 TRP A 85 -10.474 7.203 15.203 1.00 0.00 C +ATOM 701 CZ3 TRP A 85 -10.821 5.757 13.292 1.00 0.00 C +ATOM 702 N ILE A 86 -4.679 6.777 9.690 1.00 0.00 N +ATOM 703 CA ILE A 86 -4.128 6.539 8.360 1.00 0.00 C +ATOM 704 C ILE A 86 -3.778 5.061 8.204 1.00 0.00 C +ATOM 705 CB ILE A 86 -2.883 7.416 8.100 1.00 0.00 C +ATOM 706 O ILE A 86 -4.043 4.461 7.160 1.00 0.00 O +ATOM 707 CG1 ILE A 86 -3.213 8.895 8.329 1.00 0.00 C +ATOM 708 CG2 ILE A 86 -2.348 7.187 6.683 1.00 0.00 C +ATOM 709 CD1 ILE A 86 -1.989 9.786 8.486 1.00 0.00 C +ATOM 710 N LEU A 87 -3.382 4.431 9.238 1.00 0.00 N +ATOM 711 CA LEU A 87 -3.083 3.004 9.236 1.00 0.00 C +ATOM 712 C LEU A 87 -4.363 2.180 9.143 1.00 0.00 C +ATOM 713 CB LEU A 87 -2.304 2.617 10.496 1.00 0.00 C +ATOM 714 O LEU A 87 -4.395 1.147 8.471 1.00 0.00 O +ATOM 715 CG LEU A 87 -0.877 3.158 10.604 1.00 0.00 C +ATOM 716 CD1 LEU A 87 -0.315 2.897 11.997 1.00 0.00 C +ATOM 717 CD2 LEU A 87 0.014 2.534 9.536 1.00 0.00 C +ATOM 718 N VAL A 88 -5.400 2.587 9.836 1.00 0.00 N +ATOM 719 CA VAL A 88 -6.721 1.983 9.696 1.00 0.00 C +ATOM 720 C VAL A 88 -7.199 2.115 8.252 1.00 0.00 C +ATOM 721 CB VAL A 88 -7.745 2.627 10.657 1.00 0.00 C +ATOM 722 O VAL A 88 -7.681 1.147 7.659 1.00 0.00 O +ATOM 723 CG1 VAL A 88 -9.168 2.217 10.284 1.00 0.00 C +ATOM 724 CG2 VAL A 88 -7.436 2.240 12.102 1.00 0.00 C +ATOM 725 N ASN A 89 -6.987 3.261 7.634 1.00 0.00 N +ATOM 726 CA ASN A 89 -7.336 3.480 6.234 1.00 0.00 C +ATOM 727 C ASN A 89 -6.543 2.561 5.309 1.00 0.00 C +ATOM 728 CB ASN A 89 -7.114 4.943 5.848 1.00 0.00 C +ATOM 729 O ASN A 89 -7.112 1.933 4.415 1.00 0.00 O +ATOM 730 CG ASN A 89 -7.498 5.233 4.411 1.00 0.00 C +ATOM 731 ND2 ASN A 89 -6.504 5.502 3.573 1.00 0.00 N +ATOM 732 OD1 ASN A 89 -8.680 5.216 4.056 1.00 0.00 O +ATOM 733 N LEU A 90 -5.261 2.434 5.529 1.00 0.00 N +ATOM 734 CA LEU A 90 -4.397 1.518 4.792 1.00 0.00 C +ATOM 735 C LEU A 90 -4.873 0.078 4.947 1.00 0.00 C +ATOM 736 CB LEU A 90 -2.949 1.643 5.273 1.00 0.00 C +ATOM 737 O LEU A 90 -5.091 -0.619 3.953 1.00 0.00 O +ATOM 738 CG LEU A 90 -1.928 0.726 4.598 1.00 0.00 C +ATOM 739 CD1 LEU A 90 -1.872 1.007 3.100 1.00 0.00 C +ATOM 740 CD2 LEU A 90 -0.552 0.898 5.232 1.00 0.00 C +ATOM 741 N ALA A 91 -5.228 -0.346 6.149 1.00 0.00 N +ATOM 742 CA ALA A 91 -5.709 -1.694 6.438 1.00 0.00 C +ATOM 743 C ALA A 91 -7.059 -1.949 5.772 1.00 0.00 C +ATOM 744 CB ALA A 91 -5.814 -1.911 7.945 1.00 0.00 C +ATOM 745 O ALA A 91 -7.316 -3.049 5.276 1.00 0.00 O +ATOM 746 N VAL A 92 -7.934 -0.967 5.700 1.00 0.00 N +ATOM 747 CA VAL A 92 -9.230 -1.056 5.037 1.00 0.00 C +ATOM 748 C VAL A 92 -9.032 -1.158 3.526 1.00 0.00 C +ATOM 749 CB VAL A 92 -10.127 0.155 5.377 1.00 0.00 C +ATOM 750 O VAL A 92 -9.668 -1.982 2.865 1.00 0.00 O +ATOM 751 CG1 VAL A 92 -11.360 0.184 4.476 1.00 0.00 C +ATOM 752 CG2 VAL A 92 -10.537 0.119 6.848 1.00 0.00 C +ATOM 753 N ALA A 93 -8.120 -0.401 2.967 1.00 0.00 N +ATOM 754 CA ALA A 93 -7.777 -0.462 1.548 1.00 0.00 C +ATOM 755 C ALA A 93 -7.185 -1.821 1.184 1.00 0.00 C +ATOM 756 CB ALA A 93 -6.799 0.654 1.189 1.00 0.00 C +ATOM 757 O ALA A 93 -7.648 -2.476 0.248 1.00 0.00 O +ATOM 758 N ASP A 94 -6.277 -2.351 1.971 1.00 0.00 N +ATOM 759 CA ASP A 94 -5.609 -3.635 1.782 1.00 0.00 C +ATOM 760 C ASP A 94 -6.599 -4.792 1.899 1.00 0.00 C +ATOM 761 CB ASP A 94 -4.478 -3.807 2.797 1.00 0.00 C +ATOM 762 O ASP A 94 -6.555 -5.737 1.108 1.00 0.00 O +ATOM 763 CG ASP A 94 -3.266 -2.946 2.485 1.00 0.00 C +ATOM 764 OD1 ASP A 94 -3.188 -2.383 1.372 1.00 0.00 O +ATOM 765 OD2 ASP A 94 -2.380 -2.832 3.360 1.00 0.00 O +ATOM 766 N ILE A 95 -7.554 -4.745 2.853 1.00 0.00 N +ATOM 767 CA ILE A 95 -8.611 -5.742 2.989 1.00 0.00 C +ATOM 768 C ILE A 95 -9.541 -5.675 1.779 1.00 0.00 C +ATOM 769 CB ILE A 95 -9.413 -5.540 4.294 1.00 0.00 C +ATOM 770 O ILE A 95 -9.901 -6.707 1.208 1.00 0.00 O +ATOM 771 CG1 ILE A 95 -8.590 -5.998 5.503 1.00 0.00 C +ATOM 772 CG2 ILE A 95 -10.749 -6.285 4.227 1.00 0.00 C +ATOM 773 CD1 ILE A 95 -9.172 -5.575 6.844 1.00 0.00 C +ATOM 774 N GLY A 96 -9.963 -4.452 1.383 1.00 0.31 N +ATOM 775 CA GLY A 96 -10.781 -4.269 0.195 1.00 0.31 C +ATOM 776 C GLY A 96 -10.138 -4.820 -1.063 1.00 0.31 C +ATOM 777 O GLY A 96 -10.747 -5.617 -1.780 1.00 0.31 O +ATOM 778 N GLU A 97 -8.884 -4.524 -1.307 1.00 0.00 N +ATOM 779 CA GLU A 97 -8.091 -5.048 -2.416 1.00 0.00 C +ATOM 780 C GLU A 97 -7.993 -6.569 -2.353 1.00 0.00 C +ATOM 781 CB GLU A 97 -6.691 -4.429 -2.415 1.00 0.00 C +ATOM 782 O GLU A 97 -8.292 -7.257 -3.332 1.00 0.00 O +ATOM 783 CG GLU A 97 -5.834 -4.846 -3.601 1.00 0.00 C +ATOM 784 CD GLU A 97 -4.409 -4.322 -3.524 1.00 0.00 C +ATOM 785 OE1 GLU A 97 -4.141 -3.407 -2.713 1.00 0.00 O +ATOM 786 OE2 GLU A 97 -3.553 -4.831 -4.282 1.00 0.00 O +ATOM 787 N THR A 98 -7.639 -7.124 -1.228 1.00 0.00 N +ATOM 788 CA THR A 98 -7.373 -8.546 -1.040 1.00 0.00 C +ATOM 789 C THR A 98 -8.649 -9.363 -1.214 1.00 0.00 C +ATOM 790 CB THR A 98 -6.768 -8.823 0.348 1.00 0.00 C +ATOM 791 O THR A 98 -8.660 -10.362 -1.937 1.00 0.00 O +ATOM 792 CG2 THR A 98 -6.561 -10.317 0.571 1.00 0.00 C +ATOM 793 OG1 THR A 98 -5.504 -8.156 0.455 1.00 0.00 O +ATOM 794 N ILE A 99 -9.739 -8.999 -0.590 1.00 0.01 N +ATOM 795 CA ILE A 99 -10.990 -9.746 -0.661 1.00 0.01 C +ATOM 796 C ILE A 99 -11.533 -9.710 -2.088 1.00 0.01 C +ATOM 797 CB ILE A 99 -12.039 -9.185 0.326 1.00 0.01 C +ATOM 798 O ILE A 99 -11.810 -10.756 -2.680 1.00 0.01 O +ATOM 799 CG1 ILE A 99 -11.650 -9.525 1.769 1.00 0.01 C +ATOM 800 CG2 ILE A 99 -13.434 -9.723 -0.006 1.00 0.01 C +ATOM 801 CD1 ILE A 99 -12.557 -8.898 2.819 1.00 0.01 C +ATOM 802 N LEU A 100 -11.648 -8.538 -2.641 1.00 0.16 N +ATOM 803 CA LEU A 100 -12.322 -8.411 -3.929 1.00 0.16 C +ATOM 804 C LEU A 100 -11.469 -8.999 -5.048 1.00 0.16 C +ATOM 805 CB LEU A 100 -12.635 -6.943 -4.227 1.00 0.16 C +ATOM 806 O LEU A 100 -11.936 -9.851 -5.808 1.00 0.16 O +ATOM 807 CG LEU A 100 -13.729 -6.296 -3.376 1.00 0.16 C +ATOM 808 CD1 LEU A 100 -13.757 -4.789 -3.605 1.00 0.16 C +ATOM 809 CD2 LEU A 100 -15.087 -6.915 -3.689 1.00 0.16 C +ATOM 810 N ALA A 101 -10.150 -8.663 -5.106 1.00 0.00 N +ATOM 811 CA ALA A 101 -9.240 -9.182 -6.124 1.00 0.00 C +ATOM 812 C ALA A 101 -9.118 -10.700 -6.026 1.00 0.00 C +ATOM 813 CB ALA A 101 -7.866 -8.531 -5.991 1.00 0.00 C +ATOM 814 O ALA A 101 -9.197 -11.402 -7.037 1.00 0.00 O +ATOM 815 N SER A 102 -8.963 -11.217 -4.810 1.00 0.00 N +ATOM 816 CA SER A 102 -8.699 -12.642 -4.647 1.00 0.00 C +ATOM 817 C SER A 102 -9.977 -13.461 -4.791 1.00 0.00 C +ATOM 818 CB SER A 102 -8.059 -12.917 -3.285 1.00 0.00 C +ATOM 819 O SER A 102 -9.964 -14.545 -5.379 1.00 0.00 O +ATOM 820 OG SER A 102 -6.871 -12.160 -3.126 1.00 0.00 O +ATOM 821 N THR A 103 -11.127 -12.981 -4.277 1.00 0.00 N +ATOM 822 CA THR A 103 -12.401 -13.677 -4.423 1.00 0.00 C +ATOM 823 C THR A 103 -12.778 -13.811 -5.895 1.00 0.00 C +ATOM 824 CB THR A 103 -13.526 -12.947 -3.666 1.00 0.00 C +ATOM 825 O THR A 103 -13.071 -14.911 -6.369 1.00 0.00 O +ATOM 826 CG2 THR A 103 -14.852 -13.688 -3.803 1.00 0.00 C +ATOM 827 OG1 THR A 103 -13.181 -12.858 -2.278 1.00 0.00 O +ATOM 828 N ILE A 104 -12.635 -12.781 -6.645 1.00 0.00 N +ATOM 829 CA ILE A 104 -12.992 -12.796 -8.059 1.00 0.00 C +ATOM 830 C ILE A 104 -11.975 -13.625 -8.840 1.00 0.00 C +ATOM 831 CB ILE A 104 -13.073 -11.365 -8.636 1.00 0.00 C +ATOM 832 O ILE A 104 -12.349 -14.481 -9.645 1.00 0.00 O +ATOM 833 CG1 ILE A 104 -14.261 -10.611 -8.028 1.00 0.00 C +ATOM 834 CG2 ILE A 104 -13.174 -11.404 -10.164 1.00 0.00 C +ATOM 835 CD1 ILE A 104 -14.256 -9.115 -8.313 1.00 0.00 C +ATOM 836 N SER A 105 -10.695 -13.507 -8.523 1.00 0.00 N +ATOM 837 CA SER A 105 -9.643 -14.310 -9.138 1.00 0.00 C +ATOM 838 C SER A 105 -9.847 -15.796 -8.860 1.00 0.00 C +ATOM 839 CB SER A 105 -8.268 -13.872 -8.631 1.00 0.00 C +ATOM 840 O SER A 105 -9.766 -16.620 -9.773 1.00 0.00 O +ATOM 841 OG SER A 105 -7.979 -12.547 -9.043 1.00 0.00 O +ATOM 842 N ILE A 106 -10.180 -16.197 -7.653 1.00 7.33 N +ATOM 843 CA ILE A 106 -10.448 -17.575 -7.256 1.00 7.33 C +ATOM 844 C ILE A 106 -11.711 -18.077 -7.953 1.00 7.33 C +ATOM 845 CB ILE A 106 -10.594 -17.704 -5.724 1.00 7.33 C +ATOM 846 O ILE A 106 -11.721 -19.172 -8.519 1.00 7.33 O +ATOM 847 CG1 ILE A 106 -9.235 -17.513 -5.040 1.00 7.33 C +ATOM 848 CG2 ILE A 106 -11.209 -19.056 -5.351 1.00 7.33 C +ATOM 849 CD1 ILE A 106 -9.329 -17.211 -3.550 1.00 7.33 C +ATOM 850 N ILE A 107 -12.790 -17.281 -8.026 1.00 6.40 N +ATOM 851 CA ILE A 107 -14.030 -17.622 -8.715 1.00 6.40 C +ATOM 852 C ILE A 107 -13.754 -17.832 -10.202 1.00 6.40 C +ATOM 853 CB ILE A 107 -15.104 -16.528 -8.519 1.00 6.40 C +ATOM 854 O ILE A 107 -14.130 -18.860 -10.770 1.00 6.40 O +ATOM 855 CG1 ILE A 107 -15.656 -16.572 -7.089 1.00 6.40 C +ATOM 856 CG2 ILE A 107 -16.230 -16.686 -9.545 1.00 6.40 C +ATOM 857 CD1 ILE A 107 -16.498 -15.361 -6.713 1.00 6.40 C +ATOM 858 N ASN A 108 -12.991 -16.943 -10.846 1.00 0.00 N +ATOM 859 CA ASN A 108 -12.628 -17.030 -12.256 1.00 0.00 C +ATOM 860 C ASN A 108 -11.760 -18.254 -12.537 1.00 0.00 C +ATOM 861 CB ASN A 108 -11.909 -15.756 -12.705 1.00 0.00 C +ATOM 862 O ASN A 108 -11.919 -18.909 -13.568 1.00 0.00 O +ATOM 863 CG ASN A 108 -12.862 -14.599 -12.936 1.00 0.00 C +ATOM 864 ND2 ASN A 108 -12.335 -13.381 -12.899 1.00 0.00 N +ATOM 865 OD1 ASN A 108 -14.061 -14.799 -13.146 1.00 0.00 O +ATOM 866 N GLN A 109 -10.867 -18.667 -11.583 1.00 0.00 N +ATOM 867 CA GLN A 109 -10.021 -19.849 -11.711 1.00 0.00 C +ATOM 868 C GLN A 109 -10.835 -21.129 -11.548 1.00 0.00 C +ATOM 869 CB GLN A 109 -8.888 -19.813 -10.684 1.00 0.00 C +ATOM 870 O GLN A 109 -10.599 -22.115 -12.249 1.00 0.00 O +ATOM 871 CG GLN A 109 -7.753 -18.867 -11.053 1.00 0.00 C +ATOM 872 CD GLN A 109 -6.681 -18.791 -9.983 1.00 0.00 C +ATOM 873 NE2 GLN A 109 -6.059 -17.625 -9.847 1.00 0.00 N +ATOM 874 OE1 GLN A 109 -6.413 -19.773 -9.282 1.00 0.00 O +ATOM 875 N ILE A 110 -11.895 -21.161 -10.630 1.00 0.00 N +ATOM 876 CA ILE A 110 -12.692 -22.341 -10.312 1.00 0.00 C +ATOM 877 C ILE A 110 -13.756 -22.550 -11.387 1.00 0.00 C +ATOM 878 CB ILE A 110 -13.353 -22.218 -8.921 1.00 0.00 C +ATOM 879 O ILE A 110 -13.932 -23.663 -11.887 1.00 0.00 O +ATOM 880 CG1 ILE A 110 -12.294 -22.315 -7.816 1.00 0.00 C +ATOM 881 CG2 ILE A 110 -14.434 -23.287 -8.740 1.00 0.00 C +ATOM 882 CD1 ILE A 110 -12.807 -21.940 -6.432 1.00 0.00 C +ATOM 883 N PHE A 111 -14.421 -21.498 -11.781 1.00 0.03 N +ATOM 884 CA PHE A 111 -15.629 -21.618 -12.590 1.00 0.03 C +ATOM 885 C PHE A 111 -15.339 -21.284 -14.048 1.00 0.03 C +ATOM 886 CB PHE A 111 -16.731 -20.701 -12.051 1.00 0.03 C +ATOM 887 O PHE A 111 -16.196 -21.468 -14.915 1.00 0.03 O +ATOM 888 CG PHE A 111 -17.258 -21.112 -10.702 1.00 0.03 C +ATOM 889 CD1 PHE A 111 -18.021 -22.265 -10.561 1.00 0.03 C +ATOM 890 CD2 PHE A 111 -16.990 -20.346 -9.576 1.00 0.03 C +ATOM 891 CE1 PHE A 111 -18.510 -22.648 -9.314 1.00 0.03 C +ATOM 892 CE2 PHE A 111 -17.475 -20.722 -8.327 1.00 0.03 C +ATOM 893 CZ PHE A 111 -18.235 -21.873 -8.198 1.00 0.03 C +ATOM 894 N GLY A 112 -14.059 -20.983 -14.301 1.00 0.00 N +ATOM 895 CA GLY A 112 -13.737 -20.409 -15.597 1.00 0.00 C +ATOM 896 C GLY A 112 -14.343 -19.034 -15.808 1.00 0.00 C +ATOM 897 O GLY A 112 -15.345 -18.688 -15.179 1.00 0.00 O +ATOM 898 N TYR A 113 -13.764 -18.080 -16.577 1.00 0.00 N +ATOM 899 CA TYR A 113 -14.047 -16.667 -16.801 1.00 0.00 C +ATOM 900 C TYR A 113 -15.507 -16.457 -17.185 1.00 0.00 C +ATOM 901 CB TYR A 113 -13.134 -16.102 -17.894 1.00 0.00 C +ATOM 902 O TYR A 113 -16.062 -15.376 -16.974 1.00 0.00 O +ATOM 903 CG TYR A 113 -11.892 -15.430 -17.360 1.00 0.00 C +ATOM 904 CD1 TYR A 113 -11.918 -14.098 -16.953 1.00 0.00 C +ATOM 905 CD2 TYR A 113 -10.691 -16.125 -17.263 1.00 0.00 C +ATOM 906 CE1 TYR A 113 -10.776 -13.474 -16.462 1.00 0.00 C +ATOM 907 CE2 TYR A 113 -9.543 -15.511 -16.774 1.00 0.00 C +ATOM 908 OH TYR A 113 -8.462 -13.575 -15.891 1.00 0.00 O +ATOM 909 CZ TYR A 113 -9.595 -14.187 -16.376 1.00 0.00 C +ATOM 910 N PHE A 114 -16.082 -17.366 -17.700 1.00 0.00 N +ATOM 911 CA PHE A 114 -17.358 -17.245 -18.395 1.00 0.00 C +ATOM 912 C PHE A 114 -18.466 -16.848 -17.427 1.00 0.00 C +ATOM 913 CB PHE A 114 -17.718 -18.561 -19.093 1.00 0.00 C +ATOM 914 O PHE A 114 -19.468 -16.255 -17.832 1.00 0.00 O +ATOM 915 CG PHE A 114 -17.054 -18.739 -20.431 1.00 0.00 C +ATOM 916 CD1 PHE A 114 -17.579 -18.139 -21.569 1.00 0.00 C +ATOM 917 CD2 PHE A 114 -15.903 -19.507 -20.552 1.00 0.00 C +ATOM 918 CE1 PHE A 114 -16.967 -18.302 -22.810 1.00 0.00 C +ATOM 919 CE2 PHE A 114 -15.285 -19.674 -21.788 1.00 0.00 C +ATOM 920 CZ PHE A 114 -15.819 -19.072 -22.916 1.00 0.00 C +ATOM 921 N ILE A 115 -18.312 -17.065 -16.134 1.00 0.00 N +ATOM 922 CA ILE A 115 -19.492 -16.934 -15.286 1.00 0.00 C +ATOM 923 C ILE A 115 -19.711 -15.465 -14.931 1.00 0.00 C +ATOM 924 CB ILE A 115 -19.362 -17.783 -14.001 1.00 0.00 C +ATOM 925 O ILE A 115 -20.840 -14.970 -14.977 1.00 0.00 O +ATOM 926 CG1 ILE A 115 -19.315 -19.275 -14.350 1.00 0.00 C +ATOM 927 CG2 ILE A 115 -20.513 -17.482 -13.037 1.00 0.00 C +ATOM 928 CD1 ILE A 115 -19.089 -20.184 -13.150 1.00 0.00 C +ATOM 929 N LEU A 116 -18.668 -14.681 -14.693 1.00 0.00 N +ATOM 930 CA LEU A 116 -18.956 -13.344 -14.187 1.00 0.00 C +ATOM 931 C LEU A 116 -18.906 -12.315 -15.312 1.00 0.00 C +ATOM 932 CB LEU A 116 -17.962 -12.962 -13.086 1.00 0.00 C +ATOM 933 O LEU A 116 -19.430 -11.208 -15.169 1.00 0.00 O +ATOM 934 CG LEU A 116 -18.067 -13.746 -11.777 1.00 0.00 C +ATOM 935 CD1 LEU A 116 -16.932 -13.357 -10.835 1.00 0.00 C +ATOM 936 CD2 LEU A 116 -19.421 -13.510 -11.118 1.00 0.00 C +ATOM 937 N GLY A 117 -18.356 -12.679 -16.475 1.00 0.00 N +ATOM 938 CA GLY A 117 -18.315 -11.891 -17.697 1.00 0.00 C +ATOM 939 C GLY A 117 -17.479 -10.632 -17.566 1.00 0.00 C +ATOM 940 O GLY A 117 -16.908 -10.367 -16.507 1.00 0.00 O +ATOM 941 N HIS A 118 -17.406 -9.781 -18.594 1.00 0.00 N +ATOM 942 CA HIS A 118 -16.591 -8.589 -18.797 1.00 0.00 C +ATOM 943 C HIS A 118 -16.924 -7.512 -17.770 1.00 0.00 C +ATOM 944 CB HIS A 118 -16.785 -8.043 -20.213 1.00 0.00 C +ATOM 945 O HIS A 118 -16.024 -6.894 -17.198 1.00 0.00 O +ATOM 946 CG HIS A 118 -15.952 -6.836 -20.509 1.00 0.00 C +ATOM 947 CD2 HIS A 118 -14.702 -6.722 -21.016 1.00 0.00 C +ATOM 948 ND1 HIS A 118 -16.394 -5.552 -20.278 1.00 0.00 N +ATOM 949 CE1 HIS A 118 -15.450 -4.697 -20.632 1.00 0.00 C +ATOM 950 NE2 HIS A 118 -14.412 -5.381 -21.083 1.00 0.00 N +ATOM 951 N PRO A 119 -18.192 -7.291 -17.295 1.00 0.00 N +ATOM 952 CA PRO A 119 -18.516 -6.255 -16.312 1.00 0.00 C +ATOM 953 C PRO A 119 -17.898 -6.525 -14.943 1.00 0.00 C +ATOM 954 CB PRO A 119 -20.045 -6.303 -16.240 1.00 0.00 C +ATOM 955 O PRO A 119 -17.437 -5.596 -14.275 1.00 0.00 O +ATOM 956 CG PRO A 119 -20.476 -6.788 -17.587 1.00 0.00 C +ATOM 957 CD PRO A 119 -19.493 -7.821 -18.059 1.00 0.00 C +ATOM 958 N MET A 120 -17.791 -7.736 -14.483 1.00 3.87 N +ATOM 959 CA MET A 120 -17.204 -8.087 -13.193 1.00 3.87 C +ATOM 960 C MET A 120 -15.687 -7.931 -13.224 1.00 3.87 C +ATOM 961 CB MET A 120 -17.574 -9.520 -12.805 1.00 3.87 C +ATOM 962 O MET A 120 -15.078 -7.542 -12.226 1.00 3.87 O +ATOM 963 CG MET A 120 -19.004 -9.672 -12.311 1.00 3.87 C +ATOM 964 SD MET A 120 -19.305 -8.767 -10.743 1.00 3.87 S +ATOM 965 CE MET A 120 -21.088 -9.041 -10.553 1.00 3.87 C +ATOM 966 N CYS A 121 -15.165 -8.152 -14.411 1.00 0.00 N +ATOM 967 CA CYS A 121 -13.741 -7.916 -14.617 1.00 0.00 C +ATOM 968 C CYS A 121 -13.415 -6.430 -14.526 1.00 0.00 C +ATOM 969 CB CYS A 121 -13.298 -8.462 -15.974 1.00 0.00 C +ATOM 970 O CYS A 121 -12.451 -6.041 -13.865 1.00 0.00 O +ATOM 971 SG CYS A 121 -11.523 -8.316 -16.274 1.00 0.00 S +ATOM 972 N ILE A 122 -14.196 -5.633 -15.082 1.00 0.00 N +ATOM 973 CA ILE A 122 -14.075 -4.181 -14.999 1.00 0.00 C +ATOM 974 C ILE A 122 -14.255 -3.730 -13.551 1.00 0.00 C +ATOM 975 CB ILE A 122 -15.103 -3.475 -15.912 1.00 0.00 C +ATOM 976 O ILE A 122 -13.460 -2.941 -13.037 1.00 0.00 O +ATOM 977 CG1 ILE A 122 -14.776 -3.737 -17.386 1.00 0.00 C +ATOM 978 CG2 ILE A 122 -15.143 -1.972 -15.618 1.00 0.00 C +ATOM 979 CD1 ILE A 122 -15.845 -3.247 -18.354 1.00 0.00 C +ATOM 980 N PHE A 123 -15.233 -4.284 -12.943 1.00 0.89 N +ATOM 981 CA PHE A 123 -15.541 -3.944 -11.559 1.00 0.89 C +ATOM 982 C PHE A 123 -14.406 -4.365 -10.633 1.00 0.89 C +ATOM 983 CB PHE A 123 -16.851 -4.607 -11.120 1.00 0.89 C +ATOM 984 O PHE A 123 -13.949 -3.575 -9.805 1.00 0.89 O +ATOM 985 CG PHE A 123 -17.191 -4.377 -9.672 1.00 0.89 C +ATOM 986 CD1 PHE A 123 -17.671 -3.146 -9.243 1.00 0.89 C +ATOM 987 CD2 PHE A 123 -17.032 -5.394 -8.739 1.00 0.89 C +ATOM 988 CE1 PHE A 123 -17.987 -2.930 -7.904 1.00 0.89 C +ATOM 989 CE2 PHE A 123 -17.345 -5.186 -7.399 1.00 0.89 C +ATOM 990 CZ PHE A 123 -17.822 -3.954 -6.983 1.00 0.89 C +ATOM 991 N GLU A 124 -13.845 -5.571 -10.770 1.00 0.00 N +ATOM 992 CA GLU A 124 -12.673 -6.046 -10.040 1.00 0.00 C +ATOM 993 C GLU A 124 -11.482 -5.114 -10.242 1.00 0.00 C +ATOM 994 CB GLU A 124 -12.309 -7.468 -10.474 1.00 0.00 C +ATOM 995 O GLU A 124 -10.948 -4.562 -9.278 1.00 0.00 O +ATOM 996 CG GLU A 124 -11.105 -8.045 -9.742 1.00 0.00 C +ATOM 997 CD GLU A 124 -10.587 -9.332 -10.362 1.00 0.00 C +ATOM 998 OE1 GLU A 124 -11.178 -9.808 -11.358 1.00 0.00 O +ATOM 999 OE2 GLU A 124 -9.581 -9.871 -9.847 1.00 0.00 O +ATOM 1000 N GLY A 125 -11.130 -4.885 -11.486 1.00 0.00 N +ATOM 1001 CA GLY A 125 -10.002 -4.028 -11.815 1.00 0.00 C +ATOM 1002 C GLY A 125 -10.140 -2.622 -11.264 1.00 0.00 C +ATOM 1003 O GLY A 125 -9.177 -2.057 -10.741 1.00 0.00 O +ATOM 1004 N TYR A 126 -11.306 -2.113 -11.299 1.00 0.00 N +ATOM 1005 CA TYR A 126 -11.599 -0.798 -10.740 1.00 0.00 C +ATOM 1006 C TYR A 126 -11.408 -0.793 -9.228 1.00 0.00 C +ATOM 1007 CB TYR A 126 -13.030 -0.374 -11.086 1.00 0.00 C +ATOM 1008 O TYR A 126 -10.665 0.033 -8.693 1.00 0.00 O +ATOM 1009 CG TYR A 126 -13.435 0.948 -10.480 1.00 0.00 C +ATOM 1010 CD1 TYR A 126 -13.071 2.152 -11.079 1.00 0.00 C +ATOM 1011 CD2 TYR A 126 -14.180 0.996 -9.307 1.00 0.00 C +ATOM 1012 CE1 TYR A 126 -13.440 3.372 -10.523 1.00 0.00 C +ATOM 1013 CE2 TYR A 126 -14.555 2.211 -8.742 1.00 0.00 C +ATOM 1014 OH TYR A 126 -14.549 4.597 -8.802 1.00 0.00 O +ATOM 1015 CZ TYR A 126 -14.181 3.391 -9.357 1.00 0.00 C +ATOM 1016 N VAL A 127 -11.975 -1.706 -8.537 1.00 5.84 N +ATOM 1017 CA VAL A 127 -11.931 -1.716 -7.078 1.00 5.84 C +ATOM 1018 C VAL A 127 -10.508 -2.007 -6.606 1.00 5.84 C +ATOM 1019 CB VAL A 127 -12.912 -2.755 -6.488 1.00 5.84 C +ATOM 1020 O VAL A 127 -9.996 -1.334 -5.708 1.00 5.84 O +ATOM 1021 CG1 VAL A 127 -12.776 -2.823 -4.968 1.00 5.84 C +ATOM 1022 CG2 VAL A 127 -14.348 -2.417 -6.886 1.00 5.84 C +ATOM 1023 N VAL A 128 -9.762 -2.908 -7.237 1.00 0.00 N +ATOM 1024 CA VAL A 128 -8.369 -3.228 -6.943 1.00 0.00 C +ATOM 1025 C VAL A 128 -7.498 -1.993 -7.162 1.00 0.00 C +ATOM 1026 CB VAL A 128 -7.860 -4.400 -7.812 1.00 0.00 C +ATOM 1027 O VAL A 128 -6.680 -1.643 -6.308 1.00 0.00 O +ATOM 1028 CG1 VAL A 128 -6.347 -4.556 -7.674 1.00 0.00 C +ATOM 1029 CG2 VAL A 128 -8.571 -5.696 -7.428 1.00 0.00 C +ATOM 1030 N SER A 129 -7.732 -1.265 -8.225 1.00 4.66 N +ATOM 1031 CA SER A 129 -6.967 -0.062 -8.534 1.00 4.66 C +ATOM 1032 C SER A 129 -7.274 1.058 -7.546 1.00 4.66 C +ATOM 1033 CB SER A 129 -7.263 0.410 -9.959 1.00 4.66 C +ATOM 1034 O SER A 129 -6.360 1.697 -7.020 1.00 4.66 O +ATOM 1035 OG SER A 129 -6.913 -0.589 -10.902 1.00 4.66 O +ATOM 1036 N VAL A 130 -8.546 1.256 -7.206 1.00 0.00 N +ATOM 1037 CA VAL A 130 -8.954 2.279 -6.249 1.00 0.00 C +ATOM 1038 C VAL A 130 -8.357 1.972 -4.878 1.00 0.00 C +ATOM 1039 CB VAL A 130 -10.492 2.382 -6.150 1.00 0.00 C +ATOM 1040 O VAL A 130 -7.738 2.838 -4.255 1.00 0.00 O +ATOM 1041 CG1 VAL A 130 -10.900 3.222 -4.941 1.00 0.00 C +ATOM 1042 CG2 VAL A 130 -11.071 2.973 -7.434 1.00 0.00 C +ATOM 1043 N CYS A 131 -8.444 0.743 -4.413 1.00 0.00 N +ATOM 1044 CA CYS A 131 -7.914 0.323 -3.121 1.00 0.00 C +ATOM 1045 C CYS A 131 -6.392 0.393 -3.107 1.00 0.00 C +ATOM 1046 CB CYS A 131 -8.371 -1.098 -2.790 1.00 0.00 C +ATOM 1047 O CYS A 131 -5.800 0.959 -2.186 1.00 0.00 O +ATOM 1048 SG CYS A 131 -10.132 -1.226 -2.410 1.00 0.00 S +ATOM 1049 N GLY A 132 -5.704 -0.095 -4.170 1.00 0.00 N +ATOM 1050 CA GLY A 132 -4.256 -0.037 -4.294 1.00 0.00 C +ATOM 1051 C GLY A 132 -3.715 1.380 -4.323 1.00 0.00 C +ATOM 1052 O GLY A 132 -2.781 1.708 -3.590 1.00 0.00 O +ATOM 1053 N ILE A 133 -4.340 2.288 -5.040 1.00 0.00 N +ATOM 1054 CA ILE A 133 -3.951 3.691 -5.128 1.00 0.00 C +ATOM 1055 C ILE A 133 -4.227 4.387 -3.797 1.00 0.00 C +ATOM 1056 CB ILE A 133 -4.695 4.413 -6.274 1.00 0.00 C +ATOM 1057 O ILE A 133 -3.384 5.134 -3.293 1.00 0.00 O +ATOM 1058 CG1 ILE A 133 -4.192 3.916 -7.634 1.00 0.00 C +ATOM 1059 CG2 ILE A 133 -4.531 5.931 -6.152 1.00 0.00 C +ATOM 1060 CD1 ILE A 133 -5.042 4.369 -8.812 1.00 0.00 C +ATOM 1061 N ALA A 134 -5.356 4.104 -3.165 1.00 0.00 N +ATOM 1062 CA ALA A 134 -5.680 4.664 -1.856 1.00 0.00 C +ATOM 1063 C ALA A 134 -4.686 4.195 -0.797 1.00 0.00 C +ATOM 1064 CB ALA A 134 -7.102 4.282 -1.451 1.00 0.00 C +ATOM 1065 O ALA A 134 -4.222 4.990 0.024 1.00 0.00 O +ATOM 1066 N GLY A 135 -4.271 2.931 -0.805 1.00 0.00 N +ATOM 1067 CA GLY A 135 -3.220 2.394 0.044 1.00 0.00 C +ATOM 1068 C GLY A 135 -1.880 3.073 -0.164 1.00 0.00 C +ATOM 1069 O GLY A 135 -1.247 3.518 0.796 1.00 0.00 O +ATOM 1070 N LEU A 136 -1.510 3.314 -1.383 1.00 0.00 N +ATOM 1071 CA LEU A 136 -0.238 3.941 -1.724 1.00 0.00 C +ATOM 1072 C LEU A 136 -0.212 5.398 -1.273 1.00 0.00 C +ATOM 1073 CB LEU A 136 0.014 3.857 -3.232 1.00 0.00 C +ATOM 1074 O LEU A 136 0.769 5.851 -0.679 1.00 0.00 O +ATOM 1075 CG LEU A 136 1.342 4.431 -3.730 1.00 0.00 C +ATOM 1076 CD1 LEU A 136 2.512 3.709 -3.070 1.00 0.00 C +ATOM 1077 CD2 LEU A 136 1.432 4.329 -5.249 1.00 0.00 C +ATOM 1078 N TRP A 137 -1.249 6.101 -1.470 1.00 0.00 N +ATOM 1079 CA TRP A 137 -1.353 7.486 -1.023 1.00 0.00 C +ATOM 1080 C TRP A 137 -1.450 7.562 0.497 1.00 0.00 C +ATOM 1081 CB TRP A 137 -2.567 8.168 -1.660 1.00 0.00 C +ATOM 1082 O TRP A 137 -0.948 8.506 1.111 1.00 0.00 O +ATOM 1083 CG TRP A 137 -2.304 8.730 -3.025 1.00 0.00 C +ATOM 1084 CD1 TRP A 137 -2.666 8.184 -4.225 1.00 0.00 C +ATOM 1085 CD2 TRP A 137 -1.615 9.947 -3.329 1.00 0.00 C +ATOM 1086 CE2 TRP A 137 -1.598 10.077 -4.735 1.00 0.00 C +ATOM 1087 CE3 TRP A 137 -1.012 10.941 -2.548 1.00 0.00 C +ATOM 1088 NE1 TRP A 137 -2.245 8.990 -5.257 1.00 0.00 N +ATOM 1089 CH2 TRP A 137 -0.416 12.123 -4.589 1.00 0.00 C +ATOM 1090 CZ2 TRP A 137 -1.000 11.164 -5.377 1.00 0.00 C +ATOM 1091 CZ3 TRP A 137 -0.417 12.022 -3.188 1.00 0.00 C +ATOM 1092 N SER A 138 -1.974 6.543 1.197 1.00 0.00 N +ATOM 1093 CA SER A 138 -1.923 6.435 2.652 1.00 0.00 C +ATOM 1094 C SER A 138 -0.484 6.341 3.149 1.00 0.00 C +ATOM 1095 CB SER A 138 -2.716 5.218 3.128 1.00 0.00 C +ATOM 1096 O SER A 138 -0.101 7.038 4.091 1.00 0.00 O +ATOM 1097 OG SER A 138 -4.085 5.345 2.787 1.00 0.00 O +ATOM 1098 N LEU A 139 0.359 5.603 2.478 1.00 0.00 N +ATOM 1099 CA LEU A 139 1.778 5.511 2.804 1.00 0.00 C +ATOM 1100 C LEU A 139 2.475 6.848 2.579 1.00 0.00 C +ATOM 1101 CB LEU A 139 2.451 4.422 1.964 1.00 0.00 C +ATOM 1102 O LEU A 139 3.336 7.245 3.368 1.00 0.00 O +ATOM 1103 CG LEU A 139 2.040 2.981 2.266 1.00 0.00 C +ATOM 1104 CD1 LEU A 139 2.653 2.029 1.244 1.00 0.00 C +ATOM 1105 CD2 LEU A 139 2.454 2.592 3.682 1.00 0.00 C +ATOM 1106 N THR A 140 2.087 7.624 1.555 1.00 0.00 N +ATOM 1107 CA THR A 140 2.588 8.966 1.282 1.00 0.00 C +ATOM 1108 C THR A 140 2.218 9.922 2.412 1.00 0.00 C +ATOM 1109 CB THR A 140 2.038 9.507 -0.051 1.00 0.00 C +ATOM 1110 O THR A 140 3.067 10.668 2.905 1.00 0.00 O +ATOM 1111 CG2 THR A 140 2.638 10.870 -0.381 1.00 0.00 C +ATOM 1112 OG1 THR A 140 2.362 8.588 -1.102 1.00 0.00 O +ATOM 1113 N VAL A 141 0.997 9.849 2.934 1.00 0.00 N +ATOM 1114 CA VAL A 141 0.511 10.687 4.025 1.00 0.00 C +ATOM 1115 C VAL A 141 1.232 10.320 5.320 1.00 0.00 C +ATOM 1116 CB VAL A 141 -1.017 10.551 4.209 1.00 0.00 C +ATOM 1117 O VAL A 141 1.607 11.198 6.100 1.00 0.00 O +ATOM 1118 CG1 VAL A 141 -1.492 11.372 5.405 1.00 0.00 C +ATOM 1119 CG2 VAL A 141 -1.747 10.980 2.938 1.00 0.00 C +ATOM 1120 N ILE A 142 1.533 9.015 5.569 1.00 0.00 N +ATOM 1121 CA ILE A 142 2.335 8.559 6.699 1.00 0.00 C +ATOM 1122 C ILE A 142 3.741 9.148 6.604 1.00 0.00 C +ATOM 1123 CB ILE A 142 2.402 7.017 6.759 1.00 0.00 C +ATOM 1124 O ILE A 142 4.264 9.683 7.584 1.00 0.00 O +ATOM 1125 CG1 ILE A 142 1.045 6.439 7.175 1.00 0.00 C +ATOM 1126 CG2 ILE A 142 3.508 6.561 7.715 1.00 0.00 C +ATOM 1127 CD1 ILE A 142 0.907 4.943 6.927 1.00 0.00 C +ATOM 1128 N SER A 143 4.356 9.125 5.438 1.00 0.00 N +ATOM 1129 CA SER A 143 5.700 9.644 5.208 1.00 0.00 C +ATOM 1130 C SER A 143 5.750 11.156 5.403 1.00 0.00 C +ATOM 1131 CB SER A 143 6.180 9.287 3.801 1.00 0.00 C +ATOM 1132 O SER A 143 6.666 11.674 6.045 1.00 0.00 O +ATOM 1133 OG SER A 143 6.162 7.884 3.604 1.00 0.00 O +ATOM 1134 N TRP A 144 4.734 11.862 4.932 1.00 0.00 N +ATOM 1135 CA TRP A 144 4.574 13.303 5.094 1.00 0.00 C +ATOM 1136 C TRP A 144 4.369 13.667 6.561 1.00 0.00 C +ATOM 1137 CB TRP A 144 3.394 13.811 4.260 1.00 0.00 C +ATOM 1138 O TRP A 144 5.013 14.585 7.075 1.00 0.00 O +ATOM 1139 CG TRP A 144 3.109 15.272 4.435 1.00 0.00 C +ATOM 1140 CD1 TRP A 144 2.135 15.834 5.212 1.00 0.00 C +ATOM 1141 CD2 TRP A 144 3.803 16.358 3.814 1.00 0.00 C +ATOM 1142 CE2 TRP A 144 3.196 17.553 4.261 1.00 0.00 C +ATOM 1143 CE3 TRP A 144 4.881 16.438 2.922 1.00 0.00 C +ATOM 1144 NE1 TRP A 144 2.182 17.206 5.112 1.00 0.00 N +ATOM 1145 CH2 TRP A 144 4.689 18.862 2.973 1.00 0.00 C +ATOM 1146 CZ2 TRP A 144 3.633 18.813 3.846 1.00 0.00 C +ATOM 1147 CZ3 TRP A 144 5.314 17.693 2.510 1.00 0.00 C +ATOM 1148 N GLU A 145 3.571 12.948 7.326 1.00 0.00 N +ATOM 1149 CA GLU A 145 3.406 13.102 8.769 1.00 0.00 C +ATOM 1150 C GLU A 145 4.740 12.959 9.495 1.00 0.00 C +ATOM 1151 CB GLU A 145 2.401 12.081 9.308 1.00 0.00 C +ATOM 1152 O GLU A 145 5.125 13.832 10.276 1.00 0.00 O +ATOM 1153 CG GLU A 145 2.124 12.218 10.798 1.00 0.00 C +ATOM 1154 CD GLU A 145 3.123 11.469 11.665 1.00 0.00 C +ATOM 1155 OE1 GLU A 145 3.784 10.533 11.160 1.00 0.00 O +ATOM 1156 OE2 GLU A 145 3.246 11.821 12.860 1.00 0.00 O +ATOM 1157 N ARG A 146 5.508 11.910 9.228 1.00 0.00 N +ATOM 1158 CA ARG A 146 6.815 11.677 9.835 1.00 0.00 C +ATOM 1159 C ARG A 146 7.769 12.830 9.540 1.00 0.00 C +ATOM 1160 CB ARG A 146 7.413 10.360 9.336 1.00 0.00 C +ATOM 1161 O ARG A 146 8.452 13.323 10.440 1.00 0.00 O +ATOM 1162 CG ARG A 146 6.693 9.123 9.848 1.00 0.00 C +ATOM 1163 CD ARG A 146 6.763 9.018 11.366 1.00 0.00 C +ATOM 1164 NE ARG A 146 5.987 7.886 11.864 1.00 0.00 N +ATOM 1165 NH1 ARG A 146 6.182 8.467 14.091 1.00 0.00 N +ATOM 1166 NH2 ARG A 146 5.012 6.590 13.490 1.00 0.00 N +ATOM 1167 CZ ARG A 146 5.729 7.650 13.147 1.00 0.00 C +ATOM 1168 N TRP A 147 7.776 13.302 8.304 1.00 0.00 N +ATOM 1169 CA TRP A 147 8.602 14.438 7.908 1.00 0.00 C +ATOM 1170 C TRP A 147 8.218 15.689 8.690 1.00 0.00 C +ATOM 1171 CB TRP A 147 8.471 14.700 6.405 1.00 0.00 C +ATOM 1172 O TRP A 147 9.079 16.357 9.266 1.00 0.00 O +ATOM 1173 CG TRP A 147 9.079 15.996 5.958 1.00 0.00 C +ATOM 1174 CD1 TRP A 147 10.395 16.359 6.037 1.00 0.00 C +ATOM 1175 CD2 TRP A 147 8.391 17.102 5.367 1.00 0.00 C +ATOM 1176 CE2 TRP A 147 9.354 18.104 5.111 1.00 0.00 C +ATOM 1177 CE3 TRP A 147 7.053 17.344 5.028 1.00 0.00 C +ATOM 1178 NE1 TRP A 147 10.567 17.626 5.529 1.00 0.00 N +ATOM 1179 CH2 TRP A 147 7.704 19.541 4.209 1.00 0.00 C +ATOM 1180 CZ2 TRP A 147 9.019 19.330 4.531 1.00 0.00 C +ATOM 1181 CZ3 TRP A 147 6.723 18.565 4.450 1.00 0.00 C +ATOM 1182 N VAL A 148 6.944 16.050 8.836 1.00 0.00 N +ATOM 1183 CA VAL A 148 6.450 17.216 9.562 1.00 0.00 C +ATOM 1184 C VAL A 148 6.815 17.098 11.040 1.00 0.00 C +ATOM 1185 CB VAL A 148 4.922 17.379 9.402 1.00 0.00 C +ATOM 1186 O VAL A 148 7.322 18.050 11.638 1.00 0.00 O +ATOM 1187 CG1 VAL A 148 4.393 18.460 10.343 1.00 0.00 C +ATOM 1188 CG2 VAL A 148 4.570 17.710 7.952 1.00 0.00 C +ATOM 1189 N VAL A 149 6.665 15.945 11.675 1.00 0.00 N +ATOM 1190 CA VAL A 149 6.877 15.709 13.099 1.00 0.00 C +ATOM 1191 C VAL A 149 8.370 15.761 13.416 1.00 0.00 C +ATOM 1192 CB VAL A 149 6.285 14.352 13.544 1.00 0.00 C +ATOM 1193 O VAL A 149 8.777 16.348 14.421 1.00 0.00 O +ATOM 1194 CG1 VAL A 149 6.747 13.998 14.956 1.00 0.00 C +ATOM 1195 CG2 VAL A 149 4.760 14.386 13.470 1.00 0.00 C +ATOM 1196 N VAL A 150 9.258 15.241 12.571 1.00 0.00 N +ATOM 1197 CA VAL A 150 10.685 15.102 12.839 1.00 0.00 C +ATOM 1198 C VAL A 150 11.419 16.368 12.402 1.00 0.00 C +ATOM 1199 CB VAL A 150 11.280 13.868 12.124 1.00 0.00 C +ATOM 1200 O VAL A 150 12.260 16.890 13.138 1.00 0.00 O +ATOM 1201 CG1 VAL A 150 12.800 13.837 12.274 1.00 0.00 C +ATOM 1202 CG2 VAL A 150 10.660 12.584 12.673 1.00 0.00 C +ATOM 1203 N CYS A 151 11.164 16.929 11.206 1.00 0.00 N +ATOM 1204 CA CYS A 151 11.942 18.007 10.606 1.00 0.00 C +ATOM 1205 C CYS A 151 11.473 19.365 11.113 1.00 0.00 C +ATOM 1206 CB CYS A 151 11.840 17.958 9.082 1.00 0.00 C +ATOM 1207 O CYS A 151 12.202 20.354 11.016 1.00 0.00 O +ATOM 1208 SG CYS A 151 12.587 16.486 8.349 1.00 0.00 S +ATOM 1209 N LYS A 152 10.331 19.499 11.501 1.00 0.00 N +ATOM 1210 CA LYS A 152 9.850 20.805 11.942 1.00 0.00 C +ATOM 1211 C LYS A 152 9.535 20.798 13.436 1.00 0.00 C +ATOM 1212 CB LYS A 152 8.611 21.218 11.147 1.00 0.00 C +ATOM 1213 O LYS A 152 8.467 21.253 13.852 1.00 0.00 O +ATOM 1214 CG LYS A 152 8.888 21.519 9.682 1.00 0.00 C +ATOM 1215 CD LYS A 152 7.702 22.209 9.019 1.00 0.00 C +ATOM 1216 CE LYS A 152 7.997 22.557 7.566 1.00 0.00 C +ATOM 1217 NZ LYS A 152 6.826 23.204 6.903 1.00 0.00 N +ATOM 1218 N PRO A 153 10.631 20.264 14.183 1.00 0.00 N +ATOM 1219 CA PRO A 153 10.362 20.198 15.622 1.00 0.00 C +ATOM 1220 C PRO A 153 10.122 21.574 16.240 1.00 0.00 C +ATOM 1221 CB PRO A 153 11.631 19.558 16.189 1.00 0.00 C +ATOM 1222 O PRO A 153 9.437 21.685 17.260 1.00 0.00 O +ATOM 1223 CG PRO A 153 12.690 19.846 15.175 1.00 0.00 C +ATOM 1224 CD PRO A 153 12.050 19.900 13.818 1.00 0.00 C +ATOM 1225 N PHE A 154 10.638 22.643 15.537 1.00 0.00 N +ATOM 1226 CA PHE A 154 10.577 23.985 16.105 1.00 0.00 C +ATOM 1227 C PHE A 154 9.371 24.746 15.567 1.00 0.00 C +ATOM 1228 CB PHE A 154 11.864 24.758 15.802 1.00 0.00 C +ATOM 1229 O PHE A 154 9.071 25.849 16.027 1.00 0.00 O +ATOM 1230 CG PHE A 154 13.098 24.141 16.404 1.00 0.00 C +ATOM 1231 CD1 PHE A 154 13.324 24.200 17.774 1.00 0.00 C +ATOM 1232 CD2 PHE A 154 14.033 23.503 15.599 1.00 0.00 C +ATOM 1233 CE1 PHE A 154 14.465 23.631 18.333 1.00 0.00 C +ATOM 1234 CE2 PHE A 154 15.176 22.932 16.151 1.00 0.00 C +ATOM 1235 CZ PHE A 154 15.391 22.998 17.518 1.00 0.00 C +ATOM 1236 N GLY A 155 8.625 24.099 14.779 1.00 0.00 N +ATOM 1237 CA GLY A 155 7.357 24.638 14.314 1.00 0.00 C +ATOM 1238 C GLY A 155 6.162 24.087 15.069 1.00 0.00 C +ATOM 1239 O GLY A 155 6.063 22.878 15.288 1.00 0.00 O +ATOM 1240 N ASN A 156 5.306 24.963 15.703 1.00 0.00 N +ATOM 1241 CA ASN A 156 4.024 24.628 16.315 1.00 0.00 C +ATOM 1242 C ASN A 156 3.151 23.805 15.372 1.00 0.00 C +ATOM 1243 CB ASN A 156 3.288 25.898 16.747 1.00 0.00 C +ATOM 1244 O ASN A 156 1.939 23.707 15.569 1.00 0.00 O +ATOM 1245 CG ASN A 156 3.905 26.541 17.974 1.00 0.00 C +ATOM 1246 ND2 ASN A 156 3.687 27.841 18.134 1.00 0.00 N +ATOM 1247 OD1 ASN A 156 4.573 25.876 18.770 1.00 0.00 O +ATOM 1248 N VAL A 157 3.688 23.282 14.269 1.00 0.00 N +ATOM 1249 CA VAL A 157 2.854 22.495 13.367 1.00 0.00 C +ATOM 1250 C VAL A 157 2.710 21.073 13.904 1.00 0.00 C +ATOM 1251 CB VAL A 157 3.434 22.468 11.935 1.00 0.00 C +ATOM 1252 O VAL A 157 3.560 20.217 13.648 1.00 0.00 O +ATOM 1253 CG1 VAL A 157 2.487 21.739 10.983 1.00 0.00 C +ATOM 1254 CG2 VAL A 157 3.703 23.889 11.443 1.00 0.00 C +ATOM 1255 N ARG A 158 1.647 20.876 14.615 1.00 0.00 N +ATOM 1256 CA ARG A 158 1.169 19.550 14.993 1.00 0.00 C +ATOM 1257 C ARG A 158 0.389 18.904 13.853 1.00 0.00 C +ATOM 1258 CB ARG A 158 0.296 19.630 16.246 1.00 0.00 C +ATOM 1259 O ARG A 158 -0.547 19.501 13.318 1.00 0.00 O +ATOM 1260 CG ARG A 158 1.046 20.073 17.493 1.00 0.00 C +ATOM 1261 CD ARG A 158 0.157 20.036 18.728 1.00 0.00 C +ATOM 1262 NE ARG A 158 0.896 20.400 19.934 1.00 0.00 N +ATOM 1263 NH1 ARG A 158 -0.895 20.119 21.366 1.00 0.00 N +ATOM 1264 NH2 ARG A 158 1.142 20.776 22.187 1.00 0.00 N +ATOM 1265 CZ ARG A 158 0.379 20.431 21.159 1.00 0.00 C +ATOM 1266 N PHE A 159 0.868 17.784 13.411 1.00 0.00 N +ATOM 1267 CA PHE A 159 0.013 16.958 12.566 1.00 0.00 C +ATOM 1268 C PHE A 159 -1.238 16.525 13.321 1.00 0.00 C +ATOM 1269 CB PHE A 159 0.777 15.728 12.066 1.00 0.00 C +ATOM 1270 O PHE A 159 -1.196 15.582 14.114 1.00 0.00 O +ATOM 1271 CG PHE A 159 0.145 15.066 10.871 1.00 0.00 C +ATOM 1272 CD1 PHE A 159 -0.823 14.082 11.035 1.00 0.00 C +ATOM 1273 CD2 PHE A 159 0.519 15.427 9.583 1.00 0.00 C +ATOM 1274 CE1 PHE A 159 -1.410 13.468 9.931 1.00 0.00 C +ATOM 1275 CE2 PHE A 159 -0.063 14.818 8.475 1.00 0.00 C +ATOM 1276 CZ PHE A 159 -1.026 13.837 8.652 1.00 0.00 C +ATOM 1277 N ASP A 160 -2.309 17.272 13.171 1.00 0.00 N +ATOM 1278 CA ASP A 160 -3.560 17.049 13.889 1.00 0.00 C +ATOM 1279 C ASP A 160 -4.463 16.079 13.130 1.00 0.00 C +ATOM 1280 CB ASP A 160 -4.289 18.375 14.121 1.00 0.00 C +ATOM 1281 O ASP A 160 -4.167 15.708 11.993 1.00 0.00 O +ATOM 1282 CG ASP A 160 -4.848 18.976 12.843 1.00 0.00 C +ATOM 1283 OD1 ASP A 160 -4.815 18.305 11.788 1.00 0.00 O +ATOM 1284 OD2 ASP A 160 -5.323 20.131 12.890 1.00 0.00 O +ATOM 1285 N GLY A 161 -5.570 15.630 13.744 1.00 6.82 N +ATOM 1286 CA GLY A 161 -6.505 14.678 13.168 1.00 6.82 C +ATOM 1287 C GLY A 161 -7.205 15.203 11.929 1.00 6.82 C +ATOM 1288 O GLY A 161 -7.620 14.426 11.067 1.00 6.82 O +ATOM 1289 N LYS A 162 -7.296 16.538 11.727 1.00 0.00 N +ATOM 1290 CA LYS A 162 -7.869 17.154 10.534 1.00 0.00 C +ATOM 1291 C LYS A 162 -6.994 16.899 9.310 1.00 0.00 C +ATOM 1292 CB LYS A 162 -8.054 18.658 10.742 1.00 0.00 C +ATOM 1293 O LYS A 162 -7.496 16.518 8.250 1.00 0.00 O +ATOM 1294 CG LYS A 162 -9.034 19.014 11.850 1.00 0.00 C +ATOM 1295 CD LYS A 162 -9.166 20.523 12.017 1.00 0.00 C +ATOM 1296 CE LYS A 162 -10.135 20.880 13.136 1.00 0.00 C +ATOM 1297 NZ LYS A 162 -10.179 22.352 13.381 1.00 0.00 N +ATOM 1298 N TRP A 163 -5.682 16.955 9.474 1.00 0.00 N +ATOM 1299 CA TRP A 163 -4.739 16.713 8.387 1.00 0.00 C +ATOM 1300 C TRP A 163 -4.722 15.239 7.998 1.00 0.00 C +ATOM 1301 CB TRP A 163 -3.332 17.165 8.786 1.00 0.00 C +ATOM 1302 O TRP A 163 -4.764 14.903 6.812 1.00 0.00 O +ATOM 1303 CG TRP A 163 -3.152 18.654 8.805 1.00 0.00 C +ATOM 1304 CD1 TRP A 163 -2.982 19.449 9.904 1.00 0.00 C +ATOM 1305 CD2 TRP A 163 -3.130 19.525 7.671 1.00 0.00 C +ATOM 1306 CE2 TRP A 163 -2.942 20.838 8.156 1.00 0.00 C +ATOM 1307 CE3 TRP A 163 -3.250 19.324 6.289 1.00 0.00 C +ATOM 1308 NE1 TRP A 163 -2.855 20.764 9.520 1.00 0.00 N +ATOM 1309 CH2 TRP A 163 -2.991 21.720 5.961 1.00 0.00 C +ATOM 1310 CZ2 TRP A 163 -2.871 21.946 7.307 1.00 0.00 C +ATOM 1311 CZ3 TRP A 163 -3.179 20.427 5.446 1.00 0.00 C +ATOM 1312 N ALA A 164 -4.783 14.397 8.965 1.00 0.00 N +ATOM 1313 CA ALA A 164 -4.875 12.963 8.702 1.00 0.00 C +ATOM 1314 C ALA A 164 -6.159 12.624 7.951 1.00 0.00 C +ATOM 1315 CB ALA A 164 -4.804 12.177 10.010 1.00 0.00 C +ATOM 1316 O ALA A 164 -6.122 11.954 6.917 1.00 0.00 O +ATOM 1317 N THR A 165 -7.292 13.171 8.385 