From 3c92fd59f08601c5b4bd17211f9735d34eb36dee Mon Sep 17 00:00:00 2001 From: "renovate[bot]" <29139614+renovate[bot]@users.noreply.github.com> Date: Wed, 28 Jan 2026 00:24:32 +0000 Subject: [PATCH 01/10] Add renovate.json --- renovate.json | 6 ++++++ 1 file changed, 6 insertions(+) create mode 100644 renovate.json diff --git a/renovate.json b/renovate.json new file mode 100644 index 0000000..5db72dd --- /dev/null +++ b/renovate.json @@ -0,0 +1,6 @@ +{ + "$schema": "https://docs.renovatebot.com/renovate-schema.json", + "extends": [ + "config:recommended" + ] +} From 80ecdd6b1866c55f942032a7c4845d34ba956844 Mon Sep 17 00:00:00 2001 From: Domagoj Fijan Date: Tue, 27 Jan 2026 19:27:25 -0500 Subject: [PATCH 02/10] remove dependabot --- .github/dependabot.yml | 36 ------------------------------------ 1 file changed, 36 deletions(-) delete mode 100644 .github/dependabot.yml diff --git a/.github/dependabot.yml b/.github/dependabot.yml deleted file mode 100644 index 7de46c1..0000000 --- a/.github/dependabot.yml +++ /dev/null @@ -1,36 +0,0 @@ -version: 2 -updates: -- package-ecosystem: "github-actions" - directory: "/" - schedule: - interval: "monthly" - open-pull-requests-limit: 10 - groups: - actions-version: - applies-to: version-updates - patterns: - - '*' - actions-security: - applies-to: security-updates - patterns: - - '*' -- package-ecosystem: "pip" - directory: "/" - schedule: - interval: "monthly" - open-pull-requests-limit: 10 - groups: - pip-version: - applies-to: version-updates - patterns: - - '*' - update-types: - - minor - - patch - pip-security: - applies-to: security-updates - patterns: - - '*' - update-types: - - minor - - patch \ No newline at end of file From f6685c96e895af83eed5e8dea66a2f2f4f08649e Mon Sep 17 00:00:00 2001 From: Domagoj Fijan Date: Tue, 27 Jan 2026 19:28:01 -0500 Subject: [PATCH 03/10] update precommit config --- .pre-commit-config.yaml | 3 --- .ruff.toml | 3 ++- 2 files changed, 2 insertions(+), 4 deletions(-) diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 64394a8..3f81f07 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -1,6 +1,3 @@ -ci: - autoupdate_schedule: quarterly - repos: - repo: https://github.com/pre-commit/pre-commit-hooks rev: 'v4.5.0' diff --git a/.ruff.toml b/.ruff.toml index bcd7241..23f62f2 100644 --- a/.ruff.toml +++ b/.ruff.toml @@ -1,4 +1,5 @@ -target-version = "py38" +target-version = "py39" +line-length = 90 [lint] select = [ From 058ed4804ffa5144464b3e35b83f2f084250946d Mon Sep 17 00:00:00 2001 From: Domagoj Fijan Date: Tue, 27 Jan 2026 19:29:00 -0500 Subject: [PATCH 04/10] lint and format --- WaterNetworkAnalysis/WaterNetworkAnalysis.py | 15 +- requirements/requirements-test.txt | 2 +- requirements/requirements.txt | 2 +- tests/data/3t74.pdb | 13608 ++++++++--------- tests/test_WaterNetworkAnalysis.py | 2 +- 5 files changed, 6814 insertions(+), 6815 deletions(-) mode change 100755 => 100644 tests/data/3t74.pdb diff --git a/WaterNetworkAnalysis/WaterNetworkAnalysis.py b/WaterNetworkAnalysis/WaterNetworkAnalysis.py index 11d5c47..4fdb095 100644 --- a/WaterNetworkAnalysis/WaterNetworkAnalysis.py +++ b/WaterNetworkAnalysis/WaterNetworkAnalysis.py @@ -786,8 +786,7 @@ def align_trajectory( raise Exception(exception_string) if align_target_file_name in {trajectory, topology}: exception_string = ( - "align_target_file_name name cannot be the same as " - "trajectory or topology" + "align_target_file_name name cannot be the same as " "trajectory or topology" ) raise Exception(exception_string) if topology is not None: @@ -1067,9 +1066,9 @@ def read_results_and_make_pdb( def is_pdb_file(filepath: str) -> bool: - """ - Return True if `filepath` is probably a PDB (by extension or by peeking at contents). - If it’s binary (like XTC/DCD), this will return False safely. + """Return True if `filepath` is probably a PDB. + + If it's binary (like XTC/DCD), this will return False safely. """ ext = os.path.splitext(filepath)[1].lower() if ext in {".pdb", ".ent", ".pdb1", ".pdb2"}: @@ -1077,13 +1076,13 @@ def is_pdb_file(filepath: str) -> bool: # If extension isn't a known PDB, peek at first few lines: try: - with open(filepath, "r", encoding="utf-8") as f: + with open(filepath, encoding="utf-8") as f: for _ in range(10): line = next(f) if line.startswith(("ATOM ", "HETATM", "HEADER", "TITLE")): return True - except (UnicodeDecodeError, IOError, StopIteration): - # If it fails to decode (binary), or can't open, it’s not a PDB. + except (UnicodeDecodeError, OSError, StopIteration): + # If it fails to decode (binary), or can't open, it's not a PDB. return False return False diff --git a/requirements/requirements-test.txt b/requirements/requirements-test.txt index ea69ab9..134ea4e 100644 --- a/requirements/requirements-test.txt +++ b/requirements/requirements-test.txt @@ -1,4 +1,4 @@ ConservedWaterSearch==0.4.1 MDAnalysis==2.7.0 numpy==1.26.4 -scipy==1.13.1 \ No newline at end of file +scipy==1.13.1 diff --git a/requirements/requirements.txt b/requirements/requirements.txt index 89b6be4..2337c39 100644 --- a/requirements/requirements.txt +++ b/requirements/requirements.txt @@ -1,4 +1,4 @@ ConservedWaterSearch>=0.1.0 MDAnalysis>=2.4.0 numpy>=1.22 -scipy>=1.0.0 \ No newline at end of file +scipy>=1.0.0 diff --git a/tests/data/3t74.pdb b/tests/data/3t74.pdb old mode 100755 new mode 100644 index a60d5f8..a23d54a --- a/tests/data/3t74.pdb +++ b/tests/data/3t74.pdb @@ -1,6804 +1,6804 @@ -HEADER HYDROLASE/HYDROLASE INHIBITOR 29-JUL-11 3T74 -TITLE THERMOLYSIN IN COMPLEX WITH UBTLN27 -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: THERMOLYSIN; -COMPND 3 CHAIN: A; -COMPND 4 FRAGMENT: MATURE FORM (UNP RESIDUES 233-548); -COMPND 5 SYNONYM: THERMOSTABLE NEUTRAL PROTEINASE; -COMPND 6 EC: 3.4.24.27 -SOURCE MOL_ID: 1; -SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; -SOURCE 3 ORGANISM_TAXID: 1427 -KEYWDS PROTEASE, METALLOPROTEASE, HYDROLYSIS OF PEPTIDE BONDS, -KEYWDS 2 PHOSPHORAMIDON, HYDROLASE-HYDROLASE INHIBITOR COMPLEX -EXPDTA X-RAY DIFFRACTION -AUTHOR A.BIELA,A.HEINE,G.KLEBE -REVDAT 3 13-SEP-23 3T74 1 REMARK -REVDAT 2 12-FEB-14 3T74 1 JRNL -REVDAT 1 01-AUG-12 3T74 0 -JRNL AUTH A.BIELA,M.BETZ,A.HEINE,G.KLEBE -JRNL TITL WATER MAKES THE DIFFERENCE: REARRANGEMENT OF WATER SOLVATION -JRNL TITL 2 LAYER TRIGGERS NON-ADDITIVITY OF FUNCTIONAL GROUP -JRNL TITL 3 CONTRIBUTIONS IN PROTEIN-LIGAND BINDING. -JRNL REF CHEMMEDCHEM V. 7 1423 2012 -JRNL REFN ISSN 1860-7179 -JRNL PMID 22733601 -JRNL DOI 10.1002/CMDC.201200206 -REMARK 2 -REMARK 2 RESOLUTION. 1.28 ANGSTROMS. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.7_650) -REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN -REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, -REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, -REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, -REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, -REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, -REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT -REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART -REMARK 3 -REMARK 3 REFINEMENT TARGET : ML -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.28 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 22.80 -REMARK 3 MIN(FOBS/SIGMA_FOBS) : 0.000 -REMARK 3 COMPLETENESS FOR RANGE (%) : 94.7 -REMARK 3 NUMBER OF REFLECTIONS : 80965 -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT. -REMARK 3 R VALUE (WORKING + TEST SET) : 0.107 -REMARK 3 R VALUE (WORKING SET) : 0.106 -REMARK 3 FREE R VALUE : 0.127 -REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.060 -REMARK 3 FREE R VALUE TEST SET COUNT : 4095 -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). -REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE -REMARK 3 1 22.8004 - 3.9261 0.99 3058 164 0.1469 0.1447 -REMARK 3 2 3.9261 - 3.1188 1.00 2918 146 0.1218 0.1394 -REMARK 3 3 3.1188 - 2.7253 0.99 2835 146 0.1143 0.1284 -REMARK 3 4 2.7253 - 2.4764 0.99 2842 145 0.1152 0.1543 -REMARK 3 5 2.4764 - 2.2991 0.98 2761 158 0.1088 0.1333 -REMARK 3 6 2.2991 - 2.1637 0.98 2739 172 0.0974 0.1164 -REMARK 3 7 2.1637 - 2.0554 0.98 2746 164 0.0915 0.1067 -REMARK 3 8 2.0554 - 1.9660 0.98 2745 149 0.0952 0.1146 -REMARK 3 9 1.9660 - 1.8903 0.97 2699 150 0.0896 0.1127 -REMARK 3 10 1.8903 - 1.8251 0.96 2730 146 0.0863 0.0964 -REMARK 3 11 1.8251 - 1.7681 0.97 2666 147 0.0822 0.1181 -REMARK 3 12 1.7681 - 1.7176 0.96 2659 151 0.0850 0.1099 -REMARK 3 13 1.7176 - 1.6724 0.96 2703 125 0.0865 0.1183 -REMARK 3 14 1.6724 - 1.6316 0.96 2683 106 0.0826 0.1167 -REMARK 3 15 1.6316 - 1.5945 0.95 2638 144 0.0785 0.1042 -REMARK 3 16 1.5945 - 1.5606 0.95 2604 135 0.0775 0.1128 -REMARK 3 17 1.5606 - 1.5294 0.94 2655 130 0.0785 0.1205 -REMARK 3 18 1.5294 - 1.5005 0.94 2567 139 0.0853 0.1232 -REMARK 3 19 1.5005 - 1.4737 0.94 2600 147 0.0840 0.1280 -REMARK 3 20 1.4737 - 1.4487 0.93 2550 141 0.0878 0.1014 -REMARK 3 21 1.4487 - 1.4254 0.92 2566 123 0.0898 0.1364 -REMARK 3 22 1.4254 - 1.4034 0.91 2532 117 0.0944 0.1405 -REMARK 3 23 1.4034 - 1.3828 0.92 2521 127 0.1016 0.1239 -REMARK 3 24 1.3828 - 1.3633 0.91 2533 128 0.0945 0.1243 -REMARK 3 25 1.3633 - 1.3449 0.90 2487 147 0.1069 0.1267 -REMARK 3 26 1.3449 - 1.3274 0.90 2490 132 0.1144 0.1300 -REMARK 3 27 1.3274 - 1.3108 0.91 2480 143 0.1207 0.1469 -REMARK 3 28 1.3108 - 1.2951 0.88 2436 128 0.1338 0.1768 -REMARK 3 29 1.2951 - 1.2800 0.89 2427 145 0.1402 0.1750 -REMARK 3 -REMARK 3 BULK SOLVENT MODELLING. -REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL -REMARK 3 SOLVENT RADIUS : 0.90 -REMARK 3 SHRINKAGE RADIUS : 0.77 -REMARK 3 K_SOL : 0.40 -REMARK 3 B_SOL : 53.67 -REMARK 3 -REMARK 3 ERROR ESTIMATES. -REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.100 -REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 9.630 -REMARK 3 -REMARK 3 B VALUES. -REMARK 3 FROM WILSON PLOT (A**2) : NULL -REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL -REMARK 3 OVERALL ANISOTROPIC B VALUE. -REMARK 3 B11 (A**2) : -2.44960 -REMARK 3 B22 (A**2) : -2.44960 -REMARK 3 B33 (A**2) : 4.89920 -REMARK 3 B12 (A**2) : 0.00000 -REMARK 3 B13 (A**2) : 0.00000 -REMARK 3 B23 (A**2) : 0.00000 -REMARK 3 -REMARK 3 TWINNING INFORMATION. -REMARK 3 FRACTION: NULL -REMARK 3 OPERATOR: NULL -REMARK 3 -REMARK 3 DEVIATIONS FROM IDEAL VALUES. -REMARK 3 RMSD COUNT -REMARK 3 BOND : 0.013 2690 -REMARK 3 ANGLE : 1.318 3727 -REMARK 3 CHIRALITY : 0.084 396 -REMARK 3 PLANARITY : 0.007 475 -REMARK 3 DIHEDRAL : 15.328 957 -REMARK 3 -REMARK 3 TLS DETAILS -REMARK 3 NUMBER OF TLS GROUPS : NULL -REMARK 3 -REMARK 3 NCS DETAILS -REMARK 3 NUMBER OF NCS GROUPS : NULL -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: NULL -REMARK 4 -REMARK 4 3T74 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 -REMARK 100 -REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-AUG-11. -REMARK 100 THE DEPOSITION ID IS D_1000067120. -REMARK 200 -REMARK 200 EXPERIMENTAL DETAILS -REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION -REMARK 200 DATE OF DATA COLLECTION : 25-JUN-10 -REMARK 200 TEMPERATURE (KELVIN) : 100 -REMARK 200 PH : 7.5 -REMARK 200 NUMBER OF CRYSTALS USED : 1 -REMARK 200 -REMARK 200 SYNCHROTRON (Y/N) : Y -REMARK 200 RADIATION SOURCE : BESSY -REMARK 200 BEAMLINE : 14.2 -REMARK 200 X-RAY GENERATOR MODEL : NULL -REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M -REMARK 200 WAVELENGTH OR RANGE (A) : 0.91841 -REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL -REMARK 200 OPTICS : COLLIMATING MIRROR -REMARK 200 -REMARK 200 DETECTOR TYPE : CCD -REMARK 200 DETECTOR MANUFACTURER : RAYONIX MX-225 -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 -REMARK 200 DATA SCALING SOFTWARE : HKL-2000 -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 83375 -REMARK 200 RESOLUTION RANGE HIGH (A) : 1.280 -REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : 97.3 -REMARK 200 DATA REDUNDANCY : 5.700 -REMARK 200 R MERGE (I) : NULL -REMARK 200 R SYM (I) : 0.05200 -REMARK 200 FOR THE DATA SET : 30.4000 -REMARK 200 -REMARK 200 IN THE HIGHEST RESOLUTION SHELL. -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.28 -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.30 -REMARK 200 COMPLETENESS FOR SHELL (%) : 95.4 -REMARK 200 DATA REDUNDANCY IN SHELL : 5.70 -REMARK 200 R MERGE FOR SHELL (I) : NULL -REMARK 200 R SYM FOR SHELL (I) : 0.32600 -REMARK 200 FOR SHELL : 5.300 -REMARK 200 -REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH -REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT -REMARK 200 SOFTWARE USED: PHASER -REMARK 200 STARTING MODEL: PDB ENTRY 8TLN -REMARK 200 -REMARK 200 REMARK: NULL -REMARK 280 -REMARK 280 CRYSTAL -REMARK 280 SOLVENT CONTENT, VS (%): 47.87 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.36 -REMARK 280 -REMARK 280 CRYSTALLIZATION CONDITIONS: 50 MM TRIS, 1.9 M CESIUM CHLORIDE, 50% -REMARK 280 DMSO, PH 7.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 291K -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY -REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 61 2 2 -REMARK 290 -REMARK 290 SYMOP SYMMETRY -REMARK 290 NNNMMM OPERATOR -REMARK 290 1555 X,Y,Z -REMARK 290 2555 -Y,X-Y,Z+1/3 -REMARK 290 3555 -X+Y,-X,Z+2/3 -REMARK 290 4555 -X,-Y,Z+1/2 -REMARK 290 5555 Y,-X+Y,Z+5/6 -REMARK 290 6555 X-Y,X,Z+1/6 -REMARK 290 7555 Y,X,-Z+1/3 -REMARK 290 8555 X-Y,-Y,-Z -REMARK 290 9555 -X,-X+Y,-Z+2/3 -REMARK 290 10555 -Y,-X,-Z+5/6 -REMARK 290 11555 -X+Y,Y,-Z+1/2 -REMARK 290 12555 X,X-Y,-Z+1/6 -REMARK 290 -REMARK 290 WHERE NNN -> OPERATOR NUMBER -REMARK 290 MMM -> TRANSLATION VECTOR -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS -REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM -REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY -REMARK 290 RELATED MOLECULES. -REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 -REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 -REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 43.66667 -REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 -REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 -REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 87.33333 -REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 65.50000 -REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 -REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 -REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 109.16667 -REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 -REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 -REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 21.83333 -REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 -REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 -REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 43.66667 -REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 -REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 -REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 -REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 87.33333 -REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 -REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 -REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 109.16667 -REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 65.50000 -REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 -REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 -REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 21.83333 -REMARK 290 -REMARK 290 REMARK: NULL -REMARK 300 -REMARK 300 BIOMOLECULE: 1 -REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM -REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN -REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON -REMARK 300 BURIED SURFACE AREA. -REMARK 350 -REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN -REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE -REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS -REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND -REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. -REMARK 350 -REMARK 350 BIOMOLECULE: 1 -REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC -REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC -REMARK 350 SOFTWARE USED: PISA -REMARK 350 APPLY THE FOLLOWING TO CHAINS: A -REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 375 -REMARK 375 SPECIAL POSITION -REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS -REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL -REMARK 375 POSITIONS. -REMARK 375 -REMARK 375 ATOM RES CSSEQI -REMARK 375 HOH A 572 LIES ON A SPECIAL POSITION. -REMARK 375 HOH A 573 LIES ON A SPECIAL POSITION. -REMARK 375 HOH A 601 LIES ON A SPECIAL POSITION. -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT -REMARK 500 -REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. -REMARK 500 -REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE -REMARK 500 O HOH A 504 O HOH A 754 2.16 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: CLOSE CONTACTS -REMARK 500 -REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC -REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 -REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A -REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 -REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE -REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. -REMARK 500 -REMARK 500 DISTANCE CUTOFF: -REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS -REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS -REMARK 500 -REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE -REMARK 500 O HOH A 667 O HOH A 817 12545 1.88 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: TORSION ANGLES -REMARK 500 -REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) -REMARK 500 -REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- -REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 -REMARK 500 -REMARK 500 M RES CSSEQI PSI PHI -REMARK 500 THR A 26 -59.04 69.86 -REMARK 500 SER A 92 -173.49 59.67 -REMARK 500 SER A 107 -160.51 60.72 -REMARK 500 THR A 152 -100.72 -118.80 -REMARK 500 ASN A 159 -145.10 54.50 -REMARK 500 THR A 194 75.76 42.33 -REMARK 500 ILE A 232 -61.31 -102.28 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 630 -REMARK 630 MOLECULE TYPE: PEPTIDE-LIKE INHIBITOR -REMARK 630 MOLECULE NAME: N-[(S)-({[(BENZYLOXY)CARBONYL]AMINO}METHYL)(HYDROXY) -REMARK 630 PHOSPHORYL]-L-LEUCYL-L-ALANINE -REMARK 630 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 630 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) -REMARK 630 -REMARK 630 M RES C SSSEQI -REMARK 630 UBY A 401 -REMARK 630 SOURCE: NULL -REMARK 630 TAXONOMY: NULL -REMARK 630 SUBCOMP: PHQ PGL LEU ALA -REMARK 630 DETAILS: NULL -REMARK 800 -REMARK 800 SITE -REMARK 800 SITE_IDENTIFIER: AC1 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE UBY A 401 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC2 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 402 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC3 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 403 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC4 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 404 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC5 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 405 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC6 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DMS A 406 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC7 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DMS A 407 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC8 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DMS A 408 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC9 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DMS A 409 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: BC1 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 410 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: BC2 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 411 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: BC3 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 412 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: BC4 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 413 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: BC5 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 414 -REMARK 900 -REMARK 900 RELATED ENTRIES -REMARK 900 RELATED ID: 3T73 RELATED DB: PDB -REMARK 900 RELATED ID: 3FVP RELATED DB: PDB -REMARK 900 RELATED ID: 3FV4 RELATED DB: PDB -REMARK 900 RELATED ID: 3FWD RELATED DB: PDB -REMARK 900 RELATED ID: 3FLF RELATED DB: PDB -REMARK 900 RELATED ID: 3T87 RELATED DB: PDB -REMARK 900 RELATED ID: 3T8C RELATED DB: PDB -REMARK 900 RELATED ID: 3T8D RELATED DB: PDB -REMARK 900 RELATED ID: 3T8F RELATED DB: PDB -REMARK 900 RELATED ID: 3T8G RELATED DB: PDB -REMARK 900 RELATED ID: 3T8H RELATED DB: PDB -DBREF 3T74 A 1 316 UNP P00800 THER_BACTH 233 548 -SEQRES 1 A 316 ILE THR GLY THR SER THR VAL GLY VAL GLY ARG GLY VAL -SEQRES 2 A 316 LEU GLY ASP GLN LYS ASN ILE ASN THR THR TYR SER THR -SEQRES 3 A 316 TYR TYR TYR LEU GLN ASP ASN THR ARG GLY ASN GLY ILE -SEQRES 4 A 316 PHE THR TYR ASP ALA LYS TYR ARG THR THR LEU PRO GLY -SEQRES 5 A 316 SER LEU TRP ALA ASP ALA ASP ASN GLN PHE PHE ALA SER -SEQRES 6 A 316 TYR ASP ALA PRO ALA VAL ASP ALA HIS TYR TYR ALA GLY -SEQRES 7 A 316 VAL THR TYR ASP TYR TYR LYS ASN VAL HIS ASN ARG LEU -SEQRES 8 A 316 SER TYR ASP GLY ASN ASN ALA ALA ILE ARG SER SER VAL -SEQRES 9 A 316 HIS TYR SER GLN GLY TYR ASN ASN ALA PHE TRP ASN GLY -SEQRES 10 A 316 SER GLN MET VAL TYR GLY ASP GLY ASP GLY GLN THR PHE -SEQRES 11 A 316 ILE PRO LEU SER GLY GLY ILE ASP VAL VAL ALA HIS GLU -SEQRES 12 A 316 LEU THR HIS ALA VAL THR ASP TYR THR ALA GLY LEU ILE -SEQRES 13 A 316 TYR GLN ASN GLU SER GLY ALA ILE ASN GLU ALA ILE SER -SEQRES 14 A 316 ASP ILE PHE GLY THR LEU VAL GLU PHE TYR ALA ASN LYS -SEQRES 15 A 316 ASN PRO ASP TRP GLU ILE GLY GLU ASP VAL TYR THR PRO -SEQRES 16 A 316 GLY ILE SER GLY ASP SER LEU ARG SER MET SER ASP PRO -SEQRES 17 A 316 ALA LYS TYR GLY ASP PRO ASP HIS TYR SER LYS ARG TYR -SEQRES 18 A 316 THR GLY THR GLN ASP ASN GLY GLY VAL HIS ILE ASN SER -SEQRES 19 A 316 GLY ILE ILE ASN LYS ALA ALA TYR LEU ILE SER GLN GLY -SEQRES 20 A 316 GLY THR HIS TYR GLY VAL SER VAL VAL GLY ILE GLY ARG -SEQRES 21 A 316 ASP LYS LEU GLY LYS ILE PHE TYR ARG ALA LEU THR GLN -SEQRES 22 A 316 TYR LEU THR PRO THR SER ASN PHE SER GLN LEU ARG ALA -SEQRES 23 A 316 ALA ALA VAL GLN SER ALA THR ASP LEU TYR GLY SER THR -SEQRES 24 A 316 SER GLN GLU VAL ALA SER VAL LYS GLN ALA PHE ASP ALA -SEQRES 25 A 316 VAL GLY VAL LYS -HET UBY A 401 33 -HET GOL A 402 8 -HET GOL A 403 6 -HET GOL A 404 6 -HET GOL A 405 6 -HET DMS A 406 4 -HET DMS A 407 4 -HET DMS A 408 4 -HET DMS A 409 4 -HET ZN A 410 1 -HET CA A 411 1 -HET CA A 412 1 -HET CA A 413 1 -HET CA A 414 1 -HETNAM UBY N-[(S)-({[(BENZYLOXY)CARBONYL]AMINO}METHYL)(HYDROXY) -HETNAM 2 UBY PHOSPHORYL]-L-LEUCYL-L-ALANINE -HETNAM GOL GLYCEROL -HETNAM DMS DIMETHYL SULFOXIDE -HETNAM ZN ZINC ION -HETNAM CA CALCIUM ION -HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL -FORMUL 2 UBY C18 H28 N3 O7 P -FORMUL 3 GOL 4(C3 H8 O3) -FORMUL 7 DMS 4(C2 H6 O S) -FORMUL 11 ZN ZN 2+ -FORMUL 12 CA 4(CA 2+) -FORMUL 16 HOH *499(H2 O) -HELIX 1 1 ALA A 64 TYR A 66 5 3 -HELIX 2 2 ASP A 67 ASN A 89 1 23 -HELIX 3 3 PRO A 132 GLY A 135 5 4 -HELIX 4 4 GLY A 136 THR A 152 1 17 -HELIX 5 5 GLN A 158 ASN A 181 1 24 -HELIX 6 6 ASP A 207 GLY A 212 5 6 -HELIX 7 7 HIS A 216 ARG A 220 5 5 -HELIX 8 8 THR A 224 VAL A 230 1 7 -HELIX 9 9 ASN A 233 GLY A 247 1 15 -HELIX 10 10 GLY A 259 TYR A 274 1 16 -HELIX 11 11 ASN A 280 GLY A 297 1 18 -HELIX 12 12 SER A 300 VAL A 313 1 14 -SHEET 1 A 5 ALA A 56 ASP A 57 0 -SHEET 2 A 5 TYR A 28 TYR A 29 -1 N TYR A 28 O ASP A 57 -SHEET 3 A 5 GLN A 17 TYR A 24 -1 N THR A 23 O TYR A 29 -SHEET 4 A 5 THR A 4 ARG A 11 -1 N THR A 4 O TYR A 24 -SHEET 5 A 5 GLN A 61 PHE A 62 1 O PHE A 62 N VAL A 9 -SHEET 1 B 3 GLN A 31 ASP A 32 0 -SHEET 2 B 3 ILE A 39 ASP A 43 -1 O ILE A 39 N ASP A 32 -SHEET 3 B 3 SER A 53 LEU A 54 -1 O SER A 53 N ASP A 43 -SHEET 1 C 5 GLN A 31 ASP A 32 0 -SHEET 2 C 5 ILE A 39 ASP A 43 -1 O ILE A 39 N ASP A 32 -SHEET 3 C 5 ILE A 100 TYR A 106 1 O ILE A 100 N PHE A 40 -SHEET 4 C 5 MET A 120 GLY A 123 1 O MET A 120 N ARG A 101 -SHEET 5 C 5 ALA A 113 TRP A 115 -1 N PHE A 114 O VAL A 121 -SHEET 1 D 2 GLU A 187 ILE A 188 0 -SHEET 2 D 2 ARG A 203 SER A 204 -1 O ARG A 203 N ILE A 188 -SHEET 1 E 2 GLY A 248 HIS A 250 0 -SHEET 2 E 2 VAL A 253 VAL A 255 -1 O VAL A 255 N GLY A 248 -CISPEP 1 LEU A 50 PRO A 51 0 3.93 -SITE 1 AC1 18 TYR A 106 ASN A 112 ALA A 113 PHE A 114 -SITE 2 AC1 18 TRP A 115 HIS A 142 GLU A 143 HIS A 146 -SITE 3 AC1 18 TYR A 157 GLU A 166 ARG A 203 HIS A 231 -SITE 4 AC1 18 GOL A 405 DMS A 406 ZN A 410 HOH A 795 -SITE 5 AC1 18 HOH A 813 HOH A 820 -SITE 1 AC2 12 GLY A 247 GLY A 248 THR A 249 VAL A 255 -SITE 2 AC2 12 GLN A 273 TYR A 274 LEU A 275 THR A 276 -SITE 3 AC2 12 HOH A 727 HOH A 758 HOH A 787 HOH A 855 -SITE 1 AC3 6 SER A 65 TYR A 66 PRO A 69 HIS A 105 -SITE 2 AC3 6 HOH A 904 HOH A 982 -SITE 1 AC4 8 GLY A 109 TYR A 110 ASN A 111 ASN A 112 -SITE 2 AC4 8 GLN A 158 DMS A 406 HOH A 854 HOH A 870 -SITE 1 AC5 8 PHE A 114 TRP A 115 HIS A 146 TYR A 157 -SITE 2 AC5 8 UBY A 401 HOH A 674 HOH A 702 HOH A 715 -SITE 1 AC6 7 TYR A 110 ASN A 112 PHE A 114 UBY A 401 -SITE 2 AC6 7 GOL A 404 HOH A 761 HOH A 990 -SITE 1 AC7 5 ILE A 1 THR A 2 GLY A 3 GLN A 31 -SITE 2 AC7 5 ASN A 33 -SITE 1 AC8 7 TYR A 66 HIS A 216 SER A 218 TYR A 251 -SITE 2 AC8 7 HOH A 628 HOH A 833 HOH A 940 -SITE 1 AC9 7 THR A 2 THR A 4 TYR A 24 SER A 25 -SITE 2 AC9 7 TYR A 28 HOH A 531 HOH A 877 -SITE 1 BC1 4 HIS A 142 HIS A 146 GLU A 166 UBY A 401 -SITE 1 BC2 6 GLU A 177 ASN A 183 ASP A 185 GLU A 190 -SITE 2 BC2 6 HOH A 692 HOH A 748 -SITE 1 BC3 6 ASP A 138 GLU A 177 ASP A 185 GLU A 187 -SITE 2 BC3 6 GLU A 190 HOH A 984 -SITE 1 BC4 6 TYR A 193 THR A 194 ILE A 197 ASP A 200 -SITE 2 BC4 6 HOH A 946 HOH A 985 -SITE 1 BC5 6 ASP A 57 ASP A 59 GLN A 61 HOH A 944 -SITE 2 BC5 6 HOH A 945 HOH A 947 -CRYST1 92.600 92.600 131.000 90.00 90.00 120.00 P 61 2 2 12 -ORIGX1 1.000000 0.000000 0.000000 0.00000 -ORIGX2 0.000000 1.000000 0.000000 0.00000 -ORIGX3 0.000000 0.000000 1.000000 0.00000 -SCALE1 0.010799 0.006235 0.000000 0.00000 -SCALE2 0.000000 0.012470 0.000000 0.00000 -SCALE3 0.000000 0.000000 0.007634 0.00000 -ATOM 1 N ILE A 1 36.774 -28.534 0.865 1.00 15.35 N -ANISOU 1 N ILE A 1 1377 2815 1639 136 -614 331 N -ATOM 2 CA ILE A 1 38.170 -28.475 0.371 1.00 16.14 C -ANISOU 2 CA ILE A 1 1563 2780 1789 122 -387 327 C -ATOM 3 C ILE A 1 38.518 -27.033 -0.008 1.00 14.28 C -ANISOU 3 C ILE A 1 1358 2434 1635 13 -376 298 C -ATOM 4 O ILE A 1 37.650 -26.207 -0.282 1.00 13.97 O -ANISOU 4 O ILE A 1 1167 2400 1740 48 -247 345 O -ATOM 5 CB ILE A 1 38.390 -29.435 -0.826 1.00 18.54 C -ANISOU 5 CB ILE A 1 1898 3079 2068 199 -137 256 C -ATOM 6 CG1 ILE A 1 39.881 -29.678 -1.068 1.00 21.63 C -ANISOU 6 CG1 ILE A 1 2502 3443 2275 545 -60 229 C -ATOM 7 CG2 ILE A 1 37.730 -28.900 -2.072 1.00 18.87 C -ANISOU 7 CG2 ILE A 1 1788 3266 2117 102 -127 88 C -ATOM 8 CD1 ILE A 1 40.168 -30.759 -2.102 1.00 23.00 C -ANISOU 8 CD1 ILE A 1 2814 3529 2395 665 -53 248 C -ATOM 9 N THR A 2 39.803 -26.729 0.013 1.00 13.71 N -ANISOU 9 N THR A 2 1354 2393 1462 -44 -350 235 N -ATOM 10 CA THR A 2 40.290 -25.429 -0.402 1.00 13.65 C -ANISOU 10 CA THR A 2 1529 2335 1323 -187 -393 72 C -ATOM 11 C THR A 2 40.426 -25.413 -1.918 1.00 13.42 C -ANISOU 11 C THR A 2 1693 2178 1228 120 -154 107 C -ATOM 12 O THR A 2 41.021 -26.301 -2.518 1.00 15.44 O -ANISOU 12 O THR A 2 2231 2391 1245 686 -94 191 O -ATOM 13 CB THR A 2 41.638 -25.144 0.268 1.00 15.32 C -ANISOU 13 CB THR A 2 1854 2609 1357 -420 -489 2 C -ATOM 14 OG1 THR A 2 41.458 -25.144 1.695 1.00 17.52 O -ANISOU 14 OG1 THR A 2 2195 3030 1432 -303 -484 -68 O -ATOM 15 CG2 THR A 2 42.214 -23.804 -0.199 1.00 17.09 C -ANISOU 15 CG2 THR A 2 2093 2891 1510 -198 -475 42 C -ATOM 16 N GLY A 3 39.850 -24.409 -2.555 1.00 11.47 N -ANISOU 16 N GLY A 3 1494 1742 1124 -103 -60 -53 N -ATOM 17 CA GLY A 3 39.937 -24.296 -3.990 1.00 11.28 C -ANISOU 17 CA GLY A 3 1495 1732 1059 -63 124 -71 C -ATOM 18 C GLY A 3 39.281 -23.032 -4.465 1.00 11.87 C -ANISOU 18 C GLY A 3 1574 1921 1013 73 210 -19 C -ATOM 19 O GLY A 3 39.001 -22.138 -3.674 1.00 15.24 O -ANISOU 19 O GLY A 3 2311 2467 1013 671 173 -66 O -ATOM 20 N THR A 4 39.033 -22.938 -5.759 1.00 10.22 N -ANISOU 20 N THR A 4 1119 1790 973 -135 160 104 N -ATOM 21 CA ATHR A 4 38.411 -21.722 -6.279 0.74 9.68 C -ANISOU 21 CA ATHR A 4 1024 1714 941 -174 240 221 C -ATOM 22 CA BTHR A 4 38.444 -21.749 -6.353 0.26 10.14 C -ANISOU 22 CA BTHR A 4 1129 1737 985 -229 259 265 C -ATOM 23 C THR A 4 37.001 -22.050 -6.755 1.00 8.92 C -ANISOU 23 C THR A 4 1072 1436 882 -232 248 165 C -ATOM 24 O THR A 4 36.717 -23.132 -7.275 1.00 8.61 O -ANISOU 24 O THR A 4 1035 1331 905 -54 202 76 O -ATOM 25 CB ATHR A 4 39.267 -21.032 -7.364 0.74 10.56 C -ANISOU 25 CB ATHR A 4 1099 1902 1011 -9 192 112 C -ATOM 26 CB BTHR A 4 39.244 -21.291 -7.593 0.26 11.43 C -ANISOU 26 CB BTHR A 4 1256 1965 1123 -266 328 431 C -ATOM 27 OG1ATHR A 4 38.749 -19.726 -7.665 0.74 10.77 O -ANISOU 27 OG1ATHR A 4 1177 1897 1019 99 67 124 O -ATOM 28 OG1BTHR A 4 40.646 -21.564 -7.413 0.26 11.66 O -ANISOU 28 OG1BTHR A 4 1321 1896 1211 -434 388 480 O -ATOM 29 CG2ATHR A 4 39.270 -21.844 -8.601 0.74 9.29 C -ANISOU 29 CG2ATHR A 4 853 1700 976 -407 285 -170 C -ATOM 30 CG2BTHR A 4 39.041 -19.808 -7.817 0.26 11.71 C -ANISOU 30 CG2BTHR A 4 1285 2019 1143 -209 343 489 C -ATOM 31 N SER A 5 36.105 -21.109 -6.521 1.00 8.26 N -ANISOU 31 N SER A 5 1084 1275 780 -232 241 -6 N -ATOM 32 CA SER A 5 34.706 -21.289 -6.878 1.00 7.43 C -ANISOU 32 CA SER A 5 1104 1072 646 -224 331 15 C -ATOM 33 C SER A 5 34.509 -21.277 -8.386 1.00 6.82 C -ANISOU 33 C SER A 5 1143 901 549 -87 344 84 C -ATOM 34 O SER A 5 34.975 -20.379 -9.081 1.00 7.47 O -ANISOU 34 O SER A 5 1294 936 609 -137 377 118 O -ATOM 35 CB SER A 5 33.864 -20.198 -6.244 1.00 7.66 C -ANISOU 35 CB SER A 5 1261 1047 601 -69 427 80 C -ATOM 36 OG SER A 5 33.974 -20.280 -4.833 1.00 8.67 O -ANISOU 36 OG SER A 5 1500 1205 588 -218 369 -16 O -ATOM 37 N THR A 6 33.746 -22.246 -8.865 1.00 6.89 N -ANISOU 37 N THR A 6 1103 955 559 -102 202 48 N -ATOM 38 CA THR A 6 33.532 -22.460 -10.276 1.00 7.82 C -ANISOU 38 CA THR A 6 1192 1163 618 -99 169 85 C -ATOM 39 C THR A 6 32.047 -22.744 -10.515 1.00 6.91 C -ANISOU 39 C THR A 6 1088 949 589 -41 246 273 C -ATOM 40 O THR A 6 31.275 -22.897 -9.571 1.00 6.49 O -ANISOU 40 O THR A 6 942 935 588 -113 251 254 O -ATOM 41 CB THR A 6 34.457 -23.650 -10.777 1.00 9.34 C -ANISOU 41 CB THR A 6 1265 1544 740 -72 163 155 C -ATOM 42 OG1 THR A 6 34.379 -24.760 -9.878 1.00 10.05 O -ANISOU 42 OG1 THR A 6 1445 1447 928 122 36 12 O -ATOM 43 CG2 THR A 6 35.910 -23.215 -10.772 1.00 10.01 C -ANISOU 43 CG2 THR A 6 1372 1513 919 43 181 39 C -ATOM 44 N VAL A 7 31.651 -22.796 -11.778 1.00 7.04 N -ANISOU 44 N VAL A 7 1122 917 637 -61 203 189 N -ATOM 45 CA VAL A 7 30.262 -23.047 -12.159 1.00 7.13 C -ANISOU 45 CA VAL A 7 1166 907 635 -35 174 246 C -ATOM 46 C VAL A 7 30.243 -24.163 -13.181 1.00 7.58 C -ANISOU 46 C VAL A 7 1194 1092 594 -39 232 189 C -ATOM 47 O VAL A 7 30.747 -24.028 -14.289 1.00 8.15 O -ANISOU 47 O VAL A 7 1244 1223 630 -66 344 167 O -ATOM 48 CB VAL A 7 29.564 -21.801 -12.694 1.00 8.18 C -ANISOU 48 CB VAL A 7 1296 1054 759 84 83 129 C -ATOM 49 CG1 VAL A 7 28.154 -22.146 -13.136 1.00 8.98 C -ANISOU 49 CG1 VAL A 7 1363 1201 850 209 -29 40 C -ATOM 50 CG2 VAL A 7 29.580 -20.681 -11.648 1.00 8.40 C -ANISOU 50 CG2 VAL A 7 1385 979 826 151 139 150 C -ATOM 51 N GLY A 8 29.718 -25.301 -12.758 1.00 7.52 N -ANISOU 51 N GLY A 8 1191 1045 621 -25 89 123 N -ATOM 52 CA GLY A 8 29.537 -26.441 -13.634 1.00 7.88 C -ANISOU 52 CA GLY A 8 1244 1088 661 126 -22 71 C -ATOM 53 C GLY A 8 28.142 -26.472 -14.212 1.00 7.58 C -ANISOU 53 C GLY A 8 1196 1052 632 46 -42 150 C -ATOM 54 O GLY A 8 27.293 -25.637 -13.886 1.00 7.51 O -ANISOU 54 O GLY A 8 1115 1129 610 72 77 207 O -ATOM 55 N VAL A 9 27.908 -27.419 -15.107 1.00 8.09 N -ANISOU 55 N VAL A 9 1172 1256 645 -17 -110 161 N -ATOM 56 CA AVAL A 9 26.612 -27.549 -15.735 0.58 8.47 C -ANISOU 56 CA AVAL A 9 1315 1219 682 -45 -184 211 C -ATOM 57 CA BVAL A 9 26.638 -27.547 -15.792 0.42 8.46 C -ANISOU 57 CA BVAL A 9 1279 1260 674 -17 -163 227 C -ATOM 58 C VAL A 9 26.300 -29.031 -15.830 1.00 7.96 C -ANISOU 58 C VAL A 9 1192 1195 638 -60 -240 221 C -ATOM 59 O VAL A 9 27.187 -29.857 -16.000 1.00 8.28 O -ANISOU 59 O VAL A 9 1263 1269 613 81 -232 144 O -ATOM 60 CB AVAL A 9 26.584 -26.857 -17.116 0.58 10.06 C -ANISOU 60 CB AVAL A 9 1643 1371 808 156 -216 338 C -ATOM 61 CB BVAL A 9 26.738 -26.983 -17.226 0.42 9.91 C -ANISOU 61 CB BVAL A 9 1529 1455 782 181 -156 360 C -ATOM 62 CG1AVAL A 9 27.575 -27.510 -18.067 0.58 10.29 C -ANISOU 62 CG1AVAL A 9 1711 1389 809 103 -276 377 C -ATOM 63 CG1BVAL A 9 25.394 -27.054 -17.919 0.42 10.83 C -ANISOU 63 CG1BVAL A 9 1685 1636 792 350 -153 410 C -ATOM 64 CG2AVAL A 9 25.161 -26.837 -17.686 0.58 11.11 C -ANISOU 64 CG2AVAL A 9 1867 1523 830 418 -255 366 C -ATOM 65 CG2BVAL A 9 27.273 -25.537 -17.203 0.42 10.27 C -ANISOU 65 CG2BVAL A 9 1592 1492 816 120 -171 447 C -ATOM 66 N GLY A 10 25.033 -29.373 -15.688 1.00 8.68 N -ANISOU 66 N GLY A 10 1149 1336 813 -76 -219 207 N -ATOM 67 CA GLY A 10 24.648 -30.758 -15.785 1.00 9.43 C -ANISOU 67 CA GLY A 10 1164 1531 887 -116 -168 278 C -ATOM 68 C GLY A 10 23.165 -30.911 -15.941 1.00 9.16 C -ANISOU 68 C GLY A 10 1169 1554 758 -117 -103 276 C -ATOM 69 O GLY A 10 22.431 -29.952 -16.197 1.00 9.87 O -ANISOU 69 O GLY A 10 1384 1458 907 13 -199 258 O -ATOM 70 N ARG A 11 22.716 -32.144 -15.784 1.00 9.07 N -ANISOU 70 N ARG A 11 1193 1642 613 -187 -20 242 N -ATOM 71 CA AARG A 11 21.305 -32.410 -15.911 0.41 10.26 C -ANISOU 71 CA AARG A 11 1417 1848 635 -178 -83 103 C -ATOM 72 CA BARG A 11 21.312 -32.504 -15.944 0.59 9.05 C -ANISOU 72 CA BARG A 11 1330 1580 528 -315 -101 152 C -ATOM 73 C ARG A 11 20.814 -33.207 -14.694 1.00 8.74 C -ANISOU 73 C ARG A 11 1230 1621 469 -208 -120 131 C -ATOM 74 O ARG A 11 21.503 -34.071 -14.152 1.00 8.76 O -ANISOU 74 O ARG A 11 1219 1668 440 -48 -11 114 O -ATOM 75 CB AARG A 11 21.020 -33.002 -17.310 0.41 13.43 C -ANISOU 75 CB AARG A 11 1906 2331 866 -56 -56 19 C -ATOM 76 CB BARG A 11 21.106 -33.401 -17.166 0.59 10.42 C -ANISOU 76 CB BARG A 11 1741 1616 603 -322 -69 301 C -ATOM 77 CG AARG A 11 20.066 -34.152 -17.441 0.41 15.61 C -ANISOU 77 CG AARG A 11 2207 2667 1055 -126 -35 -31 C -ATOM 78 CG BARG A 11 20.846 -32.577 -18.442 0.59 13.33 C -ANISOU 78 CG BARG A 11 2143 2148 774 -201 -101 365 C -ATOM 79 CD AARG A 11 19.567 -34.307 -18.886 0.41 17.14 C -ANISOU 79 CD AARG A 11 2468 2830 1214 -209 -41 -19 C -ATOM 80 CD BARG A 11 20.129 -33.382 -19.519 0.59 16.10 C -ANISOU 80 CD BARG A 11 2455 2652 1009 -164 -187 241 C -ATOM 81 NE AARG A 11 20.521 -33.876 -19.917 0.41 18.84 N -ANISOU 81 NE AARG A 11 2717 3093 1348 -145 -58 -62 N -ATOM 82 NE BARG A 11 20.980 -34.438 -20.046 0.59 18.03 N -ANISOU 82 NE BARG A 11 2732 2958 1160 -131 -241 83 N -ATOM 83 CZ AARG A 11 20.434 -32.738 -20.610 0.41 20.45 C -ANISOU 83 CZ AARG A 11 2965 3342 1464 -58 -88 -27 C -ATOM 84 CZ BARG A 11 21.731 -34.316 -21.135 0.59 19.74 C -ANISOU 84 CZ BARG A 11 2949 3241 1311 -91 -323 -94 C -ATOM 85 NH1AARG A 11 21.352 -32.451 -21.521 0.41 21.20 N -ANISOU 85 NH1AARG A 11 3080 3443 1531 -9 -87 -46 N -ATOM 86 NH1BARG A 11 21.733 -33.186 -21.818 0.59 19.86 N -ANISOU 86 NH1BARG A 11 3024 3227 1297 -156 -325 -77 N -ATOM 87 NH2AARG A 11 19.439 -31.882 -20.403 0.41 21.01 N -ANISOU 87 NH2AARG A 11 3018 3464 1500 -59 -101 67 N -ATOM 88 NH2BARG A 11 22.484 -35.322 -21.537 0.59 21.18 N -ANISOU 88 NH2BARG A 11 3087 3521 1440 80 -351 -144 N -ATOM 89 N GLY A 12 19.639 -32.826 -14.215 1.00 8.53 N -ANISOU 89 N GLY A 12 1274 1522 444 -73 -122 175 N -ATOM 90 CA GLY A 12 19.049 -33.440 -13.052 1.00 8.56 C -ANISOU 90 CA GLY A 12 1302 1516 435 -116 -166 60 C -ATOM 91 C GLY A 12 18.286 -34.709 -13.391 1.00 8.75 C -ANISOU 91 C GLY A 12 1293 1570 461 -266 -103 -55 C -ATOM 92 O GLY A 12 18.239 -35.177 -14.531 1.00 9.63 O -ANISOU 92 O GLY A 12 1371 1755 531 -306 -88 -161 O -ATOM 93 N VAL A 13 17.663 -35.262 -12.366 1.00 8.93 N -ANISOU 93 N VAL A 13 1298 1611 482 -205 -135 71 N -ATOM 94 CA VAL A 13 16.947 -36.524 -12.441 1.00 9.38 C -ANISOU 94 CA VAL A 13 1376 1647 540 -323 -149 33 C -ATOM 95 C VAL A 13 15.850 -36.519 -13.514 1.00 10.83 C -ANISOU 95 C VAL A 13 1629 1845 640 -387 -174 -35 C -ATOM 96 O VAL A 13 15.635 -37.529 -14.183 1.00 12.03 O -ANISOU 96 O VAL A 13 1848 1912 811 -426 -149 -188 O -ATOM 97 CB VAL A 13 16.366 -36.850 -11.047 1.00 9.00 C -ANISOU 97 CB VAL A 13 1298 1530 593 -277 -129 55 C -ATOM 98 CG1 VAL A 13 15.471 -38.064 -11.107 1.00 9.86 C -ANISOU 98 CG1 VAL A 13 1431 1627 689 -277 -224 12 C -ATOM 99 CG2 VAL A 13 17.488 -37.053 -10.041 1.00 9.19 C -ANISOU 99 CG2 VAL A 13 1369 1477 644 -35 -203 64 C -ATOM 100 N LEU A 14 15.175 -35.388 -13.679 1.00 10.87 N -ANISOU 100 N LEU A 14 1519 1958 655 -465 -264 128 N -ATOM 101 CA LEU A 14 14.087 -35.277 -14.649 1.00 12.68 C -ANISOU 101 CA LEU A 14 1687 2327 803 -437 -372 229 C -ATOM 102 C LEU A 14 14.577 -34.808 -16.021 1.00 13.59 C -ANISOU 102 C LEU A 14 1849 2455 862 -378 -435 251 C -ATOM 103 O LEU A 14 13.761 -34.561 -16.912 1.00 15.18 O -ANISOU 103 O LEU A 14 2015 2722 1029 -269 -580 316 O -ATOM 104 CB LEU A 14 13.007 -34.346 -14.109 1.00 15.40 C -ANISOU 104 CB LEU A 14 1948 2894 1011 -164 -416 309 C -ATOM 105 CG LEU A 14 12.095 -34.931 -13.021 1.00 18.46 C -ANISOU 105 CG LEU A 14 2277 3420 1319 189 -280 264 C -ATOM 106 CD1 LEU A 14 12.802 -35.465 -11.824 1.00 20.59 C -ANISOU 106 CD1 LEU A 14 2620 3693 1509 540 -157 206 C -ATOM 107 CD2 LEU A 14 11.099 -33.863 -12.616 1.00 19.26 C -ANISOU 107 CD2 LEU A 14 2323 3577 1419 282 -136 342 C -ATOM 108 N GLY A 15 15.884 -34.732 -16.233 1.00 12.83 N -ANISOU 108 N GLY A 15 1872 2234 770 -470 -359 166 N -ATOM 109 CA GLY A 15 16.421 -34.430 -17.561 1.00 13.37 C -ANISOU 109 CA GLY A 15 2023 2349 709 -380 -197 169 C -ATOM 110 C GLY A 15 16.638 -32.958 -17.862 1.00 13.40 C -ANISOU 110 C GLY A 15 1992 2371 729 -427 -200 225 C -ATOM 111 O GLY A 15 16.976 -32.583 -18.982 1.00 14.59 O -ANISOU 111 O GLY A 15 2216 2562 763 -389 -76 279 O -ATOM 112 N ASP A 16 16.458 -32.110 -16.865 1.00 12.37 N -ANISOU 112 N ASP A 16 1735 2226 738 -516 -272 230 N -ATOM 113 CA ASP A 16 16.587 -30.671 -17.042 1.00 12.16 C -ANISOU 113 CA ASP A 16 1571 2230 818 -244 -448 203 C -ATOM 114 C ASP A 16 18.013 -30.185 -16.790 1.00 10.95 C -ANISOU 114 C ASP A 16 1365 2018 780 -219 -413 254 C -ATOM 115 O ASP A 16 18.678 -30.639 -15.871 1.00 11.33 O -ANISOU 115 O ASP A 16 1327 2118 861 -58 -409 361 O -ATOM 116 CB ASP A 16 15.634 -29.952 -16.097 1.00 13.97 C -ANISOU 116 CB ASP A 16 1811 2527 969 138 -587 19 C -ATOM 117 CG ASP A 16 15.821 -30.354 -14.626 1.00 15.93 C -ANISOU 117 CG ASP A 16 2062 2786 1205 447 -694 -262 C -ATOM 118 OD1 ASP A 16 16.071 -31.534 -14.259 1.00 15.39 O -ANISOU 118 OD1 ASP A 16 1959 2643 1246 109 -540 -281 O -ATOM 119 OD2 ASP A 16 15.703 -29.442 -13.808 1.00 19.23 O -ANISOU 119 OD2 ASP A 16 2610 3218 1478 1005 -798 -421 O -ATOM 120 N GLN A 17 18.475 -29.255 -17.610 1.00 11.10 N -ANISOU 120 N GLN A 17 1450 2032 735 -106 -388 250 N -ATOM 121 CA GLN A 17 19.814 -28.715 -17.486 1.00 10.85 C -ANISOU 121 CA GLN A 17 1521 1889 711 -184 -306 363 C -ATOM 122 C GLN A 17 19.829 -27.595 -16.459 1.00 10.60 C -ANISOU 122 C GLN A 17 1504 1782 741 -32 -310 317 C -ATOM 123 O GLN A 17 18.941 -26.751 -16.427 1.00 12.07 O -ANISOU 123 O GLN A 17 1716 1965 906 280 -450 219 O -ATOM 124 CB GLN A 17 20.316 -28.209 -18.844 1.00 12.18 C -ANISOU 124 CB GLN A 17 1652 2141 835 -258 -287 457 C -ATOM 125 CG GLN A 17 21.758 -27.751 -18.812 1.00 14.54 C -ANISOU 125 CG GLN A 17 1952 2583 992 -103 -310 489 C -ATOM 126 CD GLN A 17 22.287 -27.446 -20.185 1.00 17.27 C -ANISOU 126 CD GLN A 17 2287 3046 1229 3 -175 537 C -ATOM 127 OE1 GLN A 17 22.240 -28.287 -21.077 1.00 18.17 O -ANISOU 127 OE1 GLN A 17 2427 3202 1275 109 9 539 O -ATOM 128 NE2 GLN A 17 22.785 -26.235 -20.363 1.00 19.13 N -ANISOU 128 NE2 GLN A 17 2490 3369 1408 100 -117 669 N -ATOM 129 N LYS A 18 20.840 -27.593 -15.604 1.00 10.08 N -ANISOU 129 N LYS A 18 1398 1764 667 2 -237 170 N -ATOM 130 CA LYS A 18 21.018 -26.492 -14.671 1.00 10.06 C -ANISOU 130 CA LYS A 18 1413 1711 698 -126 -111 128 C -ATOM 131 C LYS A 18 22.505 -26.273 -14.387 1.00 9.02 C -ANISOU 131 C LYS A 18 1314 1481 633 -5 -100 232 C -ATOM 132 O LYS A 18 23.342 -27.171 -14.572 1.00 10.21 O -ANISOU 132 O LYS A 18 1531 1607 743 159 -150 171 O -ATOM 133 CB LYS A 18 20.213 -26.695 -13.387 1.00 11.76 C -ANISOU 133 CB LYS A 18 1635 1896 939 -91 -75 85 C -ATOM 134 CG LYS A 18 20.555 -27.953 -12.636 1.00 11.84 C -ANISOU 134 CG LYS A 18 1669 1822 1009 179 -65 37 C -ATOM 135 CD LYS A 18 19.393 -28.443 -11.700 1.00 11.04 C -ANISOU 135 CD LYS A 18 1510 1686 999 70 -26 30 C -ATOM 136 CE LYS A 18 18.294 -29.113 -12.468 1.00 12.86 C -ANISOU 136 CE LYS A 18 1783 2076 1027 222 -1 110 C -ATOM 137 NZ LYS A 18 17.133 -29.469 -11.564 1.00 11.12 N -ANISOU 137 NZ LYS A 18 1468 1876 881 18 -51 240 N -ATOM 138 N ASN A 19 22.826 -25.052 -13.983 1.00 8.61 N -ANISOU 138 N ASN A 19 1260 1323 688 98 -58 271 N -ATOM 139 CA ASN A 19 24.161 -24.708 -13.528 1.00 8.68 C -ANISOU 139 CA ASN A 19 1174 1358 767 -105 133 349 C -ATOM 140 C ASN A 19 24.281 -25.031 -12.052 1.00 7.71 C -ANISOU 140 C ASN A 19 988 1283 658 -102 146 125 C -ATOM 141 O ASN A 19 23.318 -24.882 -11.290 1.00 8.44 O -ANISOU 141 O ASN A 19 1065 1464 679 -35 84 50 O -ATOM 142 CB ASN A 19 24.450 -23.218 -13.734 1.00 11.33 C -ANISOU 142 CB ASN A 19 1614 1607 1084 49 179 442 C -ATOM 143 CG ASN A 19 24.465 -22.825 -15.181 1.00 14.31 C -ANISOU 143 CG ASN A 19 2210 1861 1365 395 370 674 C -ATOM 144 OD1 ASN A 19 24.742 -23.641 -16.057 1.00 15.42 O -ANISOU 144 OD1 ASN A 19 2373 2091 1393 434 424 742 O -ATOM 145 ND2 ASN A 19 24.139 -21.571 -15.451 1.00 17.95 N -ANISOU 145 ND2 ASN A 19 2942 2287 1592 869 463 754 N -ATOM 146 N ILE A 20 25.466 -25.458 -11.647 1.00 7.53 N -ANISOU 146 N ILE A 20 1045 1239 577 -74 132 110 N -ATOM 147 CA AILE A 20 25.734 -25.779 -10.252 0.49 7.91 C -ANISOU 147 CA AILE A 20 1140 1326 538 -82 160 57 C -ATOM 148 CA BILE A 20 25.707 -25.707 -10.233 0.51 7.78 C -ANISOU 148 CA BILE A 20 1087 1286 582 -118 138 143 C -ATOM 149 C ILE A 20 27.034 -25.123 -9.798 1.00 7.21 C -ANISOU 149 C ILE A 20 1002 1253 485 -142 177 108 C -ATOM 150 O ILE A 20 28.004 -25.056 -10.565 1.00 7.39 O -ANISOU 150 O ILE A 20 1144 1219 444 -163 150 16 O -ATOM 151 CB AILE A 20 25.817 -27.319 -9.994 0.49 9.21 C -ANISOU 151 CB AILE A 20 1372 1518 610 -107 235 -52 C -ATOM 152 CB BILE A 20 25.686 -27.203 -9.858 0.51 8.78 C -ANISOU 152 CB BILE A 20 1213 1381 743 -209 182 204 C -ATOM 153 CG1AILE A 20 26.746 -28.004 -11.006 0.49 8.88 C -ANISOU 153 CG1AILE A 20 1312 1496 566 -171 186 -181 C -ATOM 154 CG1BILE A 20 26.387 -28.019 -10.938 0.51 8.84 C -ANISOU 154 CG1BILE A 20 1206 1348 806 -61 139 196 C -ATOM 155 CG2AILE A 20 24.418 -27.937 -9.996 0.49 10.26 C -ANISOU 155 CG2AILE A 20 1550 1638 712 12 358 -105 C -ATOM 156 CG2BILE A 20 24.254 -27.691 -9.613 0.51 9.44 C -ANISOU 156 CG2BILE A 20 1298 1475 816 -209 258 124 C -ATOM 157 CD1AILE A 20 26.048 -28.597 -12.219 0.49 8.85 C -ANISOU 157 CD1AILE A 20 1312 1531 521 -44 200 -272 C -ATOM 158 CD1BILE A 20 26.495 -29.472 -10.602 0.51 9.08 C -ANISOU 158 CD1BILE A 20 1238 1392 820 211 213 249 C -ATOM 159 N ASN A 21 27.062 -24.694 -8.549 1.00 6.53 N -ANISOU 159 N ASN A 21 908 1077 497 -119 241 199 N -ATOM 160 CA ASN A 21 28.256 -24.110 -7.960 1.00 6.31 C -ANISOU 160 CA ASN A 21 863 1024 513 -74 247 158 C -ATOM 161 C ASN A 21 29.183 -25.201 -7.482 1.00 5.92 C -ANISOU 161 C ASN A 21 831 944 474 -145 211 126 C -ATOM 162 O ASN A 21 28.794 -26.031 -6.666 1.00 6.92 O -ANISOU 162 O ASN A 21 959 1112 559 -31 245 234 O -ATOM 163 CB ASN A 21 27.874 -23.199 -6.811 1.00 6.71 C -ANISOU 163 CB ASN A 21 946 1015 590 -29 280 62 C -ATOM 164 CG ASN A 21 27.047 -22.027 -7.267 1.00 7.41 C -ANISOU 164 CG ASN A 21 897 1111 808 28 349 66 C -ATOM 165 OD1 ASN A 21 25.862 -21.884 -6.928 1.00 10.02 O -ANISOU 165 OD1 ASN A 21 1138 1522 1147 32 394 119 O -ATOM 166 ND2 ASN A 21 27.658 -21.172 -8.026 1.00 6.58 N -ANISOU 166 ND2 ASN A 21 725 960 814 193 359 192 N -ATOM 167 N THR A 22 30.403 -25.180 -7.995 1.00 5.46 N -ANISOU 167 N THR A 22 857 760 459 -121 159 105 N -ATOM 168 CA THR A 22 31.408 -26.188 -7.700 1.00 5.66 C -ANISOU 168 CA THR A 22 905 798 447 -22 81 111 C -ATOM 169 C THR A 22 32.683 -25.517 -7.192 1.00 6.02 C -ANISOU 169 C THR A 22 929 846 514 -70 147 171 C -ATOM 170 O THR A 22 32.768 -24.286 -7.101 1.00 6.51 O -ANISOU 170 O THR A 22 996 924 552 -88 162 202 O -ATOM 171 CB THR A 22 31.655 -27.078 -8.940 1.00 6.43 C -ANISOU 171 CB THR A 22 1063 869 510 3 44 140 C -ATOM 172 OG1 THR A 22 32.080 -26.281 -10.039 1.00 6.77 O -ANISOU 172 OG1 THR A 22 1058 911 602 -9 125 244 O -ATOM 173 CG2 THR A 22 30.374 -27.807 -9.327 1.00 7.24 C -ANISOU 173 CG2 THR A 22 1292 887 572 -94 -56 96 C -ATOM 174 N THR A 23 33.660 -26.339 -6.824 1.00 6.12 N -ANISOU 174 N THR A 23 905 866 554 -70 112 101 N -ATOM 175 CA THR A 23 34.956 -25.870 -6.355 1.00 7.11 C -ANISOU 175 CA THR A 23 949 1011 742 -54 83 49 C -ATOM 176 C THR A 23 36.034 -26.643 -7.090 1.00 7.68 C -ANISOU 176 C THR A 23 959 1124 835 23 126 -22 C -ATOM 177 O THR A 23 35.992 -27.867 -7.124 1.00 7.95 O -ANISOU 177 O THR A 23 1015 1094 910 54 227 -40 O -ATOM 178 CB THR A 23 35.133 -26.111 -4.849 1.00 7.53 C -ANISOU 178 CB THR A 23 861 1186 813 14 63 27 C -ATOM 179 OG1 THR A 23 34.163 -25.363 -4.120 1.00 7.24 O -ANISOU 179 OG1 THR A 23 823 1188 742 -48 136 -36 O -ATOM 180 CG2 THR A 23 36.500 -25.649 -4.371 1.00 8.41 C -ANISOU 180 CG2 THR A 23 892 1404 901 52 39 -65 C -ATOM 181 N TYR A 24 37.018 -25.935 -7.635 1.00 7.59 N -ANISOU 181 N TYR A 24 917 1084 885 -43 118 -92 N -ATOM 182 CA TYR A 24 38.096 -26.570 -8.356 1.00 8.21 C -ANISOU 182 CA TYR A 24 1027 1185 909 -43 182 -116 C -ATOM 183 C TYR A 24 39.375 -26.625 -7.545 1.00 8.65 C -ANISOU 183 C TYR A 24 965 1360 963 -61 106 -178 C -ATOM 184 O TYR A 24 39.871 -25.610 -7.062 1.00 9.18 O -ANISOU 184 O TYR A 24 1033 1532 924 -24 106 -134 O -ATOM 185 CB TYR A 24 38.375 -25.829 -9.659 1.00 9.16 C -ANISOU 185 CB TYR A 24 1148 1353 979 -91 416 30 C -ATOM 186 CG TYR A 24 39.541 -26.438 -10.395 1.00 10.98 C -ANISOU 186 CG TYR A 24 1431 1588 1152 -53 590 -42 C -ATOM 187 CD1 TYR A 24 39.401 -27.642 -11.074 1.00 11.23 C -ANISOU 187 CD1 TYR A 24 1593 1532 1142 94 513 -211 C -ATOM 188 CD2 TYR A 24 40.806 -25.844 -10.367 1.00 14.00 C -ANISOU 188 CD2 TYR A 24 1776 2119 1426 -14 768 -105 C -ATOM 189 CE1 TYR A 24 40.455 -28.226 -11.734 1.00 13.82 C -ANISOU 189 CE1 TYR A 24 1889 2009 1354 270 665 -218 C -ATOM 190 CE2 TYR A 24 41.877 -26.424 -11.025 1.00 16.21 C -ANISOU 190 CE2 TYR A 24 2031 2525 1603 166 847 -141 C -ATOM 191 CZ TYR A 24 41.696 -27.621 -11.704 1.00 16.40 C -ANISOU 191 CZ TYR A 24 2048 2558 1623 422 964 -198 C -ATOM 192 OH TYR A 24 42.751 -28.202 -12.370 1.00 19.78 O -ANISOU 192 OH TYR A 24 2419 3153 1943 749 1024 -217 O -ATOM 193 N SER A 25 39.872 -27.850 -7.398 1.00 8.83 N -ANISOU 193 N SER A 25 887 1467 1000 -29 80 -208 N -ATOM 194 CA SER A 25 41.201 -28.134 -6.884 1.00 10.81 C -ANISOU 194 CA SER A 25 1095 1915 1098 249 -68 -306 C -ATOM 195 C SER A 25 41.545 -29.535 -7.379 1.00 10.27 C -ANISOU 195 C SER A 25 1060 1767 1076 149 11 -182 C -ATOM 196 O SER A 25 41.134 -30.511 -6.770 1.00 11.16 O -ANISOU 196 O SER A 25 1240 1934 1065 363 -28 -37 O -ATOM 197 CB SER A 25 41.244 -28.088 -5.365 1.00 13.97 C -ANISOU 197 CB SER A 25 1491 2521 1297 707 -266 -404 C -ATOM 198 OG SER A 25 42.571 -28.311 -4.939 1.00 16.70 O -ANISOU 198 OG SER A 25 1949 2913 1484 930 -501 -508 O -ATOM 199 N THR A 26 42.236 -29.594 -8.516 1.00 10.56 N -ANISOU 199 N THR A 26 1120 1759 1134 165 159 -132 N -ATOM 200 CA THR A 26 42.529 -30.810 -9.282 1.00 10.56 C -ANISOU 200 CA THR A 26 1181 1704 1125 263 155 -82 C -ATOM 201 C THR A 26 41.284 -31.395 -9.948 1.00 9.56 C -ANISOU 201 C THR A 26 1172 1505 956 300 195 -2 C -ATOM 202 O THR A 26 41.231 -31.541 -11.169 1.00 10.69 O -ANISOU 202 O THR A 26 1208 1814 1042 314 299 -26 O -ATOM 203 CB THR A 26 43.259 -31.871 -8.441 1.00 12.62 C -ANISOU 203 CB THR A 26 1351 2097 1348 554 -27 -213 C -ATOM 204 OG1 THR A 26 44.438 -31.297 -7.858 1.00 14.68 O -ANISOU 204 OG1 THR A 26 1449 2584 1545 613 -83 -313 O -ATOM 205 CG2 THR A 26 43.677 -33.019 -9.325 1.00 13.46 C -ANISOU 205 CG2 THR A 26 1546 2169 1399 931 -71 -114 C -ATOM 206 N TYR A 27 40.297 -31.729 -9.129 1.00 8.62 N -ANISOU 206 N TYR A 27 1183 1279 812 262 191 152 N -ATOM 207 CA TYR A 27 38.960 -32.075 -9.582 1.00 8.31 C -ANISOU 207 CA TYR A 27 1199 1220 739 225 182 150 C -ATOM 208 C TYR A 27 37.999 -30.920 -9.335 1.00 7.38 C -ANISOU 208 C TYR A 27 1191 991 620 126 120 64 C -ATOM 209 O TYR A 27 38.314 -29.994 -8.599 1.00 8.11 O -ANISOU 209 O TYR A 27 1192 1216 672 141 69 3 O -ATOM 210 CB TYR A 27 38.441 -33.304 -8.823 1.00 8.38 C -ANISOU 210 CB TYR A 27 1197 1181 807 212 138 125 C -ATOM 211 CG TYR A 27 39.084 -34.596 -9.243 1.00 8.15 C -ANISOU 211 CG TYR A 27 1196 1028 873 138 48 139 C -ATOM 212 CD1 TYR A 27 38.575 -35.327 -10.308 1.00 9.44 C -ANISOU 212 CD1 TYR A 27 1357 1288 942 367 -121 -13 C -ATOM 213 CD2 TYR A 27 40.174 -35.112 -8.570 1.00 8.83 C -ANISOU 213 CD2 TYR A 27 1217 1168 970 209 -52 -3 C -ATOM 214 CE1 TYR A 27 39.142 -36.511 -10.716 1.00 9.29 C -ANISOU 214 CE1 TYR A 27 1328 1193 1010 327 -91 41 C -ATOM 215 CE2 TYR A 27 40.756 -36.313 -8.979 1.00 9.09 C -ANISOU 215 CE2 TYR A 27 1174 1185 1093 319 -97 -3 C -ATOM 216 CZ TYR A 27 40.234 -36.995 -10.049 1.00 8.79 C -ANISOU 216 CZ TYR A 27 1142 1046 1152 260 -9 61 C -ATOM 217 OH TYR A 27 40.790 -38.189 -10.425 1.00 10.83 O -ANISOU 217 OH TYR A 27 1303 1317 1494 403 -148 -25 O -ATOM 218 N TYR A 28 36.831 -31.003 -9.951 1.00 7.07 N -ANISOU 218 N TYR A 28 1195 1049 441 259 128 68 N -ATOM 219 CA TYR A 28 35.701 -30.147 -9.636 1.00 6.85 C -ANISOU 219 CA TYR A 28 1163 964 476 66 186 -3 C -ATOM 220 C TYR A 28 34.799 -30.870 -8.656 1.00 7.47 C -ANISOU 220 C TYR A 28 1309 933 596 37 219 27 C -ATOM 221 O TYR A 28 34.308 -31.959 -8.938 1.00 9.16 O -ANISOU 221 O TYR A 28 1770 1046 665 -143 304 36 O -ATOM 222 CB TYR A 28 34.918 -29.799 -10.903 1.00 6.88 C -ANISOU 222 CB TYR A 28 1124 1003 487 12 80 117 C -ATOM 223 CG TYR A 28 35.734 -29.032 -11.908 1.00 7.06 C -ANISOU 223 CG TYR A 28 1136 1075 471 0 114 227 C -ATOM 224 CD1 TYR A 28 35.769 -27.642 -11.898 1.00 7.52 C -ANISOU 224 CD1 TYR A 28 1240 1122 495 -63 105 181 C -ATOM 225 CD2 TYR A 28 36.504 -29.693 -12.861 1.00 7.70 C -ANISOU 225 CD2 TYR A 28 1253 1199 473 112 123 256 C -ATOM 226 CE1 TYR A 28 36.520 -26.946 -12.813 1.00 8.13 C -ANISOU 226 CE1 TYR A 28 1384 1145 561 -119 170 95 C -ATOM 227 CE2 TYR A 28 37.252 -28.986 -13.787 1.00 8.20 C -ANISOU 227 CE2 TYR A 28 1322 1240 552 -23 226 206 C -ATOM 228 CZ TYR A 28 37.268 -27.616 -13.740 1.00 8.81 C -ANISOU 228 CZ TYR A 28 1489 1277 582 -154 277 259 C -ATOM 229 OH TYR A 28 38.025 -26.916 -14.650 1.00 10.24 O -ANISOU 229 OH TYR A 28 1779 1467 644 -301 218 177 O -ATOM 230 N TYR A 29 34.598 -30.260 -7.503 1.00 6.32 N -ANISOU 230 N TYR A 29 933 918 552 -61 198 26 N -ATOM 231 CA TYR A 29 33.833 -30.852 -6.420 1.00 6.52 C -ANISOU 231 CA TYR A 29 922 1069 487 -75 115 107 C -ATOM 232 C TYR A 29 32.476 -30.193 -6.301 1.00 5.88 C -ANISOU 232 C TYR A 29 936 844 454 4 167 143 C -ATOM 233 O TYR A 29 32.349 -28.989 -6.544 1.00 6.12 O -ANISOU 233 O TYR A 29 946 891 489 -9 161 115 O -ATOM 234 CB TYR A 29 34.575 -30.697 -5.098 1.00 7.64 C -ANISOU 234 CB TYR A 29 1085 1282 538 -25 66 24 C -ATOM 235 CG TYR A 29 35.838 -31.505 -5.043 1.00 8.64 C -ANISOU 235 CG TYR A 29 1052 1603 628 35 -22 -110 C -ATOM 236 CD1 TYR A 29 35.819 -32.808 -4.578 1.00 10.23 C -ANISOU 236 CD1 TYR A 29 1237 1900 749 304 -126 -124 C -ATOM 237 CD2 TYR A 29 37.039 -30.976 -5.456 1.00 10.45 C -ANISOU 237 CD2 TYR A 29 1124 2070 778 231 -11 -155 C -ATOM 238 CE1 TYR A 29 36.965 -33.572 -4.518 1.00 12.51 C -ANISOU 238 CE1 TYR A 29 1433 2326 993 610 -157 -233 C -ATOM 239 CE2 TYR A 29 38.195 -31.728 -5.415 1.00 12.21 C -ANISOU 239 CE2 TYR A 29 1174 2542 923 414 -119 -305 C -ATOM 240 CZ TYR A 29 38.155 -33.026 -4.939 1.00 13.63 C -ANISOU 240 CZ TYR A 29 1351 2711 1116 706 -155 -390 C -ATOM 241 OH TYR A 29 39.302 -33.787 -4.874 1.00 16.78 O -ANISOU 241 OH TYR A 29 1726 3217 1434 1180 -196 -467 O -ATOM 242 N LEU A 30 31.476 -30.981 -5.897 1.00 6.02 N -ANISOU 242 N LEU A 30 954 886 447 3 85 208 N -ATOM 243 CA LEU A 30 30.166 -30.433 -5.545 1.00 5.69 C -ANISOU 243 CA LEU A 30 887 887 389 -46 79 76 C -ATOM 244 C LEU A 30 30.236 -29.781 -4.179 1.00 5.31 C -ANISOU 244 C LEU A 30 816 867 334 -127 95 111 C -ATOM 245 O LEU A 30 29.842 -30.331 -3.148 1.00 5.76 O -ANISOU 245 O LEU A 30 885 926 377 -65 108 153 O -ATOM 246 CB LEU A 30 29.055 -31.476 -5.635 1.00 6.40 C -ANISOU 246 CB LEU A 30 970 980 481 -67 129 171 C -ATOM 247 CG LEU A 30 28.768 -32.039 -7.025 1.00 6.69 C -ANISOU 247 CG LEU A 30 1081 1001 459 -109 187 63 C -ATOM 248 CD1 LEU A 30 27.626 -33.046 -6.954 1.00 6.88 C -ANISOU 248 CD1 LEU A 30 1161 1030 425 -7 92 64 C -ATOM 249 CD2 LEU A 30 28.430 -30.950 -7.999 1.00 7.43 C -ANISOU 249 CD2 LEU A 30 1288 1160 375 -95 111 -68 C -ATOM 250 N GLN A 31 30.791 -28.572 -4.212 1.00 5.46 N -ANISOU 250 N GLN A 31 923 821 332 -116 58 121 N -ATOM 251 CA GLN A 31 31.012 -27.719 -3.055 1.00 5.46 C -ANISOU 251 CA GLN A 31 793 850 431 -97 41 30 C -ATOM 252 C GLN A 31 30.685 -26.309 -3.538 1.00 5.46 C -ANISOU 252 C GLN A 31 781 905 390 -46 78 110 C -ATOM 253 O GLN A 31 31.408 -25.729 -4.354 1.00 5.99 O -ANISOU 253 O GLN A 31 803 1016 457 -71 79 79 O -ATOM 254 CB GLN A 31 32.452 -27.819 -2.554 1.00 6.12 C -ANISOU 254 CB GLN A 31 891 886 550 -25 38 26 C -ATOM 255 CG GLN A 31 32.752 -26.844 -1.433 1.00 6.74 C -ANISOU 255 CG GLN A 31 957 991 613 12 42 -38 C -ATOM 256 CD GLN A 31 34.175 -26.976 -0.967 1.00 7.70 C -ANISOU 256 CD GLN A 31 1010 1187 728 59 -53 -29 C -ATOM 257 OE1 GLN A 31 34.700 -28.079 -0.860 1.00 8.77 O -ANISOU 257 OE1 GLN A 31 1050 1382 899 26 -187 -17 O -ATOM 258 NE2 GLN A 31 34.818 -25.852 -0.682 1.00 8.19 N -ANISOU 258 NE2 GLN A 31 1080 1264 768 91 -88 81 N -ATOM 259 N ASP A 32 29.563 -25.800 -3.048 1.00 5.39 N -ANISOU 259 N ASP A 32 792 890 367 -86 119 44 N -ATOM 260 CA ASP A 32 29.056 -24.468 -3.373 1.00 5.96 C -ANISOU 260 CA ASP A 32 832 989 443 -18 158 66 C -ATOM 261 C ASP A 32 29.481 -23.509 -2.277 1.00 6.02 C -ANISOU 261 C ASP A 32 933 884 469 -101 202 43 C -ATOM 262 O ASP A 32 28.984 -23.587 -1.147 1.00 6.36 O -ANISOU 262 O ASP A 32 955 1018 443 -90 224 -19 O -ATOM 263 CB ASP A 32 27.531 -24.570 -3.436 1.00 6.46 C -ANISOU 263 CB ASP A 32 898 1059 497 29 147 101 C -ATOM 264 CG ASP A 32 26.824 -23.252 -3.607 1.00 6.17 C -ANISOU 264 CG ASP A 32 820 936 589 -162 110 -2 C -ATOM 265 OD1 ASP A 32 27.482 -22.198 -3.748 1.00 6.62 O -ANISOU 265 OD1 ASP A 32 956 943 617 -100 136 -26 O -ATOM 266 OD2 ASP A 32 25.570 -23.282 -3.622 1.00 7.03 O -ANISOU 266 OD2 ASP A 32 945 935 792 -82 44 22 O -ATOM 267 N ASN A 33 30.414 -22.611 -2.584 1.00 5.94 N -ANISOU 267 N ASN A 33 892 868 497 -144 228 18 N -ATOM 268 CA ASN A 33 30.945 -21.681 -1.595 1.00 6.57 C -ANISOU 268 CA ASN A 33 939 895 664 -271 195 -42 C -ATOM 269 C ASN A 33 30.146 -20.396 -1.529 1.00 7.14 C -ANISOU 269 C ASN A 33 1008 949 756 -236 200 -121 C -ATOM 270 O ASN A 33 30.462 -19.516 -0.727 1.00 8.19 O -ANISOU 270 O ASN A 33 1215 1033 864 -152 205 -286 O -ATOM 271 CB ASN A 33 32.395 -21.349 -1.900 1.00 6.94 C -ANISOU 271 CB ASN A 33 974 979 683 -246 132 -142 C -ATOM 272 CG ASN A 33 33.235 -22.574 -2.043 1.00 7.20 C -ANISOU 272 CG ASN A 33 988 1063 684 -193 164 -99 C -ATOM 273 OD1 ASN A 33 33.267 -23.417 -1.149 1.00 7.90 O -ANISOU 273 OD1 ASN A 33 1107 1205 692 -83 82 70 O -ATOM 274 ND2 ASN A 33 33.905 -22.708 -3.173 1.00 7.87 N -ANISOU 274 ND2 ASN A 33 1069 1232 688 -20 243 -181 N -ATOM 275 N THR A 34 29.109 -20.273 -2.353 1.00 7.08 N -ANISOU 275 N