1.00 0.00 N +ATOM 1318 CA THR A 165 -8.591 12.959 7.756 1.00 0.00 C +ATOM 1319 C THR A 165 -8.615 13.552 6.351 1.00 0.00 C +ATOM 1320 CB THR A 165 -9.725 13.575 8.596 1.00 0.00 C +ATOM 1321 O THR A 165 -9.060 12.900 5.403 1.00 0.00 O +ATOM 1322 CG2 THR A 165 -11.087 13.305 7.965 1.00 0.00 C +ATOM 1323 OG1 THR A 165 -9.700 13.008 9.912 1.00 0.00 O +ATOM 1324 N ALA A 166 -8.058 14.722 6.180 1.00 0.00 N +ATOM 1325 CA ALA A 166 -7.961 15.352 4.866 1.00 0.00 C +ATOM 1326 C ALA A 166 -7.101 14.519 3.920 1.00 0.00 C +ATOM 1327 CB ALA A 166 -7.393 16.763 4.994 1.00 0.00 C +ATOM 1328 O ALA A 166 -7.478 14.287 2.769 1.00 0.00 O +ATOM 1329 N GLY A 167 -5.999 14.010 4.378 1.00 0.00 N +ATOM 1330 CA GLY A 167 -5.139 13.124 3.609 1.00 0.00 C +ATOM 1331 C GLY A 167 -5.817 11.823 3.222 1.00 0.00 C +ATOM 1332 O GLY A 167 -5.714 11.380 2.076 1.00 0.00 O +ATOM 1333 N ILE A 168 -6.575 11.236 4.076 1.00 0.00 N +ATOM 1334 CA ILE A 168 -7.352 10.028 3.821 1.00 0.00 C +ATOM 1335 C ILE A 168 -8.424 10.315 2.773 1.00 0.00 C +ATOM 1336 CB ILE A 168 -7.999 9.489 5.117 1.00 0.00 C +ATOM 1337 O ILE A 168 -8.525 9.606 1.769 1.00 0.00 O +ATOM 1338 CG1 ILE A 168 -6.931 8.884 6.036 1.00 0.00 C +ATOM 1339 CG2 ILE A 168 -9.086 8.461 4.790 1.00 0.00 C +ATOM 1340 CD1 ILE A 168 -7.406 8.647 7.463 1.00 0.00 C +ATOM 1341 N ILE A 169 -9.211 11.372 2.929 1.00 0.00 N +ATOM 1342 CA ILE A 169 -10.263 11.759 1.996 1.00 0.00 C +ATOM 1343 C ILE A 169 -9.654 12.066 0.630 1.00 0.00 C +ATOM 1344 CB ILE A 169 -11.059 12.978 2.514 1.00 0.00 C +ATOM 1345 O ILE A 169 -10.131 11.574 -0.395 1.00 0.00 O +ATOM 1346 CG1 ILE A 169 -11.904 12.586 3.731 1.00 0.00 C +ATOM 1347 CG2 ILE A 169 -11.935 13.563 1.403 1.00 0.00 C +ATOM 1348 CD1 ILE A 169 -12.499 13.771 4.479 1.00 0.00 C +ATOM 1349 N PHE A 170 -8.566 12.777 0.596 1.00 0.00 N +ATOM 1350 CA PHE A 170 -7.830 13.080 -0.626 1.00 0.00 C +ATOM 1351 C PHE A 170 -7.381 11.799 -1.319 1.00 0.00 C +ATOM 1352 CB PHE A 170 -6.618 13.964 -0.319 1.00 0.00 C +ATOM 1353 O PHE A 170 -7.597 11.629 -2.520 1.00 0.00 O +ATOM 1354 CG PHE A 170 -5.721 14.197 -1.505 1.00 0.00 C +ATOM 1355 CD1 PHE A 170 -6.029 15.172 -2.446 1.00 0.00 C +ATOM 1356 CD2 PHE A 170 -4.569 13.440 -1.679 1.00 0.00 C +ATOM 1357 CE1 PHE A 170 -5.201 15.390 -3.545 1.00 0.00 C +ATOM 1358 CE2 PHE A 170 -3.737 13.652 -2.774 1.00 0.00 C +ATOM 1359 CZ PHE A 170 -4.055 14.626 -3.707 1.00 0.00 C +ATOM 1360 N SER A 171 -6.857 10.817 -0.613 1.00 0.00 N +ATOM 1361 CA SER A 171 -6.361 9.572 -1.191 1.00 0.00 C +ATOM 1362 C SER A 171 -7.478 8.802 -1.887 1.00 0.00 C +ATOM 1363 CB SER A 171 -5.723 8.696 -0.111 1.00 0.00 C +ATOM 1364 O SER A 171 -7.302 8.320 -3.008 1.00 0.00 O +ATOM 1365 OG SER A 171 -6.709 8.190 0.772 1.00 0.00 O +ATOM 1366 N TRP A 172 -8.681 8.732 -1.308 1.00 0.00 N +ATOM 1367 CA TRP A 172 -9.820 8.009 -1.862 1.00 0.00 C +ATOM 1368 C TRP A 172 -10.426 8.765 -3.039 1.00 0.00 C +ATOM 1369 CB TRP A 172 -10.885 7.777 -0.785 1.00 0.00 C +ATOM 1370 O TRP A 172 -10.680 8.182 -4.096 1.00 0.00 O +ATOM 1371 CG TRP A 172 -10.574 6.641 0.143 1.00 0.00 C +ATOM 1372 CD1 TRP A 172 -10.077 6.729 1.414 1.00 0.00 C +ATOM 1373 CD2 TRP A 172 -10.736 5.246 -0.129 1.00 0.00 C +ATOM 1374 CE2 TRP A 172 -10.318 4.544 1.023 1.00 0.00 C +ATOM 1375 CE3 TRP A 172 -11.196 4.521 -1.236 1.00 0.00 C +ATOM 1376 NE1 TRP A 172 -9.921 5.471 1.948 1.00 0.00 N +ATOM 1377 CH2 TRP A 172 -10.800 2.464 0.001 1.00 0.00 C +ATOM 1378 CZ2 TRP A 172 -10.346 3.149 1.098 1.00 0.00 C +ATOM 1379 CZ3 TRP A 172 -11.223 3.133 -1.159 1.00 0.00 C +ATOM 1380 N ILE A 173 -10.599 10.121 -2.949 1.00 1.28 N +ATOM 1381 CA ILE A 173 -11.102 10.931 -4.053 1.00 1.28 C +ATOM 1382 C ILE A 173 -10.137 10.851 -5.234 1.00 1.28 C +ATOM 1383 CB ILE A 173 -11.306 12.403 -3.627 1.00 1.28 C +ATOM 1384 O ILE A 173 -10.555 10.619 -6.371 1.00 1.28 O +ATOM 1385 CG1 ILE A 173 -12.475 12.516 -2.642 1.00 1.28 C +ATOM 1386 CG2 ILE A 173 -11.534 13.293 -4.852 1.00 1.28 C +ATOM 1387 CD1 ILE A 173 -12.648 13.905 -2.044 1.00 1.28 C +ATOM 1388 N TRP A 174 -8.852 10.938 -4.972 1.00 0.00 N +ATOM 1389 CA TRP A 174 -7.807 10.826 -5.985 1.00 0.00 C +ATOM 1390 C TRP A 174 -7.849 9.461 -6.663 1.00 0.00 C +ATOM 1391 CB TRP A 174 -6.428 11.058 -5.362 1.00 0.00 C +ATOM 1392 O TRP A 174 -7.908 9.373 -7.891 1.00 0.00 O +ATOM 1393 CG TRP A 174 -5.305 11.068 -6.356 1.00 0.00 C +ATOM 1394 CD1 TRP A 174 -4.530 10.006 -6.734 1.00 0.00 C +ATOM 1395 CD2 TRP A 174 -4.828 12.196 -7.095 1.00 0.00 C +ATOM 1396 CE2 TRP A 174 -3.761 11.745 -7.904 1.00 0.00 C +ATOM 1397 CE3 TRP A 174 -5.200 13.546 -7.153 1.00 0.00 C +ATOM 1398 NE1 TRP A 174 -3.600 10.407 -7.665 1.00 0.00 N +ATOM 1399 CH2 TRP A 174 -3.446 13.913 -8.799 1.00 0.00 C +ATOM 1400 CZ2 TRP A 174 -3.062 12.598 -8.762 1.00 0.00 C +ATOM 1401 CZ3 TRP A 174 -4.503 14.393 -8.007 1.00 0.00 C +ATOM 1402 N ALA A 175 -7.944 8.357 -5.889 1.00 26.89 N +ATOM 1403 CA ALA A 175 -8.013 6.986 -6.390 1.00 26.89 C +ATOM 1404 C ALA A 175 -9.251 6.783 -7.260 1.00 26.89 C +ATOM 1405 CB ALA A 175 -8.014 5.995 -5.229 1.00 26.89 C +ATOM 1406 O ALA A 175 -9.153 6.276 -8.380 1.00 26.89 O +ATOM 1407 N ILE A 176 -10.414 7.243 -6.836 1.00 0.53 N +ATOM 1408 CA ILE A 176 -11.677 7.111 -7.555 1.00 0.53 C +ATOM 1409 C ILE A 176 -11.605 7.884 -8.870 1.00 0.53 C +ATOM 1410 CB ILE A 176 -12.866 7.610 -6.704 1.00 0.53 C +ATOM 1411 O ILE A 176 -11.944 7.351 -9.929 1.00 0.53 O +ATOM 1412 CG1 ILE A 176 -13.156 6.628 -5.563 1.00 0.53 C +ATOM 1413 CG2 ILE A 176 -14.107 7.815 -7.578 1.00 0.53 C +ATOM 1414 CD1 ILE A 176 -14.027 7.205 -4.456 1.00 0.53 C +ATOM 1415 N LEU A 177 -11.080 9.108 -8.856 1.00 8.31 N +ATOM 1416 CA LEU A 177 -10.999 9.963 -10.036 1.00 8.31 C +ATOM 1417 C LEU A 177 -10.059 9.365 -11.077 1.00 8.31 C +ATOM 1418 CB LEU A 177 -10.525 11.366 -9.650 1.00 8.31 C +ATOM 1419 O LEU A 177 -10.395 9.306 -12.262 1.00 8.31 O +ATOM 1420 CG LEU A 177 -11.536 12.244 -8.910 1.00 8.31 C +ATOM 1421 CD1 LEU A 177 -10.886 13.555 -8.481 1.00 8.31 C +ATOM 1422 CD2 LEU A 177 -12.757 12.508 -9.785 1.00 8.31 C +ATOM 1423 N TRP A 178 -8.950 8.740 -10.656 1.00 0.00 N +ATOM 1424 CA TRP A 178 -7.942 8.210 -11.569 1.00 0.00 C +ATOM 1425 C TRP A 178 -8.345 6.834 -12.086 1.00 0.00 C +ATOM 1426 CB TRP A 178 -6.579 8.130 -10.876 1.00 0.00 C +ATOM 1427 O TRP A 178 -7.955 6.438 -13.187 1.00 0.00 O +ATOM 1428 CG TRP A 178 -5.819 9.423 -10.874 1.00 0.00 C +ATOM 1429 CD1 TRP A 178 -5.639 10.271 -9.817 1.00 0.00 C +ATOM 1430 CD2 TRP A 178 -5.141 10.016 -11.985 1.00 0.00 C +ATOM 1431 CE2 TRP A 178 -4.571 11.225 -11.529 1.00 0.00 C +ATOM 1432 CE3 TRP A 178 -4.960 9.643 -13.324 1.00 0.00 C +ATOM 1433 NE1 TRP A 178 -4.889 11.357 -10.204 1.00 0.00 N +ATOM 1434 CH2 TRP A 178 -3.668 11.675 -13.670 1.00 0.00 C +ATOM 1435 CZ2 TRP A 178 -3.830 12.064 -12.366 1.00 0.00 C +ATOM 1436 CZ3 TRP A 178 -4.223 10.479 -14.154 1.00 0.00 C +ATOM 1437 N CYS A 179 -9.203 6.173 -11.388 1.00 0.00 N +ATOM 1438 CA CYS A 179 -9.655 4.851 -11.806 1.00 0.00 C +ATOM 1439 C CYS A 179 -10.967 4.941 -12.576 1.00 0.00 C +ATOM 1440 CB CYS A 179 -9.826 3.935 -10.595 1.00 0.00 C +ATOM 1441 O CYS A 179 -11.442 3.943 -13.121 1.00 0.00 O +ATOM 1442 SG CYS A 179 -8.278 3.557 -9.743 1.00 0.00 S +ATOM 1443 N ALA A 180 -11.563 6.124 -12.744 1.00 0.00 N +ATOM 1444 CA ALA A 180 -12.873 6.309 -13.362 1.00 0.00 C +ATOM 1445 C ALA A 180 -12.787 6.172 -14.879 1.00 0.00 C +ATOM 1446 CB ALA A 180 -13.453 7.670 -12.985 1.00 0.00 C +ATOM 1447 O ALA A 180 -13.686 5.611 -15.510 1.00 0.00 O +ATOM 1448 N PRO A 181 -11.748 6.568 -15.577 1.00 0.00 N +ATOM 1449 CA PRO A 181 -11.753 6.660 -17.038 1.00 0.00 C +ATOM 1450 C PRO A 181 -12.010 5.315 -17.713 1.00 0.00 C +ATOM 1451 CB PRO A 181 -10.349 7.175 -17.364 1.00 0.00 C +ATOM 1452 O PRO A 181 -12.778 5.239 -18.675 1.00 0.00 O +ATOM 1453 CG PRO A 181 -9.973 8.027 -16.195 1.00 0.00 C +ATOM 1454 CD PRO A 181 -10.476 7.367 -14.943 1.00 0.00 C +ATOM 1455 N PRO A 182 -11.527 4.139 -17.175 1.00 0.00 N +ATOM 1456 CA PRO A 182 -11.830 2.842 -17.785 1.00 0.00 C +ATOM 1457 C PRO A 182 -13.313 2.488 -17.713 1.00 0.00 C +ATOM 1458 CB PRO A 182 -10.993 1.861 -16.961 1.00 0.00 C +ATOM 1459 O PRO A 182 -13.838 1.824 -18.610 1.00 0.00 O +ATOM 1460 CG PRO A 182 -9.839 2.669 -16.461 1.00 0.00 C +ATOM 1461 CD PRO A 182 -10.324 4.058 -16.160 1.00 0.00 C +ATOM 1462 N ILE A 183 -14.047 2.912 -16.759 1.00 0.00 N +ATOM 1463 CA ILE A 183 -15.479 2.683 -16.601 1.00 0.00 C +ATOM 1464 C ILE A 183 -16.244 3.422 -17.696 1.00 0.00 C +ATOM 1465 CB ILE A 183 -15.973 3.130 -15.207 1.00 0.00 C +ATOM 1466 O ILE A 183 -17.255 2.927 -18.199 1.00 0.00 O +ATOM 1467 CG1 ILE A 183 -15.262 2.333 -14.107 1.00 0.00 C +ATOM 1468 CG2 ILE A 183 -17.493 2.978 -15.098 1.00 0.00 C +ATOM 1469 CD1 ILE A 183 -15.604 2.786 -12.694 1.00 0.00 C +ATOM 1470 N PHE A 184 -15.656 4.541 -18.139 1.00 0.00 N +ATOM 1471 CA PHE A 184 -16.293 5.380 -19.147 1.00 0.00 C +ATOM 1472 C PHE A 184 -15.836 4.987 -20.546 1.00 0.00 C +ATOM 1473 CB PHE A 184 -15.986 6.858 -18.890 1.00 0.00 C +ATOM 1474 O PHE A 184 -16.116 5.692 -21.518 1.00 0.00 O +ATOM 1475 CG PHE A 184 -16.561 7.383 -17.602 1.00 0.00 C +ATOM 1476 CD1 PHE A 184 -17.935 7.402 -17.395 1.00 0.00 C +ATOM 1477 CD2 PHE A 184 -15.727 7.858 -16.598 1.00 0.00 C +ATOM 1478 CE1 PHE A 184 -18.470 7.887 -16.204 1.00 0.00 C +ATOM 1479 CE2 PHE A 184 -16.255 8.344 -15.405 1.00 0.00 C +ATOM 1480 CZ PHE A 184 -17.627 8.359 -15.211 1.00 0.00 C +ATOM 1481 N GLY A 185 -15.159 3.912 -20.640 1.00 0.00 N +ATOM 1482 CA GLY A 185 -14.745 3.351 -21.916 1.00 0.00 C +ATOM 1483 C GLY A 185 -13.496 4.002 -22.478 1.00 0.00 C +ATOM 1484 O GLY A 185 -13.101 3.725 -23.612 1.00 0.00 O +ATOM 1485 N TRP A 186 -12.820 4.956 -21.735 1.00 0.00 N +ATOM 1486 CA TRP A 186 -11.594 5.617 -22.170 1.00 0.00 C +ATOM 1487 C TRP A 186 -10.421 4.642 -22.172 1.00 0.00 C +ATOM 1488 CB TRP A 186 -11.278 6.813 -21.268 1.00 0.00 C +ATOM 1489 O TRP A 186 -9.422 4.865 -22.859 1.00 0.00 O +ATOM 1490 CG TRP A 186 -12.262 7.939 -21.382 1.00 0.00 C +ATOM 1491 CD1 TRP A 186 -13.360 7.995 -22.195 1.00 0.00 C +ATOM 1492 CD2 TRP A 186 -12.233 9.174 -20.661 1.00 0.00 C +ATOM 1493 CE2 TRP A 186 -13.346 9.933 -21.087 1.00 0.00 C +ATOM 1494 CE3 TRP A 186 -11.374 9.714 -19.694 1.00 0.00 C +ATOM 1495 NE1 TRP A 186 -14.016 9.191 -22.022 1.00 0.00 N +ATOM 1496 CH2 TRP A 186 -12.765 11.709 -19.634 1.00 0.00 C +ATOM 1497 CZ2 TRP A 186 -13.622 11.204 -20.578 1.00 0.00 C +ATOM 1498 CZ3 TRP A 186 -11.650 10.980 -19.190 1.00 0.00 C +ATOM 1499 N SER A 187 -10.604 3.511 -21.519 1.00 0.00 N +ATOM 1500 CA SER A 187 -9.722 2.348 -21.478 1.00 0.00 C +ATOM 1501 C SER A 187 -10.513 1.062 -21.263 1.00 0.00 C +ATOM 1502 CB SER A 187 -8.679 2.505 -20.371 1.00 0.00 C +ATOM 1503 O SER A 187 -11.607 1.087 -20.695 1.00 0.00 O +ATOM 1504 OG SER A 187 -9.143 1.939 -19.158 1.00 0.00 O +ATOM 1505 N ARG A 188 -10.163 0.036 -22.025 1.00 0.00 N +ATOM 1506 CA ARG A 188 -10.799 -1.262 -21.826 1.00 0.00 C +ATOM 1507 C ARG A 188 -10.117 -2.039 -20.705 1.00 0.00 C +ATOM 1508 CB ARG A 188 -10.772 -2.078 -23.120 1.00 0.00 C +ATOM 1509 O ARG A 188 -8.888 -2.124 -20.660 1.00 0.00 O +ATOM 1510 CG ARG A 188 -11.558 -1.450 -24.260 1.00 0.00 C +ATOM 1511 CD ARG A 188 -11.526 -2.316 -25.512 1.00 0.00 C +ATOM 1512 NE ARG A 188 -12.241 -1.690 -26.620 1.00 0.00 N +ATOM 1513 NH1 ARG A 188 -11.983 -3.472 -28.066 1.00 0.00 N +ATOM 1514 NH2 ARG A 188 -13.107 -1.593 -28.745 1.00 0.00 N +ATOM 1515 CZ ARG A 188 -12.442 -2.253 -27.808 1.00 0.00 C +ATOM 1516 N TYR A 189 -10.808 -2.476 -19.674 1.00 0.00 N +ATOM 1517 CA TYR A 189 -10.345 -3.575 -18.835 1.00 0.00 C +ATOM 1518 C TYR A 189 -10.430 -4.902 -19.578 1.00 0.00 C +ATOM 1519 CB TYR A 189 -11.165 -3.647 -17.543 1.00 0.00 C +ATOM 1520 O TYR A 189 -11.487 -5.261 -20.103 1.00 0.00 O +ATOM 1521 CG TYR A 189 -10.836 -2.555 -16.554 1.00 0.00 C +ATOM 1522 CD1 TYR A 189 -9.697 -2.633 -15.754 1.00 0.00 C +ATOM 1523 CD2 TYR A 189 -11.662 -1.445 -16.416 1.00 0.00 C +ATOM 1524 CE1 TYR A 189 -9.391 -1.630 -14.840 1.00 0.00 C +ATOM 1525 CE2 TYR A 189 -11.365 -0.437 -15.505 1.00 0.00 C +ATOM 1526 OH TYR A 189 -9.931 0.458 -13.819 1.00 0.00 O +ATOM 1527 CZ TYR A 189 -10.229 -0.538 -14.723 1.00 0.00 C +ATOM 1528 N TRP A 190 -9.183 -5.564 -19.595 1.00 0.00 N +ATOM 1529 CA TRP A 190 -9.048 -6.887 -20.196 1.00 0.00 C +ATOM 1530 C TRP A 190 -8.636 -7.920 -19.152 1.00 0.00 C +ATOM 1531 CB TRP A 190 -8.026 -6.858 -21.335 1.00 0.00 C +ATOM 1532 O TRP A 190 -7.892 -7.607 -18.220 1.00 0.00 O +ATOM 1533 CG TRP A 190 -8.497 -6.130 -22.558 1.00 0.00 C +ATOM 1534 CD1 TRP A 190 -8.237 -4.831 -22.896 1.00 0.00 C +ATOM 1535 CD2 TRP A 190 -9.316 -6.660 -23.605 1.00 0.00 C +ATOM 1536 CE2 TRP A 190 -9.513 -5.626 -24.546 1.00 0.00 C +ATOM 1537 CE3 TRP A 190 -9.902 -7.911 -23.839 1.00 0.00 C +ATOM 1538 NE1 TRP A 190 -8.845 -4.522 -24.090 1.00 0.00 N +ATOM 1539 CH2 TRP A 190 -10.835 -7.038 -25.909 1.00 0.00 C +ATOM 1540 CZ2 TRP A 190 -10.273 -5.805 -25.705 1.00 0.00 C +ATOM 1541 CZ3 TRP A 190 -10.658 -8.087 -24.993 1.00 0.00 C +ATOM 1542 N PRO A 191 -9.155 -9.125 -19.224 1.00 0.00 N +ATOM 1543 CA PRO A 191 -8.502 -10.181 -18.446 1.00 0.00 C +ATOM 1544 C PRO A 191 -7.028 -10.352 -18.804 1.00 0.00 C +ATOM 1545 CB PRO A 191 -9.302 -11.434 -18.812 1.00 0.00 C +ATOM 1546 O PRO A 191 -6.695 -10.593 -19.967 1.00 0.00 O +ATOM 1547 CG PRO A 191 -9.928 -11.116 -20.131 1.00 0.00 C +ATOM 1548 CD PRO A 191 -10.011 -9.623 -20.272 1.00 0.00 C +ATOM 1549 N HIS A 192 -6.131 -10.236 -17.847 1.00 0.00 N +ATOM 1550 CA HIS A 192 -4.700 -10.487 -17.981 1.00 0.00 C +ATOM 1551 C HIS A 192 -4.415 -11.977 -18.145 1.00 0.00 C +ATOM 1552 CB HIS A 192 -3.944 -9.939 -16.769 1.00 0.00 C +ATOM 1553 O HIS A 192 -4.975 -12.803 -17.422 1.00 0.00 O +ATOM 1554 CG HIS A 192 -3.970 -8.447 -16.672 1.00 0.00 C +ATOM 1555 CD2 HIS A 192 -4.509 -7.626 -15.740 1.00 0.00 C +ATOM 1556 ND1 HIS A 192 -3.390 -7.629 -17.617 1.00 0.00 N +ATOM 1557 CE1 HIS A 192 -3.571 -6.366 -17.270 1.00 0.00 C +ATOM 1558 NE2 HIS A 192 -4.247 -6.337 -16.134 1.00 0.00 N +ATOM 1559 N GLY A 193 -3.560 -12.376 -19.242 1.00 0.00 N +ATOM 1560 CA GLY A 193 -2.934 -13.587 -19.748 1.00 0.00 C +ATOM 1561 C GLY A 193 -3.460 -14.850 -19.093 1.00 0.00 C +ATOM 1562 O GLY A 193 -3.883 -15.782 -19.781 1.00 0.00 O +ATOM 1563 N LEU A 194 -3.309 -14.915 -17.634 1.00 0.00 N +ATOM 1564 CA LEU A 194 -3.702 -16.139 -16.944 1.00 0.00 C +ATOM 1565 C LEU A 194 -5.179 -16.101 -16.568 1.00 0.00 C +ATOM 1566 CB LEU A 194 -2.849 -16.345 -15.690 1.00 0.00 C +ATOM 1567 O LEU A 194 -5.658 -16.965 -15.829 1.00 0.00 O +ATOM 1568 CG LEU A 194 -1.383 -16.717 -15.920 1.00 0.00 C +ATOM 1569 CD1 LEU A 194 -0.609 -16.658 -14.607 1.00 0.00 C +ATOM 1570 CD2 LEU A 194 -1.275 -18.101 -16.549 1.00 0.00 C +ATOM 1571 N LYS A 195 -5.966 -15.072 -17.088 1.00 0.00 N +ATOM 1572 CA LYS A 195 -7.359 -14.879 -16.694 1.00 0.00 C +ATOM 1573 C LYS A 195 -7.485 -14.724 -15.181 1.00 0.00 C +ATOM 1574 CB LYS A 195 -8.220 -16.048 -17.174 1.00 0.00 C +ATOM 1575 O LYS A 195 -8.512 -15.079 -14.599 1.00 0.00 O +ATOM 1576 CG LYS A 195 -8.292 -16.182 -18.688 1.00 0.00 C +ATOM 1577 CD LYS A 195 -9.272 -17.270 -19.107 1.00 0.00 C +ATOM 1578 CE LYS A 195 -9.386 -17.369 -20.622 1.00 0.00 C +ATOM 1579 NZ LYS A 195 -10.396 -18.388 -21.037 1.00 0.00 N +ATOM 1580 N THR A 196 -6.363 -14.556 -14.455 1.00 0.00 N +ATOM 1581 CA THR A 196 -6.332 -14.604 -12.997 1.00 0.00 C +ATOM 1582 C THR A 196 -6.620 -13.228 -12.404 1.00 0.00 C +ATOM 1583 CB THR A 196 -4.972 -15.112 -12.484 1.00 0.00 C +ATOM 1584 O THR A 196 -6.992 -13.116 -11.234 1.00 0.00 O +ATOM 1585 CG2 THR A 196 -4.763 -16.580 -12.841 1.00 0.00 C +ATOM 1586 OG1 THR A 196 -3.923 -14.334 -13.075 1.00 0.00 O +ATOM 1587 N SER A 197 -6.521 -12.128 -13.155 1.00 0.00 N +ATOM 1588 CA SER A 197 -6.850 -10.781 -12.700 1.00 0.00 C +ATOM 1589 C SER A 197 -7.315 -9.904 -13.857 1.00 0.00 C +ATOM 1590 CB SER A 197 -5.644 -10.138 -12.014 1.00 0.00 C +ATOM 1591 O SER A 197 -6.785 -9.998 -14.966 1.00 0.00 O +ATOM 1592 OG SER A 197 -4.541 -10.064 -12.901 1.00 0.00 O +ATOM 1593 N CYS A 198 -8.401 -9.168 -13.552 1.00 0.00 N +ATOM 1594 CA CYS A 198 -8.838 -8.047 -14.376 1.00 0.00 C +ATOM 1595 C CYS A 198 -8.090 -6.773 -14.004 1.00 0.00 C +ATOM 1596 CB CYS A 198 -10.343 -7.828 -14.229 1.00 0.00 C +ATOM 1597 O CYS A 198 -8.005 -6.420 -12.826 1.00 0.00 O +ATOM 1598 SG CYS A 198 -11.339 -9.241 -14.752 1.00 0.00 S +ATOM 1599 N GLY A 199 -7.231 -6.280 -14.868 1.00 0.00 N +ATOM 1600 CA GLY A 199 -6.549 -5.003 -14.728 1.00 0.00 C +ATOM 1601 C GLY A 199 -6.724 -4.098 -15.933 1.00 0.00 C +ATOM 1602 O GLY A 199 -7.273 -4.515 -16.955 1.00 0.00 O +ATOM 1603 N PRO A 200 -6.423 -2.752 -15.669 1.00 0.00 N +ATOM 1604 CA PRO A 200 -6.332 -1.911 -16.865 1.00 0.00 C +ATOM 1605 C PRO A 200 -5.450 -2.524 -17.951 1.00 0.00 C +ATOM 1606 CB PRO A 200 -5.723 -0.611 -16.336 1.00 0.00 C +ATOM 1607 O PRO A 200 -4.477 -3.216 -17.643 1.00 0.00 O +ATOM 1608 CG PRO A 200 -4.961 -1.015 -15.115 1.00 0.00 C +ATOM 1609 CD PRO A 200 -5.604 -2.242 -14.536 1.00 0.00 C +ATOM 1610 N ASP A 201 -5.876 -2.396 -19.172 1.00 0.00 N +ATOM 1611 CA ASP A 201 -5.232 -2.907 -20.378 1.00 0.00 C +ATOM 1612 C ASP A 201 -3.764 -2.488 -20.436 1.00 0.00 C +ATOM 1613 CB ASP A 201 -5.968 -2.420 -21.627 1.00 0.00 C +ATOM 1614 O ASP A 201 -3.272 -2.078 -21.490 1.00 0.00 O +ATOM 1615 CG ASP A 201 -5.887 -3.401 -22.783 1.00 0.00 C +ATOM 1616 OD1 ASP A 201 -5.285 -4.485 -22.623 1.00 0.00 O +ATOM 1617 OD2 ASP A 201 -6.428 -3.087 -23.866 1.00 0.00 O +ATOM 1618 N VAL A 202 -3.100 -2.427 -19.357 1.00 0.00 N +ATOM 1619 CA VAL A 202 -1.672 -2.127 -19.337 1.00 0.00 C +ATOM 1620 C VAL A 202 -0.926 -3.107 -20.239 1.00 0.00 C +ATOM 1621 CB VAL A 202 -1.100 -2.183 -17.902 1.00 0.00 C +ATOM 1622 O VAL A 202 0.106 -2.764 -20.820 1.00 0.00 O +ATOM 1623 CG1 VAL A 202 0.358 -1.728 -17.884 1.00 0.00 C +ATOM 1624 CG2 VAL A 202 -1.943 -1.325 -16.959 1.00 0.00 C +ATOM 1625 N PHE A 203 -1.539 -4.265 -20.476 1.00 0.00 N +ATOM 1626 CA PHE A 203 -0.769 -5.405 -20.959 1.00 0.00 C +ATOM 1627 C PHE A 203 -1.222 -5.811 -22.356 1.00 0.00 C +ATOM 1628 CB PHE A 203 -0.903 -6.591 -19.998 1.00 0.00 C +ATOM 1629 O PHE A 203 -0.593 -6.655 -22.998 1.00 0.00 O +ATOM 1630 CG PHE A 203 -0.432 -6.295 -18.600 1.00 0.00 C +ATOM 1631 CD1 PHE A 203 0.908 -6.031 -18.343 1.00 0.00 C +ATOM 1632 CD2 PHE A 203 -1.331 -6.281 -17.541 1.00 0.00 C +ATOM 1633 CE1 PHE A 203 1.346 -5.757 -17.050 1.00 0.00 C +ATOM 1634 CE2 PHE A 203 -0.900 -6.008 -16.246 1.00 0.00 C +ATOM 1635 CZ PHE A 203 0.438 -5.747 -16.002 1.00 0.00 C +ATOM 1636 N SER A 204 -2.316 -5.314 -22.963 1.00 0.00 N +ATOM 1637 CA SER A 204 -2.839 -5.786 -24.240 1.00 0.00 C +ATOM 1638 C SER A 204 -2.028 -5.234 -25.408 1.00 0.00 C +ATOM 1639 CB SER A 204 -4.308 -5.391 -24.398 1.00 0.00 C +ATOM 1640 O SER A 204 -2.247 -5.616 -26.559 1.00 0.00 O +ATOM 1641 OG SER A 204 -4.444 -3.983 -24.480 1.00 0.00 O +ATOM 1642 N GLY A 205 -1.010 -4.293 -25.141 1.00 0.00 N +ATOM 1643 CA GLY A 205 -0.336 -3.708 -26.290 1.00 0.00 C +ATOM 1644 C GLY A 205 -1.237 -2.811 -27.117 1.00 0.00 C +ATOM 1645 O GLY A 205 -1.078 -2.717 -28.336 1.00 0.00 O +ATOM 1646 N SER A 206 -2.352 -2.270 -26.571 1.00 0.93 N +ATOM 1647 CA SER A 206 -3.196 -1.340 -27.314 1.00 0.93 C +ATOM 1648 C SER A 206 -2.369 -0.222 -27.940 1.00 0.93 C +ATOM 1649 CB SER A 206 -4.268 -0.742 -26.401 1.00 0.93 C +ATOM 1650 O SER A 206 -1.668 0.508 -27.236 1.00 0.93 O +ATOM 1651 OG SER A 206 -5.115 0.132 -27.126 1.00 0.93 O +ATOM 1652 N GLU A 207 -2.443 -0.082 -29.238 1.00 0.00 N +ATOM 1653 CA GLU A 207 -1.786 0.975 -30.003 1.00 0.00 C +ATOM 1654 C GLU A 207 -2.542 2.295 -29.882 1.00 0.00 C +ATOM 1655 CB GLU A 207 -1.659 0.574 -31.474 1.00 0.00 C +ATOM 1656 O GLU A 207 -2.078 3.328 -30.368 1.00 0.00 O +ATOM 1657 CG GLU A 207 -0.760 -0.632 -31.708 1.00 0.00 C +ATOM 1658 CD GLU A 207 -0.458 -0.880 -33.177 1.00 0.00 C +ATOM 1659 OE1 GLU A 207 -1.214 -0.385 -34.044 1.00 0.00 O +ATOM 1660 OE2 GLU A 207 0.542 -1.576 -33.464 1.00 0.00 O +ATOM 1661 N ASP A 208 -3.677 2.267 -29.204 1.00 0.00 N +ATOM 1662 CA ASP A 208 -4.453 3.485 -28.993 1.00 0.00 C +ATOM 1663 C ASP A 208 -3.665 4.502 -28.170 1.00 0.00 C +ATOM 1664 CB ASP A 208 -5.779 3.163 -28.301 1.00 0.00 C +ATOM 1665 O ASP A 208 -3.325 4.243 -27.014 1.00 0.00 O +ATOM 1666 CG ASP A 208 -6.668 4.382 -28.127 1.00 0.00 C +ATOM 1667 OD1 ASP A 208 -6.142 5.512 -28.028 1.00 0.00 O +ATOM 1668 OD2 ASP A 208 -7.906 4.212 -28.084 1.00 0.00 O +ATOM 1669 N PRO A 209 -3.343 5.706 -28.736 1.00 0.00 N +ATOM 1670 CA PRO A 209 -2.539 6.723 -28.053 1.00 0.00 C +ATOM 1671 C PRO A 209 -3.194 7.231 -26.772 1.00 0.00 C +ATOM 1672 CB PRO A 209 -2.429 7.842 -29.092 1.00 0.00 C +ATOM 1673 O PRO A 209 -2.498 7.607 -25.825 1.00 0.00 O +ATOM 1674 CG PRO A 209 -3.593 7.630 -30.005 1.00 0.00 C +ATOM 1675 CD PRO A 209 -3.884 6.158 -30.075 1.00 0.00 C +ATOM 1676 N GLY A 210 -4.519 7.292 -26.696 1.00 0.00 N +ATOM 1677 CA GLY A 210 -5.253 7.667 -25.498 1.00 0.00 C +ATOM 1678 C GLY A 210 -5.034 6.712 -24.340 1.00 0.00 C +ATOM 1679 O GLY A 210 -4.701 7.137 -23.232 1.00 0.00 O +ATOM 1680 N VAL A 211 -5.102 5.381 -24.598 1.00 0.00 N +ATOM 1681 CA VAL A 211 -4.858 4.345 -23.599 1.00 0.00 C +ATOM 1682 C VAL A 211 -3.416 4.433 -23.106 1.00 0.00 C +ATOM 1683 CB VAL A 211 -5.144 2.935 -24.163 1.00 0.00 C +ATOM 1684 O VAL A 211 -3.166 4.446 -21.898 1.00 0.00 O +ATOM 1685 CG1 VAL A 211 -4.776 1.861 -23.141 1.00 0.00 C +ATOM 1686 CG2 VAL A 211 -6.611 2.811 -24.569 1.00 0.00 C +ATOM 1687 N LYS A 212 -2.491 4.623 -24.004 1.00 0.00 N +ATOM 1688 CA LYS A 212 -1.078 4.769 -23.666 1.00 0.00 C +ATOM 1689 C LYS A 212 -0.847 5.994 -22.787 1.00 0.00 C +ATOM 1690 CB LYS A 212 -0.230 4.867 -24.935 1.00 0.00 C +ATOM 1691 O LYS A 212 -0.178 5.907 -21.755 1.00 0.00 O +ATOM 1692 CG LYS A 212 1.270 4.861 -24.680 1.00 0.00 C +ATOM 1693 CD LYS A 212 2.058 4.765 -25.979 1.00 0.00 C +ATOM 1694 CE LYS A 212 3.559 4.739 -25.724 1.00 0.00 C +ATOM 1695 NZ LYS A 212 4.330 4.476 -26.976 1.00 0.00 N +ATOM 1696 N SER A 213 -1.358 7.139 -23.187 1.00 0.00 N +ATOM 1697 CA SER A 213 -1.239 8.373 -22.418 1.00 0.00 C +ATOM 1698 C SER A 213 -1.856 8.222 -21.031 1.00 0.00 C +ATOM 1699 CB SER A 213 -1.906 9.534 -23.158 1.00 0.00 C +ATOM 1700 O SER A 213 -1.251 8.614 -20.031 1.00 0.00 O +ATOM 1701 OG SER A 213 -1.691 10.756 -22.474 1.00 0.00 O +ATOM 1702 N TYR A 214 -3.007 7.639 -20.915 1.00 0.00 N +ATOM 1703 CA TYR A 214 -3.669 7.376 -19.642 1.00 0.00 C +ATOM 1704 C TYR A 214 -2.819 6.467 -18.763 1.00 0.00 C +ATOM 1705 CB TYR A 214 -5.045 6.744 -19.872 1.00 0.00 C +ATOM 1706 O TYR A 214 -2.594 6.763 -17.587 1.00 0.00 O +ATOM 1707 CG TYR A 214 -5.698 6.237 -18.609 1.00 0.00 C +ATOM 1708 CD1 TYR A 214 -6.223 7.121 -17.670 1.00 0.00 C +ATOM 1709 CD2 TYR A 214 -5.791 4.873 -18.352 1.00 0.00 C +ATOM 1710 CE1 TYR A 214 -6.825 6.659 -16.504 1.00 0.00 C +ATOM 1711 CE2 TYR A 214 -6.390 4.399 -17.190 1.00 0.00 C +ATOM 1712 OH TYR A 214 -7.498 4.835 -15.121 1.00 0.00 O +ATOM 1713 CZ TYR A 214 -6.904 5.298 -16.273 1.00 0.00 C +ATOM 1714 N MET A 215 -2.191 5.511 -19.287 1.00 0.00 N +ATOM 1715 CA MET A 215 -1.374 4.547 -18.555 1.00 0.00 C +ATOM 1716 C MET A 215 -0.104 5.203 -18.023 1.00 0.00 C +ATOM 1717 CB MET A 215 -1.013 3.358 -19.449 1.00 0.00 C +ATOM 1718 O MET A 215 0.253 5.019 -16.858 1.00 0.00 O +ATOM 1719 CG MET A 215 -2.185 2.436 -19.744 1.00 0.00 C +ATOM 1720 SD MET A 215 -2.858 1.648 -18.229 1.00 0.00 S +ATOM 1721 CE MET A 215 -4.400 0.955 -18.888 1.00 0.00 C +ATOM 1722 N ILE A 216 0.557 5.903 -18.882 1.00 3.44 N +ATOM 1723 CA ILE A 216 1.735 6.662 -18.477 1.00 3.44 C +ATOM 1724 C ILE A 216 1.362 7.638 -17.364 1.00 3.44 C +ATOM 1725 CB ILE A 216 2.355 7.423 -19.671 1.00 3.44 C +ATOM 1726 O ILE A 216 2.047 7.714 -16.341 1.00 3.44 O +ATOM 1727 CG1 ILE A 216 2.996 6.439 -20.656 1.00 3.44 C +ATOM 1728 CG2 ILE A 216 3.378 8.453 -19.182 1.00 3.44 C +ATOM 1729 CD1 ILE A 216 3.371 7.059 -21.995 1.00 3.44 C +ATOM 1730 N THR A 217 0.244 8.296 -17.504 1.00 0.00 N +ATOM 1731 CA THR A 217 -0.224 9.233 -16.489 1.00 0.00 C +ATOM 1732 C THR A 217 -0.583 8.500 -15.200 1.00 0.00 C +ATOM 1733 CB THR A 217 -1.444 10.031 -16.985 1.00 0.00 C +ATOM 1734 O THR A 217 -0.187 8.920 -14.110 1.00 0.00 O +ATOM 1735 CG2 THR A 217 -1.871 11.078 -15.961 1.00 0.00 C +ATOM 1736 OG1 THR A 217 -1.110 10.689 -18.214 1.00 0.00 O +ATOM 1737 N LEU A 218 -1.305 7.339 -15.244 1.00 0.00 N +ATOM 1738 CA LEU A 218 -1.636 6.494 -14.102 1.00 0.00 C +ATOM 1739 C LEU A 218 -0.372 6.001 -13.406 1.00 0.00 C +ATOM 1740 CB LEU A 218 -2.486 5.301 -14.547 1.00 0.00 C +ATOM 1741 O LEU A 218 -0.222 6.165 -12.193 1.00 0.00 O +ATOM 1742 CG LEU A 218 -3.034 4.406 -13.434 1.00 0.00 C +ATOM 1743 CD1 LEU A 218 -4.188 5.099 -12.717 1.00 0.00 C +ATOM 1744 CD2 LEU A 218 -3.479 3.062 -13.999 1.00 0.00 C +ATOM 1745 N LEU A 219 0.592 5.475 -14.134 1.00 85.13 N +ATOM 1746 CA LEU A 219 1.866 5.006 -13.600 1.00 85.13 C +ATOM 1747 C LEU A 219 2.615 6.138 -12.905 1.00 85.13 C +ATOM 1748 CB LEU A 219 2.731 4.416 -14.716 1.00 85.13 C +ATOM 1749 O LEU A 219 3.088 5.976 -11.779 1.00 85.13 O +ATOM 1750 CG LEU A 219 4.099 3.873 -14.299 1.00 85.13 C +ATOM 1751 CD1 LEU A 219 3.933 2.660 -13.390 1.00 85.13 C +ATOM 1752 CD2 LEU A 219 4.931 3.517 -15.527 1.00 85.13 C +ATOM 1753 N PHE A 220 2.725 7.287 -13.510 1.00 0.08 N +ATOM 1754 CA PHE A 220 3.410 8.449 -12.956 1.00 0.08 C +ATOM 1755 C PHE A 220 2.722 8.927 -11.682 1.00 0.08 C +ATOM 1756 CB PHE A 220 3.461 9.585 -13.982 1.00 0.08 C +ATOM 1757 O PHE A 220 3.363 9.063 -10.638 1.00 0.08 O +ATOM 1758 CG PHE A 220 4.193 10.808 -13.499 1.00 0.08 C +ATOM 1759 CD1 PHE A 220 5.582 10.854 -13.511 1.00 0.08 C +ATOM 1760 CD2 PHE A 220 3.491 11.911 -13.031 1.00 0.08 C +ATOM 1761 CE1 PHE A 220 6.262 11.985 -13.064 1.00 0.08 C +ATOM 1762 CE2 PHE A 220 4.164 13.045 -12.582 1.00 0.08 C +ATOM 1763 CZ PHE A 220 5.549 13.079 -12.599 1.00 0.08 C +ATOM 1764 N THR A 221 1.392 9.075 -11.671 1.00 0.00 N +ATOM 1765 CA THR A 221 0.656 9.746 -10.606 1.00 0.00 C +ATOM 1766 C THR A 221 0.348 8.777 -9.468 1.00 0.00 C +ATOM 1767 CB THR A 221 -0.655 10.358 -11.132 1.00 0.00 C +ATOM 1768 O THR A 221 0.238 9.185 -8.310 1.00 0.00 O +ATOM 1769 CG2 THR A 221 -0.378 11.494 -12.111 1.00 0.00 C +ATOM 1770 OG1 THR A 221 -1.415 9.343 -11.799 1.00 0.00 O +ATOM 1771 N CYS A 222 0.292 7.469 -9.729 1.00 0.00 N +ATOM 1772 CA CYS A 222 -0.129 6.492 -8.731 1.00 0.00 C +ATOM 1773 C CYS A 222 1.063 5.703 -8.204 1.00 0.00 C +ATOM 1774 CB CYS A 222 -1.165 5.535 -9.320 1.00 0.00 C +ATOM 1775 O CYS A 222 1.018 5.170 -7.094 1.00 0.00 O +ATOM 1776 SG CYS A 222 -2.664 6.356 -9.906 1.00 0.00 S +ATOM 1777 N CYS A 223 2.185 5.671 -8.968 1.00 0.00 N +ATOM 1778 CA CYS A 223 3.343 4.898 -8.531 1.00 0.00 C +ATOM 1779 C CYS A 223 4.560 5.796 -8.345 1.00 0.00 C +ATOM 1780 CB CYS A 223 3.661 3.794 -9.539 1.00 0.00 C +ATOM 1781 O CYS A 223 5.045 5.968 -7.226 1.00 0.00 O +ATOM 1782 SG CYS A 223 2.307 2.626 -9.792 1.00 0.00 S +ATOM 1783 N ILE A 224 5.020 6.544 -9.339 1.00 0.00 N +ATOM 1784 CA ILE A 224 6.297 7.250 -9.341 1.00 0.00 C +ATOM 1785 C ILE A 224 6.221 8.457 -8.408 1.00 0.00 C +ATOM 1786 CB ILE A 224 6.693 7.697 -10.766 1.00 0.00 C +ATOM 1787 O ILE A 224 7.111 8.666 -7.581 1.00 0.00 O +ATOM 1788 CG1 ILE A 224 6.928 6.476 -11.663 1.00 0.00 C +ATOM 1789 CG2 ILE A 224 7.933 8.595 -10.725 1.00 0.00 C +ATOM 1790 CD1 ILE A 224 7.190 6.822 -13.122 1.00 0.00 C +ATOM 1791 N LEU A 225 5.118 9.220 -8.481 1.00 0.00 N +ATOM 1792 CA LEU A 225 4.970 10.440 -7.694 1.00 0.00 C +ATOM 1793 C LEU A 225 4.848 10.116 -6.209 1.00 0.00 C +ATOM 1794 CB LEU A 225 3.746 11.233 -8.158 1.00 0.00 C +ATOM 1795 O LEU A 225 5.610 10.637 -5.391 1.00 0.00 O +ATOM 1796 CG LEU A 225 3.403 12.485 -7.351 1.00 0.00 C +ATOM 1797 CD1 LEU A 225 4.550 13.489 -7.416 1.00 0.00 C +ATOM 1798 CD2 LEU A 225 2.109 13.111 -7.857 1.00 0.00 C +ATOM 1799 N PRO A 226 3.976 9.151 -5.729 1.00 0.00 N +ATOM 1800 CA PRO A 226 3.962 8.759 -4.318 1.00 0.00 C +ATOM 1801 C PRO A 226 5.314 8.236 -3.838 1.00 0.00 C +ATOM 1802 CB PRO A 226 2.901 7.657 -4.268 1.00 0.00 C +ATOM 1803 O PRO A 226 5.793 8.637 -2.774 1.00 0.00 O +ATOM 1804 CG PRO A 226 1.945 7.997 -5.366 1.00 0.00 C +ATOM 1805 CD PRO A 226 2.727 8.543 -6.526 1.00 0.00 C +ATOM 1806 N LEU A 227 6.036 7.506 -4.645 1.00 0.00 N +ATOM 1807 CA LEU A 227 7.349 6.968 -4.306 1.00 0.00 C +ATOM 1808 C LEU A 227 8.373 8.088 -4.157 1.00 0.00 C +ATOM 1809 CB LEU A 227 7.813 5.975 -5.374 1.00 0.00 C +ATOM 1810 O LEU A 227 9.138 8.111 -3.190 1.00 0.00 O +ATOM 1811 CG LEU A 227 9.180 5.327 -5.149 1.00 0.00 C +ATOM 1812 CD1 LEU A 227 9.185 4.541 -3.842 1.00 0.00 C +ATOM 1813 CD2 LEU A 227 9.545 4.425 -6.323 1.00 0.00 C +ATOM 1814 N ALA A 228 8.354 8.959 -5.067 1.00 10.22 N +ATOM 1815 CA ALA A 228 9.251 10.111 -5.008 1.00 10.22 C +ATOM 1816 C ALA A 228 9.005 10.933 -3.746 1.00 10.22 C +ATOM 1817 CB ALA A 228 9.080 10.983 -6.249 1.00 10.22 C +ATOM 1818 O ALA A 228 9.945 11.268 -3.023 1.00 10.22 O +ATOM 1819 N VAL A 229 7.747 11.184 -3.379 1.00 0.00 N +ATOM 1820 CA VAL A 229 7.378 11.927 -2.178 1.00 0.00 C +ATOM 1821 C VAL A 229 7.819 11.155 -0.937 1.00 0.00 C +ATOM 1822 CB VAL A 229 5.859 12.200 -2.124 1.00 0.00 C +ATOM 1823 O VAL A 229 8.432 11.723 -0.030 1.00 0.00 O +ATOM 1824 CG1 VAL A 229 5.472 12.838 -0.791 1.00 0.00 C +ATOM 1825 CG2 VAL A 229 5.436 13.092 -3.290 1.00 0.00 C +ATOM 1826 N ILE A 230 7.600 9.846 -0.868 1.00 0.00 N +ATOM 1827 CA ILE A 230 8.019 8.983 0.231 1.00 0.00 C +ATOM 1828 C ILE A 230 9.536 9.049 0.390 1.00 0.00 C +ATOM 1829 CB ILE A 230 7.566 7.522 0.007 1.00 0.00 C +ATOM 1830 O ILE A 230 10.041 9.344 1.476 1.00 0.00 O +ATOM 1831 CG1 ILE A 230 6.049 7.400 0.187 1.00 0.00 C +ATOM 1832 CG2 ILE A 230 8.309 6.575 0.954 1.00 0.00 C +ATOM 1833 CD1 ILE A 230 5.463 6.105 -0.358 1.00 0.00 C +ATOM 1834 N ILE A 231 10.329 8.871 -0.680 1.00 0.00 N +ATOM 1835 CA ILE A 231 11.788 8.891 -0.670 1.00 0.00 C +ATOM 1836 C ILE A 231 12.282 10.262 -0.213 1.00 0.00 C +ATOM 1837 CB ILE A 231 12.367 8.548 -2.060 1.00 0.00 C +ATOM 1838 O ILE A 231 13.119 10.358 0.687 1.00 0.00 O +ATOM 1839 CG1 ILE A 231 12.145 7.065 -2.381 1.00 0.00 C +ATOM 1840 CG2 ILE A 231 13.855 8.905 -2.129 1.00 0.00 C +ATOM 1841 CD1 ILE A 231 12.384 6.705 -3.841 1.00 0.00 C +ATOM 1842 N ILE A 232 11.713 11.363 -0.731 1.00 0.00 N +ATOM 1843 CA ILE A 232 12.082 12.730 -0.381 1.00 0.00 C +ATOM 1844 C ILE A 232 11.783 12.984 1.094 1.00 0.00 C +ATOM 1845 CB ILE A 232 11.339 13.759 -1.263 1.00 0.00 C +ATOM 1846 O ILE A 232 12.645 13.463 1.835 1.00 0.00 O +ATOM 1847 CG1 ILE A 232 11.886 13.728 -2.695 1.00 0.00 C +ATOM 1848 CG2 ILE A 232 11.451 15.164 -0.664 1.00 0.00 C +ATOM 1849 CD1 ILE A 232 11.002 14.440 -3.710 1.00 0.00 C +ATOM 1850 N CYS A 233 10.610 12.630 1.610 1.00 0.00 N +ATOM 1851 CA CYS A 233 10.233 12.761 3.013 1.00 0.00 C +ATOM 1852 C CYS A 233 11.225 12.036 3.914 1.00 0.00 C +ATOM 1853 CB CYS A 233 8.825 12.211 3.243 1.00 0.00 C +ATOM 1854 O CYS A 233 11.709 12.604 4.895 1.00 0.00 O +ATOM 1855 SG CYS A 233 7.514 13.279 2.609 1.00 0.00 S +ATOM 1856 N TYR A 234 11.624 10.843 3.518 1.00 0.00 N +ATOM 1857 CA TYR A 234 12.490 10.034 4.368 1.00 0.00 C +ATOM 1858 C TYR A 234 13.933 10.520 4.295 1.00 0.00 C +ATOM 1859 CB TYR A 234 12.415 8.559 3.964 1.00 0.00 C +ATOM 1860 O TYR A 234 14.654 10.495 5.295 1.00 0.00 O +ATOM 1861 CG TYR A 234 11.240 7.824 4.562 1.00 0.00 C +ATOM 1862 CD1 TYR A 234 11.116 7.675 5.942 1.00 0.00 C +ATOM 1863 CD2 TYR A 234 10.253 7.277 3.751 1.00 0.00 C +ATOM 1864 CE1 TYR A 234 10.036 6.998 6.498 1.00 0.00 C +ATOM 1865 CE2 TYR A 234 9.168 6.597 4.296 1.00 0.00 C +ATOM 1866 OH TYR A 234 7.998 5.791 6.214 1.00 0.00 O +ATOM 1867 CZ TYR A 234 9.069 6.463 5.668 1.00 0.00 C +ATOM 1868 N ILE A 235 14.467 11.081 3.164 1.00 0.00 N +ATOM 1869 CA ILE A 235 15.757 11.755 3.063 1.00 0.00 C +ATOM 1870 C ILE A 235 15.790 12.952 4.010 1.00 0.00 C +ATOM 1871 CB ILE A 235 16.046 12.208 1.615 1.00 0.00 C +ATOM 1872 O ILE A 235 16.751 13.130 4.763 1.00 0.00 O +ATOM 1873 CG1 ILE A 235 16.341 10.996 0.724 1.00 0.00 C +ATOM 1874 CG2 ILE A 235 17.207 13.207 1.583 1.00 0.00 C +ATOM 1875 CD1 ILE A 235 16.331 11.306 -0.767 1.00 0.00 C +ATOM 1876 N PHE A 236 14.711 13.737 4.119 1.00 0.00 N +ATOM 1877 CA PHE A 236 14.638 14.894 5.003 1.00 0.00 C +ATOM 1878 C PHE A 236 14.567 14.458 6.461 1.00 0.00 C +ATOM 1879 CB PHE A 236 13.425 15.762 4.655 1.00 0.00 C +ATOM 1880 O PHE A 236 15.253 15.021 7.317 1.00 0.00 O +ATOM 1881 CG PHE A 236 13.642 16.660 3.467 1.00 0.00 C +ATOM 1882 CD1 PHE A 236 14.615 17.652 3.496 1.00 0.00 C +ATOM 1883 CD2 PHE A 236 12.872 16.512 2.320 1.00 0.00 C +ATOM 1884 CE1 PHE A 236 14.818 18.484 2.398 1.00 0.00 C +ATOM 1885 CE2 PHE A 236 13.069 17.341 1.219 1.00 0.00 C +ATOM 1886 CZ PHE A 236 14.042 18.327 1.260 1.00 0.00 C +ATOM 1887 N VAL A 237 13.778 13.392 6.813 1.00 0.00 N +ATOM 1888 CA VAL A 237 13.690 12.821 8.153 1.00 0.00 C +ATOM 1889 C VAL A 237 15.063 12.312 8.589 1.00 0.00 C +ATOM 1890 CB VAL A 237 12.653 11.677 8.217 1.00 0.00 C +ATOM 1891 O VAL A 237 15.536 12.640 9.680 1.00 0.00 O +ATOM 1892 CG1 VAL A 237 12.796 10.891 9.518 1.00 0.00 C +ATOM 1893 CG2 VAL A 237 11.237 12.234 8.078 1.00 0.00 C +ATOM 1894 N TRP A 238 15.742 11.580 7.759 1.00 0.00 N +ATOM 1895 CA TRP A 238 17.078 11.053 8.016 1.00 0.00 C +ATOM 1896 C TRP A 238 18.080 12.186 8.214 1.00 0.00 C +ATOM 1897 CB TRP A 238 17.531 10.150 6.865 1.00 0.00 C +ATOM 1898 O TRP A 238 18.804 12.215 9.213 1.00 0.00 O +ATOM 1899 CG TRP A 238 18.932 9.635 7.010 1.00 0.00 C +ATOM 1900 CD1 TRP A 238 19.351 8.599 7.798 1.00 0.00 C +ATOM 1901 CD2 TRP A 238 20.099 10.137 6.352 1.00 0.00 C +ATOM 1902 CE2 TRP A 238 21.192 9.356 6.788 1.00 0.00 C +ATOM 1903 CE3 TRP A 238 20.326 11.172 5.435 1.00 0.00 C +ATOM 1904 NE1 TRP A 238 20.710 8.426 7.668 1.00 0.00 N +ATOM 1905 CH2 TRP A 238 22.690 10.597 5.439 1.00 0.00 C +ATOM 1906 CZ2 TRP A 238 22.496 9.579 6.336 1.00 0.00 C +ATOM 1907 CZ3 TRP A 238 21.623 11.392 4.987 1.00 0.00 C +ATOM 1908 N SER A 239 18.160 13.240 7.346 1.00 3.90 N +ATOM 1909 CA SER A 239 19.041 14.401 7.429 1.00 3.90 C +ATOM 1910 C SER A 239 18.804 15.185 8.715 1.00 3.90 C +ATOM 1911 CB SER A 239 18.836 15.316 6.220 1.00 3.90 C +ATOM 1912 O SER A 239 19.755 15.608 9.375 1.00 3.90 O +ATOM 1913 OG SER A 239 19.116 14.626 5.014 1.00 3.90 O +ATOM 1914 N ALA A 240 17.544 15.377 9.148 1.00 0.00 N +ATOM 1915 CA ALA A 240 17.178 16.087 10.371 1.00 0.00 C +ATOM 1916 C ALA A 240 17.669 15.340 11.607 1.00 0.00 C +ATOM 1917 CB ALA A 240 15.666 16.286 10.438 1.00 0.00 C +ATOM 1918 O ALA A 240 18.307 15.928 12.483 1.00 0.00 O +ATOM 1919 N ILE A 241 17.439 14.032 11.664 1.00 0.00 N +ATOM 1920 CA ILE A 241 17.860 13.201 12.787 1.00 0.00 C +ATOM 1921 C ILE A 241 19.385 13.144 12.843 1.00 0.00 C +ATOM 1922 CB ILE A 241 17.274 11.775 12.686 1.00 0.00 C +ATOM 1923 O ILE A 241 19.979 13.297 13.913 1.00 0.00 O +ATOM 1924 CG1 ILE A 241 15.758 11.804 12.911 1.00 0.00 C +ATOM 1925 CG2 ILE A 241 17.958 10.838 13.685 1.00 0.00 C +ATOM 1926 CD1 ILE A 241 15.052 10.506 12.542 1.00 0.00 C +ATOM 1927 N HIS A 242 20.071 13.005 11.698 