THR A 34 1047 888 756 -135 82 -180 N -ATOM 276 CA THR A 34 28.370 -19.020 -2.481 1.00 7.51 C -ANISOU 276 CA THR A 34 1098 913 842 -138 121 -38 C -ATOM 277 C THR A 34 27.312 -18.847 -1.406 1.00 7.68 C -ANISOU 277 C THR A 34 1054 959 907 -67 156 -89 C -ATOM 278 O THR A 34 26.725 -17.770 -1.298 1.00 9.00 O -ANISOU 278 O THR A 34 1328 1014 1076 50 273 -66 O -ATOM 279 CB THR A 34 27.682 -18.863 -3.852 1.00 7.94 C -ANISOU 279 CB THR A 34 1145 976 898 -200 217 69 C -ATOM 280 OG1 THR A 34 26.531 -19.707 -3.941 1.00 8.05 O -ANISOU 280 OG1 THR A 34 1049 1045 967 -43 161 -50 O -ATOM 281 CG2 THR A 34 28.629 -19.138 -4.999 1.00 8.50 C -ANISOU 281 CG2 THR A 34 1299 1018 911 -93 277 116 C -ATOM 282 N ARG A 35 27.047 -19.902 -0.640 1.00 7.58 N -ANISOU 282 N ARG A 35 975 1070 836 -51 133 -101 N -ATOM 283 CA ARG A 35 25.981 -19.910 0.345 1.00 7.71 C -ANISOU 283 CA ARG A 35 1002 1176 751 -91 92 -53 C -ATOM 284 C ARG A 35 26.532 -20.316 1.700 1.00 8.03 C -ANISOU 284 C ARG A 35 1030 1243 776 55 28 -243 C -ATOM 285 O ARG A 35 27.012 -21.434 1.878 1.00 9.36 O -ANISOU 285 O ARG A 35 1237 1411 909 137 -266 -442 O -ATOM 286 CB ARG A 35 24.856 -20.841 -0.097 1.00 7.56 C -ANISOU 286 CB ARG A 35 869 1366 638 -82 33 45 C -ATOM 287 CG ARG A 35 24.129 -20.311 -1.315 1.00 7.09 C -ANISOU 287 CG ARG A 35 875 1230 590 -106 30 152 C -ATOM 288 CD ARG A 35 23.139 -21.316 -1.848 1.00 7.06 C -ANISOU 288 CD ARG A 35 939 1181 564 -136 54 85 C -ATOM 289 NE ARG A 35 22.298 -20.790 -2.910 1.00 7.05 N -ANISOU 289 NE ARG A 35 915 1140 623 -7 62 53 N -ATOM 290 CZ ARG A 35 22.387 -21.085 -4.200 1.00 7.56 C -ANISOU 290 CZ ARG A 35 1031 1179 664 99 122 88 C -ATOM 291 NH1 ARG A 35 23.329 -21.881 -4.664 1.00 8.45 N -ANISOU 291 NH1 ARG A 35 1072 1452 686 195 159 120 N -ATOM 292 NH2 ARG A 35 21.492 -20.573 -5.026 1.00 8.79 N -ANISOU 292 NH2 ARG A 35 1222 1463 655 312 89 66 N -ATOM 293 N GLY A 36 26.489 -19.390 2.647 1.00 8.13 N -ANISOU 293 N GLY A 36 1103 1270 715 -74 146 -221 N -ATOM 294 CA GLY A 36 26.889 -19.685 4.002 1.00 8.10 C -ANISOU 294 CA GLY A 36 1160 1289 628 -122 211 -267 C -ATOM 295 C GLY A 36 28.298 -20.236 4.083 1.00 8.67 C -ANISOU 295 C GLY A 36 1142 1465 685 -285 128 -348 C -ATOM 296 O GLY A 36 29.219 -19.720 3.445 1.00 10.10 O -ANISOU 296 O GLY A 36 1184 1886 769 -343 26 -222 O -ATOM 297 N ASN A 37 28.472 -21.282 4.883 1.00 7.93 N -ANISOU 297 N ASN A 37 964 1411 639 -303 83 -354 N -ATOM 298 CA ASN A 37 29.747 -21.978 4.983 1.00 8.68 C -ANISOU 298 CA ASN A 37 992 1558 746 -185 -12 -425 C -ATOM 299 C ASN A 37 29.797 -23.220 4.101 1.00 8.05 C -ANISOU 299 C ASN A 37 1007 1391 662 -155 -4 -313 C -ATOM 300 O ASN A 37 30.547 -24.153 4.351 1.00 8.48 O -ANISOU 300 O ASN A 37 1136 1396 692 -3 -158 -291 O -ATOM 301 CB ASN A 37 30.052 -22.275 6.433 1.00 11.28 C -ANISOU 301 CB ASN A 37 1156 2070 1060 -86 -221 -684 C -ATOM 302 CG ASN A 37 30.380 -21.000 7.200 1.00 12.86 C -ANISOU 302 CG ASN A 37 1363 2146 1378 -400 -263 -728 C -ATOM 303 OD1 ASN A 37 31.316 -20.263 6.856 1.00 15.34 O -ANISOU 303 OD1 ASN A 37 1764 2482 1580 -368 -263 -962 O -ATOM 304 ND2 ASN A 37 29.623 -20.728 8.210 1.00 14.10 N -ANISOU 304 ND2 ASN A 37 1453 2452 1453 -107 -420 -825 N -ATOM 305 N GLY A 38 29.013 -23.180 3.042 1.00 7.25 N -ANISOU 305 N GLY A 38 981 1183 592 -58 -32 -303 N -ATOM 306 CA GLY A 38 29.077 -24.133 1.963 1.00 6.81 C -ANISOU 306 CA GLY A 38 939 1161 485 -98 14 -218 C -ATOM 307 C GLY A 38 27.937 -25.130 1.935 1.00 5.90 C -ANISOU 307 C GLY A 38 774 1088 378 -288 52 -43 C -ATOM 308 O GLY A 38 27.312 -25.444 2.956 1.00 6.88 O -ANISOU 308 O GLY A 38 978 1211 424 -202 97 -15 O -ATOM 309 N ILE A 39 27.701 -25.644 0.735 1.00 5.38 N -ANISOU 309 N ILE A 39 784 968 293 -136 0 -27 N -ATOM 310 CA ILE A 39 26.815 -26.775 0.471 1.00 5.14 C -ANISOU 310 CA ILE A 39 709 970 274 -175 -17 -23 C -ATOM 311 C ILE A 39 27.698 -27.821 -0.180 1.00 5.20 C -ANISOU 311 C ILE A 39 758 941 279 -200 6 39 C -ATOM 312 O ILE A 39 28.385 -27.531 -1.169 1.00 5.36 O -ANISOU 312 O ILE A 39 816 932 289 -120 103 58 O -ATOM 313 CB ILE A 39 25.617 -26.368 -0.419 1.00 5.39 C -ANISOU 313 CB ILE A 39 765 963 321 -210 -23 61 C -ATOM 314 CG1 ILE A 39 24.789 -25.299 0.296 1.00 6.91 C -ANISOU 314 CG1 ILE A 39 1062 1108 454 -44 -62 139 C -ATOM 315 CG2 ILE A 39 24.784 -27.585 -0.772 1.00 6.51 C -ANISOU 315 CG2 ILE A 39 834 1199 440 30 6 93 C -ATOM 316 CD1 ILE A 39 23.641 -24.755 -0.509 1.00 7.90 C -ANISOU 316 CD1 ILE A 39 1235 1204 564 -75 -89 97 C -ATOM 317 N PHE A 40 27.669 -29.023 0.379 1.00 5.12 N -ANISOU 317 N PHE A 40 745 940 259 -101 14 44 N -ATOM 318 CA PHE A 40 28.570 -30.103 0.016 1.00 5.05 C -ANISOU 318 CA PHE A 40 724 927 268 -62 -10 23 C -ATOM 319 C PHE A 40 27.735 -31.329 -0.313 1.00 5.03 C -ANISOU 319 C PHE A 40 823 859 227 -25 22 9 C -ATOM 320 O PHE A 40 26.914 -31.737 0.507 1.00 5.50 O -ANISOU 320 O PHE A 40 885 894 311 -154 139 39 O -ATOM 321 CB PHE A 40 29.488 -30.453 1.197 1.00 5.48 C -ANISOU 321 CB PHE A 40 798 1007 278 -18 -6 38 C -ATOM 322 CG PHE A 40 30.361 -29.327 1.683 1.00 6.45 C -ANISOU 322 CG PHE A 40 844 1251 354 -64 -116 -53 C -ATOM 323 CD1 PHE A 40 29.867 -28.326 2.491 1.00 7.27 C -ANISOU 323 CD1 PHE A 40 1037 1305 419 -55 -215 -101 C -ATOM 324 CD2 PHE A 40 31.695 -29.301 1.358 1.00 7.40 C -ANISOU 324 CD2 PHE A 40 990 1349 471 -121 -55 0 C -ATOM 325 CE1 PHE A 40 30.690 -27.303 2.947 1.00 8.11 C -ANISOU 325 CE1 PHE A 40 1245 1347 487 32 -141 -76 C -ATOM 326 CE2 PHE A 40 32.522 -28.279 1.823 1.00 8.30 C -ANISOU 326 CE2 PHE A 40 1130 1503 522 -272 -104 1 C -ATOM 327 CZ PHE A 40 32.005 -27.287 2.615 1.00 8.42 C -ANISOU 327 CZ PHE A 40 1270 1390 540 -99 -183 50 C -ATOM 328 N THR A 41 27.990 -31.946 -1.462 1.00 5.14 N -ANISOU 328 N THR A 41 726 922 305 -93 -13 103 N -ATOM 329 CA THR A 41 27.253 -33.126 -1.894 1.00 4.98 C -ANISOU 329 CA THR A 41 681 918 294 -170 -71 124 C -ATOM 330 C THR A 41 28.228 -34.275 -2.101 1.00 5.16 C -ANISOU 330 C THR A 41 725 937 299 -151 -5 141 C -ATOM 331 O THR A 41 29.282 -34.103 -2.711 1.00 5.57 O -ANISOU 331 O THR A 41 869 930 318 -64 79 153 O -ATOM 332 CB THR A 41 26.414 -32.807 -3.140 1.00 5.42 C -ANISOU 332 CB THR A 41 719 1001 339 -122 -96 103 C -ATOM 333 OG1 THR A 41 25.530 -31.727 -2.803 1.00 6.39 O -ANISOU 333 OG1 THR A 41 789 1175 465 13 13 228 O -ATOM 334 CG2 THR A 41 25.603 -34.003 -3.569 1.00 5.87 C -ANISOU 334 CG2 THR A 41 755 1067 410 6 -167 131 C -ATOM 335 N TYR A 42 27.838 -35.435 -1.571 1.00 5.24 N -ANISOU 335 N TYR A 42 784 916 290 -107 -37 141 N -ATOM 336 CA TYR A 42 28.678 -36.625 -1.451 1.00 5.55 C -ANISOU 336 CA TYR A 42 872 944 294 -28 -57 143 C -ATOM 337 C TYR A 42 28.070 -37.812 -2.183 1.00 5.39 C -ANISOU 337 C TYR A 42 858 895 294 -65 -49 159 C -ATOM 338 O TYR A 42 26.847 -37.922 -2.322 1.00 5.55 O -ANISOU 338 O TYR A 42 910 903 297 -56 -16 159 O -ATOM 339 CB TYR A 42 28.814 -37.027 0.035 1.00 5.15 C -ANISOU 339 CB TYR A 42 752 926 280 -89 -40 126 C -ATOM 340 CG TYR A 42 29.511 -36.021 0.905 1.00 5.55 C -ANISOU 340 CG TYR A 42 832 989 286 -9 -51 123 C -ATOM 341 CD1 TYR A 42 28.855 -34.882 1.345 1.00 5.93 C -ANISOU 341 CD1 TYR A 42 913 1029 312 -99 -74 123 C -ATOM 342 CD2 TYR A 42 30.829 -36.201 1.304 1.00 6.15 C -ANISOU 342 CD2 TYR A 42 849 1159 329 36 -77 96 C -ATOM 343 CE1 TYR A 42 29.478 -33.964 2.146 1.00 7.29 C -ANISOU 343 CE1 TYR A 42 1143 1240 388 -108 -138 145 C -ATOM 344 CE2 TYR A 42 31.458 -35.283 2.090 1.00 7.38 C -ANISOU 344 CE2 TYR A 42 898 1411 496 -163 -221 -37 C -ATOM 345 CZ TYR A 42 30.780 -34.153 2.501 1.00 7.81 C -ANISOU 345 CZ TYR A 42 1166 1284 518 -248 -206 -131 C -ATOM 346 OH TYR A 42 31.373 -33.198 3.293 1.00 9.98 O -ANISOU 346 OH TYR A 42 1416 1623 752 -311 -151 -309 O -ATOM 347 N ASP A 43 28.950 -38.722 -2.595 1.00 5.70 N -ANISOU 347 N ASP A 43 872 915 378 -21 -32 103 N -ATOM 348 CA ASP A 43 28.581 -39.991 -3.218 1.00 5.79 C -ANISOU 348 CA ASP A 43 966 845 391 -61 -11 129 C -ATOM 349 C ASP A 43 28.657 -41.097 -2.173 1.00 5.51 C -ANISOU 349 C ASP A 43 816 967 310 16 -35 60 C -ATOM 350 O ASP A 43 29.733 -41.384 -1.652 1.00 6.36 O -ANISOU 350 O ASP A 43 914 1102 400 37 16 132 O -ATOM 351 CB ASP A 43 29.559 -40.298 -4.353 1.00 6.98 C -ANISOU 351 CB ASP A 43 1328 879 447 -32 -28 168 C -ATOM 352 CG ASP A 43 29.141 -41.472 -5.222 1.00 8.49 C -ANISOU 352 CG ASP A 43 1639 1039 548 -176 164 210 C -ATOM 353 OD1 ASP A 43 28.065 -42.058 -4.974 1.00 8.65 O -ANISOU 353 OD1 ASP A 43 1704 1039 542 -206 -125 223 O -ATOM 354 OD2 ASP A 43 29.932 -41.790 -6.156 1.00 10.58 O -ANISOU 354 OD2 ASP A 43 2138 1249 631 -190 264 98 O -ATOM 355 N ALA A 44 27.518 -41.707 -1.861 1.00 5.10 N -ANISOU 355 N ALA A 44 781 827 330 -21 -39 140 N -ATOM 356 CA ALA A 44 27.495 -42.871 -0.980 1.00 5.35 C -ANISOU 356 CA ALA A 44 864 849 321 -25 17 218 C -ATOM 357 C ALA A 44 27.713 -44.210 -1.711 1.00 5.15 C -ANISOU 357 C ALA A 44 821 817 320 -75 62 200 C -ATOM 358 O ALA A 44 27.829 -45.248 -1.065 1.00 5.52 O -ANISOU 358 O ALA A 44 922 856 320 -25 66 211 O -ATOM 359 CB ALA A 44 26.223 -42.917 -0.171 1.00 5.99 C -ANISOU 359 CB ALA A 44 996 957 325 107 7 81 C -ATOM 360 N LYS A 45 27.773 -44.190 -3.047 1.00 5.41 N -ANISOU 360 N LYS A 45 862 841 353 -39 37 180 N -ATOM 361 CA LYS A 45 28.274 -45.332 -3.840 1.00 6.38 C -ANISOU 361 CA LYS A 45 908 969 546 0 123 53 C -ATOM 362 C LYS A 45 27.482 -46.614 -3.632 1.00 5.85 C -ANISOU 362 C LYS A 45 892 830 502 26 156 90 C -ATOM 363 O LYS A 45 28.046 -47.706 -3.682 1.00 6.42 O -ANISOU 363 O LYS A 45 964 849 628 84 171 152 O -ATOM 364 CB LYS A 45 29.766 -45.569 -3.587 1.00 8.58 C -ANISOU 364 CB LYS A 45 1021 1241 999 36 222 -51 C -ATOM 365 CG LYS A 45 30.568 -44.313 -3.651 1.00 10.58 C -ANISOU 365 CG LYS A 45 1027 1629 1363 28 277 -240 C -ATOM 366 CD LYS A 45 32.042 -44.529 -3.425 1.00 11.45 C -ANISOU 366 CD LYS A 45 939 1723 1687 -157 353 -451 C -ATOM 367 CE LYS A 45 32.708 -43.199 -3.483 1.00 12.66 C -ANISOU 367 CE LYS A 45 962 1805 2041 -54 388 -540 C -ATOM 368 NZ LYS A 45 34.133 -43.269 -3.302 1.00 13.17 N -ANISOU 368 NZ LYS A 45 1014 1715 2276 -45 309 -712 N -ATOM 369 N TYR A 46 26.177 -46.470 -3.405 1.00 5.73 N -ANISOU 369 N TYR A 46 891 870 417 31 112 75 N -ATOM 370 CA TYR A 46 25.243 -47.570 -3.190 1.00 6.06 C -ANISOU 370 CA TYR A 46 898 930 475 -77 63 -13 C -ATOM 371 C TYR A 46 25.426 -48.263 -1.853 1.00 6.07 C -ANISOU 371 C TYR A 46 960 858 490 -15 141 109 C -ATOM 372 O TYR A 46 24.791 -49.286 -1.601 1.00 6.63 O -ANISOU 372 O TYR A 46 1035 887 597 17 123 166 O -ATOM 373 CB TYR A 46 25.309 -48.616 -4.278 1.00 6.99 C -ANISOU 373 CB TYR A 46 1040 1061 553 -96 112 28 C -ATOM 374 CG TYR A 46 25.102 -48.110 -5.689 1.00 8.02 C -ANISOU 374 CG TYR A 46 1159 1309 578 -90 66 17 C -ATOM 375 CD1 TYR A 46 24.108 -47.193 -6.010 1.00 9.12 C -ANISOU 375 CD1 TYR A 46 1472 1399 594 45 -139 -40 C -ATOM 376 CD2 TYR A 46 25.896 -48.590 -6.716 1.00 10.58 C -ANISOU 376 CD2 TYR A 46 1451 1941 628 231 138 98 C -ATOM 377 CE1 TYR A 46 23.915 -46.784 -7.312 1.00 10.29 C -ANISOU 377 CE1 TYR A 46 1673 1586 649 27 -206 -73 C -ATOM 378 CE2 TYR A 46 25.725 -48.177 -8.004 1.00 11.45 C -ANISOU 378 CE2 TYR A 46 1636 2129 587 35 74 82 C -ATOM 379 CZ TYR A 46 24.732 -47.275 -8.302 1.00 10.21 C -ANISOU 379 CZ TYR A 46 1705 1604 572 -284 -118 119 C -ATOM 380 OH TYR A 46 24.525 -46.862 -9.601 1.00 11.94 O -ANISOU 380 OH TYR A 46 2016 1843 678 -281 -283 135 O -ATOM 381 N ARG A 47 26.259 -47.703 -0.986 1.00 6.22 N -ANISOU 381 N ARG A 47 1082 808 474 3 155 279 N -ATOM 382 CA ARG A 47 26.466 -48.255 0.342 1.00 6.58 C -ANISOU 382 CA ARG A 47 1024 963 513 134 118 279 C -ATOM 383 C ARG A 47 25.815 -47.367 1.393 1.00 6.11 C -ANISOU 383 C ARG A 47 842 1026 455 -26 58 249 C -ATOM 384 O ARG A 47 25.129 -46.398 1.061 1.00 6.12 O -ANISOU 384 O ARG A 47 865 1049 411 81 103 268 O -ATOM 385 CB ARG A 47 27.943 -48.517 0.574 1.00 8.62 C -ANISOU 385 CB ARG A 47 1203 1427 646 221 249 294 C -ATOM 386 CG ARG A 47 28.442 -49.588 -0.423 1.00 9.84 C -ANISOU 386 CG ARG A 47 1497 1499 744 201 184 183 C -ATOM 387 CD ARG A 47 29.873 -49.981 -0.202 1.00 9.47 C -ANISOU 387 CD ARG A 47 1558 1277 763 316 90 109 C -ATOM 388 NE ARG A 47 30.032 -50.677 1.064 1.00 9.09 N -ANISOU 388 NE ARG A 47 1377 1371 705 277 63 86 N -ATOM 389 CZ ARG A 47 30.052 -51.995 1.202 1.00 8.68 C -ANISOU 389 CZ ARG A 47 1292 1375 631 182 -2 29 C -ATOM 390 NH1 ARG A 47 29.959 -52.794 0.155 1.00 8.98 N -ANISOU 390 NH1 ARG A 47 1387 1407 619 72 17 40 N -ATOM 391 NH2 ARG A 47 30.161 -52.511 2.394 1.00 8.45 N -ANISOU 391 NH2 ARG A 47 1381 1261 568 252 72 -3 N -ATOM 392 N THR A 48 25.985 -47.727 2.661 1.00 6.62 N -ANISOU 392 N THR A 48 807 1234 472 105 155 280 N -ATOM 393 CA THR A 48 25.276 -47.064 3.735 1.00 7.16 C -ANISOU 393 CA THR A 48 693 1510 519 -10 98 294 C -ATOM 394 C THR A 48 26.215 -46.381 4.726 1.00 7.11 C -ANISOU 394 C THR A 48 856 1360 487 92 142 283 C -ATOM 395 O THR A 48 25.776 -45.859 5.750 1.00 7.59 O -ANISOU 395 O THR A 48 953 1411 522 98 226 249 O -ATOM 396 CB THR A 48 24.322 -48.025 4.444 1.00 9.07 C -ANISOU 396 CB THR A 48 955 1904 586 -120 -40 307 C -ATOM 397 OG1 THR A 48 25.072 -49.153 4.924 1.00 10.18 O -ANISOU 397 OG1 THR A 48 1169 1946 751 -108 -69 530 O -ATOM 398 CG2 THR A 48 23.244 -48.487 3.491 1.00 9.55 C -ANISOU 398 CG2 THR A 48 1068 1967 594 -209 0 263 C -ATOM 399 N THR A 49 27.505 -46.336 4.405 1.00 7.06 N -ANISOU 399 N THR A 49 934 1289 458 36 31 85 N -ATOM 400 CA ATHR A 49 28.437 -45.590 5.218 0.47 7.30 C -ANISOU 400 CA ATHR A 49 999 1331 442 -10 -5 155 C -ATOM 401 CA BTHR A 49 28.484 -45.578 5.166 0.53 7.72 C -ANISOU 401 CA BTHR A 49 1038 1395 499 39 37 119 C -ATOM 402 C THR A 49 28.352 -44.115 4.783 1.00 7.41 C -ANISOU 402 C THR A 49 1141 1272 404 -103 38 216 C -ATOM 403 O THR A 49 28.332 -43.782 3.596 1.00 9.21 O -ANISOU 403 O THR A 49 1623 1407 470 -47 104 205 O -ATOM 404 CB ATHR A 49 29.849 -46.207 5.133 0.47 8.09 C -ANISOU 404 CB ATHR A 49 1032 1525 516 30 -118 93 C -ATOM 405 CB BTHR A 49 29.897 -46.075 4.841 0.53 9.32 C -ANISOU 405 CB BTHR A 49 1137 1709 694 166 19 -4 C -ATOM 406 OG1ATHR A 49 30.243 -46.324 3.774 0.47 8.50 O -ANISOU 406 OG1ATHR A 49 1061 1638 532 184 -67 158 O -ATOM 407 OG1BTHR A 49 30.012 -47.427 5.283 0.53 9.39 O -ANISOU 407 OG1BTHR A 49 969 1845 752 321 58 -15 O -ATOM 408 CG2ATHR A 49 29.836 -47.601 5.685 0.47 8.08 C -ANISOU 408 CG2ATHR A 49 972 1587 510 11 -120 86 C -ATOM 409 CG2BTHR A 49 30.952 -45.218 5.522 0.53 10.13 C -ANISOU 409 CG2BTHR A 49 1279 1771 799 107 76 -94 C -ATOM 410 N LEU A 50 28.247 -43.232 5.766 1.00 6.64 N -ANISOU 410 N LEU A 50 934 1193 396 -46 -63 239 N -ATOM 411 CA LEU A 50 28.012 -41.817 5.514 1.00 6.81 C -ANISOU 411 CA LEU A 50 971 1201 417 -128 -30 258 C -ATOM 412 C LEU A 50 29.128 -40.966 6.080 1.00 7.49 C -ANISOU 412 C LEU A 50 932 1414 499 -257 -137 281 C -ATOM 413 O LEU A 50 29.667 -41.260 7.145 1.00 8.79 O -ANISOU 413 O LEU A 50 1133 1641 566 -183 -199 294 O -ATOM 414 CB LEU A 50 26.690 -41.392 6.144 1.00 6.50 C -ANISOU 414 CB LEU A 50 968 1132 371 -110 -38 197 C -ATOM 415 CG LEU A 50 25.446 -41.972 5.458 1.00 6.10 C -ANISOU 415 CG LEU A 50 958 1006 353 28 -8 231 C -ATOM 416 CD1 LEU A 50 24.188 -41.630 6.264 1.00 6.82 C -ANISOU 416 CD1 LEU A 50 1096 1085 411 105 73 255 C -ATOM 417 CD2 LEU A 50 25.317 -41.458 4.026 1.00 6.96 C -ANISOU 417 CD2 LEU A 50 1005 1252 386 -24 -32 215 C -ATOM 418 N PRO A 51 29.428 -39.849 5.414 1.00 7.33 N -ANISOU 418 N PRO A 51 959 1328 499 -271 -167 270 N -ATOM 419 CA PRO A 51 28.725 -39.326 4.230 1.00 7.46 C -ANISOU 419 CA PRO A 51 891 1377 566 -130 -21 400 C -ATOM 420 C PRO A 51 29.139 -39.951 2.906 1.00 6.61 C -ANISOU 420 C PRO A 51 782 1181 550 -140 -27 393 C -ATOM 421 O PRO A 51 28.476 -39.720 1.890 1.00 6.73 O -ANISOU 421 O PRO A 51 812 1282 465 75 -53 300 O -ATOM 422 CB PRO A 51 29.142 -37.852 4.219 1.00 8.11 C -ANISOU 422 CB PRO A 51 1063 1413 604 -250 -44 279 C -ATOM 423 CG PRO A 51 30.498 -37.854 4.845 1.00 8.58 C -ANISOU 423 CG PRO A 51 1244 1353 664 -296 -80 251 C -ATOM 424 CD PRO A 51 30.399 -38.884 5.947 1.00 8.30 C -ANISOU 424 CD PRO A 51 1167 1375 612 -256 -132 219 C -ATOM 425 N GLY A 52 30.227 -40.711 2.896 1.00 7.05 N -ANISOU 425 N GLY A 52 874 1243 563 -58 -92 348 N -ATOM 426 CA GLY A 52 30.813 -41.149 1.649 1.00 6.94 C -ANISOU 426 CA GLY A 52 976 1129 530 45 -64 238 C -ATOM 427 C GLY A 52 31.850 -40.152 1.184 1.00 7.31 C -ANISOU 427 C GLY A 52 963 1338 476 -208 -1 155 C -ATOM 428 O GLY A 52 32.464 -39.489 1.998 1.00 10.16 O -ANISOU 428 O GLY A 52 1339 1897 624 -471 57 103 O -ATOM 429 N SER A 53 32.052 -40.010 -0.114 1.00 7.07 N -ANISOU 429 N SER A 53 1135 1144 405 -102 39 240 N -ATOM 430 CA ASER A 53 33.127 -39.186 -0.665 0.65 6.97 C -ANISOU 430 CA ASER A 53 1104 1116 427 -131 -11 243 C -ATOM 431 CA BSER A 53 33.132 -39.140 -0.571 0.35 6.97 C -ANISOU 431 CA BSER A 53 1110 1122 416 -73 -24 163 C -ATOM 432 C SER A 53 32.577 -37.888 -1.233 1.00 6.40 C -ANISOU 432 C SER A 53 1012 1043 376 -29 -44 108 C -ATOM 433 O SER A 53 31.590 -37.913 -1.973 1.00 6.50 O -ANISOU 433 O SER A 53 880 1158 432 -90 21 115 O -ATOM 434 CB ASER A 53 33.786 -39.941 -1.806 0.65 8.52 C -ANISOU 434 CB ASER A 53 1368 1302 566 50 -32 250 C -ATOM 435 CB BSER A 53 34.142 -39.873 -1.473 0.35 7.98 C -ANISOU 435 CB BSER A 53 1262 1256 515 87 -59 86 C -ATOM 436 OG ASER A 53 34.192 -41.225 -1.382 0.65 9.73 O -ANISOU 436 OG ASER A 53 1494 1480 723 273 103 328 O -ATOM 437 OG BSER A 53 33.547 -40.425 -2.628 0.35 8.04 O -ANISOU 437 OG BSER A 53 1165 1297 592 59 -121 -34 O -ATOM 438 N LEU A 54 33.208 -36.768 -0.930 1.00 6.15 N -ANISOU 438 N LEU A 54 927 1063 347 -92 -159 70 N -ATOM 439 CA LEU A 54 32.797 -35.513 -1.539 1.00 5.39 C -ANISOU 439 CA LEU A 54 827 910 312 -104 -104 16 C -ATOM 440 C LEU A 54 32.816 -35.690 -3.053 1.00 5.69 C -ANISOU 440 C LEU A 54 899 923 340 29 -96 -5 C -ATOM 441 O LEU A 54 33.790 -36.191 -3.617 1.00 6.58 O -ANISOU 441 O LEU A 54 951 1129 421 160 -35 47 O -ATOM 442 CB LEU A 54 33.712 -34.368 -1.105 1.00 6.42 C -ANISOU 442 CB LEU A 54 910 1144 386 -93 -63 7 C -ATOM 443 CG LEU A 54 33.276 -32.986 -1.582 1.00 6.98 C -ANISOU 443 CG LEU A 54 1022 1169 459 -164 -112 15 C -ATOM 444 CD1 LEU A 54 31.944 -32.587 -0.966 1.00 7.47 C -ANISOU 444 CD1 LEU A 54 1159 1212 466 9 -58 27 C -ATOM 445 CD2 LEU A 54 34.352 -31.961 -1.249 1.00 8.20 C -ANISOU 445 CD2 LEU A 54 1220 1336 561 -117 -154 -48 C -ATOM 446 N TRP A 55 31.751 -35.283 -3.724 1.00 5.79 N -ANISOU 446 N TRP A 55 927 974 299 81 -40 133 N -ATOM 447 CA TRP A 55 31.597 -35.615 -5.134 1.00 5.62 C -ANISOU 447 CA TRP A 55 962 869 303 -35 -1 92 C -ATOM 448 C TRP A 55 32.633 -34.908 -5.979 1.00 6.63 C -ANISOU 448 C TRP A 55 1057 1045 417 69 58 119 C -ATOM 449 O TRP A 55 32.688 -33.689 -6.001 1.00 7.20 O -ANISOU 449 O TRP A 55 1144 974 619 35 244 95 O -ATOM 450 CB TRP A 55 30.197 -35.218 -5.610 1.00 5.90 C -ANISOU 450 CB TRP A 55 988 924 330 -70 -54 50 C -ATOM 451 CG TRP A 55 29.839 -35.799 -6.920 1.00 6.05 C -ANISOU 451 CG TRP A 55 968 999 331 79 -93 35 C -ATOM 452 CD1 TRP A 55 30.333 -35.460 -8.150 1.00 5.57 C -ANISOU 452 CD1 TRP A 55 972 790 353 -32 -102 42 C -ATOM 453 CD2 TRP A 55 28.934 -36.881 -7.139 1.00 5.70 C -ANISOU 453 CD2 TRP A 55 954 929 284 12 -105 41 C -ATOM 454 NE1 TRP A 55 29.772 -36.257 -9.117 1.00 5.92 N -ANISOU 454 NE1 TRP A 55 998 970 280 6 -39 119 N -ATOM 455 CE2 TRP A 55 28.911 -37.137 -8.521 1.00 5.83 C -ANISOU 455 CE2 TRP A 55 979 972 263 -11 -59 37 C -ATOM 456 CE3 TRP A 55 28.134 -37.655 -6.304 1.00 6.74 C -ANISOU 456 CE3 TRP A 55 1120 1107 333 77 -86 91 C -ATOM 457 CZ2 TRP A 55 28.117 -38.133 -9.083 1.00 6.24 C -ANISOU 457 CZ2 TRP A 55 1059 1007 306 -43 -69 114 C -ATOM 458 CZ3 TRP A 55 27.365 -38.646 -6.848 1.00 6.73 C -ANISOU 458 CZ3 TRP A 55 1147 1083 328 -36 -54 57 C -ATOM 459 CH2 TRP A 55 27.344 -38.871 -8.229 1.00 6.67 C -ANISOU 459 CH2 TRP A 55 1188 1012 334 -88 -93 75 C -ATOM 460 N ALA A 56 33.421 -35.696 -6.696 1.00 6.42 N -ANISOU 460 N ALA A 56 1020 988 430 35 82 127 N -ATOM 461 CA ALA A 56 34.520 -35.221 -7.532 1.00 6.75 C -ANISOU 461 CA ALA A 56 1001 1159 405 51 69 186 C -ATOM 462 C ALA A 56 34.233 -35.548 -8.991 1.00 7.23 C -ANISOU 462 C ALA A 56 1258 1060 430 24 89 139 C -ATOM 463 O ALA A 56 33.813 -36.664 -9.315 1.00 8.46 O -ANISOU 463 O ALA A 56 1483 1175 555 -54 77 197 O -ATOM 464 CB ALA A 56 35.812 -35.896 -7.105 1.00 7.81 C -ANISOU 464 CB ALA A 56 964 1487 515 30 131 246 C -ATOM 465 N ASP A 57 34.512 -34.598 -9.872 1.00 6.99 N -ANISOU 465 N ASP A 57 1287 943 424 4 21 56 N -ATOM 466 CA ASP A 57 34.261 -34.743 -11.298 1.00 7.23 C -ANISOU 466 CA ASP A 57 1254 1092 403 76 22 32 C -ATOM 467 C ASP A 57 35.420 -34.127 -12.076 1.00 7.08 C -ANISOU 467 C ASP A 57 1237 1089 364 101 87 24 C -ATOM 468 O ASP A 57 35.898 -33.051 -11.747 1.00 7.71 O -ANISOU 468 O ASP A 57 1313 1215 403 -38 102 -51 O -ATOM 469 CB ASP A 57 32.954 -34.048 -11.659 1.00 7.00 C -ANISOU 469 CB ASP A 57 1210 1029 419 -11 57 88 C -ATOM 470 CG ASP A 57 32.569 -34.252 -13.104 1.00 6.85 C -ANISOU 470 CG ASP A 57 1209 967 427 -41 125 144 C -ATOM 471 OD1 ASP A 57 31.893 -35.255 -13.423 1.00 7.47 O -ANISOU 471 OD1 ASP A 57 1295 1082 460 -55 102 29 O -ATOM 472 OD2 ASP A 57 32.967 -33.428 -13.949 1.00 7.26 O -ANISOU 472 OD2 ASP A 57 1311 1034 415 32 136 146 O -ATOM 473 N ALA A 58 35.856 -34.782 -13.137 1.00 7.20 N -ANISOU 473 N ALA A 58 1136 1156 444 145 133 33 N -ATOM 474 CA ALA A 58 37.049 -34.345 -13.835 1.00 8.00 C -ANISOU 474 CA ALA A 58 1174 1280 587 153 194 47 C -ATOM 475 C ALA A 58 36.867 -33.065 -14.646 1.00 7.76 C -ANISOU 475 C ALA A 58 1155 1242 552 -71 194 92 C -ATOM 476 O ALA A 58 37.816 -32.302 -14.786 1.00 9.08 O -ANISOU 476 O ALA A 58 1280 1454 714 71 101 166 O -ATOM 477 CB ALA A 58 37.567 -35.460 -14.726 1.00 9.01 C -ANISOU 477 CB ALA A 58 1266 1411 746 425 215 -1 C -ATOM 478 N ASP A 59 35.675 -32.826 -15.190 1.00 7.78 N -ANISOU 478 N ASP A 59 1122 1287 547 -100 210 51 N -ATOM 479 CA ASP A 59 35.519 -31.787 -16.199 1.00 7.51 C -ANISOU 479 CA ASP A 59 1179 1151 522 -21 259 72 C -ATOM 480 C ASP A 59 34.458 -30.720 -15.912 1.00 7.27 C -ANISOU 480 C ASP A 59 1184 1121 458 58 264 139 C -ATOM 481 O ASP A 59 34.250 -29.819 -16.732 1.00 7.98 O -ANISOU 481 O ASP A 59 1398 1215 418 97 132 146 O -ATOM 482 CB ASP A 59 35.324 -32.390 -17.602 1.00 8.30 C -ANISOU 482 CB ASP A 59 1301 1310 540 74 218 46 C -ATOM 483 CG ASP A 59 34.023 -33.133 -17.753 1.00 8.76 C -ANISOU 483 CG ASP A 59 1445 1321 563 54 168 -24 C -ATOM 484 OD1 ASP A 59 33.237 -33.173 -16.789 1.00 7.92 O -ANISOU 484 OD1 ASP A 59 1205 1317 485 87 180 77 O -ATOM 485 OD2 ASP A 59 33.779 -33.692 -18.842 1.00 10.56 O -ANISOU 485 OD2 ASP A 59 1658 1679 677 -188 231 -33 O -ATOM 486 N ASN A 60 33.817 -30.780 -14.747 1.00 7.02 N -ANISOU 486 N ASN A 60 1189 1029 451 56 195 77 N -ATOM 487 CA ASN A 60 32.789 -29.799 -14.382 1.00 7.60 C -ANISOU 487 CA ASN A 60 1205 1167 513 21 134 65 C -ATOM 488 C ASN A 60 31.512 -29.891 -15.199 1.00 7.37 C -ANISOU 488 C ASN A 60 1232 1117 450 44 122 68 C -ATOM 489 O ASN A 60 30.702 -28.977 -15.176 1.00 8.01 O -ANISOU 489 O ASN A 60 1298 1129 617 104 39 -6 O -ATOM 490 CB ASN A 60 33.357 -28.370 -14.432 1.00 7.80 C -ANISOU 490 CB ASN A 60 1240 1084 641 37 74 178 C -ATOM 491 CG ASN A 60 32.828 -27.473 -13.311 1.00 7.65 C -ANISOU 491 CG ASN A 60 1168 1045 692 71 -15 215 C -ATOM 492 OD1 ASN A 60 32.278 -27.918 -12.288 1.00 7.43 O -ANISOU 492 OD1 ASN A 60 1131 999 694 165 45 2 O -ATOM 493 ND2 ASN A 60 32.980 -26.183 -13.515 1.00 8.64 N -ANISOU 493 ND2 ASN A 60 1323 1112 849 191 76 180 N -ATOM 494 N GLN A 61 31.340 -31.009 -15.896 1.00 7.30 N -ANISOU 494 N GLN A 61 1198 1147 428 58 109 126 N -ATOM 495 CA AGLN A 61 30.127 -31.303 -16.646 0.58 7.61 C -ANISOU 495 CA AGLN A 61 1249 1214 427 -40 65 92 C -ATOM 496 CA BGLN A 61 30.122 -31.297 -16.638 0.42 7.90 C -ANISOU 496 CA BGLN A 61 1285 1274 441 -7 82 68 C -ATOM 497 C GLN A 61 29.474 -32.519 -16.007 1.00 6.84 C -ANISOU 497 C GLN A 61 1134 1125 340 -62 71 50 C -ATOM 498 O GLN A 61 30.131 -33.544 -15.784 1.00 7.31 O -ANISOU 498 O GLN A 61 1196 1197 386 31 65 37 O -ATOM 499 CB AGLN A 61 30.456 -31.608 -18.108 0.58 9.80 C -ANISOU 499 CB AGLN A 61 1589 1550 587 62 115 255 C -ATOM 500 CB BGLN A 61 30.432 -31.570 -18.109 0.42 10.32 C -ANISOU 500 CB BGLN A 61 1642 1672 608 100 137 135 C -ATOM 501 CG AGLN A 61 31.453 -30.647 -18.732 0.58 12.84 C -ANISOU 501 CG AGLN A 61 2021 2009 849 266 150 342 C -ATOM 502 CG BGLN A 61 31.178 -30.444 -18.807 0.42 13.25 C -ANISOU 502 CG BGLN A 61 2064 2136 835 250 181 158 C -ATOM 503 CD AGLN A 61 30.992 -29.221 -18.672 0.58 16.04 C -ANISOU 503 CD AGLN A 61 2452 2542 1101 560 112 463 C -ATOM 504 CD BGLN A 61 31.411 -30.731 -20.272 0.42 16.46 C -ANISOU 504 CD BGLN A 61 2506 2691 1059 405 178 199 C -ATOM 505 OE1AGLN A 61 29.934 -28.884 -19.185 0.58 17.61 O -ANISOU 505 OE1AGLN A 61 2646 2809 1236 763 134 724 O -ATOM 506 OE1BGLN A 61 30.564 -31.329 -20.944 0.42 18.03 O -ANISOU 506 OE1BGLN A 61 2788 2925 1137 530 194 245 O -ATOM 507 NE2AGLN A 61 31.793 -28.363 -18.040 0.58 16.90 N -ANISOU 507 NE2AGLN A 61 2634 2609 1177 630 97 354 N -ATOM 508 NE2BGLN A 61 32.561 -30.307 -20.781 0.42 17.29 N -ANISOU 508 NE2BGLN A 61 2584 2836 1147 435 205 236 N -ATOM 509 N PHE A 62 28.180 -32.425 -15.729 1.00 6.56 N -ANISOU 509 N PHE A 62 1059 1107 326 33 56 146 N -ATOM 510 CA PHE A 62 27.492 -33.428 -14.929 1.00 6.77 C -ANISOU 510 CA PHE A 62 1123 1136 313 12 77 83 C -ATOM 511 C PHE A 62 26.259 -33.949 -15.655 1.00 7.24 C -ANISOU 511 C PHE A 62 1225 1198 329 -35 56 66 C -ATOM 512 O PHE A 62 25.141 -33.827 -15.166 1.00 7.43 O -ANISOU 512 O PHE A 62 1185 1292 346 -62 -47 64 O -ATOM 513 CB PHE A 62 27.113 -32.831 -13.569 1.00 6.66 C -ANISOU 513 CB PHE A 62 1151 1076 306 45 7 58 C -ATOM 514 CG PHE A 62 28.292 -32.373 -12.724 1.00 6.65 C -ANISOU 514 CG PHE A 62 1160 1047 319 118 -40 -15 C -ATOM 515 CD1 PHE A 62 28.885 -31.136 -12.940 1.00 6.77 C -ANISOU 515 CD1 PHE A 62 1166 1063 345 55 61 -9 C -ATOM 516 CD2 PHE A 62 28.776 -33.165 -11.687 1.00 6.57 C -ANISOU 516 CD2 PHE A 62 1121 979 398 102 -92 -49 C -ATOM 517 CE1 PHE A 62 29.940 -30.716 -12.161 1.00 6.78 C -ANISOU 517 CE1 PHE A 62 1184 1014 377 54 166 78 C -ATOM 518 CE2 PHE A 62 29.832 -32.748 -10.914 1.00 7.07 C -ANISOU 518 CE2 PHE A 62 1162 1069 457 179 -97 -15 C -ATOM 519 CZ PHE A 62 30.405 -31.520 -11.140 1.00 7.14 C -ANISOU 519 CZ PHE A 62 1177 1079 456 83 16 -14 C -ATOM 520 N PHE A 63 26.500 -34.562 -16.816 1.00 7.79 N -ANISOU 520 N PHE A 63 1315 1301 343 11 -53 76 N -ATOM 521 CA PHE A 63 25.429 -35.056 -17.677 1.00 8.84 C -ANISOU 521 CA PHE A 63 1461 1480 419 -80 -144 31 C -ATOM 522 C PHE A 63 25.280 -36.568 -17.677 1.00 9.63 C -ANISOU 522 C PHE A 63 1644 1559 456 -78 -157 -36 C -ATOM 523 O PHE A 63 24.453 -37.099 -18.423 1.00 10.65 O -ANISOU 523 O PHE A 63 1879 1619 549 -233 -196 -40 O -ATOM 524 CB PHE A 63 25.631 -34.581 -19.125 1.00 9.83 C -ANISOU 524 CB PHE A 63 1553 1686 497 -177 -173 93 C -ATOM 525 CG PHE A 63 25.488 -33.100 -19.299 1.00 10.65 C -ANISOU 525 CG PHE A 63 1675 1719 651 -373 -267 286 C -ATOM 526 CD1 PHE A 63 24.248 -32.543 -19.530 1.00 11.76 C -ANISOU 526 CD1 PHE A 63 1860 1882 726 -146 -256 370 C -ATOM 527 CD2 PHE A 63 26.579 -32.257 -19.211 1.00 12.83 C -ANISOU 527 CD2 PHE A 63 1994 2005 877 -224 -366 275 C -ATOM 528 CE1 PHE A 63 24.105 -31.183 -19.689 1.00 12.51 C -ANISOU 528 CE1 PHE A 63 2015 1901 836 -82 -303 351 C -ATOM 529 CE2 PHE A 63 26.435 -30.883 -19.379 1.00 13.28 C -ANISOU 529 CE2 PHE A 63 2099 1975 972 -257 -413 226 C -ATOM 530 CZ PHE A 63 25.197 -30.348 -19.627 1.00 13.24 C -ANISOU 530 CZ PHE A 63 2173 1909 949 -17 -388 274 C -ATOM 531 N ALA A 64 26.083 -37.281 -16.894 1.00 8.94 N -ANISOU 531 N ALA A 64 1633 1336 428 -112 -49 -17 N -ATOM 532 CA ALA A 64 25.944 -38.738 -16.813 1.00 9.82 C -ANISOU 532 CA ALA A 64 1922 1293 515 -114 -101 -94 C -ATOM 533 C ALA A 64 24.727 -39.096 -15.983 1.00 9.61 C -ANISOU 533 C ALA A 64 1887 1240 526 -226 -137 -55 C -ATOM 534 O ALA A 64 24.344 -38.364 -15.074 1.00 9.32 O -ANISOU 534 O ALA A 64 1832 1225 482 -127 -85 -44 O -ATOM 535 CB ALA A 64 27.190 -39.363 -16.199 1.00 10.54 C -ANISOU 535 CB ALA A 64 2082 1351 570 54 -76 -173 C -ATOM 536 N SER A 65 24.114 -40.229 -16.262 1.00 10.53 N -ANISOU 536 N SER A 65 1925 1480 595 -247 -152 -212 N -ATOM 537 CA ASER A 65 22.967 -40.686 -15.495 0.40 11.15 C -ANISOU 537 CA ASER A 65 1996 1633 609 -323 -155 -160 C -ATOM 538 CA BSER A 65 22.952 -40.638 -15.494 0.33 10.74 C -ANISOU 538 CA BSER A 65 1944 1530 605 -344 -131 -180 C -ATOM 539 CA CSER A 65 22.964 -40.674 -15.493 0.26 10.89 C -ANISOU 539 CA CSER A 65 1969 1564 605 -338 -98 -192 C -ATOM 540 C SER A 65 23.310 -40.733 -14.007 1.00 10.12 C -ANISOU 540 C SER A 65 1845 1435 566 -354 -82 -161 C -ATOM 541 O SER A 65 22.526 -40.323 -13.165 1.00 10.26 O -ANISOU 541 O SER A 65 1805 1471 622 -235 -80 -141 O -ATOM 542 CB ASER A 65 22.533 -42.068 -15.980 0.40 12.63 C -ANISOU 542 CB ASER A 65 2215 1934 649 -274 -174 -146 C -ATOM 543 CB BSER A 65 22.375 -41.956 -16.022 0.33 11.37 C -ANISOU 543 CB BSER A 65 2058 1621 640 -347 -108 -218 C -ATOM 544 CB CSER A 65 22.493 -42.044 -15.976 0.26 11.84 C -ANISOU 544 CB CSER A 65 2125 1728 646 -342 -16 -236 C -ATOM 545 OG ASER A 65 22.339 -42.064 -17.381 0.40 13.37 O -ANISOU 545 OG ASER A 65 2353 2044 682 -294 -196 -123 O -ATOM 546 OG BSER A 65 23.345 -42.984 -16.013 0.33 11.33 O -ANISOU 546 OG BSER A 65 2082 1550 671 -392 -93 -246 O -ATOM 547 OG CSER A 65 21.393 -42.487 -15.203 0.26 12.17 O -ANISOU 547 OG CSER A 65 2211 1728 686 -404 62 -263 O -ATOM 548 N TYR A 66 24.504 -41.241 -13.689 1.00 9.42 N -ANISOU 548 N TYR A 66 1755 1328 497 -247 13 -132 N -ATOM 549 CA TYR A 66 24.937 -41.379 -12.300 1.00 8.59 C -ANISOU 549 CA TYR A 66 1664 1155 444 -139 69 -70 C -ATOM 550 C TYR A 66 25.040 -40.016 -11.603 1.00 7.43 C -ANISOU 550 C TYR A 66 1386 1066 369 -138 19 -34 C -ATOM 551 O TYR A 66 24.914 -39.914 -10.380 1.00 7.50 O -ANISOU 551 O TYR A 66 1341 1161 349 -51 33 -34 O -ATOM 552 CB TYR A 66 26.281 -42.127 -12.234 1.00 9.35 C -ANISOU 552 CB TYR A 66 1782 1289 482 -64 109 -106 C -ATOM 553 CG TYR A 66 26.665 -42.587 -10.842 1.00 9.73 C -ANISOU 553 CG TYR A 66 1929 1210 559 35 89 -153 C -ATOM 554 CD1 TYR A 66 26.134 -43.748 -10.300 1.00 9.84 C -ANISOU 554 CD1 TYR A 66 2006 1126 607 -130 -9 -119 C -ATOM 555 CD2 TYR A 66 27.557 -41.863 -10.065 1.00 10.06 C -ANISOU 555 CD2 TYR A 66 1956 1208 659 -71 56 -213 C -ATOM 556 CE1 TYR A 66 26.471 -44.175 -9.030 1.00 10.39 C -ANISOU 556 CE1 TYR A 66 2189 1061 698 -51 -123 -93 C -ATOM 557 CE2 TYR A 66 27.907 -42.282 -8.788 1.00 10.57 C -ANISOU 557 CE2 TYR A 66 2113 1143 760 -92 -91 -228 C -ATOM 558 CZ TYR A 66 27.358 -43.436 -8.270 1.00 11.16 C -ANISOU 558 CZ TYR A 66 2376 1097 766 116 -248 -139 C -ATOM 559 OH TYR A 66 27.675 -43.871 -6.996 1.00 12.41 O -ANISOU 559 OH TYR A 66 2746 1061 908 167 -476 -150 O -ATOM 560 N ASP A 67 25.279 -38.957 -12.374 1.00 6.79 N -ANISOU 560 N ASP A 67 1237 1017 328 -79 48 -27 N -ATOM 561 CA ASP A 67 25.438 -37.608 -11.823 1.00 6.40 C -ANISOU 561 CA ASP A 67 1091 1045 297 -31 85 39 C -ATOM 562 C ASP A 67 24.107 -36.988 -11.416 1.00 6.15 C -ANISOU 562 C ASP A 67 1068 969 301 -117 54 35 C -ATOM 563 O ASP A 67 24.080 -36.088 -10.574 1.00 6.42 O -ANISOU 563 O ASP A 67 1121 1008 310 -93 6 -76 O -ATOM 564 CB ASP A 67 26.076 -36.661 -12.854 1.00 6.40 C -ANISOU 564 CB ASP A 67 1101 1004 329 -111 130 30 C -ATOM 565 CG ASP A 67 27.450 -37.084 -13.348 1.00 6.87 C -ANISOU 565 CG ASP A 67 1130 1124 355 -131 118 90 C -ATOM 566 OD1 ASP A 67 28.147 -37.843 -12.647 1.00 7.41 O -ANISOU 566 OD1 ASP A 67 1102 1320 391 -12 87 124 O -ATOM 567 OD2 ASP A 67 27.845 -36.582 -14.431 1.00 7.40 O -ANISOU 567 OD2 ASP A 67 1248 1179 385 -46 210 31 O -ATOM 568 N ALA A 68 23.013 -37.413 -12.043 1.00 6.89 N -ANISOU 568 N ALA A 68 1152 1161 306 -7 70 -6 N -ATOM 569 CA ALA A 68 21.757 -36.659 -11.931 1.00 6.92 C -ANISOU 569 CA ALA A 68 1098 1212 319 -54 -48 3 C -ATOM 570 C ALA A 68 21.253 -36.452 -10.490 1.00 6.17 C -ANISOU 570 C ALA A 68 898 1124 322 -136 -39 17 C -ATOM 571 O ALA A 68 20.851 -35.348 -10.140 1.00 6.67 O -ANISOU 571 O ALA A 68 1097 1051 384 -50 -102 67 O -ATOM 572 CB ALA A 68 20.663 -37.292 -12.805 1.00 7.93 C -ANISOU 572 CB ALA A 68 1268 1373 372 -29 -89 -93 C -ATOM 573 N PRO A 69 21.291 -37.490 -9.647 1.00 6.22 N -ANISOU 573 N PRO A 69 1037 1014 313 -81 -64 -121 N -ATOM 574 CA PRO A 69 20.798 -37.261 -8.279 1.00 6.04 C -ANISOU 574 CA PRO A 69 989 1001 303 -83 -107 -68 C -ATOM 575 C PRO A 69 21.666 -36.280 -7.498 1.00 5.89 C -ANISOU 575 C PRO A 69 1013 952 273 33 -19 -44 C -ATOM 576 O PRO A 69 21.175 -35.552 -6.643 1.00 5.68 O -ANISOU 576 O PRO A 69 946 940 271 -22 -50 -2 O -ATOM 577 CB PRO A 69 20.836 -38.661 -7.650 1.00 6.99 C -ANISOU 577 CB PRO A 69 1091 1129 436 -214 -166 -77 C -ATOM 578 CG PRO A 69 20.755 -39.600 -8.850 1.00 7.62 C -ANISOU 578 CG PRO A 69 1263 1173 460 -60 -50 -30 C -ATOM 579 CD PRO A 69 21.573 -38.913 -9.903 1.00 6.97 C -ANISOU 579 CD PRO A 69 1138 1118 392 -40 11 -28 C -ATOM 580 N ALA A 70 22.961 -36.254 -7.804 1.00 5.10 N -ANISOU 580 N ALA A 70 896 797 245 -55 -23 -54 N -ATOM 581 CA ALA A 70 23.874 -35.346 -7.143 1.00 5.79 C -ANISOU 581 CA ALA A 70 991 910 299 -67 -139 -28 C -ATOM 582 C ALA A 70 23.609 -33.910 -7.588 1.00 5.39 C -ANISOU 582 C ALA A 70 957 803 287 -104 -124 15 C -ATOM 583 O ALA A 70 23.582 -32.993 -6.766 1.00 5.82 O -ANISOU 583 O ALA A 70 1019 913 282 -60 -87 -2 O -ATOM 584 CB ALA A 70 25.305 -35.745 -7.435 1.00 6.41 C -ANISOU 584 CB ALA A 70 1117 960 357 -135 -22 39 C -ATOM 585 N VAL A 71 23.431 -33.693 -8.885 1.00 5.43 N -ANISOU 585 N VAL A 71 951 834 277 19 -97 46 N -ATOM 586 CA VAL A 71 23.102 -32.378 -9.419 1.00 5.45 C -ANISOU 586 CA VAL A 71 939 855 276 -38 -104 76 C -ATOM 587 C VAL A 71 21.897 -31.800 -8.685 1.00 5.59 C -ANISOU 587 C VAL A 71 986 852 285 -35 -98 85 C -ATOM 588 O VAL A 71 21.921 -30.659 -8.241 1.00 5.79 O -ANISOU 588 O VAL A 71 953 903 342 -50 -57 44 O -ATOM 589 CB VAL A 71 22.849 -32.477 -10.944 1.00 6.04 C -ANISOU 589 CB VAL A 71 1075 908 312 3 -143 41 C -ATOM 590 CG1 VAL A 71 22.214 -31.202 -11.481 1.00 6.85 C -ANISOU 590 CG1 VAL A 71 1148 1126 326 -5 -49 143 C -ATOM 591 CG2 VAL A 71 24.137 -32.775 -11.687 1.00 6.52 C -ANISOU 591 CG2 VAL A 71 1161 981 337 63 -90 118 C -ATOM 592 N ASP A 72 20.829 -32.579 -8.560 1.00 5.84 N -ANISOU 592 N ASP A 72 958 905 355 -106 -129 101 N -ATOM 593 CA ASP A 72 19.601 -32.063 -7.961 1.00 6.01 C -ANISOU 593 CA ASP A 72 872 1056 357 -70 -202 21 C -ATOM 594 C ASP A 72 19.713 -31.899 -6.443 1.00 5.20 C -ANISOU 594 C ASP A 72 757 932 288 -121 -98 90 C -ATOM 595 O ASP A 72 19.201 -30.925 -5.889 1.00 5.57 O -ANISOU 595 O ASP A 72 849 966 301 55 -37 53 O -ATOM 596 CB ASP A 72 18.408 -32.956 -8.313 1.00 6.29 C -ANISOU 596 CB ASP A 72 980 1078 334 -22 -167 90 C -ATOM 597 CG ASP A 72 17.866 -32.699 -9.711 1.00 6.79 C -ANISOU 597 CG ASP A 72 1079 1141 360 -89 -135 133 C -ATOM 598 OD1 ASP A 72 18.198 -31.650 -10.291 1.00 7.46 O -ANISOU 598 OD1 ASP A 72 1104 1309 420 -71 -137 206 O -ATOM 599 OD2 ASP A 72 17.104 -33.568 -10.188 1.00 7.65 O -ANISOU 599 OD2 ASP A 72 1217 1286 404 -123 -198 19 O -ATOM 600 N ALA A 73 20.359 -32.829 -5.746 1.00 5.06 N -ANISOU 600 N ALA A 73 786 871 266 21 -143 36 N -ATOM 601 CA ALA A 73 20.531 -32.646 -4.312 1.00 5.16 C -ANISOU 601 CA ALA A 73 799 892 269 -79 -113 38 C -ATOM 602 C ALA A 73 21.265 -31.333 -4.042 1.00 5.04 C -ANISOU 602 C ALA A 73 783 877 256 -35 -41 12 C -ATOM 603 O ALA A 73 20.925 -30.585 -3.126 1.00 5.17 O -ANISOU 603 O ALA A 73 851 868 248 -80 -45 23 O -ATOM 604 CB ALA A 73 21.285 -33.799 -3.694 1.00 5.63 C -ANISOU 604 CB ALA A 73 772 1050 316 -50 -100 17 C -ATOM 605 N HIS A 74 22.301 -31.087 -4.834 1.00 5.02 N -ANISOU 605 N HIS A 74 746 839 323 -98 -75 39 N -ATOM 606 CA HIS A 74 23.162 -29.927 -4.662 1.00 5.17 C -ANISOU 606 CA HIS A 74 754 891 321 -138 -102 17 C -ATOM 607 C HIS A 74 22.384 -28.646 -4.995 1.00 4.85 C -ANISOU 607 C HIS A 74 823 765 255 -123 -90 25 C -ATOM 608 O HIS A 74 22.355 -27.691 -4.216 1.00 5.36 O -ANISOU 608 O HIS A 74 841 897 298 -78 -82 33 O -ATOM 609 CB HIS A 74 24.365 -30.104 -5.595 1.00 5.17 C -ANISOU 609 CB HIS A 74 818 837 309 -32 -13 -4 C -ATOM 610 CG HIS A 74 25.522 -29.238 -5.258 1.00 5.33 C -ANISOU 610 CG HIS A 74 859 889 277 -9 -20 67 C -ATOM 611 ND1 HIS A 74 26.222 -29.366 -4.078 1.00 5.52 N -ANISOU 611 ND1 HIS A 74 899 908 288 -30 71 151 N -ATOM 612 CD2 HIS A 74 26.141 -28.273 -5.969 1.00 5.85 C -ANISOU 612 CD2 HIS A 74 920 974 329 -104 -11 47 C -ATOM 613 CE1 HIS A 74 27.212 -28.495 -4.071 1.00 5.16 C -ANISOU 613 CE1 HIS A 74 764 889 308 -177 45 134 C -ATOM 614 NE2 HIS A 74 27.184 -27.820 -5.204 1.00 5.40 N -ANISOU 614 NE2 HIS A 74 837 881 335 -215 43 59 N -ATOM 615 N TYR A 75 21.745 -28.641 -6.157 1.00 5.29 N -ANISOU 615 N TYR A 75 960 777 272 -44 -94 48 N -ATOM 616 CA TYR A 75 21.037 -27.464 -6.638 1.00 5.63 C -ANISOU 616 CA TYR A 75 864 971 302 -58 -112 81 C -ATOM 617 C TYR A 75 19.837 -27.132 -5.743 1.00 5.09 C -ANISOU 617 C TYR A 75 838 842 255 16 -106 92 C -ATOM 618 O TYR A 75 19.612 -25.980 -5.379 1.00 5.09 O -ANISOU 618 O TYR A 75 846 832 256 25 -61 123 O -ATOM 619 CB TYR A 75 20.600 -27.680 -8.088 1.00 6.31 C -ANISOU 619 CB TYR A 75 963 991 443 -52 -131 97 C -ATOM 620 CG TYR A 75 19.924 -26.473 -8.688 1.00 7.28 C -ANISOU 620 CG TYR A 75 1015 1185 566 9 -141 165 C -ATOM 621 CD1 TYR A 75 20.649 -25.528 -9.388 1.00 8.43 C -ANISOU 621 CD1 TYR A 75 1086 1347 770 -92 -142 298 C -ATOM 622 CD2 TYR A 75 18.558 -26.277 -8.550 1.00 8.07 C -ANISOU 622 CD2 TYR A 75 1080 1361 623 -14 -253 188 C -ATOM 623 CE1 TYR A 75 20.032 -24.415 -9.929 1.00 9.87 C -ANISOU 623 CE1 TYR A 75 1318 1492 940 77 -153 545 C -ATOM 624 CE2 TYR A 75 17.945 -25.173 -9.067 1.00 9.87 C -ANISOU 624 CE2 TYR A 75 1249 1652 849 184 -218 330 C -ATOM 625 CZ TYR A 75 18.680 -24.243 -9.754 1.00 10.98 C -ANISOU 625 CZ TYR A 75 1492 1640 1041 324 -301 491 C -ATOM 626 OH TYR A 75 18.054 -23.135 -10.273 1.00 14.44 O -ANISOU 626 OH TYR A 75 1971 2107 1407 621 -391 633 O -ATOM 627 N TYR A 76 19.030 -28.129 -5.402 1.00 4.92 N -ANISOU 627 N TYR A 76 797 800 272 20 -46 91 N -ATOM 628 CA TYR A 76 17.851 -27.870 -4.604 1.00 4.86 C -ANISOU 628 CA TYR A 76 747 846 255 31 -15 96 C -ATOM 629 C TYR A 76 18.192 -27.533 -3.144 1.00 4.76 C -ANISOU 629 C TYR A 76 735 844 228 -55 28 33 C -ATOM 630 O TYR A 76 17.439 -26.801 -2.494 1.00 5.39 O -ANISOU 630 O TYR A 76 813 943 293 58 89 33 O -ATOM 631 CB TYR A 76 16.843 -29.022 -4.685 1.00 5.36 C -ANISOU 631 CB TYR A 76 844 871 322 88 -158 124 C -ATOM 632 CG TYR A 76 16.217 -29.197 -6.053 1.00 5.69 C -ANISOU 632 CG TYR A 76 884 931 345 23 -174 166 C -ATOM 633 CD1 TYR A 76 15.892 -28.111 -6.858 1.00 6.05 C -ANISOU 633 CD1 TYR A 76 974 1004 323 -34 -163 94 C -ATOM 634 CD2 TYR A 76 15.959 -30.456 -6.542 1.00 5.94 C -ANISOU 634 CD2 TYR A 76 897 991 369 -72 -226 72 C -ATOM 635 CE1 TYR A 76 15.331 -28.290 -8.104 1.00 6.96 C -ANISOU 635 CE1 TYR A 76 1135 1142 369 40 -173 151 C -ATOM 636 CE2 TYR A 76 15.394 -30.655 -7.794 1.00 6.60 C -ANISOU 636 CE2 TYR A 76 989 1157 361 -56 -159 120 C -ATOM 637 CZ TYR A 76 15.094 -29.563 -8.579 1.00 7.11 C -ANISOU 637 CZ TYR A 76 1052 1253 395 -71 -209 63 C -ATOM 638 OH TYR A 76 14.549 -29.695 -9.837 1.00 8.48 O -ANISOU 638 OH TYR A 76 1087 1657 479 -80 -177 90 O -ATOM 639 N ALA A 77 19.320 -28.007 -2.624 1.00 4.96 N -ANISOU 639 N ALA A 77 836 826 222 -10 -44 -2 N -ATOM 640 CA ALA A 77 19.770 -27.515 -1.325 1.00 4.87 C -ANISOU 640 CA ALA A 77 799 816 236 -58 -36 11 C -ATOM 641 C ALA A 77 20.040 -26.012 -1.412 1.00 5.08 C -ANISOU 641 C ALA A 77 778 906 246 -57 -35 -10 C -ATOM 642 O ALA A 77 19.750 -25.278 -0.484 1.00 5.58 O -ANISOU 642 O ALA A 77 893 908 319 -24 -27 -38 O -ATOM 643 CB ALA A 77 21.010 -28.273 -0.848 1.00 5.21 C -ANISOU 643 CB ALA A 77 872 849 258 -89 -67 -43 C -ATOM 644 N GLY A 78 20.606 -25.555 -2.534 1.00 5.29 N -ANISOU 644 N GLY A 78 837 871 302 14 43 64 N -ATOM 645 CA GLY A 78 20.829 -24.130 -2.745 1.00 5.72 C -ANISOU 645 CA GLY A 78 867 919 387 -15 14 133 C -ATOM 646 C GLY A 78 19.543 -23.331 -2.770 1.00 5.57 C -ANISOU 646 C GLY A 78 891 772 452 -144 -31 95 C -ATOM 647 O GLY A 78 19.446 -22.266 -2.161 1.00 6.13 O -ANISOU 647 O GLY A 78 962 835 531 -140 -10 0 O -ATOM 648 N VAL A 79 18.535 -23.841 -3.473 1.00 5.65 N -ANISOU 648 N VAL A 79 861 890 396 -103 -41 40 N -ATOM 649 CA VAL A 79 17.253 -23.148 -3.514 1.00 6.18 C -ANISOU 649 CA VAL A 79 929 957 463 6 -128 18 C -ATOM 650 C VAL A 79 16.649 -23.057 -2.112 1.00 5.66 C -ANISOU 650 C VAL A 79 929 781 440 0 -158 -55 C -ATOM 651 O VAL A 79 16.093 -22.022 -1.726 1.00 6.40 O -ANISOU 651 O VAL A 79 984 920 527 -39 -82 36 O -ATOM 652 CB VAL A 79 16.252 -23.865 -4.451 1.00 6.70 C -ANISOU 652 CB VAL A 79 948 1116 481 31 -31 36 C -ATOM 653 CG1 VAL A 79 14.917 -23.149 -4.439 1.00 8.60 C -ANISOU 653 CG1 VAL A 79 1113 1546 610 323 -92 -50 C -ATOM 654 CG2 VAL A 79 16.778 -23.927 -5.896 1.00 7.16 C -ANISOU 654 CG2 VAL A 79 1048 1229 443 141 55 -55 C -ATOM 655 N THR A 80 16.741 -24.144 -1.360 1.00 5.23 N -ANISOU 655 N THR A 80 844 804 339 30 -13 80 N -ATOM 656 CA THR A 80 16.186 -24.179 -0.019 1.00 5.09 C -ANISOU 656 CA THR A 80 713 902 319 -67 31 82 C -ATOM 657 C THR A 80 16.915 -23.213 0.908 1.00 5.10 C -ANISOU 657 C THR A 80 689 872 379 -27 27 69 C -ATOM 658 O THR A 80 16.282 -22.493 1.678 1.00 5.66 O -ANISOU 658 O THR A 80 865 863 425 61 38 -19 O -ATOM 659 CB THR A 80 16.197 -25.617 0.539 1.00 5.58 C -ANISOU 659 CB THR A 80 900 906 315 -128 -28 -78 C -ATOM 660 OG1 THR A 80 15.492 -26.472 -0.358 1.00 6.05 O -ANISOU 660 OG1 THR A 80 913 1055 330 -178 40 -130 O -ATOM 661 CG2 THR A 80 15.512 -25.679 1.872 1.00 6.22 C -ANISOU 661 CG2 THR A 80 1039 1026 297 -73 9 67 C -ATOM 662 N TYR A 81 18.240 -23.158 0.810 1.00 5.47 N -ANISOU 662 N TYR A 81 694 945 437 -134 32 10 N -ATOM 663 CA TYR A 81 19.015 -22.173 1.550 1.00 5.79 C -ANISOU 663 CA TYR A 81 788 912 499 -55 34 52 C -ATOM 664 C TYR A 81 18.538 -20.767 1.208 1.00 5.80 C -ANISOU 664 C TYR A 81 896 813 495 -90 21 41 C -ATOM 665 O TYR A 81 18.346 -19.936 2.089 1.00 5.95 O -ANISOU 665 O TYR A 81 883 883 495 -59 49 -75 O -ATOM 666 CB TYR A 81 20.522 -22.339 1.219 1.00 5.70 C -ANISOU 666 CB TYR A 81 721 934 512 -53 41 56 C -ATOM 667 CG TYR A 81 21.384 -21.301 1.902 1.00 5.91 C -ANISOU 667 CG TYR A 81 757 1032 457 -77 -6 -19 C -ATOM 668 CD1 TYR A 81 21.494 -20.019 1.374 1.00 6.59 C -ANISOU 668 CD1 TYR A 81 1002 1068 434 -107 15 -24 C -ATOM 669 CD2 TYR A 81 22.054 -21.579 3.083 1.00 5.95 C -ANISOU 669 CD2 TYR A 81 901 934 426 -81 35 7 C -ATOM 670 CE1 TYR A 81 22.245 -19.037 2.015 1.00 6.51 C -ANISOU 670 CE1 TYR A 81 1023 988 462 -96 -78 -54 C -ATOM 671 CE2 TYR A 81 22.797 -20.602 3.737 1.00 6.26 C -ANISOU 671 CE2 TYR A 81 895 995 488 -86 -79 -120 C -ATOM 672 CZ TYR A 81 22.870 -19.331 3.196 1.00 6.52 C -ANISOU 672 CZ TYR A 81 962 960 553 -171 -129 -158 C -ATOM 673 OH TYR A 81 23.561 -18.339 3.831 1.00 7.44 O -ANISOU 673 OH TYR A 81 1060 1044 722 -116 -100 -191 O -ATOM 674 N ASP A 82 18.345 -20.501 -0.070 1.00 5.93 N -ANISOU 674 N ASP A 82 896 884 475 -79 27 69 N -ATOM 675 CA ASP A 82 17.923 -19.176 -0.507 1.00 6.22 C -ANISOU 675 CA ASP A 82 960 871 532 -74 109 135 C -ATOM 676 C ASP A 82 16.544 -18.830 0.047 1.00 6.23 C -ANISOU 676 C ASP A 82 984 812 573 -58 64 0 C -ATOM 677 O ASP A 82 16.291 -17.696 0.443 1.00 6.57 O -ANISOU 677 O ASP A 82 1097 751 647 -29 117 15 O -ATOM 678 CB ASP A 82 17.885 -19.072 -2.029 1.00 6.64 C -ANISOU 678 CB ASP A 82 1057 929 536 52 94 123 C -ATOM 679 CG ASP A 82 19.245 -19.082 -2.682 1.00 7.25 C -ANISOU 679 CG ASP A 82 1097 1078 580 52 17 48 C -ATOM 680 OD1 ASP A 82 20.284 -18.989 -1.975 1.00 7.43 O -ANISOU 680 OD1 ASP A 82 1082 966 777 20 7 -6 O -ATOM 681 OD2 ASP A 82 19.242 -19.191 -3.935 1.00 8.67 O -ANISOU 681 OD2 ASP A 82 1287 1374 633 89 74 78 O -ATOM 682 N TYR A 83 15.632 -19.789 0.049 1.00 5.95 N -ANISOU 682 N TYR A 83 900 827 532 7 0 -75 N -ATOM 683 CA TYR A 83 14.320 -19.561 0.609 1.00 5.99 C -ANISOU 683 CA TYR A 83 873 858 544 58 -4 -16 C -ATOM 684 C TYR A 83 14.431 -19.129 2.064 1.00 5.98 C -ANISOU 684 C TYR A 83 796 895 582 -25 -9 -76 C -ATOM 685 O TYR A 83 13.858 -18.114 2.483 1.00 6.39 O -ANISOU 685 O TYR A 83 928 880 621 29 66 -52 O -ATOM 686 CB TYR A 83 13.437 -20.821 0.462 1.00 5.89 C -ANISOU 686 CB TYR A 83 790 872 578 38 -36 0 C -ATOM 687 CG TYR A 83 12.139 -20.721 1.228 1.00 6.44 C -ANISOU 687 CG TYR A 83 852 998 596 -48 -45 -7 C -ATOM 688 CD1 TYR A 83 11.031 -20.051 0.695 1.00 6.92 C -ANISOU 688 CD1 TYR A 83 937 1091 599 -60 -47 -67 C -ATOM 689 CD2 TYR A 83 12.015 -21.263 2.496 1.00 6.76 C -ANISOU 689 CD2 TYR A 83 963 994 611 -81 -87 -89 C -ATOM 690 CE1 TYR A 83 9.857 -19.944 1.416 1.00 6.95 C -ANISOU 690 CE1 TYR A 83 900 1162 579 -42 19 -53 C -ATOM 691 CE2 TYR A 83 10.845 -21.137 3.225 1.00 6.79 C -ANISOU 691 CE2 TYR A 83 991 1055 533 -75 -92 -63 C -ATOM 692 CZ TYR A 83 9.769 -20.470 2.686 1.00 6.65 C -ANISOU 692 CZ TYR A 83 908 1045 573 -75 54 -21 C -ATOM 693 OH TYR A 83 8.624 -20.352 3.443 1.00 7.35 O -ANISOU 693 OH TYR A 83 943 1234 615 -121 -17 -39 O -ATOM 694 N TYR A 84 15.113 -19.927 2.876 1.00 6.03 N -ANISOU 694 N TYR A 84 906 848 536 35 -18 -54 N -ATOM 695 CA TYR A 84 15.181 -19.593 4.294 1.00 5.76 C -ANISOU 695 CA TYR A 84 877 789 525 -122 10 -37 C -ATOM 696 C TYR A 84 15.869 -18.237 4.535 1.00 6.32 C -ANISOU 696 C TYR A 84 938 846 618 -144 86 -25 C -ATOM 697 O TYR A 84 15.434 -17.467 5.387 1.00 6.93 O -ANISOU 697 O TYR A 84 972 973 687 -5 52 -152 O -ATOM 698 CB TYR A 84 15.832 -20.720 5.086 1.00 6.27 C -ANISOU 698 CB TYR A 84 944 916 523 -94 -32 7 C -ATOM 699 CG TYR A 84 14.852 -21.824 5.432 1.00 5.66 C -ANISOU 699 CG TYR A 84 841 796 514 -93 -74 -32 C -ATOM 700 CD1 TYR A 84 13.881 -21.622 6.398 1.00 6.18 C -ANISOU 700 CD1 TYR A 84 937 864 546 19 -22 -83 C -ATOM 701 CD2 TYR A 84 14.881 -23.055 4.779 1.00 5.79 C -ANISOU 701 CD2 TYR A 84 857 858 486 -93 -25 -34 C -ATOM 702 CE1 TYR A 84 12.985 -22.608 6.729 1.00 6.39 C -ANISOU 702 CE1 TYR A 84 900 927 602 -123 37 -94 C -ATOM 703 CE2 TYR A 84 13.977 -24.049 5.101 1.00 5.99 C -ANISOU 703 CE2 TYR A 84 895 896 485 -126 -20 -31 C -ATOM 704 CZ TYR A 84 13.011 -23.818 6.064 1.00 6.03 C -ANISOU 704 CZ TYR A 84 807 906 580 -215 -14 -22 C -ATOM 705 OH TYR A 84 12.089 -24.768 6.430 1.00 6.49 O -ANISOU 705 OH TYR A 84 826 949 691 -79 36 15 O -ATOM 706 N LYS A 85 16.925 -17.942 3.787 1.00 6.37 N -ANISOU 706 N LYS A 85 958 792 669 -161 93 18 N -ATOM 707 CA LYS A 85 17.646 -16.693 3.977 1.00 7.01 C -ANISOU 707 CA LYS A 85 981 877 805 -170 144 -31 C -ATOM 708 C LYS A 85 16.804 -15.506 3.502 1.00 7.82 C -ANISOU 708 C LYS A 85 1191 856 924 -100 114 -45 C -ATOM 709 O LYS A 85 16.649 -14.515 4.211 1.00 8.61 O -ANISOU 709 O LYS A 85 1376 878 1018 -11 37 -136 O -ATOM 710 CB LYS A 85 18.972 -16.726 3.222 1.00 7.40 C -ANISOU 710 CB LYS A 85 897 1008 906 -171 135 0 C -ATOM 711 CG LYS A 85 19.733 -15.406 3.279 1.00 8.99 C -ANISOU 711 CG LYS A 85 1137 1155 1125 -134 186 -31 C -ATOM 712 CD LYS A 85 21.169 -15.570 2.774 1.00 10.86 C -ANISOU 712 CD LYS A 85 1459 1291 1375 -282 268 -26 C -ATOM 713 CE LYS A 85 21.955 -14.276 2.877 1.00 13.50 C -ANISOU 713 CE LYS A 85 1785 1710 1634 -280 275 77 C -ATOM 714 NZ LYS A 85 21.504 -13.316 1.875 1.00 15.52 N -ANISOU 714 NZ LYS A 85 2144 1925 1830 -214 252 108 N -ATOM 715 N ASN A 86 16.271 -15.601 2.288 1.00 7.71 N -ANISOU 715 N ASN A 86 1218 782 930 -17 71 -48 N -ATOM 716 CA ASN A 86 15.589 -14.460 1.666 1.00 8.53 C -ANISOU 716 CA ASN A 86 1289 910 1042 -157 158 53 C -ATOM 717 C ASN A 86 14.207 -14.212 2.244 1.00 9.02 C -ANISOU 717 C ASN A 86 1310 926 1193 7 208 18 C -ATOM 718 O ASN A 86 13.787 -13.066 2.350 1.00 10.37 O -ANISOU 718 O ASN A 86 1444 988 1509 52 242 95 O -ATOM 719 CB ASN A 86 15.469 -14.667 0.149 1.00 10.06 C -ANISOU 719 CB ASN A 86 1404 1308 1111 -209 217 25 C -ATOM 720 CG ASN A 86 16.809 -14.666 -0.553 1.00 11.54 C -ANISOU 720 CG ASN A 86 1598 1583 1204 -255 328 77 C -ATOM 721 OD1 ASN A 86 17.781 -14.107 -0.059 1.00 13.19 O -ANISOU 721 OD1 ASN A 86 1670 2023 1318 -346 436 156 O -ATOM 722 ND2 ASN A 86 16.859 -15.279 -1.724 1.00 12.58 N -ANISOU 722 ND2 ASN A 86 1757 1769 1254 -96 388 57 N -ATOM 723 N VAL A 87 13.500 -15.278 2.602 1.00 7.76 N -ANISOU 723 N VAL A 87 1101 826 1020 -30 196 56 N -ATOM 724 CA VAL A 87 12.128 -15.167 3.063 1.00 7.97 C -ANISOU 724 CA VAL A 87 1133 946 950 7 128 72 C -ATOM 725 C VAL A 87 12.060 -15.024 4.584 1.00 8.23 C -ANISOU 725 C VAL A 87 1152 1040 937 65 80 27 C -ATOM 726 O VAL A 87 11.267 -14.232 5.074 1.00 9.78 O -ANISOU 726 O VAL A 87 1276 1406 1035 400 62 28 O -ATOM 727 CB VAL A 87 11.260 -16.337 2.543 1.00 7.88 C -ANISOU 727 CB VAL A 87 1058 1048 886 -60 -20 58 C -ATOM 728 CG1 VAL A 87 9.833 -16.218 3.068 1.00 8.62 C -ANISOU 728 CG1 VAL A 87 1137 1190 949 -98 -33 41 C -ATOM 729 CG2 VAL A 87 11.269 -16.347 1.023 1.00 8.48 C -ANISOU 729 CG2 VAL A 87 1208 1137 878 9 -146 131 C -ATOM 730 N HIS A 88 12.902 -15.747 5.316 1.00 7.87 N -ANISOU 730 N HIS A 88 1141 1003 847 57 86 9 N -ATOM 731 CA HIS A 88 12.807 -15.780 6.771 1.00 7.54 C -ANISOU 731 CA HIS A 88 1046 1088 731 -27 82 -129 C -ATOM 732 C HIS A 88 14.015 -15.225 7.499 1.00 7.81 C -ANISOU 732 C HIS A 88 1078 1135 755 -47 96 -257 C -ATOM 733 O HIS A 88 14.069 -15.259 8.724 1.00 8.34 O -ANISOU 733 O HIS A 88 1077 1358 731 -19 89 -301 O -ATOM 734 CB HIS A 88 12.525 -17.203 7.259 1.00 7.69 C -ANISOU 734 CB HIS A 88 1056 1214 651 -1 18 -216 C -ATOM 735 CG HIS A 88 11.261 -17.754 6.712 1.00 7.53 C -ANISOU 735 CG HIS A 88 1020 1213 627 -39 102 -104 C -ATOM 736 ND1 HIS A 88 10.035 -17.210 7.020 1.00 7.95 N -ANISOU 736 ND1 HIS A 88 1054 1267 700 24 201 3 N -ATOM 737 CD2 HIS A 88 11.030 -18.761 5.840 1.00 8.01 C -ANISOU 737 CD2 HIS A 88 1069 1310 663 -58 155 -38 C -ATOM 738 CE1 HIS A 88 9.096 -17.861 6.361 1.00 8.07 C -ANISOU 738 CE1 HIS A 88 924 1414 729 -59 181 -72 C -ATOM 739 NE2 HIS A 88 9.672 -18.802 5.631 1.00 7.96 N -ANISOU 739 NE2 HIS A 88 984 1338 703 -70 174 -85 N -ATOM 740 N ASN A 89 14.994 -14.717 6.757 1.00 7.79 N -ANISOU 740 N ASN A 89 1113 1017 830 -155 63 -266 N -ATOM 741 CA ASN A 89 16.229 -14.193 7.347 1.00 8.80 C -ANISOU 741 CA ASN A 89 1313 1057 972 -209 -15 -335 C -ATOM 742 C ASN A 89 16.903 -15.232 8.233 1.00 8.47 C -ANISOU 742 C ASN A 89 1156 1199 863 -265 -18 -270 C -ATOM 743 O ASN A 89 17.487 -14.897 9.267 1.00 9.42 O -ANISOU 743 O ASN A 89 1393 1212 973 -92 -190 -299 O -ATOM 744 CB ASN A 89 15.984 -12.888 8.128 1.00 11.47 C -ANISOU 744 CB ASN A 89 1691 1363 1303 -109 -163 -465 C -ATOM 745 CG ASN A 89 17.274 -12.139 8.418 1.00 14.77 C -ANISOU 745 CG ASN A 89 2153 1817 1644 -91 -102 -503 C -ATOM 746 OD1 ASN A 89 18.199 -12.146 7.609 1.00 15.98 O -ANISOU 746 OD1 ASN A 89 2279 1936 1857 -372 -123 -426 O -ATOM 747 ND2 ASN A 89 17.348 -11.510 9.576 1.00 15.67 N -ANISOU 747 ND2 ASN A 89 2280 1916 1760 -125 -184 -619 N -ATOM 748 N ARG A 90 16.871 -16.487 7.797 1.00 7.86 N -ANISOU 748 N ARG A 90 1062 1266 659 -216 -20 -272 N -ATOM 749 CA ARG A 90 17.523 -17.566 8.529 1.00 7.56 C -ANISOU 749 CA ARG A 90 990 1237 647 -161 112 -106 C -ATOM 750 C ARG A 90 18.699 -18.058 7.702 1.00 6.94 C -ANISOU 750 C ARG A 90 977 1095 567 -226 116 -127 C -ATOM 751 O ARG A 90 18.532 -18.394 6.524 1.00 7.06 O -ANISOU 751 O ARG A 90 1033 1142 508 -92 -24 -290 O -ATOM 752 CB ARG A 90 16.571 -18.740 8.765 1.00 7.44 C -ANISOU 752 CB ARG A 90 979 1161 688 -128 85 -31 C -ATOM 753 CG ARG A 90 17.195 -19.790 9.638 1.00 7.84 C -ANISOU 753 CG ARG A 90 1015 1203 760 -97 -53 -72 C -ATOM 754 CD ARG A 90 16.337 -21.043 9.829 1.00 7.37 C -ANISOU 754 CD ARG A 90 1018 1041 743 -168 -59 -113 C -ATOM 755 NE ARG A 90 16.950 -21.865 10.859 1.00 7.87 N -ANISOU 755 NE ARG A 90 1083 1170 738 -104 56 -63 N -ATOM 756 CZ ARG A 90 16.837 -21.630 12.159 1.00 7.87 C -ANISOU 756 CZ ARG A 90 982 1258 751 -101 148 -48 C -ATOM 757 NH1 ARG A 90 16.010 -20.692 12.595 1.00 8.73 N -ANISOU 757 NH1 ARG A 90 1002 1507 809 -84 138 80 N -ATOM 758 NH2 ARG A 90 17.556 -22.328 13.021 1.00 8.14 N -ANISOU 758 NH2 ARG A 90 883 1397 814 -71 139 -81 N -ATOM 759 N LEU A 91 19.874 -18.095 8.319 1.00 7.05 N -ANISOU 759 N LEU A 91 995 1108 574 -141 136 -141 N -ATOM 760 CA LEU A 91 21.114 -18.494 7.669 1.00 6.76 C -ANISOU 760 CA LEU A 91 946 1006 616 -174 96 -78 C -ATOM 761 C LEU A 91 21.384 -19.975 7.952 1.00 6.25 C -ANISOU 761 C LEU A 91 928 935 514 -150 25 -26 C -ATOM 762 O LEU A 91 21.864 -20.340 9.020 1.00 6.87 O -ANISOU 762 O LEU A 91 1031 1065 515 -33 -51 -166 O -ATOM 763 CB LEU A 91 22.246 -17.600 8.188 1.00 7.74 C -ANISOU 763 CB LEU A 91 1150 939 851 -226 168 -132 C -ATOM 764 CG LEU A 91 22.058 -16.106 7.939 1.00 9.45 C -ANISOU 764 CG LEU A 91 1424 1095 1070 -305 284 -45 C -ATOM 765 CD1 LEU A 91 23.201 -15.339 8.541 1.00 10.41 C -ANISOU 765 CD1 LEU A 91 1497 1257 1202 -356 269 -158 C -ATOM 766 CD2 LEU A 91 21.928 -15.826 6.437 1.00 10.79 C -ANISOU 766 CD2 LEU A 91 1808 1128 1165 -171 266 129 C -ATOM 767 N SER A 92 21.087 -20.807 6.956 1.00 6.11 N -ANISOU 767 N SER A 92 955 844 523 -191 -59 -74 N -ATOM 768 CA SER A 92 21.190 -22.251 7.046 1.00 6.29 C -ANISOU 768 CA SER A 92 929 938 524 -244 37 -108 C -ATOM 769 C SER A 92 20.295 -22.829 8.159 1.00 6.44 C -ANISOU 769 C SER A 92 906 926 615 -238 23 -164 C -ATOM 770 O SER A 92 19.444 -22.137 8.744 1.00 7.09 O -ANISOU 770 O SER A 92 944 1030 719 -116 142 -166 O -ATOM 771 CB SER A 92 22.646 -22.693 7.181 1.00 6.60 C -ANISOU 771 CB SER A 92 979 1007 522 -222 55 -92 C -ATOM 772 OG SER A 92 22.722 -24.083 6.944 1.00 6.78 O -ANISOU 772 OG SER A 92 949 1066 560 -44 31 -167 O -ATOM 773 N TYR A 93 20.419 -24.121 8.408 1.00 6.33 N -ANISOU 773 N TYR A 93 931 853 623 -156 28 -52 N -ATOM 774 CA TYR A 93 19.477 -24.782 9.288 1.00 6.70 C -ANISOU 774 CA TYR A 93 877 973 696 -233 86 -30 C -ATOM 775 C TYR A 93 19.656 -24.406 10.739 1.00 6.94 C -ANISOU 775 C TYR A 93 965 989 683 -214 126 -51 C -ATOM 776 O TYR A 93 18.689 -24.471 11.490 1.00 8.27 O -ANISOU 776 O TYR A 93 1074 1309 758 -213 255 -36 O -ATOM 777 CB TYR A 93 19.503 -26.301 9.111 1.00 7.99 C -ANISOU 777 CB TYR A 93 984 1133 918 -284 25 -128 C -ATOM 778 CG TYR A 93 20.858 -26.959 9.246 1.00 9.15 C -ANISOU 778 CG TYR A 93 1229 1116 1130 -107 56 -69 C -ATOM 779 CD1 TYR A 93 21.332 -27.384 10.462 1.00 10.05 C -ANISOU 779 CD1 TYR A 93 1345 1215 1256 6 -94 -117 C -ATOM 780 CD2 TYR A 93 21.655 -27.178 8.133 1.00 9.43 C -ANISOU 780 CD2 TYR A 93 1268 1130 1186 -63 97 67 C -ATOM 781 CE1 TYR A 93 22.575 -28.020 10.554 1.00 10.27 C -ANISOU 781 CE1 TYR A 93 1290 1340 1274 -34 -90 -87 C -ATOM 782 CE2 TYR A 93 22.852 -27.800 8.219 1.00 10.56 C -ANISOU 782 CE2 TYR A 93 1355 1374 1282 -47 26 65 C -ATOM 783 CZ TYR A 93 23.313 -28.210 9.415 1.00 10.26 C -ANISOU 783 CZ TYR A 93 1200 1421 1278 -175 -30 7 C -ATOM 784 OH TYR A 93 24.536 -28.847 9.446 1.00 12.07 O -ANISOU 784 OH TYR A 93 1291 1901 1393 67 103 -21 O -ATOM 785 N ASP A 94 20.873 -24.034 11.138 1.00 7.20 N -ANISOU 785 N ASP A 94 1039 1039 657 -188 160 -122 N -ATOM 786 CA ASP A 94 21.148 -23.679 12.522 1.00 8.39 C -ANISOU 786 CA ASP A 94 1237 1320 631 -196 143 9 C -ATOM 787 C ASP A 94 21.055 -22.173 12.777 1.00 8.60 C -ANISOU 787 C ASP A 94 1293 1336 638 -192 163 -100 C -ATOM 788 O ASP A 94 21.223 -21.735 13.915 1.00 10.17 O -ANISOU 788 O ASP A 94 1567 1624 675 -15 99 -277 O -ATOM 789 CB ASP A 94 22.517 -24.188 12.980 1.00 9.12 C -ANISOU 789 CB ASP A 94 1369 1432 665 4 48 7 C -ATOM 790 CG ASP A 94 23.669 -23.470 12.321 1.00 9.18 C -ANISOU 790 CG ASP A 94 1205 1558 725 -42 -7 -84 C -ATOM 791 OD1 ASP A 94 23.483 -22.876 11.239 1.00 8.30 O -ANISOU 791 OD1 ASP A 94 1038 1356 761 -149 61 -32 O -ATOM 792 OD2 ASP A 94 24.783 -23.555 12.873 1.00 10.92 O -ANISOU 792 OD2 ASP A 94 1354 1944 851 7 -27 -102 O -ATOM 793 N GLY A 95 20.810 -21.378 11.737 1.00 7.74 N -ANISOU 793 N GLY A 95 1169 1107 666 -169 109 -214 N -ATOM 794 CA GLY A 95 20.756 -19.937 11.877 1.00 8.44 C -ANISOU 794 CA GLY A 95 1284 1212 709 -48 72 -273 C -ATOM 795 C GLY A 95 22.116 -19.265 11.921 1.00 8.15 C -ANISOU 795 C GLY A 95 1148 1247 704 -39 -21 -356 C -ATOM 796 O GLY A 95 22.195 -18.044 12.068 1.00 8.63 O -ANISOU 796 O GLY A 95 1192 1276 812 -77 -65 -371 O -ATOM 797 N ASN A 96 23.186 -20.050 11.795 1.00 7.87 N -ANISOU 797 N ASN A 96 1041 1318 632 -77 1 -264 N -ATOM 798 CA ASN A 96 24.553 -19.537 11.833 1.00 8.93 