1.00 6.77 N +ATOM 1928 CA HIS A 242 21.526 12.993 11.597 1.00 6.77 C +ATOM 1929 C HIS A 242 22.121 14.317 12.061 1.00 6.77 C +ATOM 1930 CB HIS A 242 21.961 12.696 10.161 1.00 6.77 C +ATOM 1931 O HIS A 242 23.088 14.334 12.826 1.00 6.77 O +ATOM 1932 CG HIS A 242 23.438 12.527 10.004 1.00 6.77 C +ATOM 1933 CD2 HIS A 242 24.361 13.299 9.383 1.00 6.77 C +ATOM 1934 ND1 HIS A 242 24.123 11.449 10.522 1.00 6.77 N +ATOM 1935 CE1 HIS A 242 25.407 11.567 10.227 1.00 6.77 C +ATOM 1936 NE2 HIS A 242 25.577 12.681 9.536 1.00 6.77 N +ATOM 1937 N SER A 243 21.499 15.446 11.761 1.00 0.00 N +ATOM 1938 CA SER A 243 21.916 16.770 12.211 1.00 0.00 C +ATOM 1939 C SER A 243 21.786 16.906 13.725 1.00 0.00 C +ATOM 1940 CB SER A 243 21.089 17.856 11.521 1.00 0.00 C +ATOM 1941 O SER A 243 22.708 17.379 14.392 1.00 0.00 O +ATOM 1942 OG SER A 243 21.547 19.146 11.888 1.00 0.00 O +ATOM 1943 N VAL A 244 20.680 16.401 14.367 1.00 0.00 N +ATOM 1944 CA VAL A 244 20.457 16.413 15.809 1.00 0.00 C +ATOM 1945 C VAL A 244 21.450 15.476 16.494 1.00 0.00 C +ATOM 1946 CB VAL A 244 19.009 16.005 16.163 1.00 0.00 C +ATOM 1947 O VAL A 244 22.063 15.840 17.501 1.00 0.00 O +ATOM 1948 CG1 VAL A 244 18.853 15.821 17.672 1.00 0.00 C +ATOM 1949 CG2 VAL A 244 18.020 17.047 15.644 1.00 0.00 C +ATOM 1950 N ALA A 245 21.738 14.317 15.889 1.00 0.00 N +ATOM 1951 CA ALA A 245 22.677 13.334 16.424 1.00 0.00 C +ATOM 1952 C ALA A 245 24.105 13.871 16.401 1.00 0.00 C +ATOM 1953 CB ALA A 245 22.589 12.030 15.635 1.00 0.00 C +ATOM 1954 O ALA A 245 24.891 13.602 17.313 1.00 0.00 O +ATOM 1955 N GLN A 246 24.508 14.714 15.451 1.00 0.00 N +ATOM 1956 CA GLN A 246 25.819 15.347 15.359 1.00 0.00 C +ATOM 1957 C GLN A 246 25.979 16.436 16.415 1.00 0.00 C +ATOM 1958 CB GLN A 246 26.036 15.934 13.963 1.00 0.00 C +ATOM 1959 O GLN A 246 27.073 16.638 16.945 1.00 0.00 O +ATOM 1960 CG GLN A 246 26.395 14.895 12.908 1.00 0.00 C +ATOM 1961 CD GLN A 246 26.631 15.506 11.540 1.00 0.00 C +ATOM 1962 NE2 GLN A 246 27.092 14.690 10.598 1.00 0.00 N +ATOM 1963 OE1 GLN A 246 26.401 16.701 11.331 1.00 0.00 O +ATOM 1964 N GLN A 247 24.840 17.101 16.809 1.00 0.00 N +ATOM 1965 CA GLN A 247 24.848 18.151 17.823 1.00 0.00 C +ATOM 1966 C GLN A 247 24.867 17.558 19.229 1.00 0.00 C +ATOM 1967 CB GLN A 247 23.635 19.067 17.657 1.00 0.00 C +ATOM 1968 O GLN A 247 25.438 18.147 20.149 1.00 0.00 O +ATOM 1969 CG GLN A 247 23.690 19.940 16.410 1.00 0.00 C +ATOM 1970 CD GLN A 247 22.407 20.716 16.180 1.00 0.00 C +ATOM 1971 NE2 GLN A 247 22.370 21.497 15.105 1.00 0.00 N +ATOM 1972 OE1 GLN A 247 21.455 20.614 16.961 1.00 0.00 O +ATOM 1973 N GLN A 248 24.294 16.314 19.380 1.00 0.00 N +ATOM 1974 CA GLN A 248 24.134 15.669 20.679 1.00 0.00 C +ATOM 1975 C GLN A 248 24.876 14.337 20.727 1.00 0.00 C +ATOM 1976 CB GLN A 248 22.652 15.456 20.994 1.00 0.00 C +ATOM 1977 O GLN A 248 24.318 13.324 21.152 1.00 0.00 O +ATOM 1978 CG GLN A 248 21.873 16.749 21.190 1.00 0.00 C +ATOM 1979 CD GLN A 248 20.433 16.510 21.605 1.00 0.00 C +ATOM 1980 NE2 GLN A 248 19.784 17.549 22.119 1.00 0.00 N +ATOM 1981 OE1 GLN A 248 19.909 15.401 21.464 1.00 0.00 O +ATOM 1982 N LYS A 249 26.131 14.314 20.365 1.00 0.00 N +ATOM 1983 CA LYS A 249 26.966 13.138 20.136 1.00 0.00 C +ATOM 1984 C LYS A 249 27.011 12.247 21.374 1.00 0.00 C +ATOM 1985 CB LYS A 249 28.382 13.554 19.738 1.00 0.00 C +ATOM 1986 O LYS A 249 27.165 11.029 21.263 1.00 0.00 O +ATOM 1987 CG LYS A 249 28.508 14.018 18.294 1.00 0.00 C +ATOM 1988 CD LYS A 249 29.956 14.319 17.928 1.00 0.00 C +ATOM 1989 CE LYS A 249 30.091 14.724 16.466 1.00 0.00 C +ATOM 1990 NZ LYS A 249 31.509 15.021 16.103 1.00 0.00 N +ATOM 1991 N ASP A 250 26.766 12.903 22.555 1.00 0.00 N +ATOM 1992 CA ASP A 250 26.946 12.212 23.828 1.00 0.00 C +ATOM 1993 C ASP A 250 25.630 11.616 24.321 1.00 0.00 C +ATOM 1994 CB ASP A 250 27.518 13.165 24.880 1.00 0.00 C +ATOM 1995 O ASP A 250 25.607 10.878 25.308 1.00 0.00 O +ATOM 1996 CG ASP A 250 28.852 13.766 24.473 1.00 0.00 C +ATOM 1997 OD1 ASP A 250 29.658 13.073 23.814 1.00 0.00 O +ATOM 1998 OD2 ASP A 250 29.102 14.941 24.816 1.00 0.00 O +ATOM 1999 N SER A 251 24.629 11.860 23.597 1.00 0.00 N +ATOM 2000 CA SER A 251 23.334 11.331 24.015 1.00 0.00 C +ATOM 2001 C SER A 251 23.048 9.985 23.357 1.00 0.00 C +ATOM 2002 CB SER A 251 22.217 12.319 23.679 1.00 0.00 C +ATOM 2003 O SER A 251 22.601 9.932 22.210 1.00 0.00 O +ATOM 2004 OG SER A 251 20.966 11.840 24.139 1.00 0.00 O +ATOM 2005 N GLU A 252 23.277 8.859 24.069 1.00 0.00 N +ATOM 2006 CA GLU A 252 22.967 7.490 23.671 1.00 0.00 C +ATOM 2007 C GLU A 252 21.517 7.363 23.213 1.00 0.00 C +ATOM 2008 CB GLU A 252 23.242 6.519 24.823 1.00 0.00 C +ATOM 2009 O GLU A 252 21.221 6.629 22.267 1.00 0.00 O +ATOM 2010 CG GLU A 252 23.168 5.053 24.422 1.00 0.00 C +ATOM 2011 CD GLU A 252 23.349 4.101 25.594 1.00 0.00 C +ATOM 2012 OE1 GLU A 252 23.698 4.564 26.704 1.00 0.00 O +ATOM 2013 OE2 GLU A 252 23.141 2.883 25.401 1.00 0.00 O +ATOM 2014 N SER A 253 20.607 8.054 23.802 1.00 0.00 N +ATOM 2015 CA SER A 253 19.186 8.070 23.471 1.00 0.00 C +ATOM 2016 C SER A 253 18.952 8.597 22.059 1.00 0.00 C +ATOM 2017 CB SER A 253 18.411 8.922 24.477 1.00 0.00 C +ATOM 2018 O SER A 253 18.177 8.017 21.296 1.00 0.00 O +ATOM 2019 OG SER A 253 18.852 10.269 24.440 1.00 0.00 O +ATOM 2020 N THR A 254 19.668 9.646 21.645 1.00 0.00 N +ATOM 2021 CA THR A 254 19.555 10.243 20.319 1.00 0.00 C +ATOM 2022 C THR A 254 20.106 9.301 19.253 1.00 0.00 C +ATOM 2023 CB THR A 254 20.296 11.591 20.248 1.00 0.00 C +ATOM 2024 O THR A 254 19.448 9.045 18.242 1.00 0.00 O +ATOM 2025 CG2 THR A 254 20.120 12.245 18.882 1.00 0.00 C +ATOM 2026 OG1 THR A 254 19.777 12.468 21.256 1.00 0.00 O +ATOM 2027 N GLN A 255 21.313 8.687 19.558 1.00 0.00 N +ATOM 2028 CA GLN A 255 21.896 7.718 18.637 1.00 0.00 C +ATOM 2029 C GLN A 255 20.977 6.514 18.451 1.00 0.00 C +ATOM 2030 CB GLN A 255 23.267 7.259 19.136 1.00 0.00 C +ATOM 2031 O GLN A 255 20.826 6.008 17.337 1.00 0.00 O +ATOM 2032 CG GLN A 255 24.325 8.354 19.121 1.00 0.00 C +ATOM 2033 CD GLN A 255 25.697 7.851 19.529 1.00 0.00 C +ATOM 2034 NE2 GLN A 255 26.619 8.776 19.775 1.00 0.00 N +ATOM 2035 OE1 GLN A 255 25.926 6.641 19.622 1.00 0.00 O +ATOM 2036 N LYS A 256 20.335 6.086 19.491 1.00 0.00 N +ATOM 2037 CA LYS A 256 19.371 4.991 19.430 1.00 0.00 C +ATOM 2038 C LYS A 256 18.141 5.387 18.618 1.00 0.00 C +ATOM 2039 CB LYS A 256 18.954 4.564 20.839 1.00 0.00 C +ATOM 2040 O LYS A 256 17.691 4.630 17.755 1.00 0.00 O +ATOM 2041 CG LYS A 256 18.006 3.374 20.869 1.00 0.00 C +ATOM 2042 CD LYS A 256 17.692 2.946 22.297 1.00 0.00 C +ATOM 2043 CE LYS A 256 16.742 1.757 22.329 1.00 0.00 C +ATOM 2044 NZ LYS A 256 16.445 1.323 23.727 1.00 0.00 N +ATOM 2045 N ALA A 257 17.631 6.530 18.797 1.00 0.00 N +ATOM 2046 CA ALA A 257 16.496 7.035 18.027 1.00 0.00 C +ATOM 2047 C ALA A 257 16.849 7.158 16.548 1.00 0.00 C +ATOM 2048 CB ALA A 257 16.038 8.383 18.576 1.00 0.00 C +ATOM 2049 O ALA A 257 16.088 6.717 15.683 1.00 0.00 O +ATOM 2050 N GLU A 258 18.054 7.638 16.236 1.00 0.00 N +ATOM 2051 CA GLU A 258 18.559 7.724 14.869 1.00 0.00 C +ATOM 2052 C GLU A 258 18.614 6.347 14.214 1.00 0.00 C +ATOM 2053 CB GLU A 258 19.946 8.372 14.847 1.00 0.00 C +ATOM 2054 O GLU A 258 18.066 6.147 13.128 1.00 0.00 O +ATOM 2055 CG GLU A 258 20.477 8.641 13.446 1.00 0.00 C +ATOM 2056 CD GLU A 258 21.904 9.165 13.437 1.00 0.00 C +ATOM 2057 OE1 GLU A 258 22.476 9.389 14.528 1.00 0.00 O +ATOM 2058 OE2 GLU A 258 22.455 9.354 12.329 1.00 0.00 O +ATOM 2059 N ARG A 259 19.125 5.390 14.864 1.00 0.00 N +ATOM 2060 CA ARG A 259 19.253 4.030 14.351 1.00 0.00 C +ATOM 2061 C ARG A 259 17.884 3.401 14.117 1.00 0.00 C +ATOM 2062 CB ARG A 259 20.069 3.166 15.314 1.00 0.00 C +ATOM 2063 O ARG A 259 17.672 2.716 13.115 1.00 0.00 O +ATOM 2064 CG ARG A 259 21.562 3.453 15.286 1.00 0.00 C +ATOM 2065 CD ARG A 259 22.313 2.637 16.329 1.00 0.00 C +ATOM 2066 NE ARG A 259 23.696 3.083 16.469 1.00 0.00 N +ATOM 2067 NH1 ARG A 259 24.235 1.568 18.127 1.00 0.00 N +ATOM 2068 NH2 ARG A 259 25.811 3.047 17.363 1.00 0.00 N +ATOM 2069 CZ ARG A 259 24.578 2.565 17.319 1.00 0.00 C +ATOM 2070 N GLU A 260 16.938 3.654 14.996 1.00 0.00 N +ATOM 2071 CA GLU A 260 15.593 3.103 14.870 1.00 0.00 C +ATOM 2072 C GLU A 260 14.851 3.722 13.688 1.00 0.00 C +ATOM 2073 CB GLU A 260 14.799 3.320 16.161 1.00 0.00 C +ATOM 2074 O GLU A 260 14.261 3.007 12.876 1.00 0.00 O +ATOM 2075 CG GLU A 260 15.179 2.366 17.284 1.00 0.00 C +ATOM 2076 CD GLU A 260 14.288 2.497 18.509 1.00 0.00 C +ATOM 2077 OE1 GLU A 260 13.501 3.467 18.587 1.00 0.00 O +ATOM 2078 OE2 GLU A 260 14.379 1.623 19.400 1.00 0.00 O +ATOM 2079 N VAL A 261 14.973 4.956 13.468 1.00 0.00 N +ATOM 2080 CA VAL A 261 14.320 5.654 12.365 1.00 0.00 C +ATOM 2081 C VAL A 261 15.009 5.301 11.049 1.00 0.00 C +ATOM 2082 CB VAL A 261 14.328 7.184 12.578 1.00 0.00 C +ATOM 2083 O VAL A 261 14.346 4.966 10.065 1.00 0.00 O +ATOM 2084 CG1 VAL A 261 13.812 7.905 11.335 1.00 0.00 C +ATOM 2085 CG2 VAL A 261 13.492 7.556 13.801 1.00 0.00 C +ATOM 2086 N THR A 262 16.341 5.345 11.026 1.00 0.00 N +ATOM 2087 CA THR A 262 17.092 4.920 9.850 1.00 0.00 C +ATOM 2088 C THR A 262 16.697 3.504 9.439 1.00 0.00 C +ATOM 2089 CB THR A 262 18.609 4.979 10.104 1.00 0.00 C +ATOM 2090 O THR A 262 16.379 3.256 8.274 1.00 0.00 O +ATOM 2091 CG2 THR A 262 19.391 4.526 8.875 1.00 0.00 C +ATOM 2092 OG1 THR A 262 18.982 6.325 10.423 1.00 0.00 O +ATOM 2093 N ARG A 263 16.707 2.657 10.377 1.00 0.00 N +ATOM 2094 CA ARG A 263 16.275 1.284 10.137 1.00 0.00 C +ATOM 2095 C ARG A 263 14.849 1.245 9.599 1.00 0.00 C +ATOM 2096 CB ARG A 263 16.373 0.457 11.421 1.00 0.00 C +ATOM 2097 O ARG A 263 14.555 0.505 8.657 1.00 0.00 O +ATOM 2098 CG ARG A 263 16.020 -1.011 11.236 1.00 0.00 C +ATOM 2099 CD ARG A 263 16.140 -1.788 12.540 1.00 0.00 C +ATOM 2100 NE ARG A 263 15.719 -3.177 12.380 1.00 0.00 N +ATOM 2101 NH1 ARG A 263 16.023 -3.741 14.600 1.00 0.00 N +ATOM 2102 NH2 ARG A 263 15.275 -5.310 13.106 1.00 0.00 N +ATOM 2103 CZ ARG A 263 15.673 -4.073 13.362 1.00 0.00 C +ATOM 2104 N MET A 264 13.950 2.037 10.097 1.00 0.00 N +ATOM 2105 CA MET A 264 12.564 2.137 9.647 1.00 0.00 C +ATOM 2106 C MET A 264 12.495 2.602 8.196 1.00 0.00 C +ATOM 2107 CB MET A 264 11.776 3.095 10.542 1.00 0.00 C +ATOM 2108 O MET A 264 11.813 1.988 7.375 1.00 0.00 O +ATOM 2109 CG MET A 264 10.300 3.186 10.192 1.00 0.00 C +ATOM 2110 SD MET A 264 9.397 4.380 11.253 1.00 0.00 S +ATOM 2111 CE MET A 264 10.069 5.942 10.620 1.00 0.00 C +ATOM 2112 N VAL A 265 13.187 3.585 7.854 1.00 0.00 N +ATOM 2113 CA VAL A 265 13.237 4.142 6.507 1.00 0.00 C +ATOM 2114 C VAL A 265 13.746 3.085 5.529 1.00 0.00 C +ATOM 2115 CB VAL A 265 14.133 5.399 6.445 1.00 0.00 C +ATOM 2116 O VAL A 265 13.108 2.816 4.508 1.00 0.00 O +ATOM 2117 CG1 VAL A 265 14.343 5.843 4.999 1.00 0.00 C +ATOM 2118 CG2 VAL A 265 13.522 6.530 7.271 1.00 0.00 C +ATOM 2119 N ILE A 266 14.831 2.457 5.866 1.00 4.60 N +ATOM 2120 CA ILE A 266 15.439 1.446 5.008 1.00 4.60 C +ATOM 2121 C ILE A 266 14.459 0.294 4.794 1.00 4.60 C +ATOM 2122 CB ILE A 266 16.763 0.920 5.605 1.00 4.60 C +ATOM 2123 O ILE A 266 14.204 -0.109 3.657 1.00 4.60 O +ATOM 2124 CG1 ILE A 266 17.847 2.001 5.535 1.00 4.60 C +ATOM 2125 CG2 ILE A 266 17.212 -0.354 4.882 1.00 4.60 C +ATOM 2126 CD1 ILE A 266 19.083 1.694 6.369 1.00 4.60 C +ATOM 2127 N VAL A 267 13.780 -0.174 5.838 1.00 0.00 N +ATOM 2128 CA VAL A 267 12.845 -1.291 5.750 1.00 0.00 C +ATOM 2129 C VAL A 267 11.642 -0.892 4.899 1.00 0.00 C +ATOM 2130 CB VAL A 267 12.378 -1.751 7.150 1.00 0.00 C +ATOM 2131 O VAL A 267 11.202 -1.657 4.038 1.00 0.00 O +ATOM 2132 CG1 VAL A 267 11.200 -2.716 7.035 1.00 0.00 C +ATOM 2133 CG2 VAL A 267 13.533 -2.401 7.910 1.00 0.00 C +ATOM 2134 N MET A 268 11.120 0.298 4.981 1.00 0.00 N +ATOM 2135 CA MET A 268 9.979 0.785 4.212 1.00 0.00 C +ATOM 2136 C MET A 268 10.340 0.936 2.738 1.00 0.00 C +ATOM 2137 CB MET A 268 9.485 2.122 4.769 1.00 0.00 C +ATOM 2138 O MET A 268 9.611 0.463 1.864 1.00 0.00 O +ATOM 2139 CG MET A 268 8.718 1.996 6.074 1.00 0.00 C +ATOM 2140 SD MET A 268 7.996 3.591 6.622 1.00 0.00 S +ATOM 2141 CE MET A 268 6.963 3.019 8.000 1.00 0.00 C +ATOM 2142 N VAL A 269 11.467 1.560 2.452 1.00 0.00 N +ATOM 2143 CA VAL A 269 11.920 1.762 1.079 1.00 0.00 C +ATOM 2144 C VAL A 269 12.194 0.412 0.421 1.00 0.00 C +ATOM 2145 CB VAL A 269 13.184 2.649 1.023 1.00 0.00 C +ATOM 2146 O VAL A 269 11.731 0.151 -0.691 1.00 0.00 O +ATOM 2147 CG1 VAL A 269 13.782 2.648 -0.383 1.00 0.00 C +ATOM 2148 CG2 VAL A 269 12.857 4.073 1.467 1.00 0.00 C +ATOM 2149 N VAL A 270 12.853 -0.507 1.144 1.00 0.30 N +ATOM 2150 CA VAL A 270 13.158 -1.842 0.639 1.00 0.30 C +ATOM 2151 C VAL A 270 11.863 -2.618 0.413 1.00 0.30 C +ATOM 2152 CB VAL A 270 14.082 -2.617 1.606 1.00 0.30 C +ATOM 2153 O VAL A 270 11.661 -3.203 -0.654 1.00 0.30 O +ATOM 2154 CG1 VAL A 270 14.151 -4.093 1.220 1.00 0.30 C +ATOM 2155 CG2 VAL A 270 15.478 -1.999 1.620 1.00 0.30 C +ATOM 2156 N ALA A 271 10.924 -2.604 1.354 1.00 0.00 N +ATOM 2157 CA ALA A 271 9.626 -3.262 1.221 1.00 0.00 C +ATOM 2158 C ALA A 271 8.848 -2.704 0.033 1.00 0.00 C +ATOM 2159 CB ALA A 271 8.816 -3.104 2.505 1.00 0.00 C +ATOM 2160 O ALA A 271 8.313 -3.464 -0.778 1.00 0.00 O +ATOM 2161 N PHE A 272 8.880 -1.480 -0.146 1.00 70.06 N +ATOM 2162 CA PHE A 272 8.222 -0.820 -1.268 1.00 70.06 C +ATOM 2163 C PHE A 272 8.864 -1.227 -2.588 1.00 70.06 C +ATOM 2164 CB PHE A 272 8.277 0.703 -1.105 1.00 70.06 C +ATOM 2165 O PHE A 272 8.167 -1.609 -3.531 1.00 70.06 O +ATOM 2166 CG PHE A 272 7.467 1.453 -2.127 1.00 70.06 C +ATOM 2167 CD1 PHE A 272 6.152 1.814 -1.863 1.00 70.06 C +ATOM 2168 CD2 PHE A 272 8.022 1.796 -3.353 1.00 70.06 C +ATOM 2169 CE1 PHE A 272 5.400 2.509 -2.808 1.00 70.06 C +ATOM 2170 CE2 PHE A 272 7.277 2.490 -4.302 1.00 70.06 C +ATOM 2171 CZ PHE A 272 5.965 2.844 -4.028 1.00 70.06 C +ATOM 2172 N VAL A 273 10.173 -1.115 -2.747 1.00 0.00 N +ATOM 2173 CA VAL A 273 10.901 -1.462 -3.964 1.00 0.00 C +ATOM 2174 C VAL A 273 10.673 -2.933 -4.301 1.00 0.00 C +ATOM 2175 CB VAL A 273 12.413 -1.175 -3.821 1.00 0.00 C +ATOM 2176 O VAL A 273 10.461 -3.285 -5.464 1.00 0.00 O +ATOM 2177 CG1 VAL A 273 13.186 -1.758 -5.002 1.00 0.00 C +ATOM 2178 CG2 VAL A 273 12.662 0.328 -3.705 1.00 0.00 C +ATOM 2179 N ILE A 274 10.627 -3.819 -3.309 1.00 0.00 N +ATOM 2180 CA ILE A 274 10.404 -5.247 -3.510 1.00 0.00 C +ATOM 2181 C ILE A 274 8.965 -5.485 -3.962 1.00 0.00 C +ATOM 2182 CB ILE A 274 10.703 -6.052 -2.226 1.00 0.00 C +ATOM 2183 O ILE A 274 8.716 -6.286 -4.867 1.00 0.00 O +ATOM 2184 CG1 ILE A 274 12.213 -6.095 -1.962 1.00 0.00 C +ATOM 2185 CG2 ILE A 274 10.125 -7.467 -2.329 1.00 0.00 C +ATOM 2186 CD1 ILE A 274 12.588 -6.685 -0.610 1.00 0.00 C +ATOM 2187 N CYS A 275 7.969 -4.763 -3.469 1.00 0.00 N +ATOM 2188 CA CYS A 275 6.554 -5.021 -3.715 1.00 0.00 C +ATOM 2189 C CYS A 275 6.090 -4.339 -4.997 1.00 0.00 C +ATOM 2190 CB CYS A 275 5.709 -4.540 -2.536 1.00 0.00 C +ATOM 2191 O CYS A 275 5.420 -4.957 -5.826 1.00 0.00 O +ATOM 2192 SG CYS A 275 5.981 -5.477 -1.016 1.00 0.00 S +ATOM 2193 N TRP A 276 6.557 -3.109 -5.206 1.00 0.00 N +ATOM 2194 CA TRP A 276 5.997 -2.271 -6.262 1.00 0.00 C +ATOM 2195 C TRP A 276 6.994 -2.094 -7.402 1.00 0.00 C +ATOM 2196 CB TRP A 276 5.592 -0.903 -5.705 1.00 0.00 C +ATOM 2197 O TRP A 276 6.605 -1.797 -8.534 1.00 0.00 O +ATOM 2198 CG TRP A 276 4.345 -0.930 -4.873 1.00 0.00 C +ATOM 2199 CD1 TRP A 276 4.265 -0.980 -3.509 1.00 0.00 C +ATOM 2200 CD2 TRP A 276 2.997 -0.913 -5.354 1.00 0.00 C +ATOM 2201 CE2 TRP A 276 2.150 -0.954 -4.224 1.00 0.00 C +ATOM 2202 CE3 TRP A 276 2.423 -0.866 -6.631 1.00 0.00 C +ATOM 2203 NE1 TRP A 276 2.947 -0.995 -3.112 1.00 0.00 N +ATOM 2204 CH2 TRP A 276 0.222 -0.903 -5.596 1.00 0.00 C +ATOM 2205 CZ2 TRP A 276 0.757 -0.949 -4.335 1.00 0.00 C +ATOM 2206 CZ3 TRP A 276 1.037 -0.861 -6.739 1.00 0.00 C +ATOM 2207 N GLY A 277 8.331 -2.293 -7.154 1.00 0.00 N +ATOM 2208 CA GLY A 277 9.377 -2.173 -8.157 1.00 0.00 C +ATOM 2209 C GLY A 277 9.163 -3.080 -9.354 1.00 0.00 C +ATOM 2210 O GLY A 277 9.139 -2.615 -10.495 1.00 0.00 O +ATOM 2211 N PRO A 278 8.877 -4.416 -9.104 1.00 0.00 N +ATOM 2212 CA PRO A 278 8.592 -5.307 -10.232 1.00 0.00 C +ATOM 2213 C PRO A 278 7.353 -4.885 -11.017 1.00 0.00 C +ATOM 2214 CB PRO A 278 8.379 -6.667 -9.562 1.00 0.00 C +ATOM 2215 O PRO A 278 7.367 -4.892 -12.251 1.00 0.00 O +ATOM 2216 CG PRO A 278 9.202 -6.612 -8.316 1.00 0.00 C +ATOM 2217 CD PRO A 278 9.098 -5.231 -7.736 1.00 0.00 C +ATOM 2218 N TYR A 279 6.277 -4.489 -10.338 1.00 0.00 N +ATOM 2219 CA TYR A 279 5.046 -4.009 -10.956 1.00 0.00 C +ATOM 2220 C TYR A 279 5.302 -2.747 -11.772 1.00 0.00 C +ATOM 2221 CB TYR A 279 3.981 -3.734 -9.891 1.00 0.00 C +ATOM 2222 O TYR A 279 4.943 -2.678 -12.950 1.00 0.00 O +ATOM 2223 CG TYR A 279 2.648 -3.313 -10.460 1.00 0.00 C +ATOM 2224 CD1 TYR A 279 1.736 -4.259 -10.924 1.00 0.00 C +ATOM 2225 CD2 TYR A 279 2.297 -1.969 -10.536 1.00 0.00 C +ATOM 2226 CE1 TYR A 279 0.507 -3.875 -11.451 1.00 0.00 C +ATOM 2227 CE2 TYR A 279 1.072 -1.574 -11.061 1.00 0.00 C +ATOM 2228 OH TYR A 279 -1.031 -2.147 -12.036 1.00 0.00 O +ATOM 2229 CZ TYR A 279 0.184 -2.533 -11.515 1.00 0.00 C +ATOM 2230 N ALA A 280 5.980 -1.737 -11.238 1.00100.00 N +ATOM 2231 CA ALA A 280 6.307 -0.484 -11.914 1.00100.00 C +ATOM 2232 C ALA A 280 7.216 -0.729 -13.114 1.00100.00 C +ATOM 2233 CB ALA A 280 6.967 0.489 -10.940 1.00100.00 C +ATOM 2234 O ALA A 280 6.989 -0.181 -14.195 1.00100.00 O +ATOM 2235 N THR A 281 8.276 -1.599 -12.958 1.00 1.64 N +ATOM 2236 CA THR A 281 9.178 -1.974 -14.040 1.00 1.64 C +ATOM 2237 C THR A 281 8.413 -2.659 -15.169 1.00 1.64 C +ATOM 2238 CB THR A 281 10.298 -2.904 -13.537 1.00 1.64 C +ATOM 2239 O THR A 281 8.544 -2.279 -16.335 1.00 1.64 O +ATOM 2240 CG2 THR A 281 11.274 -3.246 -14.658 1.00 1.64 C +ATOM 2241 OG1 THR A 281 11.011 -2.254 -12.478 1.00 1.64 O +ATOM 2242 N PHE A 282 7.590 -3.566 -14.796 1.00 0.00 N +ATOM 2243 CA PHE A 282 6.804 -4.305 -15.777 1.00 0.00 C +ATOM 2244 C PHE A 282 5.812 -3.385 -16.479 1.00 0.00 C +ATOM 2245 CB PHE A 282 6.061 -5.466 -15.109 1.00 0.00 C +ATOM 2246 O PHE A 282 5.708 -3.397 -17.708 1.00 0.00 O +ATOM 2247 CG PHE A 282 5.243 -6.293 -16.063 1.00 0.00 C +ATOM 2248 CD1 PHE A 282 5.819 -7.350 -16.758 1.00 0.00 C +ATOM 2249 CD2 PHE A 282 3.898 -6.014 -16.266 1.00 0.00 C +ATOM 2250 CE1 PHE A 282 5.064 -8.117 -17.642 1.00 0.00 C +ATOM 2251 CE2 PHE A 282 3.138 -6.776 -17.148 1.00 0.00 C +ATOM 2252 CZ PHE A 282 3.723 -7.827 -17.836 1.00 0.00 C +ATOM 2253 N ALA A 283 5.065 -2.561 -15.772 1.00 0.00 N +ATOM 2254 CA ALA A 283 4.110 -1.605 -16.328 1.00 0.00 C +ATOM 2255 C ALA A 283 4.807 -0.607 -17.249 1.00 0.00 C +ATOM 2256 CB ALA A 283 3.379 -0.870 -15.207 1.00 0.00 C +ATOM 2257 O ALA A 283 4.342 -0.351 -18.362 1.00 0.00 O +ATOM 2258 N THR A 284 5.975 -0.060 -16.917 1.00 0.00 N +ATOM 2259 CA THR A 284 6.784 0.846 -17.724 1.00 0.00 C +ATOM 2260 C THR A 284 7.259 0.156 -19.000 1.00 0.00 C +ATOM 2261 CB THR A 284 8.000 1.364 -16.934 1.00 0.00 C +ATOM 2262 O THR A 284 7.100 0.693 -20.098 1.00 0.00 O +ATOM 2263 CG2 THR A 284 8.810 2.358 -17.760 1.00 0.00 C +ATOM 2264 OG1 THR A 284 7.545 2.010 -15.739 1.00 0.00 O +ATOM 2265 N PHE A 285 7.783 -1.033 -18.836 1.00 0.00 N +ATOM 2266 CA PHE A 285 8.271 -1.782 -19.988 1.00 0.00 C +ATOM 2267 C PHE A 285 7.131 -2.102 -20.948 1.00 0.00 C +ATOM 2268 CB PHE A 285 8.958 -3.076 -19.538 1.00 0.00 C +ATOM 2269 O PHE A 285 7.255 -1.897 -22.157 1.00 0.00 O +ATOM 2270 CG PHE A 285 9.622 -3.831 -20.657 1.00 0.00 C +ATOM 2271 CD1 PHE A 285 10.967 -3.634 -20.945 1.00 0.00 C +ATOM 2272 CD2 PHE A 285 8.901 -4.739 -21.422 1.00 0.00 C +ATOM 2273 CE1 PHE A 285 11.585 -4.332 -21.980 1.00 0.00 C +ATOM 2274 CE2 PHE A 285 9.512 -5.440 -22.458 1.00 0.00 C +ATOM 2275 CZ PHE A 285 10.853 -5.234 -22.736 1.00 0.00 C +ATOM 2276 N SER A 286 5.926 -2.517 -20.477 1.00 8.24 N +ATOM 2277 CA SER A 286 4.741 -2.803 -21.279 1.00 8.24 C +ATOM 2278 C SER A 286 4.230 -1.546 -21.977 1.00 8.24 C +ATOM 2279 CB SER A 286 3.634 -3.398 -20.408 1.00 8.24 C +ATOM 2280 O SER A 286 3.884 -1.584 -23.159 1.00 8.24 O +ATOM 2281 OG SER A 286 4.053 -4.622 -19.830 1.00 8.24 O +ATOM 2282 N ALA A 287 4.312 -0.381 -21.318 1.00 2.13 N +ATOM 2283 CA ALA A 287 3.908 0.909 -21.871 1.00 2.13 C +ATOM 2284 C ALA A 287 4.879 1.370 -22.954 1.00 2.13 C +ATOM 2285 CB ALA A 287 3.814 1.957 -20.764 1.00 2.13 C +ATOM 2286 O ALA A 287 4.466 1.944 -23.964 1.00 2.13 O +ATOM 2287 N CYS A 288 6.190 1.025 -22.875 1.00 0.09 N +ATOM 2288 CA CYS A 288 7.244 1.440 -23.795 1.00 0.09 C +ATOM 2289 C CYS A 288 7.356 0.472 -24.967 1.00 0.09 C +ATOM 2290 CB CYS A 288 8.585 1.532 -23.068 1.00 0.09 C +ATOM 2291 O CYS A 288 7.797 0.854 -26.053 1.00 0.09 O +ATOM 2292 SG CYS A 288 8.671 2.881 -21.869 1.00 0.09 S +ATOM 2293 N ASN A 289 6.940 -0.735 -24.814 1.00 2.13 N +ATOM 2294 CA ASN A 289 7.069 -1.779 -25.825 1.00 2.13 C +ATOM 2295 C ASN A 289 5.723 -2.430 -26.133 1.00 2.13 C +ATOM 2296 CB ASN A 289 8.081 -2.836 -25.379 1.00 2.13 C +ATOM 2297 O ASN A 289 5.531 -3.619 -25.873 1.00 2.13 O +ATOM 2298 CG ASN A 289 9.464 -2.260 -25.148 1.00 2.13 C +ATOM 2299 ND2 ASN A 289 9.731 -1.834 -23.919 1.00 2.13 N +ATOM 2300 OD1 ASN A 289 10.285 -2.197 -26.066 1.00 2.13 O +ATOM 2301 N PRO A 290 4.847 -1.527 -26.662 1.00 0.00 N +ATOM 2302 CA PRO A 290 3.575 -2.114 -27.091 1.00 0.00 C +ATOM 2303 C PRO A 290 3.756 -3.211 -28.139 1.00 0.00 C +ATOM 2304 CB PRO A 290 2.815 -0.921 -27.676 1.00 0.00 C +ATOM 2305 O PRO A 290 4.596 -3.083 -29.033 1.00 0.00 O +ATOM 2306 CG PRO A 290 3.879 -0.009 -28.198 1.00 0.00 C +ATOM 2307 CD PRO A 290 5.091 -0.140 -27.321 1.00 0.00 C +ATOM 2308 N GLY A 291 3.377 -4.333 -28.065 1.00 0.00 N +ATOM 2309 CA GLY A 291 3.436 -5.482 -28.954 1.00 0.00 C +ATOM 2310 C GLY A 291 4.309 -6.603 -28.423 1.00 0.00 C +ATOM 2311 O GLY A 291 4.325 -7.703 -28.981 1.00 0.00 O +ATOM 2312 N TYR A 292 5.108 -6.235 -27.418 1.00 0.00 N +ATOM 2313 CA TYR A 292 5.843 -7.319 -26.777 1.00 0.00 C +ATOM 2314 C TYR A 292 4.891 -8.306 -26.113 1.00 0.00 C +ATOM 2315 CB TYR A 292 6.826 -6.764 -25.742 1.00 0.00 C +ATOM 2316 O TYR A 292 4.260 -7.986 -25.102 1.00 0.00 O +ATOM 2317 CG TYR A 292 7.790 -7.794 -25.206 1.00 0.00 C +ATOM 2318 CD1 TYR A 292 7.487 -8.533 -24.064 1.00 0.00 C +ATOM 2319 CD2 TYR A 292 9.005 -8.031 -25.839 1.00 0.00 C +ATOM 2320 CE1 TYR A 292 8.373 -9.482 -23.566 1.00 0.00 C +ATOM 2321 CE2 TYR A 292 9.899 -8.978 -25.349 1.00 0.00 C +ATOM 2322 OH TYR A 292 10.455 -10.636 -23.725 1.00 0.00 O +ATOM 2323 CZ TYR A 292 9.574 -9.698 -24.214 1.00 0.00 C +ATOM 2324 N ALA A 293 4.678 -9.432 -26.697 1.00 0.00 N +ATOM 2325 CA ALA A 293 3.849 -10.502 -26.147 1.00 0.00 C +ATOM 2326 C ALA A 293 4.497 -11.117 -24.910 1.00 0.00 C +ATOM 2327 CB ALA A 293 3.597 -11.576 -27.202 1.00 0.00 C +ATOM 2328 O ALA A 293 5.298 -12.048 -25.020 1.00 0.00 O +ATOM 2329 N TRP A 294 4.114 -10.570 -23.826 1.00 0.00 N +ATOM 2330 CA TRP A 294 4.561 -11.148 -22.564 1.00 0.00 C +ATOM 2331 C TRP A 294 4.000 -12.554 -22.380 1.00 0.00 C +ATOM 2332 CB TRP A 294 4.144 -10.261 -21.388 1.00 0.00 C +ATOM 2333 O TRP A 294 2.817 -12.795 -22.630 1.00 0.00 O +ATOM 2334 CG TRP A 294 4.773 -8.899 -21.399 1.00 0.00 C +ATOM 2335 CD1 TRP A 294 4.217 -7.740 -21.864 1.00 0.00 C +ATOM 2336 CD2 TRP A 294 6.080 -8.558 -20.929 1.00 0.00 C +ATOM 2337 CE2 TRP A 294 6.251 -7.172 -21.138 1.00 0.00 C +ATOM 2338 CE3 TRP A 294 7.124 -9.291 -20.348 1.00 0.00 C +ATOM 2339 NE1 TRP A 294 5.101 -6.697 -21.709 1.00 0.00 N +ATOM 2340 CH2 TRP A 294 8.432 -7.243 -20.221 1.00 0.00 C +ATOM 2341 CZ2 TRP A 294 7.426 -6.503 -20.787 1.00 0.00 C +ATOM 2342 CZ3 TRP A 294 8.293 -8.623 -20.000 1.00 0.00 C +ATOM 2343 N HIS A 295 4.906 -13.444 -21.943 1.00 0.00 N +ATOM 2344 CA HIS A 295 4.405 -14.703 -21.402 1.00 0.00 C +ATOM 2345 C HIS A 295 3.428 -14.459 -20.257 1.00 0.00 C +ATOM 2346 CB HIS A 295 5.563 -15.581 -20.926 1.00 0.00 C +ATOM 2347 O HIS A 295 3.689 -13.637 -19.376 1.00 0.00 O +ATOM 2348 CG HIS A 295 5.153 -16.974 -20.570 1.00 0.00 C +ATOM 2349 CD2 HIS A 295 5.067 -18.096 -21.323 1.00 0.00 C +ATOM 2350 ND1 HIS A 295 4.765 -17.333 -19.297 1.00 0.00 N +ATOM 2351 CE1 HIS A 295 4.459 -18.620 -19.283 1.00 0.00 C +ATOM 2352 NE2 HIS A 295 4.634 -19.106 -20.500 1.00 0.00 N +ATOM 2353 N PRO A 296 2.262 -15.088 -20.091 1.00 0.00 N +ATOM 2354 CA PRO A 296 1.209 -14.790 -19.117 1.00 0.00 C +ATOM 2355 C PRO A 296 1.704 -14.861 -17.674 1.00 0.00 C +ATOM 2356 CB PRO A 296 0.162 -15.873 -19.388 1.00 0.00 C +ATOM 2357 O PRO A 296 1.325 -14.028 -16.846 1.00 0.00 O +ATOM 2358 CG PRO A 296 0.280 -16.162 -20.850 1.00 0.00 C +ATOM 2359 CD PRO A 296 1.731 -16.101 -21.232 1.00 0.00 C +ATOM 2360 N LEU A 297 2.662 -15.743 -17.452 1.00 0.00 N +ATOM 2361 CA LEU A 297 3.264 -15.866 -16.128 1.00 0.00 C +ATOM 2362 C LEU A 297 4.072 -14.620 -15.781 1.00 0.00 C +ATOM 2363 CB LEU A 297 4.159 -17.105 -16.059 1.00 0.00 C +ATOM 2364 O LEU A 297 3.939 -14.075 -14.683 1.00 0.00 O +ATOM 2365 CG LEU A 297 4.835 -17.380 -14.714 1.00 0.00 C +ATOM 2366 CD1 LEU A 297 3.789 -17.697 -13.651 1.00 0.00 C +ATOM 2367 CD2 LEU A 297 5.838 -18.521 -14.843 1.00 0.00 C +ATOM 2368 N THR A 298 4.843 -14.087 -16.702 1.00 0.00 N +ATOM 2369 CA THR A 298 5.656 -12.892 -16.510 1.00 0.00 C +ATOM 2370 C THR A 298 4.772 -11.664 -16.306 1.00 0.00 C +ATOM 2371 CB THR A 298 6.597 -12.657 -17.705 1.00 0.00 C +ATOM 2372 O THR A 298 5.096 -10.785 -15.505 1.00 0.00 O +ATOM 2373 CG2 THR A 298 7.618 -11.567 -17.396 1.00 0.00 C +ATOM 2374 OG1 THR A 298 7.291 -13.874 -18.006 1.00 0.00 O +ATOM 2375 N ALA A 299 3.579 -11.696 -16.933 1.00 0.00 N +ATOM 2376 CA ALA A 299 2.624 -10.596 -16.832 1.00 0.00 C +ATOM 2377 C ALA A 299 1.891 -10.627 -15.493 1.00 0.00 C +ATOM 2378 CB ALA A 299 1.623 -10.651 -17.983 1.00 0.00 C +ATOM 2379 O ALA A 299 1.546 -9.578 -14.943 1.00 0.00 O +ATOM 2380 N SER A 300 1.764 -11.813 -14.897 1.00 0.87 N +ATOM 2381 CA SER A 300 1.021 -11.981 -13.652 1.00 0.87 C +ATOM 2382 C SER A 300 1.928 -11.803 -12.439 1.00 0.87 C +ATOM 2383 CB SER A 300 0.357 -13.357 -13.605 1.00 0.87 C +ATOM 2384 O SER A 300 1.482 -11.342 -11.386 1.00 0.87 O +ATOM 2385 OG SER A 300 -0.497 -13.542 -14.721 1.00 0.87 O +ATOM 2386 N LEU A 301 3.228 -12.116 -12.535 1.00 0.00 N +ATOM 2387 CA LEU A 301 4.170 -12.162 -11.421 1.00 0.00 C +ATOM 2388 C LEU A 301 4.248 -10.811 -10.719 1.00 0.00 C +ATOM 2389 CB LEU A 301 5.560 -12.577 -11.912 1.00 0.00 C +ATOM 2390 O LEU A 301 4.145 -10.737 -9.493 1.00 0.00 O +ATOM 2391 CG LEU A 301 6.634 -12.752 -10.837 1.00 0.00 C +ATOM 2392 CD1 LEU A 301 6.257 -13.888 -9.892 1.00 0.00 C +ATOM 2393 CD2 LEU A 301 7.994 -13.010 -11.476 1.00 0.00 C +ATOM 2394 N PRO A 302 4.276 -9.642 -11.378 1.00 0.00 N +ATOM 2395 CA PRO A 302 4.284 -8.333 -10.719 1.00 0.00 C +ATOM 2396 C PRO A 302 3.020 -8.075 -9.903 1.00 0.00 C +ATOM 2397 CB PRO A 302 4.389 -7.351 -11.888 1.00 0.00 C +ATOM 2398 O PRO A 302 3.092 -7.506 -8.811 1.00 0.00 O +ATOM 2399 CG PRO A 302 5.097 -8.110 -12.963 1.00 0.00 C +ATOM 2400 CD PRO A 302 4.610 -9.531 -12.944 1.00 0.00 C +ATOM 2401 N ALA A 303 1.857 -8.536 -10.357 1.00 0.00 N +ATOM 2402 CA ALA A 303 0.599 -8.412 -9.625 1.00 0.00 C +ATOM 2403 C ALA A 303 0.620 -9.251 -8.351 1.00 0.00 C +ATOM 2404 CB ALA A 303 -0.575 -8.825 -10.510 1.00 0.00 C +ATOM 2405 O ALA A 303 0.173 -8.798 -7.294 1.00 0.00 O +ATOM 2406 N TYR A 304 1.314 -10.393 -8.393 1.00 0.00 N +ATOM 2407 CA TYR A 304 1.468 -11.254 -7.226 1.00 0.00 C +ATOM 2408 C TYR A 304 2.411 -10.627 -6.206 1.00 0.00 C +ATOM 2409 CB TYR A 304 1.990 -12.633 -7.640 1.00 0.00 C +ATOM 2410 O TYR A 304 2.161 -10.688 -5.000 1.00 0.00 O +ATOM 2411 CG TYR A 304 0.991 -13.450 -8.423 1.00 0.00 C +ATOM 2412 CD1 TYR A 304 -0.280 -13.706 -7.916 1.00 0.00 C +ATOM 2413 CD2 TYR A 304 1.317 -13.968 -9.672 1.00 0.00 C +ATOM 2414 CE1 TYR A 304 -1.203 -14.459 -8.633 1.00 0.00 C +ATOM 2415 CE2 TYR A 304 0.402 -14.722 -10.399 1.00 0.00 C +ATOM 2416 OH TYR A 304 -1.763 -15.709 -10.587 1.00 0.00 O +ATOM 2417 CZ TYR A 304 -0.853 -14.962 -9.872 1.00 0.00 C +ATOM 2418 N PHE A 305 3.458 -9.924 -6.652 1.00 0.00 N +ATOM 2419 CA PHE A 305 4.374 -9.202 -5.777 1.00 0.00 C +ATOM 2420 C PHE A 305 3.687 -7.994 -5.151 1.00 0.00 C +ATOM 2421 CB PHE A 305 5.619 -8.756 -6.550 1.00 0.00 C +ATOM 2422 O PHE A 305 3.764 -7.789 -3.938 1.00 0.00 O +ATOM 2423 CG PHE A 305 6.647 -9.841 -6.725 1.00 0.00 C +ATOM 2424 CD1 PHE A 305 7.368 -10.317 -5.636 1.00 0.00 C +ATOM 2425 CD2 PHE A 305 6.892 -10.386 -7.978 1.00 0.00 C +ATOM 2426 CE1 PHE A 305 8.320 -11.321 -5.795 1.00 0.00 C +ATOM 2427 CE2 PHE A 305 7.841 -11.391 -8.145 1.00 0.00 C +ATOM 2428 CZ PHE A 305 8.555 -11.856 -7.052 1.00 0.00 C +ATOM 2429 N ALA A 306 2.905 -7.249 -5.917 1.00 0.00 N +ATOM 2430 CA ALA A 306 2.152 -6.099 -5.426 1.00 0.00 C +ATOM 2431 C ALA A 306 1.133 -6.520 -4.371 1.00 0.00 C +ATOM 2432 CB ALA A 306 1.453 -5.387 -6.581 1.00 0.00 C +ATOM 2433 O ALA A 306 1.040 -5.903 -3.307 1.00 0.00 O +ATOM 2434 N LYS A 307 0.547 -7.684 -4.500 1.00 0.00 N +ATOM 2435 CA LYS A 307 -0.396 -8.225 -3.525 1.00 0.00 C +ATOM 2436 C LYS A 307 0.319 -8.651 -2.246 1.00 0.00 C +ATOM 2437 CB LYS A 307 -1.161 -9.409 -4.118 1.00 0.00 C +ATOM 2438 O LYS A 307 -0.255 -8.589 -1.157 1.00 0.00 O +ATOM 2439 CG LYS A 307 -2.184 -9.019 -5.174 1.00 0.00 C +ATOM 2440 CD LYS A 307 -2.907 -10.239 -5.730 1.00 0.00 C +ATOM 2441 CE LYS A 307 -3.986 -9.844 -6.729 1.00 0.00 C +ATOM 2442 NZ LYS A 307 -4.751 -11.031 -7.216 1.00 0.00 N +ATOM 2443 N GLY A 308 1.564 -9.083 -2.321 1.00 1.30 N +ATOM 2444 CA GLY A 308 2.408 -9.318 -1.160 1.00 1.30 C +ATOM 2445 C GLY A 308 2.559 -8.096 -0.274 1.00 1.30 C +ATOM 2446 O GLY A 308 2.734 -8.220 0.940 1.00 1.30 O +ATOM 2447 N ALA A 309 2.374 -6.895 -0.819 1.00 0.00 N +ATOM 2448 CA ALA A 309 2.453 -5.639 -0.077 1.00 0.00 C +ATOM 2449 C ALA A 309 1.384 -5.576 1.010 1.00 0.00 C +ATOM 2450 CB ALA A 309 2.313 -4.452 -1.026 1.00 0.00 C +ATOM 2451 O ALA A 309 1.652 -5.127 2.127 1.00 0.00 O +ATOM 2452 N THR A 310 0.188 -6.143 0.785 1.00 0.00 N +ATOM 2453 CA THR A 310 -0.947 -6.112 1.701 1.00 0.00 C +ATOM 2454 C THR A 310 -0.642 -6.908 2.967 1.00 0.00 C +ATOM 2455 CB THR A 310 -2.218 -6.669 1.034 1.00 0.00 C +ATOM 2456 O THR A 310 -1.233 -6.660 4.020 1.00 0.00 O +ATOM 2457 CG2 THR A 310 -2.545 -5.910 -0.247 1.00 0.00 C +ATOM 2458 OG1 THR A 310 -2.018 -8.053 0.719 1.00 0.00 O +ATOM 2459 N ILE A 311 0.369 -7.832 2.942 1.00 0.00 N +ATOM 2460 CA ILE A 311 0.850 -8.594 4.089 1.00 0.00 C +ATOM 2461 C ILE A 311 1.958 -7.817 4.797 1.00 0.00 C +ATOM 2462 CB ILE A 311 1.360 -9.990 3.667 1.00 0.00 C +ATOM 2463 O ILE A 311 1.988 -7.747 6.028 1.00 0.00 O +ATOM 2464 CG1 ILE A 311 0.256 -10.764 2.938 1.00 0.00 C +ATOM 2465 CG2 ILE A 311 1.864 -10.772 4.884 1.00 0.00 C +ATOM 2466 CD1 ILE A 311 0.736 -12.044 2.268 1.00 0.00 C +ATOM 2467 N TYR A 312 2.859 -7.174 4.089 1.00 0.00 N +ATOM 2468 CA TYR A 312 4.072 -6.567 4.625 1.00 0.00 C +ATOM 2469 C TYR A 312 3.765 -5.230 5.289 1.00 0.00 C +ATOM 2470 CB TYR A 312 5.112 -6.374 3.518 1.00 0.00 C +ATOM 2471 O TYR A 312 4.402 -4.860 6.278 1.00 0.00 O +ATOM 2472 CG TYR A 312 5.612 -7.668 2.922 1.00 0.00 C +ATOM 2473 CD1 TYR A 312 6.275 -8.608 3.707 1.00 0.00 C +ATOM 2474 CD2 TYR A 312 5.423 -7.952 1.574 1.00 0.00 C +ATOM 2475 CE1 TYR A 312 6.739 -9.801 3.162 1.00 0.00 C +ATOM 2476 CE2 TYR A 312 5.883 -9.141 1.018 1.00 0.00 C +ATOM 2477 OH TYR A 312 6.996 -11.237 1.274 1.00 0.00 O +ATOM 2478 CZ TYR A 312 6.538 -10.058 1.819 1.00 0.00 C +ATOM 2479 N ASN A 313 2.821 -4.519 4.743 1.00 0.00 N +ATOM 2480 CA ASN A 313 2.503 -3.195 5.267 1.00 0.00 C +ATOM 2481 C ASN A 313 2.155 -3.249 6.752 1.00 0.00 C +ATOM 2482 CB ASN A 313 1.354 -2.566 4.475 1.00 0.00 C +ATOM 2483 O ASN A 313 2.823 -2.619 7.574 1.00 0.00 O +ATOM 2484 CG ASN A 313 1.783 -2.097 3.099 1.00 0.00 C +ATOM 2485 ND2 ASN A 313 0.818 -1.939 2.200 1.00 0.00 N +ATOM 2486 OD1 ASN A 313 2.970 -1.878 2.846 1.00 0.00 O +ATOM 2487 N PRO A 314 1.211 -4.083 7.256 1.00 0.00 N +ATOM 2488 CA PRO A 314 0.912 -4.181 8.686 1.00 0.00 C +ATOM 2489 C PRO A 314 2.062 -4.783 9.490 1.00 0.00 C +ATOM 2490 CB PRO A 314 -0.318 -5.093 8.727 1.00 0.00 C +ATOM 2491 O PRO A 314 2.322 -4.356 10.618 1.00 0.00 O +ATOM 2492 CG PRO A 314 -0.306 -5.809 7.415 1.00 0.00 C +ATOM 2493 CD PRO A 314 0.363 -4.931 6.398 1.00 0.00 C +ATOM 2494 N ILE A 315 2.807 -5.772 8.922 1.00 0.00 N +ATOM 2495 CA ILE A 315 3.938 -6.398 9.598 1.00 0.00 C +ATOM 2496 C ILE A 315 5.024 -5.357 9.860 1.00 0.00 C +ATOM 2497 CB ILE A 315 4.509 -7.573 8.774 1.00 0.00 C +ATOM 2498 O ILE A 315 5.496 -5.214 10.990 1.00 0.00 O +ATOM 2499 CG1 ILE A 315 3.506 -8.731 8.727 1.00 0.00 C +ATOM 2500 CG2 ILE A 315 5.852 -8.034 9.349 1.00 0.00 C +ATOM 2501 CD1 ILE A 315 3.901 -9.855 7.779 1.00 0.00 C +ATOM 2502 N ILE A 316 5.390 -4.568 8.882 1.00 0.00 N +ATOM 2503 CA ILE A 316 6.376 -3.500 9.005 1.00 0.00 C +ATOM 2504 C ILE A 316 5.914 -2.489 10.052 1.00 0.00 C +ATOM 2505 CB ILE A 316 6.619 -2.796 7.651 1.00 0.00 C +ATOM 2506 O ILE A 316 6.675 -2.125 10.952 1.00 0.00 O +ATOM 2507 CG1 ILE A 316 7.377 -3.725 6.696 1.00 0.00 C +ATOM 2508 CG2 ILE A 316 7.378 -1.482 7.854 1.00 0.00 C +ATOM 2509 CD1 ILE A 316 7.401 -3.242 5.252 1.00 0.00 C +ATOM 2510 N TYR A 317 4.704 -2.157 10.050 1.00 0.00 N +ATOM 2511 CA TYR A 317 4.172 -1.173 10.985 1.00 0.00 C +ATOM 2512 C TYR A 317 4.200 -1.705 12.412 1.00 0.00 C +ATOM 2513 CB TYR A 317 2.741 -0.784 10.601 1.00 0.00 C +ATOM 2514 O TYR A 317 4.604 -0.998 13.338 1.00 0.00 O +ATOM 2515 CG TYR A 317 2.120 0.237 11.523 1.00 0.00 C +ATOM 2516 CD1 TYR A 317 2.377 1.596 11.363 1.00 0.00 C +ATOM 2517 CD2 TYR A 317 1.278 -0.156 12.558 1.00 0.00 C +ATOM 2518 CE1 TYR A 317 1.809 2.541 12.212 1.00 0.00 C +ATOM 2519 CE2 TYR A 317 0.704 0.779 13.413 1.00 0.00 C +ATOM 2520 OH TYR A 317 0.410 3.054 14.075 1.00 0.00 O +ATOM 2521 CZ TYR A 317 0.975 2.123 13.232 1.00 0.00 C +ATOM 2522 N VAL A 318 3.807 -2.963 12.680 1.00 0.00 N +ATOM 2523 CA VAL A 318 3.870 -3.615 13.983 1.00 0.00 C +ATOM 2524 C VAL A 318 5.314 -3.644 14.478 1.00 0.00 C +ATOM 2525 CB VAL A 318 3.296 -5.049 13.929 1.00 0.00 C +ATOM 2526 O VAL A 318 5.584 -3.340 15.643 1.00 0.00 O +ATOM 2527 CG1 VAL A 318 3.609 -5.805 15.219 1.00 0.00 C +ATOM 2528 CG2 VAL A 318 1.790 -5.011 13.679 1.00 0.00 C +ATOM 2529 N PHE A 319 6.280 -3.884 13.586 1.00 0.00 N +ATOM 2530 CA PHE A 319 7.683 -3.971 13.974 1.00 0.00 C +ATOM 2531 C PHE A 319 8.253 -2.586 14.259 1.00 0.00 C +ATOM 2532 CB PHE A 319 8.503 -4.662 12.880 1.00 0.00 C +ATOM 2533 O PHE A 319 9.049 -2.415 15.185 1.00 0.00 O +ATOM 2534 CG PHE A 319 8.475 -6.164 12.957 1.00 0.00 C +ATOM 2535 CD1 PHE A 319 9.041 -6.829 14.038 1.00 0.00 C +ATOM 2536 CD2 PHE A 319 7.882 -6.912 11.949 1.00 0.00 C +ATOM 2537 CE1 PHE A 319 9.017 -8.220 14.113 1.00 0.00 C +ATOM 2538 CE2 PHE A 319 7.853 -8.302 12.016 1.00 0.00 C +ATOM 2539 CZ PHE A 319 8.422 -8.954 13.098 1.00 0.00 C +ATOM 2540 N MET A 320 7.690 -1.586 13.618 1.00 0.00 N +ATOM 2541 CA MET A 320 8.243 -0.236 13.674 1.00 0.00 C +ATOM 2542 C MET A 320 7.590 0.574 14.790 1.00 0.00 C +ATOM 2543 CB MET A 320 8.058 0.478 12.334 1.00 0.00 C +ATOM 2544 O MET A 320 8.208 1.484 15.345 1.00 0.00 O +ATOM 2545 CG MET A 320 8.923 -0.082 11.216 1.00 0.00 C +ATOM 2546 SD MET A 320 8.752 0.864 9.653 1.00 0.00 S +ATOM 2547 CE MET A 320 9.715 2.345 10.069 1.00 0.00 C +ATOM 2548 N ASN A 321 6.393 0.326 15.140 1.00 0.00 N +ATOM 2549 CA ASN A 321 5.658 1.063 16.162 1.00 0.00 C +ATOM 2550 C ASN A 321 5.536 0.259 17.454 1.00 0.00 C +ATOM 2551 CB ASN A 321 4.272 1.456 15.648 1.00 0.00 C +ATOM 2552 O ASN A 321 4.674 -0.615 17.566 1.00 0.00 O +ATOM 2553 CG ASN A 321 3.536 2.379 16.600 1.00 0.00 C +ATOM 2554 ND2 ASN A 321 2.682 3.236 16.053 1.00 0.00 N +ATOM 2555 OD1 ASN A 321 3.735 2.323 17.816 1.00 0.00 O +ATOM 2556 N ARG A 322 6.411 0.620 18.419 1.00 0.00 N +ATOM 2557 CA ARG A 322 6.489 -0.058 19.709 1.00 0.00 C +ATOM 2558 C ARG A 322 5.134 -0.063 20.407 1.00 0.00 C +ATOM 2559 CB ARG A 322 7.537 0.607 20.603 1.00 0.00 C +ATOM 2560 O ARG A 322 4.742 -1.067 21.007 1.00 0.00 O +ATOM 2561 CG ARG A 322 7.722 -0.077 21.948 1.00 0.00 C +ATOM 2562 CD ARG A 322 8.826 0.578 22.767 1.00 0.00 C +ATOM 2563 NE ARG A 322 8.981 -0.060 24.071 1.00 0.00 N +ATOM 2564 NH1 ARG A 322 10.607 1.398 24.823 1.00 0.00 N +ATOM 2565 NH2 ARG A 322 9.882 -0.310 26.169 1.00 0.00 N +ATOM 2566 CZ ARG A 322 9.823 0.344 25.018 1.00 0.00 C +ATOM 2567 N GLN A 323 4.410 1.039 20.368 1.00 0.00 N +ATOM 2568 CA GLN A 323 3.089 1.127 20.981 1.00 0.00 C +ATOM 2569 C GLN A 323 2.123 0.126 20.353 1.00 0.00 C +ATOM 2570 CB GLN A 323 2.532 2.545 20.856 1.00 0.00 C +ATOM 2571 O GLN A 323 1.444 -0.619 21.062 1.00 0.00 O +ATOM 2572 CG GLN A 323 3.297 3.581 21.668 1.00 0.00 C +ATOM 2573 CD GLN A 323 2.723 4.979 21.526 1.00 0.00 C +ATOM 2574 NE2 GLN A 323 3.112 5.873 22.428 1.00 0.00 N +ATOM 2575 OE1 GLN A 323 1.938 5.252 20.613 1.00 0.00 O +ATOM 2576 N PHE A 324 2.115 0.069 19.067 1.00 0.00 N +ATOM 2577 CA PHE A 324 1.257 -0.848 18.327 1.00 0.00 C +ATOM 2578 C PHE A 324 1.651 -2.295 18.597 1.00 0.00 C +ATOM 2579 CB PHE A 324 1.326 -0.556 16.824 1.00 0.00 C +ATOM 2580 O PHE A 324 0.802 -3.122 18.935 1.00 0.00 O +ATOM 2581 CG PHE A 324 0.118 -1.026 16.059 1.00 0.00 C +ATOM 2582 CD1 PHE A 324 0.025 -2.341 15.620 1.00 0.00 C +ATOM 2583 CD2 PHE A 324 -0.924 -0.153 15.779 1.00 0.00 C +ATOM 2584 CE1 PHE A 324 -1.092 -2.779 14.911 1.00 0.00 C +ATOM 2585 CE2 PHE A 324 -2.043 -0.583 15.071 1.00 0.00 C +ATOM 2586 CZ PHE A 324 -2.124 -1.896 14.637 1.00 0.00 C +ATOM 2587 N ARG A 325 2.917 -2.633 18.566 1.00 0.00 N +ATOM 2588 CA ARG A 325 3.447 -3.943 18.930 1.00 0.00 C +ATOM 2589 C ARG A 325 3.004 -4.342 20.334 1.00 0.00 C +ATOM 2590 CB ARG A 325 4.974 -3.949 18.841 1.00 0.00 C +ATOM 2591 O ARG A 325 2.523 -5.457 20.545 1.00 0.00 O +ATOM 2592 CG ARG A 325 5.603 -5.304 19.126 1.00 0.00 C +ATOM 2593 CD ARG A 325 7.117 -5.268 18.971 1.00 0.00 C +ATOM 2594 NE ARG A 325 7.739 -4.394 19.962 1.00 0.00 N +ATOM 2595 NH1 ARG A 325 9.509 -3.779 18.611 1.00 0.00 N +ATOM 2596 NH2 ARG A 325 9.340 -2.942 20.738 1.00 0.00 N +ATOM 2597 CZ ARG A 325 8.861 -3.707 19.768 1.00 0.00 C +ATOM 2598 N ASN A 326 3.111 -3.435 21.318 1.00 0.00 N +ATOM 2599 CA ASN A 326 2.681 -3.689 22.689 1.00 0.00 C +ATOM 2600 C ASN A 326 1.181 -3.961 22.764 1.00 0.00 C +ATOM 2601 CB ASN A 326 3.053 -2.513 23.595 1.00 0.00 C +ATOM 2602 O ASN A 326 0.749 -4.891 23.448 1.00 0.00 O +ATOM 2603 CG ASN A 326 4.545 -2.413 23.840 1.00 0.00 C +ATOM 2604 ND2 ASN A 326 4.958 -1.392 24.581 1.00 0.00 N +ATOM 2605 OD1 ASN A 326 5.321 -3.247 23.366 1.00 0.00 O +ATOM 2606 N CYS A 327 0.348 -3.280 22.001 1.00 0.00 N +ATOM 2607 CA CYS A 327 -1.092 -3.500 21.938 1.00 0.00 C +ATOM 2608 C CYS A 327 -1.410 -4.850 21.306 1.00 0.00 C +ATOM 2609 CB CYS A 327 -1.771 -2.383 21.146 1.00 0.00 C +ATOM 2610 O CYS A 327 -2.274 -5.581 21.794 1.00 0.00 O +ATOM 2611 SG CYS A 327 -1.788 -0.792 22.000 1.00 0.00 S +ATOM 2612 N ILE A 328 -0.667 -5.300 20.315 1.00 0.00 N +ATOM 2613 CA ILE A 328 -0.839 -6.609 19.694 1.00 0.00 C +ATOM 2614 C ILE A 328 -0.428 -7.704 20.675 1.00 0.00 C +ATOM 2615 CB ILE A 328 -0.022 -6.726 18.387 1.00 0.00 C +ATOM 2616 O ILE A 328 -1.161 -8.676 20.872 1.00 0.00 O +ATOM 2617 CG1 ILE A 328 -0.657 -5.873 17.282 1.00 0.00 C +ATOM 2618 CG2 ILE A 328 0.093 -8.189 17.952 1.00 0.00 C +ATOM 2619 CD1 ILE A 328 0.135 -5.855 15.982 1.00 0.00 C +ATOM 2620 N LEU A 329 0.668 -7.555 21.402 1.00 1.09 N +ATOM 2621 CA LEU A 329 1.096 -8.513 22.416 1.00 1.09 C +ATOM 2622 C LEU A 329 0.065 -8.615 23.535 1.00 1.09 C +ATOM 2623 CB LEU A 329 2.456 -8.110 22.994 1.00 1.09 C +ATOM 2624 O LEU A 329 -0.270 -9.717 23.977 1.00 1.09 O +ATOM 2625 CG LEU A 329 3.665 -8.304 22.078 1.00 1.09 C +ATOM 2626 CD1 LEU A 329 4.911 -7.689 22.708 1.00 1.09 C +ATOM 2627 CD2 LEU A 329 3.883 -9.784 21.785 1.00 1.09 C +ATOM 2628 N GLN A 330 -0.593 -7.518 23.942 1.00 0.00 N +ATOM 2629 CA GLN A 330 -1.657 -7.485 24.940 1.00 0.00 C +ATOM 2630 C GLN A 330 -2.910 -8.192 24.432 1.00 0.00 C +ATOM 2631 CB GLN A 330 -1.988 -6.042 25.325 1.00 0.00 C +ATOM 2632 O GLN A 330 -3.626 -8.831 25.206 1.00 0.00 O +ATOM 2633 CG GLN A 330 -0.948 -5.393 26.227 1.00 0.00 C +ATOM 2634 CD GLN A 330 -1.262 -3.940 26.534 1.00 0.00 C +ATOM 2635 NE2 GLN A 330 -0.360 -3.277 27.249 1.00 0.00 N +ATOM 2636 OE1 GLN A 330 -2.307 -3.419 26.131 1.00 0.00 O +ATOM 2637 N LEU A 331 -3.202 -8.161 23.162 1.00 0.00 N +ATOM 2638 CA LEU A 331 -4.308 -8.912 22.576 1.00 0.00 C +ATOM 2639 C LEU A 331 -4.084 -10.413 22.723 1.00 0.00 C +ATOM 2640 CB LEU A 331 -4.475 -8.551 21.098 1.00 0.00 C +ATOM 2641 O LEU A 331 -5.039 -11.171 22.911 1.00 0.00 O +ATOM 2642 CG LEU A 331 -5.048 -7.165 20.798 1.00 0.00 C +ATOM 2643 CD1 LEU A 331 -5.026 -6.895 19.297 1.00 0.00 C +ATOM 2644 CD2 LEU A 331 -6.465 -7.041 21.348 1.00 0.00 C +ATOM 2645 N PHE A 332 -2.896 -10.911 22.749 1.00 0.00 N +ATOM 2646 CA PHE A 332 -2.533 -12.317 22.885 1.00 0.00 C +ATOM 2647 C PHE A 332 -2.285 -12.674 24.346 1.00 0.00 C +ATOM 2648 CB PHE A 332 -1.290 -12.636 22.048 1.00 0.00 C +ATOM 2649 O PHE A 332 -1.636 -13.679 24.643 1.00 0.00 O +ATOM 2650 CG PHE A 332 -1.547 -12.661 20.565 1.00 0.00 C +ATOM 2651 CD1 PHE A 332 -2.344 -13.648 20.000 1.00 0.00 C +ATOM 2652 CD2 PHE A 332 -0.990 -11.695 19.737 1.00 0.00 C +ATOM 2653 CE1 PHE A 332 -2.583 -13.673 18.628 1.00 0.00 C +ATOM 2654 CE2 PHE A 332 -1.224 -11.714 18.365 1.00 0.00 C +ATOM 2655 CZ PHE A 332 -2.020 -12.704 17.812 1.00 0.00 C +ATOM 2656 N GLY A 333 -2.724 -11.789 25.248 1.00 0.00 N +ATOM 2657 CA GLY A 333 -2.665 -12.040 26.679 1.00 0.00 C +ATOM 2658 C GLY A 333 -1.264 -11.918 27.249 1.00 0.00 C +ATOM 2659 O GLY A 333 -1.029 -12.259 28.410 1.00 0.00 O +ATOM 2660 N LYS A 334 -0.298 -11.474 26.442 1.00 0.00 N +ATOM 2661 CA LYS A 334 1.035 -11.228 26.986 1.00 0.00 C +ATOM 2662 C LYS A 334 1.060 -9.955 27.826 1.00 0.00 C +ATOM 2663 CB LYS A 334 2.065 -11.133 25.859 1.00 0.00 C +ATOM 2664 O LYS A 334 0.702 -8.878 27.342 1.00 0.00 O +ATOM 2665 CG LYS A 334 2.265 -12.431 25.091 1.00 0.00 C +ATOM 2666 CD LYS A 334 3.424 -12.327 24.109 1.00 0.00 C +ATOM 2667 CE LYS A 334 3.657 -13.642 23.376 1.00 0.00 C +ATOM 2668 NZ LYS A 334 4.825 -13.560 22.449 1.00 0.00 N +ATOM 2669 N LYS A 335 1.457 -10.065 29.117 1.00 0.00 N +ATOM 2670 CA LYS A 335 1.804 -8.905 29.933 1.00 0.00 C +ATOM 2671 C LYS A 335 2.965 -8.128 29.320 1.00 0.00 C +ATOM 2672 CB LYS A 335 2.155 -9.336 31.357 1.00 0.00 C +ATOM 2673 O LYS A 335 4.079 -8.647 29.215 1.00 0.00 O +ATOM 2674 CG LYS A 335 0.981 -9.904 32.140 1.00 0.00 C +ATOM 2675 CD LYS A 335 1.363 -10.202 33.584 1.00 0.00 C +ATOM 2676 CE LYS A 335 0.183 -10.753 34.374 1.00 0.00 C +ATOM 2677 NZ LYS A 335 0.531 -10.970 35.810 1.00 0.00 N +ATOM 2678 N VAL A 336 2.612 -7.050 28.830 1.00 0.00 N +ATOM 2679 CA VAL A 336 3.625 -6.053 28.499 1.00 0.00 C +ATOM 2680 C VAL A 336 4.013 -5.273 29.754 1.00 0.00 C +ATOM 2681 CB VAL A 336 3.132 -5.085 27.401 1.00 0.00 C +ATOM 2682 O VAL A 336 3.173 -4.603 30.359 1.00 0.00 O +ATOM 2683 CG1 VAL A 336 4.237 -4.107 27.007 1.00 0.00 C +ATOM 2684 CG2 VAL A 336 2.645 -5.866 26.182 1.00 0.00 C +ATOM 2685 N GLU A 337 5.273 -5.485 30.174 1.00 0.00 N +ATOM 2686 CA GLU A 337 5.818 -4.538 31.142 1.00 0.00 C +ATOM 2687 C GLU A 337 5.810 -3.116 30.587 1.00 0.00 C +ATOM 2688 CB GLU A 337 7.241 -4.937 31.543 1.00 0.00 C +ATOM 2689 O GLU A 337 6.546 -2.806 29.647 1.00 0.00 O +ATOM 2690 CG GLU A 337 7.320 -6.259 32.293 1.00 0.00 C +ATOM 2691 CD GLU A 337 8.746 -6.715 32.555 1.00 0.00 C +ATOM 2692 OE1 GLU A 337 9.695 -6.026 32.116 1.00 0.00 O +ATOM 2693 OE2 GLU A 337 8.917 -7.772 33.203 1.00 0.00 O +ATOM 2694 N ASP A 338 4.739 -2.425 30.951 1.00 0.00 N +ATOM 2695 CA ASP A 338 4.763 -0.993 30.669 1.00 0.00 C +ATOM 2696 C ASP A 338 6.053 -0.355 31.178 1.00 0.00 C +ATOM 2697 CB ASP A 338 3.551 -0.302 31.296 1.00 0.00 C +ATOM 2698 O ASP A 338 6.133 0.056 32.338 1.00 0.00 O +ATOM 2699 CG ASP A 338 2.269 -0.525 30.513 1.00 0.00 C +ATOM 2700 OD1 ASP A 338 2.333 -0.703 29.277 1.00 0.00 O +ATOM 2701 OD2 ASP A 338 1.186 -0.519 31.136 1.00 0.00 O +ATOM 2702 N GLY A 339 7.064 -0.283 30.432 1.00 0.00 N +ATOM 2703 CA GLY A 339 8.342 0.357 30.699 1.00 0.00 C +ATOM 2704 C GLY A 339 8.219 1.845 30.967 1.00 0.00 C +ATOM 2705 O GLY A 339 9.134 2.614 30.664 1.00 0.00 O +ATOM 2706 N SER A 340 6.951 2.326 31.131 1.00 0.00 N +ATOM 2707 CA SER A 340 6.628 3.716 31.439 1.00 0.00 C +ATOM 2708 C SER A 340 7.028 4.073 32.867 1.00 0.00 C +ATOM 2709 CB SER A 340 5.135 3.977 31.239 1.00 0.00 C +ATOM 2710 O SER A 340 6.931 5.233 33.273 1.00 0.00 O +ATOM 2711 OG SER A 340 4.361 2.936 31.811 1.00 0.00 O +ATOM 2712 N GLU A 341 7.671 3.128 33.646 1.00 0.00 N +ATOM 2713 CA GLU A 341 8.073 3.422 35.019 1.00 0.00 C +ATOM 2714 C GLU A 341 9.389 4.194 35.055 1.00 0.00 C +ATOM 2715 CB GLU A 341 8.197 2.131 35.831 1.00 0.00 C +ATOM 2716 O GLU A 341 9.727 4.807 36.070 1.00 0.00 O +ATOM 2717 CG GLU A 341 6.995 1.845 36.719 1.00 0.00 C +ATOM 2718 CD GLU A 341 7.185 0.629 37.612 1.00 0.00 C +ATOM 2719 OE1 GLU A 341 8.168 -0.121 37.416 1.00 0.00 O +ATOM 2720 OE2 GLU A 341 6.343 0.424 38.515 1.00 0.00 O +ATOM 2721 N ILE A 342 9.919 4.560 33.918 1.00 0.00 N +ATOM 2722 CA ILE A 342 11.268 5.114 33.938 1.00 0.00 C +ATOM 2723 C ILE A 342 11.200 6.640 33.932 1.00 0.00 C +ATOM 2724 CB ILE A 342 12.105 4.610 32.741 1.00 0.00 C +ATOM 2725 O ILE A 342 12.194 7.313 34.211 1.00 0.00 O +ATOM 2726 CG1 ILE A 342 12.311 3.094 32.834 1.00 0.00 C +ATOM 2727 CG2 ILE A 342 13.448 5.343 32.674 1.00 0.00 C +ATOM 2728 CD1 ILE A 342 13.004 2.488 31.621 1.00 0.00 C +ATOM 2729 N THR A 343 9.941 7.242 33.929 1.00 0.00 N +ATOM 2730 CA THR A 343 9.978 8.690 33.756 1.00 0.00 C +ATOM 2731 C THR A 343 9.419 9.397 34.988 1.00 0.00 C +ATOM 2732 CB THR A 343 9.187 9.124 32.508 1.00 0.00 C +ATOM 2733 O THR A 343 9.428 10.627 35.062 1.00 0.00 O +ATOM 2734 CG2 THR A 343 10.120 9.399 31.333 1.00 0.00 C +ATOM 2735 OG1 THR A 343 8.272 8.084 32.144 1.00 0.00 O +ATOM 2736 N SER A 344 9.092 8.657 36.050 1.00 0.00 N +ATOM 2737 CA SER A 344 8.388 9.374 37.108 1.00 0.00 C +ATOM 2738 C SER A 344 9.268 9.543 38.342 1.00 0.00 C +ATOM 2739 CB SER A 344 7.099 8.643 37.486 1.00 0.00 C +ATOM 2740 O SER A 344 8.884 10.222 39.296 1.00 0.00 O +ATOM 2741 OG SER A 344 6.601 7.901 36.387 1.00 0.00 O +ATOM 2742 N SER A 345 10.540 9.136 38.324 1.00 0.28 N +ATOM 2743 CA SER A 345 11.259 9.158 39.593 1.00 0.28 C +ATOM 2744 C SER A 345 12.336 10.238 39.600 1.00 0.28 C +ATOM 2745 CB SER A 345 11.891 7.794 39.875 1.00 0.28 C +ATOM 2746 O SER A 345 13.019 10.434 40.608 1.00 0.28 O +ATOM 2747 OG SER A 345 12.030 7.047 38.679 1.00 0.28 O +ATOM 2748 N SER A 346 12.385 11.117 38.519 1.00 0.00 N +ATOM 2749 CA SER A 346 13.516 12.037 38.576 1.00 0.00 C +ATOM 2750 C SER A 346 13.048 13.485 38.668 1.00 0.00 C +ATOM 2751 CB SER A 346 14.414 11.859 37.351 1.00 0.00 C +ATOM 2752 O SER A 346 13.862 14.410 38.625 1.00 0.00 O +ATOM 2753 OG SER A 346 13.654 11.929 36.157 1.00 0.00 O +ATOM 2754 N THR A 347 11.697 13.803 38.821 1.00 0.38 N +ATOM 2755 CA THR A 347 11.281 15.201 38.858 1.00 0.38 C +ATOM 2756 C THR A 347 10.914 15.619 40.279 1.00 0.38 C +ATOM 2757 CB THR A 347 10.086 15.452 37.921 1.00 0.38 C +ATOM 2758 O THR A 347 10.487 16.753 40.507 1.00 0.38 O +ATOM 2759 CG2 THR A 347 10.197 16.813 37.240 1.00 0.38 C +ATOM 2760 OG1 THR A 347 10.049 14.430 36.917 1.00 0.38 O +ATOM 2761 N THR A 348 11.118 14.833 41.237 1.00 0.00 N +ATOM 2762 CA THR A 348 10.533 15.210 42.519 1.00 0.00 C +ATOM 2763 C THR A 348 11.596 15.789 43.449 1.00 0.00 C +ATOM 2764 CB THR A 348 9.853 14.007 43.198 1.00 0.00 C +ATOM 2765 O THR A 348 11.272 16.347 44.500 1.00 0.00 O +ATOM 2766 CG2 THR A 348 8.973 14.456 44.360 1.00 0.00 C +ATOM 2767 OG1 THR A 348 9.042 13.319 42.237 1.00 0.00 O +ATOM 2768 N GLU A 349 12.803 16.179 42.932 1.00 0.00 N +ATOM 2769 CA GLU A 349 13.661 16.676 44.003 1.00 0.00 C +ATOM 2770 C GLU A 349 14.272 18.026 43.641 1.00 0.00 C +ATOM 2771 CB GLU A 349 14.767 15.665 44.318 1.00 0.00 C +ATOM 2772 O GLU A 349 15.283 18.431 44.218 1.00 0.00 O +ATOM 2773 CG GLU A 349 14.471 14.785 45.523 1.00 0.00 C +ATOM 2774 CD GLU A 349 15.601 13.824 45.857 1.00 0.00 C +ATOM 2775 OE1 GLU A 349 16.451 13.558 44.977 1.00 0.00 O +ATOM 2776 OE2 GLU A 349 15.636 13.332 47.007 1.00 0.00 O +ATOM 2777 N VAL A 350 13.547 18.762 42.674 1.00 0.00 N +ATOM 2778 CA VAL A 350 14.008 20.142 42.565 1.00 0.00 C +ATOM 2779 C VAL A 350 13.018 21.074 43.259 1.00 0.00 C +ATOM 2780 CB VAL A 350 14.194 20.563 41.090 1.00 0.00 C +ATOM 2781 O VAL A 350 12.880 22.239 42.876 1.00 0.00 O +ATOM 2782 CG1 VAL A 350 14.721 21.995 41.000 1.00 0.00 C +ATOM 2783 CG2 VAL A 350 15.137 19.598 40.375 1.00 0.00 C +ATOM 2784 N SER A 351 12.418 20.642 44.336 1.00 0.00 N +ATOM 2785 CA SER A 351 11.548 21.543 45.084 1.00 0.00 C +ATOM 2786 C SER A 351 12.069 21.765 46.500 1.00 0.00 C +ATOM 2787 CB SER A 351 10.123 20.991 45.137 1.00 0.00 C +ATOM 2788 O SER A 351 11.936 20.892 47.361 1.00 0.00 O +ATOM 2789 OG SER A 351 9.222 21.970 45.625 1.00 0.00 O +ATOM 2790 N THR A 352 12.964 22.641 46.796 1.00 0.00 N +ATOM 2791 CA THR A 352 12.888 23.367 48.059 1.00 0.00 C +ATOM 2792 C THR A 352 14.280 23.775 48.534 1.00 0.00 C +ATOM 2793 CB THR A 352 12.198 22.524 49.147 1.00 0.00 C +ATOM 2794 O THR A 352 14.733 23.337 49.594 1.00 0.00 O +ATOM 2795 CG2 THR A 352 10.680 22.593 49.016 1.00 0.00 C +ATOM 2796 OG1 THR A 352 12.616 21.159 49.022 1.00 0.00 O +ATOM 2797 N ALA A 353 15.090 24.366 47.683 1.00 0.00 N +ATOM 2798 CA ALA A 353 16.196 25.114 48.274 1.00 0.00 C +ATOM 2799 C ALA A 353 16.182 26.569 47.813 1.00 0.00 C +ATOM 2800 CB ALA A 353 17.530 24.460 47.921 1.00 0.00 C +ATOM 2801 O ALA A 353 16.693 26.890 46.737 1.00 0.00 O +ATOM 2802 N SER A 354 15.219 27.368 48.304 1.00 0.00 N +ATOM 2803 CA SER A 354 15.319 28.776 48.678 1.00 0.00 C +ATOM 2804 C SER A 354 14.780 29.013 50.084 1.00 0.00 C +ATOM 2805 CB SER A 354 14.562 29.651 47.678 1.00 0.00 C +ATOM 2806 O SER A 354 13.749 28.453 50.463 1.00 0.00 O +ATOM 2807 OG SER A 354 13.245 29.166 47.480 1.00 0.00 O +TER 2808 SER A 354 +END diff --git a/examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/C_phantasticus_LWS2_esmfold_shap_mapped.pdb b/examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/C_phantasticus_LWS2_esmfold_shap_mapped.pdb new file mode 100644 index 00000000..60cd47fe --- /dev/null +++ b/examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/C_phantasticus_LWS2_esmfold_shap_mapped.pdb @@ -0,0 +1,2810 @@ +PARENT N/A +ATOM 1 N MET A 1 -19.579 18.856 -44.696 1.00 0.00 N +ATOM 2 CA MET A 1 -20.666 18.031 -44.178 1.00 0.00 C +ATOM 3 C MET A 1 -20.506 16.580 -44.620 1.00 0.00 C +ATOM 4 CB MET A 1 -22.020 18.572 -44.640 1.00 0.00 C +ATOM 5 O MET A 1 -20.640 15.661 -43.810 1.00 0.00 O +ATOM 6 CG MET A 1 -22.557 19.701 -43.774 1.00 0.00 C +ATOM 7 SD MET A 1 -24.257 20.203 -44.249 1.00 0.00 S +ATOM 8 CE MET A 1 -24.271 21.909 -43.630 1.00 0.00 C +ATOM 9 N ALA A 2 -20.013 16.371 -45.861 1.00 0.00 N +ATOM 10 CA ALA A 2 -19.929 15.027 -46.426 1.00 0.00 C +ATOM 11 C ALA A 2 -18.938 14.166 -45.648 1.00 0.00 C +ATOM 12 CB ALA A 2 -19.529 15.093 -47.898 1.00 0.00 C +ATOM 13 O ALA A 2 -19.248 13.030 -45.282 1.00 0.00 O +ATOM 14 N ASP A 3 -17.887 14.764 -45.273 1.00 0.00 N +ATOM 15 CA ASP A 3 -16.832 14.020 -44.593 1.00 0.00 C +ATOM 16 C ASP A 3 -17.306 13.513 -43.233 1.00 0.00 C +ATOM 17 CB ASP A 3 -15.585 14.890 -44.424 1.00 0.00 C +ATOM 18 O ASP A 3 -16.931 12.418 -42.808 1.00 0.00 O +ATOM 19 CG ASP A 3 -14.957 15.289 -45.748 1.00 0.00 C +ATOM 20 OD1 ASP A 3 -15.084 14.534 -46.736 1.00 0.00 O +ATOM 21 OD2 ASP A 3 -14.326 16.367 -45.803 1.00 0.00 O +ATOM 22 N ARG A 4 -18.095 14.237 -42.548 1.00 0.00 N +ATOM 23 CA ARG A 4 -18.576 13.841 -41.228 1.00 0.00 C +ATOM 24 C ARG A 4 -19.563 12.682 -41.329 1.00 0.00 C +ATOM 25 CB ARG A 4 -19.232 15.027 -40.516 1.00 0.00 C +ATOM 26 O ARG A 4 -19.621 11.830 -40.441 1.00 0.00 O +ATOM 27 CG ARG A 4 -18.243 15.962 -39.840 1.00 0.00 C +ATOM 28 CD ARG A 4 -18.948 16.994 -38.970 1.00 0.00 C +ATOM 29 NE ARG A 4 -17.994 17.839 -38.257 1.00 0.00 N +ATOM 30 NH1 ARG A 4 -19.582 18.866 -36.930 1.00 0.00 N +ATOM 31 NH2 ARG A 4 -17.369 19.428 -36.721 1.00 0.00 N +ATOM 32 CZ ARG A 4 -18.317 18.709 -37.304 1.00 0.00 C +ATOM 33 N VAL A 5 -20.310 12.599 -42.390 1.00 0.00 N +ATOM 34 CA VAL A 5 -21.277 11.526 -42.597 1.00 0.00 C +ATOM 35 C VAL A 5 -20.546 10.232 -42.946 1.00 0.00 C +ATOM 36 CB VAL A 5 -22.291 11.881 -43.707 1.00 0.00 C +ATOM 37 O VAL A 5 -20.866 9.167 -42.413 1.00 0.00 O +ATOM 38 CG1 VAL A 5 -23.232 10.708 -43.975 1.00 0.00 C +ATOM 39 CG2 VAL A 5 -23.085 13.129 -43.324 1.00 0.00 C +ATOM 40 N MET A 6 -19.461 10.357 -43.773 1.00 0.00 N +ATOM 41 CA MET A 6 -18.666 9.192 -44.150 1.00 0.00 C +ATOM 42 C MET A 6 -17.928 8.624 -42.942 1.00 0.00 C +ATOM 43 CB MET A 6 -17.667 9.555 -45.250 1.00 0.00 C +ATOM 44 O MET A 6 -17.831 7.405 -42.785 1.00 0.00 O +ATOM 45 CG MET A 6 -18.272 9.577 -46.644 1.00 0.00 C +ATOM 46 SD MET A 6 -17.137 8.893 -47.913 1.00 0.00 S +ATOM 47 CE MET A 6 -16.177 10.378 -48.319 1.00 0.00 C +ATOM 48 N PHE A 7 -17.478 9.491 -42.072 1.00 2.10 N +ATOM 49 CA PHE A 7 -16.791 9.045 -40.866 1.00 2.10 C +ATOM 50 C PHE A 7 -17.759 8.348 -39.918 1.00 2.10 C +ATOM 51 CB PHE A 7 -16.122 10.227 -40.158 1.00 2.10 C +ATOM 52 O PHE A 7 -17.410 7.343 -39.294 1.00 2.10 O +ATOM 53 CG PHE A 7 -15.076 9.821 -39.156 1.00 2.10 C +ATOM 54 CD1 PHE A 7 -15.388 9.724 -37.805 1.00 2.10 C +ATOM 55 CD2 PHE A 7 -13.779 9.537 -39.565 1.00 2.10 C +ATOM 56 CE1 PHE A 7 -14.421 9.349 -36.875 1.00 2.10 C +ATOM 57 CE2 PHE A 7 -12.808 9.161 -38.641 1.00 2.10 C +ATOM 58 CZ PHE A 7 -13.131 9.068 -37.297 1.00 2.10 C +ATOM 59 N SER A 8 -18.985 8.734 -39.823 1.00 1.87 N +ATOM 60 CA SER A 8 -19.978 8.110 -38.954 1.00 1.87 C +ATOM 61 C SER A 8 -20.414 6.753 -39.498 1.00 1.87 C +ATOM 62 CB SER A 8 -21.197 9.019 -38.792 1.00 1.87 C +ATOM 63 O SER A 8 -20.527 5.784 -38.745 1.00 1.87 O +ATOM 64 OG SER A 8 -22.236 8.629 -39.673 1.00 1.87 O +ATOM 65 N ALA A 9 -20.614 6.539 -40.849 1.00 2.02 N +ATOM 66 CA ALA A 9 -21.022 5.283 -41.474 1.00 2.02 C +ATOM 67 C ALA A 9 -19.933 4.223 -41.335 1.00 2.02 C +ATOM 68 CB ALA A 9 -21.359 5.506 -42.946 1.00 2.02 C +ATOM 69 O ALA A 9 -20.219 3.069 -41.007 1.00 2.02 O +ATOM 70 N ARG A 10 -18.655 4.645 -41.511 1.00 7.82 N +ATOM 71 CA ARG A 10 -17.545 3.711 -41.350 1.00 7.82 C +ATOM 72 C ARG A 10 -17.432 3.239 -39.904 1.00 7.82 C +ATOM 73 CB ARG A 10 -16.230 4.355 -41.795 1.00 7.82 C +ATOM 74 O ARG A 10 -17.270 2.045 -39.646 1.00 7.82 O +ATOM 75 CG ARG A 10 -15.143 3.354 -42.150 1.00 7.82 C +ATOM 76 CD ARG A 10 -13.921 4.036 -42.750 1.00 7.82 C +ATOM 77 NE ARG A 10 -12.893 3.070 -43.124 1.00 7.82 N +ATOM 78 NH1 ARG A 10 -11.396 4.651 -43.896 1.00 7.82 N +ATOM 79 NH2 ARG A 10 -10.855 2.424 -43.963 1.00 7.82 N +ATOM 80 CZ ARG A 10 -11.717 3.384 -43.660 1.00 7.82 C +ATOM 81 N ARG A 11 -17.656 4.165 -38.946 1.00 0.09 N +ATOM 82 CA ARG A 11 -17.596 3.764 -37.545 1.00 0.09 C +ATOM 83 C ARG A 11 -18.727 2.800 -37.202 1.00 0.09 C +ATOM 84 CB ARG A 11 -17.658 4.990 -36.631 1.00 0.09 C +ATOM 85 O ARG A 11 -18.518 1.820 -36.484 1.00 0.09 O +ATOM 86 CG ARG A 11 -17.236 4.713 -35.197 1.00 0.09 C +ATOM 87 CD ARG A 11 -17.169 5.990 -34.372 1.00 0.09 C +ATOM 88 NE ARG A 11 -16.724 5.726 -33.006 1.00 0.09 N +ATOM 89 NH1 ARG A 11 -16.641 7.949 -32.383 1.00 0.09 N +ATOM 90 NH2 ARG A 11 -16.083 6.311 -30.880 1.00 0.09 N +ATOM 91 CZ ARG A 11 -16.483 6.663 -32.093 1.00 0.09 C +ATOM 92 N HIS A 12 -19.931 2.967 -37.728 1.00 0.00 N +ATOM 93 CA HIS A 12 -21.049 2.069 -37.462 1.00 0.00 C +ATOM 94 C HIS A 12 -20.807 0.692 -38.071 1.00 0.00 C +ATOM 95 CB HIS A 12 -22.352 2.660 -38.004 1.00 0.00 C +ATOM 96 O HIS A 12 -21.087 -0.329 -37.439 1.00 0.00 O +ATOM 97 CG HIS A 12 -23.515 2.500 -37.076 1.00 0.00 C +ATOM 98 CD2 HIS A 12 -24.247 3.418 -36.402 1.00 0.00 C +ATOM 99 ND1 HIS A 12 -24.044 1.270 -36.753 1.00 0.00 N +ATOM 100 CE1 HIS A 12 -25.055 1.438 -35.917 1.00 0.00 C +ATOM 101 NE2 HIS A 12 -25.199 2.732 -35.688 1.00 0.00 N +ATOM 102 N HIS A 13 -20.225 0.592 -39.363 1.00 0.00 N +ATOM 103 CA HIS A 13 -19.928 -0.679 -40.014 1.00 0.00 C +ATOM 104 C HIS A 13 -18.820 -1.428 -39.281 1.00 0.00 C +ATOM 105 CB HIS A 13 -19.532 -0.453 -41.474 1.00 0.00 C +ATOM 106 O HIS A 13 -18.899 -2.646 -39.106 1.00 0.00 O +ATOM 107 CG HIS A 13 -19.430 -1.714 -42.271 1.00 0.00 C +ATOM 108 CD2 HIS A 13 -19.614 -1.950 -43.591 1.00 0.00 C +ATOM 109 ND1 HIS A 13 -19.105 -2.928 -41.704 1.00 0.00 N +ATOM 110 CE1 HIS A 13 -19.093 -3.857 -42.645 1.00 0.00 C +ATOM 111 NE2 HIS A 13 -19.399 -3.290 -43.799 1.00 0.00 N +ATOM 112 N GLU A 14 -17.786 -0.675 -38.767 1.00 0.00 N +ATOM 113 CA GLU A 14 -16.724 -1.292 -37.978 1.00 0.00 C +ATOM 114 C GLU A 14 -17.249 -1.778 -36.630 1.00 0.00 C +ATOM 115 CB GLU A 14 -15.569 -0.309 -37.769 1.00 0.00 C +ATOM 116 O GLU A 14 -16.884 -2.861 -36.170 1.00 0.00 O +ATOM 117 CG GLU A 14 -14.674 -0.143 -38.989 1.00 0.00 C +ATOM 118 CD GLU A 14 -13.643 0.964 -38.830 1.00 0.00 C +ATOM 119 OE1 GLU A 14 -13.659 1.664 -37.793 1.00 0.00 O +ATOM 120 OE2 GLU A 14 -12.814 1.132 -39.752 1.00 0.00 O +ATOM 121 N GLU A 15 -18.205 -1.035 -36.010 1.00 0.00 N +ATOM 122 CA GLU A 15 -18.822 -1.464 -34.759 1.00 0.00 C +ATOM 123 C GLU A 15 -19.715 -2.682 -34.973 1.00 0.00 C +ATOM 124 CB GLU A 15 -19.631 -0.322 -34.138 1.00 0.00 C +ATOM 125 O GLU A 15 -19.717 -3.608 -34.159 1.00 0.00 O +ATOM 126 CG GLU A 15 -18.780 0.712 -33.415 1.00 0.00 C +ATOM 127 CD GLU A 15 -19.598 1.825 -32.779 1.00 0.00 C +ATOM 128 OE1 GLU A 15 -20.842 1.822 -32.925 1.00 0.00 O +ATOM 129 OE2 GLU A 15 -18.991 2.706 -32.131 1.00 0.00 O +ATOM 130 N GLU A 16 -20.518 -2.767 -36.103 1.00 0.00 N +ATOM 131 CA GLU A 16 -21.379 -3.907 -36.406 1.00 0.00 C +ATOM 132 C GLU A 16 -20.556 -5.148 -36.737 1.00 0.00 C +ATOM 133 CB GLU A 16 -22.322 -3.576 -37.565 1.00 0.00 C +ATOM 134 O GLU A 16 -20.846 -6.241 -36.246 1.00 0.00 O +ATOM 135 CG GLU A 16 -23.629 -2.929 -37.130 1.00 0.00 C +ATOM 136 CD GLU A 16 -24.671 -2.878 -38.236 1.00 0.00 C +ATOM 137 OE1 GLU A 16 -24.290 -2.879 -39.429 1.00 0.00 O +ATOM 138 OE2 GLU A 16 -25.877 -2.835 -37.907 1.00 0.00 O +ATOM 139 N THR A 17 -19.468 -5.015 -37.520 1.00 0.00 N +ATOM 140 CA THR A 17 -18.570 -6.115 -37.854 1.00 0.00 C +ATOM 141 C THR A 17 -17.876 -6.645 -36.602 1.00 0.00 C +ATOM 142 CB THR A 17 -17.512 -5.680 -38.885 1.00 0.00 C +ATOM 143 O THR A 17 -17.746 -7.858 -36.425 1.00 0.00 O +ATOM 144 CG2 THR A 17 -18.067 -5.751 -40.304 1.00 0.00 C +ATOM 145 OG1 THR A 17 -17.109 -4.334 -38.608 1.00 0.00 O +ATOM 146 N THR A 18 -17.469 -5.726 -35.673 1.00 0.00 N +ATOM 147 CA THR A 18 -16.875 -6.111 -34.397 1.00 0.00 C +ATOM 148 C THR A 18 -17.903 -6.809 -33.511 1.00 0.00 C +ATOM 149 CB THR A 18 -16.301 -4.889 -33.657 1.00 0.00 C +ATOM 150 O THR A 18 -17.601 -7.826 -32.884 1.00 0.00 O +ATOM 151 CG2 THR A 18 -15.529 -5.313 -32.412 1.00 0.00 C +ATOM 152 OG1 THR A 18 -15.418 -4.178 -34.533 1.00 0.00 O +ATOM 153 N ARG A 19 -19.153 -6.351 -33.477 1.00 1.80 N +ATOM 154 CA ARG A 19 -20.217 -6.988 -32.708 1.00 1.80 C +ATOM 155 C ARG A 19 -20.574 -8.351 -33.293 1.00 1.80 C +ATOM 156 CB ARG A 19 -21.459 -6.095 -32.666 1.00 1.80 C +ATOM 157 O ARG A 19 -20.730 -9.327 -32.556 1.00 1.80 O +ATOM 158 CG ARG A 19 -21.368 -4.962 -31.656 1.00 1.80 C +ATOM 159 CD ARG A 19 -22.628 -4.107 -31.653 1.00 1.80 C +ATOM 160 NE ARG A 19 -22.549 -3.034 -30.665 1.00 1.80 N +ATOM 161 NH1 ARG A 19 -24.769 -2.423 -30.847 1.00 1.80 N +ATOM 162 NH2 ARG A 19 -23.385 -1.313 -29.396 1.00 1.80 N +ATOM 163 CZ ARG A 19 -23.568 -2.259 -30.305 1.00 1.80 C +ATOM 164 N ALA A 20 -20.744 -8.518 -34.657 1.00 0.27 N +ATOM 165 CA ALA A 20 -21.049 -9.779 -35.328 1.00 0.27 C +ATOM 166 C ALA A 20 -19.925 -10.792 -35.130 1.00 0.27 C +ATOM 167 CB ALA A 20 -21.294 -9.545 -36.817 1.00 0.27 C +ATOM 168 O ALA A 20 -20.182 -11.977 -34.903 1.00 0.27 O +ATOM 169 N SER A 21 -18.640 -10.374 -35.179 1.00 0.01 N +ATOM 170 CA SER A 21 -17.498 -11.250 -34.941 1.00 0.01 C +ATOM 171 C SER A 21 -17.501 -11.786 -33.513 1.00 0.01 C +ATOM 172 CB SER A 21 -16.188 -10.511 -35.214 1.00 0.01 C +ATOM 173 O SER A 21 -17.214 -12.963 -33.286 1.00 0.01 O +ATOM 174 OG SER A 21 -16.027 -9.425 -34.317 1.00 0.01 O +ATOM 175 N ILE A 22 -17.921 -10.948 -32.503 1.00 0.14 N +ATOM 176 CA ILE A 22 -17.996 -11.369 -31.109 1.00 0.14 C +ATOM 177 C ILE A 22 -19.096 -12.416 -30.944 1.00 0.14 C +ATOM 178 CB ILE A 22 -18.253 -10.170 -30.169 1.00 0.14 C +ATOM 179 O ILE A 22 -18.919 -13.402 -30.224 1.00 0.14 O +ATOM 180 CG1 ILE A 22 -17.027 -9.250 -30.131 1.00 0.14 C +ATOM 181 CG2 ILE A 22 -18.619 -10.654 -28.763 1.00 0.14 C +ATOM 182 CD1 ILE A 22 -17.286 -7.901 -29.474 1.00 0.14 C +ATOM 183 N PHE A 23 -20.229 -12.361 -31.659 1.00 0.27 N +ATOM 184 CA PHE A 23 -21.388 -13.224 -31.467 1.00 0.27 C +ATOM 185 C PHE A 23 -21.220 -14.533 -32.229 1.00 0.27 C +ATOM 186 CB PHE A 23 -22.669 -12.515 -31.917 1.00 0.27 C +ATOM 187 O PHE A 23 -21.699 -15.580 -31.788 1.00 0.27 O +ATOM 188 CG PHE A 23 -23.491 -11.968 -30.782 1.00 0.27 C +ATOM 189 CD1 PHE A 23 -24.320 -12.801 -30.041 1.00 0.27 C +ATOM 190 CD2 PHE A 23 -23.435 -10.619 -30.455 1.00 0.27 C +ATOM 191 CE1 PHE A 23 -25.082 -12.298 -28.990 1.00 0.27 C +ATOM 192 CE2 PHE A 23 -24.194 -10.109 -29.406 1.00 0.27 C +ATOM 193 CZ PHE A 23 -25.018 -10.949 -28.675 1.00 0.27 C +ATOM 194 N THR A 24 -20.666 -14.545 -33.499 1.00 0.03 N +ATOM 195 CA THR A 24 -20.523 -15.740 -34.323 1.00 0.03 C +ATOM 196 C THR A 24 -19.519 -16.707 -33.702 1.00 0.03 C +ATOM 197 CB THR A 24 -20.077 -15.382 -35.753 1.00 0.03 C +ATOM 198 O THR A 24 -19.573 -17.912 -33.955 1.00 0.03 O +ATOM 199 CG2 THR A 24 -21.279 -15.211 -36.676 1.00 0.03 C +ATOM 200 OG1 THR A 24 -19.334 -14.157 -35.723 1.00 0.03 O +ATOM 201 N TYR A 25 -18.693 -16.249 -32.733 1.00 0.00 N +ATOM 202 CA TYR A 25 -17.681 -17.044 -32.046 1.00 0.00 C +ATOM 203 C TYR A 25 -18.319 -17.950 -30.998 1.00 0.00 C +ATOM 204 CB TYR A 25 -16.640 -16.136 -31.386 1.00 0.00 C +ATOM 205 O TYR A 25 -17.751 -18.983 -30.634 1.00 0.00 O +ATOM 206 CG TYR A 25 -15.250 -16.293 -31.954 1.00 0.00 C +ATOM 207 CD1 TYR A 25 -14.366 -17.236 -31.434 1.00 0.00 C +ATOM 208 CD2 TYR A 25 -14.818 -15.500 -33.011 1.00 0.00 C +ATOM 209 CE1 TYR A 25 -13.084 -17.383 -31.953 1.00 0.00 C +ATOM 210 CE2 TYR A 25 -13.538 -15.638 -33.538 1.00 0.00 C +ATOM 211 OH TYR A 25 -11.412 -16.723 -33.521 1.00 0.00 O +ATOM 212 CZ TYR A 25 -12.680 -16.581 -33.003 1.00 0.00 C +ATOM 213 N THR A 26 -19.583 -17.738 -30.579 1.00 0.58 N +ATOM 214 CA THR A 26 -20.261 -18.514 -29.547 1.00 0.58 C +ATOM 215 C THR A 26 -20.808 -19.817 -30.123 1.00 0.58 C +ATOM 216 CB THR A 26 -21.409 -17.711 -28.908 1.00 0.58 C +ATOM 217 O THR A 26 -21.181 -20.724 -29.375 1.00 0.58 O +ATOM 218 CG2 THR A 26 -20.870 -16.568 -28.053 1.00 0.58 C +ATOM 219 OG1 THR A 26 -22.239 -17.169 -29.942 1.00 0.58 O +ATOM 220 N ASN A 27 -20.719 -19.992 -31.489 1.00 0.00 N +ATOM 221 CA ASN A 27 -21.601 -21.075 -31.909 1.00 0.00 C +ATOM 222 C ASN A 27 -20.819 -22.220 -32.547 1.00 0.00 C +ATOM 223 CB ASN A 27 -22.666 -20.556 -32.878 1.00 0.00 C +ATOM 224 O ASN A 27 -21.382 -23.277 -32.835 1.00 0.00 O +ATOM 225 CG ASN A 27 -23.981 -21.298 -32.752 1.00 0.00 C +ATOM 226 ND2 ASN A 27 -24.914 -21.009 -33.652 1.00 0.00 N +ATOM 227 OD1 ASN A 27 -24.158 -22.125 -31.854 1.00 0.00 O +ATOM 228 N ASN A 28 -19.442 -22.061 -32.686 1.00 0.21 N +ATOM 229 CA ASN A 28 -18.610 -23.121 -33.246 1.00 0.21 C +ATOM 230 C ASN A 28 -17.900 -23.913 -32.152 1.00 0.21 C +ATOM 231 CB ASN A 28 -17.591 -22.542 -34.229 1.00 0.21 C +ATOM 232 O ASN A 28 -16.990 -23.399 -31.499 1.00 0.21 O +ATOM 233 CG ASN A 28 -17.380 -23.428 -35.441 1.00 0.21 C +ATOM 234 ND2 ASN A 28 -16.590 -22.950 -36.395 1.00 0.21 N +ATOM 235 OD1 ASN A 28 -17.922 -24.534 -35.519 1.00 0.21 O +ATOM 236 N ASN A 29 -18.292 -25.089 -31.720 1.00 1.26 N +ATOM 237 CA ASN A 29 -17.878 -26.072 -30.724 1.00 1.26 C +ATOM 238 C ASN A 29 -16.391 -26.394 -30.837 1.00 1.26 C +ATOM 239 CB ASN A 29 -18.709 -27.350 -30.853 1.00 1.26 C +ATOM 240 O ASN A 29 -15.870 -27.218 -30.084 1.00 1.26 O +ATOM 241 CG ASN A 29 -20.077 -27.225 -30.211 1.00 1.26 C +ATOM 242 ND2 ASN A 29 -20.959 -28.173 -30.505 1.00 1.26 N +ATOM 243 OD1 ASN A 29 -20.339 -26.284 -29.458 1.00 1.26 O +ATOM 244 N ASN A 30 -15.578 -25.733 -31.636 1.00 0.10 N +ATOM 245 CA ASN A 30 -14.126 -25.594 -31.635 1.00 0.10 C +ATOM 246 C ASN A 30 -13.699 -24.165 -31.313 1.00 0.10 C +ATOM 247 CB ASN A 30 -13.543 -26.031 -32.981 1.00 0.10 C +ATOM 248 O ASN A 30 -13.079 -23.496 -32.141 1.00 0.10 O +ATOM 249 CG ASN A 30 -13.334 -27.530 -33.067 1.00 0.10 C +ATOM 250 ND2 ASN A 30 -13.237 -28.046 -34.287 1.00 0.10 N +ATOM 251 OD1 ASN A 30 -13.262 -28.219 -32.046 1.00 0.10 O +ATOM 252 N THR A 31 -14.245 -23.568 -30.256 1.00 0.14 N +ATOM 253 CA THR A 31 -14.137 -22.246 -29.649 1.00 0.14 C +ATOM 254 C THR A 31 -12.730 -22.012 -29.109 1.00 0.14 C +ATOM 255 CB THR A 31 -15.162 -22.067 -28.514 1.00 0.14 C +ATOM 256 O THR A 31 -12.496 -22.116 -27.903 1.00 0.14 O +ATOM 257 CG2 THR A 31 -16.580 -21.954 -29.065 1.00 0.14 C +ATOM 258 OG1 THR A 31 -15.092 -23.195 -27.633 1.00 0.14 O +ATOM 259 N ARG A 32 -11.686 -22.242 -29.975 1.00 0.03 N +ATOM 260 CA ARG A 32 -10.538 -21.449 -29.547 1.00 0.03 C +ATOM 261 C ARG A 32 -10.932 -19.994 -29.318 1.00 0.03 C +ATOM 262 CB ARG A 32 -9.412 -21.532 -30.580 1.00 0.03 C +ATOM 263 O ARG A 32 -11.289 -19.286 -30.263 1.00 0.03 O +ATOM 264 CG ARG A 32 -8.712 -22.880 -30.623 1.00 0.03 C +ATOM 265 CD ARG A 32 -7.565 -22.889 -31.624 1.00 0.03 C +ATOM 266 NE ARG A 32 -6.876 -24.176 -31.642 1.00 0.03 N +ATOM 267 NH1 ARG A 32 -5.358 -23.574 -33.275 1.00 0.03 N +ATOM 268 NH2 ARG A 32 -5.290 -25.674 -32.360 1.00 0.03 N +ATOM 269 CZ ARG A 32 -5.843 -24.472 -32.426 1.00 0.03 C +ATOM 270 N ASP A 33 -11.223 -19.566 -28.092 1.00 0.15 N +ATOM 271 CA ASP A 33 -11.391 -18.177 -27.676 1.00 0.15 C +ATOM 272 C ASP A 33 -10.525 -17.243 -28.518 1.00 0.15 C +ATOM 273 CB ASP A 33 -11.051 -18.016 -26.193 1.00 0.15 C +ATOM 274 O ASP A 33 -9.302 -17.395 -28.563 1.00 0.15 O +ATOM 275 CG ASP A 33 -11.658 -16.767 -25.578 1.00 0.15 C +ATOM 276 OD1 ASP A 33 -11.884 -15.777 -26.306 1.00 0.15 O +ATOM 277 OD2 ASP A 33 -11.910 -16.773 -24.353 1.00 0.15 O +ATOM 278 N PRO A 34 -11.114 -16.450 -29.519 1.00 0.06 N +ATOM 279 CA PRO A 34 -10.297 -15.598 -30.387 1.00 0.06 C +ATOM 280 C PRO A 34 -9.311 -14.733 -29.606 1.00 0.06 C +ATOM 281 CB PRO A 34 -11.333 -14.731 -31.106 1.00 0.06 C +ATOM 282 O PRO A 34 -8.374 -14.180 -30.188 1.00 0.06 O +ATOM 283 CG PRO A 34 -12.510 -14.699 -30.185 1.00 0.06 C +ATOM 284 CD PRO A 34 -12.592 -16.017 -29.470 1.00 0.06 C +ATOM 285 N PHE A 35 -9.560 -14.796 -28.356 1.00 0.01 N +ATOM 286 CA PHE A 35 -8.717 -13.929 -27.541 1.00 0.01 C +ATOM 287 C PHE A 35 -7.502 -14.688 -27.021 1.00 0.01 C +ATOM 288 CB PHE A 35 -9.515 -13.350 -26.369 1.00 0.01 C +ATOM 289 O PHE A 35 -6.553 -14.082 -26.520 1.00 0.01 O +ATOM 290 CG PHE A 35 -10.651 -12.457 -26.790 1.00 0.01 C +ATOM 291 CD1 PHE A 35 -10.403 -11.190 -27.305 1.00 0.01 C +ATOM 292 CD2 PHE A 35 -11.967 -12.884 -26.671 1.00 0.01 C +ATOM 293 CE1 PHE A 35 -11.452 -10.361 -27.696 1.00 0.01 C +ATOM 294 CE2 PHE A 35 -13.020 -12.061 -27.059 1.00 0.01 C +ATOM 295 CZ PHE A 35 -12.761 -10.800 -27.570 1.00 0.01 C +ATOM 296 N VAL A 36 -7.508 -15.999 -27.091 1.00 0.00 N +ATOM 297 CA VAL A 36 -6.337 -16.834 -26.845 1.00 0.00 C +ATOM 298 C VAL A 36 -5.538 -16.996 -28.136 1.00 0.00 C +ATOM 299 CB VAL A 36 -6.735 -18.219 -26.288 1.00 0.00 C +ATOM 300 O VAL A 36 -5.771 -17.931 -28.906 1.00 0.00 O +ATOM 301 CG1 VAL A 36 -5.494 -19.023 -25.904 1.00 0.00 C +ATOM 302 CG2 VAL A 36 -7.666 -18.063 -25.087 1.00 0.00 C +ATOM 303 N GLY A 37 -4.751 -16.036 -28.365 1.00 0.04 N +ATOM 304 CA GLY A 37 -3.782 -16.171 -29.441 1.00 0.04 C +ATOM 305 C GLY A 37 -3.079 -17.515 -29.445 1.00 0.04 C +ATOM 306 O GLY A 37 -2.919 -18.141 -28.395 1.00 0.04 O +ATOM 307 N PRO A 38 -2.752 -18.141 -30.560 1.00 0.07 N +ATOM 308 CA PRO A 38 -2.294 -19.528 -30.677 1.00 0.07 C +ATOM 309 C PRO A 38 -1.034 -19.805 -29.861 1.00 0.07 C +ATOM 310 CB PRO A 38 -2.020 -19.684 -32.175 1.00 0.07 C +ATOM 311 O PRO A 38 -0.606 -20.957 -29.749 1.00 0.07 O +ATOM 312 CG PRO A 38 -1.767 -18.294 -32.663 1.00 0.07 C +ATOM 313 CD PRO A 38 -2.580 -17.342 -31.834 1.00 0.07 C +ATOM 314 N ASN A 39 -0.452 -18.772 -29.284 1.00 0.04 N +ATOM 315 CA ASN A 39 0.873 -18.894 -28.686 1.00 0.04 C +ATOM 316 C ASN A 39 0.815 -18.780 -27.165 1.00 0.04 C +ATOM 317 CB ASN A 39 1.822 -17.841 -29.262 1.00 0.04 C +ATOM 318 O ASN A 39 1.849 -18.644 -26.509 1.00 0.04 O +ATOM 319 CG ASN A 39 2.141 -18.079 -30.724 1.00 0.04 C +ATOM 320 ND2 ASN A 39 2.533 -17.023 -31.426 1.00 0.04 N +ATOM 321 OD1 ASN A 39 2.035 -19.204 -31.220 1.00 0.04 O +ATOM 322 N TYR A 40 -0.442 -18.718 -26.641 1.00 0.52 N +ATOM 323 CA TYR A 40 -0.497 -18.891 -25.194 1.00 0.52 C +ATOM 324 C TYR A 40 -0.250 -20.345 -24.809 1.00 0.52 C +ATOM 325 CB TYR A 40 -1.851 -18.429 -24.648 1.00 0.52 C +ATOM 326 O TYR A 40 -1.196 -21.101 -24.577 1.00 0.52 O +ATOM 327 CG TYR A 40 -1.999 -16.928 -24.584 1.00 0.52 C +ATOM 328 CD1 TYR A 40 -1.517 -16.207 -23.494 1.00 0.52 C +ATOM 329 CD2 TYR A 40 -2.623 -16.228 -25.611 1.00 0.52 C +ATOM 330 CE1 TYR A 40 -1.653 -14.824 -23.429 1.00 0.52 C +ATOM 331 CE2 TYR A 40 -2.764 -14.845 -25.557 1.00 0.52 C +ATOM 332 OH TYR A 40 -2.414 -12.784 -24.405 1.00 0.52 O +ATOM 333 CZ TYR A 40 -2.277 -14.153 -24.464 1.00 0.52 C +ATOM 334 N ASP A 41 1.032 -20.812 -25.089 1.00 2.52 N +ATOM 335 CA ASP A 41 1.410 -22.002 -24.332 1.00 2.52 C +ATOM 336 C ASP A 41 0.817 -21.970 -22.926 1.00 2.52 C +ATOM 337 CB ASP A 41 2.933 -22.130 -24.258 1.00 2.52 C +ATOM 338 O ASP A 41 1.213 -21.147 -22.098 1.00 2.52 O +ATOM 339 CG ASP A 41 3.549 -22.637 -25.550 1.00 2.52 C +ATOM 340 OD1 ASP A 41 2.878 -23.387 -26.293 1.00 2.52 O +ATOM 341 OD2 ASP A 41 4.717 -22.287 -25.827 1.00 2.52 O +ATOM 342 N ILE A 42 -0.188 -22.722 -22.724 1.00 0.01 N +ATOM 343 CA ILE A 42 -0.855 -22.890 -21.438 1.00 0.01 C +ATOM 344 C ILE A 42 0.176 -23.221 -20.361 1.00 0.01 C +ATOM 345 CB ILE A 42 -1.936 -23.993 -21.502 1.00 0.01 C +ATOM 346 O ILE A 42 0.833 -24.263 -20.422 1.00 0.01 O +ATOM 347 CG1 ILE A 42 -2.937 -23.695 -22.624 1.00 0.01 C +ATOM 348 CG2 ILE A 42 -2.649 -24.129 -20.154 1.00 0.01 C +ATOM 349 CD1 ILE A 42 -3.924 -24.823 -22.889 1.00 0.01 C +ATOM 350 N ALA A 43 0.745 -22.098 -19.722 1.00 1.34 N +ATOM 351 CA ALA A 43 1.511 -22.454 -18.530 1.00 1.34 C +ATOM 352 C ALA A 43 1.051 -23.794 -17.962 1.00 1.34 C +ATOM 353 CB ALA A 43 1.389 -21.361 -17.472 1.00 1.34 C +ATOM 354 O ALA A 43 -0.149 -24.078 -17.920 1.00 1.34 O +ATOM 355 N PRO A 44 1.940 -24.736 -17.656 1.00 1.32 N +ATOM 356 CA PRO A 44 1.531 -26.007 -17.053 1.00 1.32 C +ATOM 357 C PRO A 44 0.571 -25.822 -15.880 1.00 1.32 C +ATOM 358 CB PRO A 44 2.855 -26.617 -16.585 1.00 1.32 C +ATOM 359 O PRO A 44 0.743 -24.902 -15.077 1.00 1.32 O +ATOM 360 CG PRO A 44 3.895 -25.985 -17.453 1.00 1.32 C +ATOM 361 CD PRO A 44 3.458 -24.585 -17.778 1.00 1.32 C +ATOM 362 N ARG A 45 -0.457 -26.669 -15.666 1.00 0.00 N +ATOM 363 CA ARG A 45 -1.548 -26.590 -14.700 1.00 0.00 C +ATOM 364 C ARG A 45 -1.014 -26.394 -13.285 1.00 0.00 C +ATOM 365 CB ARG A 45 -2.415 -27.849 -14.763 1.00 0.00 C +ATOM 366 O ARG A 45 -1.650 -25.733 -12.461 1.00 0.00 O +ATOM 367 CG ARG A 45 -3.628 -27.808 -13.847 1.00 0.00 C +ATOM 368 CD ARG A 45 -4.546 -29.002 -14.073 1.00 0.00 C +ATOM 369 NE ARG A 45 -5.729 -28.941 -13.220 1.00 0.00 N +ATOM 370 NH1 ARG A 45 -6.655 -30.904 -14.012 1.00 0.00 N +ATOM 371 NH2 ARG A 45 -7.736 -29.693 -12.393 1.00 0.00 N +ATOM 372 CZ ARG A 45 -6.704 -29.846 -13.210 1.00 0.00 C +ATOM 373 N TRP A 46 0.253 -26.875 -12.952 1.00 0.00 N +ATOM 374 CA TRP A 46 0.859 -26.776 -11.629 1.00 0.00 C +ATOM 375 C TRP A 46 1.239 -25.334 -11.310 1.00 0.00 C +ATOM 376 CB TRP A 46 2.094 -27.675 -11.534 1.00 0.00 C +ATOM 377 O TRP A 46 1.194 -24.915 -10.151 1.00 0.00 O +ATOM 378 CG TRP A 46 3.210 -27.276 -12.453 1.00 0.00 C +ATOM 379 CD1 TRP A 46 3.507 -27.817 -13.673 1.00 0.00 C +ATOM 380 CD2 TRP A 46 4.182 -26.252 -12.221 1.00 0.00 C +ATOM 381 CE2 TRP A 46 5.038 -26.226 -13.344 1.00 0.00 C +ATOM 382 CE3 TRP A 46 4.412 -25.352 -11.171 1.00 0.00 C +ATOM 383 NE1 TRP A 46 4.605 -27.190 -14.214 1.00 0.00 N +ATOM 384 CH2 TRP A 46 6.311 -24.465 -12.406 1.00 0.00 C +ATOM 385 CZ2 TRP A 46 6.108 -25.334 -13.447 1.00 0.00 C +ATOM 386 CZ3 TRP A 46 5.477 -24.465 -11.276 1.00 0.00 C +ATOM 387 N VAL A 47 1.535 -24.520 -12.289 1.00 0.12 N +ATOM 388 CA VAL A 47 1.824 -23.103 -12.096 1.00 0.12 C +ATOM 389 C VAL A 47 0.557 -22.372 -11.658 1.00 0.12 C +ATOM 390 CB VAL A 47 2.394 -22.459 -13.380 1.00 0.12 C +ATOM 391 O VAL A 47 0.571 -21.628 -10.674 1.00 0.12 O +ATOM 392 CG1 VAL A 47 2.622 -20.962 -13.178 1.00 0.12 C +ATOM 393 CG2 VAL A 47 3.692 -23.150 -13.792 1.00 0.12 C +ATOM 394 N TYR A 48 -0.611 -22.679 -12.307 1.00 0.01 N +ATOM 395 CA TYR A 48 -1.896 -22.099 -11.934 1.00 0.01 C +ATOM 396 C TYR A 48 -2.297 -22.521 -10.526 1.00 0.01 C +ATOM 397 CB TYR A 48 -2.983 -22.512 -12.932 1.00 0.01 C +ATOM 398 O TYR A 48 -2.710 -21.688 -9.715 1.00 0.01 O +ATOM 399 CG TYR A 48 -2.816 -21.897 -14.300 1.00 0.01 C +ATOM 400 CD1 TYR A 48 -3.165 -20.569 -14.536 1.00 0.01 C +ATOM 401 CD2 TYR A 48 -2.310 -22.643 -15.360 1.00 0.01 C +ATOM 402 CE1 TYR A 48 -3.014 -19.999 -15.796 1.00 0.01 C +ATOM 403 CE2 TYR A 48 -2.156 -22.083 -16.624 1.00 0.01 C +ATOM 404 OH TYR A 48 -2.359 -20.203 -18.081 1.00 0.01 O +ATOM 405 CZ TYR A 48 -2.510 -20.763 -16.832 1.00 0.01 C +ATOM 406 N ASN A 49 -2.085 -23.746 -10.235 1.00 0.13 N +ATOM 407 CA ASN A 49 -2.352 -24.265 -8.897 1.00 0.13 C +ATOM 408 C ASN A 49 -1.450 -23.614 -7.853 1.00 0.13 C +ATOM 409 CB ASN A 49 -2.186 -25.786 -8.869 1.00 0.13 C +ATOM 410 O ASN A 49 -1.922 -23.187 -6.798 1.00 0.13 O +ATOM 411 CG ASN A 49 -3.267 -26.507 -9.650 1.00 0.13 C +ATOM 412 ND2 ASN A 49 -3.071 -27.800 -9.879 1.00 0.13 N +ATOM 413 OD1 ASN A 49 -4.269 -25.906 -10.046 1.00 0.13 O +ATOM 414 N ALA A 50 -0.177 -23.420 -8.146 1.00 0.27 N +ATOM 415 CA ALA A 50 0.775 -22.767 -7.250 1.00 0.27 C +ATOM 416 C ALA A 50 0.406 -21.303 -7.031 1.00 0.27 C +ATOM 417 CB ALA A 50 2.192 -22.879 -7.806 1.00 0.27 C +ATOM 418 O ALA A 50 0.380 -20.826 -5.893 1.00 0.27 O +ATOM 419 N CYS A 51 -0.033 -20.622 -8.065 1.00 0.08 N +ATOM 420 CA CYS A 51 -0.498 -19.241 -7.996 1.00 0.08 C +ATOM 421 C CYS A 51 -1.775 -19.136 -7.170 1.00 0.08 C +ATOM 422 CB CYS A 51 -0.741 -18.687 -9.400 1.00 0.08 C +ATOM 423 O CYS A 51 -1.908 -18.237 -6.338 1.00 0.08 O +ATOM 424 SG CYS A 51 0.773 -18.400 -10.342 1.00 0.08 S +ATOM 425 N THR A 52 -2.659 -20.052 -7.261 1.00 0.26 N +ATOM 426 CA THR A 52 -3.898 -20.107 -6.493 1.00 0.26 C +ATOM 427 C THR A 52 -3.607 -20.348 -5.015 1.00 0.26 C +ATOM 428 CB THR A 52 -4.833 -21.210 -7.021 1.00 0.26 C +ATOM 429 O THR A 52 -4.113 -19.628 -4.152 1.00 0.26 O +ATOM 430 CG2 THR A 52 -6.140 -21.245 -6.236 1.00 0.26 C +ATOM 431 OG1 THR A 52 -5.125 -20.960 -8.402 1.00 0.26 O +ATOM 432 N VAL A 53 -2.734 -21.279 -4.770 1.00 0.07 N +ATOM 433 CA VAL A 53 -2.338 -21.579 -3.398 1.00 0.07 C +ATOM 434 C VAL A 53 -1.656 -20.361 -2.778 1.00 0.07 C +ATOM 435 CB VAL A 53 -1.401 -22.805 -3.333 1.00 0.07 C +ATOM 436 O VAL A 53 -1.983 -19.962 -1.658 1.00 0.07 O +ATOM 437 CG1 VAL A 53 -0.803 -22.955 -1.935 1.00 0.07 C +ATOM 438 CG2 VAL A 53 -2.152 -24.073 -3.734 1.00 0.07 C +ATOM 439 N TRP A 54 -0.810 -19.721 -3.490 1.00 5.48 N +ATOM 440 CA TRP A 54 -0.149 -18.496 -3.050 1.00 5.48 C +ATOM 441 C TRP A 54 -1.168 -17.393 -2.783 1.00 5.48 C +ATOM 442 CB TRP A 54 0.867 -18.028 -4.095 1.00 5.48 C +ATOM 443 O TRP A 54 -1.144 -16.761 -1.724 1.00 5.48 O +ATOM 444 CG TRP A 54 1.494 -16.702 -3.784 1.00 5.48 C +ATOM 445 CD1 TRP A 54 1.264 -15.513 -4.418 1.00 5.48 C +ATOM 446 CD2 TRP A 54 2.458 -16.432 -2.762 1.00 5.48 C +ATOM 447 CE2 TRP A 54 2.769 -15.056 -2.834 1.00 5.48 C +ATOM 448 CE3 TRP A 54 3.090 -17.221 -1.791 1.00 5.48 C +ATOM 449 NE1 TRP A 54 2.028 -14.519 -3.851 1.00 5.48 N +ATOM 450 CH2 TRP A 54 4.289 -15.246 -1.029 1.00 5.48 C +ATOM 451 CZ2 TRP A 54 3.686 -14.452 -1.970 1.00 5.48 C +ATOM 452 CZ3 TRP A 54 4.001 -16.618 -0.932 1.00 5.48 C +ATOM 453 N MET A 55 -2.190 -17.208 -3.655 1.00 0.02 N +ATOM 454 CA MET A 55 -3.219 -16.184 -3.503 1.00 0.02 C +ATOM 455 C MET A 55 -4.086 -16.460 -2.279 1.00 0.02 C +ATOM 456 CB MET A 55 -4.092 -16.108 -4.756 1.00 0.02 C +ATOM 457 O MET A 55 -4.364 -15.554 -1.492 1.00 0.02 O +ATOM 458 CG MET A 55 -3.414 -15.429 -5.936 1.00 0.02 C +ATOM 459 SD MET A 55 -2.976 -13.682 -5.584 1.00 0.02 S +ATOM 460 CE MET A 55 -4.633 -12.955 -5.458 1.00 0.02 C +ATOM 461 N ILE A 56 -4.420 -17.722 -2.072 1.00 0.00 N +ATOM 462 CA ILE A 56 -5.173 -18.116 -0.887 1.00 0.00 C +ATOM 463 C ILE A 56 -4.360 -17.806 0.368 1.00 0.00 C +ATOM 464 CB ILE A 56 -5.546 -19.615 -0.927 1.00 0.00 C +ATOM 465 O ILE A 56 -4.878 -17.219 1.321 1.00 0.00 O +ATOM 466 CG1 ILE A 56 -6.583 -19.879 -2.025 1.00 0.00 C +ATOM 467 CG2 ILE A 56 -6.063 -20.080 0.438 1.00 0.00 C +ATOM 468 CD1 ILE A 56 -6.774 -21.352 -2.356 1.00 0.00 C +ATOM 469 N PHE A 57 -3.072 -18.109 0.358 1.00 0.25 N +ATOM 470 CA PHE A 57 -2.172 -17.784 1.459 1.00 0.25 C +ATOM 471 C PHE A 57 -2.115 -16.278 1.684 1.00 0.25 C +ATOM 472 CB PHE A 57 -0.767 -18.328 1.185 1.00 0.25 C +ATOM 473 O PHE A 57 -2.286 -15.806 2.811 1.00 0.25 O +ATOM 474 CG PHE A 57 0.264 -17.876 2.184 1.00 0.25 C +ATOM 475 CD1 PHE A 57 0.369 -18.496 3.424 1.00 0.25 C +ATOM 476 CD2 PHE A 57 1.129 -16.832 1.884 1.00 0.25 C +ATOM 477 CE1 PHE A 57 1.322 -18.081 4.351 1.00 0.25 C +ATOM 478 CE2 PHE A 57 2.084 -16.411 2.805 1.00 0.25 C +ATOM 479 CZ PHE A 57 2.178 -17.036 4.038 1.00 0.25 C +ATOM 480 N VAL A 58 -1.949 -15.451 0.638 1.00 0.00 N +ATOM 481 CA VAL A 58 -1.880 -13.995 0.712 1.00 0.00 C +ATOM 482 C VAL A 58 -3.187 -13.443 1.275 1.00 0.00 C +ATOM 483 CB VAL A 58 -1.590 -13.370 -0.671 1.00 0.00 C +ATOM 484 O VAL A 58 -3.175 -12.585 2.162 1.00 0.00 O +ATOM 485 CG1 VAL A 58 -1.805 -11.858 -0.637 1.00 0.00 C +ATOM 486 CG2 VAL A 58 -0.166 -13.700 -1.117 1.00 0.00 C +ATOM 487 N VAL A 59 -4.324 -13.942 0.919 1.00 1.51 N +ATOM 488 CA VAL A 59 -5.631 -13.518 1.410 1.00 1.51 C +ATOM 489 C VAL A 59 -5.729 -13.779 2.911 1.00 1.51 C +ATOM 490 CB VAL A 59 -6.778 -14.239 0.667 1.00 1.51 C +ATOM 491 O VAL A 59 -6.008 -12.865 3.690 1.00 1.51 O +ATOM 492 CG1 VAL A 59 -8.116 -13.976 1.356 1.00 1.51 C +ATOM 493 CG2 VAL A 59 -6.829 -13.795 -0.794 1.00 1.51 C +ATOM 494 N ILE A 60 -5.445 -15.026 3.311 1.00 0.69 N +ATOM 495 CA ILE A 60 -5.552 -15.412 4.714 1.00 0.69 C +ATOM 496 C ILE A 60 -4.593 -14.572 5.555 1.00 0.69 C +ATOM 497 CB ILE A 60 -5.260 -16.917 4.910 1.00 0.69 C +ATOM 498 O ILE A 60 -4.990 -13.996 6.570 1.00 0.69 O +ATOM 499 CG1 ILE A 60 -6.360 -17.763 4.258 1.00 0.69 C +ATOM 500 CG2 ILE A 60 -5.121 -17.250 6.398 1.00 0.69 C +ATOM 501 CD1 ILE A 60 -6.024 -19.245 4.161 1.00 0.69 C +ATOM 502 N ALA A 61 -3.369 -14.404 5.113 1.00 0.01 N +ATOM 503 CA ALA A 61 -2.341 -13.656 5.833 1.00 0.01 C +ATOM 504 C ALA A 61 -2.679 -12.169 5.882 1.00 0.01 C +ATOM 505 CB ALA A 61 -0.976 -13.868 5.184 1.00 0.01 C +ATOM 506 O ALA A 61 -2.570 -11.536 6.935 1.00 0.01 O +ATOM 507 N SER A 62 -3.171 -11.548 4.809 1.00 0.08 N +ATOM 508 CA SER A 62 -3.574 -10.148 4.724 1.00 0.08 C +ATOM 509 C SER A 62 -4.792 -9.870 5.598 1.00 0.08 C +ATOM 510 CB SER A 62 -3.876 -9.764 3.275 1.00 0.08 C +ATOM 511 O SER A 62 -4.785 -8.937 6.404 1.00 0.08 O +ATOM 512 OG SER A 62 -4.247 -8.399 3.184 1.00 0.08 O +ATOM 513 N LEU A 63 -5.786 -10.724 5.573 1.00 3.06 N +ATOM 514 CA LEU A 63 -6.968 -10.576 6.415 1.00 3.06 C +ATOM 515 C LEU A 63 -6.601 -10.682 7.892 1.00 3.06 C +ATOM 516 CB LEU A 63 -8.015 -11.635 6.060 1.00 3.06 C +ATOM 517 O LEU A 63 -7.080 -9.897 8.713 1.00 3.06 O +ATOM 518 CG LEU A 63 -8.731 -11.458 4.720 1.00 3.06 C +ATOM 519 CD1 LEU A 63 -9.668 -12.633 4.461 1.00 3.06 C +ATOM 520 CD2 LEU A 63 -9.498 -10.140 4.693 1.00 3.06 C +ATOM 521 N PHE A 64 -5.744 -11.615 8.211 1.00 1.08 N +ATOM 522 CA PHE A 64 -5.279 -11.778 9.584 1.00 1.08 C +ATOM 523 C PHE A 64 -4.488 -10.556 10.036 1.00 1.08 C +ATOM 524 CB PHE A 64 -4.418 -13.038 9.715 1.00 1.08 C +ATOM 525 O PHE A 64 -4.812 -9.943 11.056 1.00 1.08 O +ATOM 526 CG PHE A 64 -3.841 -13.238 11.091 1.00 1.08 C +ATOM 527 CD1 PHE A 64 -4.628 -13.731 12.125 1.00 1.08 C +ATOM 528 CD2 PHE A 64 -2.511 -12.934 11.350 1.00 1.08 C +ATOM 529 CE1 PHE A 64 -4.097 -13.917 13.399 1.00 1.08 C +ATOM 530 CE2 PHE A 64 -1.973 -13.118 12.621 1.00 1.08 C +ATOM 531 CZ PHE A 64 -2.768 -13.608 13.644 1.00 1.08 C +ATOM 532 N THR A 65 -3.462 -10.072 9.293 1.00 0.19 N +ATOM 533 CA THR A 65 -2.557 -9.003 9.700 1.00 0.19 C +ATOM 534 C THR A 65 -3.280 -7.659 9.713 1.00 0.19 C +ATOM 535 CB THR A 65 -1.334 -8.921 8.769 1.00 0.19 C +ATOM 536 O THR A 65 -3.201 -6.915 10.693 1.00 0.19 O +ATOM 537 CG2 THR A 65 -0.423 -10.132 8.950 1.00 0.19 C +ATOM 538 OG1 THR A 65 -1.779 -8.872 7.407 1.00 0.19 O +ATOM 539 N ASN A 66 -4.071 -7.330 8.659 1.00 0.00 N +ATOM 540 CA ASN A 66 -4.844 -6.094 8.609 1.00 0.00 C +ATOM 541 C ASN A 66 -6.009 -6.122 9.595 1.00 0.00 C +ATOM 542 CB ASN A 66 -5.356 -5.837 7.190 1.00 0.00 C +ATOM 543 O ASN A 66 -6.302 -5.117 10.246 1.00 0.00 O +ATOM 544 CG ASN A 66 -4.261 -5.371 6.251 1.00 0.00 C +ATOM 545 ND2 ASN A 66 -3.894 -6.222 5.299 1.00 0.00 N +ATOM 546 OD1 ASN A 66 -3.748 -4.256 6.380 1.00 0.00 O +ATOM 547 N GLY A 67 -6.674 -7.282 9.814 1.00 0.00 N +ATOM 548 CA GLY A 67 -7.661 -7.480 10.863 1.00 0.00 C +ATOM 549 C GLY A 67 -7.119 -7.201 12.252 1.00 0.00 C +ATOM 550 O GLY A 67 -7.758 -6.506 13.046 1.00 0.00 O +ATOM 551 N LEU A 68 -5.893 -7.620 12.573 1.00 0.01 N +ATOM 552 CA LEU A 68 -5.214 -7.338 13.833 1.00 0.01 C +ATOM 553 C LEU A 68 -5.006 -5.839 14.015 1.00 0.01 C +ATOM 554 CB LEU A 68 -3.866 -8.062 13.889 1.00 0.01 C +ATOM 555 O LEU A 68 -5.191 -5.311 15.115 1.00 0.01 O +ATOM 556 CG LEU A 68 -3.915 -9.566 14.162 1.00 0.01 C +ATOM 557 CD1 LEU A 68 -2.510 -10.158 14.125 1.00 0.01 C +ATOM 558 CD2 LEU A 68 -4.582 -9.845 15.505 1.00 0.01 C +ATOM 559 N VAL A 69 -4.686 -5.121 12.955 1.00 0.00 N +ATOM 560 CA VAL A 69 -4.521 -3.671 12.989 1.00 0.00 C +ATOM 561 C VAL A 69 -5.850 -3.007 13.342 1.00 0.00 C +ATOM 562 CB VAL A 69 -3.995 -3.128 11.641 1.00 0.00 C +ATOM 563 O VAL A 69 -5.912 -2.169 14.245 1.00 0.00 O +ATOM 564 CG1 VAL A 69 -4.026 -1.601 11.625 1.00 0.00 C +ATOM 565 CG2 VAL A 69 -2.581 -3.640 11.375 1.00 0.00 C +ATOM 566 N LEU A 70 -6.960 -3.397 12.716 1.00 0.00 N +ATOM 567 CA LEU A 70 -8.288 -2.840 12.947 1.00 0.00 C +ATOM 568 C LEU A 70 -8.762 -3.136 14.367 1.00 0.00 C +ATOM 569 CB LEU A 70 -9.290 -3.402 11.935 1.00 0.00 C +ATOM 570 O LEU A 70 -9.176 -2.227 15.090 1.00 0.00 O +ATOM 571 CG LEU A 70 -9.061 -3.022 10.472 1.00 0.00 C +ATOM 572 CD1 LEU A 70 -10.153 -3.620 9.591 1.00 0.00 C +ATOM 573 CD2 LEU A 70 -9.011 -1.506 10.315 1.00 0.00 C +ATOM 574 N VAL A 71 -8.607 -4.389 14.878 1.00 0.00 N +ATOM 575 CA VAL A 71 -9.022 -4.817 16.210 1.00 0.00 C +ATOM 576 C VAL A 71 -8.186 -4.100 17.268 1.00 0.00 C +ATOM 577 CB VAL A 71 -8.896 -6.348 16.379 1.00 0.00 C +ATOM 578 O VAL A 71 -8.725 -3.586 18.251 1.00 0.00 O +ATOM 579 CG1 VAL A 71 -9.115 -6.750 17.836 1.00 0.00 C +ATOM 580 CG2 VAL A 71 -9.888 -7.068 15.468 1.00 0.00 C +ATOM 581 N ALA A 72 -6.863 -3.962 17.061 1.00 0.00 N +ATOM 582 CA ALA A 72 -5.981 -3.268 17.996 1.00 0.00 C +ATOM 583 C ALA A 72 -6.343 -1.789 18.097 1.00 0.00 C +ATOM 584 CB ALA A 72 -4.523 -3.428 17.571 1.00 0.00 C +ATOM 585 O ALA A 72 -6.516 -1.259 19.197 1.00 0.00 O +ATOM 586 N THR A 73 -6.586 -1.070 16.976 1.00 0.00 N +ATOM 587 CA THR A 73 -6.901 0.354 16.950 1.00 0.00 C +ATOM 588 C THR A 73 -8.277 0.615 17.556 1.00 0.00 C +ATOM 589 CB THR A 73 -6.856 0.910 15.515 1.00 0.00 C +ATOM 590 O THR A 73 -8.467 1.596 18.278 1.00 0.00 O +ATOM 591 CG2 THR A 73 -7.086 2.417 15.501 1.00 0.00 C +ATOM 592 OG1 THR A 73 -5.574 0.628 14.939 1.00 0.00 O +ATOM 593 N ALA A 74 -9.267 -0.336 17.375 1.00 0.00 N +ATOM 594 CA ALA A 74 -10.606 -0.234 17.949 1.00 0.00 C +ATOM 595 C ALA A 74 -10.574 -0.446 19.459 1.00 0.00 C +ATOM 596 CB ALA A 74 -11.545 -1.244 17.292 1.00 0.00 C +ATOM 597 O ALA A 74 -11.186 0.314 20.213 1.00 0.00 O +ATOM 598 N LYS A 75 -9.801 -1.359 19.897 1.00 0.01 N +ATOM 599 CA LYS A 75 -9.774 -1.781 21.294 1.00 0.01 C +ATOM 600 C LYS A 75 -8.969 -0.804 22.148 1.00 0.01 C +ATOM 601 CB LYS A 75 -9.191 -3.189 21.419 1.00 0.01 C +ATOM 602 O LYS A 75 -9.393 -0.436 23.245 1.00 0.01 O +ATOM 603 CG LYS A 75 -9.198 -3.739 22.837 1.00 0.01 C +ATOM 604 CD LYS A 75 -8.844 -5.221 22.864 1.00 0.01 C +ATOM 605 CE LYS A 75 -8.869 -5.776 24.282 1.00 0.01 C +ATOM 606 NZ LYS A 75 -8.613 -7.248 24.304 1.00 0.01 N +ATOM 607 N PHE A 76 -7.859 -0.285 21.703 1.00 0.00 N +ATOM 608 CA PHE A 76 -6.916 0.465 22.524 1.00 0.00 C +ATOM 609 C PHE A 76 -7.016 1.958 22.235 1.00 0.00 C +ATOM 610 CB PHE A 76 -5.484 -0.022 22.282 1.00 0.00 C +ATOM 611 O PHE A 76 -6.545 2.428 21.197 1.00 0.00 O +ATOM 612 CG PHE A 76 -5.252 -1.451 22.691 1.00 0.00 C +ATOM 613 CD1 PHE A 76 -5.139 -1.795 24.033 1.00 0.00 C +ATOM 614 CD2 PHE A 76 -5.146 -2.452 21.733 1.00 0.00 C +ATOM 615 CE1 PHE A 76 -4.924 -3.118 24.414 1.00 0.00 C +ATOM 616 CE2 PHE A 76 -4.932 -3.775 22.107 1.00 0.00 C +ATOM 617 CZ PHE A 76 -4.820 -4.106 23.448 1.00 0.00 C +ATOM 618 N LYS A 77 -7.501 2.731 23.262 1.00 0.00 N +ATOM 619 CA LYS A 77 -7.722 4.171 23.165 1.00 0.00 C +ATOM 620 C LYS A 77 -6.423 4.907 22.854 1.00 0.00 C +ATOM 621 CB LYS A 77 -8.332 4.709 24.461 1.00 0.00 C +ATOM 622 O LYS A 77 -6.426 5.904 22.129 1.00 0.00 O +ATOM 623 CG LYS A 77 -9.781 4.301 24.679 1.00 0.00 C +ATOM 624 CD LYS A 77 -10.367 4.961 25.921 1.00 0.00 C +ATOM 625 CE LYS A 77 -11.816 4.550 26.143 1.00 0.00 C +ATOM 626 NZ LYS A 77 -12.378 5.152 27.390 1.00 0.00 N +ATOM 627 N LYS A 78 -5.317 4.369 23.316 1.00 0.00 N +ATOM 628 CA LYS A 78 -3.985 4.932 23.119 1.00 0.00 C +ATOM 629 C LYS A 78 -3.584 4.897 21.647 1.00 0.00 C +ATOM 630 CB LYS A 78 -2.954 4.178 23.961 1.00 0.00 C +ATOM 631 O LYS A 78 -2.714 5.657 21.217 1.00 0.00 O +ATOM 632 CG LYS A 78 -2.861 2.694 23.642 1.00 0.00 C +ATOM 633 CD LYS A 78 -1.834 1.995 24.525 1.00 0.00 C +ATOM 634 CE LYS A 78 -1.691 0.524 24.161 1.00 0.00 C +ATOM 635 NZ LYS A 78 -0.709 -0.173 25.045 1.00 0.00 N +ATOM 636 N LEU A 79 -4.244 4.101 20.807 1.00 0.00 N +ATOM 637 CA LEU A 79 -4.001 4.005 19.372 1.00 0.00 C +ATOM 638 C LEU A 79 -4.930 4.935 18.599 1.00 0.00 C +ATOM 639 CB LEU A 79 -4.188 2.563 18.892 1.00 0.00 C +ATOM 640 O LEU A 79 -4.910 4.956 17.366 1.00 0.00 O +ATOM 641 CG LEU A 79 -3.218 1.527 19.462 1.00 0.00 C +ATOM 642 CD1 LEU A 79 -3.478 0.159 18.840 1.00 0.00 C +ATOM 643 CD2 LEU A 79 -1.775 1.960 19.229 1.00 0.00 C +ATOM 644 N ARG A 80 -5.696 5.743 19.241 1.00 0.00 N +ATOM 645 CA ARG A 80 -6.549 6.701 18.544 1.00 0.00 C +ATOM 646 C ARG A 80 -5.788 7.985 18.230 1.00 0.00 C +ATOM 647 CB ARG A 80 -7.792 7.019 19.377 1.00 0.00 C +ATOM 648 O ARG A 80 -6.338 9.082 18.346 1.00 0.00 O +ATOM 649 CG ARG A 80 -8.706 5.825 19.601 1.00 0.00 C +ATOM 650 CD ARG A 80 -10.011 6.231 20.272 1.00 0.00 C +ATOM 651 NE ARG A 80 -10.890 5.084 20.480 1.00 0.00 N +ATOM 652 NH1 ARG A 80 -12.552 6.287 21.542 1.00 0.00 N +ATOM 653 NH2 ARG A 80 -12.795 4.031 21.214 1.00 0.00 N +ATOM 654 CZ ARG A 80 -12.077 5.137 21.078 1.00 0.00 C +ATOM 655 N HIS A 81 -4.563 7.903 17.899 1.00 0.00 N +ATOM 656 CA HIS A 81 -3.699 8.951 17.366 1.00 0.00 C +ATOM 657 C HIS A 81 -3.918 9.138 15.869 1.00 0.00 C +ATOM 658 CB HIS A 81 -2.230 8.628 17.646 1.00 0.00 C +ATOM 659 O HIS A 81 -4.193 8.173 15.152 1.00 0.00 O +ATOM 660 CG HIS A 81 -1.301 9.764 17.359 1.00 0.00 C +ATOM 661 CD2 HIS A 81 -0.923 10.818 18.121 1.00 0.00 C +ATOM 662 ND1 HIS A 81 -0.642 9.901 16.156 1.00 0.00 N +ATOM 663 CE1 HIS A 81 0.103 10.993 16.192 1.00 0.00 C +ATOM 664 NE2 HIS A 81 -0.049 11.568 17.373 1.00 0.00 N +ATOM 665 N PRO A 82 -3.737 10.333 15.250 1.00 0.00 N +ATOM 666 CA PRO A 82 -4.021 10.627 13.843 1.00 0.00 C +ATOM 667 C PRO A 82 -3.283 9.695 12.885 1.00 0.00 C +ATOM 668 CB PRO A 82 -3.539 12.071 13.680 1.00 0.00 C +ATOM 669 O PRO A 82 -3.882 9.175 11.939 1.00 0.00 O +ATOM 670 CG PRO A 82 -3.805 12.713 15.003 1.00 0.00 C +ATOM 671 CD PRO A 82 -3.516 11.714 16.086 1.00 0.00 C +ATOM 672 N LEU A 83 -2.035 9.352 13.200 1.00 0.00 N +ATOM 673 CA LEU A 83 -1.238 8.414 12.418 1.00 0.00 C +ATOM 674 C LEU A 83 -1.922 7.054 12.337 1.00 0.00 C +ATOM 675 CB LEU A 83 0.159 8.260 13.027 1.00 0.00 C +ATOM 676 O LEU A 83 -1.914 6.411 11.285 1.00 0.00 O +ATOM 677 CG LEU A 83 1.091 7.261 12.341 1.00 0.00 C +ATOM 678 CD1 LEU A 83 1.392 7.709 10.914 1.00 0.00 C +ATOM 679 CD2 LEU A 83 2.381 7.098 13.138 1.00 0.00 C +ATOM 680 N ASN A 84 -2.534 6.642 13.395 1.00 0.00 N +ATOM 681 CA ASN A 84 -3.172 5.331 13.435 1.00 0.00 C +ATOM 682 C ASN A 84 -4.461 5.309 12.620 1.00 0.00 C +ATOM 683 CB ASN A 84 -3.450 4.913 14.881 1.00 0.00 C +ATOM 684 O ASN A 84 -4.847 4.266 12.088 1.00 0.00 O +ATOM 685 CG ASN A 84 -2.181 4.709 15.685 1.00 0.00 C +ATOM 686 ND2 ASN A 84 -2.293 4.806 17.004 1.00 0.00 N +ATOM 687 OD1 ASN A 84 -1.109 4.467 15.124 1.00 0.00 O +ATOM 688 N TRP A 85 -5.141 6.429 12.389 1.00 0.00 N +ATOM 689 CA TRP A 85 -6.287 6.512 11.489 1.00 0.00 C +ATOM 690 C TRP A 85 -5.857 6.309 10.040 1.00 0.00 C +ATOM 691 CB TRP A 85 -6.993 7.863 11.640 1.00 0.00 C +ATOM 692 O TRP A 85 -6.561 5.660 9.262 1.00 0.00 O +ATOM 693 CG TRP A 85 -7.780 8.000 12.909 1.00 0.00 C +ATOM 694 CD1 TRP A 85 -7.521 8.845 13.952 1.00 0.00 C +ATOM 695 CD2 TRP A 85 -8.953 7.264 13.270 1.00 0.00 C +ATOM 696 CE2 TRP A 85 -9.353 7.716 14.547 1.00 0.00 C +ATOM 697 CE3 TRP A 85 -9.706 6.266 12.637 1.00 0.00 C +ATOM 698 NE1 TRP A 85 -8.463 8.679 14.941 1.00 0.00 N +ATOM 699 CH2 TRP A 85 -11.193 6.228 14.562 1.00 0.00 C +ATOM 700 CZ2 TRP A 85 -10.474 7.203 15.203 1.00 0.00 C +ATOM 701 CZ3 TRP A 85 -10.821 5.757 13.292 1.00 0.00 C +ATOM 702 N ILE A 86 -4.679 6.777 9.690 1.00 0.00 N +ATOM 703 CA ILE A 86 -4.128 6.539 8.360 1.00 0.00 C +ATOM 704 C ILE A 86 -3.778 5.061 8.204 1.00 0.00 C +ATOM 705 CB ILE A 86 -2.883 7.416 8.100 1.00 0.00 C +ATOM 706 O ILE A 86 -4.043 4.461 7.160 1.00 0.00 O +ATOM 707 CG1 ILE A 86 -3.213 8.895 8.329 1.00 0.00 C +ATOM 708 CG2 ILE A 86 -2.348 7.187 6.683 1.00 0.00 C +ATOM 709 CD1 ILE A 86 -1.989 9.786 8.486 1.00 0.00 C +ATOM 710 N LEU A 87 -3.382 4.431 9.238 1.00 0.00 N +ATOM 711 CA LEU A 87 -3.083 3.004 9.236 1.00 0.00 C +ATOM 712 C LEU A 87 -4.363 2.180 9.143 1.00 0.00 C +ATOM 713 CB LEU A 87 -2.304 2.617 10.496 1.00 0.00 C +ATOM 714 O LEU A 87 -4.395 1.147 8.471 1.00 0.00 O +ATOM 715 CG LEU A 87 -0.877 3.158 10.604 1.00 0.00 C +ATOM 716 CD1 LEU A 87 -0.315 2.897 11.997 1.00 0.00 C +ATOM 717 CD2 LEU A 87 0.014 2.534 9.536 1.00 0.00 C +ATOM 718 N VAL A 88 -5.400 2.587 9.836 1.00 0.07 N +ATOM 719 CA VAL A 88 -6.721 1.983 9.696 1.00 0.07 C +ATOM 720 C VAL A 88 -7.199 2.115 8.252 1.00 0.07 C +ATOM 721 CB VAL A 88 -7.745 2.627 10.657 1.00 0.07 C +ATOM 722 O VAL A 88 -7.681 1.147 7.659 1.00 0.07 O +ATOM 723 CG1 VAL A 88 -9.168 2.217 10.284 1.00 0.07 C +ATOM 724 CG2 VAL A 88 -7.436 2.240 12.102 1.00 0.07 C +ATOM 725 N ASN A 89 -6.987 3.261 7.634 1.00 0.00 N +ATOM 726 CA ASN A 89 -7.336 3.480 6.234 1.00 0.00 C +ATOM 727 C ASN A 89 -6.543 2.561 5.309 1.00 0.00 C +ATOM 728 CB ASN A 89 -7.114 4.943 5.848 1.00 0.00 C +ATOM 729 O ASN A 89 -7.112 1.933 4.415 1.00 0.00 O +ATOM 730 CG ASN A 89 -7.498 5.233 4.411 1.00 0.00 C +ATOM 731 ND2 ASN A 89 -6.504 5.502 3.573 1.00 0.00 N +ATOM 732 OD1 ASN A 89 -8.680 5.216 4.056 1.00 0.00 O +ATOM 733 N LEU A 90 -5.261 2.434 5.529 1.00 0.00 N +ATOM 734 CA LEU A 90 -4.397 1.518 4.792 1.00 0.00 C +ATOM 735 C LEU A 90 -4.873 0.078 4.947 1.00 0.00 C +ATOM 736 CB LEU A 90 -2.949 1.643 5.273 1.00 0.00 C +ATOM 737 O LEU A 90 -5.091 -0.619 3.953 1.00 0.00 O +ATOM 738 CG LEU A 90 -1.928 0.726 4.598 1.00 0.00 C +ATOM 739 CD1 LEU A 90 -1.872 1.007 3.100 1.00 0.00 C +ATOM 740 CD2 LEU A 90 -0.552 0.898 5.232 1.00 0.00 C +ATOM 741 N ALA A 91 -5.228 -0.346 6.149 1.00 0.00 N +ATOM 742 CA ALA A 91 -5.709 -1.694 6.438 1.00 0.00 C +ATOM 743 C ALA A 91 -7.059 -1.949 5.772 1.00 0.00 C +ATOM 744 CB ALA A 91 -5.814 -1.911 7.945 1.00 0.00 C +ATOM 745 O ALA A 91 -7.316 -3.049 5.276 1.00 0.00 O +ATOM 746 N VAL A 92 -7.934 -0.967 5.700 1.00 0.10 N +ATOM 747 CA VAL A 92 -9.230 -1.056 5.037 1.00 0.10 C +ATOM 748 C VAL A 92 -9.032 -1.158 3.526 1.00 0.10 C +ATOM 749 CB VAL A 92 -10.127 0.155 5.377 1.00 0.10 C +ATOM 750 O VAL A 92 -9.668 -1.982 2.865 1.00 0.10 O +ATOM 751 CG1 VAL A 92 -11.360 0.184 4.476 1.00 0.10 C +ATOM 752 CG2 VAL A 92 -10.537 0.119 6.848 1.00 0.10 C +ATOM 753 N ALA A 93 -8.120 -0.401 2.967 1.00 0.08 N +ATOM 754 CA ALA A 93 -7.777 -0.462 1.548 1.00 0.08 C +ATOM 755 C ALA A 93 -7.185 -1.821 1.184 1.00 0.08 C +ATOM 756 CB ALA A 93 -6.799 0.654 1.189 1.00 0.08 C +ATOM 757 O ALA A 93 -7.648 -2.476 0.248 1.00 0.08 O +ATOM 758 N ASP A 94 -6.277 -2.351 1.971 1.00 1.33 N +ATOM 759 CA ASP A 94 -5.609 -3.635 1.782 1.00 1.33 C +ATOM 760 C ASP A 94 -6.599 -4.792 1.899 1.00 1.33 C +ATOM 761 CB ASP A 94 -4.478 -3.807 2.797 1.00 1.33 C +ATOM 762 O ASP A 94 -6.555 -5.737 1.108 1.00 1.33 O +ATOM 763 CG ASP A 94 -3.266 -2.946 2.485 1.00 1.33 C +ATOM 764 OD1 ASP A 94 -3.188 -2.383 1.372 1.00 1.33 O +ATOM 765 OD2 ASP A 94 -2.380 -2.832 3.360 1.00 1.33 O +ATOM 766 N ILE A 95 -7.554 -4.745 2.853 1.00 0.75 N +ATOM 767 CA ILE A 95 -8.611 -5.742 2.989 1.00 0.75 C +ATOM 768 C ILE A 95 -9.541 -5.675 1.779 1.00 0.75 C +ATOM 769 CB ILE A 95 -9.413 -5.540 4.294 1.00 0.75 C +ATOM 770 O ILE A 95 -9.901 -6.707 1.208 1.00 0.75 O +ATOM 771 CG1 ILE A 95 -8.590 -5.998 5.503 1.00 0.75 C +ATOM 772 CG2 ILE A 95 -10.749 -6.285 4.227 1.00 0.75 C +ATOM 773 CD1 ILE A 95 -9.172 -5.575 6.844 1.00 0.75 C +ATOM 774 N GLY A 96 -9.963 -4.452 1.383 1.00 1.15 N +ATOM 775 CA GLY A 96 -10.781 -4.269 0.195 1.00 1.15 C +ATOM 776 C GLY A 96 -10.138 -4.820 -1.063 1.00 1.15 C +ATOM 777 O GLY A 96 -10.747 -5.617 -1.780 1.00 1.15 O +ATOM 778 N GLU A 97 -8.884 -4.524 -1.307 1.00 8.29 N +ATOM 779 CA GLU A 97 -8.091 -5.048 -2.416 1.00 8.29 C +ATOM 780 C GLU A 97 -7.993 -6.569 -2.353 1.00 8.29 C +ATOM 781 CB GLU A 97 -6.691 -4.429 -2.415 1.00 8.29 C +ATOM 782 O GLU A 97 -8.292 -7.257 -3.332 1.00 8.29 O +ATOM 783 CG GLU A 97 -5.834 -4.846 -3.601 1.00 8.29 C +ATOM 784 CD GLU A 97 -4.409 -4.322 -3.524 1.00 8.29 C +ATOM 785 OE1 GLU A 97 -4.141 -3.407 -2.713 1.00 8.29 O +ATOM 786 OE2 GLU A 97 -3.553 -4.831 -4.282 1.00 8.29 O +ATOM 787 N THR A 98 -7.639 -7.124 -1.228 1.00 5.11 N +ATOM 788 CA THR A 98 -7.373 -8.546 -1.040 1.00 5.11 C +ATOM 789 C THR A 98 -8.649 -9.363 -1.214 1.00 5.11 C +ATOM 790 CB THR A 98 -6.768 -8.823 0.348 1.00 5.11 C +ATOM 791 O THR A 98 -8.660 -10.362 -1.937 1.00 5.11 O +ATOM 792 CG2 THR A 98 -6.561 -10.317 0.571 1.00 5.11 C +ATOM 793 OG1 THR A 98 -5.504 -8.156 0.455 1.00 5.11 O +ATOM 794 N ILE A 99 -9.739 -8.999 -0.590 1.00 0.09 N +ATOM 795 CA ILE A 99 -10.990 -9.746 -0.661 1.00 0.09 C +ATOM 796 C ILE A 99 -11.533 -9.710 -2.088 1.00 0.09 C +ATOM 797 CB ILE A 99 -12.039 -9.185 0.326 1.00 0.09 C +ATOM 798 O ILE A 99 -11.810 -10.756 -2.680 1.00 0.09 O +ATOM 799 CG1 ILE A 99 -11.650 -9.525 1.769 1.00 0.09 C +ATOM 800 CG2 ILE A 99 -13.434 -9.723 -0.006 1.00 0.09 C +ATOM 801 CD1 ILE A 99 -12.557 -8.898 2.819 1.00 0.09 C +ATOM 802 N LEU A 100 -11.648 -8.538 -2.641 1.00 0.72 N +ATOM 803 CA LEU A 100 -12.322 -8.411 -3.929 1.00 0.72 C +ATOM 804 C LEU A 100 -11.469 -8.999 -5.048 1.00 0.72 C +ATOM 805 CB LEU A 100 -12.635 -6.943 -4.227 1.00 0.72 C +ATOM 806 O LEU A 100 -11.936 -9.851 -5.808 1.00 0.72 O +ATOM 807 CG LEU A 100 -13.729 -6.296 -3.376 1.00 0.72 C +ATOM 808 CD1 LEU A 100 -13.757 -4.789 -3.605 1.00 0.72 C +ATOM 809 CD2 LEU A 100 -15.087 -6.915 -3.689 1.00 0.72 C +ATOM 810 N ALA A 101 -10.150 -8.663 -5.106 1.00 0.04 N +ATOM 811 CA ALA A 101 -9.240 -9.182 -6.124 1.00 0.04 C +ATOM 812 C ALA A 101 -9.118 -10.700 -6.026 1.00 0.04 C +ATOM 813 CB ALA A 101 -7.866 -8.531 -5.991 1.00 0.04 C +ATOM 814 O ALA A 101 -9.197 -11.402 -7.037 1.00 0.04 O +ATOM 815 N SER A 102 -8.963 -11.217 -4.810 1.00 0.16 N +ATOM 816 CA SER A 102 -8.699 -12.642 -4.647 1.00 0.16 C +ATOM 817 C SER A 102 -9.977 -13.461 -4.791 1.00 0.16 C +ATOM 818 CB SER A 102 -8.059 -12.917 -3.285 1.00 0.16 C +ATOM 819 O SER A 102 -9.964 -14.545 -5.379 1.00 0.16 O +ATOM 820 OG SER A 102 -6.871 -12.160 -3.126 1.00 0.16 O +ATOM 821 N THR A 103 -11.127 -12.981 -4.277 1.00 0.00 N +ATOM 822 CA THR A 103 -12.401 -13.677 -4.423 1.00 0.00 C +ATOM 823 C THR A 103 -12.778 -13.811 -5.895 1.00 0.00 C +ATOM 824 CB THR A 103 -13.526 -12.947 -3.666 1.00 0.00 C +ATOM 825 O THR A 103 -13.071 -14.911 -6.369 1.00 0.00 O +ATOM 826 CG2 THR A 103 -14.852 -13.688 -3.803 1.00 0.00 C +ATOM 827 OG1 THR A 103 -13.181 -12.858 -2.278 1.00 0.00 O +ATOM 828 N ILE A 104 -12.635 -12.781 -6.645 1.00 4.42 N +ATOM 829 CA ILE A 104 -12.992 -12.796 -8.059 1.00 4.42 C +ATOM 830 C ILE A 104 -11.975 -13.625 -8.840 1.00 4.42 C +ATOM 831 CB ILE A 104 -13.073 -11.365 -8.636 1.00 4.42 C +ATOM 832 O ILE A 104 -12.349 -14.481 -9.645 1.00 4.42 O +ATOM 833 CG1 ILE A 104 -14.261 -10.611 -8.028 1.00 4.42 C +ATOM 834 CG2 ILE A 104 -13.174 -11.404 -10.164 1.00 4.42 C +ATOM 835 CD1 ILE A 104 -14.256 -9.115 -8.313 1.00 4.42 C +ATOM 836 N SER A 105 -10.695 -13.507 -8.523 1.00 40.59 N +ATOM 837 CA SER A 105 -9.643 -14.310 -9.138 1.00 40.59 C +ATOM 838 C SER A 105 -9.847 -15.796 -8.860 1.00 40.59 C +ATOM 839 CB SER A 105 -8.268 -13.872 -8.631 1.00 40.59 C +ATOM 840 O SER A 105 -9.766 -16.620 -9.773 1.00 40.59 O +ATOM 841 OG SER A 105 -7.979 -12.547 -9.043 1.00 40.59 O +ATOM 842 N ILE A 106 -10.180 -16.197 -7.653 1.00 2.16 N +ATOM 843 CA ILE A 106 -10.448 -17.575 -7.256 1.00 2.16 C +ATOM 844 C ILE A 106 -11.711 -18.077 -7.953 1.00 2.16 C +ATOM 845 CB ILE A 106 -10.594 -17.704 -5.724 1.00 2.16 C +ATOM 846 O ILE A 106 -11.721 -19.172 -8.519 1.00 2.16 O +ATOM 847 CG1 ILE A 106 -9.235 -17.513 -5.040 1.00 2.16 C +ATOM 848 CG2 ILE A 106 -11.209 -19.056 -5.351 1.00 2.16 C +ATOM 849 CD1 ILE A 106 -9.329 -17.211 -3.550 1.00 2.16 C +ATOM 850 N ILE A 107 -12.790 -17.281 -8.026 1.00 2.63 N +ATOM 851 CA ILE A 107 -14.030 -17.622 -8.715 1.00 2.63 C +ATOM 852 C ILE A 107 -13.754 -17.832 -10.202 1.00 2.63 C +ATOM 853 CB ILE A 107 -15.104 -16.528 -8.519 1.00 2.63 C +ATOM 854 O ILE A 107 -14.130 -18.860 -10.770 1.00 2.63 O +ATOM 855 CG1 ILE A 107 -15.656 -16.572 -7.089 1.00 2.63 C +ATOM 856 CG2 ILE A 107 -16.230 -16.686 -9.545 1.00 2.63 C +ATOM 857 CD1 ILE A 107 -16.498 -15.361 -6.713 1.00 2.63 C +ATOM 858 N ASN A 108 -12.991 -16.943 -10.846 1.00 0.32 N +ATOM 859 CA ASN A 108 -12.628 -17.030 -12.256 1.00 0.32 C +ATOM 860 C ASN A 108 -11.760 -18.254 -12.537 1.00 0.32 C +ATOM 861 CB ASN A 108 -11.909 -15.756 -12.705 1.00 0.32 C +ATOM 862 O ASN A 108 -11.919 -18.909 -13.568 1.00 0.32 O +ATOM 863 CG ASN A 108 -12.862 -14.599 -12.936 1.00 0.32 C +ATOM 864 ND2 ASN A 108 -12.335 -13.381 -12.899 1.00 0.32 N +ATOM 865 OD1 ASN A 108 -14.061 -14.799 -13.146 1.00 0.32 O +ATOM 866 N GLN A 109 -10.867 -18.667 -11.583 1.00 1.37 N +ATOM 867 CA GLN A 109 -10.021 -19.849 -11.711 1.00 1.37 C +ATOM 868 C GLN A 109 -10.835 -21.129 -11.548 1.00 1.37 C +ATOM 869 CB GLN A 109 -8.888 -19.813 -10.684 1.00 1.37 C +ATOM 870 O GLN A 109 -10.599 -22.115 -12.249 1.00 1.37 O +ATOM 871 CG GLN A 109 -7.753 -18.867 -11.053 1.00 1.37 C +ATOM 872 CD GLN A 109 -6.681 -18.791 -9.983 1.00 1.37 C +ATOM 873 NE2 GLN A 109 -6.059 -17.625 -9.847 1.00 1.37 N +ATOM 874 OE1 GLN A 109 -6.413 -19.773 -9.282 1.00 1.37 O +ATOM 875 N ILE A 110 -11.895 -21.161 -10.630 1.00 0.06 N +ATOM 876 CA ILE A 110 -12.692 -22.341 -10.312 1.00 0.06 C +ATOM 877 C ILE A 110 -13.756 -22.550 -11.387 1.00 0.06 C +ATOM 878 CB ILE A 110 -13.353 -22.218 -8.921 1.00 0.06 C +ATOM 879 O ILE A 110 -13.932 -23.663 -11.887 1.00 0.06 O +ATOM 880 CG1 ILE A 110 -12.294 -22.315 -7.816 1.00 0.06 C +ATOM 881 CG2 ILE A 110 -14.434 -23.287 -8.740 1.00 0.06 C +ATOM 882 CD1 ILE A 110 -12.807 -21.940 -6.432 1.00 0.06 C +ATOM 883 N PHE A 111 -14.421 -21.498 -11.781 1.00 3.53 N +ATOM 884 CA PHE A 111 -15.629 -21.618 -12.590 1.00 3.53 C +ATOM 885 C PHE A 111 -15.339 -21.284 -14.048 1.00 3.53 C +ATOM 886 CB PHE A 111 -16.731 -20.701 -12.051 1.00 3.53 C +ATOM 887 O PHE A 111 -16.196 -21.468 -14.915 1.00 3.53 O +ATOM 888 CG PHE A 111 -17.258 -21.112 -10.702 1.00 3.53 C +ATOM 889 CD1 PHE A 111 -18.021 -22.265 -10.561 1.00 3.53 C +ATOM 890 CD2 PHE A 111 -16.990 -20.346 -9.576 1.00 3.53 C +ATOM 891 CE1 PHE A 111 -18.510 -22.648 -9.314 1.00 3.53 C +ATOM 892 CE2 PHE A 111 -17.475 -20.722 -8.327 1.00 3.53 C +ATOM 893 CZ PHE A 111 -18.235 -21.873 -8.198 1.00 3.53 C +ATOM 894 N GLY A 112 -14.059 -20.983 -14.301 1.00 0.00 N +ATOM 895 CA GLY A 112 -13.737 -20.409 -15.597 1.00 0.00 C +ATOM 896 C GLY A 112 -14.343 -19.034 -15.808 1.00 0.00 C +ATOM 897 O GLY A 112 -15.345 -18.688 -15.179 1.00 0.00 O +ATOM 898 N TYR A 113 -13.764 -18.080 -16.577 1.00 0.00 N +ATOM 899 CA TYR A 113 -14.047 -16.667 -16.801 1.00 0.00 C +ATOM 900 C TYR A 113 -15.507 -16.457 -17.185 1.00 0.00 C +ATOM 901 CB TYR A 113 -13.134 -16.102 -17.894 1.00 0.00 C +ATOM 902 O TYR A 113 -16.062 -15.376 -16.974 1.00 0.00 O +ATOM 903 CG TYR A 113 -11.892 -15.430 -17.360 1.00 0.00 C +ATOM 904 CD1 TYR A 113 -11.918 -14.098 -16.953 1.00 0.00 C +ATOM 905 CD2 TYR A 113 -10.691 -16.125 -17.263 1.00 0.00 C +ATOM 906 CE1 TYR A 113 -10.776 -13.474 -16.462 1.00 0.00 C +ATOM 907 CE2 TYR A 113 -9.543 -15.511 -16.774 1.00 0.00 C +ATOM 908 OH TYR A 113 -8.462 -13.575 -15.891 1.00 0.00 O +ATOM 909 CZ TYR A 113 -9.595 -14.187 -16.376 1.00 0.00 C +ATOM 910 N PHE A 114 -16.082 -17.366 -17.700 1.00 0.26 N +ATOM 911 CA PHE A 114 -17.358 -17.245 -18.395 1.00 0.26 C +ATOM 912 C PHE A 114 -18.466 -16.848 -17.427 1.00 0.26 C +ATOM 913 CB PHE A 114 -17.718 -18.561 -19.093 1.00 0.26 C +ATOM 914 O PHE A 114 -19.468 -16.255 -17.832 1.00 0.26 O +ATOM 915 CG PHE A 114 -17.054 -18.739 -20.431 1.00 0.26 C +ATOM 916 CD1 PHE A 114 -17.579 -18.139 -21.569 1.00 0.26 C +ATOM 917 CD2 PHE A 114 -15.903 -19.507 -20.552 1.00 0.26 C +ATOM 918 CE1 PHE A 114 -16.967 -18.302 -22.810 1.00 0.26 C +ATOM 919 CE2 PHE A 114 -15.285 -19.674 -21.788 1.00 0.26 C +ATOM 920 CZ PHE A 114 -15.819 -19.072 -22.916 1.00 0.26 C +ATOM 921 N ILE A 115 -18.312 -17.065 -16.134 1.00 3.06 N +ATOM 922 CA ILE A 115 -19.492 -16.934 -15.286 1.00 3.06 C +ATOM 923 C ILE A 115 -19.711 -15.465 -14.931 1.00 3.06 C +ATOM 924 CB ILE A 115 -19.362 -17.783 -14.001 1.00 3.06 C +ATOM 925 O ILE A 115 -20.840 -14.970 -14.977 1.00 3.06 O +ATOM 926 CG1 ILE A 115 -19.315 -19.275 -14.350 1.00 3.06 C +ATOM 927 CG2 ILE A 115 -20.513 -17.482 -13.037 1.00 3.06 C +ATOM 928 CD1 ILE A 115 -19.089 -20.184 -13.150 1.00 3.06 C +ATOM 929 N LEU A 116 -18.668 -14.681 -14.693 1.00 0.00 N +ATOM 930 CA LEU A 116 -18.956 -13.344 -14.187 1.00 0.00 C +ATOM 931 C LEU A 116 -18.906 -12.315 -15.312 1.00 0.00 C +ATOM 932 CB LEU A 116 -17.962 -12.962 -13.086 1.00 0.00 C +ATOM 933 O LEU A 116 -19.430 -11.208 -15.169 1.00 0.00 O +ATOM 934 CG LEU A 116 -18.067 -13.746 -11.777 1.00 0.00 C +ATOM 935 CD1 LEU A 116 -16.932 -13.357 -10.835 1.00 0.00 C +ATOM 936 CD2 LEU A 116 -19.421 -13.510 -11.118 1.00 0.00 C +ATOM 937 N GLY A 117 -18.356 -12.679 -16.475 1.00 0.00 N +ATOM 938 CA GLY A 117 -18.315 -11.891 -17.697 1.00 0.00 C +ATOM 939 C GLY A 117 -17.479 -10.632 -17.566 1.00 0.00 C +ATOM 940 O GLY A 117 -16.908 -10.367 -16.507 1.00 0.00 O +ATOM 941 N HIS A 118 -17.406 -9.781 -18.594 1.00 0.03 N +ATOM 942 CA HIS A 118 -16.591 -8.589 -18.797 1.00 0.03 C +ATOM 943 C HIS A 118 -16.924 -7.512 -17.770 1.00 0.03 C +ATOM 944 CB HIS A 118 -16.785 -8.043 -20.213 1.00 0.03 C +ATOM 945 O HIS A 118 -16.024 -6.894 -17.198 1.00 0.03 O +ATOM 946 CG HIS A 118 -15.952 -6.836 -20.509 1.00 0.03 C +ATOM 947 CD2 HIS A 118 -14.702 -6.722 -21.016 1.00 0.03 C +ATOM 948 ND1 HIS A 118 -16.394 -5.552 -20.278 1.00 0.03 N +ATOM 949 CE1 HIS A 118 -15.450 -4.697 -20.632 1.00 0.03 C +ATOM 950 NE2 HIS A 118 -14.412 -5.381 -21.083 1.00 0.03 N +ATOM 951 N PRO A 119 -18.192 -7.291 -17.295 1.00 0.37 N +ATOM 952 CA PRO A 119 -18.516 -6.255 -16.312 1.00 0.37 C +ATOM 953 C PRO A 119 -17.898 -6.525 -14.943 1.00 0.37 C +ATOM 954 CB PRO A 119 -20.045 -6.303 -16.240 1.00 0.37 C +ATOM 955 O PRO A 119 -17.437 -5.596 -14.275 1.00 0.37 O +ATOM 956 CG PRO A 119 -20.476 -6.788 -17.587 1.00 0.37 C +ATOM 957 CD PRO A 119 -19.493 -7.821 -18.059 1.00 0.37 C +ATOM 958 N MET A 120 -17.791 -7.736 -14.483 1.00 0.96 N +ATOM 959 CA MET A 120 -17.204 -8.087 -13.193 1.00 0.96 C +ATOM 960 C MET A 120 -15.687 -7.931 -13.224 1.00 0.96 C +ATOM 961 CB MET A 120 -17.574 -9.520 -12.805 1.00 0.96 C +ATOM 962 O MET A 120 -15.078 -7.542 -12.226 1.00 0.96 O +ATOM 963 CG MET A 120 -19.004 -9.672 -12.311 1.00 0.96 C +ATOM 964 SD MET A 120 -19.305 -8.767 -10.743 1.00 0.96 S +ATOM 965 CE MET A 120 -21.088 -9.041 -10.553 1.00 0.96 C +ATOM 966 N CYS A 121 -15.165 -8.152 -14.411 1.00 0.00 N +ATOM 967 CA CYS A 121 -13.741 -7.916 -14.617 1.00 0.00 C +ATOM 968 C CYS A 121 -13.415 -6.430 -14.526 1.00 0.00 C +ATOM 969 CB CYS A 121 -13.298 -8.462 -15.974 1.00 0.00 C +ATOM 970 O CYS A 121 -12.451 -6.041 -13.865 1.00 0.00 O +ATOM 971 SG CYS A 121 -11.523 -8.316 -16.274 1.00 0.00 S +ATOM 972 N ILE A 122 -14.196 -5.633 -15.082 1.00 0.06 N +ATOM 973 CA ILE A 122 -14.075 -4.181 -14.999 1.00 0.06 C +ATOM 974 C ILE A 122 -14.255 -3.730 -13.551 1.00 0.06 C +ATOM 975 CB ILE A 122 -15.103 -3.475 -15.912 1.00 0.06 C +ATOM 976 O ILE A 122 -13.460 -2.941 -13.037 1.00 0.06 O +ATOM 977 CG1 ILE A 122 -14.776 -3.737 -17.386 1.00 0.06 C +ATOM 978 CG2 ILE A 122 -15.143 -1.972 -15.618 1.00 0.06 C +ATOM 979 CD1 ILE A 122 -15.845 -3.247 -18.354 1.00 0.06 C +ATOM 980 N PHE A 123 -15.233 -4.284 -12.943 1.00 0.09 N +ATOM 981 CA PHE A 123 -15.541 -3.944 -11.559 1.00 0.09 C +ATOM 982 C PHE A 123 -14.406 -4.365 -10.633 1.00 0.09 C +ATOM 983 CB PHE A 123 -16.851 -4.607 -11.120 1.00 0.09 C +ATOM 984 O PHE A 123 -13.949 -3.575 -9.805 1.00 0.09 O +ATOM 985 CG PHE A 123 -17.191 -4.377 -9.672 1.00 0.09 C +ATOM 986 CD1 PHE A 123 -17.671 -3.146 -9.243 1.00 0.09 C +ATOM 987 CD2 PHE A 123 -17.032 -5.394 -8.739 1.00 0.09 C +ATOM 988 CE1 PHE A 123 -17.987 -2.930 -7.904 1.00 0.09 C +ATOM 989 CE2 PHE A 123 -17.345 -5.186 -7.399 1.00 0.09 C +ATOM 990 CZ PHE A 123 -17.822 -3.954 -6.983 1.00 0.09 C +ATOM 991 N GLU A 124 -13.845 -5.571 -10.770 1.00 0.73 N +ATOM 992 CA GLU A 124 -12.673 -6.046 -10.040 1.00 0.73 C +ATOM 993 C GLU A 124 -11.482 -5.114 -10.242 1.00 0.73 C +ATOM 994 CB GLU A 124 -12.309 -7.468 -10.474 1.00 0.73 C +ATOM 995 O GLU A 124 -10.948 -4.562 -9.278 1.00 0.73 O +ATOM 996 CG GLU A 124 -11.105 -8.045 -9.742 1.00 0.73 C +ATOM 997 CD GLU A 124 -10.587 -9.332 -10.362 1.00 0.73 C +ATOM 998 OE1 GLU A 124 -11.178 -9.808 -11.358 1.00 0.73 O +ATOM 999 OE2 GLU A 124 -9.581 -9.871 -9.847 1.00 0.73 O +ATOM 1000 N GLY A 125 -11.130 -4.885 -11.486 1.00 1.22 N +ATOM 1001 CA GLY A 125 -10.002 -4.028 -11.815 1.00 1.22 C +ATOM 1002 C GLY A 125 -10.140 -2.622 -11.264 1.00 1.22 C +ATOM 1003 O GLY A 125 -9.177 -2.057 -10.741 1.00 1.22 O +ATOM 1004 N TYR A 126 -11.306 -2.113 -11.299 1.00 0.71 N +ATOM 1005 CA TYR A 126 -11.599 -0.798 -10.740 1.00 0.71 C +ATOM 1006 C TYR A 126 -11.408 -0.793 -9.228 1.00 0.71 C +ATOM 1007 CB TYR A 126 -13.030 -0.374 -11.086 1.00 0.71 C +ATOM 1008 O TYR A 126 -10.665 0.033 -8.693 1.00 0.71 O +ATOM 1009 CG TYR A 126 -13.435 0.948 -10.480 1.00 0.71 C +ATOM 1010 CD1 TYR A 126 -13.071 2.152 -11.079 1.00 0.71 C +ATOM 1011 CD2 TYR A 126 -14.180 0.996 -9.307 1.00 0.71 C +ATOM 1012 CE1 TYR A 126 -13.440 3.372 -10.523 1.00 0.71 C +ATOM 1013 CE2 TYR A 126 -14.555 2.211 -8.742 1.00 0.71 C +ATOM 1014 OH TYR A 126 -14.549 4.597 -8.802 1.00 0.71 O +ATOM 1015 CZ TYR A 126 -14.181 3.391 -9.357 1.00 0.71 C +ATOM 1016 N VAL A 127 -11.975 -1.706 -8.537 1.00 3.37 N +ATOM 1017 CA VAL A 127 -11.931 -1.716 -7.078 1.00 3.37 C +ATOM 1018 C VAL A 127 -10.508 -2.007 -6.606 1.00 3.37 C +ATOM 1019 CB VAL A 127 -12.912 -2.755 -6.488 1.00 3.37 C +ATOM 1020 O VAL A 127 -9.996 -1.334 -5.708 1.00 3.37 O +ATOM 1021 CG1 VAL A 127 -12.776 -2.823 -4.968 1.00 3.37 C +ATOM 1022 CG2 VAL A 127 -14.348 -2.417 -6.886 1.00 3.37 C +ATOM 1023 N VAL A 128 -9.762 -2.908 -7.237 1.00 0.73 N +ATOM 1024 CA VAL A 128 -8.369 -3.228 -6.943 1.00 0.73 C +ATOM 1025 C VAL A 128 -7.498 -1.993 -7.162 1.00 0.73 C +ATOM 1026 CB VAL A 128 -7.860 -4.400 -7.812 1.00 0.73 C +ATOM 1027 O VAL A 128 -6.680 -1.643 -6.308 1.00 0.73 O +ATOM 1028 CG1 VAL A 128 -6.347 -4.556 -7.674 1.00 0.73 C +ATOM 1029 CG2 VAL A 128 -8.571 -5.696 -7.428 1.00 0.73 C +ATOM 1030 N SER A 129 -7.732 -1.265 -8.225 1.00 3.09 N +ATOM 1031 CA SER A 129 -6.967 -0.062 -8.534 1.00 3.09 C +ATOM 1032 C SER A 129 -7.274 1.058 -7.546 1.00 3.09 C +ATOM 1033 CB SER A 129 -7.263 0.410 -9.959 1.00 3.09 C +ATOM 1034 O SER A 129 -6.360 1.697 -7.020 1.00 3.09 O +ATOM 1035 OG SER A 129 -6.913 -0.589 -10.902 1.00 3.09 O +ATOM 1036 N VAL A 130 -8.546 1.256 -7.206 1.00 0.06 N +ATOM 1037 CA VAL A 130 -8.954 2.279 -6.249 1.00 0.06 C +ATOM 1038 C VAL A 130 -8.357 1.972 -4.878 1.00 0.06 C +ATOM 1039 CB VAL A 130 -10.492 2.382 -6.150 1.00 0.06 C +ATOM 1040 O VAL A 130 -7.738 2.838 -4.255 1.00 0.06 O +ATOM 1041 CG1 VAL A 130 -10.900 3.222 -4.941 1.00 0.06 C +ATOM 1042 CG2 VAL A 130 -11.071 2.973 -7.434 1.00 0.06 C +ATOM 1043 N CYS A 131 -8.444 0.743 -4.413 1.00 0.49 N +ATOM 1044 CA CYS A 131 -7.914 0.323 -3.121 1.00 0.49 C +ATOM 1045 C CYS A 131 -6.392 0.393 -3.107 1.00 0.49 C +ATOM 1046 CB CYS A 131 -8.371 -1.098 -2.790 1.00 0.49 C +ATOM 1047 O CYS A 131 -5.800 0.959 -2.186 1.00 0.49 O +ATOM 1048 SG CYS A 131 -10.132 -1.226 -2.410 1.00 0.49 S +ATOM 1049 N GLY A 132 -5.704 -0.095 -4.170 1.00 0.00 N +ATOM 1050 CA GLY A 132 -4.256 -0.037 -4.294 1.00 0.00 C +ATOM 1051 C GLY A 132 -3.715 1.380 -4.323 1.00 0.00 C +ATOM 1052 O GLY A 132 -2.781 1.708 -3.590 1.00 0.00 O +ATOM 1053 N ILE A 133 -4.340 2.288 -5.040 1.00 1.76 N +ATOM 1054 CA ILE A 133 -3.951 3.691 -5.128 1.00 1.76 C +ATOM 1055 C ILE A 133 -4.227 4.387 -3.797 1.00 1.76 C +ATOM 1056 CB ILE A 133 -4.695 4.413 -6.274 1.00 1.76 C +ATOM 1057 O ILE A 133 -3.384 5.134 -3.293 1.00 1.76 O +ATOM 1058 CG1 ILE A 133 -4.192 3.916 -7.634 1.00 1.76 C +ATOM 1059 CG2 ILE A 133 -4.531 5.931 -6.152 1.00 1.76 C +ATOM 1060 CD1 ILE A 133 -5.042 4.369 -8.812 1.00 1.76 C +ATOM 1061 N ALA A 134 -5.356 4.104 -3.165 1.00 0.00 N +ATOM 1062 CA ALA A 134 -5.680 4.664 -1.856 1.00 0.00 C +ATOM 1063 C ALA A 134 -4.686 4.195 -0.797 1.00 0.00 C +ATOM 1064 CB ALA A 134 -7.102 4.282 -1.451 1.00 0.00 C +ATOM 1065 O ALA A 134 -4.222 4.990 0.024 1.00 0.00 O +ATOM 1066 N GLY A 135 -4.271 2.931 -0.805 1.00 0.09 N +ATOM 1067 CA GLY A 135 -3.220 2.394 0.044 1.00 0.09 C +ATOM 1068 C GLY A 135 -1.880 3.073 -0.164 1.00 0.09 C +ATOM 1069 O GLY A 135 -1.247 3.518 0.796 1.00 0.09 O +ATOM 1070 N LEU A 136 -1.510 3.314 -1.383 1.00 0.00 N +ATOM 1071 CA LEU A 136 -0.238 3.941 -1.724 1.00 0.00 C +ATOM 1072 C LEU A 136 -0.212 5.398 -1.273 1.00 0.00 C +ATOM 1073 CB LEU A 136 0.014 3.857 -3.232 1.00 0.00 C +ATOM 1074 O LEU A 136 0.769 5.851 -0.679 1.00 0.00 O +ATOM 1075 CG LEU A 136 1.342 4.431 -3.730 1.00 0.00 C +ATOM 1076 CD1 LEU A 136 2.512 3.709 -3.070 1.00 0.00 C +ATOM 1077 CD2 LEU A 136 1.432 4.329 -5.249 1.00 0.00 C +ATOM 1078 N TRP A 137 -1.249 6.101 -1.470 1.00 0.00 N +ATOM 1079 CA TRP A 137 -1.353 7.486 -1.023 1.00 0.00 C +ATOM 1080 C TRP A 137 -1.450 7.562 0.497 1.00 0.00 C +ATOM 1081 CB TRP A 137 -2.567 8.168 -1.660 1.00 0.00 C +ATOM 1082 O TRP A 137 -0.948 8.506 1.111 1.00 0.00 O +ATOM 1083 CG TRP A 137 -2.304 8.730 -3.025 1.00 0.00 C +ATOM 1084 CD1 TRP A 137 -2.666 8.184 -4.225 1.00 0.00 C +ATOM 1085 CD2 TRP A 137 -1.615 9.947 -3.329 1.00 0.00 C +ATOM 1086 CE2 TRP A 137 -1.598 10.077 -4.735 1.00 0.00 C +ATOM 1087 CE3 TRP A 137 -1.012 10.941 -2.548 1.00 0.00 C +ATOM 1088 NE1 TRP A 137 -2.245 8.990 -5.257 1.00 0.00 N +ATOM 1089 CH2 TRP A 137 -0.416 12.123 -4.589 1.00 0.00 C +ATOM 1090 CZ2 TRP A 137 -1.000 11.164 -5.377 1.00 0.00 C +ATOM 1091 CZ3 TRP A 137 -0.417 12.022 -3.188 1.00 0.00 C +ATOM 1092 N SER A 138 -1.974 6.543 1.197 1.00 0.00 N +ATOM 1093 CA SER A 138 -1.923 6.435 2.652 1.00 0.00 C +ATOM 1094 C SER A 138 -0.484 6.341 3.149 1.00 0.00 C +ATOM 1095 CB SER A 138 -2.716 5.218 3.128 1.00 0.00 C +ATOM 1096 O SER A 138 -0.101 7.038 4.091 1.00 0.00 O +ATOM 1097 OG SER A 138 -4.085 5.345 2.787 1.00 0.00 O +ATOM 1098 N LEU A 139 0.359 5.603 2.478 1.00 0.00 N +ATOM 1099 CA LEU A 139 1.778 5.511 2.804 1.00 0.00 C +ATOM 1100 C LEU A 139 2.475 6.848 2.579 1.00 0.00 C +ATOM 1101 CB LEU A 139 2.451 4.422 1.964 1.00 0.00 C +ATOM 1102 O LEU A 139 3.336 7.245 3.368 1.00 0.00 O +ATOM 1103 CG LEU A 139 2.040 2.981 2.266 1.00 0.00 C +ATOM 1104 CD1 LEU A 139 2.653 2.029 1.244 1.00 0.00 C +ATOM 1105 CD2 LEU A 139 2.454 2.592 3.682 1.00 0.00 C +ATOM 1106 N THR A 140 2.087 7.624 1.555 1.00 0.00 N +ATOM 1107 CA THR A 140 2.588 8.966 1.282 1.00 0.00 C +ATOM 1108 C THR A 140 2.218 9.922 2.412 1.00 0.00 C +ATOM 1109 CB THR A 140 2.038 9.507 -0.051 1.00 0.00 C +ATOM 1110 O THR A 140 3.067 10.668 2.905 1.00 0.00 O +ATOM 1111 CG2 THR A 140 2.638 10.870 -0.381 1.00 0.00 C +ATOM 1112 OG1 THR A 140 2.362 8.588 -1.102 1.00 0.00 O +ATOM 1113 N VAL A 141 0.997 9.849 2.934 1.00 0.15 N +ATOM 1114 CA VAL A 141 0.511 10.687 4.025 1.00 0.15 C +ATOM 1115 C VAL A 141 1.232 10.320 5.320 1.00 0.15 C +ATOM 1116 CB VAL A 141 -1.017 10.551 4.209 1.00 0.15 C +ATOM 1117 O VAL A 141 1.607 11.198 6.100 1.00 0.15 O +ATOM 1118 CG1 VAL A 141 -1.492 11.372 5.405 1.00 0.15 C +ATOM 1119 CG2 VAL A 141 -1.747 10.980 2.938 1.00 0.15 C +ATOM 1120 N ILE A 142 1.533 9.015 5.569 1.00 0.00 N +ATOM 1121 CA ILE A 142 2.335 8.559 6.699 1.00 0.00 C +ATOM 1122 C ILE A 142 3.741 9.148 6.604 1.00 0.00 C +ATOM 1123 CB ILE A 142 2.402 7.017 6.759 1.00 0.00 C +ATOM 1124 O ILE A 142 4.264 9.683 7.584 1.00 0.00 O +ATOM 1125 CG1 ILE A 142 1.045 6.439 7.175 1.00 0.00 C +ATOM 1126 CG2 ILE A 142 3.508 6.561 7.715 1.00 0.00 C +ATOM 1127 CD1 ILE A 142 0.907 4.943 6.927 1.00 0.00 C +ATOM 1128 N SER A 143 4.356 9.125 5.438 1.00 0.00 N +ATOM 1129 CA SER A 143 5.700 9.644 5.208 1.00 0.00 C +ATOM 1130 C SER A 143 5.750 11.156 5.403 1.00 0.00 C +ATOM 1131 CB SER A 143 6.180 9.287 3.801 1.00 0.00 C +ATOM 1132 O SER A 143 6.666 11.674 6.045 1.00 0.00 O +ATOM 1133 OG SER A 143 6.162 7.884 3.604 1.00 0.00 O +ATOM 1134 N TRP A 144 4.734 11.862 4.932 1.00 0.00 N +ATOM 1135 CA TRP A 144 4.574 13.303 5.094 1.00 0.00 C +ATOM 1136 C TRP A 144 4.369 13.667 6.561 1.00 0.00 C +ATOM 1137 CB TRP A 144 3.394 13.811 4.260 1.00 0.00 C +ATOM 1138 O TRP A 144 5.013 14.585 7.075 1.00 0.00 O +ATOM 1139 CG TRP A 144 3.109 15.272 4.435 1.00 0.00 C +ATOM 1140 CD1 TRP A 144 2.135 15.834 5.212 1.00 0.00 C +ATOM 1141 CD2 TRP A 144 3.803 16.358 3.814 1.00 0.00 C +ATOM 1142 CE2 TRP A 144 3.196 17.553 4.261 1.00 0.00 C +ATOM 1143 CE3 TRP A 144 4.881 16.438 2.922 1.00 0.00 C +ATOM 1144 NE1 TRP A 144 2.182 17.206 5.112 1.00 0.00 N +ATOM 1145 CH2 TRP A 144 4.689 18.862 2.973 1.00 0.00 C +ATOM 1146 CZ2 TRP A 144 3.633 18.813 3.846 1.00 0.00 C +ATOM 1147 CZ3 TRP A 144 5.314 17.693 2.510 1.00 0.00 C +ATOM 1148 N GLU A 145 3.571 12.948 7.326 1.00 0.00 N +ATOM 1149 CA GLU A 145 3.406 13.102 8.769 1.00 0.00 C +ATOM 1150 C GLU A 145 4.740 12.959 9.495 1.00 0.00 C +ATOM 1151 CB GLU A 145 2.401 12.081 9.308 1.00 0.00 C +ATOM 1152 O GLU A 145 5.125 13.832 10.276 1.00 0.00 O +ATOM 1153 CG GLU A 145 2.124 12.218 10.798 1.00 0.00 C +ATOM 1154 CD GLU A 145 3.123 11.469 11.665 1.00 0.00 C +ATOM 1155 OE1 GLU A 145 3.784 10.533 11.160 1.00 0.00 O +ATOM 1156 OE2 GLU A 145 3.246 11.821 12.860 1.00 0.00 O +ATOM 1157 N ARG A 146 5.508 11.910 9.228 1.00 0.00 N +ATOM 1158 CA ARG A 146 6.815 11.677 9.835 1.00 0.00 C +ATOM 1159 C ARG A 146 7.769 12.830 9.540 1.00 0.00 C +ATOM 1160 CB ARG A 146 7.413 10.360 9.336 1.00 0.00 C +ATOM 1161 O ARG A 146 8.452 13.323 10.440 1.00 0.00 O +ATOM 1162 CG ARG A 146 6.693 9.123 9.848 1.00 0.00 C +ATOM 1163 CD ARG A 146 6.763 9.018 11.366 1.00 0.00 C +ATOM 1164 NE ARG A 146 5.987 7.886 11.864 1.00 0.00 N +ATOM 1165 NH1 ARG A 146 6.182 8.467 14.091 1.00 0.00 N +ATOM 1166 NH2 ARG A 146 5.012 6.590 13.490 1.00 0.00 N +ATOM 1167 CZ ARG A 146 5.729 7.650 13.147 1.00 0.00 C +ATOM 1168 N TRP A 147 7.776 13.302 8.304 1.00 0.00 N +ATOM 1169 CA TRP A 147 8.602 14.438 7.908 1.00 0.00 C +ATOM 1170 C TRP A 147 8.218 15.689 8.690 1.00 0.00 C +ATOM 1171 CB TRP A 147 8.471 14.700 6.405 1.00 0.00 C +ATOM 1172 O TRP A 147 9.079 16.357 9.266 1.00 0.00 O +ATOM 1173 CG TRP A 147 9.079 15.996 5.958 1.00 0.00 C +ATOM 1174 CD1 TRP A 147 10.395 16.359 6.037 1.00 0.00 C +ATOM 1175 CD2 TRP A 147 8.391 17.102 5.367 1.00 0.00 C +ATOM 1176 CE2 TRP A 147 9.354 18.104 5.111 1.00 0.00 C +ATOM 1177 CE3 TRP A 147 7.053 17.344 5.028 1.00 0.00 C +ATOM 1178 NE1 TRP A 147 10.567 17.626 5.529 1.00 0.00 N +ATOM 1179 CH2 TRP A 147 7.704 19.541 4.209 1.00 0.00 C +ATOM 1180 CZ2 TRP A 147 9.019 19.330 4.531 1.00 0.00 C +ATOM 1181 CZ3 TRP A 147 6.723 18.565 4.450 1.00 0.00 C +ATOM 1182 N VAL A 148 6.944 16.050 8.836 1.00 0.00 N +ATOM 1183 CA VAL A 148 6.450 17.216 9.562 1.00 0.00 C +ATOM 1184 C VAL A 148 6.815 17.098 11.040 1.00 0.00 C +ATOM 1185 CB VAL A 148 4.922 17.379 9.402 1.00 0.00 C +ATOM 1186 O VAL A 148 7.322 18.050 11.638 1.00 0.00 O +ATOM 1187 CG1 VAL A 148 4.393 18.460 10.343 1.00 0.00 C +ATOM 1188 CG2 VAL A 148 4.570 17.710 7.952 1.00 0.00 C +ATOM 1189 N VAL A 149 6.665 15.945 11.675 1.00 0.00 N +ATOM 1190 CA VAL A 149 6.877 15.709 13.099 1.00 0.00 C +ATOM 1191 C VAL A 149 8.370 15.761 13.416 1.00 0.00 C +ATOM 1192 CB VAL A 149 6.285 14.352 13.544 1.00 0.00 C +ATOM 1193 O VAL A 149 8.777 16.348 14.421 1.00 0.00 O +ATOM 1194 CG1 VAL A 149 6.747 13.998 14.956 1.00 0.00 C +ATOM 1195 CG2 VAL A 149 4.760 14.386 13.470 1.00 0.00 C +ATOM 1196 N VAL A 150 9.258 15.241 12.571 1.00 0.00 N +ATOM 1197 CA VAL A 150 10.685 15.102 12.839 1.00 0.00 C +ATOM 1198 C VAL A 150 11.419 16.368 12.402 1.00 0.00 C +ATOM 1199 CB VAL A 150 11.280 13.868 12.124 1.00 0.00 C +ATOM 1200 O VAL A 150 12.260 16.890 13.138 1.00 0.00 O +ATOM 1201 CG1 VAL A 150 12.800 13.837 12.274 1.00 0.00 C +ATOM 1202 CG2 VAL A 150 10.660 12.584 12.673 1.00 0.00 C +ATOM 1203 N CYS A 151 11.164 16.929 11.206 1.00 0.00 N +ATOM 1204 CA CYS A 151 11.942 18.007 10.606 1.00 0.00 C +ATOM 1205 C CYS A 151 11.473 19.365 11.113 1.00 0.00 C +ATOM 1206 CB CYS A 151 11.840 17.958 9.082 1.00 0.00 C +ATOM 1207 O CYS A 151 12.202 20.354 11.016 1.00 0.00 O +ATOM 1208 SG CYS A 151 12.587 16.486 8.349 1.00 0.00 S +ATOM 1209 N LYS A 152 10.331 19.499 11.501 1.00 0.00 N +ATOM 1210 CA LYS A 152 9.850 20.805 11.942 1.00 0.00 C +ATOM 1211 C LYS A 152 9.535 20.798 13.436 1.00 0.00 C +ATOM 1212 CB LYS A 152 8.611 21.218 11.147 1.00 0.00 C +ATOM 1213 O LYS A 152 8.467 21.253 13.852 1.00 0.00 O +ATOM 1214 CG LYS A 152 8.888 21.519 9.682 1.00 0.00 C +ATOM 1215 CD LYS A 152 7.702 22.209 9.019 1.00 0.00 C +ATOM 1216 CE LYS A 152 7.997 22.557 7.566 1.00 0.00 C +ATOM 1217 NZ LYS A 152 6.826 23.204 6.903 1.00 0.00 N +ATOM 1218 N PRO A 153 10.631 20.264 14.183 1.00 0.00 N +ATOM 1219 CA PRO A 153 10.362 20.198 15.622 1.00 0.00 C +ATOM 1220 C PRO A 153 10.122 21.574 16.240 1.00 0.00 C +ATOM 1221 CB PRO A 153 11.631 19.558 16.189 1.00 0.00 C +ATOM 1222 O PRO A 153 9.437 21.685 17.260 1.00 0.00 O +ATOM 1223 CG PRO A 153 12.690 19.846 15.175 1.00 0.00 C +ATOM 1224 CD PRO A 153 12.050 19.900 13.818 1.00 0.00 C +ATOM 1225 N PHE A 154 10.638 22.643 15.537 1.00 0.00 N +ATOM 1226 CA PHE A 154 10.577 23.985 16.105 1.00 0.00 C +ATOM 1227 C PHE A 154 9.371 24.746 15.567 1.00 0.00 C +ATOM 1228 CB PHE A 154 11.864 24.758 15.802 1.00 0.00 C +ATOM 1229 O PHE A 154 9.071 25.849 16.027 1.00 0.00 O +ATOM 1230 CG PHE A 154 13.098 24.141 16.404 1.00 0.00 C +ATOM 1231 CD1 PHE A 154 13.324 24.200 17.774 1.00 0.00 C +ATOM 1232 CD2 PHE A 154 14.033 23.503 15.599 1.00 0.00 C +ATOM 1233 CE1 PHE A 154 14.465 23.631 18.333 1.00 0.00 C +ATOM 1234 CE2 PHE A 154 15.176 22.932 16.151 1.00 0.00 C +ATOM 1235 CZ PHE A 154 15.391 22.998 17.518 1.00 0.00 C +ATOM 1236 N GLY A 155 8.625 24.099 14.779 1.00 0.00 N +ATOM 1237 CA GLY A 155 7.357 24.638 14.314 1.00 0.00 C +ATOM 1238 C GLY A 155 6.162 24.087 15.069 1.00 0.00 C +ATOM 1239 O GLY A 155 6.063 22.878 15.288 1.00 0.00 O +ATOM 1240 N ASN A 156 5.306 24.963 15.703 1.00 0.00 N +ATOM 1241 CA ASN A 156 4.024 24.628 16.315 1.00 0.00 C +ATOM 1242 C ASN A 156 3.151 23.805 15.372 1.00 0.00 C +ATOM 1243 CB ASN A 156 3.288 25.898 16.747 1.00 0.00 C +ATOM 1244 O ASN A 156 1.939 23.707 15.569 1.00 0.00 O +ATOM 1245 CG ASN A 156 3.905 26.541 17.974 1.00 0.00 C +ATOM 1246 ND2 ASN A 156 3.687 27.841 18.134 1.00 0.00 N +ATOM 1247 OD1 ASN A 156 4.573 25.876 18.770 1.00 0.00 O +ATOM 1248 N VAL A 157 3.688 23.282 14.269 1.00 0.00 N +ATOM 1249 CA VAL A 157 2.854 22.495 13.367 1.00 0.00 C +ATOM 1250 C VAL A 157 2.710 21.073 13.904 1.00 0.00 C +ATOM 1251 CB VAL A 157 3.434 22.468 11.935 1.00 0.00 C +ATOM 1252 O VAL A 157 3.560 20.217 13.648 1.00 0.00 O +ATOM 1253 CG1 VAL A 157 2.487 21.739 10.983 1.00 0.00 C +ATOM 1254 CG2 VAL A 157 3.703 23.889 11.443 1.00 0.00 C +ATOM 1255 N ARG A 158 1.647 20.876 14.615 1.00 0.00 N +ATOM 1256 CA ARG A 158 1.169 19.550 14.993 1.00 0.00 C +ATOM 1257 C ARG A 158 0.389 18.904 13.853 1.00 0.00 C +ATOM 1258 CB ARG A 158 0.296 19.630 16.246 1.00 0.00 C +ATOM 1259 O ARG A 158 -0.547 19.501 13.318 1.00 0.00 O +ATOM 1260 CG ARG A 158 1.046 20.073 17.493 1.00 0.00 C +ATOM 1261 CD ARG A 158 0.157 20.036 18.728 1.00 0.00 C +ATOM 1262 NE ARG A 158 0.896 20.400 19.934 1.00 0.00 N +ATOM 1263 NH1 ARG A 158 -0.895 20.119 21.366 1.00 0.00 N +ATOM 1264 NH2 ARG A 158 1.142 20.776 22.187 1.00 0.00 N +ATOM 1265 CZ ARG A 158 0.379 20.431 21.159 1.00 0.00 C +ATOM 1266 N PHE A 159 0.868 17.784 13.411 1.00 0.00 N +ATOM 1267 CA PHE A 159 0.013 16.958 12.566 1.00 0.00 C +ATOM 1268 C PHE A 159 -1.238 16.525 13.321 1.00 0.00 C +ATOM 1269 CB PHE A 159 0.777 15.728 12.066 1.00 0.00 C +ATOM 1270 O PHE A 159 -1.196 15.582 14.114 1.00 0.00 O +ATOM 1271 CG PHE A 159 0.145 15.066 10.871 1.00 0.00 C +ATOM 1272 CD1 PHE A 159 -0.823 14.082 11.035 1.00 0.00 C +ATOM 1273 CD2 PHE A 159 0.519 15.427 9.583 1.00 0.00 C +ATOM 1274 CE1 PHE A 159 -1.410 13.468 9.931 1.00 0.00 C +ATOM 1275 CE2 PHE A 159 -0.063 14.818 8.475 1.00 0.00 C +ATOM 1276 CZ PHE A 159 -1.026 13.837 8.652 1.00 0.00 C +ATOM 1277 N ASP A 160 -2.309 17.272 13.171 1.00 0.03 N +ATOM 1278 CA ASP A 160 -3.560 17.049 13.889 1.00 0.03 C +ATOM 1279 C ASP A 160 -4.463 16.079 13.130 1.00 0.03 C +ATOM 1280 CB ASP A 160 -4.289 18.375 14.121 1.00 0.03 C +ATOM 1281 O ASP A 160 -4.167 15.708 11.993 1.00 0.03 O +ATOM 1282 CG ASP A 160 -4.848 18.976 12.843 1.00 0.03 C +ATOM 1283 OD1 ASP A 160 -4.815 18.305 11.788 1.00 0.03 O +ATOM 1284 OD2 ASP A 160 -5.323 20.131 12.890 1.00 0.03 O +ATOM 1285 N GLY A 161 -5.570 15.630 13.744 1.00 0.17 N +ATOM 1286 CA GLY A 161 -6.505 14.678 13.168 1.00 0.17 C +ATOM 1287 C GLY A 161 -7.205 15.203 11.929 1.00 0.17 C +ATOM 1288 O GLY A 161 -7.620 14.426 11.067 1.00 0.17 O +ATOM 1289 N LYS A 162 -7.296 16.538 11.727 1.00 0.01 N +ATOM 1290 CA LYS A 162 -7.869 17.154 10.534 1.00 0.01 C +ATOM 1291 C LYS A 162 -6.994 16.899 9.310 1.00 0.01 C +ATOM 1292 CB LYS A 162 -8.054 18.658 10.742 1.00 0.01 C +ATOM 1293 O LYS A 162 -7.496 16.518 8.250 1.00 0.01 O +ATOM 1294 CG LYS A 162 -9.034 19.014 11.850 1.00 0.01 C +ATOM 1295 CD LYS A 162 -9.166 20.523 12.017 1.00 0.01 C +ATOM 1296 CE LYS A 162 -10.135 20.880 13.136 1.00 0.01 C +ATOM 1297 NZ LYS A 162 -10.179 22.352 13.381 1.00 0.01 N +ATOM 1298 N TRP A 163 -5.682 16.955 9.474 1.00 0.00 N +ATOM 1299 CA TRP A 163 -4.739 16.713 8.387 1.00 0.00 C +ATOM 1300 C TRP A 163 -4.722 15.239 7.998 1.00 0.00 C +ATOM 1301 CB TRP A 163 -3.332 17.165 8.786 1.00 0.00 C +ATOM 1302 O TRP A 163 -4.764 14.903 6.812 1.00 0.00 O +ATOM 1303 CG TRP A 163 -3.152 18.654 8.805 1.00 0.00 C +ATOM 1304 CD1 TRP A 163 -2.982 19.449 9.904 1.00 0.00 C +ATOM 1305 CD2 TRP A 163 -3.130 19.525 7.671 1.00 0.00 C +ATOM 1306 CE2 TRP A 163 -2.942 20.838 8.156 1.00 0.00 C +ATOM 1307 CE3 TRP A 163 -3.250 19.324 6.289 1.00 0.00 C +ATOM 1308 NE1 TRP A 163 -2.855 20.764 9.520 1.00 0.00 N +ATOM 1309 CH2 TRP A 163 -2.991 21.720 5.961 1.00 0.00 C +ATOM 1310 CZ2 TRP A 163 -2.871 21.946 7.307 1.00 0.00 C +ATOM 1311 CZ3 TRP A 163 -3.179 20.427 5.446 1.00 0.00 C +ATOM 1312 N ALA A 164 -4.783 14.397 8.965 1.00 0.00 N +ATOM 1313 CA ALA A 164 -4.875 12.963 8.702 1.00 0.00 C +ATOM 1314 C ALA A 164 -6.159 12.624 7.951 1.00 0.00 C +ATOM 1315 CB ALA A 164 -4.804 12.177 10.010 1.00 0.00 C +ATOM 1316 O ALA A 164 -6.122 11.954 6.917 1.00 0.00 O +ATOM 1317 N THR A 165 -7.292 13.171 8.385 1.00 0.68 N +ATOM 1318 CA THR A 165 -8.591 12.959 7.756 1.00 0.68 C +ATOM 1319 C THR A 165 -8.615 13.552 6.351 1.00 0.68 C +ATOM 1320 CB THR A 165 -9.725 13.575 8.596 1.00 0.68 C +ATOM 1321 O THR A 165 -9.060 12.900 5.403 1.00 0.68 O +ATOM 1322 CG2 THR A 165 -11.087 13.305 7.965 1.00 0.68 C +ATOM 1323 OG1 THR A 165 -9.700 13.008 9.912 1.00 0.68 O +ATOM 1324 N ALA A 166 -8.058 14.722 6.180 1.00 0.09 N +ATOM 1325 CA ALA A 166 -7.961 15.352 4.866 1.00 0.09 C +ATOM 1326 C ALA A 166 -7.101 14.519 3.920 1.00 0.09 C +ATOM 1327 CB ALA A 166 -7.393 16.763 4.994 1.00 0.09 C +ATOM 1328 O ALA A 166 -7.478 14.287 2.769 1.00 0.09 O +ATOM 1329 N GLY A 167 -5.999 14.010 4.378 1.00 0.00 N +ATOM 1330 CA GLY A 167 -5.139 13.124 3.609 1.00 0.00 C +ATOM 1331 C GLY A 167 -5.817 11.823 3.222 1.00 0.00 C +ATOM 1332 O GLY A 167 -5.714 11.380 2.076 1.00 0.00 O +ATOM 1333 N ILE A 168 -6.575 11.236 4.076 1.00 0.00 N +ATOM 1334 CA ILE A 168 -7.352 10.028 3.821 1.00 0.00 C +ATOM 1335 C ILE A 168 -8.424 10.315 2.773 1.00 0.00 C +ATOM 1336 CB ILE A 168 -7.999 9.489 5.117 1.00 0.00 C +ATOM 1337 O ILE A 168 -8.525 9.606 1.769 1.00 0.00 O +ATOM 1338 CG1 ILE A 168 -6.931 8.884 6.036 1.00 0.00 C +ATOM 1339 CG2 ILE A 168 -9.086 8.461 4.790 1.00 0.00 C +ATOM 1340 CD1 ILE A 168 -7.406 8.647 7.463 1.00 0.00 C +ATOM 1341 N ILE A 169 -9.211 11.372 2.929 1.00 0.44 N +ATOM 1342 CA ILE A 169 -10.263 11.759 1.996 1.00 0.44 C +ATOM 1343 C ILE A 169 -9.654 12.066 0.630 1.00 0.44 C +ATOM 1344 CB ILE A 169 -11.059 12.978 2.514 1.00 0.44 C +ATOM 1345 O ILE A 169 -10.131 11.574 -0.395 1.00 0.44 O +ATOM 1346 CG1 ILE A 169 -11.904 12.586 3.731 1.00 0.44 C +ATOM 1347 CG2 ILE A 169 -11.935 13.563 1.403 1.00 0.44 C +ATOM 1348 CD1 ILE A 169 -12.499 13.771 4.479 1.00 0.44 C +ATOM 1349 N PHE A 170 -8.566 12.777 0.596 1.00 0.27 N +ATOM 1350 CA PHE A 170 -7.830 13.080 -0.626 1.00 0.27 C +ATOM 1351 C PHE A 170 -7.381 11.799 -1.319 1.00 0.27 C +ATOM 1352 CB PHE A 170 -6.618 13.964 -0.319 1.00 0.27 C +ATOM 1353 O PHE A 170 -7.597 11.629 -2.520 1.00 0.27 O +ATOM 1354 CG PHE A 170 -5.721 14.197 -1.505 1.00 0.27 C +ATOM 1355 CD1 PHE A 170 -6.029 15.172 -2.446 1.00 0.27 C +ATOM 1356 CD2 PHE A 170 -4.569 13.440 -1.679 1.00 0.27 C +ATOM 1357 CE1 PHE A 170 -5.201 15.390 -3.545 1.00 0.27 C +ATOM 1358 CE2 PHE A 170 -3.737 13.652 -2.774 1.00 0.27 C +ATOM 1359 CZ PHE A 170 -4.055 14.626 -3.707 1.00 0.27 C +ATOM 1360 N SER A 171 -6.857 10.817 -0.613 1.00 0.02 N +ATOM 1361 CA SER A 171 -6.361 9.572 -1.191 1.00 0.02 C +ATOM 1362 C SER A 171 -7.478 8.802 -1.887 1.00 0.02 C +ATOM 1363 CB SER A 171 -5.723 8.696 -0.111 1.00 0.02 C +ATOM 1364 O SER A 171 -7.302 8.320 -3.008 1.00 0.02 O +ATOM 1365 OG SER A 171 -6.709 8.190 0.772 1.00 0.02 O +ATOM 1366 N TRP A 172 -8.681 8.732 -1.308 1.00 0.00 N +ATOM 1367 CA TRP A 172 -9.820 8.009 -1.862 1.00 0.00 C +ATOM 1368 C TRP A 172 -10.426 8.765 -3.039 1.00 0.00 C +ATOM 1369 CB TRP A 172 -10.885 7.777 -0.785 1.00 0.00 C +ATOM 1370 O TRP A 172 -10.680 8.182 -4.096 1.00 0.00 O +ATOM 1371 CG TRP A 172 -10.574 6.641 0.143 1.00 0.00 C +ATOM 1372 CD1 TRP A 172 -10.077 6.729 1.414 1.00 0.00 C +ATOM 1373 CD2 TRP A 172 -10.736 5.246 -0.129 1.00 0.00 C +ATOM 1374 CE2 TRP A 172 -10.318 4.544 1.023 1.00 0.00 C +ATOM 1375 CE3 TRP A 172 -11.196 4.521 -1.236 1.00 0.00 C +ATOM 1376 NE1 TRP A 172 -9.921 5.471 1.948 1.00 0.00 N +ATOM 1377 CH2 TRP A 172 -10.800 2.464 0.001 1.00 0.00 C +ATOM 1378 CZ2 TRP A 172 -10.346 3.149 1.098 1.00 0.00 C +ATOM 1379 CZ3 TRP A 172 -11.223 3.133 -1.159 1.00 0.00 C +ATOM 1380 N ILE A 173 -10.599 10.121 -2.949 1.00 0.50 N +ATOM 1381 CA ILE A 173 -11.102 10.931 -4.053 1.00 0.50 C +ATOM 1382 C ILE A 173 -10.137 10.851 -5.234 1.00 0.50 C +ATOM 1383 CB ILE A 173 -11.306 12.403 -3.627 1.00 0.50 C +ATOM 1384 O ILE A 173 -10.555 10.619 -6.371 1.00 0.50 O +ATOM 1385 CG1 ILE A 173 -12.475 12.516 -2.642 1.00 0.50 C +ATOM 1386 CG2 ILE A 173 -11.534 13.293 -4.852 1.00 0.50 C +ATOM 1387 CD1 ILE A 173 -12.648 13.905 -2.044 1.00 0.50 C +ATOM 1388 N TRP A 174 -8.852 10.938 -4.972 1.00 0.00 N +ATOM 1389 CA TRP A 174 -7.807 10.826 -5.985 1.00 0.00 C +ATOM 1390 C TRP A 174 -7.849 9.461 -6.663 1.00 0.00 C +ATOM 1391 CB TRP A 174 -6.428 11.058 -5.362 1.00 0.00 C +ATOM 1392 O TRP A 174 -7.908 9.373 -7.891 1.00 0.00 O +ATOM 1393 CG TRP A 174 -5.305 11.068 -6.356 1.00 0.00 C +ATOM 1394 CD1 TRP A 174 -4.530 10.006 -6.734 1.00 0.00 C +ATOM 1395 CD2 TRP A 174 -4.828 12.196 -7.095 1.00 0.00 C +ATOM 1396 CE2 TRP A 174 -3.761 11.745 -7.904 1.00 0.00 C +ATOM 1397 CE3 TRP A 174 -5.200 13.546 -7.153 1.00 0.00 C +ATOM 1398 NE1 TRP A 174 -3.600 10.407 -7.665 1.00 0.00 N +ATOM 1399 CH2 TRP A 174 -3.446 13.913 -8.799 1.00 0.00 C +ATOM 1400 CZ2 TRP A 174 -3.062 12.598 -8.762 1.00 0.00 C +ATOM 1401 CZ3 TRP A 174 -4.503 14.393 -8.007 1.00 0.00 C +ATOM 1402 N ALA A 175 -7.944 8.357 -5.889 1.00 2.21 N +ATOM 1403 CA ALA A 175 -8.013 6.986 -6.390 1.00 2.21 C +ATOM 1404 C ALA A 175 -9.251 6.783 -7.260 1.00 2.21 C +ATOM 1405 CB ALA A 175 -8.014 5.995 -5.229 1.00 2.21 C +ATOM 1406 O ALA A 175 -9.153 6.276 -8.380 1.00 2.21 O +ATOM 1407 N ILE A 176 -10.414 7.243 -6.836 1.00 0.02 N +ATOM 1408 CA ILE A 176 -11.677 7.111 -7.555 1.00 0.02 C +ATOM 1409 C ILE A 176 -11.605 7.884 -8.870 1.00 0.02 C +ATOM 1410 CB ILE A 176 -12.866 7.610 -6.704 1.00 0.02 C +ATOM 1411 O ILE A 176 -11.944 7.351 -9.929 1.00 0.02 O +ATOM 1412 CG1 ILE A 176 -13.156 6.628 -5.563 1.00 0.02 C +ATOM 1413 CG2 ILE A 176 -14.107 7.815 -7.578 1.00 0.02 C +ATOM 1414 CD1 ILE A 176 -14.027 7.205 -4.456 1.00 0.02 C +ATOM 1415 N LEU A 177 -11.080 9.108 -8.856 1.00 0.34 N +ATOM 1416 CA LEU A 177 -10.999 9.963 -10.036 1.00 0.34 C +ATOM 1417 C LEU A 177 -10.059 9.365 -11.077 1.00 0.34 C +ATOM 1418 CB LEU A 177 -10.525 11.366 -9.650 1.00 0.34 C +ATOM 1419 O LEU A 177 -10.395 9.306 -12.262 1.00 0.34 O +ATOM 1420 CG LEU A 177 -11.536 12.244 -8.910 1.00 0.34 C +ATOM 1421 CD1 LEU A 177 -10.886 13.555 -8.481 1.00 0.34 C +ATOM 1422 CD2 LEU A 177 -12.757 12.508 -9.785 1.00 0.34 C +ATOM 1423 N TRP A 178 -8.950 8.740 -10.656 1.00 0.00 N +ATOM 1424 CA TRP A 178 -7.942 8.210 -11.569 1.00 0.00 C +ATOM 1425 C TRP A 178 -8.345 6.834 -12.086 1.00 0.00 C +ATOM 1426 CB TRP A 178 -6.579 8.130 -10.876 1.00 0.00 C +ATOM 1427 O TRP A 178 -7.955 6.438 -13.187 1.00 0.00 O +ATOM 1428 CG TRP A 178 -5.819 9.423 -10.874 1.00 0.00 C +ATOM 1429 CD1 TRP A 178 -5.639 10.271 -9.817 1.00 0.00 C +ATOM 1430 CD2 TRP A 178 -5.141 10.016 -11.985 1.00 0.00 C +ATOM 1431 CE2 TRP A 178 -4.571 11.225 -11.529 1.00 0.00 C +ATOM 1432 CE3 TRP A 178 -4.960 9.643 -13.324 1.00 0.00 C +ATOM 1433 NE1 TRP A 178 -4.889 11.357 -10.204 1.00 0.00 N +ATOM 1434 CH2 TRP A 178 -3.668 11.675 -13.670 1.00 0.00 C +ATOM 1435 CZ2 TRP A 178 -3.830 12.064 -12.366 1.00 0.00 C +ATOM 1436 CZ3 TRP A 178 -4.223 10.479 -14.154 1.00 0.00 C +ATOM 1437 N CYS A 179 -9.203 6.173 -11.388 1.00 0.00 N +ATOM 1438 CA CYS A 179 -9.655 4.851 -11.806 1.00 0.00 C +ATOM 1439 C CYS A 179 -10.967 4.941 -12.576 1.00 0.00 C +ATOM 1440 CB CYS A 179 -9.826 3.935 -10.595 1.00 0.00 C +ATOM 1441 O CYS A 179 -11.442 3.943 -13.121 1.00 0.00 O +ATOM 1442 SG CYS A 179 -8.278 3.557 -9.743 1.00 0.00 S +ATOM 1443 N ALA A 180 -11.563 6.124 -12.744 1.00 0.75 N +ATOM 1444 CA ALA A 180 -12.873 6.309 -13.362 1.00 0.75 C +ATOM 1445 C ALA A 180 -12.787 6.172 -14.879 1.00 0.75 C +ATOM 1446 CB ALA A 180 -13.453 7.670 -12.985 1.00 0.75 C +ATOM 1447 O ALA A 180 -13.686 5.611 -15.510 1.00 0.75 O +ATOM 1448 N PRO A 181 -11.748 6.568 -15.577 1.00 0.00 N +ATOM 1449 CA PRO A 181 -11.753 6.660 -17.038 1.00 0.00 C +ATOM 1450 C PRO A 181 -12.010 5.315 -17.713 1.00 0.00 C +ATOM 1451 CB PRO A 181 -10.349 7.175 -17.364 1.00 0.00 C +ATOM 1452 O PRO A 181 -12.778 5.239 -18.675 1.00 0.00 O +ATOM 1453 CG PRO A 181 -9.973 8.027 -16.195 1.00 0.00 C +ATOM 1454 CD PRO A 181 -10.476 7.367 -14.943 1.00 0.00 C +ATOM 1455 N PRO A 182 -11.527 4.139 -17.175 1.00 0.00 N +ATOM 1456 CA PRO A 182 -11.830 2.842 -17.785 1.00 0.00 C +ATOM 1457 C PRO A 182 -13.313 2.488 -17.713 1.00 0.00 C +ATOM 1458 CB PRO A 182 -10.993 1.861 -16.961 1.00 0.00 C +ATOM 1459 O PRO A 182 -13.838 1.824 -18.610 1.00 0.00 O +ATOM 1460 CG PRO A 182 -9.839 2.669 -16.461 1.00 0.00 C +ATOM 1461 CD PRO A 182 -10.324 4.058 -16.160 1.00 0.00 C +ATOM 1462 N ILE A 183 -14.047 2.912 -16.759 1.00 0.03 N +ATOM 1463 CA ILE A 183 -15.479 2.683 -16.601 1.00 0.03 C +ATOM 1464 C ILE A 183 -16.244 3.422 -17.696 1.00 0.03 C +ATOM 1465 CB ILE A 183 -15.973 3.130 -15.207 1.00 0.03 C +ATOM 1466 O ILE A 183 -17.255 2.927 -18.199 1.00 0.03 O +ATOM 1467 CG1 ILE A 183 -15.262 2.333 -14.107 1.00 0.03 C +ATOM 1468 CG2 ILE A 183 -17.493 2.978 -15.098 1.00 0.03 C +ATOM 1469 CD1 ILE A 183 -15.604 2.786 -12.694 1.00 0.03 C +ATOM 1470 N PHE A 184 -15.656 4.541 -18.139 1.00 0.07 N +ATOM 1471 CA PHE A 184 -16.293 5.380 -19.147 1.00 0.07 C +ATOM 1472 C PHE A 184 -15.836 4.987 -20.546 1.00 0.07 C +ATOM 1473 CB PHE A 184 -15.986 6.858 -18.890 1.00 0.07 C +ATOM 1474 O PHE A 184 -16.116 5.692 -21.518 1.00 0.07 O +ATOM 1475 CG PHE A 184 -16.561 7.383 -17.602 1.00 0.07 C +ATOM 1476 CD1 PHE A 184 -17.935 7.402 -17.395 1.00 0.07 C +ATOM 1477 CD2 PHE A 184 -15.727 7.858 -16.598 1.00 0.07 C +ATOM 1478 CE1 PHE A 184 -18.470 7.887 -16.204 1.00 0.07 C +ATOM 1479 CE2 PHE A 184 -16.255 8.344 -15.405 1.00 0.07 C +ATOM 1480 CZ PHE A 184 -17.627 8.359 -15.211 1.00 0.07 C +ATOM 1481 N GLY A 185 -15.159 3.912 -20.640 1.00 0.00 N +ATOM 1482 CA GLY A 185 -14.745 3.351 -21.916 1.00 0.00 C +ATOM 1483 C GLY A 185 -13.496 4.002 -22.478 1.00 0.00 C +ATOM 1484 O GLY A 185 -13.101 3.725 -23.612 1.00 0.00 O +ATOM 1485 N TRP A 186 -12.820 4.956 -21.735 1.00 0.00 N +ATOM 1486 CA TRP A 186 -11.594 5.617 -22.170 1.00 0.00 C +ATOM 1487 C TRP A 186 -10.421 4.642 -22.172 1.00 0.00 C +ATOM 1488 CB TRP A 186 -11.278 6.813 -21.268 1.00 0.00 C +ATOM 1489 O TRP A 186 -9.422 4.865 -22.859 1.00 0.00 O +ATOM 1490 CG TRP A 186 -12.262 7.939 -21.382 1.00 0.00 C +ATOM 1491 CD1 TRP A 186 -13.360 7.995 -22.195 1.00 0.00 C +ATOM 1492 CD2 TRP A 186 -12.233 9.174 -20.661 1.00 0.00 C +ATOM 1493 CE2 TRP A 186 -13.346 9.933 -21.087 1.00 0.00 C +ATOM 1494 CE3 TRP A 186 -11.374 9.714 -19.694 1.00 0.00 C +ATOM 1495 NE1 TRP A 186 -14.016 9.191 -22.022 1.00 0.00 N +ATOM 1496 CH2 TRP A 186 -12.765 11.709 -19.634 1.00 0.00 C +ATOM 1497 CZ2 TRP A 186 -13.622 11.204 -20.578 1.00 0.00 C +ATOM 1498 CZ3 TRP A 186 -11.650 10.980 -19.190 1.00 0.00 C +ATOM 1499 N SER A 187 -10.604 3.511 -21.519 1.00 2.50 N +ATOM 1500 CA SER A 187 -9.722 2.348 -21.478 1.00 2.50 C +ATOM 1501 C SER A 187 -10.513 1.062 -21.263 1.00 2.50 C +ATOM 1502 CB SER A 187 -8.679 2.505 -20.371 1.00 2.50 C +ATOM 1503 O SER A 187 -11.607 1.087 -20.695 1.00 2.50 O +ATOM 1504 OG SER A 187 -9.143 1.939 -19.158 1.00 2.50 O +ATOM 1505 N ARG A 188 -10.163 0.036 -22.025 1.00 0.00 N +ATOM 1506 CA ARG A 188 -10.799 -1.262 -21.826 1.00 0.00 C +ATOM 1507 C ARG A 188 -10.117 -2.039 -20.705 1.00 0.00 C +ATOM 1508 CB ARG A 188 -10.772 -2.078 -23.120 1.00 0.00 C +ATOM 1509 O ARG A 188 -8.888 -2.124 -20.660 1.00 0.00 O +ATOM 1510 CG ARG A 188 -11.558 -1.450 -24.260 1.00 0.00 C +ATOM 1511 CD ARG A 188 -11.526 -2.316 -25.512 1.00 0.00 C +ATOM 1512 NE ARG A 188 -12.241 -1.690 -26.620 1.00 0.00 N +ATOM 1513 NH1 ARG A 188 -11.983 -3.472 -28.066 1.00 0.00 N +ATOM 1514 NH2 ARG A 188 -13.107 -1.593 -28.745 1.00 0.00 N +ATOM 1515 CZ ARG A 188 -12.442 -2.253 -27.808 1.00 0.00 C +ATOM 1516 N TYR A 189 -10.808 -2.476 -19.674 1.00 0.01 N +ATOM 1517 CA TYR A 189 -10.345 -3.575 -18.835 1.00 0.01 C +ATOM 1518 C TYR A 189 -10.430 -4.902 -19.578 1.00 0.01 C +ATOM 1519 CB TYR A 189 -11.165 -3.647 -17.543 1.00 0.01 C +ATOM 1520 O TYR A 189 -11.487 -5.261 -20.103 1.00 0.01 O +ATOM 1521 CG TYR A 189 -10.836 -2.555 -16.554 1.00 0.01 C +ATOM 1522 CD1 TYR A 189 -9.697 -2.633 -15.754 1.00 0.01 C +ATOM 1523 CD2 TYR A 189 -11.662 -1.445 -16.416 1.00 0.01 C +ATOM 1524 CE1 TYR A 189 -9.391 -1.630 -14.840 1.00 0.01 C +ATOM 1525 CE2 TYR A 189 -11.365 -0.437 -15.505 1.00 0.01 C +ATOM 1526 OH TYR A 189 -9.931 0.458 -13.819 1.00 0.01 O +ATOM 1527 CZ TYR A 189 -10.229 -0.538 -14.723 1.00 0.01 C +ATOM 1528 N TRP A 190 -9.183 -5.564 -19.595 1.00 0.05 N +ATOM 1529 CA TRP A 190 -9.048 -6.887 -20.196 1.00 0.05 C +ATOM 1530 C TRP A 190 -8.636 -7.920 -19.152 1.00 0.05 C +ATOM 1531 CB TRP A 190 -8.026 -6.858 -21.335 1.00 0.05 C +ATOM 1532 O TRP A 190 -7.892 -7.607 -18.220 1.00 0.05 O +ATOM 1533 CG TRP A 190 -8.497 -6.130 -22.558 1.00 0.05 C +ATOM 1534 CD1 TRP A 190 -8.237 -4.831 -22.896 1.00 0.05 C +ATOM 1535 CD2 TRP A 190 -9.316 -6.660 -23.605 1.00 0.05 C +ATOM 1536 CE2 TRP A 190 -9.513 -5.626 -24.546 1.00 0.05 C +ATOM 1537 CE3 TRP A 190 -9.902 -7.911 -23.839 1.00 0.05 C +ATOM 1538 NE1 TRP A 190 -8.845 -4.522 -24.090 1.00 0.05 N +ATOM 1539 CH2 TRP A 190 -10.835 -7.038 -25.909 1.00 0.05 C +ATOM 1540 CZ2 TRP A 190 -10.273 -5.805 -25.705 1.00 0.05 C +ATOM 1541 CZ3 TRP A 190 -10.658 -8.087 -24.993 1.00 0.05 C +ATOM 1542 N PRO A 191 -9.155 -9.125 -19.224 1.00 0.00 N +ATOM 1543 CA PRO A 191 -8.502 -10.181 -18.446 1.00 0.00 C +ATOM 1544 C PRO A 191 -7.028 -10.352 -18.804 1.00 0.00 C +ATOM 1545 CB PRO A 191 -9.302 -11.434 -18.812 1.00 0.00 C +ATOM 1546 O PRO A 191 -6.695 -10.593 -19.967 1.00 0.00 O +ATOM 1547 CG PRO A 191 -9.928 -11.116 -20.131 1.00 0.00 C +ATOM 1548 CD PRO A 191 -10.011 -9.623 -20.272 1.00 0.00 C +ATOM 1549 N HIS A 192 -6.131 -10.236 -17.847 1.00 13.13 N +ATOM 1550 CA HIS A 192 -4.700 -10.487 -17.981 1.00 13.13 C +ATOM 1551 C HIS A 192 -4.415 -11.977 -18.145 1.00 13.13 C +ATOM 1552 CB HIS A 192 -3.944 -9.939 -16.769 1.00 13.13 C +ATOM 1553 O HIS A 192 -4.975 -12.803 -17.422 1.00 13.13 O +ATOM 1554 CG HIS A 192 -3.970 -8.447 -16.672 1.00 13.13 C +ATOM 1555 CD2 HIS A 192 -4.509 -7.626 -15.740 1.00 13.13 C +ATOM 1556 ND1 HIS A 192 -3.390 -7.629 -17.617 1.00 13.13 N +ATOM 1557 CE1 HIS A 192 -3.571 -6.366 -17.270 1.00 13.13 C +ATOM 1558 NE2 HIS A 192 -4.247 -6.337 -16.134 1.00 13.13 N +ATOM 1559 N GLY A 193 -3.560 -12.376 -19.242 1.00 0.00 N +ATOM 1560 CA GLY A 193 -2.934 -13.587 -19.748 1.00 0.00 C +ATOM 1561 C GLY A 193 -3.460 -14.850 -19.093 1.00 0.00 C +ATOM 1562 O GLY A 193 -3.883 -15.782 -19.781 1.00 0.00 O +ATOM 1563 N LEU A 194 -3.309 -14.915 -17.634 1.00 0.01 N +ATOM 1564 CA LEU A 194 -3.702 -16.139 -16.944 1.00 0.01 C +ATOM 1565 C LEU A 194 -5.179 -16.101 -16.568 1.00 0.01 C +ATOM 1566 CB LEU A 194 -2.849 -16.345 -15.690 1.00 0.01 C +ATOM 1567 O LEU A 194 -5.658 -16.965 -15.829 1.00 0.01 O +ATOM 1568 CG LEU A 194 -1.383 -16.717 -15.920 1.00 0.01 C +ATOM 1569 CD1 LEU A 194 -0.609 -16.658 -14.607 1.00 0.01 C +ATOM 1570 CD2 LEU A 194 -1.275 -18.101 -16.549 1.00 0.01 C +ATOM 1571 N LYS A 195 -5.966 -15.072 -17.088 1.00 34.89 N +ATOM 1572 CA LYS A 195 -7.359 -14.879 -16.694 1.00 34.89 C +ATOM 1573 C LYS A 195 -7.485 -14.724 -15.181 1.00 34.89 C +ATOM 1574 CB LYS A 195 -8.220 -16.048 -17.174 1.00 34.89 C +ATOM 1575 O LYS A 195 -8.512 -15.079 -14.599 1.00 34.89 O +ATOM 1576 CG LYS A 195 -8.292 -16.182 -18.688 1.00 34.89 C +ATOM 1577 CD LYS A 195 -9.272 -17.270 -19.107 1.00 34.89 C +ATOM 1578 CE LYS A 195 -9.386 -17.369 -20.622 1.00 34.89 C +ATOM 1579 NZ LYS A 195 -10.396 -18.388 -21.037 1.00 34.89 N +ATOM 1580 N THR A 196 -6.363 -14.556 -14.455 1.00 0.00 N +ATOM 1581 CA THR A 196 -6.332 -14.604 -12.997 1.00 0.00 C +ATOM 1582 C THR A 196 -6.620 -13.228 -12.404 1.00 0.00 C +ATOM 1583 CB THR A 196 -4.972 -15.112 -12.484 1.00 0.00 C +ATOM 1584 O THR A 196 -6.992 -13.116 -11.234 1.00 0.00 O +ATOM 1585 CG2 THR A 196 -4.763 -16.580 -12.841 1.00 0.00 C +ATOM 1586 OG1 THR A 196 -3.923 -14.334 -13.075 1.00 0.00 O +ATOM 1587 N SER A 197 -6.521 -12.128 -13.155 1.00 0.17 N +ATOM 1588 CA SER A 197 -6.850 -10.781 -12.700 1.00 0.17 C +ATOM 1589 C SER A 197 -7.315 -9.904 -13.857 1.00 0.17 C +ATOM 1590 CB SER A 197 -5.644 -10.138 -12.014 1.00 0.17 C +ATOM 1591 O SER A 197 -6.785 -9.998 -14.966 1.00 0.17 O +ATOM 1592 OG SER A 197 -4.541 -10.064 -12.901 1.00 0.17 O +ATOM 1593 N CYS A 198 -8.401 -9.168 -13.552 1.00 0.00 N +ATOM 1594 CA CYS A 198 -8.838 -8.047 -14.376 1.00 0.00 C +ATOM 1595 C CYS A 198 -8.090 -6.773 -14.004 1.00 0.00 C +ATOM 1596 CB CYS A 198 -10.343 -7.828 -14.229 1.00 0.00 C +ATOM 1597 O CYS A 198 -8.005 -6.420 -12.826 1.00 0.00 O +ATOM 1598 SG CYS A 198 -11.339 -9.241 -14.752 1.00 0.00 S +ATOM 1599 N GLY A 199 -7.231 -6.280 -14.868 1.00 0.00 N +ATOM 1600 CA GLY A 199 -6.549 -5.003 -14.728 1.00 0.00 C +ATOM 1601 C GLY A 199 -6.724 -4.098 -15.933 1.00 0.00 C +ATOM 1602 O GLY A 199 -7.273 -4.515 -16.955 1.00 0.00 O +ATOM 1603 N PRO A 200 -6.423 -2.752 -15.669 1.00 0.00 N +ATOM 1604 CA PRO A 200 -6.332 -1.911 -16.865 1.00 0.00 C +ATOM 1605 C PRO A 200 -5.450 -2.524 -17.951 1.00 0.00 C +ATOM 1606 CB PRO A 200 -5.723 -0.611 -16.336 1.00 0.00 C +ATOM 1607 O PRO A 200 -4.477 -3.216 -17.643 1.00 0.00 O +ATOM 1608 CG PRO A 200 -4.961 -1.015 -15.115 1.00 0.00 C +ATOM 1609 CD PRO A 200 -5.604 -2.242 -14.536 1.00 0.00 C +ATOM 1610 N ASP A 201 -5.876 -2.396 -19.172 1.00 0.00 N +ATOM 1611 CA ASP A 201 -5.232 -2.907 -20.378 1.00 0.00 C +ATOM 1612 C ASP A 201 -3.764 -2.488 -20.436 1.00 0.00 C +ATOM 1613 CB ASP A 201 -5.968 -2.420 -21.627 1.00 0.00 C +ATOM 1614 O ASP A 201 -3.272 -2.078 -21.490 1.00 0.00 O +ATOM 1615 CG ASP A 201 -5.887 -3.401 -22.783 1.00 0.00 C +ATOM 1616 OD1 ASP A 201 -5.285 -4.485 -22.623 1.00 0.00 O +ATOM 1617 OD2 ASP A 201 -6.428 -3.087 -23.866 1.00 0.00 O +ATOM 1618 N VAL A 202 -3.100 -2.427 -19.357 1.00 0.00 N +ATOM 1619 CA VAL A 202 -1.672 -2.127 -19.337 1.00 0.00 C +ATOM 1620 C VAL A 202 -0.926 -3.107 -20.239 1.00 0.00 C +ATOM 1621 CB VAL A 202 -1.100 -2.183 -17.902 1.00 0.00 C +ATOM 1622 O VAL A 202 0.106 -2.764 -20.820 1.00 0.00 O +ATOM 1623 CG1 VAL A 202 0.358 -1.728 -17.884 1.00 0.00 C +ATOM 1624 CG2 VAL A 202 -1.943 -1.325 -16.959 1.00 0.00 C +ATOM 1625 N PHE A 203 -1.539 -4.265 -20.476 1.00 0.00 N +ATOM 1626 CA PHE A 203 -0.769 -5.405 -20.959 1.00 0.00 C +ATOM 1627 C PHE A 203 -1.222 -5.811 -22.356 1.00 0.00 C +ATOM 1628 CB PHE A 203 -0.903 -6.591 -19.998 1.00 0.00 C +ATOM 1629 O PHE A 203 -0.593 -6.655 -22.998 1.00 0.00 O +ATOM 1630 CG PHE A 203 -0.432 -6.295 -18.600 1.00 0.00 C +ATOM 1631 CD1 PHE A 203 0.908 -6.031 -18.343 1.00 0.00 C +ATOM 1632 CD2 PHE A 203 -1.331 -6.281 -17.541 1.00 0.00 C +ATOM 1633 CE1 PHE A 203 1.346 -5.757 -17.050 1.00 0.00 C +ATOM 1634 CE2 PHE A 203 -0.900 -6.008 -16.246 1.00 0.00 C +ATOM 1635 CZ PHE A 203 0.438 -5.747 -16.002 1.00 0.00 C +ATOM 1636 N SER A 204 -2.316 -5.314 -22.963 1.00 0.25 N +ATOM 1637 CA SER A 204 -2.839 -5.786 -24.240 1.00 0.25 C +ATOM 1638 C SER A 204 -2.028 -5.234 -25.408 1.00 0.25 C +ATOM 1639 CB SER A 204 -4.308 -5.391 -24.398 1.00 0.25 C +ATOM 1640 O SER A 204 -2.247 -5.616 -26.559 1.00 0.25 O +ATOM 1641 OG SER A 204 -4.444 -3.983 -24.480 1.00 0.25 O +ATOM 1642 N GLY A 205 -1.010 -4.293 -25.141 1.00 0.25 N +ATOM 1643 CA GLY A 205 -0.336 -3.708 -26.290 1.00 0.25 C +ATOM 1644 C GLY A 205 -1.237 -2.811 -27.117 1.00 0.25 C +ATOM 1645 O GLY A 205 -1.078 -2.717 -28.336 1.00 0.25 O +ATOM 1646 N SER A 206 -2.352 -2.270 -26.571 1.00 0.14 N +ATOM 1647 CA SER A 206 -3.196 -1.340 -27.314 1.00 0.14 C +ATOM 1648 C SER A 206 -2.369 -0.222 -27.940 1.00 0.14 C +ATOM 1649 CB SER A 206 -4.268 -0.742 -26.401 1.00 0.14 C +ATOM 1650 O SER A 206 -1.668 0.508 -27.236 1.00 0.14 O +ATOM 1651 OG SER A 206 -5.115 0.132 -27.126 1.00 0.14 O +ATOM 1652 N GLU A 207 -2.443 -0.082 -29.238 1.00 0.00 N +ATOM 1653 CA GLU A 207 -1.786 0.975 -30.003 1.00 0.00 C +ATOM 1654 C GLU A 207 -2.542 2.295 -29.882 1.00 0.00 C +ATOM 1655 CB GLU A 207 -1.659 0.574 -31.474 1.00 0.00 C +ATOM 1656 O GLU A 207 -2.078 3.328 -30.368 1.00 0.00 O +ATOM 1657 CG GLU A 207 -0.760 -0.632 -31.708 1.00 0.00 C +ATOM 1658 CD GLU A 207 -0.458 -0.880 -33.177 1.00 0.00 C +ATOM 1659 OE1 GLU A 207 -1.214 -0.385 -34.044 1.00 0.00 O +ATOM 1660 OE2 GLU A 207 0.542 -1.576 -33.464 1.00 0.00 O +ATOM 1661 N ASP A 208 -3.677 2.267 -29.204 1.00 0.00 N +ATOM 1662 CA ASP A 208 -4.453 3.485 -28.993 1.00 0.00 C +ATOM 1663 C ASP A 208 -3.665 4.502 -28.170 1.00 0.00 C +ATOM 1664 CB ASP A 208 -5.779 3.163 -28.301 1.00 0.00 C +ATOM 1665 O ASP A 208 -3.325 4.243 -27.014 1.00 0.00 O +ATOM 1666 CG ASP A 208 -6.668 4.382 -28.127 1.00 0.00 C +ATOM 1667 OD1 ASP A 208 -6.142 5.512 -28.028 1.00 0.00 O +ATOM 1668 OD2 ASP A 208 -7.906 4.212 -28.084 1.00 0.00 O +ATOM 1669 N PRO A 209 -3.343 5.706 -28.736 1.00 3.37 N +ATOM 1670 CA PRO A 209 -2.539 6.723 -28.053 1.00 3.37 C +ATOM 1671 C PRO A 209 -3.194 7.231 -26.772 1.00 3.37 C +ATOM 1672 CB PRO A 209 -2.429 7.842 -29.092 1.00 3.37 C +ATOM 1673 O PRO A 209 -2.498 7.607 -25.825 1.00 3.37 O +ATOM 1674 CG PRO A 209 -3.593 7.630 -30.005 1.00 3.37 C +ATOM 1675 CD PRO A 209 -3.884 6.158 -30.075 1.00 3.37 C +ATOM 1676 N GLY A 210 -4.519 7.292 -26.696 1.00 27.46 N +ATOM 1677 CA GLY A 210 -5.253 7.667 -25.498 1.00 27.46 C +ATOM 1678 C GLY A 210 -5.034 6.712 -24.340 1.00 27.46 C +ATOM 1679 O GLY A 210 -4.701 7.137 -23.232 1.00 27.46 O +ATOM 1680 N VAL A 211 -5.102 5.381 -24.598 1.00 0.01 N +ATOM 1681 CA VAL A 211 -4.858 4.345 -23.599 1.00 0.01 C +ATOM 1682 C VAL A 211 -3.416 4.433 -23.106 1.00 0.01 C +ATOM 1683 CB VAL A 211 -5.144 2.935 -24.163 1.00 0.01 C +ATOM 1684 O VAL A 211 -3.166 4.446 -21.898 1.00 0.01 O +ATOM 1685 CG1 VAL A 211 -4.776 1.861 -23.141 1.00 0.01 C +ATOM 1686 CG2 VAL A 211 -6.611 2.811 -24.569 1.00 0.01 C +ATOM 1687 N LYS A 212 -2.491 4.623 -24.004 1.00 0.00 N +ATOM 1688 CA LYS A 212 -1.078 4.769 -23.666 1.00 0.00 C +ATOM 1689 C LYS A 212 -0.847 5.994 -22.787 1.00 0.00 C +ATOM 1690 CB LYS A 212 -0.230 4.867 -24.935 1.00 0.00 C +ATOM 1691 O LYS A 212 -0.178 5.907 -21.755 1.00 0.00 O +ATOM 1692 CG LYS A 212 1.270 4.861 -24.680 1.00 0.00 C +ATOM 1693 CD LYS A 212 2.058 4.765 -25.979 1.00 0.00 C +ATOM 1694 CE LYS A 212 3.559 4.739 -25.724 1.00 0.00 C +ATOM 1695 NZ LYS A 212 4.330 4.476 -26.976 1.00 0.00 N +ATOM 1696 N SER A 213 -1.358 7.139 -23.187 1.00 0.00 N +ATOM 1697 CA SER A 213 -1.239 8.373 -22.418 1.00 0.00 C +ATOM 1698 C SER A 213 -1.856 8.222 -21.031 1.00 0.00 C +ATOM 1699 CB SER A 213 -1.906 9.534 -23.158 1.00 0.00 C +ATOM 1700 O SER A 213 -1.251 8.614 -20.031 1.00 0.00 O +ATOM 1701 OG SER A 213 -1.691 10.756 -22.474 1.00 0.00 O +ATOM 1702 N TYR A 214 -3.007 7.639 -20.915 1.00 0.00 N +ATOM 1703 CA TYR A 214 -3.669 7.376 -19.642 1.00 0.00 C +ATOM 1704 C TYR A 214 -2.819 6.467 -18.763 1.00 0.00 C +ATOM 1705 CB TYR A 214 -5.045 6.744 -19.872 1.00 0.00 C +ATOM 1706 O TYR A 214 -2.594 6.763 -17.587 1.00 0.00 O +ATOM 1707 CG TYR A 214 -5.698 6.237 -18.609 1.00 0.00 C +ATOM 1708 CD1 TYR A 214 -6.223 7.121 -17.670 1.00 0.00 C +ATOM 1709 CD2 TYR A 214 -5.791 4.873 -18.352 1.00 0.00 C +ATOM 1710 CE1 TYR A 214 -6.825 6.659 -16.504 1.00 0.00 C +ATOM 1711 CE2 TYR A 214 -6.390 4.399 -17.190 1.00 0.00 C +ATOM 1712 OH TYR A 214 -7.498 4.835 -15.121 1.00 0.00 O +ATOM 1713 CZ TYR A 214 -6.904 5.298 -16.273 1.00 0.00 C +ATOM 1714 N MET A 215 -2.191 5.511 -19.287 1.00 0.02 N +ATOM 1715 CA MET A 215 -1.374 4.547 -18.555 1.00 0.02 C +ATOM 1716 C MET A 215 -0.104 5.203 -18.023 1.00 0.02 C +ATOM 1717 CB MET A 215 -1.013 3.358 -19.449 1.00 0.02 C +ATOM 1718 O MET A 215 0.253 5.019 -16.858 1.00 0.02 O +ATOM 1719 CG MET A 215 -2.185 2.436 -19.744 1.00 0.02 C +ATOM 1720 SD MET A 215 -2.858 1.648 -18.229 1.00 0.02 S +ATOM 1721 CE MET A 215 -4.400 0.955 -18.888 1.00 0.02 C +ATOM 1722 N ILE A 216 0.557 5.903 -18.882 1.00 0.07 N +ATOM 1723 CA ILE A 216 1.735 6.662 -18.477 1.00 0.07 C +ATOM 1724 C ILE A 216 1.362 7.638 -17.364 1.00 0.07 C +ATOM 1725 CB ILE A 216 2.355 7.423 -19.671 1.00 0.07 C +ATOM 1726 O ILE A 216 2.047 7.714 -16.341 1.00 0.07 O +ATOM 1727 CG1 ILE A 216 2.996 6.439 -20.656 1.00 0.07 C +ATOM 1728 CG2 ILE A 216 3.378 8.453 -19.182 1.00 0.07 C +ATOM 1729 CD1 ILE A 216 3.371 7.059 -21.995 1.00 0.07 C +ATOM 1730 N THR A 217 0.244 8.296 -17.504 1.00 0.00 N +ATOM 1731 CA THR A 217 -0.224 9.233 -16.489 1.00 0.00 C +ATOM 1732 C THR A 217 -0.583 8.500 -15.200 1.00 0.00 C +ATOM 1733 CB THR A 217 -1.444 10.031 -16.985 1.00 0.00 C +ATOM 1734 O THR A 217 -0.187 8.920 -14.110 1.00 0.00 O +ATOM 1735 CG2 THR A 217 -1.871 11.078 -15.961 1.00 0.00 C +ATOM 1736 OG1 THR A 217 -1.110 10.689 -18.214 1.00 0.00 O +ATOM 1737 N LEU A 218 -1.305 7.339 -15.244 1.00 7.44 N +ATOM 1738 CA LEU A 218 -1.636 6.494 -14.102 1.00 7.44 C +ATOM 1739 C LEU A 218 -0.372 6.001 -13.406 1.00 7.44 C +ATOM 1740 CB LEU A 218 -2.486 5.301 -14.547 1.00 7.44 C +ATOM 1741 O LEU A 218 -0.222 6.165 -12.193 1.00 7.44 O +ATOM 1742 CG LEU A 218 -3.034 4.406 -13.434 1.00 7.44 C +ATOM 1743 CD1 LEU A 218 -4.188 5.099 -12.717 1.00 7.44 C +ATOM 1744 CD2 LEU A 218 -3.479 3.062 -13.999 1.00 7.44 C +ATOM 1745 N LEU A 219 0.592 5.475 -14.134 1.00 19.38 N +ATOM 1746 CA LEU A 219 1.866 5.006 -13.600 1.00 19.38 C +ATOM 1747 C LEU A 219 2.615 6.138 -12.905 1.00 19.38 C +ATOM 1748 CB LEU A 219 2.731 4.416 -14.716 1.00 19.38 C +ATOM 1749 O LEU A 219 3.088 5.976 -11.779 1.00 19.38 O +ATOM 1750 CG LEU A 219 4.099 3.873 -14.299 1.00 19.38 C +ATOM 1751 CD1 LEU A 219 3.933 2.660 -13.390 1.00 19.38 C +ATOM 1752 CD2 LEU A 219 4.931 3.517 -15.527 1.00 19.38 C +ATOM 1753 N PHE A 220 2.725 7.287 -13.510 1.00 0.02 N +ATOM 1754 CA PHE A 220 3.410 8.449 -12.956 1.00 0.02 C +ATOM 1755 C PHE A 220 2.722 8.927 -11.682 1.00 0.02 C +ATOM 1756 CB PHE A 220 3.461 9.585 -13.982 1.00 0.02 C +ATOM 1757 O PHE A 220 3.363 9.063 -10.638 1.00 0.02 O +ATOM 1758 CG PHE A 220 4.193 10.808 -13.499 1.00 0.02 C +ATOM 1759 CD1 PHE A 220 5.582 10.854 -13.511 1.00 0.02 C +ATOM 1760 CD2 PHE A 220 3.491 11.911 -13.031 1.00 0.02 C +ATOM 1761 CE1 PHE A 220 6.262 11.985 -13.064 1.00 0.02 C +ATOM 1762 CE2 PHE A 220 4.164 13.045 -12.582 1.00 0.02 C +ATOM 1763 CZ PHE A 220 5.549 13.079 -12.599 1.00 0.02 C +ATOM 1764 N THR A 221 1.392 9.075 -11.671 1.00 0.00 N +ATOM 1765 CA THR A 221 0.656 9.746 -10.606 1.00 0.00 C +ATOM 1766 C THR A 221 0.348 8.777 -9.468 1.00 0.00 C +ATOM 1767 CB THR A 221 -0.655 10.358 -11.132 1.00 0.00 C +ATOM 1768 O THR A 221 0.238 9.185 -8.310 1.00 0.00 O +ATOM 1769 CG2 THR A 221 -0.378 11.494 -12.111 1.00 0.00 C +ATOM 1770 OG1 THR A 221 -1.415 9.343 -11.799 1.00 0.00 O +ATOM 1771 N CYS A 222 0.292 7.469 -9.729 1.00 1.68 N +ATOM 1772 CA CYS A 222 -0.129 6.492 -8.731 1.00 1.68 C +ATOM 1773 C CYS A 222 1.063 5.703 -8.204 1.00 1.68 C +ATOM 1774 CB CYS A 222 -1.165 5.535 -9.320 1.00 1.68 C +ATOM 1775 O CYS A 222 1.018 5.170 -7.094 1.00 1.68 O +ATOM 1776 SG CYS A 222 -2.664 6.356 -9.906 1.00 1.68 S +ATOM 1777 N CYS A 223 2.185 5.671 -8.968 1.00 0.00 N +ATOM 1778 CA CYS A 223 3.343 4.898 -8.531 1.00 0.00 C +ATOM 1779 C CYS A 223 4.560 5.796 -8.345 1.00 0.00 C +ATOM 1780 CB CYS A 223 3.661 3.794 -9.539 1.00 0.00 C +ATOM 1781 O CYS A 223 5.045 5.968 -7.226 1.00 0.00 O +ATOM 1782 SG CYS A 223 2.307 2.626 -9.792 1.00 0.00 S +ATOM 1783 N ILE A 224 5.020 6.544 -9.339 1.00 0.88 N +ATOM 1784 CA ILE A 224 6.297 7.250 -9.341 1.00 0.88 C +ATOM 1785 C ILE A 224 6.221 8.457 -8.408 1.00 0.88 C +ATOM 1786 CB ILE A 224 6.693 7.697 -10.766 1.00 0.88 C +ATOM 1787 O ILE A 224 7.111 8.666 -7.581 1.00 0.88 O +ATOM 1788 CG1 ILE A 224 6.928 6.476 -11.663 1.00 0.88 C +ATOM 1789 CG2 ILE A 224 7.933 8.595 -10.725 1.00 0.88 C +ATOM 1790 CD1 ILE A 224 7.190 6.822 -13.122 1.00 0.88 C +ATOM 1791 N LEU A 225 5.118 9.220 -8.481 1.00 0.55 N +ATOM 1792 CA LEU A 225 4.970 10.440 -7.694 1.00 0.55 C +ATOM 1793 C LEU A 225 4.848 10.116 -6.209 1.00 0.55 C +ATOM 1794 CB LEU A 225 3.746 11.233 -8.158 1.00 0.55 C +ATOM 1795 O LEU A 225 5.610 10.637 -5.391 1.00 0.55 O +ATOM 1796 CG LEU A 225 3.403 12.485 -7.351 1.00 0.55 C +ATOM 1797 CD1 LEU A 225 4.550 13.489 -7.416 1.00 0.55 C +ATOM 1798 CD2 LEU A 225 2.109 13.111 -7.857 1.00 0.55 C +ATOM 1799 N PRO A 226 3.976 9.151 -5.729 1.00 0.00 N +ATOM 1800 CA PRO A 226 3.962 8.759 -4.318 1.00 0.00 C +ATOM 1801 C PRO A 226 5.314 8.236 -3.838 1.00 0.00 C +ATOM 1802 CB PRO A 226 2.901 7.657 -4.268 1.00 0.00 C +ATOM 1803 O PRO A 226 5.793 8.637 -2.774 1.00 0.00 O +ATOM 1804 CG PRO A 226 1.945 7.997 -5.366 1.00 0.00 C +ATOM 1805 CD PRO A 226 2.727 8.543 -6.526 1.00 0.00 C +ATOM 1806 N LEU A 227 6.036 7.506 -4.645 1.00 0.00 N +ATOM 1807 CA LEU A 227 7.349 6.968 -4.306 1.00 0.00 C +ATOM 1808 C LEU A 227 8.373 8.088 -4.157 1.00 0.00 C +ATOM 1809 CB LEU A 227 7.813 5.975 -5.374 1.00 0.00 C +ATOM 1810 O LEU A 227 9.138 8.111 -3.190 1.00 0.00 O +ATOM 1811 CG LEU A 227 9.180 5.327 -5.149 1.00 0.00 C +ATOM 1812 CD1 LEU A 227 9.185 4.541 -3.842 1.00 0.00 C +ATOM 1813 CD2 LEU A 227 9.545 4.425 -6.323 1.00 0.00 C +ATOM 1814 N ALA A 228 8.354 8.959 -5.067 1.00 1.87 N +ATOM 1815 CA ALA A 228 9.251 10.111 -5.008 1.00 1.87 C +ATOM 1816 C ALA A 228 9.005 10.933 -3.746 1.00 1.87 C +ATOM 1817 CB ALA A 228 9.080 10.983 -6.249 1.00 1.87 C +ATOM 1818 O ALA A 228 9.945 11.268 -3.023 1.00 1.87 O +ATOM 1819 N VAL A 229 7.747 11.184 -3.379 1.00 0.01 N +ATOM 1820 CA VAL A 229 7.378 11.927 -2.178 1.00 0.01 C +ATOM 1821 C VAL A 229 7.819 11.155 -0.937 1.00 0.01 C +ATOM 1822 CB VAL A 229 5.859 12.200 -2.124 1.00 0.01 C +ATOM 1823 O VAL A 229 8.432 11.723 -0.030 1.00 0.01 O +ATOM 1824 CG1 VAL A 229 5.472 12.838 -0.791 1.00 0.01 C +ATOM 1825 CG2 VAL A 229 5.436 13.092 -3.290 1.00 0.01 C +ATOM 1826 N ILE A 230 7.600 9.846 -0.868 1.00 0.00 N +ATOM 1827 CA ILE A 230 8.019 8.983 0.231 1.00 0.00 C +ATOM 1828 C ILE A 230 9.536 9.049 0.390 1.00 0.00 C +ATOM 1829 CB ILE A 230 7.566 7.522 0.007 1.00 0.00 C +ATOM 1830 O ILE A 230 10.041 9.344 1.476 1.00 0.00 O +ATOM 1831 CG1 ILE A 230 6.049 7.400 0.187 1.00 0.00 C +ATOM 1832 CG2 ILE A 230 8.309 6.575 0.954 1.00 0.00 C +ATOM 1833 CD1 ILE A 230 5.463 6.105 -0.358 1.00 0.00 C +ATOM 1834 N ILE A 231 10.329 8.871 -0.680 1.00 0.05 N +ATOM 1835 CA ILE A 231 11.788 8.891 -0.670 1.00 0.05 C +ATOM 1836 C ILE A 231 12.282 10.262 -0.213 1.00 0.05 C +ATOM 1837 CB ILE A 231 12.367 8.548 -2.060 1.00 0.05 C +ATOM 1838 O ILE A 231 13.119 10.358 0.687 1.00 0.05 O +ATOM 1839 CG1 ILE A 231 12.145 7.065 -2.381 1.00 0.05 C +ATOM 1840 CG2 ILE A 231 13.855 8.905 -2.129 1.00 0.05 C +ATOM 1841 CD1 ILE A 231 12.384 6.705 -3.841 1.00 0.05 C +ATOM 1842 N ILE A 232 11.713 11.363 -0.731 1.00 0.00 N +ATOM 1843 CA ILE A 232 12.082 12.730 -0.381 1.00 0.00 C +ATOM 1844 C ILE A 232 11.783 12.984 1.094 1.00 0.00 C +ATOM 1845 CB ILE A 232 11.339 13.759 -1.263 1.00 0.00 C +ATOM 1846 O ILE A 232 12.645 13.463 1.835 1.00 0.00 O +ATOM 1847 CG1 ILE A 232 11.886 13.728 -2.695 1.00 0.00 C +ATOM 1848 CG2 ILE A 232 11.451 15.164 -0.664 1.00 0.00 C +ATOM 1849 CD1 ILE A 232 11.002 14.440 -3.710 1.00 0.00 C +ATOM 1850 N CYS A 233 10.610 12.630 1.610 1.00 0.00 N +ATOM 1851 CA CYS A 233 10.233 12.761 3.013 1.00 0.00 C +ATOM 1852 C CYS A 233 11.225 12.036 3.914 1.00 0.00 C +ATOM 1853 CB CYS A 233 8.825 12.211 3.243 1.00 0.00 C +ATOM 1854 O CYS A 233 11.709 12.604 4.895 1.00 0.00 O +ATOM 1855 SG CYS A 233 7.514 13.279 2.609 1.00 0.00 S +ATOM 1856 N TYR A 234 11.624 10.843 3.518 1.00 0.00 N +ATOM 1857 CA TYR A 234 12.490 10.034 4.368 1.00 0.00 C +ATOM 1858 C TYR A 234 13.933 10.520 4.295 1.00 0.00 C +ATOM 1859 CB TYR A 234 12.415 8.559 3.964 1.00 0.00 C +ATOM 1860 O TYR A 234 14.654 10.495 5.295 1.00 0.00 O +ATOM 1861 CG TYR A 234 11.240 7.824 4.562 1.00 0.00 C +ATOM 1862 CD1 TYR A 234 11.116 7.675 5.942 1.00 0.00 C +ATOM 1863 CD2 TYR A 234 10.253 7.277 3.751 1.00 0.00 C +ATOM 1864 CE1 TYR A 234 10.036 6.998 6.498 1.00 0.00 C +ATOM 1865 CE2 TYR A 234 9.168 6.597 4.296 1.00 0.00 C +ATOM 1866 OH TYR A 234 7.998 5.791 6.214 1.00 0.00 O +ATOM 1867 CZ TYR A 234 9.069 6.463 5.668 1.00 0.00 C +ATOM 1868 N ILE A 235 14.467 11.081 3.164 1.00 0.63 N +ATOM 1869 CA ILE A 235 15.757 11.755 3.063 1.00 0.63 C +ATOM 1870 C ILE A 235 15.790 12.952 4.010 1.00 0.63 C +ATOM 1871 CB ILE A 235 16.046 12.208 1.615 1.00 0.63 C +ATOM 1872 O ILE A 235 16.751 13.130 4.763 1.00 0.63 O +ATOM 1873 CG1 ILE A 235 16.341 10.996 0.724 1.00 0.63 C +ATOM 1874 CG2 ILE A 235 17.207 13.207 1.583 1.00 0.63 C +ATOM 1875 CD1 ILE A 235 16.331 11.306 -0.767 1.00 0.63 C +ATOM 1876 N PHE A 236 14.711 13.737 4.119 1.00 0.00 N +ATOM 1877 CA PHE A 236 14.638 14.894 5.003 1.00 0.00 C +ATOM 1878 C PHE A 236 14.567 14.458 6.461 1.00 0.00 C +ATOM 1879 CB PHE A 236 13.425 15.762 4.655 1.00 0.00 C +ATOM 1880 O PHE A 236 15.253 15.021 7.317 1.00 0.00 O +ATOM 1881 CG PHE A 236 13.642 16.660 3.467 1.00 0.00 C +ATOM 1882 CD1 PHE A 236 14.615 17.652 3.496 1.00 0.00 C +ATOM 1883 CD2 PHE A 236 12.872 16.512 2.320 1.00 0.00 C +ATOM 1884 CE1 PHE A 236 14.818 18.484 2.398 1.00 0.00 C +ATOM 1885 CE2 PHE A 236 13.069 17.341 1.219 1.00 0.00 C +ATOM 1886 CZ PHE A 236 14.042 18.327 1.260 1.00 0.00 C +ATOM 1887 N VAL A 237 13.778 13.392 6.813 1.00 0.00 N +ATOM 1888 CA VAL A 237 13.690 12.821 8.153 1.00 0.00 C +ATOM 1889 C VAL A 237 15.063 12.312 8.589 1.00 0.00 C +ATOM 1890 CB VAL A 237 12.653 11.677 8.217 1.00 0.00 C +ATOM 1891 O VAL A 237 15.536 12.640 9.680 1.00 0.00 O +ATOM 1892 CG1 VAL A 237 12.796 10.891 9.518 1.00 0.00 C +ATOM 1893 CG2 VAL A 237 11.237 12.234 8.078 1.00 0.00 C +ATOM 1894 N TRP A 238 15.742 11.580 7.759 1.00 0.00 N +ATOM 1895 CA TRP A 238 17.078 11.053 8.016 1.00 0.00 C +ATOM 1896 C TRP A 238 18.080 12.186 8.214 1.00 0.00 C +ATOM 1897 CB TRP A 238 17.531 10.150 6.865 1.00 0.00 C +ATOM 1898 O TRP A 238 18.804 12.215 9.213 1.00 0.00 O +ATOM 1899 CG TRP A 238 18.932 9.635 7.010 1.00 0.00 C +ATOM 1900 CD1 TRP A 238 19.351 8.599 7.798 1.00 0.00 C +ATOM 1901 CD2 TRP A 238 20.099 10.137 6.352 1.00 0.00 C +ATOM 1902 CE2 TRP A 238 21.192 9.356 6.788 1.00 0.00 C +ATOM 1903 CE3 TRP A 238 20.326 11.172 5.435 1.00 0.00 C +ATOM 1904 NE1 TRP A 238 20.710 8.426 7.668 1.00 0.00 N +ATOM 1905 CH2 TRP A 238 22.690 10.597 5.439 1.00 0.00 C +ATOM 1906 CZ2 TRP A 238 22.496 9.579 6.336 1.00 0.00 C +ATOM 1907 CZ3 TRP A 238 21.623 11.392 4.987 1.00 0.00 C +ATOM 1908 N SER A 239 18.160 13.240 7.346 1.00 1.76 N +ATOM 1909 CA SER A 239 19.041 14.401 7.429 1.00 1.76 C +ATOM 1910 C SER A 239 18.804 15.185 8.715 1.00 1.76 C +ATOM 1911 CB SER A 239 18.836 15.316 6.220 1.00 1.76 C +ATOM 1912 O SER A 239 19.755 15.608 9.375 1.00 1.76 O +ATOM 1913 OG SER A 239 19.116 14.626 5.014 1.00 1.76 O +ATOM 1914 N ALA A 240 17.544 15.377 9.148 1.00 0.02 N +ATOM 1915 CA ALA A 240 17.178 16.087 10.371 1.00 0.02 C +ATOM 1916 C ALA A 240 17.669 15.340 11.607 1.00 0.02 C +ATOM 1917 CB ALA A 240 15.666 16.286 10.438 1.00 0.02 C +ATOM 1918 O ALA A 240 18.307 15.928 12.483 1.00 0.02 O +ATOM 1919 N ILE A 241 17.439 14.032 11.664 1.00 0.00 N +ATOM 1920 CA ILE A 241 17.860 13.201 12.787 1.00 0.00 C +ATOM 1921 C ILE A 241 19.385 13.144 12.843 1.00 0.00 C +ATOM 1922 CB ILE A 241 17.274 11.775 12.686 1.00 0.00 C +ATOM 1923 O ILE A 241 19.979 13.297 13.913 1.00 0.00 O +ATOM 1924 CG1 ILE A 241 15.758 11.804 12.911 1.00 0.00 C +ATOM 1925 CG2 ILE A 241 17.958 10.838 13.685 1.00 0.00 C +ATOM 1926 CD1 ILE A 241 15.052 10.506 12.542 1.00 0.00 C +ATOM 1927 N HIS A 242 20.071 13.005 11.698 1.00 2.54 N +ATOM 1928 CA HIS A 242 21.526 12.993 11.597 1.00 2.54 C +ATOM 1929 C HIS A 242 22.121 14.317 12.061 1.00 2.54 C +ATOM 1930 CB HIS A 242 21.961 12.696 10.161 1.00 2.54 C +ATOM 1931 O HIS A 242 23.088 14.334 12.826 1.00 2.54 O +ATOM 1932 CG HIS A 242 23.438 12.527 10.004 1.00 2.54 C +ATOM 1933 CD2 HIS A 242 24.361 13.299 9.383 1.00 2.54 C +ATOM 1934 ND1 HIS A 242 24.123 11.449 10.522 1.00 2.54 N +ATOM 1935 CE1 HIS A 242 25.407 11.567 10.227 1.00 2.54 C +ATOM 1936 NE2 HIS A 242 25.577 12.681 9.536 1.00 2.54 N +ATOM 1937 N SER A 243 21.499 15.446 11.761 1.00 0.00 N +ATOM 1938 CA SER A 243 21.916 16.770 12.211 1.00 0.00 C +ATOM 1939 C SER A 243 21.786 16.906 13.725 1.00 0.00 C +ATOM 1940 CB SER A 243 21.089 17.856 11.521 1.00 0.00 C +ATOM 1941 O SER A 243 22.708 17.379 14.392 1.00 0.00 O +ATOM 1942 OG SER A 243 21.547 19.146 11.888 1.00 0.00 O +ATOM 1943 N VAL A 244 20.680 16.401 14.367 1.00 0.00 N +ATOM 1944 CA VAL A 244 20.457 16.413 15.809 1.00 0.00 C +ATOM 1945 C VAL A 244 21.450 15.476 16.494 1.00 0.00 C +ATOM 1946 CB VAL A 244 19.009 16.005 16.163 1.00 0.00 C +ATOM 1947 O VAL A 244 22.063 15.840 17.501 1.00 0.00 O +ATOM 1948 CG1 VAL A 244 18.853 15.821 17.672 1.00 0.00 C +ATOM 1949 CG2 VAL A 244 18.020 17.047 15.644 1.00 0.00 C +ATOM 1950 N ALA A 245 21.738 14.317 15.889 1.00 0.00 N +ATOM 1951 CA ALA A 245 22.677 13.334 16.424 1.00 0.00 C +ATOM 1952 C ALA A 245 24.105 13.871 16.401 1.00 0.00 C +ATOM 1953 CB ALA A 245 22.589 12.030 15.635 1.00 0.00 C +ATOM 1954 O ALA A 245 24.891 13.602 17.313 1.00 0.00 O +ATOM 1955 N GLN A 246 24.508 14.714 15.451 1.00 0.00 N +ATOM 1956 CA GLN A 246 25.819 15.347 15.359 1.00 0.00 C +ATOM 1957 C GLN A 246 25.979 16.436 16.415 1.00 0.00 C +ATOM 1958 CB GLN A 246 26.036 15.934 13.963 1.00 0.00 C +ATOM 1959 O GLN A 246 27.073 16.638 16.945 1.00 0.00 O +ATOM 1960 CG GLN A 246 26.395 14.895 12.908 1.00 0.00 C +ATOM 1961 CD GLN A 246 26.631 15.506 11.540 1.00 0.00 C +ATOM 1962 NE2 GLN A 246 27.092 14.690 10.598 1.00 0.00 N +ATOM 1963 OE1 GLN A 246 26.401 16.701 11.331 1.00 0.00 O +ATOM 1964 N GLN A 247 24.840 17.101 16.809 1.00 0.00 N +ATOM 1965 CA GLN A 247 24.848 18.151 17.823 1.00 0.00 C +ATOM 1966 C GLN A 247 24.867 17.558 19.229 1.00 0.00 C +ATOM 1967 CB GLN A 247 23.635 19.067 17.657 1.00 0.00 C +ATOM 1968 O GLN A 247 25.438 18.147 20.149 1.00 0.00 O +ATOM 1969 CG GLN A 247 23.690 19.940 16.410 1.00 0.00 C +ATOM 1970 CD GLN A 247 22.407 20.716 16.180 1.00 0.00 C +ATOM 1971 NE2 GLN A 247 22.370 21.497 15.105 1.00 0.00 N +ATOM 1972 OE1 GLN A 247 21.455 20.614 16.961 1.00 0.00 O +ATOM 1973 N GLN A 248 24.294 16.314 19.380 1.00 0.00 N +ATOM 1974 CA GLN A 248 24.134 15.669 20.679 1.00 0.00 C +ATOM 1975 C GLN A 248 24.876 14.337 20.727 1.00 0.00 C +ATOM 1976 CB GLN A 248 22.652 15.456 20.994 1.00 0.00 C +ATOM 1977 O GLN A 248 24.318 13.324 21.152 1.00 0.00 O +ATOM 1978 CG GLN A 248 21.873 16.749 21.190 1.00 0.00 C +ATOM 1979 CD GLN A 248 20.433 16.510 21.605 1.00 0.00 C +ATOM 1980 NE2 GLN A 248 19.784 17.549 22.119 1.00 0.00 N +ATOM 1981 OE1 GLN A 248 19.909 15.401 21.464 1.00 0.00 O +ATOM 1982 N LYS A 249 26.131 14.314 20.365 1.00 0.00 N +ATOM 1983 CA LYS A 249 26.966 13.138 20.136 1.00 0.00 C +ATOM 1984 C LYS A 249 27.011 12.247 21.374 1.00 0.00 C +ATOM 1985 CB LYS A 249 28.382 13.554 19.738 1.00 0.00 C +ATOM 1986 O LYS A 249 27.165 11.029 21.263 1.00 0.00 O +ATOM 1987 CG LYS A 249 28.508 14.018 18.294 1.00 0.00 C +ATOM 1988 CD LYS A 249 29.956 14.319 17.928 1.00 0.00 C +ATOM 1989 CE LYS A 249 30.091 14.724 16.466 1.00 0.00 C +ATOM 1990 NZ LYS A 249 31.509 15.021 16.103 1.00 0.00 N +ATOM 1991 N ASP A 250 26.766 12.903 22.555 1.00 0.00 N +ATOM 1992 CA ASP A 250 26.946 12.212 23.828 1.00 0.00 C +ATOM 1993 C ASP A 250 25.630 11.616 24.321 1.00 0.00 C +ATOM 1994 CB ASP A 250 27.518 13.165 24.880 1.00 0.00 C +ATOM 1995 O ASP A 250 25.607 10.878 25.308 1.00 0.00 O +ATOM 1996 CG ASP A 250 28.852 13.766 24.473 1.00 0.00 C +ATOM 1997 OD1 ASP A 250 29.658 13.073 23.814 1.00 0.00 O +ATOM 1998 OD2 ASP A 250 29.102 14.941 24.816 1.00 0.00 O +ATOM 1999 N SER A 251 24.629 11.860 23.597 1.00 0.00 N +ATOM 2000 CA SER A 251 23.334 11.331 24.015 1.00 0.00 C +ATOM 2001 C SER A 251 23.048 9.985 23.357 1.00 0.00 C +ATOM 2002 CB SER A 251 22.217 12.319 23.679 1.00 0.00 C +ATOM 2003 O SER A 251 22.601 9.932 22.210 1.00 0.00 O +ATOM 2004 OG SER A 251 20.966 11.840 24.139 1.00 0.00 O +ATOM 2005 N GLU A 252 23.277 8.859 24.069 1.00 0.00 N +ATOM 2006 CA GLU A 252 22.967 7.490 23.671 1.00 0.00 C +ATOM 2007 C GLU A 252 21.517 7.363 23.213 1.00 0.00 C +ATOM 2008 CB GLU A 252 23.242 6.519 24.823 1.00 0.00 C +ATOM 2009 O GLU A 252 21.221 6.629 22.267 1.00 0.00 O +ATOM 2010 CG GLU A 252 23.168 5.053 24.422 1.00 0.00 C +ATOM 2011 CD GLU A 252 23.349 4.101 25.594 1.00 0.00 C +ATOM 2012 OE1 GLU A 252 23.698 4.564 26.704 1.00 0.00 O +ATOM 2013 OE2 GLU A 252 23.141 2.883 25.401 1.00 0.00 O +ATOM 2014 N SER A 253 20.607 8.054 23.802 1.00 0.00 N +ATOM 2015 CA SER A 253 19.186 8.070 23.471 1.00 0.00 C +ATOM 2016 C SER A 253 18.952 8.597 22.059 1.00 0.00 C +ATOM 2017 CB SER A 253 18.411 8.922 24.477 1.00 0.00 C +ATOM 2018 O SER A 253 18.177 8.017 21.296 1.00 0.00 O +ATOM 2019 OG SER A 253 18.852 10.269 24.440 1.00 0.00 O +ATOM 2020 N THR A 254 19.668 9.646 21.645 1.00 0.00 N +ATOM 2021 CA THR A 254 19.555 10.243 20.319 1.00 0.00 C +ATOM 2022 C THR A 254 20.106 9.301 19.253 1.00 0.00 C +ATOM 2023 CB THR A 254 20.296 11.591 20.248 1.00 0.00 C +ATOM 2024 O THR A 254 19.448 9.045 18.242 1.00 0.00 O +ATOM 2025 CG2 THR A 254 20.120 12.245 18.882 1.00 0.00 C +ATOM 2026 OG1 THR A 254 19.777 12.468 21.256 1.00 0.00 O +ATOM 2027 N GLN A 255 21.313 8.687 19.558 1.00 0.00 N +ATOM 2028 CA GLN A 255 21.896 7.718 18.637 1.00 0.00 C +ATOM 2029 C GLN A 255 20.977 6.514 18.451 1.00 0.00 C +ATOM 2030 CB GLN A 255 23.267 7.259 19.136 1.00 0.00 C +ATOM 2031 O GLN A 255 20.826 6.008 17.337 1.00 0.00 O +ATOM 2032 CG GLN A 255 24.325 8.354 19.121 1.00 0.00 C +ATOM 2033 CD GLN A 255 25.697 7.851 19.529 1.00 0.00 C +ATOM 2034 NE2 GLN A 255 26.619 8.776 19.775 1.00 0.00 N +ATOM 2035 OE1 GLN A 255 25.926 6.641 19.622 1.00 0.00 O +ATOM 2036 N LYS A 256 20.335 6.086 19.491 1.00 0.00 N +ATOM 2037 CA LYS A 256 19.371 4.991 19.430 1.00 0.00 C +ATOM 2038 C LYS A 256 18.141 5.387 18.618 1.00 0.00 C +ATOM 2039 CB LYS A 256 18.954 4.564 20.839 1.00 0.00 C +ATOM 2040 O LYS A 256 17.691 4.630 17.755 1.00 0.00 O +ATOM 2041 CG LYS A 256 18.006 3.374 20.869 1.00 0.00 C +ATOM 2042 CD LYS A 256 17.692 2.946 22.297 1.00 0.00 C +ATOM 2043 CE LYS A 256 16.742 1.757 22.329 1.00 0.00 C +ATOM 2044 NZ LYS A 256 16.445 1.323 23.727 1.00 0.00 N +ATOM 2045 N ALA A 257 17.631 6.530 18.797 1.00 0.00 N +ATOM 2046 CA ALA A 257 16.496 7.035 18.027 1.00 0.00 C +ATOM 2047 C ALA A 257 16.849 7.158 16.548 1.00 0.00 C +ATOM 2048 CB ALA A 257 16.038 8.383 18.576 1.00 0.00 C +ATOM 2049 O ALA A 257 16.088 6.717 15.683 1.00 0.00 O +ATOM 2050 N GLU A 258 18.054 7.638 16.236 1.00 0.00 N +ATOM 2051 CA GLU A 258 18.559 7.724 14.869 1.00 0.00 C +ATOM 2052 C GLU A 258 18.614 6.347 14.214 1.00 0.00 C +ATOM 2053 CB GLU A 258 19.946 8.372 14.847 1.00 0.00 C +ATOM 2054 O GLU A 258 18.066 6.147 13.128 1.00 0.00 O +ATOM 2055 CG GLU A 258 20.477 8.641 13.446 1.00 0.00 C +ATOM 2056 CD GLU A 258 21.904 9.165 13.437 1.00 0.00 C +ATOM 2057 OE1 GLU A 258 22.476 9.389 14.528 1.00 0.00 O +ATOM 2058 OE2 GLU A 258 22.455 9.354 12.329 1.00 0.00 O +ATOM 2059 N ARG A 259 19.125 5.390 14.864 1.00 0.00 N +ATOM 2060 CA ARG A 259 19.253 4.030 14.351 1.00 0.00 C +ATOM 2061 C ARG A 259 17.884 3.401 14.117 1.00 0.00 C +ATOM 2062 CB ARG A 259 20.069 3.166 15.314 1.00 0.00 C +ATOM 2063 O ARG A 259 17.672 2.716 13.115 1.00 0.00 O +ATOM 2064 CG ARG A 259 21.562 3.453 15.286 1.00 0.00 C +ATOM 2065 CD ARG A 259 22.313 2.637 16.329 1.00 0.00 C +ATOM 2066 NE ARG A 259 23.696 3.083 16.469 1.00 0.00 N +ATOM 2067 NH1 ARG A 259 24.235 1.568 18.127 1.00 0.00 N +ATOM 2068 NH2 ARG A 259 25.811 3.047 17.363 1.00 0.00 N +ATOM 2069 CZ ARG A 259 24.578 2.565 17.319 1.00 0.00 C +ATOM 2070 N GLU A 260 16.938 3.654 14.996 1.00 0.00 N +ATOM 2071 CA GLU A 260 15.593 3.103 14.870 1.00 0.00 C +ATOM 2072 C GLU A 260 14.851 3.722 13.688 1.00 0.00 C +ATOM 2073 CB GLU A 260 14.799 3.320 16.161 1.00 0.00 C +ATOM 2074 O GLU A 260 14.261 3.007 12.876 1.00 0.00 O +ATOM 2075 CG GLU A 260 15.179 2.366 17.284 1.00 0.00 C +ATOM 2076 CD GLU A 260 14.288 2.497 18.509 1.00 0.00 C +ATOM 2077 OE1 GLU A 260 13.501 3.467 18.587 1.00 0.00 O +ATOM 2078 OE2 GLU A 260 14.379 1.623 19.400 1.00 0.00 O +ATOM 2079 N VAL A 261 14.973 4.956 13.468 1.00 0.00 N +ATOM 2080 CA VAL A 261 14.320 5.654 12.365 1.00 0.00 C +ATOM 2081 C VAL A 261 15.009 5.301 11.049 1.00 0.00 C +ATOM 2082 CB VAL A 261 14.328 7.184 12.578 1.00 0.00 C +ATOM 2083 O VAL A 261 14.346 4.966 10.065 1.00 0.00 O +ATOM 2084 CG1 VAL A 261 13.812 7.905 11.335 1.00 0.00 C +ATOM 2085 CG2 VAL A 261 13.492 7.556 13.801 1.00 0.00 C +ATOM 2086 N THR A 262 16.341 5.345 11.026 1.00 0.00 N +ATOM 2087 CA THR A 262 17.092 4.920 9.850 1.00 0.00 C +ATOM 2088 C THR A 262 16.697 3.504 9.439 1.00 0.00 C +ATOM 2089 CB THR A 262 18.609 4.979 10.104 1.00 0.00 C +ATOM 2090 O THR A 262 16.379 3.256 8.274 1.00 0.00 O +ATOM 2091 CG2 THR A 262 19.391 4.526 8.875 1.00 0.00 C +ATOM 2092 OG1 THR A 262 18.982 6.325 10.423 1.00 0.00 O +ATOM 2093 N ARG A 263 16.707 2.657 10.377 1.00 0.00 N +ATOM 2094 CA ARG A 263 16.275 1.284 10.137 1.00 0.00 C +ATOM 2095 C ARG A 263 14.849 1.245 9.599 1.00 0.00 C +ATOM 2096 CB ARG A 263 16.373 0.457 11.421 1.00 0.00 C +ATOM 2097 O ARG A 263 14.555 0.505 8.657 1.00 0.00 O +ATOM 2098 CG ARG A 263 16.020 -1.011 11.236 1.00 0.00 C +ATOM 2099 CD ARG A 263 16.140 -1.788 12.540 1.00 0.00 C +ATOM 2100 NE ARG A 263 15.719 -3.177 12.380 1.00 0.00 N +ATOM 2101 NH1 ARG A 263 16.023 -3.741 14.600 1.00 0.00 N +ATOM 2102 NH2 ARG A 263 15.275 -5.310 13.106 1.00 0.00 N +ATOM 2103 CZ ARG A 263 15.673 -4.073 13.362 1.00 0.00 C +ATOM 2104 N MET A 264 13.950 2.037 10.097 1.00 0.00 N +ATOM 2105 CA MET A 264 12.564 2.137 9.647 1.00 0.00 C +ATOM 2106 C MET A 264 12.495 2.602 8.196 1.00 0.00 C +ATOM 2107 CB MET A 264 11.776 3.095 10.542 1.00 0.00 C +ATOM 2108 O MET A 264 11.813 1.988 7.375 1.00 0.00 O +ATOM 2109 CG MET A 264 10.300 3.186 10.192 1.00 0.00 C +ATOM 2110 SD MET A 264 9.397 4.380 11.253 1.00 0.00 S +ATOM 2111 CE MET A 264 10.069 5.942 10.620 1.00 0.00 C +ATOM 2112 N VAL A 265 13.187 3.585 7.854 1.00 0.00 N +ATOM 2113 CA VAL A 265 13.237 4.142 6.507 1.00 0.00 C +ATOM 2114 C VAL A 265 13.746 3.085 5.529 1.00 0.00 C +ATOM 2115 CB VAL A 265 14.133 5.399 6.445 1.00 0.00 C +ATOM 2116 O VAL A 265 13.108 2.816 4.508 1.00 0.00 O +ATOM 2117 CG1 VAL A 265 14.343 5.843 4.999 1.00 0.00 C +ATOM 2118 CG2 VAL A 265 13.522 6.530 7.271 1.00 0.00 C +ATOM 2119 N ILE A 266 14.831 2.457 5.866 1.00 0.33 N +ATOM 2120 CA ILE A 266 15.439 1.446 5.008 1.00 0.33 C +ATOM 2121 C ILE A 266 14.459 0.294 4.794 1.00 0.33 C +ATOM 2122 CB ILE A 266 16.763 0.920 5.605 1.00 0.33 C +ATOM 2123 O ILE A 266 14.204 -0.109 3.657 1.00 0.33 O +ATOM 2124 CG1 ILE A 266 17.847 2.001 5.535 1.00 0.33 C +ATOM 2125 CG2 ILE A 266 17.212 -0.354 4.882 1.00 0.33 C +ATOM 2126 CD1 ILE A 266 19.083 1.694 6.369 1.00 0.33 C +ATOM 2127 N VAL A 267 13.780 -0.174 5.838 1.00 0.00 N +ATOM 2128 CA VAL A 267 12.845 -1.291 5.750 1.00 0.00 C +ATOM 2129 C VAL A 267 11.642 -0.892 4.899 1.00 0.00 C +ATOM 2130 CB VAL A 267 12.378 -1.751 7.150 1.00 0.00 C +ATOM 2131 O VAL A 267 11.202 -1.657 4.038 1.00 0.00 O +ATOM 2132 CG1 VAL A 267 11.200 -2.716 7.035 1.00 0.00 C +ATOM 2133 CG2 VAL A 267 13.533 -2.401 7.910 1.00 0.00 C +ATOM 2134 N MET A 268 11.120 0.298 4.981 1.00 0.41 N +ATOM 2135 CA MET A 268 9.979 0.785 4.212 1.00 0.41 C +ATOM 2136 C MET A 268 10.340 0.936 2.738 1.00 0.41 C +ATOM 2137 CB MET A 268 9.485 2.122 4.769 1.00 0.41 C +ATOM 2138 O MET A 268 9.611 0.463 1.864 1.00 0.41 O +ATOM 2139 CG MET A 268 8.718 1.996 6.074 1.00 0.41 C +ATOM 2140 SD MET A 268 7.996 3.591 6.622 1.00 0.41 S +ATOM 2141 CE MET A 268 6.963 3.019 8.000 1.00 0.41 C +ATOM 2142 N VAL A 269 11.467 1.560 2.452 1.00 0.00 N +ATOM 2143 CA VAL A 269 11.920 1.762 1.079 1.00 0.00 C +ATOM 2144 C VAL A 269 12.194 0.412 0.421 1.00 0.00 C +ATOM 2145 CB VAL A 269 13.184 2.649 1.023 1.00 0.00 C +ATOM 2146 O VAL A 269 11.731 0.151 -0.691 1.00 0.00 O +ATOM 2147 CG1 VAL A 269 13.782 2.648 -0.383 1.00 0.00 C +ATOM 2148 CG2 VAL A 269 12.857 4.073 1.467 1.00 0.00 C +ATOM 2149 N VAL A 270 12.853 -0.507 1.144 1.00 0.05 N +ATOM 2150 CA VAL A 270 13.158 -1.842 0.639 1.00 0.05 C +ATOM 2151 C VAL A 270 11.863 -2.618 0.413 1.00 0.05 C +ATOM 2152 CB VAL A 270 14.082 -2.617 1.606 1.00 0.05 C +ATOM 2153 O VAL A 270 11.661 -3.203 -0.654 1.00 0.05 O +ATOM 2154 CG1 VAL A 270 14.151 -4.093 1.220 1.00 0.05 C +ATOM 2155 CG2 VAL A 270 15.478 -1.999 1.620 1.00 0.05 C +ATOM 2156 N ALA A 271 10.924 -2.604 1.354 1.00 0.00 N +ATOM 2157 CA ALA A 271 9.626 -3.262 1.221 1.00 0.00 C +ATOM 2158 C ALA A 271 8.848 -2.704 0.033 1.00 0.00 C +ATOM 2159 CB ALA A 271 8.816 -3.104 2.505 1.00 0.00 C +ATOM 2160 O ALA A 271 8.313 -3.464 -0.778 1.00 0.00 O +ATOM 2161 N PHE A 272 8.880 -1.480 -0.146 1.00 5.11 N +ATOM 2162 CA PHE A 272 8.222 -0.820 -1.268 1.00 5.11 C +ATOM 2163 C PHE A 272 8.864 -1.227 -2.588 1.00 5.11 C +ATOM 2164 CB PHE A 272 8.277 0.703 -1.105 1.00 5.11 C +ATOM 2165 O PHE A 272 8.167 -1.609 -3.531 1.00 5.11 O +ATOM 2166 CG PHE A 272 7.467 1.453 -2.127 1.00 5.11 C +ATOM 2167 CD1 PHE A 272 6.152 1.814 -1.863 1.00 5.11 C +ATOM 2168 CD2 PHE A 272 8.022 1.796 -3.353 1.00 5.11 C +ATOM 2169 CE1 PHE A 272 5.400 2.509 -2.808 1.00 5.11 C +ATOM 2170 CE2 PHE A 272 7.277 2.490 -4.302 1.00 5.11 C +ATOM 2171 CZ PHE A 272 5.965 2.844 -4.028 1.00 5.11 C +ATOM 2172 N VAL A 273 10.173 -1.115 -2.747 1.00 0.07 N +ATOM 2173 CA VAL A 273 10.901 -1.462 -3.964 1.00 0.07 C +ATOM 2174 C VAL A 273 10.673 -2.933 -4.301 1.00 0.07 C +ATOM 2175 CB VAL A 273 12.413 -1.175 -3.821 1.00 0.07 C +ATOM 2176 O VAL A 273 10.461 -3.285 -5.464 1.00 0.07 O +ATOM 2177 CG1 VAL A 273 13.186 -1.758 -5.002 1.00 0.07 C +ATOM 2178 CG2 VAL A 273 12.662 0.328 -3.705 1.00 0.07 C +ATOM 2179 N ILE A 274 10.627 -3.819 -3.309 1.00 0.04 N +ATOM 2180 CA ILE A 274 10.404 -5.247 -3.510 1.00 0.04 C +ATOM 2181 C ILE A 274 8.965 -5.485 -3.962 1.00 0.04 C +ATOM 2182 CB ILE A 274 10.703 -6.052 -2.226 1.00 0.04 C +ATOM 2183 O ILE A 274 8.716 -6.286 -4.867 1.00 0.04 O +ATOM 2184 CG1 ILE A 274 12.213 -6.095 -1.962 1.00 0.04 C +ATOM 2185 CG2 ILE A 274 10.125 -7.467 -2.329 1.00 0.04 C +ATOM 2186 CD1 ILE A 274 12.588 -6.685 -0.610 1.00 0.04 C +ATOM 2187 N CYS A 275 7.969 -4.763 -3.469 1.00 0.00 N +ATOM 2188 CA CYS A 275 6.554 -5.021 -3.715 1.00 0.00 C +ATOM 2189 C CYS A 275 6.090 -4.339 -4.997 1.00 0.00 C +ATOM 2190 CB CYS A 275 5.709 -4.540 -2.536 1.00 0.00 C +ATOM 2191 O CYS A 275 5.420 -4.957 -5.826 1.00 0.00 O +ATOM 2192 SG CYS A 275 5.981 -5.477 -1.016 1.00 0.00 S +ATOM 2193 N TRP A 276 6.557 -3.109 -5.206 1.00 2.86 N +ATOM 2194 CA TRP A 276 5.997 -2.271 -6.262 1.00 2.86 C +ATOM 2195 C TRP A 276 6.994 -2.094 -7.402 1.00 2.86 C +ATOM 2196 CB TRP A 276 5.592 -0.903 -5.705 1.00 2.86 C +ATOM 2197 O TRP A 276 6.605 -1.797 -8.534 1.00 2.86 O +ATOM 2198 CG TRP A 276 4.345 -0.930 -4.873 1.00 2.86 C +ATOM 2199 CD1 TRP A 276 4.265 -0.980 -3.509 1.00 2.86 C +ATOM 2200 CD2 TRP A 276 2.997 -0.913 -5.354 1.00 2.86 C +ATOM 2201 CE2 TRP A 276 2.150 -0.954 -4.224 1.00 2.86 C +ATOM 2202 CE3 TRP A 276 2.423 -0.866 -6.631 1.00 2.86 C +ATOM 2203 NE1 TRP A 276 2.947 -0.995 -3.112 1.00 2.86 N +ATOM 2204 CH2 TRP A 276 0.222 -0.903 -5.596 1.00 2.86 C +ATOM 2205 CZ2 TRP A 276 0.757 -0.949 -4.335 1.00 2.86 C +ATOM 2206 CZ3 TRP A 276 1.037 -0.861 -6.739 1.00 2.86 C +ATOM 2207 N GLY A 277 8.331 -2.293 -7.154 1.00 0.92 N +ATOM 2208 CA GLY A 277 9.377 -2.173 -8.157 1.00 0.92 C +ATOM 2209 C GLY A 277 9.163 -3.080 -9.354 1.00 0.92 C +ATOM 2210 O GLY A 277 9.139 -2.615 -10.495 1.00 0.92 O +ATOM 2211 N PRO A 278 8.877 -4.416 -9.104 1.00 0.00 N +ATOM 2212 CA PRO A 278 8.592 -5.307 -10.232 1.00 0.00 C +ATOM 2213 C PRO A 278 7.353 -4.885 -11.017 1.00 0.00 C +ATOM 2214 CB PRO A 278 8.379 -6.667 -9.562 1.00 0.00 C +ATOM 2215 O PRO A 278 7.367 -4.892 -12.251 1.00 0.00 O +ATOM 2216 CG PRO A 278 9.202 -6.612 -8.316 1.00 0.00 C +ATOM 2217 CD PRO A 278 9.098 -5.231 -7.736 1.00 0.00 C +ATOM 2218 N TYR A 279 6.277 -4.489 -10.338 1.00 0.00 N +ATOM 2219 CA TYR A 279 5.046 -4.009 -10.956 1.00 0.00 C +ATOM 2220 C TYR A 279 5.302 -2.747 -11.772 1.00 0.00 C +ATOM 2221 CB TYR A 279 3.981 -3.734 -9.891 1.00 0.00 C +ATOM 2222 O TYR A 279 4.943 -2.678 -12.950 1.00 0.00 O +ATOM 2223 CG TYR A 279 2.648 -3.313 -10.460 1.00 0.00 C +ATOM 2224 CD1 TYR A 279 1.736 -4.259 -10.924 1.00 0.00 C +ATOM 2225 CD2 TYR A 279 2.297 -1.969 -10.536 1.00 0.00 C +ATOM 2226 CE1 TYR A 279 0.507 -3.875 -11.451 1.00 0.00 C +ATOM 2227 CE2 TYR A 279 1.072 -1.574 -11.061 1.00 0.00 C +ATOM 2228 OH TYR A 279 -1.031 -2.147 -12.036 1.00 0.00 O +ATOM 2229 CZ TYR A 279 0.184 -2.533 -11.515 1.00 0.00 C +ATOM 2230 N ALA A 280 5.980 -1.737 -11.238 1.00 6.71 N +ATOM 2231 CA ALA A 280 6.307 -0.484 -11.914 1.00 6.71 C +ATOM 2232 C ALA A 280 7.216 -0.729 -13.114 1.00 6.71 C +ATOM 2233 CB ALA A 280 6.967 0.489 -10.940 1.00 6.71 C +ATOM 2234 O ALA A 280 6.989 -0.181 -14.195 1.00 6.71 O +ATOM 2235 N THR A 281 8.276 -1.599 -12.958 1.00 0.62 N +ATOM 2236 CA THR A 281 9.178 -1.974 -14.040 1.00 0.62 C +ATOM 2237 C THR A 281 8.413 -2.659 -15.169 1.00 0.62 C +ATOM 2238 CB THR A 281 10.298 -2.904 -13.537 1.00 0.62 C +ATOM 2239 O THR A 281 8.544 -2.279 -16.335 1.00 0.62 O +ATOM 2240 CG2 THR A 281 11.274 -3.246 -14.658 1.00 0.62 C +ATOM 2241 OG1 THR A 281 11.011 -2.254 -12.478 1.00 0.62 O +ATOM 2242 N PHE A 282 7.590 -3.566 -14.796 1.00 4.76 N +ATOM 2243 CA PHE A 282 6.804 -4.305 -15.777 1.00 4.76 C +ATOM 2244 C PHE A 282 5.812 -3.385 -16.479 1.00 4.76 C +ATOM 2245 CB PHE A 282 6.061 -5.466 -15.109 1.00 4.76 C +ATOM 2246 O PHE A 282 5.708 -3.397 -17.708 1.00 4.76 O +ATOM 2247 CG PHE A 282 5.243 -6.293 -16.063 1.00 4.76 C +ATOM 2248 CD1 PHE A 282 5.819 -7.350 -16.758 1.00 4.76 C +ATOM 2249 CD2 PHE A 282 3.898 -6.014 -16.266 1.00 4.76 C +ATOM 2250 CE1 PHE A 282 5.064 -8.117 -17.642 1.00 4.76 C +ATOM 2251 CE2 PHE A 282 3.138 -6.776 -17.148 1.00 4.76 C +ATOM 2252 CZ PHE A 282 3.723 -7.827 -17.836 1.00 4.76 C +ATOM 2253 N ALA A 283 5.065 -2.561 -15.772 1.00 0.00 N +ATOM 2254 CA ALA A 283 4.110 -1.605 -16.328 1.00 0.00 C +ATOM 2255 C ALA A 283 4.807 -0.607 -17.249 1.00 0.00 C +ATOM 2256 CB ALA A 283 3.379 -0.870 -15.207 1.00 0.00 C +ATOM 2257 O ALA A 283 4.342 -0.351 -18.362 1.00 0.00 O +ATOM 2258 N THR A 284 5.975 -0.060 -16.917 1.00 0.00 N +ATOM 2259 CA THR A 284 6.784 0.846 -17.724 1.00 0.00 C +ATOM 2260 C THR A 284 7.259 0.156 -19.000 1.00 0.00 C +ATOM 2261 CB THR A 284 8.000 1.364 -16.934 1.00 0.00 C +ATOM 2262 O THR A 284 7.100 0.693 -20.098 1.00 0.00 O +ATOM 2263 CG2 THR A 284 8.810 2.358 -17.760 1.00 0.00 C +ATOM 2264 OG1 THR A 284 7.545 2.010 -15.739 1.00 0.00 O +ATOM 2265 N PHE A 285 7.783 -1.033 -18.836 1.00 0.02 N +ATOM 2266 CA PHE A 285 8.271 -1.782 -19.988 1.00 0.02 C +ATOM 2267 C PHE A 285 7.131 -2.102 -20.948 1.00 0.02 C +ATOM 2268 CB PHE A 285 8.958 -3.076 -19.538 1.00 0.02 C +ATOM 2269 O PHE A 285 7.255 -1.897 -22.157 1.00 0.02 O +ATOM 2270 CG PHE A 285 9.622 -3.831 -20.657 1.00 0.02 C +ATOM 2271 CD1 PHE A 285 10.967 -3.634 -20.945 1.00 0.02 C +ATOM 2272 CD2 PHE A 285 8.901 -4.739 -21.422 1.00 0.02 C +ATOM 2273 CE1 PHE A 285 11.585 -4.332 -21.980 1.00 0.02 C +ATOM 2274 CE2 PHE A 285 9.512 -5.440 -22.458 1.00 0.02 C +ATOM 2275 CZ PHE A 285 10.853 -5.234 -22.736 1.00 0.02 C +ATOM 2276 N SER A 286 5.926 -2.517 -20.477 1.00 0.62 N +ATOM 2277 CA SER A 286 4.741 -2.803 -21.279 1.00 0.62 C +ATOM 2278 C SER A 286 4.230 -1.546 -21.977 1.00 0.62 C +ATOM 2279 CB SER A 286 3.634 -3.398 -20.408 1.00 0.62 C +ATOM 2280 O SER A 286 3.884 -1.584 -23.159 1.00 0.62 O +ATOM 2281 OG SER A 286 4.053 -4.622 -19.830 1.00 0.62 O +ATOM 2282 N ALA A 287 4.312 -0.381 -21.318 1.00 0.61 N +ATOM 2283 CA ALA A 287 3.908 0.909 -21.871 1.00 0.61 C +ATOM 2284 C ALA A 287 4.879 1.370 -22.954 1.00 0.61 C +ATOM 2285 CB ALA A 287 3.814 1.957 -20.764 1.00 0.61 C +ATOM 2286 O ALA A 287 4.466 1.944 -23.964 1.00 0.61 O +ATOM 2287 N CYS A 288 6.190 1.025 -22.875 1.00 0.02 N +ATOM 2288 CA CYS A 288 7.244 1.440 -23.795 1.00 0.02 C +ATOM 2289 C CYS A 288 7.356 0.472 -24.967 1.00 0.02 C +ATOM 2290 CB CYS A 288 8.585 1.532 -23.068 1.00 0.02 C +ATOM 2291 O CYS A 288 7.797 0.854 -26.053 1.00 0.02 O +ATOM 2292 SG CYS A 288 8.671 2.881 -21.869 1.00 0.02 S +ATOM 2293 N ASN A 289 6.940 -0.735 -24.814 1.00 1.44 N +ATOM 2294 CA ASN A 289 7.069 -1.779 -25.825 1.00 1.44 C +ATOM 2295 C ASN A 289 5.723 -2.430 -26.133 1.00 1.44 C +ATOM 2296 CB ASN A 289 8.081 -2.836 -25.379 1.00 1.44 C +ATOM 2297 O ASN A 289 5.531 -3.619 -25.873 1.00 1.44 O +ATOM 2298 CG ASN A 289 9.464 -2.260 -25.148 1.00 1.44 C +ATOM 2299 ND2 ASN A 289 9.731 -1.834 -23.919 1.00 1.44 N +ATOM 2300 OD1 ASN A 289 10.285 -2.197 -26.066 1.00 1.44 O +ATOM 2301 N PRO A 290 4.847 -1.527 -26.662 1.00 1.08 N +ATOM 2302 CA PRO A 290 3.575 -2.114 -27.091 1.00 1.08 C +ATOM 2303 C PRO A 290 3.756 -3.211 -28.139 1.00 1.08 C +ATOM 2304 CB PRO A 290 2.815 -0.921 -27.676 1.00 1.08 C +ATOM 2305 O PRO A 290 4.596 -3.083 -29.033 1.00 1.08 O +ATOM 2306 CG PRO A 290 3.879 -0.009 -28.198 1.00 1.08 C +ATOM 2307 CD PRO A 290 5.091 -0.140 -27.321 1.00 1.08 C +ATOM 2308 N GLY A 291 3.377 -4.333 -28.065 1.00 0.00 N +ATOM 2309 CA GLY A 291 3.436 -5.482 -28.954 1.00 0.00 C +ATOM 2310 C GLY A 291 4.309 -6.603 -28.423 1.00 0.00 C +ATOM 2311 O GLY A 291 4.325 -7.703 -28.981 1.00 0.00 O +ATOM 2312 N TYR A 292 5.108 -6.235 -27.418 1.00 0.37 N +ATOM 2313 CA TYR A 292 5.843 -7.319 -26.777 1.00 0.37 C +ATOM 2314 C TYR A 292 4.891 -8.306 -26.113 1.00 0.37 C +ATOM 2315 CB TYR A 292 6.826 -6.764 -25.742 1.00 0.37 C +ATOM 2316 O TYR A 292 4.260 -7.986 -25.102 1.00 0.37 O +ATOM 2317 CG TYR A 292 7.790 -7.794 -25.206 1.00 0.37 C +ATOM 2318 CD1 TYR A 292 7.487 -8.533 -24.064 1.00 0.37 C +ATOM 2319 CD2 TYR A 292 9.005 -8.031 -25.839 1.00 0.37 C +ATOM 2320 CE1 TYR A 292 8.373 -9.482 -23.566 1.00 0.37 C +ATOM 2321 CE2 TYR A 292 9.899 -8.978 -25.349 1.00 0.37 C +ATOM 2322 OH TYR A 292 10.455 -10.636 -23.725 1.00 0.37 O +ATOM 2323 CZ TYR A 292 9.574 -9.698 -24.214 1.00 0.37 C +ATOM 2324 N ALA A 293 4.678 -9.432 -26.697 1.00 0.50 N +ATOM 2325 CA ALA A 293 3.849 -10.502 -26.147 1.00 0.50 C +ATOM 2326 C ALA A 293 4.497 -11.117 -24.910 1.00 0.50 C +ATOM 2327 CB ALA A 293 3.597 -11.576 -27.202 1.00 0.50 C +ATOM 2328 O ALA A 293 5.298 -12.048 -25.020 1.00 0.50 O +ATOM 2329 N TRP A 294 4.114 -10.570 -23.826 1.00 0.00 N +ATOM 2330 CA TRP A 294 4.561 -11.148 -22.564 1.00 0.00 C +ATOM 2331 C TRP A 294 4.000 -12.554 -22.380 1.00 0.00 C +ATOM 2332 CB TRP A 294 4.144 -10.261 -21.388 1.00 0.00 C +ATOM 2333 O TRP A 294 2.817 -12.795 -22.630 1.00 0.00 O +ATOM 2334 CG TRP A 294 4.773 -8.899 -21.399 1.00 0.00 C +ATOM 2335 CD1 TRP A 294 4.217 -7.740 -21.864 1.00 0.00 C +ATOM 2336 CD2 TRP A 294 6.080 -8.558 -20.929 1.00 0.00 C +ATOM 2337 CE2 TRP A 294 6.251 -7.172 -21.138 1.00 0.00 C +ATOM 2338 CE3 TRP A 294 7.124 -9.291 -20.348 1.00 0.00 C +ATOM 2339 NE1 TRP A 294 5.101 -6.697 -21.709 1.00 0.00 N +ATOM 2340 CH2 TRP A 294 8.432 -7.243 -20.221 1.00 0.00 C +ATOM 2341 CZ2 TRP A 294 7.426 -6.503 -20.787 1.00 0.00 C +ATOM 2342 CZ3 TRP A 294 8.293 -8.623 -20.000 1.00 0.00 C +ATOM 2343 N HIS A 295 4.906 -13.444 -21.943 1.00 2.44 N +ATOM 2344 CA HIS A 295 4.405 -14.703 -21.402 1.00 2.44 C +ATOM 2345 C HIS A 295 3.428 -14.459 -20.257 1.00 2.44 C +ATOM 2346 CB HIS A 295 5.563 -15.581 -20.926 1.00 2.44 C +ATOM 2347 O HIS A 295 3.689 -13.637 -19.376 1.00 2.44 O +ATOM 2348 CG HIS A 295 5.153 -16.974 -20.570 1.00 2.44 C +ATOM 2349 CD2 HIS A 295 5.067 -18.096 -21.323 1.00 2.44 C +ATOM 2350 ND1 HIS A 295 4.765 -17.333 -19.297 1.00 2.44 N +ATOM 2351 CE1 HIS A 295 4.459 -18.620 -19.283 1.00 2.44 C +ATOM 2352 NE2 HIS A 295 4.634 -19.106 -20.500 1.00 2.44 N +ATOM 2353 N PRO A 296 2.262 -15.088 -20.091 1.00 0.00 N +ATOM 2354 CA PRO A 296 1.209 -14.790 -19.117 1.00 0.00 C +ATOM 2355 C PRO A 296 1.704 -14.861 -17.674 1.00 0.00 C +ATOM 2356 CB PRO A 296 0.162 -15.873 -19.388 1.00 0.00 C +ATOM 2357 O PRO A 296 1.325 -14.028 -16.846 1.00 0.00 O +ATOM 2358 CG PRO A 296 0.280 -16.162 -20.850 1.00 0.00 C +ATOM 2359 CD PRO A 296 1.731 -16.101 -21.232 1.00 0.00 C +ATOM 2360 N LEU A 297 2.662 -15.743 -17.452 1.00100.00 N +ATOM 2361 CA LEU A 297 3.264 -15.866 -16.128 1.00100.00 C +ATOM 2362 C LEU A 297 4.072 -14.620 -15.781 1.00100.00 C +ATOM 2363 CB LEU A 297 4.159 -17.105 -16.059 1.00100.00 C +ATOM 2364 O LEU A 297 3.939 -14.075 -14.683 1.00100.00 O +ATOM 2365 CG LEU A 297 4.835 -17.380 -14.714 1.00100.00 C +ATOM 2366 CD1 LEU A 297 3.789 -17.697 -13.651 1.00100.00 C +ATOM 2367 CD2 LEU A 297 5.838 -18.521 -14.843 1.00100.00 C +ATOM 2368 N THR A 298 4.843 -14.087 -16.702 1.00 0.03 N +ATOM 2369 CA THR A 298 5.656 -12.892 -16.510 1.00 0.03 C +ATOM 2370 C THR A 298 4.772 -11.664 -16.306 1.00 0.03 C +ATOM 2371 CB THR A 298 6.597 -12.657 -17.705 1.00 0.03 C +ATOM 2372 O THR A 298 5.096 -10.785 -15.505 1.00 0.03 O +ATOM 2373 CG2 THR A 298 7.618 -11.567 -17.396 1.00 0.03 C +ATOM 2374 OG1 THR A 298 7.291 -13.874 -18.006 1.00 0.03 O +ATOM 2375 N ALA A 299 3.579 -11.696 -16.933 1.00 0.00 N +ATOM 2376 CA ALA A 299 2.624 -10.596 -16.832 1.00 0.00 C +ATOM 2377 C ALA A 299 1.891 -10.627 -15.493 1.00 0.00 C +ATOM 2378 CB ALA A 299 1.623 -10.651 -17.983 1.00 0.00 C +ATOM 2379 O ALA A 299 1.546 -9.578 -14.943 1.00 0.00 O +ATOM 2380 N SER A 300 1.764 -11.813 -14.897 1.00 0.67 N +ATOM 2381 CA SER A 300 1.021 -11.981 -13.652 1.00 0.67 C +ATOM 2382 C SER A 300 1.928 -11.803 -12.439 1.00 0.67 C +ATOM 2383 CB SER A 300 0.357 -13.357 -13.605 1.00 0.67 C +ATOM 2384 O SER A 300 1.482 -11.342 -11.386 1.00 0.67 O +ATOM 2385 OG SER A 300 -0.497 -13.542 -14.721 1.00 0.67 O +ATOM 2386 N LEU A 301 3.228 -12.116 -12.535 1.00 0.00 N +ATOM 2387 CA LEU A 301 4.170 -12.162 -11.421 1.00 0.00 C +ATOM 2388 C LEU A 301 4.248 -10.811 -10.719 1.00 0.00 C +ATOM 2389 CB LEU A 301 5.560 -12.577 -11.912 1.00 0.00 C +ATOM 2390 O LEU A 301 4.145 -10.737 -9.493 1.00 0.00 O +ATOM 2391 CG LEU A 301 6.634 -12.752 -10.837 1.00 0.00 C +ATOM 2392 CD1 LEU A 301 6.257 -13.888 -9.892 1.00 0.00 C +ATOM 2393 CD2 LEU A 301 7.994 -13.010 -11.476 1.00 0.00 C +ATOM 2394 N PRO A 302 4.276 -9.642 -11.378 1.00 0.00 N +ATOM 2395 CA PRO A 302 4.284 -8.333 -10.719 1.00 0.00 C +ATOM 2396 C PRO A 302 3.020 -8.075 -9.903 1.00 0.00 C +ATOM 2397 CB PRO A 302 4.389 -7.351 -11.888 1.00 0.00 C +ATOM 2398 O PRO A 302 3.092 -7.506 -8.811 1.00 0.00 O +ATOM 2399 CG PRO A 302 5.097 -8.110 -12.963 1.00 0.00 C +ATOM 2400 CD PRO A 302 4.610 -9.531 -12.944 1.00 0.00 C +ATOM 2401 N ALA A 303 1.857 -8.536 -10.357 1.00 6.95 N +ATOM 2402 CA ALA A 303 0.599 -8.412 -9.625 1.00 6.95 C +ATOM 2403 C ALA A 303 0.620 -9.251 -8.351 1.00 6.95 C +ATOM 2404 CB ALA A 303 -0.575 -8.825 -10.510 1.00 6.95 C +ATOM 2405 O ALA A 303 0.173 -8.798 -7.294 1.00 6.95 O +ATOM 2406 N TYR A 304 1.314 -10.393 -8.393 1.00 0.22 N +ATOM 2407 CA TYR A 304 1.468 -11.254 -7.226 1.00 0.22 C +ATOM 2408 C TYR A 304 2.411 -10.627 -6.206 1.00 0.22 C +ATOM 2409 CB TYR A 304 1.990 -12.633 -7.640 1.00 0.22 C +ATOM 2410 O TYR A 304 2.161 -10.688 -5.000 1.00 0.22 O +ATOM 2411 CG TYR A 304 0.991 -13.450 -8.423 1.00 0.22 C +ATOM 2412 CD1 TYR A 304 -0.280 -13.706 -7.916 1.00 0.22 C +ATOM 2413 CD2 TYR A 304 1.317 -13.968 -9.672 1.00 0.22 C +ATOM 2414 CE1 TYR A 304 -1.203 -14.459 -8.633 1.00 0.22 C +ATOM 2415 CE2 TYR A 304 0.402 -14.722 -10.399 1.00 0.22 C +ATOM 2416 OH TYR A 304 -1.763 -15.709 -10.587 1.00 0.22 O +ATOM 2417 CZ TYR A 304 -0.853 -14.962 -9.872 1.00 0.22 C +ATOM 2418 N PHE A 305 3.458 -9.924 -6.652 1.00 0.00 N +ATOM 2419 CA PHE A 305 4.374 -9.202 -5.777 1.00 0.00 C +ATOM 2420 C PHE A 305 3.687 -7.994 -5.151 1.00 0.00 C +ATOM 2421 CB PHE A 305 5.619 -8.756 -6.550 1.00 0.00 C +ATOM 2422 O PHE A 305 3.764 -7.789 -3.938 1.00 0.00 O +ATOM 2423 CG PHE A 305 6.647 -9.841 -6.725 1.00 0.00 C +ATOM 2424 CD1 PHE A 305 7.368 -10.317 -5.636 1.00 0.00 C +ATOM 2425 CD2 PHE A 305 6.892 -10.386 -7.978 1.00 0.00 C +ATOM 2426 CE1 PHE A 305 8.320 -11.321 -5.795 1.00 0.00 C +ATOM 2427 CE2 PHE A 305 7.841 -11.391 -8.145 1.00 0.00 C +ATOM 2428 CZ PHE A 305 8.555 -11.856 -7.052 1.00 0.00 C +ATOM 2429 N ALA A 306 2.905 -7.249 -5.917 1.00 0.00 N +ATOM 2430 CA ALA A 306 2.152 -6.099 -5.426 1.00 0.00 C +ATOM 2431 C ALA A 306 1.133 -6.520 -4.371 1.00 0.00 C +ATOM 2432 CB ALA A 306 1.453 -5.387 -6.581 1.00 0.00 C +ATOM 2433 O ALA A 306 1.040 -5.903 -3.307 1.00 0.00 O +ATOM 2434 N LYS A 307 0.547 -7.684 -4.500 1.00 0.00 N +ATOM 2435 CA LYS A 307 -0.396 -8.225 -3.525 1.00 0.00 C +ATOM 2436 C LYS A 307 0.319 -8.651 -2.246 1.00 0.00 C +ATOM 2437 CB LYS A 307 -1.161 -9.409 -4.118 1.00 0.00 C +ATOM 2438 O LYS A 307 -0.255 -8.589 -1.157 1.00 0.00 O +ATOM 2439 CG LYS A 307 -2.184 -9.019 -5.174 1.00 0.00 C +ATOM 2440 CD LYS A 307 -2.907 -10.239 -5.730 1.00 0.00 C +ATOM 2441 CE LYS A 307 -3.986 -9.844 -6.729 1.00 0.00 C +ATOM 2442 NZ LYS A 307 -4.751 -11.031 -7.216 1.00 0.00 N +ATOM 2443 N GLY A 308 1.564 -9.083 -2.321 1.00 0.22 N +ATOM 2444 CA GLY A 308 2.408 -9.318 -1.160 1.00 0.22 C +ATOM 2445 C GLY A 308 2.559 -8.096 -0.274 1.00 0.22 C +ATOM 2446 O GLY A 308 2.734 -8.220 0.940 1.00 0.22 O +ATOM 2447 N ALA A 309 2.374 -6.895 -0.819 1.00 0.00 N +ATOM 2448 CA ALA A 309 2.453 -5.639 -0.077 1.00 0.00 C +ATOM 2449 C ALA A 309 1.384 -5.576 1.010 1.00 0.00 C +ATOM 2450 CB ALA A 309 2.313 -4.452 -1.026 1.00 0.00 C +ATOM 2451 O ALA A 309 1.652 -5.127 2.127 1.00 0.00 O +ATOM 2452 N THR A 310 0.188 -6.143 0.785 1.00 0.76 N +ATOM 2453 CA THR A 310 -0.947 -6.112 1.701 1.00 0.76 C +ATOM 2454 C THR A 310 -0.642 -6.908 2.967 1.00 0.76 C +ATOM 2455 CB THR A 310 -2.218 -6.669 1.034 1.00 0.76 C +ATOM 2456 O THR A 310 -1.233 -6.660 4.020 1.00 0.76 O +ATOM 2457 CG2 THR A 310 -2.545 -5.910 -0.247 1.00 0.76 C +ATOM 2458 OG1 THR A 310 -2.018 -8.053 0.719 1.00 0.76 O +ATOM 2459 N ILE A 311 0.369 -7.832 2.942 1.00 0.00 N +ATOM 2460 CA ILE A 311 0.850 -8.594 4.089 1.00 0.00 C +ATOM 2461 C ILE A 311 1.958 -7.817 4.797 1.00 0.00 C +ATOM 2462 CB ILE A 311 1.360 -9.990 3.667 1.00 0.00 C +ATOM 2463 O ILE A 311 1.988 -7.747 6.028 1.00 0.00 O +ATOM 2464 CG1 ILE A 311 0.256 -10.764 2.938 1.00 0.00 C +ATOM 2465 CG2 ILE A 311 1.864 -10.772 4.884 1.00 0.00 C +ATOM 2466 CD1 ILE A 311 0.736 -12.044 2.268 1.00 0.00 C +ATOM 2467 N TYR A 312 2.859 -7.174 4.089 1.00 0.00 N +ATOM 2468 CA TYR A 312 4.072 -6.567 4.625 1.00 0.00 C +ATOM 2469 C TYR A 312 3.765 -5.230 5.289 1.00 0.00 C +ATOM 2470 CB TYR A 312 5.112 -6.374 3.518 1.00 0.00 C +ATOM 2471 O TYR A 312 4.402 -4.860 6.278 1.00 0.00 O +ATOM 2472 CG TYR A 312 5.612 -7.668 2.922 1.00 0.00 C +ATOM 2473 CD1 TYR A 312 6.275 -8.608 3.707 1.00 0.00 C +ATOM 2474 CD2 TYR A 312 5.423 -7.952 1.574 1.00 0.00 C +ATOM 2475 CE1 TYR A 312 6.739 -9.801 3.162 1.00 0.00 C +ATOM 2476 CE2 TYR A 312 5.883 -9.141 1.018 1.00 0.00 C +ATOM 2477 OH TYR A 312 6.996 -11.237 1.274 1.00 0.00 O +ATOM 2478 CZ TYR A 312 6.538 -10.058 1.819 1.00 0.00 C +ATOM 2479 N ASN A 313 2.821 -4.519 4.743 1.00 0.00 N +ATOM 2480 CA ASN A 313 2.503 -3.195 5.267 1.00 0.00 C +ATOM 2481 C ASN A 313 2.155 -3.249 6.752 1.00 0.00 C +ATOM 2482 CB ASN A 313 1.354 -2.566 4.475 1.00 0.00 C +ATOM 2483 O ASN A 313 2.823 -2.619 7.574 1.00 0.00 O +ATOM 2484 CG ASN A 313 1.783 -2.097 3.099 1.00 0.00 C +ATOM 2485 ND2 ASN A 313 0.818 -1.939 2.200 1.00 0.00 N +ATOM 2486 OD1 ASN A 313 2.970 -1.878 2.846 1.00 0.00 O +ATOM 2487 N PRO A 314 1.211 -4.083 7.256 1.00 0.00 N +ATOM 2488 CA PRO A 314 0.912 -4.181 8.686 1.00 0.00 C +ATOM 2489 C PRO A 314 2.062 -4.783 9.490 1.00 0.00 C +ATOM 2490 CB PRO A 314 -0.318 -5.093 8.727 1.00 0.00 C +ATOM 2491 O PRO A 314 2.322 -4.356 10.618 1.00 0.00 O +ATOM 2492 CG PRO A 314 -0.306 -5.809 7.415 1.00 0.00 C +ATOM 2493 CD PRO A 314 0.363 -4.931 6.398 1.00 0.00 C +ATOM 2494 N ILE A 315 2.807 -5.772 8.922 1.00 0.02 N +ATOM 2495 CA ILE A 315 3.938 -6.398 9.598 1.00 0.02 C +ATOM 2496 C ILE A 315 5.024 -5.357 9.860 1.00 0.02 C +ATOM 2497 CB ILE A 315 4.509 -7.573 8.774 1.00 0.02 C +ATOM 2498 O ILE A 315 5.496 -5.214 10.990 1.00 0.02 O +ATOM 2499 CG1 ILE A 315 3.506 -8.731 8.727 1.00 0.02 C +ATOM 2500 CG2 ILE A 315 5.852 -8.034 9.349 1.00 0.02 C +ATOM 2501 CD1 ILE A 315 3.901 -9.855 7.779 1.00 0.02 C +ATOM 2502 N ILE A 316 5.390 -4.568 8.882 1.00 0.00 N +ATOM 2503 CA ILE A 316 6.376 -3.500 9.005 1.00 0.00 C +ATOM 2504 C ILE A 316 5.914 -2.489 10.052 1.00 0.00 C +ATOM 2505 CB ILE A 316 6.619 -2.796 7.651 1.00 0.00 C +ATOM 2506 O ILE A 316 6.675 -2.125 10.952 1.00 0.00 O +ATOM 2507 CG1 ILE A 316 7.377 -3.725 6.696 1.00 0.00 C +ATOM 2508 CG2 ILE A 316 7.378 -1.482 7.854 1.00 0.00 C +ATOM 2509 CD1 ILE A 316 7.401 -3.242 5.252 1.00 0.00 C +ATOM 2510 N TYR A 317 4.704 -2.157 10.050 1.00 0.00 N +ATOM 2511 CA TYR A 317 4.172 -1.173 10.985 1.00 0.00 C +ATOM 2512 C TYR A 317 4.200 -1.705 12.412 1.00 0.00 C +ATOM 2513 CB TYR A 317 2.741 -0.784 10.601 1.00 0.00 C +ATOM 2514 O TYR A 317 4.604 -0.998 13.338 1.00 0.00 O +ATOM 2515 CG TYR A 317 2.120 0.237 11.523 1.00 0.00 C +ATOM 2516 CD1 TYR A 317 2.377 1.596 11.363 1.00 0.00 C +ATOM 2517 CD2 TYR A 317 1.278 -0.156 12.558 1.00 0.00 C +ATOM 2518 CE1 TYR A 317 1.809 2.541 12.212 1.00 0.00 C +ATOM 2519 CE2 TYR A 317 0.704 0.779 13.413 1.00 0.00 C +ATOM 2520 OH TYR A 317 0.410 3.054 14.075 1.00 0.00 O +ATOM 2521 CZ TYR A 317 0.975 2.123 13.232 1.00 0.00 C +ATOM 2522 N VAL A 318 3.807 -2.963 12.680 1.00 0.33 N +ATOM 2523 CA VAL A 318 3.870 -3.615 13.983 1.00 0.33 C +ATOM 2524 C VAL A 318 5.314 -3.644 14.478 1.00 0.33 C +ATOM 2525 CB VAL A 318 3.296 -5.049 13.929 1.00 0.33 C +ATOM 2526 O VAL A 318 5.584 -3.340 15.643 1.00 0.33 O +ATOM 2527 CG1 VAL A 318 3.609 -5.805 15.219 1.00 0.33 C +ATOM 2528 CG2 VAL A 318 1.790 -5.011 13.679 1.00 0.33 C +ATOM 2529 N PHE A 319 6.280 -3.884 13.586 1.00 0.05 N +ATOM 2530 CA PHE A 319 7.683 -3.971 13.974 1.00 0.05 C +ATOM 2531 C PHE A 319 8.253 -2.586 14.259 1.00 0.05 C +ATOM 2532 CB PHE A 319 8.503 -4.662 12.880 1.00 0.05 C +ATOM 2533 O PHE A 319 9.049 -2.415 15.185 1.00 0.05 O +ATOM 2534 CG PHE A 319 8.475 -6.164 12.957 1.00 0.05 C +ATOM 2535 CD1 PHE A 319 9.041 -6.829 14.038 1.00 0.05 C +ATOM 2536 CD2 PHE A 319 7.882 -6.912 11.949 1.00 0.05 C +ATOM 2537 CE1 PHE A 319 9.017 -8.220 14.113 1.00 0.05 C +ATOM 2538 CE2 PHE A 319 7.853 -8.302 12.016 1.00 0.05 C +ATOM 2539 CZ PHE A 319 8.422 -8.954 13.098 1.00 0.05 C +ATOM 2540 N MET A 320 7.690 -1.586 13.618 1.00 0.02 N +ATOM 2541 CA MET A 320 8.243 -0.236 13.674 1.00 0.02 C +ATOM 2542 C MET A 320 7.590 0.574 14.790 1.00 0.02 C +ATOM 2543 CB MET A 320 8.058 0.478 12.334 1.00 0.02 C +ATOM 2544 O MET A 320 8.208 1.484 15.345 1.00 0.02 O +ATOM 2545 CG MET A 320 8.923 -0.082 11.216 1.00 0.02 C +ATOM 2546 SD MET A 320 8.752 0.864 9.653 1.00 0.02 S +ATOM 2547 CE MET A 320 9.715 2.345 10.069 1.00 0.02 C +ATOM 2548 N ASN A 321 6.393 0.326 15.140 1.00 0.00 N +ATOM 2549 CA ASN A 321 5.658 1.063 16.162 1.00 0.00 C +ATOM 2550 C ASN A 321 5.536 0.259 17.454 1.00 0.00 C +ATOM 2551 CB ASN A 321 4.272 1.456 15.648 1.00 0.00 C +ATOM 2552 O ASN A 321 4.674 -0.615 17.566 1.00 0.00 O +ATOM 2553 CG ASN A 321 3.536 2.379 16.600 1.00 0.00 C +ATOM 2554 ND2 ASN A 321 2.682 3.236 16.053 1.00 0.00 N +ATOM 2555 OD1 ASN A 321 3.735 2.323 17.816 1.00 0.00 O +ATOM 2556 N ARG A 322 6.411 0.620 18.419 1.00 0.00 N +ATOM 2557 CA ARG A 322 6.489 -0.058 19.709 1.00 0.00 C +ATOM 2558 C ARG A 322 5.134 -0.063 20.407 1.00 0.00 C +ATOM 2559 CB ARG A 322 7.537 0.607 20.603 1.00 0.00 C +ATOM 2560 O ARG A 322 4.742 -1.067 21.007 1.00 0.00 O +ATOM 2561 CG ARG A 322 7.722 -0.077 21.948 1.00 0.00 C +ATOM 2562 CD ARG A 322 8.826 0.578 22.767 1.00 0.00 C +ATOM 2563 NE ARG A 322 8.981 -0.060 24.071 1.00 0.00 N +ATOM 2564 NH1 ARG A 322 10.607 1.398 24.823 1.00 0.00 N +ATOM 2565 NH2 ARG A 322 9.882 -0.310 26.169 1.00 0.00 N +ATOM 2566 CZ ARG A 322 9.823 0.344 25.018 1.00 0.00 C +ATOM 2567 N GLN A 323 4.410 1.039 20.368 1.00 0.00 N +ATOM 2568 CA GLN A 323 3.089 1.127 20.981 1.00 0.00 C +ATOM 2569 C GLN A 323 2.123 0.126 20.353 1.00 0.00 C +ATOM 2570 CB GLN A 323 2.532 2.545 20.856 1.00 0.00 C +ATOM 2571 O GLN A 323 1.444 -0.619 21.062 1.00 0.00 O +ATOM 2572 CG GLN A 323 3.297 3.581 21.668 1.00 0.00 C +ATOM 2573 CD GLN A 323 2.723 4.979 21.526 1.00 0.00 C +ATOM 2574 NE2 GLN A 323 3.112 5.873 22.428 1.00 0.00 N +ATOM 2575 OE1 GLN A 323 1.938 5.252 20.613 1.00 0.00 O +ATOM 2576 N PHE A 324 2.115 0.069 19.067 1.00 0.00 N +ATOM 2577 CA PHE A 324 1.257 -0.848 18.327 1.00 0.00 C +ATOM 2578 C PHE A 324 1.651 -2.295 18.597 1.00 0.00 C +ATOM 2579 CB PHE A 324 1.326 -0.556 16.824 1.00 0.00 C +ATOM 2580 O PHE A 324 0.802 -3.122 18.935 1.00 0.00 O +ATOM 2581 CG PHE A 324 0.118 -1.026 16.059 1.00 0.00 C +ATOM 2582 CD1 PHE A 324 0.025 -2.341 15.620 1.00 0.00 C +ATOM 2583 CD2 PHE A 324 -0.924 -0.153 15.779 1.00 0.00 C +ATOM 2584 CE1 PHE A 324 -1.092 -2.779 14.911 1.00 0.00 C +ATOM 2585 CE2 PHE A 324 -2.043 -0.583 15.071 1.00 0.00 C +ATOM 2586 CZ PHE A 324 -2.124 -1.896 14.637 1.00 0.00 C +ATOM 2587 N ARG A 325 2.917 -2.633 18.566 1.00 0.00 N +ATOM 2588 CA ARG A 325 3.447 -3.943 18.930 1.00 0.00 C +ATOM 2589 C ARG A 325 3.004 -4.342 20.334 1.00 0.00 C +ATOM 2590 CB ARG A 325 4.974 -3.949 18.841 1.00 0.00 C +ATOM 2591 O ARG A 325 2.523 -5.457 20.545 1.00 0.00 O +ATOM 2592 CG ARG A 325 5.603 -5.304 19.126 1.00 0.00 C +ATOM 2593 CD ARG A 325 7.117 -5.268 18.971 1.00 0.00 C +ATOM 2594 NE ARG A 325 7.739 -4.394 19.962 1.00 0.00 N +ATOM 2595 NH1 ARG A 325 9.509 -3.779 18.611 1.00 0.00 N +ATOM 2596 NH2 ARG A 325 9.340 -2.942 20.738 1.00 0.00 N +ATOM 2597 CZ ARG A 325 8.861 -3.707 19.768 1.00 0.00 C +ATOM 2598 N ASN A 326 3.111 -3.435 21.318 1.00 0.05 N +ATOM 2599 CA ASN A 326 2.681 -3.689 22.689 1.00 0.05 C +ATOM 2600 C ASN A 326 1.181 -3.961 22.764 1.00 0.05 C +ATOM 2601 CB ASN A 326 3.053 -2.513 23.595 1.00 0.05 C +ATOM 2602 O ASN A 326 0.749 -4.891 23.448 1.00 0.05 O +ATOM 2603 CG ASN A 326 4.545 -2.413 23.840 1.00 0.05 C +ATOM 2604 ND2 ASN A 326 4.958 -1.392 24.581 1.00 0.05 N +ATOM 2605 OD1 ASN A 326 5.321 -3.247 23.366 1.00 0.05 O +ATOM 2606 N CYS A 327 0.348 -3.280 22.001 1.00 0.00 N +ATOM 2607 CA CYS A 327 -1.092 -3.500 21.938 1.00 0.00 C +ATOM 2608 C CYS A 327 -1.410 -4.850 21.306 1.00 0.00 C +ATOM 2609 CB CYS A 327 -1.771 -2.383 21.146 1.00 0.00 C +ATOM 2610 O CYS A 327 -2.274 -5.581 21.794 1.00 0.00 O +ATOM 2611 SG CYS A 327 -1.788 -0.792 22.000 1.00 0.00 S +ATOM 2612 N ILE A 328 -0.667 -5.300 20.315 1.00 0.00 N +ATOM 2613 CA ILE A 328 -0.839 -6.609 19.694 1.00 0.00 C +ATOM 2614 C ILE A 328 -0.428 -7.704 20.675 1.00 0.00 C +ATOM 2615 CB ILE A 328 -0.022 -6.726 18.387 1.00 0.00 C +ATOM 2616 O ILE A 328 -1.161 -8.676 20.872 1.00 0.00 O +ATOM 2617 CG1 ILE A 328 -0.657 -5.873 17.282 1.00 0.00 C +ATOM 2618 CG2 ILE A 328 0.093 -8.189 17.952 1.00 0.00 C +ATOM 2619 CD1 ILE A 328 0.135 -5.855 15.982 1.00 0.00 C +ATOM 2620 N LEU A 329 0.668 -7.555 21.402 1.00 0.17 N +ATOM 2621 CA LEU A 329 1.096 -8.513 22.416 1.00 0.17 C +ATOM 2622 C LEU A 329 0.065 -8.615 23.535 1.00 0.17 C +ATOM 2623 CB LEU A 329 2.456 -8.110 22.994 1.00 0.17 C +ATOM 2624 O LEU A 329 -0.270 -9.717 23.977 1.00 0.17 O +ATOM 2625 CG LEU A 329 3.665 -8.304 22.078 1.00 0.17 C +ATOM 2626 CD1 LEU A 329 4.911 -7.689 22.708 1.00 0.17 C +ATOM 2627 CD2 LEU A 329 3.883 -9.784 21.785 1.00 0.17 C +ATOM 2628 N GLN A 330 -0.593 -7.518 23.942 1.00 0.71 N +ATOM 2629 CA GLN A 330 -1.657 -7.485 24.940 1.00 0.71 C +ATOM 2630 C GLN A 330 -2.910 -8.192 24.432 1.00 0.71 C +ATOM 2631 CB GLN A 330 -1.988 -6.042 25.325 1.00 0.71 C +ATOM 2632 O GLN A 330 -3.626 -8.831 25.206 1.00 0.71 O +ATOM 2633 CG GLN A 330 -0.948 -5.393 26.227 1.00 0.71 C +ATOM 2634 CD GLN A 330 -1.262 -3.940 26.534 1.00 0.71 C +ATOM 2635 NE2 GLN A 330 -0.360 -3.277 27.249 1.00 0.71 N +ATOM 2636 OE1 GLN A 330 -2.307 -3.419 26.131 1.00 0.71 O +ATOM 2637 N LEU A 331 -3.202 -8.161 23.162 1.00 0.00 N +ATOM 2638 CA LEU A 331 -4.308 -8.912 22.576 1.00 0.00 C +ATOM 2639 C LEU A 331 -4.084 -10.413 22.723 1.00 0.00 C +ATOM 2640 CB LEU A 331 -4.475 -8.551 21.098 1.00 0.00 C +ATOM 2641 O LEU A 331 -5.039 -11.171 22.911 1.00 0.00 O +ATOM 2642 CG LEU A 331 -5.048 -7.165 20.798 1.00 0.00 C +ATOM 2643 CD1 LEU A 331 -5.026 -6.895 19.297 1.00 0.00 C +ATOM 2644 CD2 LEU A 331 -6.465 -7.041 21.348 1.00 0.00 C +ATOM 2645 N PHE A 332 -2.896 -10.911 22.749 1.00 0.00 N +ATOM 2646 CA PHE A 332 -2.533 -12.317 22.885 1.00 0.00 C +ATOM 2647 C PHE A 332 -2.285 -12.674 24.346 1.00 0.00 C +ATOM 2648 CB PHE A 332 -1.290 -12.636 22.048 1.00 0.00 C +ATOM 2649 O PHE A 332 -1.636 -13.679 24.643 1.00 0.00 O +ATOM 2650 CG PHE A 332 -1.547 -12.661 20.565 1.00 0.00 C +ATOM 2651 CD1 PHE A 332 -2.344 -13.648 20.000 1.00 0.00 C +ATOM 2652 CD2 PHE A 332 -0.990 -11.695 19.737 1.00 0.00 C +ATOM 2653 CE1 PHE A 332 -2.583 -13.673 18.628 1.00 0.00 C +ATOM 2654 CE2 PHE A 332 -1.224 -11.714 18.365 1.00 0.00 C +ATOM 2655 CZ PHE A 332 -2.020 -12.704 17.812 1.00 0.00 C +ATOM 2656 N GLY A 333 -2.724 -11.789 25.248 1.00 0.00 N +ATOM 2657 CA GLY A 333 -2.665 -12.040 26.679 1.00 0.00 C +ATOM 2658 C GLY A 333 -1.264 -11.918 27.249 1.00 0.00 C +ATOM 2659 O GLY A 333 -1.029 -12.259 28.410 1.00 0.00 O +ATOM 2660 N LYS A 334 -0.298 -11.474 26.442 1.00 0.00 N +ATOM 2661 CA LYS A 334 1.035 -11.228 26.986 1.00 0.00 C +ATOM 2662 C LYS A 334 1.060 -9.955 27.826 1.00 0.00 C +ATOM 2663 CB LYS A 334 2.065 -11.133 25.859 1.00 0.00 C +ATOM 2664 O LYS A 334 0.702 -8.878 27.342 1.00 0.00 O +ATOM 2665 CG LYS A 334 2.265 -12.431 25.091 1.00 0.00 C +ATOM 2666 CD LYS A 334 3.424 -12.327 24.109 1.00 0.00 C +ATOM 2667 CE LYS A 334 3.657 -13.642 23.376 1.00 0.00 C +ATOM 2668 NZ LYS A 334 4.825 -13.560 22.449 1.00 0.00 N +ATOM 2669 N LYS A 335 1.457 -10.065 29.117 1.00 0.27 N +ATOM 2670 CA LYS A 335 1.804 -8.905 29.933 1.00 0.27 C +ATOM 2671 C LYS A 335 2.965 -8.128 29.320 1.00 0.27 C +ATOM 2672 CB LYS A 335 2.155 -9.336 31.357 1.00 0.27 C +ATOM 2673 O LYS A 335 4.079 -8.647 29.215 1.00 0.27 O +ATOM 2674 CG LYS A 335 0.981 -9.904 32.140 1.00 0.27 C +ATOM 2675 CD LYS A 335 1.363 -10.202 33.584 1.00 0.27 C +ATOM 2676 CE LYS A 335 0.183 -10.753 34.374 1.00 0.27 C +ATOM 2677 NZ LYS A 335 0.531 -10.970 35.810 1.00 0.27 N +ATOM 2678 N VAL A 336 2.612 -7.050 28.830 1.00 0.00 N +ATOM 2679 CA VAL A 336 3.625 -6.053 28.499 1.00 0.00 C +ATOM 2680 C VAL A 336 4.013 -5.273 29.754 1.00 0.00 C +ATOM 2681 CB VAL A 336 3.132 -5.085 27.401 1.00 0.00 C +ATOM 2682 O VAL A 336 3.173 -4.603 30.359 1.00 0.00 O +ATOM 2683 CG1 VAL A 336 4.237 -4.107 27.007 1.00 0.00 C +ATOM 2684 CG2 VAL A 336 2.645 -5.866 26.182 1.00 0.00 C +ATOM 2685 N GLU A 337 5.273 -5.485 30.174 1.00 0.02 N +ATOM 2686 CA GLU A 337 5.818 -4.538 31.142 1.00 0.02 C +ATOM 2687 C GLU A 337 5.810 -3.116 30.587 1.00 0.02 C +ATOM 2688 CB GLU A 337 7.241 -4.937 31.543 1.00 0.02 C +ATOM 2689 O GLU A 337 6.546 -2.806 29.647 1.00 0.02 O +ATOM 2690 CG GLU A 337 7.320 -6.259 32.293 1.00 0.02 C +ATOM 2691 CD GLU A 337 8.746 -6.715 32.555 1.00 0.02 C +ATOM 2692 OE1 GLU A 337 9.695 -6.026 32.116 1.00 0.02 O +ATOM 2693 OE2 GLU A 337 8.917 -7.772 33.203 1.00 0.02 O +ATOM 2694 N ASP A 338 4.739 -2.425 30.951 1.00 0.02 N +ATOM 2695 CA ASP A 338 4.763 -0.993 30.669 1.00 0.02 C +ATOM 2696 C ASP A 338 6.053 -0.355 31.178 1.00 0.02 C +ATOM 2697 CB ASP A 338 3.551 -0.302 31.296 1.00 0.02 C +ATOM 2698 O ASP A 338 6.133 0.056 32.338 1.00 0.02 O +ATOM 2699 CG ASP A 338 2.269 -0.525 30.513 1.00 0.02 C +ATOM 2700 OD1 ASP A 338 2.333 -0.703 29.277 1.00 0.02 O +ATOM 2701 OD2 ASP A 338 1.186 -0.519 31.136 1.00 0.02 O +ATOM 2702 N GLY A 339 7.064 -0.283 30.432 1.00 1.24 N +ATOM 2703 CA GLY A 339 8.342 0.357 30.699 1.00 1.24 C +ATOM 2704 C GLY A 339 8.219 1.845 30.967 1.00 1.24 C +ATOM 2705 O GLY A 339 9.134 2.614 30.664 1.00 1.24 O +ATOM 2706 N SER A 340 6.951 2.326 31.131 1.00 0.00 N +ATOM 2707 CA SER A 340 6.628 3.716 31.439 1.00 0.00 C +ATOM 2708 C SER A 340 7.028 4.073 32.867 1.00 0.00 C +ATOM 2709 CB SER A 340 5.135 3.977 31.239 1.00 0.00 C +ATOM 2710 O SER A 340 6.931 5.233 33.273 1.00 0.00 O +ATOM 2711 OG SER A 340 4.361 2.936 31.811 1.00 0.00 O +ATOM 2712 N GLU A 341 7.671 3.128 33.646 1.00 0.48 N +ATOM 2713 CA GLU A 341 8.073 3.422 35.019 1.00 0.48 C +ATOM 2714 C GLU A 341 9.389 4.194 35.055 1.00 0.48 C +ATOM 2715 CB GLU A 341 8.197 2.131 35.831 1.00 0.48 C +ATOM 2716 O GLU A 341 9.727 4.807 36.070 1.00 0.48 O +ATOM 2717 CG GLU A 341 6.995 1.845 36.719 1.00 0.48 C +ATOM 2718 CD GLU A 341 7.185 0.629 37.612 1.00 0.48 C +ATOM 2719 OE1 GLU A 341 8.168 -0.121 37.416 1.00 0.48 O +ATOM 2720 OE2 GLU A 341 6.343 0.424 38.515 1.00 0.48 O +ATOM 2721 N ILE A 342 9.919 4.560 33.918 1.00 0.07 N +ATOM 2722 CA ILE A 342 11.268 5.114 33.938 1.00 0.07 C +ATOM 2723 C ILE A 342 11.200 6.640 33.932 1.00 0.07 C +ATOM 2724 CB ILE A 342 12.105 4.610 32.741 1.00 0.07 C +ATOM 2725 O ILE A 342 12.194 7.313 34.211 1.00 0.07 O +ATOM 2726 CG1 ILE A 342 12.311 3.094 32.834 1.00 0.07 C +ATOM 2727 CG2 ILE A 342 13.448 5.343 32.674 1.00 0.07 C +ATOM 2728 CD1 ILE A 342 13.004 2.488 31.621 1.00 0.07 C +ATOM 2729 N THR A 343 9.941 7.242 33.929 1.00 0.00 N +ATOM 2730 CA THR A 343 9.978 8.690 33.756 1.00 0.00 C +ATOM 2731 C THR A 343 9.419 9.397 34.988 1.00 0.00 C +ATOM 2732 CB THR A 343 9.187 9.124 32.508 1.00 0.00 C +ATOM 2733 O THR A 343 9.428 10.627 35.062 1.00 0.00 O +ATOM 2734 CG2 THR A 343 10.120 9.399 31.333 1.00 0.00 C +ATOM 2735 OG1 THR A 343 8.272 8.084 32.144 1.00 0.00 O +ATOM 2736 N SER A 344 9.092 8.657 36.050 1.00 0.01 N +ATOM 2737 CA SER A 344 8.388 9.374 37.108 1.00 0.01 C +ATOM 2738 C SER A 344 9.268 9.543 38.342 1.00 0.01 C +ATOM 2739 CB SER A 344 7.099 8.643 37.486 1.00 0.01 C +ATOM 2740 O SER A 344 8.884 10.222 39.296 1.00 0.01 O +ATOM 2741 OG SER A 344 6.601 7.901 36.387 1.00 0.01 O +ATOM 2742 N SER A 345 10.540 9.136 38.324 1.00 0.02 N +ATOM 2743 CA SER A 345 11.259 9.158 39.593 1.00 0.02 C +ATOM 2744 C SER A 345 12.336 10.238 39.600 1.00 0.02 C +ATOM 2745 CB SER A 345 11.891 7.794 39.875 1.00 0.02 C +ATOM 2746 O SER A 345 13.019 10.434 40.608 1.00 0.02 O +ATOM 2747 OG SER A 345 12.030 7.047 38.679 1.00 0.02 O +ATOM 2748 N SER A 346 12.385 11.117 38.519 1.00 0.69 N +ATOM 2749 CA SER A 346 13.516 12.037 38.576 1.00 0.69 C +ATOM 2750 C SER A 346 13.048 13.485 38.668 1.00 0.69 C +ATOM 2751 CB SER A 346 14.414 11.859 37.351 1.00 0.69 C +ATOM 2752 O SER A 346 13.862 14.410 38.625 1.00 0.69 O +ATOM 2753 OG SER A 346 13.654 11.929 36.157 1.00 0.69 O +ATOM 2754 N THR A 347 11.697 13.803 38.821 1.00 0.00 N +ATOM 2755 CA THR A 347 11.281 15.201 38.858 1.00 0.00 C +ATOM 2756 C THR A 347 10.914 15.619 40.279 1.00 0.00 C +ATOM 2757 CB THR A 347 10.086 15.452 37.921 1.00 0.00 C +ATOM 2758 O THR A 347 10.487 16.753 40.507 1.00 0.00 O +ATOM 2759 CG2 THR A 347 10.197 16.813 37.240 1.00 0.00 C +ATOM 2760 OG1 THR A 347 10.049 14.430 36.917 1.00 0.00 O +ATOM 2761 N THR A 348 11.118 14.833 41.237 1.00 0.00 N +ATOM 2762 CA THR A 348 10.533 15.210 42.519 1.00 0.00 C +ATOM 2763 C THR A 348 11.596 15.789 43.449 1.00 0.00 C +ATOM 2764 CB THR A 348 9.853 14.007 43.198 1.00 0.00 C +ATOM 2765 O THR A 348 11.272 16.347 44.500 1.00 0.00 O +ATOM 2766 CG2 THR A 348 8.973 14.456 44.360 1.00 0.00 C +ATOM 2767 OG1 THR A 348 9.042 13.319 42.237 1.00 0.00 O +ATOM 2768 N GLU A 349 12.803 16.179 42.932 1.00 0.00 N +ATOM 2769 CA GLU A 349 13.661 16.676 44.003 1.00 0.00 C +ATOM 2770 C GLU A 349 14.272 18.026 43.641 1.00 0.00 C +ATOM 2771 CB GLU A 349 14.767 15.665 44.318 1.00 0.00 C +ATOM 2772 O GLU A 349 15.283 18.431 44.218 1.00 0.00 O +ATOM 2773 CG GLU A 349 14.471 14.785 45.523 1.00 0.00 C +ATOM 2774 CD GLU A 349 15.601 13.824 45.857 1.00 0.00 C +ATOM 2775 OE1 GLU A 349 16.451 13.558 44.977 1.00 0.00 O +ATOM 2776 OE2 GLU A 349 15.636 13.332 47.007 1.00 0.00 O +ATOM 2777 N VAL A 350 13.547 18.762 42.674 1.00 0.00 N +ATOM 2778 CA VAL A 350 14.008 20.142 42.565 1.00 0.00 C +ATOM 2779 C VAL A 350 13.018 21.074 43.259 1.00 0.00 C +ATOM 2780 CB VAL A 350 14.194 20.563 41.090 1.00 0.00 C +ATOM 2781 O VAL A 350 12.880 22.239 42.876 1.00 0.00 O +ATOM 2782 CG1 VAL A 350 14.721 21.995 41.000 1.00 0.00 C +ATOM 2783 CG2 VAL A 350 15.137 19.598 40.375 1.00 0.00 C +ATOM 2784 N SER A 351 12.418 20.642 44.336 1.00 0.00 N +ATOM 2785 CA SER A 351 11.548 21.543 45.084 1.00 0.00 C +ATOM 2786 C SER A 351 12.069 21.765 46.500 1.00 0.00 C +ATOM 2787 CB SER A 351 10.123 20.991 45.137 1.00 0.00 C +ATOM 2788 O SER A 351 11.936 20.892 47.361 1.00 0.00 O +ATOM 2789 OG SER A 351 9.222 21.970 45.625 1.00 0.00 O +ATOM 2790 N THR A 352 12.964 22.641 46.796 1.00 0.00 N +ATOM 2791 CA THR A 352 12.888 23.367 48.059 1.00 0.00 C +ATOM 2792 C THR A 352 14.280 23.775 48.534 1.00 0.00 C +ATOM 2793 CB THR A 352 12.198 22.524 49.147 1.00 0.00 C +ATOM 2794 O THR A 352 14.733 23.337 49.594 1.00 0.00 O +ATOM 2795 CG2 THR A 352 10.680 22.593 49.016 1.00 0.00 C +ATOM 2796 OG1 THR A 352 12.616 21.159 49.022 1.00 0.00 O +ATOM 2797 N ALA A 353 15.090 24.366 47.683 1.00 0.00 N +ATOM 2798 CA ALA A 353 16.196 25.114 48.274 1.00 0.00 C +ATOM 2799 C ALA A 353 16.182 26.569 47.813 1.00 0.00 C +ATOM 2800 CB ALA A 353 17.530 24.460 47.921 1.00 0.00 C +ATOM 2801 O ALA A 353 16.693 26.890 46.737 1.00 0.00 O +ATOM 2802 N SER A 354 15.219 27.368 48.304 1.00 0.01 N +ATOM 2803 CA SER A 354 15.319 28.776 48.678 1.00 0.01 C +ATOM 2804 C SER A 354 14.780 29.013 50.084 1.00 0.01 C +ATOM 2805 CB SER A 354 14.562 29.651 47.678 1.00 0.01 C +ATOM 2806 O SER A 354 13.749 28.453 50.463 1.00 0.01 O +ATOM 2807 OG SER A 354 13.245 29.166 47.480 1.00 0.01 O +TER 2808 SER A 354 +END diff --git a/examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/C_phantasticus_LWS2_individual_shap.svg b/examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/C_phantasticus_LWS2_individual_shap.svg new file mode 100644 index 00000000..466db538 --- /dev/null +++ b/examples/optics_shap_on_structure_map_ex_2026-03-10_13-19-02/C_phantasticus_LWS2_individual_shap.svg @@ -0,0 +1,2195 @@ + + + + + + + + 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