C -ANISOU 798 CA ASN A 96 1066 1650 676 -169 -32 -381 C -ATOM 799 C ASN A 96 25.385 -20.092 10.676 1.00 8.08 C -ANISOU 799 C ASN A 96 1019 1447 603 -180 -61 -339 C -ATOM 800 O ASN A 96 26.595 -20.248 10.772 1.00 8.75 O -ANISOU 800 O ASN A 96 973 1672 678 -116 -101 -446 O -ATOM 801 CB ASN A 96 25.229 -19.836 13.178 1.00 12.46 C -ANISOU 801 CB ASN A 96 1411 2329 995 -156 -80 -536 C -ATOM 802 CG ASN A 96 26.494 -19.012 13.392 1.00 16.90 C -ANISOU 802 CG ASN A 96 1857 3193 1372 84 -161 -647 C -ATOM 803 OD1 ASN A 96 26.570 -17.842 12.988 1.00 18.43 O -ANISOU 803 OD1 ASN A 96 2061 3344 1598 -115 -89 -733 O -ATOM 804 ND2 ASN A 96 27.500 -19.629 13.986 1.00 19.26 N -ANISOU 804 ND2 ASN A 96 2129 3737 1453 216 -311 -764 N -ATOM 805 N ASN A 97 24.716 -20.351 9.557 1.00 7.27 N -ANISOU 805 N ASN A 97 1037 1252 476 -185 20 -238 N -ATOM 806 CA ASN A 97 25.386 -20.748 8.329 1.00 7.21 C -ANISOU 806 CA ASN A 97 1100 1120 519 -241 37 -234 C -ATOM 807 C ASN A 97 26.148 -22.071 8.445 1.00 7.73 C -ANISOU 807 C ASN A 97 1136 1165 634 -314 101 -224 C -ATOM 808 O ASN A 97 27.160 -22.250 7.798 1.00 8.83 O -ANISOU 808 O ASN A 97 1284 1291 781 -115 268 -137 O -ATOM 809 CB ASN A 97 26.289 -19.620 7.801 1.00 7.42 C -ANISOU 809 CB ASN A 97 1211 977 631 -245 62 -155 C -ATOM 810 CG ASN A 97 25.563 -18.654 6.876 1.00 7.37 C -ANISOU 810 CG ASN A 97 1244 882 675 -238 174 -140 C -ATOM 811 OD1 ASN A 97 25.929 -17.458 6.741 1.00 9.81 O -ANISOU 811 OD1 ASN A 97 1623 1189 916 -202 234 -37 O -ATOM 812 ND2 ASN A 97 24.566 -19.150 6.217 1.00 6.05 N -ANISOU 812 ND2 ASN A 97 1008 785 507 -82 121 -92 N -ATOM 813 N ALA A 98 25.620 -23.029 9.203 1.00 7.69 N -ANISOU 813 N ALA A 98 1098 1247 578 -198 129 -143 N -ATOM 814 CA ALA A 98 26.192 -24.379 9.190 1.00 7.58 C -ANISOU 814 CA ALA A 98 1060 1237 584 -190 49 -207 C -ATOM 815 C ALA A 98 26.319 -24.898 7.761 1.00 7.00 C -ANISOU 815 C ALA A 98 927 1157 574 -266 5 -264 C -ATOM 816 O ALA A 98 25.421 -24.722 6.926 1.00 7.35 O -ANISOU 816 O ALA A 98 974 1199 618 -193 -27 -203 O -ATOM 817 CB ALA A 98 25.345 -25.333 9.999 1.00 8.22 C -ANISOU 817 CB ALA A 98 1173 1275 676 2 -18 -177 C -ATOM 818 N ALA A 99 27.421 -25.583 7.486 1.00 7.54 N -ANISOU 818 N ALA A 99 925 1322 619 -135 -82 -270 N -ATOM 819 CA ALA A 99 27.603 -26.291 6.232 1.00 7.45 C -ANISOU 819 CA ALA A 99 971 1277 582 -93 -83 -271 C -ATOM 820 C ALA A 99 26.462 -27.282 6.042 1.00 6.63 C -ANISOU 820 C ALA A 99 988 1070 462 -133 -40 -121 C -ATOM 821 O ALA A 99 26.068 -27.983 6.967 1.00 7.52 O -ANISOU 821 O ALA A 99 1146 1198 512 -203 -101 0 O -ATOM 822 CB ALA A 99 28.920 -27.027 6.219 1.00 8.86 C -ANISOU 822 CB ALA A 99 1018 1594 752 -98 -58 -275 C -ATOM 823 N ILE A 100 25.946 -27.350 4.828 1.00 5.99 N -ANISOU 823 N ILE A 100 923 973 378 -118 -28 -73 N -ATOM 824 CA ILE A 100 24.850 -28.249 4.481 1.00 5.66 C -ANISOU 824 CA ILE A 100 914 893 343 -67 9 -35 C -ATOM 825 C ILE A 100 25.415 -29.399 3.681 1.00 5.37 C -ANISOU 825 C ILE A 100 928 809 303 -173 107 46 C -ATOM 826 O ILE A 100 26.005 -29.181 2.625 1.00 6.86 O -ANISOU 826 O ILE A 100 1115 1016 477 -56 281 193 O -ATOM 827 CB ILE A 100 23.797 -27.507 3.651 1.00 6.05 C -ANISOU 827 CB ILE A 100 895 1007 395 -104 58 -26 C -ATOM 828 CG1 ILE A 100 23.144 -26.408 4.489 1.00 6.81 C -ANISOU 828 CG1 ILE A 100 1093 1003 490 -21 95 35 C -ATOM 829 CG2 ILE A 100 22.752 -28.478 3.145 1.00 7.31 C -ANISOU 829 CG2 ILE A 100 1056 1230 491 -35 -9 -77 C -ATOM 830 CD1 ILE A 100 22.318 -25.456 3.697 1.00 7.88 C -ANISOU 830 CD1 ILE A 100 1245 1154 595 -18 103 36 C -ATOM 831 N ARG A 101 25.252 -30.611 4.194 1.00 5.50 N -ANISOU 831 N ARG A 101 925 888 278 -93 36 -19 N -ATOM 832 CA ARG A 101 25.814 -31.805 3.581 1.00 5.50 C -ANISOU 832 CA ARG A 101 785 978 327 -82 -33 47 C -ATOM 833 C ARG A 101 24.706 -32.771 3.166 1.00 5.18 C -ANISOU 833 C ARG A 101 799 861 309 -116 19 81 C -ATOM 834 O ARG A 101 23.764 -33.014 3.929 1.00 5.88 O -ANISOU 834 O ARG A 101 904 964 368 -146 62 103 O -ATOM 835 CB ARG A 101 26.784 -32.504 4.545 1.00 6.81 C -ANISOU 835 CB ARG A 101 858 1286 442 -48 -173 96 C -ATOM 836 CG ARG A 101 27.895 -31.582 5.004 1.00 8.88 C -ANISOU 836 CG ARG A 101 1083 1699 593 -298 -259 120 C -ATOM 837 CD ARG A 101 28.998 -32.236 5.832 1.00 11.48 C -ANISOU 837 CD ARG A 101 1373 2135 853 -261 -381 55 C -ATOM 838 NE ARG A 101 29.797 -31.194 6.518 1.00 13.39 N -ANISOU 838 NE ARG A 101 1578 2414 1094 -338 -358 20 N -ATOM 839 CZ ARG A 101 30.799 -30.485 5.991 1.00 13.84 C -ANISOU 839 CZ ARG A 101 1541 2466 1251 -277 -529 -97 C -ATOM 840 NH1 ARG A 101 31.249 -30.712 4.767 1.00 14.16 N -ANISOU 840 NH1 ARG A 101 1623 2436 1323 -70 -448 155 N -ATOM 841 NH2 ARG A 101 31.385 -29.548 6.726 1.00 14.31 N -ANISOU 841 NH2 ARG A 101 1506 2597 1336 -236 -535 -240 N -ATOM 842 N SER A 102 24.845 -33.328 1.971 1.00 5.17 N -ANISOU 842 N SER A 102 871 806 287 -119 -16 5 N -ATOM 843 CA SER A 102 23.928 -34.338 1.439 1.00 5.24 C -ANISOU 843 CA SER A 102 762 879 349 -10 -24 7 C -ATOM 844 C SER A 102 24.691 -35.478 0.831 1.00 5.21 C -ANISOU 844 C SER A 102 784 875 320 -33 26 74 C -ATOM 845 O SER A 102 25.694 -35.231 0.173 1.00 5.68 O -ANISOU 845 O SER A 102 804 931 424 -102 187 96 O -ATOM 846 CB SER A 102 23.072 -33.774 0.304 1.00 5.76 C -ANISOU 846 CB SER A 102 750 1002 438 27 20 63 C -ATOM 847 OG SER A 102 22.412 -32.582 0.661 1.00 7.16 O -ANISOU 847 OG SER A 102 902 1256 563 200 -144 99 O -ATOM 848 N SER A 103 24.188 -36.705 0.979 1.00 4.63 N -ANISOU 848 N SER A 103 697 821 241 -96 -24 83 N -ATOM 849 CA SER A 103 24.727 -37.848 0.263 1.00 4.72 C -ANISOU 849 CA SER A 103 766 800 229 -11 16 93 C -ATOM 850 C SER A 103 23.647 -38.440 -0.628 1.00 4.79 C -ANISOU 850 C SER A 103 694 886 242 -44 43 54 C -ATOM 851 O SER A 103 22.497 -38.594 -0.198 1.00 5.47 O -ANISOU 851 O SER A 103 687 1094 298 -75 8 1 O -ATOM 852 CB SER A 103 25.217 -38.919 1.232 1.00 5.24 C -ANISOU 852 CB SER A 103 765 947 281 1 25 140 C -ATOM 853 OG SER A 103 26.234 -38.392 2.069 1.00 5.54 O -ANISOU 853 OG SER A 103 757 1039 310 34 -104 105 O -ATOM 854 N VAL A 104 24.032 -38.795 -1.857 1.00 5.09 N -ANISOU 854 N VAL A 104 837 857 239 -69 16 21 N -ATOM 855 CA VAL A 104 23.135 -39.455 -2.791 1.00 4.79 C -ANISOU 855 CA VAL A 104 790 791 241 -118 4 51 C -ATOM 856 C VAL A 104 23.665 -40.845 -3.108 1.00 4.77 C -ANISOU 856 C VAL A 104 763 800 249 -104 -50 86 C -ATOM 857 O VAL A 104 24.767 -41.225 -2.684 1.00 5.32 O -ANISOU 857 O VAL A 104 785 939 299 -43 -90 127 O -ATOM 858 CB VAL A 104 22.950 -38.611 -4.073 1.00 5.40 C -ANISOU 858 CB VAL A 104 934 855 262 -36 -53 83 C -ATOM 859 CG1 VAL A 104 22.357 -37.245 -3.743 1.00 6.25 C -ANISOU 859 CG1 VAL A 104 1016 1047 312 -20 -95 111 C -ATOM 860 CG2 VAL A 104 24.261 -38.466 -4.849 1.00 5.96 C -ANISOU 860 CG2 VAL A 104 1031 946 289 24 -27 119 C -ATOM 861 N HIS A 105 22.887 -41.602 -3.856 1.00 5.16 N -ANISOU 861 N HIS A 105 857 858 246 -38 -85 -22 N -ATOM 862 CA HIS A 105 23.181 -43.006 -4.105 1.00 5.35 C -ANISOU 862 CA HIS A 105 838 834 361 -127 5 2 C -ATOM 863 C HIS A 105 23.342 -43.789 -2.808 1.00 5.24 C -ANISOU 863 C HIS A 105 836 794 363 -153 34 93 C -ATOM 864 O HIS A 105 24.194 -44.666 -2.693 1.00 6.02 O -ANISOU 864 O HIS A 105 972 849 466 -42 107 104 O -ATOM 865 CB HIS A 105 24.402 -43.188 -5.005 1.00 6.11 C -ANISOU 865 CB HIS A 105 1021 877 422 -105 59 -14 C -ATOM 866 CG HIS A 105 24.221 -42.627 -6.381 1.00 6.75 C -ANISOU 866 CG HIS A 105 1161 994 410 -133 40 -94 C -ATOM 867 ND1 HIS A 105 23.224 -43.052 -7.235 1.00 7.44 N -ANISOU 867 ND1 HIS A 105 1201 1215 409 -219 111 70 N -ATOM 868 CD2 HIS A 105 24.944 -41.723 -7.076 1.00 7.42 C -ANISOU 868 CD2 HIS A 105 1315 1104 402 -215 107 -120 C -ATOM 869 CE1 HIS A 105 23.320 -42.408 -8.380 1.00 8.30 C -ANISOU 869 CE1 HIS A 105 1367 1308 479 -96 48 -8 C -ATOM 870 NE2 HIS A 105 24.357 -41.599 -8.309 1.00 8.13 N -ANISOU 870 NE2 HIS A 105 1507 1117 463 -65 146 -46 N -ATOM 871 N TYR A 106 22.492 -43.490 -1.834 1.00 5.15 N -ANISOU 871 N TYR A 106 818 866 270 14 49 140 N -ATOM 872 CA TYR A 106 22.492 -44.227 -0.573 1.00 5.17 C -ANISOU 872 CA TYR A 106 834 835 297 -75 6 106 C -ATOM 873 C TYR A 106 21.823 -45.589 -0.738 1.00 5.26 C -ANISOU 873 C TYR A 106 822 859 317 21 -54 46 C -ATOM 874 O TYR A 106 20.668 -45.674 -1.152 1.00 5.64 O -ANISOU 874 O TYR A 106 875 942 328 -5 -38 44 O -ATOM 875 CB TYR A 106 21.764 -43.425 0.484 1.00 5.30 C -ANISOU 875 CB TYR A 106 870 755 391 -58 -20 -7 C -ATOM 876 CG TYR A 106 21.662 -44.100 1.826 1.00 5.16 C -ANISOU 876 CG TYR A 106 817 789 356 -99 1 50 C -ATOM 877 CD1 TYR A 106 22.714 -44.085 2.716 1.00 5.73 C -ANISOU 877 CD1 TYR A 106 874 893 411 -145 -12 98 C -ATOM 878 CD2 TYR A 106 20.503 -44.744 2.223 1.00 5.36 C -ANISOU 878 CD2 TYR A 106 802 899 335 -15 -77 79 C -ATOM 879 CE1 TYR A 106 22.613 -44.679 3.957 1.00 5.98 C -ANISOU 879 CE1 TYR A 106 855 977 440 -29 -97 70 C -ATOM 880 CE2 TYR A 106 20.394 -45.338 3.470 1.00 5.46 C -ANISOU 880 CE2 TYR A 106 763 959 354 -158 -21 121 C -ATOM 881 CZ TYR A 106 21.433 -45.289 4.333 1.00 5.92 C -ANISOU 881 CZ TYR A 106 869 962 419 -46 19 111 C -ATOM 882 OH TYR A 106 21.296 -45.897 5.556 1.00 6.60 O -ANISOU 882 OH TYR A 106 989 1037 483 -52 67 77 O -ATOM 883 N SER A 107 22.557 -46.644 -0.389 1.00 5.03 N -ANISOU 883 N SER A 107 753 757 400 -95 -31 63 N -ATOM 884 CA SER A 107 22.064 -48.020 -0.413 1.00 5.21 C -ANISOU 884 CA SER A 107 823 818 337 -68 40 60 C -ATOM 885 C SER A 107 21.647 -48.431 -1.827 1.00 5.63 C -ANISOU 885 C SER A 107 919 851 367 -40 -24 46 C -ATOM 886 O SER A 107 22.076 -47.818 -2.795 1.00 6.55 O -ANISOU 886 O SER A 107 1030 1005 452 -68 30 -23 O -ATOM 887 CB SER A 107 20.934 -48.189 0.616 1.00 6.06 C -ANISOU 887 CB SER A 107 961 970 371 -205 -34 98 C -ATOM 888 OG SER A 107 20.690 -49.566 0.864 1.00 6.56 O -ANISOU 888 OG SER A 107 1115 969 409 -280 77 123 O -ATOM 889 N GLN A 108 20.830 -49.475 -1.921 1.00 6.10 N -ANISOU 889 N GLN A 108 1044 825 449 -65 -75 -38 N -ATOM 890 CA GLN A 108 20.353 -50.018 -3.201 1.00 6.98 C -ANISOU 890 CA GLN A 108 1196 843 613 -24 -150 -51 C -ATOM 891 C GLN A 108 18.848 -50.094 -3.170 1.00 8.13 C -ANISOU 891 C GLN A 108 1245 1066 779 101 -248 -144 C -ATOM 892 O GLN A 108 18.274 -50.596 -2.214 1.00 8.98 O -ANISOU 892 O GLN A 108 1157 1302 954 -120 -121 -63 O -ATOM 893 CB GLN A 108 20.908 -51.426 -3.466 1.00 7.52 C -ANISOU 893 CB GLN A 108 1196 988 672 -55 -114 -36 C -ATOM 894 CG GLN A 108 22.424 -51.499 -3.557 1.00 8.20 C -ANISOU 894 CG GLN A 108 1221 1154 741 -116 -69 -20 C -ATOM 895 CD GLN A 108 22.929 -52.842 -4.049 1.00 9.50 C -ANISOU 895 CD GLN A 108 1397 1273 940 -94 -81 -120 C -ATOM 896 OE1 GLN A 108 22.219 -53.570 -4.733 1.00 10.97 O -ANISOU 896 OE1 GLN A 108 1536 1484 1148 32 -258 -386 O -ATOM 897 NE2 GLN A 108 24.162 -53.178 -3.703 1.00 9.17 N -ANISOU 897 NE2 GLN A 108 1346 1163 975 -87 -49 -142 N -ATOM 898 N GLY A 109 18.207 -49.583 -4.211 1.00 9.19 N -ANISOU 898 N GLY A 109 1334 1313 843 337 -354 -358 N -ATOM 899 CA GLY A 109 16.760 -49.648 -4.319 1.00 10.05 C -ANISOU 899 CA GLY A 109 1366 1441 1011 340 -445 -443 C -ATOM 900 C GLY A 109 16.048 -48.929 -3.185 1.00 8.81 C -ANISOU 900 C GLY A 109 1133 1179 1038 81 -316 -330 C -ATOM 901 O GLY A 109 14.957 -49.323 -2.767 1.00 10.06 O -ANISOU 901 O GLY A 109 1164 1289 1369 20 -345 -419 O -ATOM 902 N TYR A 110 16.653 -47.859 -2.667 1.00 7.56 N -ANISOU 902 N TYR A 110 1079 1058 735 39 -152 -191 N -ATOM 903 CA TYR A 110 16.239 -47.301 -1.378 1.00 6.38 C -ANISOU 903 CA TYR A 110 902 986 536 -105 -110 -28 C -ATOM 904 C TYR A 110 15.140 -46.257 -1.564 1.00 6.48 C -ANISOU 904 C TYR A 110 899 1017 545 -60 -96 -38 C -ATOM 905 O TYR A 110 15.390 -45.166 -2.093 1.00 6.33 O -ANISOU 905 O TYR A 110 898 986 522 -96 -150 62 O -ATOM 906 CB TYR A 110 17.454 -46.737 -0.666 1.00 6.24 C -ANISOU 906 CB TYR A 110 837 1029 505 -38 -102 -25 C -ATOM 907 CG TYR A 110 17.213 -46.441 0.789 1.00 6.04 C -ANISOU 907 CG TYR A 110 844 959 491 -141 -178 -86 C -ATOM 908 CD1 TYR A 110 17.341 -47.451 1.723 1.00 7.22 C -ANISOU 908 CD1 TYR A 110 1239 949 553 2 -118 0 C -ATOM 909 CD2 TYR A 110 16.871 -45.163 1.238 1.00 6.24 C -ANISOU 909 CD2 TYR A 110 809 1078 484 -108 -119 -120 C -ATOM 910 CE1 TYR A 110 17.139 -47.222 3.059 1.00 7.56 C -ANISOU 910 CE1 TYR A 110 1308 1019 544 -26 -68 84 C -ATOM 911 CE2 TYR A 110 16.648 -44.923 2.587 1.00 6.85 C -ANISOU 911 CE2 TYR A 110 914 1173 515 -93 -166 -103 C -ATOM 912 CZ TYR A 110 16.796 -45.957 3.495 1.00 7.62 C -ANISOU 912 CZ TYR A 110 1155 1181 560 -43 -93 -113 C -ATOM 913 OH TYR A 110 16.590 -45.707 4.839 1.00 8.39 O -ANISOU 913 OH TYR A 110 1160 1415 613 -37 -152 -176 O -ATOM 914 N ASN A 111 13.928 -46.615 -1.147 1.00 6.06 N -ANISOU 914 N ASN A 111 812 953 535 -73 -167 -62 N -ATOM 915 CA ASN A 111 12.736 -45.818 -1.392 1.00 6.27 C -ANISOU 915 CA ASN A 111 795 1048 539 -66 -212 -114 C -ATOM 916 C ASN A 111 12.500 -44.789 -0.287 1.00 6.22 C -ANISOU 916 C ASN A 111 781 1053 528 -66 -101 -92 C -ATOM 917 O ASN A 111 11.409 -44.707 0.297 1.00 6.94 O -ANISOU 917 O ASN A 111 855 1112 670 -216 19 -155 O -ATOM 918 CB ASN A 111 11.525 -46.741 -1.526 1.00 6.98 C -ANISOU 918 CB ASN A 111 843 1124 683 -154 -251 -125 C -ATOM 919 CG ASN A 111 11.522 -47.495 -2.822 1.00 7.72 C -ANISOU 919 CG ASN A 111 1039 1064 832 -258 -220 -111 C -ATOM 920 OD1 ASN A 111 11.866 -46.956 -3.870 1.00 8.18 O -ANISOU 920 OD1 ASN A 111 1111 1156 839 -157 -225 -105 O -ATOM 921 ND2 ASN A 111 11.109 -48.751 -2.768 1.00 9.44 N -ANISOU 921 ND2 ASN A 111 1539 1112 936 -268 -203 -269 N -ATOM 922 N ASN A 112 13.508 -43.973 0.016 1.00 5.86 N -ANISOU 922 N ASN A 112 788 1021 416 -109 -51 -156 N -ATOM 923 CA ASN A 112 13.327 -42.961 1.035 1.00 5.55 C -ANISOU 923 CA ASN A 112 773 923 412 -85 -68 -76 C -ATOM 924 C ASN A 112 14.474 -41.969 1.007 1.00 5.66 C -ANISOU 924 C ASN A 112 738 986 427 20 -21 36 C -ATOM 925 O ASN A 112 15.453 -42.123 0.265 1.00 5.75 O -ANISOU 925 O ASN A 112 802 949 432 0 -100 -8 O -ATOM 926 CB ASN A 112 13.194 -43.604 2.433 1.00 5.97 C -ANISOU 926 CB ASN A 112 893 929 445 -142 -40 -48 C -ATOM 927 CG ASN A 112 12.139 -42.932 3.293 1.00 6.27 C -ANISOU 927 CG ASN A 112 912 984 487 -193 -61 -21 C -ATOM 928 OD1 ASN A 112 11.805 -41.764 3.109 1.00 6.33 O -ANISOU 928 OD1 ASN A 112 802 1059 544 -59 -36 -116 O -ATOM 929 ND2 ASN A 112 11.592 -43.681 4.238 1.00 7.76 N -ANISOU 929 ND2 ASN A 112 1232 1099 618 100 83 118 N -ATOM 930 N ALA A 113 14.300 -40.932 1.815 1.00 5.27 N -ANISOU 930 N ALA A 113 555 1022 427 -94 -20 -57 N -ATOM 931 CA ALA A 113 15.294 -39.907 2.076 1.00 5.52 C -ANISOU 931 CA ALA A 113 666 1030 399 -36 -7 -14 C -ATOM 932 C ALA A 113 15.121 -39.503 3.523 1.00 4.84 C -ANISOU 932 C ALA A 113 620 878 342 -28 -66 -64 C -ATOM 933 O ALA A 113 14.029 -39.668 4.080 1.00 5.42 O -ANISOU 933 O ALA A 113 631 1097 332 -68 -66 -51 O -ATOM 934 CB ALA A 113 15.095 -38.716 1.151 1.00 6.12 C -ANISOU 934 CB ALA A 113 796 1123 408 -17 -1 -115 C -ATOM 935 N PHE A 114 16.168 -38.973 4.151 1.00 4.97 N -ANISOU 935 N PHE A 114 672 952 266 -81 -70 -31 N -ATOM 936 CA PHE A 114 16.088 -38.620 5.560 1.00 4.85 C -ANISOU 936 CA PHE A 114 665 901 276 -39 -124 -48 C -ATOM 937 C PHE A 114 17.178 -37.656 5.960 1.00 5.02 C -ANISOU 937 C PHE A 114 675 976 255 -55 6 -6 C -ATOM 938 O PHE A 114 18.169 -37.492 5.248 1.00 5.95 O -ANISOU 938 O PHE A 114 777 1160 325 -114 94 -18 O -ATOM 939 CB PHE A 114 16.079 -39.864 6.465 1.00 5.67 C -ANISOU 939 CB PHE A 114 764 1020 371 4 -110 -27 C -ATOM 940 CG PHE A 114 17.290 -40.773 6.337 1.00 5.90 C -ANISOU 940 CG PHE A 114 776 1071 393 -133 -150 52 C -ATOM 941 CD1 PHE A 114 17.367 -41.715 5.320 1.00 6.31 C -ANISOU 941 CD1 PHE A 114 904 1019 474 -90 -160 14 C -ATOM 942 CD2 PHE A 114 18.310 -40.736 7.274 1.00 6.84 C -ANISOU 942 CD2 PHE A 114 952 1122 527 18 -259 61 C -ATOM 943 CE1 PHE A 114 18.452 -42.584 5.229 1.00 6.45 C -ANISOU 943 CE1 PHE A 114 969 991 491 -60 -96 16 C -ATOM 944 CE2 PHE A 114 19.398 -41.613 7.179 1.00 6.87 C -ANISOU 944 CE2 PHE A 114 894 1173 544 -140 -252 9 C -ATOM 945 CZ PHE A 114 19.455 -42.526 6.155 1.00 6.80 C -ANISOU 945 CZ PHE A 114 917 1119 548 -51 -127 75 C -ATOM 946 N TRP A 115 16.972 -37.042 7.118 1.00 4.86 N -ANISOU 946 N TRP A 115 639 934 272 -177 34 -33 N -ATOM 947 CA TRP A 115 17.989 -36.295 7.830 1.00 5.23 C -ANISOU 947 CA TRP A 115 702 980 304 -169 -36 5 C -ATOM 948 C TRP A 115 18.486 -37.192 8.953 1.00 5.74 C -ANISOU 948 C TRP A 115 731 1121 330 -170 -28 109 C -ATOM 949 O TRP A 115 17.681 -37.665 9.751 1.00 6.19 O -ANISOU 949 O TRP A 115 731 1255 366 -109 -66 153 O -ATOM 950 CB TRP A 115 17.385 -35.002 8.367 1.00 6.09 C -ANISOU 950 CB TRP A 115 904 1086 322 -10 -63 -8 C -ATOM 951 CG TRP A 115 18.293 -34.242 9.276 1.00 5.93 C -ANISOU 951 CG TRP A 115 972 982 300 -85 -127 -18 C -ATOM 952 CD1 TRP A 115 18.291 -34.264 10.633 1.00 6.79 C -ANISOU 952 CD1 TRP A 115 1221 1007 351 -149 -104 -41 C -ATOM 953 CD2 TRP A 115 19.369 -33.359 8.894 1.00 6.00 C -ANISOU 953 CD2 TRP A 115 1001 945 333 -63 -191 39 C -ATOM 954 NE1 TRP A 115 19.286 -33.433 11.119 1.00 7.35 N -ANISOU 954 NE1 TRP A 115 1300 1095 396 -125 -189 -30 N -ATOM 955 CE2 TRP A 115 19.955 -32.865 10.070 1.00 6.14 C -ANISOU 955 CE2 TRP A 115 1096 865 370 -137 -177 75 C -ATOM 956 CE3 TRP A 115 19.853 -32.906 7.667 1.00 6.70 C -ANISOU 956 CE3 TRP A 115 942 1182 422 -79 -12 94 C -ATOM 957 CZ2 TRP A 115 21.032 -31.962 10.053 1.00 6.54 C -ANISOU 957 CZ2 TRP A 115 1055 999 431 -3 -301 -17 C -ATOM 958 CZ3 TRP A 115 20.893 -31.988 7.650 1.00 7.22 C -ANISOU 958 CZ3 TRP A 115 1043 1162 539 77 20 147 C -ATOM 959 CH2 TRP A 115 21.472 -31.543 8.829 1.00 6.87 C -ANISOU 959 CH2 TRP A 115 969 1110 532 -58 -132 87 C -ATOM 960 N ASN A 116 19.792 -37.468 9.017 1.00 5.49 N -ANISOU 960 N ASN A 116 724 1027 336 -247 -59 146 N -ATOM 961 CA ASN A 116 20.298 -38.459 9.968 1.00 5.90 C -ANISOU 961 CA ASN A 116 856 1027 360 -80 -95 211 C -ATOM 962 C ASN A 116 20.781 -37.865 11.293 1.00 6.07 C -ANISOU 962 C ASN A 116 819 1120 367 -29 -10 227 C -ATOM 963 O ASN A 116 21.441 -38.567 12.069 1.00 6.43 O -ANISOU 963 O ASN A 116 855 1166 422 30 -52 279 O -ATOM 964 CB ASN A 116 21.401 -39.318 9.346 1.00 5.84 C -ANISOU 964 CB ASN A 116 866 979 373 -126 -126 210 C -ATOM 965 CG ASN A 116 22.726 -38.631 9.346 1.00 5.36 C -ANISOU 965 CG ASN A 116 846 896 294 -186 -51 101 C -ATOM 966 OD1 ASN A 116 22.796 -37.403 9.439 1.00 5.10 O -ANISOU 966 OD1 ASN A 116 815 855 268 -154 -48 72 O -ATOM 967 ND2 ASN A 116 23.795 -39.402 9.240 1.00 6.01 N -ANISOU 967 ND2 ASN A 116 945 997 341 -177 -75 70 N -ATOM 968 N GLY A 117 20.433 -36.604 11.546 1.00 5.72 N -ANISOU 968 N GLY A 117 814 1059 299 7 -65 106 N -ATOM 969 CA GLY A 117 20.923 -35.858 12.701 1.00 5.94 C -ANISOU 969 CA GLY A 117 900 1074 282 15 -28 49 C -ATOM 970 C GLY A 117 22.032 -34.874 12.330 1.00 6.02 C -ANISOU 970 C GLY A 117 947 1053 288 33 -78 60 C -ATOM 971 O GLY A 117 22.314 -33.949 13.089 1.00 6.37 O -ANISOU 971 O GLY A 117 944 1152 324 16 -132 18 O -ATOM 972 N SER A 118 22.666 -35.096 11.173 1.00 5.80 N -ANISOU 972 N SER A 118 924 995 285 -21 -99 80 N -ATOM 973 CA SER A 118 23.833 -34.324 10.746 1.00 6.03 C -ANISOU 973 CA SER A 118 960 975 357 -19 -158 122 C -ATOM 974 C SER A 118 23.851 -33.940 9.270 1.00 5.60 C -ANISOU 974 C SER A 118 880 924 325 -88 -142 72 C -ATOM 975 O SER A 118 24.567 -33.026 8.894 1.00 5.96 O -ANISOU 975 O SER A 118 976 934 355 -214 -157 94 O -ATOM 976 CB SER A 118 25.105 -35.136 11.030 1.00 6.67 C -ANISOU 976 CB SER A 118 970 1105 459 -80 -248 209 C -ATOM 977 OG SER A 118 25.146 -35.523 12.396 1.00 7.68 O -ANISOU 977 OG SER A 118 1191 1197 531 99 -268 281 O -ATOM 978 N GLN A 119 23.088 -34.650 8.449 1.00 5.21 N -ANISOU 978 N GLN A 119 780 906 293 -96 -1 156 N -ATOM 979 CA GLN A 119 23.150 -34.470 7.000 1.00 4.92 C -ANISOU 979 CA GLN A 119 716 867 286 -101 -53 152 C -ATOM 980 C GLN A 119 21.903 -35.039 6.366 1.00 5.08 C -ANISOU 980 C GLN A 119 770 886 274 -53 -63 129 C -ATOM 981 O GLN A 119 21.182 -35.849 6.971 1.00 5.20 O -ANISOU 981 O GLN A 119 783 904 290 -83 -38 153 O -ATOM 982 CB GLN A 119 24.376 -35.166 6.404 1.00 5.25 C -ANISOU 982 CB GLN A 119 722 962 308 -162 -98 117 C -ATOM 983 CG GLN A 119 24.336 -36.690 6.568 1.00 5.45 C -ANISOU 983 CG GLN A 119 811 968 292 -34 -19 151 C -ATOM 984 CD GLN A 119 25.303 -37.373 5.638 1.00 5.37 C -ANISOU 984 CD GLN A 119 794 978 267 -31 -16 50 C -ATOM 985 OE1 GLN A 119 26.347 -37.879 6.038 1.00 6.49 O -ANISOU 985 OE1 GLN A 119 911 1214 339 140 9 99 O -ATOM 986 NE2 GLN A 119 24.975 -37.364 4.377 1.00 5.89 N -ANISOU 986 NE2 GLN A 119 824 1112 302 -3 -80 -49 N -ATOM 987 N MET A 120 21.663 -34.649 5.119 1.00 4.74 N -ANISOU 987 N MET A 120 704 810 287 -133 -68 153 N -ATOM 988 CA MET A 120 20.613 -35.235 4.296 1.00 4.87 C -ANISOU 988 CA MET A 120 722 851 277 -114 -105 98 C -ATOM 989 C MET A 120 21.129 -36.462 3.565 1.00 4.80 C -ANISOU 989 C MET A 120 707 878 238 20 -22 68 C -ATOM 990 O MET A 120 22.303 -36.539 3.192 1.00 4.97 O -ANISOU 990 O MET A 120 766 886 238 -4 -40 52 O -ATOM 991 CB MET A 120 20.096 -34.233 3.275 1.00 5.83 C -ANISOU 991 CB MET A 120 873 978 362 -74 -154 164 C -ATOM 992 CG MET A 120 19.333 -33.071 3.915 1.00 6.55 C -ANISOU 992 CG MET A 120 876 1073 541 -125 -131 289 C -ATOM 993 SD MET A 120 18.819 -31.768 2.802 1.00 7.72 S -ANISOU 993 SD MET A 120 1034 1301 600 -57 -174 123 S -ATOM 994 CE MET A 120 20.326 -30.870 2.559 1.00 8.46 C -ANISOU 994 CE MET A 120 1246 1366 603 -164 102 376 C -ATOM 995 N VAL A 121 20.231 -37.407 3.338 1.00 4.72 N -ANISOU 995 N VAL A 121 662 890 243 -34 -3 -75 N -ATOM 996 CA VAL A 121 20.550 -38.684 2.727 1.00 4.92 C -ANISOU 996 CA VAL A 121 699 922 248 -39 -50 -6 C -ATOM 997 C VAL A 121 19.441 -39.038 1.737 1.00 5.04 C -ANISOU 997 C VAL A 121 744 923 248 -37 -32 -2 C -ATOM 998 O VAL A 121 18.264 -39.024 2.108 1.00 5.61 O -ANISOU 998 O VAL A 121 691 1134 305 -128 -42 -9 O -ATOM 999 CB VAL A 121 20.641 -39.791 3.804 1.00 5.06 C -ANISOU 999 CB VAL A 121 771 888 264 -49 -72 -8 C -ATOM 1000 CG1 VAL A 121 21.096 -41.111 3.168 1.00 5.87 C -ANISOU 1000 CG1 VAL A 121 915 1019 297 -37 -28 49 C -ATOM 1001 CG2 VAL A 121 21.582 -39.379 4.926 1.00 5.54 C -ANISOU 1001 CG2 VAL A 121 856 888 362 -43 -67 -13 C -ATOM 1002 N TYR A 122 19.810 -39.392 0.514 1.00 5.08 N -ANISOU 1002 N TYR A 122 763 889 278 -11 -75 6 N -ATOM 1003 CA TYR A 122 18.833 -39.712 -0.535 1.00 4.79 C -ANISOU 1003 CA TYR A 122 736 833 252 -174 -19 36 C -ATOM 1004 C TYR A 122 19.081 -41.070 -1.164 1.00 4.83 C -ANISOU 1004 C TYR A 122 696 846 292 -161 -59 52 C -ATOM 1005 O TYR A 122 20.152 -41.328 -1.707 1.00 5.25 O -ANISOU 1005 O TYR A 122 789 922 285 -119 -22 -14 O -ATOM 1006 CB TYR A 122 18.886 -38.666 -1.661 1.00 5.35 C -ANISOU 1006 CB TYR A 122 837 923 272 -88 -44 95 C -ATOM 1007 CG TYR A 122 18.587 -37.277 -1.196 1.00 5.02 C -ANISOU 1007 CG TYR A 122 787 841 280 -58 -39 159 C -ATOM 1008 CD1 TYR A 122 17.286 -36.811 -1.132 1.00 5.38 C -ANISOU 1008 CD1 TYR A 122 846 863 336 -101 -112 188 C -ATOM 1009 CD2 TYR A 122 19.612 -36.426 -0.814 1.00 5.12 C -ANISOU 1009 CD2 TYR A 122 811 837 299 -68 -151 111 C -ATOM 1010 CE1 TYR A 122 17.015 -35.539 -0.667 1.00 5.67 C -ANISOU 1010 CE1 TYR A 122 800 971 385 27 -115 7 C -ATOM 1011 CE2 TYR A 122 19.351 -35.155 -0.361 1.00 5.41 C -ANISOU 1011 CE2 TYR A 122 855 837 363 -57 -231 64 C -ATOM 1012 CZ TYR A 122 18.052 -34.707 -0.291 1.00 5.94 C -ANISOU 1012 CZ TYR A 122 875 922 461 81 -155 48 C -ATOM 1013 OH TYR A 122 17.778 -33.439 0.156 1.00 7.35 O -ANISOU 1013 OH TYR A 122 1029 1070 692 222 -201 -35 O -ATOM 1014 N GLY A 123 18.072 -41.926 -1.113 1.00 5.44 N -ANISOU 1014 N GLY A 123 811 932 325 -63 -22 -8 N -ATOM 1015 CA GLY A 123 18.067 -43.124 -1.915 1.00 5.50 C -ANISOU 1015 CA GLY A 123 815 861 412 -102 -160 -41 C -ATOM 1016 C GLY A 123 17.861 -42.834 -3.391 1.00 5.88 C -ANISOU 1016 C GLY A 123 908 908 418 -38 -141 -27 C -ATOM 1017 O GLY A 123 17.449 -41.735 -3.795 1.00 6.21 O -ANISOU 1017 O GLY A 123 1061 860 439 -33 -182 -81 O -ATOM 1018 N ASP A 124 18.123 -43.860 -4.194 1.00 5.41 N -ANISOU 1018 N ASP A 124 860 865 330 -23 -187 -87 N -ATOM 1019 CA ASP A 124 17.846 -43.828 -5.630 1.00 5.98 C -ANISOU 1019 CA ASP A 124 909 973 390 -48 -254 -85 C -ATOM 1020 C ASP A 124 16.447 -44.318 -5.968 1.00 6.58 C -ANISOU 1020 C ASP A 124 1007 1059 433 -47 -187 -146 C -ATOM 1021 O ASP A 124 16.017 -44.199 -7.105 1.00 7.25 O -ANISOU 1021 O ASP A 124 1158 1176 422 -79 -223 -105 O -ATOM 1022 CB ASP A 124 18.847 -44.691 -6.382 1.00 7.04 C -ANISOU 1022 CB ASP A 124 1001 1160 513 -41 -163 -142 C -ATOM 1023 CG ASP A 124 20.230 -44.069 -6.437 1.00 8.45 C -ANISOU 1023 CG ASP A 124 1102 1357 751 -45 -80 -167 C -ATOM 1024 OD1 ASP A 124 20.339 -42.831 -6.401 1.00 10.27 O -ANISOU 1024 OD1 ASP A 124 1210 1642 1050 -228 165 4 O -ATOM 1025 OD2 ASP A 124 21.203 -44.815 -6.553 1.00 9.74 O -ANISOU 1025 OD2 ASP A 124 1290 1477 932 78 -34 -166 O -ATOM 1026 N GLY A 125 15.746 -44.886 -4.993 1.00 6.90 N -ANISOU 1026 N GLY A 125 995 1089 539 -148 -194 -174 N -ATOM 1027 CA GLY A 125 14.498 -45.569 -5.260 1.00 6.93 C -ANISOU 1027 CA GLY A 125 964 1029 639 -242 -111 -13 C -ATOM 1028 C GLY A 125 14.756 -46.869 -5.998 1.00 8.17 C -ANISOU 1028 C GLY A 125 1073 1226 805 -90 -166 -181 C -ATOM 1029 O GLY A 125 15.867 -47.158 -6.421 1.00 8.70 O -ANISOU 1029 O GLY A 125 1210 1202 894 -35 -101 -262 O -ATOM 1030 N ASP A 126 13.708 -47.668 -6.152 1.00 8.48 N -ANISOU 1030 N ASP A 126 1047 1222 952 -110 -340 -329 N -ATOM 1031 CA ASP A 126 13.797 -48.942 -6.846 1.00 9.63 C -ANISOU 1031 CA ASP A 126 1308 1253 1096 -30 -312 -274 C -ATOM 1032 C ASP A 126 13.291 -48.854 -8.277 1.00 9.97 C -ANISOU 1032 C ASP A 126 1430 1221 1138 12 -233 -356 C -ATOM 1033 O ASP A 126 13.227 -49.853 -8.984 1.00 11.13 O -ANISOU 1033 O ASP A 126 1787 1202 1242 166 -222 -407 O -ATOM 1034 CB ASP A 126 13.070 -50.043 -6.076 1.00 10.29 C -ANISOU 1034 CB ASP A 126 1430 1318 1162 -209 -323 -145 C -ATOM 1035 CG ASP A 126 11.577 -49.819 -5.969 1.00 10.18 C -ANISOU 1035 CG ASP A 126 1527 1153 1188 -401 -343 -146 C -ATOM 1036 OD1 ASP A 126 11.053 -48.874 -6.589 1.00 10.49 O -ANISOU 1036 OD1 ASP A 126 1394 1414 1176 -213 -357 -157 O -ATOM 1037 OD2 ASP A 126 10.934 -50.589 -5.219 1.00 11.76 O -ANISOU 1037 OD2 ASP A 126 1741 1445 1280 -408 -226 -80 O -ATOM 1038 N GLY A 127 12.977 -47.645 -8.724 1.00 10.16 N -ANISOU 1038 N GLY A 127 1559 1166 1137 -62 -308 -384 N -ATOM 1039 CA GLY A 127 12.495 -47.429 -10.075 1.00 11.87 C -ANISOU 1039 CA GLY A 127 1817 1488 1205 149 -355 -338 C -ATOM 1040 C GLY A 127 11.013 -47.689 -10.261 1.00 13.20 C -ANISOU 1040 C GLY A 127 1826 1895 1295 354 -523 -411 C -ATOM 1041 O GLY A 127 10.471 -47.478 -11.346 1.00 15.60 O -ANISOU 1041 O GLY A 127 2147 2509 1271 556 -612 -388 O -ATOM 1042 N GLN A 128 10.357 -48.160 -9.207 1.00 12.29 N -ANISOU 1042 N GLN A 128 1608 1607 1455 68 -519 -504 N -ATOM 1043 CA GLN A 128 8.930 -48.468 -9.235 1.00 12.64 C -ANISOU 1043 CA GLN A 128 1661 1419 1723 -108 -542 -648 C -ATOM 1044 C GLN A 128 8.166 -47.569 -8.285 1.00 11.36 C -ANISOU 1044 C GLN A 128 1440 1239 1636 -238 -470 -480 C -ATOM 1045 O GLN A 128 7.264 -46.854 -8.703 1.00 12.47 O -ANISOU 1045 O GLN A 128 1592 1465 1680 -55 -510 -393 O -ATOM 1046 CB GLN A 128 8.698 -49.942 -8.887 1.00 15.82 C -ANISOU 1046 CB GLN A 128 1955 1894 2160 -242 -418 -703 C -ATOM 1047 CG GLN A 128 9.391 -50.877 -9.862 1.00 20.56 C -ANISOU 1047 CG GLN A 128 2614 2704 2496 84 -372 -814 C -ATOM 1048 CD GLN A 128 8.858 -50.727 -11.278 1.00 24.60 C -ANISOU 1048 CD GLN A 128 3131 3450 2765 432 -316 -882 C -ATOM 1049 OE1 GLN A 128 9.627 -50.633 -12.241 1.00 26.46 O -ANISOU 1049 OE1 GLN A 128 3472 3690 2892 593 -259 -913 O -ATOM 1050 NE2 GLN A 128 7.533 -50.713 -11.414 1.00 26.44 N -ANISOU 1050 NE2 GLN A 128 3307 3860 2878 616 -398 -940 N -ATOM 1051 N THR A 129 8.545 -47.565 -7.010 1.00 10.89 N -ANISOU 1051 N THR A 129 1323 1200 1615 -323 -350 -241 N -ATOM 1052 CA THR A 129 7.911 -46.674 -6.047 1.00 10.68 C -ANISOU 1052 CA THR A 129 1324 1226 1507 -391 -209 -104 C -ATOM 1053 C THR A 129 8.517 -45.273 -6.138 1.00 9.19 C -ANISOU 1053 C THR A 129 1087 1199 1204 -223 -227 -162 C -ATOM 1054 O THR A 129 7.795 -44.290 -6.056 1.00 9.12 O -ANISOU 1054 O THR A 129 1013 1265 1188 -83 -202 -166 O -ATOM 1055 CB THR A 129 8.023 -47.221 -4.605 1.00 12.51 C -ANISOU 1055 CB THR A 129 1665 1368 1720 -490 -90 69 C -ATOM 1056 OG1 THR A 129 7.255 -48.419 -4.497 1.00 14.68 O -ANISOU 1056 OG1 THR A 129 2008 1656 1915 -514 162 126 O -ATOM 1057 CG2 THR A 129 7.470 -46.258 -3.595 1.00 13.75 C -ANISOU 1057 CG2 THR A 129 1805 1698 1720 -229 -110 98 C -ATOM 1058 N PHE A 130 9.837 -45.180 -6.304 1.00 7.86 N -ANISOU 1058 N PHE A 130 933 1089 964 -167 -217 -125 N -ATOM 1059 CA PHE A 130 10.525 -43.898 -6.469 1.00 7.65 C -ANISOU 1059 CA PHE A 130 983 1130 793 16 -244 -174 C -ATOM 1060 C PHE A 130 11.621 -43.996 -7.508 1.00 7.79 C -ANISOU 1060 C PHE A 130 1057 1119 782 -16 -207 -180 C -ATOM 1061 O PHE A 130 12.214 -45.061 -7.695 1.00 8.08 O -ANISOU 1061 O PHE A 130 1103 1120 846 -72 -171 -220 O -ATOM 1062 CB PHE A 130 11.223 -43.469 -5.170 1.00 7.49 C -ANISOU 1062 CB PHE A 130 965 1169 713 -74 -227 -213 C -ATOM 1063 CG PHE A 130 10.305 -42.928 -4.109 1.00 7.83 C -ANISOU 1063 CG PHE A 130 990 1214 771 -42 -249 -200 C -ATOM 1064 CD1 PHE A 130 9.820 -41.636 -4.195 1.00 8.72 C -ANISOU 1064 CD1 PHE A 130 1155 1300 858 118 -306 -241 C -ATOM 1065 CD2 PHE A 130 9.981 -43.678 -2.996 1.00 9.42 C -ANISOU 1065 CD2 PHE A 130 1249 1419 909 91 -37 10 C -ATOM 1066 CE1 PHE A 130 9.000 -41.116 -3.202 1.00 9.26 C -ANISOU 1066 CE1 PHE A 130 1169 1400 951 18 -247 -351 C -ATOM 1067 CE2 PHE A 130 9.152 -43.158 -2.001 1.00 10.11 C -ANISOU 1067 CE2 PHE A 130 1354 1505 985 -47 -31 -65 C -ATOM 1068 CZ PHE A 130 8.670 -41.879 -2.112 1.00 9.89 C -ANISOU 1068 CZ PHE A 130 1164 1621 971 -51 -49 -297 C -ATOM 1069 N ILE A 131 11.903 -42.861 -8.139 1.00 7.43 N -ANISOU 1069 N ILE A 131 1017 1079 729 -45 -166 -140 N -ATOM 1070 CA ILE A 131 13.170 -42.606 -8.807 1.00 7.56 C -ANISOU 1070 CA ILE A 131 1084 1180 609 -92 -176 -132 C -ATOM 1071 C ILE A 131 14.024 -41.779 -7.822 1.00 6.80 C -ANISOU 1071 C ILE A 131 1017 1153 414 -39 -115 -79 C -ATOM 1072 O ILE A 131 13.571 -41.467 -6.729 1.00 6.60 O -ANISOU 1072 O ILE A 131 981 1154 372 -151 -20 -73 O -ATOM 1073 CB ILE A 131 12.950 -41.915 -10.174 1.00 8.29 C -ANISOU 1073 CB ILE A 131 1183 1361 605 -144 -207 -225 C -ATOM 1074 CG1 ILE A 131 12.351 -40.515 -10.008 1.00 9.23 C -ANISOU 1074 CG1 ILE A 131 1303 1550 652 -1 -178 -4 C -ATOM 1075 CG2 ILE A 131 12.066 -42.797 -11.065 1.00 9.70 C -ANISOU 1075 CG2 ILE A 131 1387 1610 690 -166 -288 -260 C -ATOM 1076 CD1 ILE A 131 12.164 -39.781 -11.326 1.00 9.96 C -ANISOU 1076 CD1 ILE A 131 1386 1695 704 39 -268 26 C -ATOM 1077 N PRO A 132 15.261 -41.417 -8.187 1.00 6.41 N -ANISOU 1077 N PRO A 132 1032 1087 315 -75 -101 -72 N -ATOM 1078 CA PRO A 132 16.112 -40.834 -7.145 1.00 6.27 C -ANISOU 1078 CA PRO A 132 1030 1014 340 -79 -132 -70 C -ATOM 1079 C PRO A 132 15.482 -39.614 -6.489 1.00 6.09 C -ANISOU 1079 C PRO A 132 981 1008 326 -139 -143 -6 C -ATOM 1080 O PRO A 132 15.040 -38.692 -7.168 1.00 6.60 O -ANISOU 1080 O PRO A 132 1061 1095 354 -85 -189 31 O -ATOM 1081 CB PRO A 132 17.400 -40.528 -7.904 1.00 6.40 C -ANISOU 1081 CB PRO A 132 1011 1106 313 -17 -90 -82 C -ATOM 1082 CG PRO A 132 17.488 -41.640 -8.910 1.00 6.71 C -ANISOU 1082 CG PRO A 132 1059 1167 322 -20 -77 -98 C -ATOM 1083 CD PRO A 132 16.054 -41.807 -9.369 1.00 6.55 C -ANISOU 1083 CD PRO A 132 1056 1119 314 -13 -47 -123 C -ATOM 1084 N LEU A 133 15.427 -39.639 -5.162 1.00 5.99 N -ANISOU 1084 N LEU A 133 929 1008 339 -93 -112 -57 N -ATOM 1085 CA LEU A 133 14.474 -38.791 -4.461 1.00 5.82 C -ANISOU 1085 CA LEU A 133 843 1011 358 -130 -74 7 C -ATOM 1086 C LEU A 133 14.862 -37.326 -4.427 1.00 5.53 C -ANISOU 1086 C LEU A 133 826 933 343 -159 -141 -91 C -ATOM 1087 O LEU A 133 13.994 -36.467 -4.251 1.00 6.26 O -ANISOU 1087 O LEU A 133 895 957 526 -26 -53 -8 O -ATOM 1088 CB LEU A 133 14.180 -39.329 -3.060 1.00 6.29 C -ANISOU 1088 CB LEU A 133 949 1017 424 -57 -4 74 C -ATOM 1089 CG LEU A 133 13.240 -40.556 -3.001 1.00 7.26 C -ANISOU 1089 CG LEU A 133 1099 1080 581 -57 77 134 C -ATOM 1090 CD1 LEU A 133 13.978 -41.852 -3.203 1.00 7.15 C -ANISOU 1090 CD1 LEU A 133 1065 1034 616 -182 21 55 C -ATOM 1091 CD2 LEU A 133 12.468 -40.573 -1.722 1.00 8.30 C -ANISOU 1091 CD2 LEU A 133 1167 1281 704 -120 203 24 C -ATOM 1092 N SER A 134 16.132 -37.032 -4.649 1.00 5.20 N -ANISOU 1092 N SER A 134 776 922 277 -112 -25 -26 N -ATOM 1093 CA SER A 134 16.575 -35.651 -4.744 1.00 5.48 C -ANISOU 1093 CA SER A 134 830 975 278 -127 -24 -60 C -ATOM 1094 C SER A 134 16.013 -34.943 -5.981 1.00 5.62 C -ANISOU 1094 C SER A 134 924 926 283 -91 -65 -89 C -ATOM 1095 O SER A 134 16.172 -33.737 -6.105 1.00 6.38 O -ANISOU 1095 O SER A 134 1032 1026 368 -57 -27 21 O -ATOM 1096 CB SER A 134 18.091 -35.558 -4.722 1.00 6.01 C -ANISOU 1096 CB SER A 134 933 1050 299 -66 -53 -103 C -ATOM 1097 OG SER A 134 18.610 -36.287 -5.806 1.00 6.85 O -ANISOU 1097 OG SER A 134 910 1313 378 -21 10 -176 O -ATOM 1098 N GLY A 135 15.390 -35.673 -6.910 1.00 5.82 N -ANISOU 1098 N GLY A 135 981 943 288 -56 -35 1 N -ATOM 1099 CA GLY A 135 14.741 -35.040 -8.049 1.00 6.94 C -ANISOU 1099 CA GLY A 135 1139 1183 316 15 -45 82 C -ATOM 1100 C GLY A 135 13.515 -34.210 -7.678 1.00 6.56 C -ANISOU 1100 C GLY A 135 1057 1098 339 -88 -162 -3 C -ATOM 1101 O GLY A 135 12.996 -33.494 -8.520 1.00 7.03 O -ANISOU 1101 O GLY A 135 1111 1161 398 114 -146 158 O -ATOM 1102 N GLY A 136 13.025 -34.332 -6.449 1.00 6.08 N -ANISOU 1102 N GLY A 136 990 960 362 28 -183 -75 N -ATOM 1103 CA GLY A 136 11.890 -33.552 -5.981 1.00 6.36 C -ANISOU 1103 CA GLY A 136 962 1057 399 -26 -197 -186 C -ATOM 1104 C GLY A 136 12.341 -32.388 -5.127 1.00 5.48 C -ANISOU 1104 C GLY A 136 870 931 280 4 -126 -83 C -ATOM 1105 O GLY A 136 12.927 -32.583 -4.059 1.00 5.89 O -ANISOU 1105 O GLY A 136 891 1020 326 -15 -197 -13 O -ATOM 1106 N ILE A 137 12.078 -31.166 -5.569 1.00 5.91 N -ANISOU 1106 N ILE A 137 880 1026 339 -53 -198 -53 N -ATOM 1107 CA ILE A 137 12.453 -30.007 -4.780 1.00 5.82 C -ANISOU 1107 CA ILE A 137 906 935 371 -48 -176 -7 C -ATOM 1108 C ILE A 137 11.709 -30.018 -3.435 1.00 5.40 C -ANISOU 1108 C ILE A 137 830 894 327 -26 -219 3 C -ATOM 1109 O ILE A 137 12.278 -29.655 -2.406 1.00 6.11 O -ANISOU 1109 O ILE A 137 907 1003 411 -88 -200 -18 O -ATOM 1110 CB ILE A 137 12.243 -28.687 -5.559 1.00 7.65 C -ANISOU 1110 CB ILE A 137 1299 1039 568 69 -86 7 C -ATOM 1111 CG1 ILE A 137 12.758 -27.517 -4.720 1.00 9.72 C -ANISOU 1111 CG1 ILE A 137 1803 1184 705 103 112 179 C -ATOM 1112 CG2 ILE A 137 10.783 -28.489 -5.967 1.00 8.47 C -ANISOU 1112 CG2 ILE A 137 1325 1205 690 228 -87 162 C -ATOM 1113 CD1 ILE A 137 12.880 -26.247 -5.472 1.00 11.30 C -ANISOU 1113 CD1 ILE A 137 1934 1515 843 87 90 211 C -ATOM 1114 N ASP A 138 10.436 -30.413 -3.431 1.00 5.52 N -ANISOU 1114 N ASP A 138 773 1002 321 25 -169 -59 N -ATOM 1115 CA ASP A 138 9.715 -30.523 -2.174 1.00 5.28 C -ANISOU 1115 CA ASP A 138 793 903 313 -32 -153 -100 C -ATOM 1116 C ASP A 138 10.342 -31.544 -1.242 1.00 5.23 C -ANISOU 1116 C ASP A 138 744 904 338 -121 -147 -128 C -ATOM 1117 O ASP A 138 10.351 -31.339 -0.034 1.00 5.84 O -ANISOU 1117 O ASP A 138 828 1089 301 -42 -60 -86 O -ATOM 1118 CB ASP A 138 8.203 -30.768 -2.361 1.00 5.89 C -ANISOU 1118 CB ASP A 138 849 915 473 74 -217 -50 C -ATOM 1119 CG ASP A 138 7.841 -31.951 -3.257 1.00 7.05 C -ANISOU 1119 CG ASP A 138 891 1133 654 67 -283 -110 C -ATOM 1120 OD1 ASP A 138 8.711 -32.696 -3.736 1.00 8.37 O -ANISOU 1120 OD1 ASP A 138 982 1297 899 124 -443 -393 O -ATOM 1121 OD2 ASP A 138 6.611 -32.142 -3.455 1.00 6.89 O -ANISOU 1121 OD2 ASP A 138 904 1114 600 -49 -248 -79 O -ATOM 1122 N VAL A 139 10.885 -32.618 -1.792 1.00 5.68 N -ANISOU 1122 N VAL A 139 858 988 314 -63 -168 -42 N -ATOM 1123 CA VAL A 139 11.575 -33.628 -0.995 1.00 5.39 C -ANISOU 1123 CA VAL A 139 834 881 333 -115 -160 -26 C -ATOM 1124 C VAL A 139 12.848 -33.061 -0.362 1.00 4.87 C -ANISOU 1124 C VAL A 139 710 865 276 -122 -120 45 C -ATOM 1125 O VAL A 139 13.084 -33.214 0.842 1.00 5.32 O -ANISOU 1125 O VAL A 139 758 980 282 -63 -110 -6 O -ATOM 1126 CB VAL A 139 11.911 -34.878 -1.843 1.00 5.78 C -ANISOU 1126 CB VAL A 139 955 852 388 -93 -121 -25 C -ATOM 1127 CG1 VAL A 139 12.697 -35.869 -1.008 1.00 6.18 C -ANISOU 1127 CG1 VAL A 139 914 956 477 -58 -31 -43 C -ATOM 1128 CG2 VAL A 139 10.631 -35.498 -2.391 1.00 6.23 C -ANISOU 1128 CG2 VAL A 139 1070 917 379 45 -163 -89 C -ATOM 1129 N VAL A 140 13.677 -32.411 -1.163 1.00 5.04 N -ANISOU 1129 N VAL A 140 724 911 280 -102 -122 -3 N -ATOM 1130 CA VAL A 140 14.913 -31.836 -0.644 1.00 4.99 C -ANISOU 1130 CA VAL A 140 702 916 277 -150 -86 -21 C -ATOM 1131 C VAL A 140 14.591 -30.829 0.460 1.00 5.17 C -ANISOU 1131 C VAL A 140 728 960 275 -129 -74 5 C -ATOM 1132 O VAL A 140 15.199 -30.842 1.538 1.00 5.26 O -ANISOU 1132 O VAL A 140 778 951 270 -115 -25 -66 O -ATOM 1133 CB VAL A 140 15.741 -31.197 -1.775 1.00 4.93 C -ANISOU 1133 CB VAL A 140 746 863 265 -117 -103 4 C -ATOM 1134 CG1 VAL A 140 16.905 -30.389 -1.188 1.00 5.18 C -ANISOU 1134 CG1 VAL A 140 775 926 268 -66 -27 108 C -ATOM 1135 CG2 VAL A 140 16.245 -32.278 -2.738 1.00 5.22 C -ANISOU 1135 CG2 VAL A 140 764 950 269 -101 -75 -12 C -ATOM 1136 N ALA A 141 13.639 -29.945 0.203 1.00 4.84 N -ANISOU 1136 N ALA A 141 698 865 277 -50 -138 -61 N -ATOM 1137 CA ALA A 141 13.288 -28.955 1.193 1.00 5.43 C -ANISOU 1137 CA ALA A 141 854 920 288 8 -147 -55 C -ATOM 1138 C ALA A 141 12.643 -29.600 2.433 1.00 5.50 C -ANISOU 1138 C ALA A 141 868 946 275 13 -97 -54 C -ATOM 1139 O ALA A 141 12.837 -29.116 3.548 1.00 5.31 O -ANISOU 1139 O ALA A 141 857 913 249 -15 -84 9 O -ATOM 1140 CB ALA A 141 12.403 -27.880 0.583 1.00 5.76 C -ANISOU 1140 CB ALA A 141 823 1070 296 -49 -93 -31 C -ATOM 1141 N HIS A 142 11.871 -30.669 2.248 1.00 4.94 N -ANISOU 1141 N HIS A 142 695 913 267 -61 -90 73 N -ATOM 1142 CA HIS A 142 11.336 -31.434 3.369 1.00 4.74 C -ANISOU 1142 CA HIS A 142 636 914 251 -44 -64 -5 C -ATOM 1143 C HIS A 142 12.478 -31.908 4.273 1.00 4.63 C -ANISOU 1143 C HIS A 142 701 799 258 -88 -65 -111 C -ATOM 1144 O HIS A 142 12.421 -31.787 5.505 1.00 4.99 O -ANISOU 1144 O HIS A 142 631 985 281 -55 -90 -34 O -ATOM 1145 CB HIS A 142 10.505 -32.603 2.803 1.00 4.98 C -ANISOU 1145 CB HIS A 142 624 951 318 -22 -159 -12 C -ATOM 1146 CG HIS A 142 9.944 -33.527 3.845 1.00 4.78 C -ANISOU 1146 CG HIS A 142 675 867 273 -133 -110 -9 C -ATOM 1147 ND1 HIS A 142 8.594 -33.642 4.107 1.00 5.03 N -ANISOU 1147 ND1 HIS A 142 722 928 262 -12 -100 -21 N -ATOM 1148 CD2 HIS A 142 10.558 -34.415 4.668 1.00 4.63 C -ANISOU 1148 CD2 HIS A 142 660 843 255 -128 -77 14 C -ATOM 1149 CE1 HIS A 142 8.411 -34.541 5.064 1.00 5.09 C -ANISOU 1149 CE1 HIS A 142 636 983 315 -140 -121 -29 C -ATOM 1150 NE2 HIS A 142 9.587 -35.038 5.412 1.00 5.67 N -ANISOU 1150 NE2 HIS A 142 762 999 391 -85 -129 -170 N -ATOM 1151 N GLU A 143 13.508 -32.475 3.653 1.00 4.70 N -ANISOU 1151 N GLU A 143 749 801 237 42 -106 -9 N -ATOM 1152 CA GLU A 143 14.623 -32.998 4.428 1.00 4.52 C -ANISOU 1152 CA GLU A 143 726 762 228 8 -78 27 C -ATOM 1153 C GLU A 143 15.388 -31.899 5.155 1.00 5.21 C -ANISOU 1153 C GLU A 143 661 1030 290 -80 -83 -29 C -ATOM 1154 O GLU A 143 15.710 -32.037 6.343 1.00 5.41 O -ANISOU 1154 O GLU A 143 736 1029 290 -54 -99 -15 O -ATOM 1155 CB GLU A 143 15.567 -33.834 3.567 1.00 5.98 C -ANISOU 1155 CB GLU A 143 808 1037 427 32 -99 -61 C -ATOM 1156 CG GLU A 143 14.932 -35.003 2.789 1.00 6.19 C -ANISOU 1156 CG GLU A 143 883 931 538 -68 -78 -99 C -ATOM 1157 CD GLU A 143 14.011 -35.888 3.592 1.00 8.59 C -ANISOU 1157 CD GLU A 143 1263 1219 783 23 27 -175 C -ATOM 1158 OE1 GLU A 143 14.190 -36.012 4.813 1.00 9.13 O -ANISOU 1158 OE1 GLU A 143 1585 1077 806 201 57 70 O -ATOM 1159 OE2 GLU A 143 13.063 -36.429 2.993 1.00 10.45 O -ANISOU 1159 OE2 GLU A 143 1472 1464 1034 -256 189 -14 O -ATOM 1160 N LEU A 144 15.708 -30.813 4.463 1.00 5.06 N -ANISOU 1160 N LEU A 144 625 923 375 -182 -170 -55 N -ATOM 1161 CA LEU A 144 16.465 -29.749 5.128 1.00 5.82 C -ANISOU 1161 CA LEU A 144 768 979 465 -104 -186 -72 C -ATOM 1162 C LEU A 144 15.633 -29.137 6.245 1.00 5.52 C -ANISOU 1162 C LEU A 144 781 928 387 -131 -178 -146 C -ATOM 1163 O LEU A 144 16.160 -28.718 7.276 1.00 5.78 O -ANISOU 1163 O LEU A 144 742 1111 342 -167 -74 -110 O -ATOM 1164 CB LEU A 144 16.912 -28.690 4.125 1.00 7.63 C -ANISOU 1164 CB LEU A 144 1021 1208 670 -192 -79 15 C -ATOM 1165 CG LEU A 144 17.977 -27.709 4.651 1.00 10.53 C -ANISOU 1165 CG LEU A 144 1392 1618 992 -237 -50 134 C -ATOM 1166 CD1 LEU A 144 19.132 -28.367 5.369 1.00 11.72 C -ANISOU 1166 CD1 LEU A 144 1503 1902 1047 -301 -58 9 C -ATOM 1167 CD2 LEU A 144 18.533 -26.878 3.490 1.00 12.18 C -ANISOU 1167 CD2 LEU A 144 1626 1837 1167 -302 -157 225 C -ATOM 1168 N THR A 145 14.316 -29.106 6.054 1.00 5.30 N -ANISOU 1168 N THR A 145 739 952 322 -72 -167 -70 N -ATOM 1169 CA THR A 145 13.449 -28.555 7.080 1.00 5.14 C -ANISOU 1169 CA THR A 145 792 873 289 -89 -97 -84 C -ATOM 1170 C THR A 145 13.475 -29.407 8.360 1.00 5.05 C -ANISOU 1170 C THR A 145 785 834 301 -78 -18 -22 C -ATOM 1171 O THR A 145 13.316 -28.867 9.446 1.00 5.45 O -ANISOU 1171 O THR A 145 844 940 288 -49 -23 -77 O -ATOM 1172 CB THR A 145 12.016 -28.332 6.538 1.00 5.07 C -ANISOU 1172 CB THR A 145 787 828 311 -130 -25 82 C -ATOM 1173 OG1 THR A 145 12.081 -27.350 5.494 1.00 5.72 O -ANISOU 1173 OG1 THR A 145 847 890 436 -67 -33 72 O -ATOM 1174 CG2 THR A 145 11.085 -27.813 7.625 1.00 5.62 C -ANISOU 1174 CG2 THR A 145 884 923 328 -54 -83 12 C -ATOM 1175 N HIS A 146 13.684 -30.720 8.258 1.00 5.20 N -ANISOU 1175 N HIS A 146 832 875 268 -77 -117 -20 N -ATOM 1176 CA HIS A 146 13.879 -31.510 9.461 1.00 5.13 C -ANISOU 1176 CA HIS A 146 787 847 317 -75 -24 -4 C -ATOM 1177 C HIS A 146 15.054 -30.965 10.285 1.00 5.30 C -ANISOU 1177 C HIS A 146 777 904 334 -141 -25 -6 C -ATOM 1178 O HIS A 146 14.978 -30.921 11.511 1.00 6.05 O -ANISOU 1178 O HIS A 146 933 1025 343 -151 -63 -33 O -ATOM 1179 CB HIS A 146 14.109 -32.981 9.126 1.00 5.60 C -ANISOU 1179 CB HIS A 146 855 841 433 -84 14 72 C -ATOM 1180 CG HIS A 146 12.857 -33.754 8.854 1.00 5.07 C -ANISOU 1180 CG HIS A 146 753 831 341 -167 -37 109 C -ATOM 1181 ND1 HIS A 146 11.799 -33.784 9.738 1.00 5.37 N -ANISOU 1181 ND1 HIS A 146 837 920 281 -110 25 13 N -ATOM 1182 CD2 HIS A 146 12.495 -34.547 7.813 1.00 5.25 C -ANISOU 1182 CD2 HIS A 146 665 956 375 -61 -32 57 C -ATOM 1183 CE1 HIS A 146 10.845 -34.560 9.248 1.00 5.45 C -ANISOU 1183 CE1 HIS A 146 785 953 335 -168 48 -186 C -ATOM 1184 NE2 HIS A 146 11.248 -35.049 8.090 1.00 5.39 N -ANISOU 1184 NE2 HIS A 146 801 863 385 -1 -12 -70 N -ATOM 1185 N ALA A 147 16.139 -30.569 9.626 1.00 5.21 N -ANISOU 1185 N ALA A 147 613 1040 326 -170 -83 -78 N -ATOM 1186 CA ALA A 147 17.275 -29.970 10.330 1.00 5.52 C -ANISOU 1186 CA ALA A 147 710 1038 352 -95 -88 22 C -ATOM 1187 C ALA A 147 16.868 -28.662 11.013 1.00 5.74 C -ANISOU 1187 C ALA A 147 750 1059 371 -132 -79 -95 C -ATOM 1188 O ALA A 147 17.247 -28.405 12.154 1.00 6.20 O -ANISOU 1188 O ALA A 147 939 1065 352 -19 -119 1 O -ATOM 1189 CB ALA A 147 18.421 -29.748 9.386 1.00 6.27 C -ANISOU 1189 CB ALA A 147 816 1174 393 -81 -159 -40 C -ATOM 1190 N VAL A 148 16.125 -27.813 10.310 1.00 5.79 N -ANISOU 1190 N VAL A 148 801 1028 372 -97 -104 -175 N -ATOM 1191 CA VAL A 148 15.605 -26.577 10.909 1.00 5.89 C -ANISOU 1191 CA VAL A 148 895 955 389 -164 -91 -138 C -ATOM 1192 C VAL A 148 14.780 -26.879 12.146 1.00 6.00 C -ANISOU 1192 C VAL A 148 881 1007 391 -103 -70 -174 C -ATOM 1193 O VAL A 148 14.995 -26.288 13.200 1.00 6.28 O -ANISOU 1193 O VAL A 148 942 1023 423 -81 -11 -160 O -ATOM 1194 CB VAL A 148 14.791 -25.762 9.874 1.00 6.09 C -ANISOU 1194 CB VAL A 148 830 1052 430 -239 -82 -67 C -ATOM 1195 CG1 VAL A 148 14.133 -24.548 10.533 1.00 6.55 C -ANISOU 1195 CG1 VAL A 148 874 1098 517 -50 -17 -8 C -ATOM 1196 CG2 VAL A 148 15.661 -25.357 8.681 1.00 6.31 C -ANISOU 1196 CG2 VAL A 148 934 1061 403 -167 -130 -25 C -ATOM 1197 N THR A 149 13.831 -27.795 12.032 1.00 5.92 N -ANISOU 1197 N THR A 149 885 1024 340 -62 -24 -169 N -ATOM 1198 CA THR A 149 13.037 -28.180 13.188 1.00 5.85 C -ANISOU 1198 CA THR A 149 887 927 410 -122 -58 -77 C -ATOM 1199 C THR A 149 13.914 -28.659 14.336 1.00 6.11 C -ANISOU 1199 C THR A 149 1026 925 372 -26 -64 -158 C -ATOM 1200 O THR A 149 13.716 -28.241 15.477 1.00 6.51 O -ANISOU 1200 O THR A 149 1090 1007 377 -83 -88 -218 O -ATOM 1201 CB THR A 149 12.032 -29.249 12.774 1.00 6.71 C -ANISOU 1201 CB THR A 149 983 1044 521 1 -27 -57 C -ATOM 1202 OG1 THR A 149 11.131 -28.636 11.854 1.00 6.39 O -ANISOU 1202 OG1 THR A 149 852 984 593 -96 -133 -42 O -ATOM 1203 CG2 THR A 149 11.301 -29.812 13.982 1.00 7.75 C -ANISOU 1203 CG2 THR A 149 1085 1223 637 -179 12 -18 C -ATOM 1204 N ASP A 150 14.878 -29.523 14.052 1.00 6.34 N -ANISOU 1204 N ASP A 150 1073 944 391 51 -105 -124 N -ATOM 1205 CA ASP A 150 15.697 -30.070 15.112 1.00 7.24 C -ANISOU 1205 CA ASP A 150 1304 1060 386 119 -160 -9 C -ATOM 1206 C ASP A 150 16.494 -29.006 15.849 1.00 6.82 C -ANISOU 1206 C ASP A 150 1182 1074 333 21 -142 -7 C -ATOM 1207 O ASP A 150 16.759 -29.160 17.042 1.00 7.05 O -ANISOU 1207 O ASP A 150 1192 1136 349 30 -167 -25 O -ATOM 1208 CB ASP A 150 16.617 -31.150 14.549 1.00 7.83 C -ANISOU 1208 CB ASP A 150 1439 1103 432 134 -210 -42 C -ATOM 1209 CG ASP A 150 15.861 -32.414 14.101 1.00 8.21 C -ANISOU 1209 CG ASP A 150 1559 1072 490 38 -120 -123 C -ATOM 1210 OD1 ASP A 150 14.629 -32.512 14.311 1.00 9.88 O -ANISOU 1210 OD1 ASP A 150 1799 1341 613 -38 -231 -134 O -ATOM 1211 OD2 ASP A 150 16.491 -33.278 13.494 1.00 10.27 O -ANISOU 1211 OD2 ASP A 150 1977 1222 704 135 5 32 O -ATOM 1212 N TYR A 151 16.890 -27.942 15.153 1.00 6.76 N -ANISOU 1212 N TYR A 151 1036 1120 411 111 -179 -101 N -ATOM 1213 CA TYR A 151 17.631 -26.855 15.760 1.00 7.58 C -ANISOU 1213 CA TYR A 151 934 1354 591 -33 -79 -150 C -ATOM 1214 C TYR A 151 16.743 -25.827 16.445 1.00 7.78 C -ANISOU 1214 C TYR A 151 941 1291 724 -82 -118 -411 C -ATOM 1215 O TYR A 151 17.265 -24.967 17.157 1.00 9.74 O -ANISOU 1215 O TYR A 151 1071 1610 1018 -77 -141 -655 O -ATOM 1216 CB TYR A 151 18.534 -26.156 14.724 1.00 8.18 C -ANISOU 1216 CB TYR A 151 951 1502 656 -54 17 63 C -ATOM 1217 CG TYR A 151 19.899 -26.815 14.611 1.00 10.86 C -ANISOU 1217 CG TYR A 151 1156 2032 937 -51 -9 256 C -ATOM 1218 CD1 TYR A 151 20.957 -26.433 15.408 1.00 12.45 C -ANISOU 1218 CD1 TYR A 151 1129 2523 1080 -7 -13 224 C -ATOM 1219 CD2 TYR A 151 20.083 -27.898 13.765 1.00 12.51 C -ANISOU 1219 CD2 TYR A 151 1389 2274 1092 279 -11 334 C -ATOM 1220 CE1 TYR A 151 22.194 -27.090 15.312 1.00 13.61 C -ANISOU 1220 CE1 TYR A 151 1244 2694 1232 78 -76 328 C -ATOM 1221 CE2 TYR A 151 21.281 -28.550 13.670 1.00 14.39 C -ANISOU 1221 CE2 TYR A 151 1522 2672 1273 342 4 374 C -ATOM 1222 CZ TYR A 151 22.334 -28.151 14.439 1.00 14.85 C -ANISOU 1222 CZ TYR A 151 1400 2902 1340 235 -25 380 C -ATOM 1223 OH TYR A 151 23.535 -28.831 14.340 1.00 17.70 O -ANISOU 1223 OH TYR A 151 1720 3446 1561 573 41 257 O -ATOM 1224 N THR A 152 15.426 -25.887 16.243 1.00 6.70 N -ANISOU 1224 N THR A 152 934 1027 583 -66 -112 -245 N -ATOM 1225 CA THR A 152 14.506 -24.872 16.751 1.00 6.78 C -ANISOU 1225 CA THR A 152 1043 1008 524 -92 -27 -222 C -ATOM 1226 C THR A 152 13.529 -25.543 17.715 1.00 6.57 C -ANISOU 1226 C THR A 152 968 1094 433 -30 -106 -169 C -ATOM 1227 O THR A 152 13.884 -25.823 18.864 1.00 7.52 O -ANISOU 1227 O THR A 152 1155 1304 400 -76 -208 -40 O -ATOM 1228 CB THR A 152 13.838 -24.085 15.583 1.00 7.05 C -ANISOU 1228 CB THR A 152 1118 946 614 -78 157 -97 C -ATOM 1229 OG1 THR A 152 13.071 -24.947 14.745 1.00 6.87 O -ANISOU 1229 OG1 THR A 152 1024 975 612 65 91 -70 O -ATOM 1230 CG2 THR A 152 14.893 -23.379 14.759 1.00 7.81 C -ANISOU 1230 CG2 THR A 152 1197 1049 719 -35 180 -68 C -ATOM 1231 N ALA A 153 12.311 -25.841 17.274 1.00 6.02 N -ANISOU 1231 N ALA A 153 872 959 456 -33 -59 -101 N -ATOM 1232 CA ALA A 153 11.312 -26.416 18.167 1.00 6.18 C -ANISOU 1232 CA ALA A 153 965 920 463 -28 3 63 C -ATOM 1233 C ALA A 153 11.768 -27.740 18.760 1.00 6.38 C -ANISOU 1233 C ALA A 153 1034 945 445 -34 -92 -3 C -ATOM 1234 O ALA A 153 11.473 -28.049 19.911 1.00 6.94 O -ANISOU 1234 O ALA A 153 1145 1084 407 -51 -27 60 O -ATOM 1235 CB ALA A 153 10.010 -26.619 17.436 1.00 6.50 C -ANISOU 1235 CB ALA A 153 989 935 548 -127 -2 130 C -ATOM 1236 N GLY A 154 12.431 -28.555 17.957 1.00 6.24 N -ANISOU 1236 N GLY A 154 1122 827 422 -26 -123 -31 N -ATOM 1237 CA GLY A 154 12.942 -29.830 18.446 1.00 6.45 C -ANISOU 1237 CA GLY A 154 1027 993 430 -64 -178 -44 C -ATOM 1238 C GLY A 154 11.877 -30.901 18.635 1.00 6.69 C -ANISOU 1238 C GLY A 154 1091 1024 425 -52 -224 8 C -ATOM 1239 O GLY A 154 12.032 -31.817 19.450 1.00 7.04 O -ANISOU 1239 O GLY A 154 1168 1056 449 -137 -294 10 O -ATOM 1240 N LEU A 155 10.790 -30.771 17.890 1.00 6.51 N -ANISOU 1240 N LEU A 155 1083 964 427 -75 -210 -48 N -ATOM 1241 CA LEU A 155 9.662 -31.692 17.968 1.00 6.30 C -ANISOU 1241 CA LEU A 155 1029 936 429 -117 -163 -1 C -ATOM 1242 C LEU A 155 10.099 -33.140 17.937 1.00 6.20 C -ANISOU 1242 C LEU A 155 984 940 433 -94 -152 -11 C -ATOM 1243 O LEU A 155 10.676 -33.601 16.964 1.00 7.06 O -ANISOU 1243 O LEU A 155 1145 997 542 68 -55 55 O -ATOM 1244 CB LEU A 155 8.711 -31.394 16.812 1.00 6.77 C -ANISOU 1244 CB LEU A 155 1083 1057 432 -21 -84 -4 C -ATOM 1245 CG LEU A 155 8.012 -30.027 16.883 1.00 7.04 C -ANISOU 1245 CG LEU A 155 1066 1086 522 -83 -76 11 C -ATOM 1246 CD1 LEU A 155 7.634 -29.575 15.498 1.00 7.58 C -ANISOU 1246 CD1 LEU A 155 1046 1317 517 13 -145 100 C -ATOM 1247 CD2 LEU A 155 6.793 -30.065 17.779 1.00 7.86 C -ANISOU 1247 CD2 LEU A 155 1194 1181 610 11 -121 -127 C -ATOM 1248 N ILE A 156 9.764 -33.847 19.002 1.00 6.50 N -ANISOU 1248 N ILE A 156 1031 930 507 -126 -116 2 N -ATOM 1249 CA AILE A 156 10.097 -35.260 19.157 0.71 7.00 C -ANISOU 1249 CA AILE A 156 1164 972 523 -204 -155 57 C -ATOM 1250 CA BILE A 156 10.086 -35.266 19.151 0.29 7.12 C -ANISOU 1250 CA BILE A 156 1191 974 541 -47 -138 48 C -ATOM 1251 C ILE A 156 9.401 -36.063 18.048 1.00 6.39 C -ANISOU 1251 C ILE A 156 1048 834 545 -118 -134 48 C -ATOM 1252 O ILE A 156 8.236 -35.827 17.741 1.00 6.66 O -ANISOU 1252 O ILE A 156 976 937 617 20 -139 -1 O -ATOM 1253 CB AILE A 156 9.661 -35.745 20.578 0.71 8.62 C -ANISOU 1253 CB AILE A 156 1584 1166 525 -55 -219 -21 C -ATOM 1254 CB BILE A 156 9.619 -35.792 20.537 0.29 8.63 C -ANISOU 1254 CB BILE A 156 1549 1161 568 213 -174 30 C -ATOM 1255 CG1AILE A 156 10.426 -34.983 21.668 0.71 9.62 C -ANISOU 1255 CG1AILE A 156 1732 1349 573 -24 -196 -81 C -ATOM 1256 CG1BILE A 156 10.303 -35.013 21.665 0.29 9.44 C -ANISOU 1256 CG1BILE A 156 1714 1296 576 394 -174 -9 C -ATOM 1257 CG2AILE A 156 9.844 -37.247 20.756 0.71 9.69 C -ANISOU 1257 CG2AILE A 156 1808 1259 616 -16 -108 35 C -ATOM 1258 CG2BILE A 156 9.881 -37.285 20.678 0.29 9.32 C -ANISOU 1258 CG2BILE A 156 1687 1221 632 237 -140 67 C -ATOM 1259 CD1AILE A 156 9.696 -34.991 23.026 0.71 10.19 C -ANISOU 1259 CD1AILE A 156 1874 1389 610 90 -117 -28 C -ATOM 1260 CD1BILE A 156 11.762 -34.840 21.475 0.29 9.70 C -ANISOU 1260 CD1BILE A 156 1797 1311 577 548 -159 -8 C -ATOM 1261 N TYR A 157 10.102 -37.018 17.445 1.00 6.11 N -ANISOU 1261 N TYR A 157 865 971 484 -134 -160 -8 N -ATOM 1262 CA TYR A 157 9.609 -37.695 16.238 1.00 5.85 C -ANISOU 1262 CA TYR A 157 842 896 486 -122 -136 21 C -ATOM 1263 C TYR A 157 8.697 -38.885 16.541 1.00 6.37 C -ANISOU 1263 C TYR A 157 949 935 538 -54 -97 76 C -ATOM 1264 O TYR A 157 8.919 -40.004 16.089 1.00 6.74 O -ANISOU 1264 O TYR A 157 999 960 602 -78 -40 9 O -ATOM 1265 CB TYR A 157 10.784 -38.106 15.359 1.00 6.34 C -ANISOU 1265 CB TYR A 157 911 1019 478 -65 -86 -27 C -ATOM 1266 CG TYR A 157 10.446 -38.292 13.898 1.00 6.31 C -ANISOU 1266 CG TYR A 157 851 1054 493 -188 -64 32 C -ATOM 1267 CD1 TYR A 157 10.006 -37.233 13.135 1.00 6.65 C -ANISOU 1267 CD1 TYR A 157 932 1085 508 -100 -35 36 C -ATOM 1268 CD2 TYR A 157 10.595 -39.526 13.275 1.00 7.12 C -ANISOU 1268 CD2 TYR A 157 1013 1150 542 -132 -69 62 C -ATOM 1269 CE1 TYR A 157 9.746 -37.375 11.786 1.00 6.88 C -ANISOU 1269 CE1 TYR A 157 984 1137 494 -198 -135 -17 C -ATOM 1270 CE2 TYR A 157 10.336 -39.682 11.926 1.00 7.38 C -ANISOU 1270 CE2 TYR A 157 1032 1250 523 -6 -12 104 C -ATOM 1271 CZ TYR A 157 9.919 -38.597 11.189 1.00 6.91 C -ANISOU 1271 CZ TYR A 157 964 1204 458 -175 -65 37 C -ATOM 1272 OH TYR A 157 9.670 -38.797 9.854 1.00 7.44 O -ANISOU 1272 OH TYR A 157 1046 1291 491 -106 -77 15 O -ATOM 1273 N GLN A 158 7.606 -38.616 17.245 1.00 6.73 N -ANISOU 1273 N GLN A 158 916 1019 623 -48 -69 133 N -ATOM 1274 CA GLN A 158 6.596 -39.634 17.479 1.00 8.02 C -ANISOU 1274 CA GLN A 158 1003 1226 817 -252 12 305 C -ATOM 1275 C GLN A 158 5.292 -38.950 17.870 1.00 7.40 C -ANISOU 1275 C GLN A 158 960 1121 730 -161 28 157 C -ATOM 1276 O GLN A 158 5.280 -37.820 18.396 1.00 7.40 O -ANISOU 1276 O GLN A 158 988 1178 646 -174 -14 44 O -ATOM 1277 CB GLN A 158 7.025 -40.629 18.543 1.00 12.25 C -ANISOU 1277 CB GLN A 158 1512 1920 1221 24 46 407 C -ATOM 1278 CG GLN A 158 7.166 -40.070 19.873 1.00 15.49 C -ANISOU 1278 CG GLN A 158 2096 2315 1475 295 -32 269 C -ATOM 1279 CD GLN A 158 7.371 -41.159 20.915 1.00 19.13 C -ANISOU 1279 CD GLN A 158 2785 2862 1621 769 4 268 C -ATOM 1280 OE1 GLN A 158 7.497 -42.352 20.586 1.00 21.19 O -ANISOU 1280 OE1 GLN A 158 3321 2974 1755 868 -42 221 O -ATOM 1281 NE2 GLN A 158 7.414 -40.763 22.173 1.00 19.83 N -ANISOU 1281 NE2 GLN A 158 2928 3049 1555 830 100 458 N -ATOM 1282 N ASN A 159 4.189 -39.640 17.617 1.00 7.56 N -ANISOU 1282 N ASN A 159 991 1096 785 -93 29 84 N -ATOM 1283 CA ASN A 159 2.865 -39.192 18.042 1.00 7.82 C -ANISOU 1283 CA ASN A 159 1017 1232 722 -226 95 217 C -ATOM 1284 C ASN A 159 2.574 -37.777 17.543 1.00 7.26 C -ANISOU 1284 C ASN A 159 903 1206 651 -240 77 135 C -ATOM 1285 O ASN A 159 2.948 -37.444 16.418 1.00 7.23 O -ANISOU 1285 O ASN A 159 942 1164 643 -188 48 95 O -ATOM 1286 CB ASN A 159 2.708 -39.409 19.546 1.00 9.24 C -ANISOU 1286 CB ASN A 159 1371 1302 836 -139 170 304 C -ATOM 1287 CG ASN A 159 2.936 -40.859 19.914 1.00 11.80 C -ANISOU 1287 CG ASN A 159 1949 1512 1021 -64 44 260 C -ATOM 1288 OD1 ASN A 159 2.625 -41.751 19.134 1.00 12.18 O -ANISOU 1288 OD1 ASN A 159 1990 1544 1094 -207 15 262 O -ATOM 1289 ND2 ASN A 159 3.558 -41.097 21.054 1.00 14.64 N -ANISOU 1289 ND2 ASN A 159 2497 1879 1186 306 -74 247 N -ATOM 1290 N GLU A 160 1.859 -36.952 18.302 1.00 7.52 N -ANISOU 1290 N GLU A 160 979 1282 595 -103 78 108 N -ATOM 1291 CA GLU A 160 1.435 -35.667 17.748 1.00 7.71 C -ANISOU 1291 CA GLU A 160 978 1317 634 -41 39 65 C -ATOM 1292 C GLU A 160 2.600 -34.727 17.465 1.00 6.85 C -ANISOU 1292 C GLU A 160 912 1128 561 -118 -14 17 C -ATOM 1293 O GLU A 160 2.611 -34.069 16.427 1.00 6.96 O -ANISOU 1293 O GLU A 160 949 1199 495 -99 79 82 O -ATOM 1294 CB GLU A 160 0.374 -34.991 18.621 1.00 8.12 C -ANISOU 1294 CB GLU A 160 999 1303 783 -126 100 -26 C -ATOM 1295 CG GLU A 160 -0.961 -35.707 18.538 1.00 8.91 C -ANISOU 1295 CG GLU A 160 1191 1251 945 -178 189 23 C -ATOM 1296 CD GLU A 160 -2.120 -35.016 19.206 1.00 8.82 C -ANISOU 1296 CD GLU A 160 1167 1158 1027 -121 194 116 C -ATOM 1297 OE1 GLU A 160 -2.082 -33.802 19.464 1.00 8.65 O -ANISOU 1297 OE1 GLU A 160 1061 1277 948 -80 271 39 O -ATOM 1298 OE2 GLU A 160 -3.128 -35.727 19.437 1.00 9.58 O -ANISOU 1298 OE2 GLU A 160 1117 1257 1264 -201 289 100 O -ATOM 1299 N SER A 161 3.580 -34.635 18.355 1.00 7.08 N -ANISOU 1299 N SER A 161 981 1147 562 -96 11 -2 N -ATOM 1300 CA ASER A 161 4.723 -33.761 18.083 0.83 6.71 C -ANISOU 1300 CA ASER A 161 1016 1041 491 -48 -49 -22 C -ATOM 1301 CA BSER A 161 4.750 -33.801 18.109 0.17 6.88 C -ANISOU 1301 CA BSER A 161 1000 1088 528 -19 -19 -21 C -ATOM 1302 C SER A 161 5.417 -34.208 16.798 1.00 6.15 C -ANISOU 1302 C SER A 161 889 983 465 -129 -76 -10 C -ATOM 1303 O SER A 161 5.878 -33.373 16.024 1.00 6.47 O -ANISOU 1303 O SER A 161 933 996 531 -56 -45 -3 O -ATOM 1304 CB ASER A 161 5.714 -33.710 19.249 0.83 6.87 C -ANISOU 1304 CB ASER A 161 971 1108 530 -45 -85 -65 C -ATOM 1305 CB BSER A 161 5.748 -33.937 19.260 0.17 7.38 C -ANISOU 1305 CB BSER A 161 1089 1145 571 141 5 -48 C -ATOM 1306 OG ASER A 161 6.282 -34.971 19.521 0.83 6.71 O -ANISOU 1306 OG ASER A 161 973 1056 518 -43 -177 -51 O -ATOM 1307 OG BSER A 161 5.126 -33.683 20.509 0.17 7.74 O -ANISOU 1307 OG BSER A 161 1182 1163 594 266 4 -64 O -ATOM 1308 N GLY A 162 5.482 -35.517 16.554 1.00 5.84 N -ANISOU 1308 N GLY A 162 824 948 447 -71 -65 89 N -ATOM 1309 CA GLY A 162 6.126 -36.040 15.370 1.00 5.59 C -ANISOU 1309 CA GLY A 162 770 900 453 -32 -39 88 C -ATOM 1310 C GLY A 162 5.339 -35.772 14.105 1.00 5.45 C -ANISOU 1310 C GLY A 162 804 836 430 -56 26 111 C -ATOM 1311 O GLY A 162 5.921 -35.520 13.043 1.00 6.08 O -ANISOU 1311 O GLY A 162 902 895 513 -41 15 67 O -ATOM 1312 N ALA A 163 4.006 -35.818 14.205 1.00 5.48 N -ANISOU 1312 N ALA A 163 814 905 362 -85 8 68 N -ATOM 1313 CA ALA A 163 3.169 -35.445 13.076 1.00 5.64 C -ANISOU 1313 CA ALA A 163 840 960 343 -39 -5 -47 C -ATOM 1314 C ALA A 163 3.281 -33.955 12.773 1.00 5.76 C -ANISOU 1314 C ALA A 163 779 1034 376 -29 -89 -62 C -ATOM 1315 O ALA A 163 3.231 -33.565 11.605 1.00 5.83 O -ANISOU 1315 O ALA A 163 780 1098 336 -107 -144 8 O -ATOM 1316 CB ALA A 163 1.728 -35.845 13.331 1.00 6.09 C -ANISOU 1316 CB ALA A 163 929 939 446 -58 38 -17 C -ATOM 1317 N ILE A 164 3.451 -33.115 13.794 1.00 5.57 N -ANISOU 1317 N ILE A 164 764 951 402 -65 49 69 N -ATOM 1318 CA ILE A 164 3.724 -31.700 13.540 1.00 5.73 C -ANISOU 1318 CA ILE A 164 844 895 440 -57 -2 -28 C -ATOM 1319 C ILE A 164 5.081 -31.532 12.839 1.00 5.66 C -ANISOU 1319 C ILE A 164 823 892 435 -79 -189 20 C -ATOM 1320 O ILE A 164 5.209 -30.790 11.871 1.00 6.35 O -ANISOU 1320 O ILE A 164 963 1015 434 -42 -91 121 O -ATOM 1321 CB ILE A 164 3.678 -30.856 14.826 1.00 6.28 C -ANISOU 1321 CB ILE A 164 934 935 517 4 75 -130 C -ATOM 1322 CG1 ILE A 164 2.291 -30.912 15.477 1.00 6.92 C -ANISOU 1322 CG1 ILE A 164 1036 1038 553 52 123 -209 C -ATOM 1323 CG2 ILE A 164 4.068 -29.410 14.508 1.00 6.54 C -ANISOU 1323 CG2 ILE A 164 987 965 534 78 -50 -208 C -ATOM 1324 CD1 ILE A 164 2.277 -30.402 16.908 1.00 7.57 C -ANISOU 1324 CD1 ILE A 164 1095 1188 594 118 174 -109 C -ATOM 1325 N ASN A 165 6.079 -32.260 13.326 1.00 5.48 N -ANISOU 1325 N ASN A 165 724 933 425 -76 -177 6 N -ATOM 1326 CA ASN A 165 7.400 -32.270 12.721 1.00 5.22 C -ANISOU 1326 CA ASN A 165 672 891 422 -110 -114 -80 C -ATOM 1327 C ASN A 165 7.287 -32.576 11.222 1.00 4.90 C -ANISOU 1327 C ASN A 165 645 820 398 -136 -116 40 C -ATOM 1328 O ASN A 165 7.785 -31.836 10.368 1.00 5.52 O -ANISOU 1328 O ASN A 165 781 887 431 -39 -1 -7 O -ATOM 1329 CB ASN A 165 8.266 -33.282 13.485 1.00 5.67 C -ANISOU 1329 CB ASN A 165 761 976 419 -65 -31 33 C -ATOM 1330 CG ASN A 165 9.685 -33.354 12.982 1.00 5.91 C -ANISOU 1330 CG ASN A 165 761 1094 391 -78 -28 3 C -ATOM 1331 OD1 ASN A 165 9.927 -33.357 11.783 1.00 7.36 O -ANISOU 1331 OD1 ASN A 165 883 1483 430 -6 92 34 O -ATOM 1332 ND2 ASN A 165 10.627 -33.457 13.895 1.00 6.32 N -ANISOU 1332 ND2 ASN A 165 790 1167 444 -60 -16 15 N -ATOM 1333 N GLU A 166 6.587 -33.652 10.892 1.00 5.14 N -ANISOU 1333 N GLU A 166 717 892 345 -162 -57 69 N -ATOM 1334 CA GLU A 166 6.345 -34.028 9.510 1.00 5.19 C -ANISOU 1334 CA GLU A 166 610 1012 351 -133 -88 -10 C -ATOM 1335 C GLU A 166 5.605 -32.953 8.724 1.00 5.15 C -ANISOU 1335 C GLU A 166 529 1066 362 -94 -112 -77 C -ATOM 1336 O GLU A 166 6.019 -32.635 7.601 1.00 5.53 O -ANISOU 1336 O GLU A 166 670 1052 378 -55 -106 12 O -ATOM 1337 CB GLU A 166 5.586 -35.360 9.452 1.00 5.97 C -ANISOU 1337 CB GLU A 166 678 1105 484 -122 -92 -24 C -ATOM 1338 CG GLU A 166 6.499 -36.557 9.432 1.00 6.14 C -ANISOU 1338 CG GLU A 166 785 1039 510 -69 -77 20 C -ATOM 1339 CD GLU A 166 7.455 -36.473 8.276 1.00 5.93 C -ANISOU 1339 CD GLU A 166 773 936 543 -48 -154 -123 C -ATOM 1340 OE1 GLU A 166 6.996 -36.295 7.132 1.00 6.18 O -ANISOU 1340 OE1 GLU A 166 728 990 630 -101 -155 -47 O -ATOM 1341 OE2 GLU A 166 8.683 -36.551 8.505 1.00 6.21 O -ANISOU 1341 OE2 GLU A 166 840 975 546 -90 -134 5 O -ATOM 1342 N ALA A 167 4.530 -32.416 9.279 1.00 5.19 N -ANISOU 1342 N ALA A 167 679 902 392 -82 -53 44 N -ATOM 1343 CA ALA A 167 3.766 -31.411 8.556 1.00 5.45 C -ANISOU 1343 CA ALA A 167 724 944 402 24 -81 76 C -ATOM 1344 C ALA A 167 4.604 -30.161 8.299 1.00 5.55 C -ANISOU 1344 C ALA A 167 770 927 412 -12 -117 39 C -ATOM 1345 O ALA A 167 4.522 -29.569 7.242 1.00 6.32 O -ANISOU 1345 O ALA A 167 794 1143 466 -30 -57 119 O -ATOM 1346 CB ALA A 167 2.505 -31.052 9.310 1.00 6.22 C -ANISOU 1346 CB ALA A 167 803 1085 477 143 -31 87 C -ATOM 1347 N ILE A 168 5.421 -29.753 9.262 1.00 5.39 N -ANISOU 1347 N ILE A 168 760 888 400 -55 -78 5 N -ATOM 1348 CA ILE A 168 6.321 -28.608 9.075 1.00 5.46 C -ANISOU 1348 CA ILE A 168 732 950 393 -38 -16 -40 C -ATOM 1349 C ILE A 168 7.234 -28.859 7.864 1.00 4.94 C -ANISOU 1349 C ILE A 168 701 826 350 -105 -108 -2 C -ATOM 1350 O ILE A 168 7.415 -27.976 7.018 1.00 5.45 O -ANISOU 1350 O ILE A 168 783 944 344 -23 -116 63 O -ATOM 1351 CB ILE A 168 7.129 -28.353 10.358 1.00 6.32 C -ANISOU 1351 CB ILE A 168 828 1083 490 -142 79 -13 C -ATOM 1352 CG1 ILE A 168 6.234 -27.771 11.462 1.00 7.36 C -ANISOU 1352 CG1 ILE A 168 999 1194 603 -55 79 -72 C -ATOM 1353 CG2 ILE A 168 8.335 -27.452 10.085 1.00 6.39 C -ANISOU 1353 CG2 ILE A 168 841 1062 525 -137 86 -44 C -ATOM 1354 CD1 ILE A 168 5.798 -26.351 11.243 1.00 8.65 C -ANISOU 1354 CD1 ILE A 168 1035 1560 690 147 -72 -133 C -ATOM 1355 N SER A 169 7.772 -30.072 7.745 1.00 4.83 N -ANISOU 1355 N SER A 169 659 859 316 -43 -191 52 N -ATOM 1356 CA SER A 169 8.595 -30.408 6.589 1.00 5.04 C -ANISOU 1356 CA SER A 169 727 895 295 -9 -134 22 C -ATOM 1357 C SER A 169 7.808 -30.433 5.278 1.00 5.18 C -ANISOU 1357 C SER A 169 713 888 368 -38 -99 62 C -ATOM 1358 O SER A 169 8.323 -30.006 4.245 1.00 5.73 O -ANISOU 1358 O SER A 169 783 932 464 -107 -33 17 O -ATOM 1359 CB SER A 169 9.341 -31.729 6.789 1.00 5.19 C -ANISOU 1359 CB SER A 169 745 880 346 -146 -134 -27 C -ATOM 1360 OG SER A 169 10.505 -31.525 7.571 1.00 5.11 O -ANISOU 1360 OG SER A 169 765 846 332 78 -176 -22 O -ATOM 1361 N ASP A 170 6.549 -30.891 5.298 1.00 5.16 N -ANISOU 1361 N ASP A 170 625 1029 308 -150 -100 39 N -ATOM 1362 CA ASP A 170 5.722 -30.848 4.096 1.00 5.43 C -ANISOU 1362 CA ASP A 170 721 988 357 -58 -83 13 C -ATOM 1363 C ASP A 170 5.323 -29.418 3.720 1.00 5.57 C -ANISOU 1363 C ASP A 170 715 1009 394 -96 -71 84 C -ATOM 1364 O ASP A 170 5.321 -29.054 2.541 1.00 5.71 O -ANISOU 1364 O ASP A 170 768 980 423 -69 -176 101 O -ATOM 1365 CB ASP A 170 4.480 -31.704 4.263 1.00 5.70 C -ANISOU 1365 CB ASP A 170 748 983 435 -152 -92 -87 C -ATOM 1366 CG ASP A 170 4.756 -33.199 4.187 1.00 5.98 C -ANISOU 1366 CG ASP A 170 714 1055 503 -124 -61 -37 C -ATOM 1367 OD1 ASP A 170 5.848 -33.615 3.733 1.00 6.08 O -ANISOU 1367 OD1 ASP A 170 674 1104 533 -58 -71 -122 O -ATOM 1368 OD2 ASP A 170 3.828 -33.983 4.569 1.00 6.11 O -ANISOU 1368 OD2 ASP A 170 760 966 595 -75 -69 -12 O -ATOM 1369 N ILE A 171 4.991 -28.610 4.721 1.00 5.89 N -ANISOU 1369 N ILE A 171 821 986 430 -33 -90 85 N -ATOM 1370 CA ILE A 171 4.595 -27.218 4.514 1.00 5.90 C -ANISOU 1370 CA ILE A 171 810 1009 422 -69 -35 5 C -ATOM 1371 C ILE A 171 5.749 -26.447 3.889 1.00 5.84 C -ANISOU 1371 C ILE A 171 821 1003 397 49 -132 7 C -ATOM 1372 O ILE A 171 5.576 -25.813 2.850 1.00 6.02 O -ANISOU 1372 O ILE A 171 913 1007 366 103 -70 104 O -ATOM 1373 CB ILE A 171 4.149 -26.578 5.835 1.00 6.18 C -ANISOU 1373 CB ILE A 171 835 1111 402 90 -38 8 C -ATOM 1374 CG1 ILE A 171 2.820 -27.189 6.303 1.00 6.89 C -ANISOU 1374 CG1 ILE A 171 801 1327 491 33 30 -21 C -ATOM 1375 CG2 ILE A 171 4.036 -25.057 5.689 1.00 7.19 C -ANISOU 1375 CG2 ILE A 171 1015 1183 534 156 -37 -16 C -ATOM 1376 CD1 ILE A 171 2.525 -26.961 7.746 1.00 8.01 C -ANISOU 1376 CD1 ILE A 171 909 1515 618 121 185 -3 C -ATOM 1377 N PHE A 172 6.915 -26.482 4.519 1.00 5.54 N -ANISOU 1377 N PHE A 172 778 959 368 -12 -121 20 N -ATOM 1378 CA PHE A 172 8.047 -25.742 3.949 1.00 5.20 C -ANISOU 1378 CA PHE A 172 808 816 351 14 -131 -5 C -ATOM 1379 C PHE A 172 8.585 -26.374 2.672 1.00 5.35 C -ANISOU 1379 C PHE A 172 803 893 334 -13 -136 -42 C -ATOM 1380 O PHE A 172 9.056 -25.660 1.797 1.00 6.29 O -ANISOU 1380 O PHE A 172 899 1142 348 -51 -82 46 O -ATOM 1381 CB PHE A 172 9.113 -25.402 5.001 1.00 5.67 C -ANISOU 1381 CB PHE A 172 898 821 436 -24 -191 26 C -ATOM 1382 CG PHE A 172 8.614 -24.395 6.000 1.00 5.66 C -ANISOU 1382 CG PHE A 172 842 818 491 -161 -122 -41 C -ATOM 1383 CD1 PHE A 172 8.409 -23.086 5.606 1.00 6.06 C -ANISOU 1383 CD1 PHE A 172 925 822 557 -188 -95 26 C -ATOM 1384 CD2 PHE A 172 8.263 -24.756 7.287 1.00 6.68 C -ANISOU 1384 CD2 PHE A 172 1147 816 576 144 -13 -34 C -ATOM 1385 CE1 PHE A 172 7.907 -22.145 6.488 1.00 6.87 C -ANISOU 1385 CE1 PHE A 172 1192 818 602 -72 -87 -45 C -ATOM 1386 CE2 PHE A 172 7.759 -23.819 8.168 1.00 8.19 C -ANISOU 1386 CE2 PHE A 172 1474 989 647 274 -26 -53 C -ATOM 1387 CZ PHE A 172 7.570 -22.522 7.765 1.00 7.62 C -ANISOU 1387 CZ PHE A 172 1329 914 652 167 -59 -58 C -ATOM 1388 N GLY A 173 8.485 -27.685 2.537 1.00 5.33 N -ANISOU 1388 N GLY A 173 758 904 365 -105 -51 21 N -ATOM 1389 CA GLY A 173 8.834 -28.306 1.275 1.00 5.96 C -ANISOU 1389 CA GLY A 173 822 1057 385 12 -34 25 C -ATOM 1390 C GLY A 173 8.005 -27.724 0.148 1.00 5.75 C -ANISOU 1390 C GLY A 173 838 998 351 -27 -95 -7 C -ATOM 1391 O GLY A 173 8.517 -27.398 -0.921 1.00 6.38 O -ANISOU 1391 O GLY A 173 1027 996 402 11 -128 12 O -ATOM 1392 N THR A 174 6.705 -27.600 0.391 1.00 5.81 N -ANISOU 1392 N THR A 174 723 1114 371 -18 -190 -26 N -ATOM 1393 CA THR A 174 5.780 -27.028 -0.568 1.00 5.92 C -ANISOU 1393 CA THR A 174 733 1143 373 -8 -158 -117 C -ATOM 1394 C THR A 174 6.034 -25.540 -0.794 1.00 6.17 C -ANISOU 1394 C THR A 174 851 1139 353 -6 -166 -61 C -ATOM 1395 O THR A 174 5.997 -25.076 -1.924 1.00 6.37 O -ANISOU 1395 O THR A 174 950 1079 389 -2 -166 52 O -ATOM 1396 CB THR A 174 4.358 -27.325 -0.110 1.00 6.68 C -ANISOU 1396 CB THR A 174 788 1206 543 -9 -175 -92 C -ATOM 1397 OG1 THR A 174 4.114 -28.730 -0.282 1.00 6.87 O -ANISOU 1397 OG1 THR A 174 774 1162 674 -144 -71 -107 O -ATOM 1398 CG2 THR A 174 3.329 -26.545 -0.904 1.00 7.03 C -ANISOU 1398 CG2 THR A 174 799 1262 609 71 -196 -162 C -ATOM 1399 N LEU A 175 6.296 -24.784 0.264 1.00 6.03 N -ANISOU 1399 N LEU A 175 899 971 422 -63 -119 29 N -ATOM 1400 CA LEU A 175 6.557 -23.366 0.079 1.00 6.60 C -ANISOU 1400 CA LEU A 175 1003 1022 481 91 -121 9 C -ATOM 1401 C LEU A 175 7.850 -23.135 -0.712 1.00 6.27 C -ANISOU 1401 C LEU A 175 960 914 506 50 -210 14 C -ATOM 1402 O LEU A 175 7.922 -22.197 -1.498 1.00 6.85 O -ANISOU 1402 O LEU A 175 1125 882 595 60 -86 74 O -ATOM 1403 CB LEU A 175 6.551 -22.618 1.414 1.00 6.37 C -ANISOU 1403 CB LEU A 175 969 956 496 12 -59 40 C -ATOM 1404 CG LEU A 175 5.187 -22.585 2.120 1.00 6.82 C -ANISOU 1404 CG LEU A 175 972 1051 567 31 11 59 C -ATOM 1405 CD1 LEU A 175 5.256 -21.925 3.468 1.00 7.82 C -ANISOU 1405 CD1 LEU A 175 1067 1224 679 125 149 -65 C -ATOM 1406 CD2 LEU A 175 4.136 -21.899 1.250 1.00 8.74 C -ANISOU 1406 CD2 LEU A 175 1126 1501 696 200 16 -77 C -ATOM 1407 N VAL A 176 8.857 -23.994 -0.528 1.00 6.36 N -ANISOU 1407 N VAL A 176 956 939 521 93 -126 83 N -ATOM 1408 CA VAL A 176 10.073 -23.898 -1.337 1.00 6.29 C -ANISOU 1408 CA VAL A 176 880 967 542 23 -148 54 C -ATOM 1409 C VAL A 176 9.757 -24.257 -2.790 1.00 6.25 C -ANISOU 1409 C VAL A 176 894 983 498 39 -143 172 C -ATOM 1410 O VAL A 176 10.239 -23.591 -3.715 1.00 6.62 O -ANISOU 1410 O VAL A 176 934 1112 470 -13 -36 237 O -ATOM 1411 CB VAL A 176 11.196 -24.767 -0.765 1.00 6.49 C -ANISOU 1411 CB VAL A 176 945 972 549 -67 -78 28 C -ATOM 1412 CG1 VAL A 176 12.365 -24.828 -1.725 1.00 7.30 C -ANISOU 1412 CG1 VAL A 176 1052 1108 615 53 -40 194 C -ATOM 1413 CG2 VAL A 176 11.641 -24.218 0.577 1.00 6.44 C -ANISOU 1413 CG2 VAL A 176 923 1005 517 -89 -90 -20 C -ATOM 1414 N GLU A 177 8.920 -25.270 -3.003 1.00 5.95 N -ANISOU 1414 N GLU A 177 886 997 377 -74 -122 143 N -ATOM 1415 CA GLU A 177 8.507 -25.609 -4.364 1.00 6.61 C -ANISOU 1415 CA GLU A 177 924 1186 402 -23 -236 68 C -ATOM 1416 C GLU A 177 7.811 -24.412 -5.035 1.00 7.11 C -ANISOU 1416 C GLU A 177 1064 1182 456 87 -146 134 C -ATOM 1417 O GLU A 177 8.089 -24.122 -6.188 1.00 7.86 O -ANISOU 1417 O GLU A 177 1186 1338 461 67 -94 152 O -ATOM 1418 CB GLU A 177 7.636 -26.867 -4.371 1.00 6.78 C -ANISOU 1418 CB GLU A 177 952 1229 393 14 -203 91 C -ATOM 1419 CG GLU A 177 7.193 -27.324 -5.750 1.00 7.47 C -ANISOU 1419 CG GLU A 177 994 1377 466 91 -260 -12 C -ATOM 1420 CD GLU A 177 6.464 -28.652 -5.713 1.00 7.01 C -ANISOU 1420 CD GLU A 177 952 1246 467 -55 -278 15 C -ATOM 1421 OE1 GLU A 177 6.983 -29.616 -5.114 1.00 7.07 O -ANISOU 1421 OE1 GLU A 177 956 1246 486 17 -253 46 O -ATOM 1422 OE2 GLU A 177 5.356 -28.764 -6.290 1.00 7.88 O -ANISOU 1422 OE2 GLU A 177 998 1392 606 38 -340 -33 O -ATOM 1423 N PHE A 178 6.940 -23.716 -4.315 1.00 7.50 N -ANISOU 1423 N PHE A 178 1126 1173 549 163 -61 171 N -ATOM 1424 CA PHE A 178 6.324 -22.520 -4.877 1.00 7.92 C -ANISOU 1424 CA PHE A 178 1150 1277 581 121 -110 186 C -ATOM 1425 C PHE A 178 7.355 -21.412 -5.095 1.00 8.39 C -ANISOU 1425 C PHE A 178 1230 1348 609 55 -63 303 C -ATOM 1426 O PHE A 178 7.281 -20.688 -6.063 1.00 9.30 O -ANISOU 1426 O PHE A 178 1485 1380 668 95 -135 389 O -ATOM 1427 CB PHE A 178 5.162 -22.024 -4.007 1.00 8.76 C -ANISOU 1427 CB PHE A 178 1256 1396 678 183 -92 124 C -ATOM 1428 CG PHE A 178 3.842 -22.673 -4.330 1.00 8.70 C -ANISOU 1428 CG PHE A 178 1214 1379 712 273 -142 34 C -ATOM 1429 CD1 PHE A 178 3.042 -22.157 -5.329 1.00 9.26 C -ANISOU 1429 CD1 PHE A 178 1312 1512 695 372 -122 129 C -ATOM 1430 CD2 PHE A 178 3.404 -23.791 -3.638 1.00 8.88 C -ANISOU 1430 CD2 PHE A 178 1214 1377 781 168 -77 98 C -ATOM 1431 CE1 PHE A 178 1.824 -22.748 -5.644 1.00 9.97 C -ANISOU 1431 CE1 PHE A 178 1368 1621 797 361 -166 121 C -ATOM 1432 CE2 PHE A 178 2.183 -24.381 -3.949 1.00 9.07 C -ANISOU 1432 CE2 PHE A 178 1304 1371 771 221 -111 93 C -ATOM 1433 CZ PHE A 178 1.389 -23.853 -4.953 1.00 9.52 C -ANISOU 1433 CZ PHE A 178 1316 1479 823 357 -158 77 C -ATOM 1434 N TYR A 179 8.319 -21.275 -4.191 1.00 8.54 N -ANISOU 1434 N TYR A 179 1327 1235 683 -28 -153 185 N -ATOM 1435 CA TYR A 179 9.370 -20.266 -4.321 1.00 9.01 C -ANISOU 1435 CA TYR A 179 1428 1237 758 -73 -219 172 C -ATOM 1436 C TYR A 179 10.158 -20.452 -5.615 1.00 9.51 C -ANISOU 1436 C TYR A 179 1549 1277 786 -66 -102 258 C -ATOM 1437 O TYR A 179 10.425 -19.486 -6.324 1.00 10.21 O -ANISOU 1437 O TYR A 179 1735 1338 806 -27 -22 416 O -ATOM 1438 CB TYR A 179 10.278 -20.343 -3.098 1.00 9.42 C -ANISOU 1438 CB TYR A 179 1528 1191 861 -154 -293 197 C -ATOM 1439 CG TYR A 179 11.462 -19.410 -3.084 1.00 10.74 C -ANISOU 1439 CG TYR A 179 1605 1421 1053 -295 -214 339 C -ATOM 1440 CD1 TYR A 179 11.331 -18.063 -2.785 1.00 12.35 C -ANISOU 1440 CD1 TYR A 179 1929 1583 1182 -396 -163 367 C -ATOM 1441 CD2 TYR A 179 12.724 -19.906 -3.344 1.00 12.45 C -ANISOU 1441 CD2 TYR A 179 1704 1821 1208 -424 -229 479 C -ATOM 1442 CE1 TYR A 179 12.452 -17.251 -2.753 1.00 13.15 C -ANISOU 1442 CE1 TYR A 179 2081 1660 1256 -652 -197 371 C -ATOM 1443 CE2 TYR A 179 13.810 -19.122 -3.324 1.00 14.61 C -ANISOU 1443 CE2 TYR A 179 1915 2288 1349 -559 -269 444 C -ATOM 1444 CZ TYR A 179 13.694 -17.805 -3.034 1.00 14.30 C -ANISOU 1444 CZ TYR A 179 2036 2012 1385 -944 -368 320 C -ATOM 1445 OH TYR A 179 14.847 -17.044 -3.055 1.00 17.39 O -ANISOU 1445 OH TYR A 179 2398 2572 1637 -912 -373 388 O -ATOM 1446 N ALA A 180 10.498 -21.693 -5.949 1.00 9.64 N -ANISOU 1446 N ALA A 180 1398 1500 766 -123 9 189 N -ATOM 1447 CA ALA A 180 11.226 -21.981 -7.181 1.00 10.04 C -ANISOU 1447 CA ALA A 180 1403 1732 681 -140 3 196 C -ATOM 1448 C ALA A 180 10.308 -21.827 -8.395 1.00 11.61 C -ANISOU 1448 C ALA A 180 1651 2040 721 -156 -76 224 C -ATOM 1449 O ALA A 180 10.761 -21.558 -9.507 1.00 13.41 O -ANISOU 1449 O ALA A 180 1918 2404 771 -170 50 210 O -ATOM 1450 CB ALA A 180 11.800 -23.390 -7.126 1.00 11.02 C -ANISOU 1450 CB ALA A 180 1407 2098 682 204 -88 46 C -ATOM 1451 N ASN A 181 9.017 -22.048 -8.179 1.00 11.54 N -ANISOU 1451 N ASN A 181 1602 2000 784 -129 -360 256 N -ATOM 1452 CA ASN A 181 7.968 -21.784 -9.174 1.00 13.58 C -ANISOU 1452 CA ASN A 181 1924 2194 1043 50 -477 372 C -ATOM 1453 C ASN A 181 8.030 -22.600 -10.460 1.00 14.88 C -ANISOU 1453 C ASN A 181 2081 2522 1050 90 -467 288 C -ATOM 1454 O ASN A 181 7.700 -22.104 -11.539 1.00 17.77 O -ANISOU 1454 O ASN A 181 2602 3000 1150 365 -475 299 O -ATOM 1455 CB ASN A 181 7.887 -20.293 -9.493 1.00 15.96 C -ANISOU 1455 CB ASN A 181 2253 2369 1441 189 -472 450 C -ATOM 1456 CG ASN A 181 6.553 -19.909 -10.110 1.00 18.25 C -ANISOU 1456 CG ASN A 181 2517 2601 1814 274 -438 581 C -ATOM 1457 OD1 ASN A 181 5.513 -20.535 -9.845 1.00 18.64 O -ANISOU 1457 OD1 ASN A 181 2444 2657 1981 227 -430 506 O -ATOM 1458 ND2 ASN A 181 6.574 -18.885 -10.939 1.00 20.27 N -ANISOU 1458 ND2 ASN A 181 2823 2912 1969 581 -529 650 N -ATOM 1459 N LYS A 182 8.411 -23.862 -10.318 1.00 14.50 N -ANISOU 1459 N LYS A 182 1968 2491 1049 -2 -319 17 N -ATOM 1460 CA ALYS A 182 8.332 -24.832 -11.406 0.55 15.36 C -ANISOU 1460 CA ALYS A 182 2089 2655 1093 181 -227 -48 C -ATOM 1461 CA BLYS A 182 8.329 -24.833 -11.407 0.45 15.47 C -ANISOU 1461 CA BLYS A 182 2107 2662 1107 209 -234 -42 C -ATOM 1462 C LYS A 182 7.318 -25.929 -11.052 1.00 13.92 C -ANISOU 1462 C LYS A 182 1851 2426 1013 66 -191 -48 C -ATOM 1463 O LYS A 182 7.524 -26.724 -10.116 1.00 13.43 O -ANISOU 1463 O LYS A 182 1558 2448 1096 50 -185 -111 O -ATOM 1464 CB ALYS A 182 9.705 -25.445 -11.668 0.55 18.03 C -ANISOU 1464 CB ALYS A 182 2491 3111 1247 506 -172 -85 C -ATOM 1465 CB BLYS A 182 9.701 -25.447 -11.681 0.45 18.26 C -ANISOU 1465 CB BLYS A 182 2534 3122 1281 585 -193 -75 C -ATOM 1466 CG ALYS A 182 10.762 -24.449 -12.126 0.55 20.70 C -ANISOU 1466 CG ALYS A 182 2873 3591 1402 916 -135 -83 C -ATOM 1467 CG BLYS A 182 9.673 -26.690 -12.562 0.45 21.02 C -ANISOU 1467 CG BLYS A 182 2933 3602 1450 1024 -169 -82 C -ATOM 1468 CD ALYS A 182 12.095 -25.153 -12.334 0.55 23.21 C -ANISOU 1468 CD ALYS A 182 3245 4029 1544 1319 -100 -76 C -ATOM 1469 CD BLYS A 182 9.225 -26.391 -13.974 0.45 23.39 C -ANISOU 1469 CD BLYS A 182 3268 4015 1602 1396 -158 -78 C -ATOM 1470 CE ALYS A 182 13.079 -24.312 -13.128 0.55 25.27 C -ANISOU 1470 CE ALYS A 182 3585 4364 1653 1631 -121 -86 C -ATOM 1471 CE BLYS A 182 10.087 -27.131 -14.982 0.45 25.03 C -ANISOU 1471 CE BLYS A 182 3484 4330 1695 1690 -140 -75 C -ATOM 1472 NZ ALYS A 182 13.531 -23.115 -12.379 0.55 26.53 N -ANISOU 1472 NZ ALYS A 182 3791 4572 1719 1801 -129 -108 N -ATOM 1473 NZ BLYS A 182 10.405 -28.526 -14.565 0.45 26.04 N -ANISOU 1473 NZ BLYS A 182 3627 4510 1758 1848 -94 -83 N -ATOM 1474 N ASN A 183 6.231 -25.968 -11.799 1.00 13.15 N -ANISOU 1474 N ASN A 183 1804 2329 862 56 -74 -15 N -ATOM 1475 CA ASN A 183 5.131 -26.889 -11.562 1.00 12.62 C -ANISOU 1475 CA ASN A 183 1751 2168 878 56 -155 38 C -ATOM 1476 C ASN A 183 4.741 -27.003 -10.084 1.00 10.76 C -ANISOU 1476 C ASN A 183 1520 1811 756 67 -292 57 C -ATOM 1477 O ASN A 183 4.652 -28.114 -9.564 1.00 10.18 O -ANISOU 1477 O ASN A 183 1358 1698 813 116 -375 7 O -ATOM 1478 CB ASN A 183 5.494 -28.277 -12.080 1.00 15.04 C -ANISOU 1478 CB ASN A 183 2168 2518 1029 253 -186 -118 C -ATOM 1479 CG ASN A 183 5.725 -28.301 -13.563 1.00 18.18 C -ANISOU 1479 CG ASN A 183 2687 3004 1218 637 -179 -94 C -ATOM 1480 OD1 ASN A 183 4.994 -27.680 -14.323 1.00 19.25 O -ANISOU 1480 OD1 ASN A 183 2917 3201 1198 743 -248 -68 O -ATOM 1481 ND2 ASN A 183 6.745 -29.025 -13.986 1.00 19.75 N -ANISOU 1481 ND2 ASN A 183 2910 3265 1330 788 -66 -29 N -ATOM 1482 N PRO A 184 4.534 -25.871 -9.385 1.00 9.93 N -ANISOU 1482 N PRO A 184 1341 1735 696 175 -231 208 N -ATOM 1483 CA PRO A 184 4.243 -25.992 -7.952 1.00 9.46 C -ANISOU 1483 CA PRO A 184 1208 1685 702 183 -141 224 C -ATOM 1484 C PRO A 184 2.833 -26.499 -7.692 1.00 9.50 C -ANISOU 1484 C PRO A 184 1126 1778 705 266 -253 155 C -ATOM 1485 O PRO A 184 1.902 -26.268 -8.474 1.00 10.52 O -ANISOU 1485 O PRO A 184 1149 2044 805 184 -330 263 O -ATOM 1486 CB PRO A 184 4.389 -24.557 -7.447 1.00 9.75 C -ANISOU 1486 CB PRO A 184 1290 1632 784 106 -121 247 C -ATOM 1487 CG PRO A 184 3.959 -23.739 -8.622 1.00 10.77 C -ANISOU 1487 CG PRO A 184 1479 1769 845 239 -83 244 C -ATOM 1488 CD PRO A 184 4.500 -24.471 -9.831 1.00 10.99 C -ANISOU 1488 CD PRO A 184 1524 1854 798 348 -122 200 C -ATOM 1489 N ASP A 185 2.679 -27.193 -6.580 1.00 8.46 N -ANISOU 1489 N ASP A 185 1035 1537 641 158 -314 61 N -ATOM 1490 CA ASP A 185 1.414 -27.767 -6.169 1.00 8.34 C -ANISOU 1490 CA ASP A 185 981 1577 610 162 -288 -59 C -ATOM 1491 C ASP A 185 1.453 -27.997 -4.664 1.00 7.71 C -ANISOU 1491 C ASP A 185 892 1461 576 162 -302 -57 C -ATOM 1492 O ASP A 185 2.460 -27.719 -4.004 1.00 7.58 O -ANISOU 1492 O ASP A 185 968 1394 519 112 -284 -77 O -ATOM 1493 CB ASP A 185 1.180 -29.075 -6.926 1.00 8.14 C -ANISOU 1493 CB ASP A 185 996 1506 590 134 -240 -45 C -ATOM 1494 CG ASP A 185 2.362 -30.000 -6.828 1.00 7.99 C -ANISOU 1494 CG ASP A 185 996 1445 595 41 -176 -70 C -ATOM 1495 OD1 ASP A 185 2.769 -30.283 -5.684 1.00 7.35 O -ANISOU 1495 OD1 ASP A 185 848 1373 573 -16 -177 -41 O -ATOM 1496 OD2 ASP A 185 2.933 -30.360 -7.885 1.00 9.26 O -ANISOU 1496 OD2 ASP A 185 1270 1618 629 182 -300 -154 O -ATOM 1497 N TRP A 186 0.336 -28.465 -4.123 1.00 8.11 N -ANISOU 1497 N TRP A 186 976 1503 604 79 -175 -10 N -ATOM 1498 CA TRP A 186 0.206 -28.815 -2.721 1.00 8.03 C -ANISOU 1498 CA TRP A 186 897 1504 650 -43 -133 -69 C -ATOM 1499 C TRP A 186 0.259 -30.334 -2.519 1.00 8.20 C -ANISOU 1499 C TRP A 186 947 1541 628 -58 -108 -48 C -ATOM 1500 O TRP A 186 -0.292 -30.861 -1.560 1.00 9.35 O -ANISOU 1500 O TRP A 186 1324 1553 675 14 19 -10 O -ATOM 1501 CB TRP A 186 -1.093 -28.220 -2.162 1.00 8.63 C -ANISOU 1501 CB TRP A 186 1064 1439 776 6 -43 -94 C -ATOM 1502 CG TRP A 186 -1.076 -26.732 -2.129 1.00 9.01 C -ANISOU 1502 CG TRP A 186 1133 1409 884 115 -66 -212 C -ATOM 1503 CD1 TRP A 186 -1.433 -25.875 -3.143 1.00 9.67 C -ANISOU 1503 CD1 TRP A 186 1300 1451 925 238 -37 -271 C -ATOM 1504 CD2 TRP A 186 -0.679 -25.913 -1.032 1.00 9.45 C -ANISOU 1504 CD2 TRP A 186 1018 1611 962 -31 -29 -261 C -ATOM 1505 NE1 TRP A 186 -1.259 -24.571 -2.731 1.00 10.26 N -ANISOU 1505 NE1 TRP A 186 1386 1510 1001 264 -40 -242 N -ATOM 1506 CE2 TRP A 186 -0.803 -24.568 -1.441 1.00 9.92 C -ANISOU 1506 CE2 TRP A 186 1136 1623 1010 88 -69 -276 C -ATOM 1507 CE3 TRP A 186 -0.235 -26.184 0.262 1.00 9.77 C -ANISOU 1507 CE3 TRP A 186 855 1873 984 55 -78 -337 C -ATOM 1508 CZ2 TRP A 186 -0.511 -23.496 -0.594 1.00 11.07 C -ANISOU 1508 CZ2 TRP A 186 1248 1852 1105 192 -70 -277 C -ATOM 1509 CZ3 TRP A 186 0.058 -25.122 1.095 1.00 10.42 C -ANISOU 1509 CZ3 TRP A 186 966 1966 1026 159 -108 -383 C -ATOM 1510 CH2 TRP A 186 -0.071 -23.794 0.660 1.00 11.12 C -ANISOU 1510 CH2 TRP A 186 1194 1912 1118 134 -98 -368 C -ATOM 1511 N GLU A 187 0.939 -31.017 -3.430 1.00 7.78 N -ANISOU 1511 N GLU A 187 883 1512 562 106 -210 -87 N -ATOM 1512 CA GLU A 187 1.200 -32.455 -3.328 1.00 8.04 C -ANISOU 1512 CA GLU A 187 931 1443 681 -45 -285 -112 C -ATOM 1513 C GLU A 187 2.639 -32.660 -2.893 1.00 7.52 C -ANISOU 1513 C GLU A 187 938 1283 635 -46 -309 -21 C -ATOM 1514 O GLU A 187 3.473 -31.787 -3.108 1.00 7.10 O -ANISOU 1514 O GLU A 187 880 1224 594 -56 -273 -1 O -ATOM 1515 CB GLU A 187 0.980 -33.140 -4.687 1.00 9.48 C -ANISOU 1515 CB GLU A 187 1055 1685 861 -163 -425 -241 C -ATOM 1516 CG GLU A 187 -0.380 -32.898 -5.294 1.00 11.72 C -ANISOU 1516 CG GLU A 187 1334 2002 1117 -210 -405 -299 C -ATOM 1517 CD GLU A 187 -1.460 -33.586 -4.493 1.00 14.04 C -ANISOU 1517 CD GLU A 187 1697 2246 1392 -77 -357 -205 C -ATOM 1518 OE1 GLU A 187 -1.534 -34.844 -4.489 1.00 16.39 O -ANISOU 1518 OE1 GLU A 187 2103 2396 1729 32 -138 -28 O -ATOM 1519 OE2 GLU A 187 -2.206 -32.891 -3.818 1.00 14.71 O -ANISOU 1519 OE2 GLU A 187 1639 2575 1374 -17 -379 -168 O -ATOM 1520 N ILE A 188 2.936 -33.819 -2.309 1.00 6.68 N -ANISOU 1520 N ILE A 188 881 1099 558 -190 -298 -18 N -ATOM 1521 CA ILE A 188 4.286 -34.108 -1.832 1.00 6.79 C -ANISOU 1521 CA ILE A 188 856 1169 554 -144 -268 -44 C -ATOM 1522 C ILE A 188 4.907 -35.252 -2.623 1.00 7.20 C -ANISOU 1522 C ILE A 188 964 1167 605 -108 -264 -113 C -ATOM 1523 O ILE A 188 4.381 -36.370 -2.660 1.00 7.67 O -ANISOU 1523 O ILE A 188 995 1151 770 -207 -254 -7 O -ATOM 1524 CB ILE A 188 4.298 -34.504 -0.345 1.00 7.37 C -ANISOU 1524 CB ILE A 188 928 1298 573 -135 -206 64 C -ATOM 1525 CG1 ILE A 188 3.638 -33.419 0.514 1.00 8.23 C -ANISOU 1525 CG1 ILE A 188 1145 1364 618 -28 -194 58 C -ATOM 1526 CG2 ILE A 188 5.710 -34.817 0.114 1.00 8.07 C -ANISOU 1526 CG2 ILE A 188 967 1518 580 -136 -252 103 C -ATOM 1527 CD1 ILE A 188 4.298 -32.080 0.484 1.00 9.41 C -ANISOU 1527 CD1 ILE A 188 1456 1443 675 -10 -135 2 C -ATOM 1528 N GLY A 189 6.033 -34.970 -3.267 1.00 6.97 N -ANISOU 1528 N GLY A 189 949 1120 578 -112 -178 -63 N -ATOM 1529 CA GLY A 189 6.859 -36.000 -3.886 1.00 7.57 C -ANISOU 1529 CA GLY A 189 945 1233 698 -43 -177 -119 C -ATOM 1530 C GLY A 189 6.455 -36.435 -5.284 1.00 7.79 C -ANISOU 1530 C GLY A 189 1038 1214 710 54 -284 -129 C -ATOM 1531 O GLY A 189 7.033 -37.386 -5.831 1.00 8.23 O -ANISOU 1531 O GLY A 189 1184 1206 736 113 -189 -78 O -ATOM 1532 N GLU A 190 5.496 -35.726 -5.872 1.00 7.92 N -ANISOU 1532 N GLU A 190 1080 1238 692 -32 -346 -175 N -ATOM 1533 CA GLU A 190 4.961 -36.093 -7.177 1.00 8.37 C -ANISOU 1533 CA GLU A 190 1169 1331 679 6 -364 -156 C -ATOM 1534 C GLU A 190 6.008 -36.225 -8.282 1.00 8.82 C -ANISOU 1534 C GLU A 190 1282 1367 703 69 -338 -170 C -ATOM 1535 O GLU A 190 5.822 -37.017 -9.204 1.00 9.43 O -ANISOU 1535 O GLU A 190 1477 1340 768 -40 -324 -286 O -ATOM 1536 CB GLU A 190 3.855 -35.106 -7.591 1.00 8.72 C -ANISOU 1536 CB GLU A 190 1165 1436 712 62 -446 -122 C -ATOM 1537 CG GLU A 190 4.360 -33.712 -7.950 1.00 8.69 C -ANISOU 1537 CG GLU A 190 1093 1489 718 122 -450 -146 C -ATOM 1538 CD GLU A 190 4.759 -32.851 -6.755 1.00 7.53 C -ANISOU 1538 CD GLU A 190 961 1270 631 -91 -334 -127 C -ATOM 1539 OE1 GLU A 190 4.380 -33.161 -5.608 1.00 7.46 O -ANISOU 1539 OE1 GLU A 190 975 1269 590 68 -253 -122 O -ATOM 1540 OE2 GLU A 190 5.433 -31.822 -6.984 1.00 7.94 O -ANISOU 1540 OE2 GLU A 190 1045 1367 603 -21 -303 -144 O -ATOM 1541 N ASP A 191 7.109 -35.485 -8.209 1.00 7.97 N -ANISOU 1541 N ASP A 191 1176 1251 600 2 -339 -128 N -ATOM 1542 CA ASP A 191 8.091 -35.514 -9.289 1.00 8.00 C -ANISOU 1542 CA ASP A 191 1173 1257 611 -104 -304 -70 C -ATOM 1543 C ASP A 191 8.939 -36.776 -9.281 1.00 8.57 C -ANISOU 1543 C ASP A 191 1371 1247 640 89 -171 -17 C -ATOM 1544 O ASP A 191 9.556 -37.092 -10.293 1.00 10.98 O -ANISOU 1544 O ASP A 191 1777 1640 753 405 -7 25 O -ATOM 1545 CB ASP A 191 9.020 -34.295 -9.236 1.00 8.73 C -ANISOU 1545 CB ASP A 191 1232 1378 709 -7 -273 -20 C -ATOM 1546 CG ASP A 191 8.336 -33.010 -9.631 1.00 9.85 C -ANISOU 1546 CG ASP A 191 1407 1349 988 -80 -298 -67 C -ATOM 1547 OD1 ASP A 191 7.335 -33.062 -10.354 1.00 11.75 O -ANISOU 1547 OD1 ASP A 191 1696 1682 1086 252 -417 -72 O -ATOM 1548 OD2 ASP A 191 8.832 -31.941 -9.252 1.00 11.24 O -ANISOU 1548 OD2 ASP A 191 1453 1506 1310 16 -271 -165 O -ATOM 1549 N VAL A 192 8.993 -37.487 -8.152 1.00 7.73 N -ANISOU 1549 N VAL A 192 1157 1102 678 74 -250 -65 N -ATOM 1550 CA VAL A 192 9.856 -38.660 -8.044 1.00 7.80 C -ANISOU 1550 CA VAL A 192 1070 1082 811 -22 -185 -82 C -ATOM 1551 C VAL A 192 9.107 -39.927 -7.650 1.00 8.12 C -ANISOU 1551 C VAL A 192 1065 1104 916 -35 -134 -43 C -ATOM 1552 O VAL A 192 9.709 -40.990 -7.580 1.00 8.55 O -ANISOU 1552 O VAL A 192 1214 1053 981 -15 25 -10 O -ATOM 1553 CB VAL A 192 11.012 -38.419 -7.066 1.00 8.20 C -ANISOU 1553 CB VAL A 192 1092 1168 857 -23 -308 -135 C -ATOM 1554 CG1 VAL A 192 11.963 -37.368 -7.640 1.00 9.04 C -ANISOU 1554 CG1 VAL A 192 1194 1302 938 94 -311 -157 C -ATOM 1555 CG2 VAL A 192 10.494 -37.993 -5.684 1.00 8.57 C -ANISOU 1555 CG2 VAL A 192 1109 1294 852 53 -493 -229 C -ATOM 1556 N TYR A 193 7.804 -39.827 -7.408 1.00 8.59 N -ANISOU 1556 N TYR A 193 1098 1142 1025 -88 -296 -171 N -ATOM 1557 CA TYR A 193 6.996 -40.959 -6.970 1.00 8.96 C -ANISOU 1557 CA TYR A 193 1033 1250 1123 7 -318 -230 C -ATOM 1558 C TYR A 193 6.380 -41.677 -8.167 1.00 9.63 C -ANISOU 1558 C TYR A 193 1112 1400 1145 7 -354 -270 C -ATOM 1559 O TYR A 193 5.875 -41.030 -9.080 1.00 10.03 O -ANISOU 1559 O TYR A 193 1220 1415 1178 -24 -464 -274 O -ATOM 1560 CB TYR A 193 5.887 -40.441 -6.067 1.00 9.37 C -ANISOU 1560 CB TYR A 193 1102 1292 1165 -58 -302 -325 C -ATOM 1561 CG TYR A 193 5.072 -41.481 -5.356 1.00 9.61 C -ANISOU 1561 CG TYR A 193 1095 1363 1195 -159 -239 -324 C -ATOM 1562 CD1 TYR A 193 5.639 -42.300 -4.390 1.00 10.01 C -ANISOU 1562 CD1 TYR A 193 1199 1373 1229 -143 -156 -287 C -ATOM 1563 CD2 TYR A 193 3.708 -41.606 -5.606 1.00 10.76 C -ANISOU 1563 CD2 TYR A 193 1171 1631 1284 -83 -198 -262 C -ATOM 1564 CE1 TYR A 193 4.877 -43.220 -3.694 1.00 11.66 C -ANISOU 1564 CE1 TYR A 193 1409 1672 1347 -93 16 -103 C -ATOM 1565 CE2 TYR A 193 2.951 -42.514 -4.932 1.00 11.89 C -ANISOU 1565 CE2 TYR A 193 1304 1782 1429 -130 -115 -222 C -ATOM 1566 CZ TYR A 193 3.536 -43.329 -3.990 1.00 12.54 C -ANISOU 1566 CZ TYR A 193 1491 1780 1495 -258 47 20 C -ATOM 1567 OH TYR A 193 2.751 -44.246 -3.319 1.00 15.44 O -ANISOU 1567 OH TYR A 193 1819 2340 1710 -256 255 178 O -ATOM 1568 N THR A 194 6.447 -43.009 -8.142 1.00 9.49 N -ANISOU 1568 N THR A 194 1151 1327 1126 -49 -420 -301 N -ATOM 1569 CA THR A 194 5.782 -43.902 -9.099 1.00 9.79 C -ANISOU 1569 CA THR A 194 1201 1265 1255 -92 -473 -393 C -ATOM 1570 C THR A 194 5.877 -43.425 -10.540 1.00 10.67 C -ANISOU 1570 C THR A 194 1303 1426 1326 -35 -432 -515 C -ATOM 1571 O THR A 194 4.909 -42.923 -11.117 1.00 11.36 O -ANISOU 1571 O THR A 194 1403 1634 1278 84 -491 -613 O -ATOM 1572 CB THR A 194 4.305 -44.135 -8.721 1.00 10.36 C -ANISOU 1572 CB THR A 194 1250 1364 1322 -107 -439 -314 C -ATOM 1573 OG1 THR A 194 3.634 -42.875 -8.660 1.00 10.45 O -ANISOU 1573 OG1 THR A 194 1217 1435 1319 -26 -430 -396 O -ATOM 1574 CG2 THR A 194 4.200 -44.848 -7.403 1.00 10.31 C -ANISOU 1574 CG2 THR A 194 1269 1268 1382 -83 -400 -196 C -ATOM 1575 N PRO A 195 7.056 -43.600 -11.141 1.00 11.44 N -ANISOU 1575 N PRO A 195 1339 1616 1393 29 -320 -505 N -ATOM 1576 CA PRO A 195 7.198 -43.122 -12.524 1.00 13.45 C -ANISOU 1576 CA PRO A 195 1586 2024 1499 67 -264 -496 C -ATOM 1577 C PRO A 195 6.227 -43.769 -13.523 1.00 15.83 C -ANISOU 1577 C PRO A 195 2049 2369 1595 269 -316 -700 C -ATOM 1578 O PRO A 195 5.931 -43.179 -14.556 1.00 17.78 O -ANISOU 1578 O PRO A 195 2297 2766 1693 478 -348 -677 O -ATOM 1579 CB PRO A 195 8.661 -43.438 -12.848 1.00 13.92 C -ANISOU 1579 CB PRO A 195 1634 2112 1543 168 -215 -482 C -ATOM 1580 CG PRO A 195 9.034 -44.546 -11.890 1.00 13.21 C -ANISOU 1580 CG PRO A 195 1557 1935 1528 121 -282 -579 C -ATOM 1581 CD PRO A 195 8.301 -44.209 -10.632 1.00 11.74 C -ANISOU 1581 CD PRO A 195 1363 1649 1447 15 -305 -510 C -ATOM 1582 N GLY A 196 5.703 -44.940 -13.201 1.00 15.53 N -ANISOU 1582 N GLY A 196 2094 2227 1579 78 -455 -995 N -ATOM 1583 CA GLY A 196 4.742 -45.594 -14.073 1.00 16.19 C -ANISOU 1583 CA GLY A 196 2120 2345 1689 -70 -561 -982 C -ATOM 1584 C GLY A 196 3.299 -45.154 -13.904 1.00 17.03 C -ANISOU 1584 C GLY A 196 2188 2508 1774 64 -634 -1033 C -ATOM 1585 O GLY A 196 2.422 -45.637 -14.623 1.00 18.35 O -ANISOU 1585 O GLY A 196 2352 2759 1859 168 -728 -1080 O -ATOM 1586 N ILE A 197 3.044 -44.246 -12.971 1.00 15.98 N -ANISOU 1586 N ILE A 197 1966 2365 1740 84 -707 -922 N -ATOM 1587 CA ILE A 197 1.693 -43.778 -12.698 1.00 15.98 C -ANISOU 1587 CA ILE A 197 1891 2390 1789 -177 -770 -774 C -ATOM 1588 C ILE A 197 1.679 -42.256 -12.697 1.00 15.18 C -ANISOU 1588 C ILE A 197 1807 2299 1663 -40 -795 -689 C -ATOM 1589 O ILE A 197 2.332 -41.619 -11.872 1.00 13.70 O -ANISOU 1589 O ILE A 197 1700 2016 1490 89 -675 -565 O -ATOM 1590 CB ILE A 197 1.199 -44.255 -11.323 1.00 17.14 C -ANISOU 1590 CB ILE A 197 2038 2478 1998 -205 -712 -720 C -ATOM 1591 CG1 ILE A 197 1.228 -45.783 -11.228 1.00 18.47 C -ANISOU 1591 CG1 ILE A 197 2321 2584 2112 12 -619 -686 C -ATOM 1592 CG2 ILE A 197 -0.207 -43.692 -11.029 1.00 17.19 C -ANISOU 1592 CG2 ILE A 197 1986 2515 2030 -280 -753 -699 C -ATOM 1593 CD1 ILE A 197 0.959 -46.292 -9.842 1.00 19.26 C -ANISOU 1593 CD1 ILE A 197 2474 2653 2191 91 -544 -711 C -ATOM 1594 N SER A 198 0.920 -41.655 -13.601 1.00 17.21 N -ANISOU 1594 N SER A 198 2029 2757 1753 274 -905 -745 N -ATOM 1595 CA ASER A 198 0.819 -40.209 -13.693 0.63 18.35 C -ANISOU 1595 CA ASER A 198 2126 3053 1794 438 -938 -739 C -ATOM 1596 CA BSER A 198 0.852 -40.205 -13.661 0.37 18.21 C -ANISOU 1596 CA BSER A 198 2112 3023 1784 520 -931 -722 C -ATOM 1597 C SER A 198 -0.218 -39.672 -12.723 1.00 17.78 C -ANISOU 1597 C SER A 198 2032 2948 1777 465 -914 -731 C -ATOM 1598 O SER A 198 -1.214 -40.337 -12.453 1.00 18.94 O -ANISOU 1598 O SER A 198 2073 3159 1966 406 -789 -800 O -ATOM 1599 CB ASER A 198 0.391 -39.815 -15.103 0.63 20.46 C -ANISOU 1599 CB ASER A 198 2366 3550 1858 662 -918 -721 C -ATOM 1600 CB BSER A 198 0.570 -39.730 -15.086 0.37 19.80 C -ANISOU 1600 CB BSER A 198 2311 3347 1865 816 -846 -628 C -ATOM 1601 OG ASER A 198 -0.912 -40.308 -15.379 0.63 21.85 O -ANISOU 1601 OG ASER A 198 2528 3856 1919 770 -863 -737 O -ATOM 1602 OG BSER A 198 1.693 -39.939 -15.922 0.37 20.73 O -ANISOU 1602 OG BSER A 198 2423 3522 1932 966 -768 -571 O -ATOM 1603 N GLY A 199 0.013 -38.471 -12.209 1.00 16.39 N -ANISOU 1603 N GLY A 199 1945 2676 1607 645 -866 -587 N -ATOM 1604 CA GLY A 199 -1.012 -37.753 -11.485 1.00 15.78 C -ANISOU 1604 CA GLY A 199 1987 2533 1477 893 -769 -489 C -ATOM 1605 C GLY A 199 -1.154 -38.059 -10.020 1.00 14.40 C -ANISOU 1605 C GLY A 199 1814 2281 1378 725 -754 -485 C -ATOM 1606 O GLY A 199 -2.027 -37.490 -9.369 1.00 16.33 O -ANISOU 1606 O GLY A 199 2120 2640 1442 977 -746 -379 O -ATOM 1607 N ASP A 200 -0.294 -38.933 -9.498 1.00 12.36 N -ANISOU 1607 N ASP A 200 1529 1893 1274 350 -692 -530 N -ATOM 1608 CA ASP A 200 -0.336 -39.290 -8.084 1.00 11.56 C -ANISOU 1608 CA ASP A 200 1403 1776 1215 160 -616 -514 C -ATOM 1609 C ASP A 200 0.821 -38.640 -7.319 1.00 10.82 C -ANISOU 1609 C ASP A 200 1425 1657 1029 114 -517 -391 C -ATOM 1610 O ASP A 200 1.618 -37.872 -7.860 1.00 10.66 O -ANISOU 1610 O ASP A 200 1537 1605 910 111 -467 -311 O -ATOM 1611 CB ASP A 200 -0.374 -40.808 -7.900 1.00 11.77 C -ANISOU 1611 CB ASP A 200 1357 1792 1323 60 -569 -486 C -ATOM 1612 CG ASP A 200 0.897 -41.474 -8.316 1.00 11.10 C -ANISOU 1612 CG ASP A 200 1241 1587 1389 -40 -586 -400 C -ATOM 1613 OD1 ASP A 200 1.695 -40.834 -9.033 1.00 11.03 O -ANISOU 1613 OD1 ASP A 200 1290 1577 1323 35 -498 -394 O -ATOM 1614 OD2 ASP A 200 1.112 -42.639 -7.917 1.00 11.72 O -ANISOU 1614 OD2 ASP A 200 1174 1735 1544 -152 -542 -286 O -ATOM 1615 N SER A 201 0.878 -38.920 -6.029 1.00 10.61 N -ANISOU 1615 N SER A 201 1382 1655 993 -5 -566 -379 N -ATOM 1616 CA ASER A 201 1.926 -38.380 -5.190 0.57 10.14 C -ANISOU 1616 CA ASER A 201 1351 1546 956 90 -417 -378 C -ATOM 1617 CA BSER A 201 1.826 -38.294 -5.120 0.43 10.09 C -ANISOU 1617 CA BSER A 201 1321 1548 965 21 -444 -350 C -ATOM 1618 C SER A 201 1.966 -39.206 -3.922 1.00 9.32 C -ANISOU 1618 C SER A 201 1135 1478 927 -15 -374 -288 C -ATOM 1619 O SER A 201 1.109 -40.070 -3.700 1.00 9.55 O -ANISOU 1619 O SER A 201 1075 1568 985 -114 -376 -250 O -ATOM 1620 CB ASER A 201 1.634 -36.926 -4.865 0.57 11.96 C -ANISOU 1620 CB ASER A 201 1656 1852 1036 563 -278 -279 C -ATOM 1621 CB BSER A 201 1.291 -36.956 -4.612 0.43 11.51 C -ANISOU 1621 CB BSER A 201 1540 1781 1052 264 -352 -255 C -ATOM 1622 OG ASER A 201 0.411 -36.845 -4.184 0.57 12.50 O -ANISOU 1622 OG ASER A 201 1752 1899 1097 590 -267 -217 O -ATOM 1623 OG BSER A 201 0.561 -36.255 -5.593 0.43 12.84 O -ANISOU 1623 OG BSER A 201 1770 1991 1119 409 -315 -189 O -ATOM 1624 N LEU A 202 2.983 -38.971 -3.105 1.00 8.48 N -ANISOU 1624 N LEU A 202 991 1389 844 -83 -218 -252 N -ATOM 1625 CA LEU A 202 3.114 -39.702 -1.862 1.00 7.75 C -ANISOU 1625 CA LEU A 202 865 1280 802 -104 -198 -166 C -ATOM 1626 C LEU A 202 2.069 -39.253 -0.833 1.00 7.37 C -ANISOU 1626 C LEU A 202 768 1183 850 -210 -226 -102 C -ATOM 1627 O LEU A 202 1.470 -40.068 -0.131 1.00 8.44 O -ANISOU 1627 O LEU A 202 935 1220 1050 -96 -162 -57 O -ATOM 1628 CB LEU A 202 4.509 -39.497 -1.313 1.00 7.77 C -ANISOU 1628 CB LEU A 202 890 1330 732 -12 -191 -189 C -ATOM 1629 CG LEU A 202 4.824 -40.143 0.028 1.00 8.38 C -ANISOU 1629 CG LEU A 202 972 1437 774 83 -206 -115 C -ATOM 1630 CD1 LEU A 202 4.812 -41.671 -0.091 1.00 9.43 C -ANISOU 1630 CD1 LEU A 202 1156 1503 924 146 -313 -33 C -ATOM 1631 CD2 LEU A 202 6.192 -39.655 0.520 1.00 8.86 C -ANISOU 1631 CD2 LEU A 202 984 1585 798 101 -209 -118 C -ATOM 1632 N ARG A 203 1.895 -37.939 -0.699 1.00 7.54 N -ANISOU 1632 N ARG A 203 760 1280 824 -148 -246 -141 N -ATOM 1633 CA ARG A 203 0.864 -37.344 0.144 1.00 7.20 C -ANISOU 1633 CA ARG A 203 723 1309 706 -109 -274 -101 C -ATOM 1634 C ARG A 203 0.252 -36.177 -0.611 1.00 7.51 C -ANISOU 1634 C ARG A 203 746 1336 771 -125 -250 -34 C -ATOM 1635 O ARG A 203 0.866 -35.635 -1.529 1.00 7.73 O -ANISOU 1635 O ARG A 203 868 1194 876 36 -145 -115 O -ATOM 1636 CB ARG A 203 1.436 -36.814 1.459 1.00 7.09 C -ANISOU 1636 CB ARG A 203 750 1326 618 -130 -266 -69 C -ATOM 1637 CG ARG A 203 1.905 -37.872 2.407 1.00 6.83 C -ANISOU 1637 CG ARG A 203 714 1299 581 -121 -249 -6 C -ATOM 1638 CD ARG A 203 2.505 -37.283 3.667 1.00 6.63 C -ANISOU 1638 CD ARG A 203 749 1212 559 -126 -106 -5 C -ATOM 1639 NE ARG A 203 3.781 -36.597 3.494 1.00 6.05 N -ANISOU 1639 NE ARG A 203 830 1000 470 -54 -86 51 N -ATOM 1640 CZ ARG A 203 4.949 -37.213 3.514 1.00 6.35 C -ANISOU 1640 CZ ARG A 203 847 1100 465 75 -76 9 C -ATOM 1641 NH1 ARG A 203 5.005 -38.538 3.582 1.00 5.96 N -ANISOU 1641 NH1 ARG A 203 698 1069 500 25 -62 1 N -ATOM 1642 NH2 ARG A 203 6.061 -36.498 3.472 1.00 5.79 N -ANISOU 1642 NH2 ARG A 203 751 1005 445 -16 -54 34 N -ATOM 1643 N SER A 204 -0.938 -35.774 -0.173 1.00 7.85 N -ANISOU 1643 N SER A 204 709 1494 780 -52 -243 22 N -ATOM 1644 CA SER A 204 -1.570 -34.547 -0.640 1.00 7.93 C -ANISOU 1644 CA SER A 204 758 1527 727 85 -233 0 C -ATOM 1645 C SER A 204 -1.871 -33.676 0.570 1.00 7.72 C -ANISOU 1645 C SER A 204 850 1397 685 -26 -129 -68 C -ATOM 1646 O SER A 204 -2.438 -34.152 1.558 1.00 8.19 O -ANISOU 1646 O SER A 204 1069 1310 732 -20 -223 -76 O -ATOM 1647 CB SER A 204 -2.873 -34.851 -1.373 1.00 8.99 C -ANISOU 1647 CB SER A 204 899 1701 814 255 -325 -82 C -ATOM 1648 OG SER A 204 -3.561 -33.658 -1.672 1.00 9.28 O -ANISOU 1648 OG SER A 204 933 1749 842 269 -363 -118 O -ATOM 1649 N MET A 205 -1.509 -32.399 0.505 1.00 7.88 N -ANISOU 1649 N MET A 205 819 1462 711 -44 -180 -100 N -ATOM 1650 CA MET A 205 -1.895 -31.452 1.547 1.00 8.20 C -ANISOU 1650 CA MET A 205 847 1382 888 -38 -230 -210 C -ATOM 1651 C MET A 205 -3.316 -30.919 1.316 1.00 8.84 C -ANISOU 1651 C MET A 205 820 1431 1109 -95 -262 -222 C -ATOM 1652 O MET A 205 -4.050 -30.627 2.260 1.00 9.88 O -ANISOU 1652 O MET A 205 863 1600 1291 -70 -183 -219 O -ATOM 1653 CB MET A 205 -0.937 -30.263 1.606 1.00 8.15 C -ANISOU 1653 CB MET A 205 764 1454 880 -112 -221 -102 C -ATOM 1654 CG MET A 205 0.501 -30.648 1.849 1.00 8.78 C -ANISOU 1654 CG MET A 205 791 1686 858 -212 -160 -14 C -ATOM 1655 SD MET A 205 1.606 -29.227 1.951 1.00 9.41 S -ANISOU 1655 SD MET A 205 924 1904 747 -225 -131 44 S -ATOM 1656 CE MET A 205 1.052 -28.472 3.483 1.00 9.80 C -ANISOU 1656 CE MET A 205 1153 1826 747 -226 -205 -229 C -ATOM 1657 N SER A 206 -3.697 -30.776 0.052 1.00 9.68 N -ANISOU 1657 N SER A 206 822 1575 1280 59 -371 -102 N -ATOM 1658 CA SER A 206 -5.004 -30.241 -0.277 1.00 10.45 C -ANISOU 1658 CA SER A 206 899 1689 1381 114 -416 -99 C -ATOM 1659 C SER A 206 -6.120 -31.238 0.004 1.00 10.10 C -ANISOU 1659 C SER A 206 822 1602 1412 27 -318 -219 C -ATOM 1660 O SER A 206 -7.225 -30.855 0.367 1.00 11.20 O -ANISOU 1660 O SER A 206 956 1725 1574 181 -188 -164 O -ATOM 1661 CB SER A 206 -5.023 -29.798 -1.734 1.00 11.94 C -ANISOU 1661 CB SER A 206 1231 1860 1445 240 -376 138 C -ATOM 1662 OG SER A 206 -4.707 -30.864 -2.594 1.00 13.35 O -ANISOU 1662 OG SER A 206 1473 2134 1464 170 -275 203 O -ATOM 1663 N ASP A 207 -5.817 -32.516 -0.143 1.00 9.79 N -ANISOU 1663 N ASP A 207 810 1561 1347 89 -362 -160 N -ATOM 1664 CA ASP A 207 -6.773 -33.560 0.148 1.00 10.26 C -ANISOU 1664 CA ASP A 207 856 1649 1394 21 -446 -342 C -ATOM 1665 C ASP A 207 -6.035 -34.795 0.650 1.00 9.21 C -ANISOU 1665 C ASP A 207 731 1585 1183 -121 -273 -377 C -ATOM 1666 O ASP A 207 -5.850 -35.763 -0.083 1.00 9.47 O -ANISOU 1666 O ASP A 207 896 1570 1131 7 -264 -350 O -ATOM 1667 CB ASP A 207 -7.566 -33.883 -1.117 1.00 13.28 C -ANISOU 1667 CB ASP A 207 1206 2023 1817 219 -641 -510 C -ATOM 1668 CG ASP A 207 -8.624 -34.924 -0.896 1.00 16.24 C -ANISOU 1668 CG ASP A 207 1412 2453 2306 208 -635 -686 C -ATOM 1669 OD1 ASP A 207 -8.925 -35.238 0.273 1.00 15.69 O -ANISOU 1669 OD1 ASP A 207 1255 2151 2556 -157 -250 -410 O -ATOM 1670 OD2 ASP A 207 -9.162 -35.412 -1.916 1.00 19.09 O -ANISOU 1670 OD2 ASP A 207 1686 2971 2597 162 -745 -879 O -ATOM 1671 N PRO A 208 -5.630 -34.776 1.927 1.00 9.01 N -ANISOU 1671 N PRO A 208 729 1592 1103 -18 -280 -384 N -ATOM 1672 CA PRO A 208 -4.824 -35.892 2.443 1.00 8.53 C -ANISOU 1672 CA PRO A 208 807 1384 1051 -110 -320 -340 C -ATOM 1673 C PRO A 208 -5.516 -37.243 2.281 1.00 8.76 C -ANISOU 1673 C PRO A 208 859 1439 1029 -133 -225 -351 C -ATOM 1674 O PRO A 208 -4.837 -38.269 2.111 1.00 9.15 O -ANISOU 1674 O PRO A 208 1040 1409 1026 26 -244 -261 O -ATOM 1675 CB PRO A 208 -4.638 -35.531 3.922 1.00 9.06 C -ANISOU 1675 CB PRO A 208 967 1381 1096 36 -233 -403 C -ATOM 1676 CG PRO A 208 -4.712 -34.041 3.957 1.00 9.32 C -ANISOU 1676 CG PRO A 208 855 1573 1113 226 -194 -378 C -ATOM 1677 CD PRO A 208 -5.750 -33.683 2.912 1.00 9.32 C -ANISOU 1677 CD PRO A 208 843 1548 1152 158 -279 -348 C -ATOM 1678 N ALA A 209 -6.846 -37.249 2.315 1.00 9.11 N -ANISOU 1678 N ALA A 209 821 1514 1127 -183 -81 -341 N -ATOM 1679 CA ALA A 209 -7.587 -38.493 2.256 1.00 10.71 C -ANISOU 1679 CA ALA A 209 1066 1669 1333 -258 -88 -392 C -ATOM 1680 C ALA A 209 -7.438 -39.213 0.908 1.00 12.28 C -ANISOU 1680 C ALA A 209 1417 1761 1487 -351 -204 -696 C -ATOM 1681 O ALA A 209 -7.697 -40.402 0.817 1.00 13.36 O -ANISOU 1681 O ALA A 209 1737 1797 1544 -386 -140 -598 O -ATOM 1682 CB ALA A 209 -9.072 -38.238 2.575 1.00 11.39 C -ANISOU 1682 CB ALA A 209 1040 1877 1412 -224 -135 -244 C -ATOM 1683 N LYS A 210 -7.015 -38.499 -0.127 1.00 13.74 N -ANISOU 1683 N LYS A 210 1651 1948 1620 -416 -255 -865 N -ATOM 1684 CA ALYS A 210 -6.810 -39.100 -1.450 0.54 16.17 C -ANISOU 1684 CA ALYS A 210 2081 2300 1763 -240 -273 -1001 C -ATOM 1685 CA BLYS A 210 -6.800 -39.091 -1.447 0.46 16.24 C -ANISOU 1685 CA BLYS A 210 2055 2333 1783 -196 -261 -970 C -ATOM 1686 C LYS A 210 -5.819 -40.260 -1.354 1.00 16.29 C -ANISOU 1686 C LYS A 210 2065 2304 1820 -163 -218 -1033 C -ATOM 1687 O LYS A 210 -5.928 -41.231 -2.096 1.00 17.59 O -ANISOU 1687 O LYS A 210 2236 2575 1872 12 -234 -1077 O -ATOM 1688 CB ALYS A 210 -6.281 -38.037 -2.421 0.54 19.01 C -ANISOU 1688 CB ALYS A 210 2634 2733 1858 91 -256 -920 C -ATOM 1689 CB BLYS A 210 -6.251 -38.020 -2.395 0.46 19.07 C -ANISOU 1689 CB BLYS A 210 2535 2794 1916 166 -232 -854 C -ATOM 1690 CG ALYS A 210 -6.426 -38.318 -3.918 0.54 21.35 C -ANISOU 1690 CG ALYS A 210 3012 3118 1980 372 -302 -841 C -ATOM 1691 CG BLYS A 210 -6.099 -38.428 -3.850 0.46 21.27 C -ANISOU 1691 CG BLYS A 210 2846 3171 2065 447 -258 -757 C -ATOM 1692 CD ALYS A 210 -5.872 -37.127 -4.708 0.54 22.89 C -ANISOU 1692 CD ALYS A 210 3271 3404 2022 584 -354 -785 C -ATOM 1693 CD BLYS A 210 -5.118 -37.503 -4.568 0.46 22.73 C -ANISOU 1693 CD BLYS A 210 3025 3457 2154 688 -286 -684 C -ATOM 1694 CE ALYS A 210 -6.165 -37.187 -6.192 0.54 23.94 C -ANISOU 1694 CE ALYS A 210 3430 3617 2049 715 -396 -728 C -ATOM 1695 CE BLYS A 210 -5.743 -36.146 -4.896 0.46 23.50 C -ANISOU 1695 CE BLYS A 210 3115 3627 2189 815 -394 -682 C -ATOM 1696 NZ ALYS A 210 -5.476 -36.073 -6.909 0.54 24.12 N -ANISOU 1696 NZ ALYS A 210 3467 3671 2027 756 -458 -718 N -ATOM 1697 NZ BLYS A 210 -4.789 -35.004 -4.714 0.46 23.26 N -ANISOU 1697 NZ BLYS A 210 3026 3635 2178 654 -489 -725 N -ATOM 1698 N TYR A 211 -4.850 -40.152 -0.441 1.00 16.58 N -ANISOU 1698 N TYR A 211 1989 2426 1884 32 -83 -1037 N -ATOM 1699 CA TYR A 211 -3.807 -41.179 -0.265 1.00 17.61 C -ANISOU 1699 CA TYR A 211 2090 2599 2002 275 120 -1002 C -ATOM 1700 C TYR A 211 -3.920 -41.831 1.105 1.00 18.98 C -ANISOU 1700 C TYR A 211 2510 2592 2110 764 -32 -893 C -ATOM 1701 O TYR A 211 -2.943 -42.343 1.638 1.00 20.60 O -ANISOU 1701 O TYR A 211 2754 2793 2281 1079 -41 -837 O -ATOM 1702 CB TYR A 211 -2.418 -40.577 -0.501 1.00 17.46 C -ANISOU 1702 CB TYR A 211 1720 2853 2061 38 308 -1077 C -ATOM 1703 CG TYR A 211 -2.335 -40.014 -1.874 1.00 17.74 C -ANISOU 1703 CG TYR A 211 1602 3007 2131 -240 463 -1213 C -ATOM 1704 CD1 TYR A 211 -2.513 -40.842 -2.973 1.00 18.46 C -ANISOU 1704 CD1 TYR A 211 1810 3011 2194 -225 512 -1273 C -ATOM 1705 CD2 TYR A 211 -2.138 -38.666 -2.092 1.00 18.19 C -ANISOU 1705 CD2 TYR A 211 1698 3038 2175 -594 535 -1183 C -ATOM 1706 CE1 TYR A 211 -2.480 -40.352 -4.227 1.00 19.43 C -ANISOU 1706 CE1 TYR A 211 2034 3102 2246 -388 650 -1132 C -ATOM 1707 CE2 TYR A 211 -2.110 -38.158 -3.364 1.00 20.25 C -ANISOU 1707 CE2 TYR A 211 2175 3221 2296 -339 638 -1080 C -ATOM 1708 CZ TYR A 211 -2.275 -39.017 -4.433 1.00 21.44 C -ANISOU 1708 CZ TYR A 211 2498 3333 2317 -233 651 -1023 C -ATOM 1709 OH TYR A 211 -2.249 -38.542 -5.722 1.00 24.06 O -ANISOU 1709 OH TYR A 211 3021 3648 2472 -111 732 -781 O -ATOM 1710 N GLY A 212 -5.132 -41.770 1.667 1.00 17.58 N -ANISOU 1710 N GLY A 212 2522 2184 1975 324 -93 -853 N -ATOM 1711 CA GLY A 212 -5.503 -42.485 2.878 1.00 16.42 C -ANISOU 1711 CA GLY A 212 2595 1779 1866 111 -102 -787 C -ATOM 1712 C GLY A 212 -5.154 -41.838 4.211 1.00 14.97 C -ANISOU 1712 C GLY A 212 2324 1654 1708 -155 -88 -509 C -ATOM 1713 O GLY A 212 -5.245 -42.464 5.267 1.00 16.51 O -ANISOU 1713 O GLY A 212 2863 1579 1830 -421 31 -336 O -ATOM 1714 N ASP A 213 -4.722 -40.594 4.178 1.00 11.18 N -ANISOU 1714 N ASP A 213 1424 1370 1455 -137 -80 -413 N -ATOM 1715 CA ASP A 213 -4.341 -39.907 5.403 1.00 9.56 C -ANISOU 1715 CA ASP A 213 1006 1308 1319 -67 -33 -308 C -ATOM 1716 C ASP A 213 -5.507 -39.081 5.941 1.00 8.91 C -ANISOU 1716 C ASP A 213 913 1213 1260 -74 -92 -225 C -ATOM 1717 O ASP A 213 -6.328 -38.566 5.176 1.00 9.65 O -ANISOU 1717 O ASP A 213 1128 1286 1253 70 -238 -213 O -ATOM 1718 CB ASP A 213 -3.119 -39.041 5.140 1.00 9.14 C -ANISOU 1718 CB ASP A 213 965 1268 1241 -44 2 -192 C -ATOM 1719 CG ASP A 213 -1.921 -39.857 4.728 1.00 9.53 C -ANISOU 1719 CG ASP A 213 1082 1269 1272 88 110 -81 C -ATOM 1720 OD1 ASP A 213 -1.742 -40.967 5.289 1.00 10.55 O -ANISOU 1720 OD1 ASP A 213 1234 1378 1395 100 223 57 O -ATOM 1721 OD2 ASP A 213 -1.145 -39.377 3.867 1.00 9.94 O -ANISOU 1721 OD2 ASP A 213 978 1507 1292 60 107 -25 O -ATOM 1722 N PRO A 214 -5.571 -38.937 7.267 1.00 8.49 N -ANISOU 1722 N PRO A 214 769 1271 1186 -60 -1 -105 N -ATOM 1723 CA PRO A 214 -6.680 -38.203 7.884 1.00 8.36 C -ANISOU 1723 CA PRO A 214 761 1236 1178 -125 -17 -167 C -ATOM 1724 C PRO A 214 -6.648 -36.717 7.573 1.00 8.22 C -ANISOU 1724 C PRO A 214 731 1229 1163 -154 -20 -98 C -ATOM 1725 O PRO A 214 -5.587 -36.095 7.437 1.00 8.41 O -ANISOU 1725 O PRO A 214 757 1300 1139 -152 85 -29 O -ATOM 1726 CB PRO A 214 -6.464 -38.432 9.382 1.00 8.98 C -ANISOU 1726 CB PRO A 214 949 1250 1213 -86 48 -18 C -ATOM 1727 CG PRO A 214 -4.963 -38.660 9.491 1.00 8.84 C -ANISOU 1727 CG PRO A 214 942 1262 1156 -101 81 -16 C -ATOM 1728 CD PRO A 214 -4.635 -39.468 8.274 1.00 8.49 C -ANISOU 1728 CD PRO A 214 825 1239 1160 -9 -4 -90 C -ATOM 1729 N ASP A 215 -7.846 -36.146 7.486 1.00 8.67 N -ANISOU 1729 N ASP A 215 728 1274 1293 -128 -74 8 N -ATOM 1730 CA ASP A 215 -8.027 -34.719 7.241 1.00 9.13 C -ANISOU 1730 CA ASP A 215 803 1251 1415 -62 -108 -83 C -ATOM 1731 C ASP A 215 -8.878 -34.082 8.328 1.00 9.66 C -ANISOU 1731 C ASP A 215 908 1322 1438 42 -31 -74 C -ATOM 1732 O ASP A 215 -9.387 -32.972 8.172 1.00 10.34 O -ANISOU 1732 O ASP A 215 1019 1464 1447 126 -70 -84 O -ATOM 1733 CB ASP A 215 -8.633 -34.479 5.857 1.00 9.60 C -ANISOU 1733 CB ASP A 215 810 1293 1542 -102 -253 -101 C -ATOM 1734 CG ASP A 215 -9.993 -35.153 5.675 1.00 11.08 C -ANISOU 1734 CG ASP A 215 923 1561 1725 -27 -399 -135 C -ATOM 1735 OD1 ASP A 215 -10.489 -35.780 6.629 1.00 11.75 O -ANISOU 1735 OD1 ASP A 215 917 1677 1869 -180 -355 113 O -ATOM 1736 OD2 ASP A 215 -10.559 -35.061 4.576 1.00 11.02 O -ANISOU 1736 OD2 ASP A 215 956 1425 1806 -14 -461 -360 O -ATOM 1737 N HIS A 216 -8.987 -34.791 9.440 1.00 9.49 N -ANISOU 1737 N HIS A 216 858 1289 1458 51 124 -67 N -ATOM 1738 CA HIS A 216 -9.755 -34.348 10.585 1.00 9.82 C -ANISOU 1738 CA HIS A 216 954 1217 1558 -102 194 7 C -ATOM 1739 C HIS A 216 -9.234 -35.098 11.800 1.00 9.75 C -ANISOU 1739 C HIS A 216 1036 1184 1484 -66 215 -24 C -ATOM 1740 O HIS A 216 -8.925 -36.279 11.712 1.00 9.98 O -ANISOU 1740 O HIS A 216 1152 1136 1503 -32 218 -57 O -ATOM 1741 CB HIS A 216 -11.237 -34.621 10.372 1.00 11.83 C -ANISOU 1741 CB HIS A 216 1114 1581 1801 -98 282 46 C -ATOM 1742 CG HIS A 216 -12.104 -33.882 11.324 1.00 13.25 C -ANISOU 1742 CG HIS A 216 1272 1713 2051 -147 269 64 C -ATOM 1743 ND1 HIS A 216 -12.362 -34.337 12.598 1.00 14.78 N -ANISOU 1743 ND1 HIS A 216 1430 2033 2154 99 191 24 N -ATOM 1744 CD2 HIS A 216 -12.667 -32.658 11.234 1.00 14.73 C -ANISOU 1744 CD2 HIS A 216 1438 1979 2179 142 200 -15 C -ATOM 1745 CE1 HIS A 216 -13.162 -33.476 13.210 1.00 16.16 C -ANISOU 1745 CE1 HIS A 216 1702 2177 2262 212 108 -20 C -ATOM 1746 NE2 HIS A 216 -13.358 -32.444 12.406 1.00 16.59 N -ANISOU 1746 NE2 HIS A 216 1796 2218 2288 293 171 20 N -ATOM 1747 N TYR A 217 -9.145 -34.404 12.932 1.00 9.75 N -ANISOU 1747 N TYR A 217 1110 1167 1427 -51 289 46 N -ATOM 1748 CA TYR A 217 -8.610 -34.992 14.155 1.00 10.14 C -ANISOU 1748 CA TYR A 217 1141 1306 1407 -31 296 -44 C -ATOM 1749 C TYR A 217 -9.369 -36.241 14.599 1.00 11.17 C -ANISOU 1749 C TYR A 217 1237 1481 1526 34 273 -75 C -ATOM 1750 O TYR A 217 -8.787 -37.140 15.204 1.00 11.36 O -ANISOU 1750 O TYR A 217 1426 1437 1452 151 234 11 O -ATOM 1751 CB TYR A 217 -8.643 -33.940 15.257 1.00 10.45 C -ANISOU 1751 CB TYR A 217 1197 1354 1418 15 240 -82 C -ATOM 1752 CG TYR A 217 -7.821 -34.279 16.476 1.00 10.62 C -ANISOU 1752 CG TYR A 217 1157 1438 1442 47 208 -52 C -ATOM 1753 CD1 TYR A 217 -6.432 -34.365 16.415 1.00 10.38 C -ANISOU 1753 CD1 TYR A 217 1084 1442 1419 -34 179 -124 C -ATOM 1754 CD2 TYR A 217 -8.428 -34.469 17.702 1.00 11.55 C -ANISOU 1754 CD2 TYR A 217 1168 1761 1460 129 232 28 C -ATOM 1755 CE1 TYR A 217 -5.683 -34.652 17.540 1.00 10.44 C -ANISOU 1755 CE1 TYR A 217 1025 1514 1429 -113 184 -76 C -ATOM 1756 CE2 TYR A 217 -7.684 -34.754 18.825 1.00 11.74 C -ANISOU 1756 CE2 TYR A 217 1116 1884 1460 28 232 53 C -ATOM 1757 CZ TYR A 217 -6.316 -34.856 18.737 1.00 10.84 C -ANISOU 1757 CZ TYR A 217 1051 1633 1436 -148 203 22 C -ATOM 1758 OH TYR A 217 -5.593 -35.149 19.870 1.00 11.77 O -ANISOU 1758 OH TYR A 217 1186 1852 1434 -32 280 67 O -ATOM 1759 N SER A 218 -10.662 -36.299 14.291 1.00 11.49 N -ANISOU 1759 N SER A 218 1134 1545 1688 -73 437 75 N -ATOM 1760 CA SER A 218 -11.473 -37.478 14.610 1.00 12.77 C -ANISOU 1760 CA SER A 218 1377 1598 1879 -194 500 82 C -ATOM 1761 C SER A 218 -11.033 -38.750 13.881 1.00 13.83 C -ANISOU 1761 C SER A 218 1671 1481 2103 -159 700 144 C -ATOM 1762 O SER A 218 -11.435 -39.848 14.252 1.00 15.59 O -ANISOU 1762 O SER A 218 2016 1596 2309 -61 920 85 O -ATOM 1763 CB SER A 218 -12.963 -37.221 14.316 1.00 13.05 C -ANISOU 1763 CB SER A 218 1279 1796 1884 -261 488 -7 C -ATOM 1764 OG SER A 218 -13.215 -37.145 12.923 1.00 13.91 O -ANISOU 1764 OG SER A 218 1413 1893 1980 -179 351 -184 O -ATOM 1765 N LYS A 219 -10.249 -38.599 12.821 1.00 12.83 N -ANISOU 1765 N LYS A 219 1446 1285 2143 -280 704 14 N -ATOM 1766 CA LYS A 219 -9.746 -39.717 12.037 1.00 13.36 C -ANISOU 1766 CA LYS A 219 1500 1338 2237 -312 641 -21 C -ATOM 1767 C LYS A 219 -8.275 -39.987 12.312 1.00 13.31 C -ANISOU 1767 C LYS A 219 1486 1265 2307 -201 677 -5 C -ATOM 1768 O LYS A 219 -7.640 -40.731 11.573 1.00 13.87 O -ANISOU 1768 O LYS A 219 1603 1288 2378 -256 853 -73 O -ATOM 1769 CB LYS A 219 -9.949 -39.456 10.543 1.00 14.16 C -ANISOU 1769 CB LYS A 219 1619 1542 2220 -369 614 16 C -ATOM 1770 CG LYS A 219 -11.427 -39.224 10.162 1.00 15.15 C -ANISOU 1770 CG LYS A 219 1792 1786 2177 -402 547 -44 C -ATOM 1771 CD LYS A 219 -11.685 -39.307 8.650 1.00 16.92 C -ANISOU 1771 CD LYS A 219 2072 2155 2203 -150 485 -88 C -ATOM 1772 CE LYS A 219 -13.150 -38.991 8.307 1.00 17.02 C -ANISOU 1772 CE LYS A 219 2259 2023 2187 -307 336 -195 C -ATOM 1773 NZ LYS A 219 -13.503 -39.246 6.848 1.00 17.79 N -ANISOU 1773 NZ LYS A 219 2427 2111 2222 -137 301 -215 N -ATOM 1774 N ARG A 220 -7.720 -39.410 13.373 1.00 12.85 N -ANISOU 1774 N ARG A 220 1375 1246 2260 -143 626 88 N -ATOM 1775 CA ARG A 220 -6.305 -39.626 13.667 1.00 12.87 C -ANISOU 1775 CA ARG A 220 1481 1159 2250 -167 479 180 C -ATOM 1776 C ARG A 220 -5.996 -41.091 13.960 1.00 12.22 C -ANISOU 1776 C ARG A 220 1341 1133 2168 -269 574 241 C -ATOM 1777 O ARG A 220 -6.817 -41.825 14.500 1.00 12.85 O -ANISOU 1777 O ARG A 220 1405 1252 2224 -272 658 312 O -ATOM 1778 CB ARG A 220 -5.864 -38.752 14.831 1.00 14.17 C -ANISOU 1778 CB ARG A 220 1770 1317 2295 -15 226 -5 C -ATOM 1779 CG ARG A 220 -6.412 -39.163 16.170 1.00 15.19 C -ANISOU 1779 CG ARG A 220 2170 1364 2238 144 35 -99 C -ATOM 1780 CD ARG A 220 -6.201 -38.051 17.166 1.00 17.70 C -ANISOU 1780 CD ARG A 220 2719 1787 2218 280 -1 -51 C -ATOM 1781 NE ARG A 220 -6.746 -38.368 18.480 1.00 20.21 N -ANISOU 1781 NE ARG A 220 3265 2203 2212 440 13 50 N -ATOM 1782 CZ ARG A 220 -8.029 -38.261 18.808 1.00 22.02 C -ANISOU 1782 CZ ARG A 220 3631 2546 2188 454 171 190 C -ATOM 1783 NH1 ARG A 220 -8.922 -37.852 17.917 1.00 21.44 N -ANISOU 1783 NH1 ARG A 220 3544 2441 2159 230 128 97 N -ATOM 1784 NH2 ARG A 220 -8.425 -38.576 20.037 1.00 23.89 N -ANISOU 1784 NH2 ARG A 220 3976 2901 2200 590 266 296 N -ATOM 1785 N TYR A 221 -4.790 -41.491 13.581 1.00 11.90 N -ANISOU 1785 N TYR A 221 1255 1210 2057 -218 536 185 N -ATOM 1786 CA TYR A 221 -4.248 -42.806 13.891 1.00 12.08 C -ANISOU 1786 CA TYR A 221 1433 1255 1903 -197 607 164 C -ATOM 1787 C TYR A 221 -3.596 -42.807 15.276 1.00 13.88 C -ANISOU 1787 C TYR A 221 2049 1306 1918 -130 798 321 C -ATOM 1788 O TYR A 221 -2.847 -41.905 15.609 1.00 14.33 O -ANISOU 1788 O TYR A 221 2301 1353 1790 -202 669 189 O -ATOM 1789 CB TYR A 221 -3.208 -43.147 12.823 1.00 11.38 C -ANISOU 1789 CB TYR A 221 1304 1309 1711 -106 475 99 C -ATOM 1790 CG TYR A 221 -2.488 -44.455 13.048 1.00 11.11 C -ANISOU 1790 CG TYR A 221 1230 1409 1582 -127 349 30 C -ATOM 1791 CD1 TYR A 221 -3.103 -45.668 12.785 1.00 11.17 C -ANISOU 1791 CD1 TYR A 221 1244 1430 1569 -189 206 -1 C -ATOM 1792 CD2 TYR A 221 -1.198 -44.473 13.524 1.00 11.15 C -ANISOU 1792 CD2 TYR A 221 1224 1435 1577 -282 324 39 C -ATOM 1793 CE1 TYR A 221 -2.449 -46.860 12.984 1.00 11.66 C -ANISOU 1793 CE1 TYR A 221 1457 1328 1647 -179 167 -79 C -ATOM 1794 CE2 TYR A 221 -0.528 -45.657 13.719 1.00 11.48 C -ANISOU 1794 CE2 TYR A 221 1304 1453 1604 -156 266 -21 C -ATOM 1795 CZ TYR A 221 -1.164 -46.853 13.459 1.00 12.08 C -ANISOU 1795 CZ TYR A 221 1477 1439 1676 -51 202 -16 C -ATOM 1796 OH TYR A 221 -0.511 -48.045 13.650 1.00 13.45 O -ANISOU 1796 OH TYR A 221 1724 1566 1820 -15 170 -204 O -ATOM 1797 N THR A 222 -3.861 -43.822 16.091 1.00 16.08 N -ANISOU 1797 N THR A 222 2517 1524 2067 16 940 442 N -ATOM 1798 CA THR A 222 -3.240 -43.857 17.411 1.00 19.51 C -ANISOU 1798 CA THR A 222 3096 2064 2252 246 978 508 C -ATOM 1799 C THR A 222 -2.550 -45.172 17.703 1.00 19.36 C -ANISOU 1799 C THR A 222 3057 2110 2189 72 838 542 C -ATOM 1800 O THR A 222 -2.270 -45.471 18.865 1.00 20.82 O -ANISOU 1800 O THR A 222 3305 2406 2201 161 849 616 O -ATOM 1801 CB THR A 222 -4.247 -43.582 18.526 1.00 22.84 C -ANISOU 1801 CB THR A 222 3582 2646 2453 588 1083 506 C -ATOM 1802 OG1 THR A 222 -5.290 -44.550 18.455 1.00 23.52 O -ANISOU 1802 OG1 THR A 222 3539 2810 2588 407 1214 651 O -ATOM 1803 CG2 THR A 222 -4.853 -42.198 18.393 1.00 24.41 C -ANISOU 1803 CG2 THR A 222 3888 2906 2481 847 1079 447 C -ATOM 1804 N GLY A 223 -2.258 -45.940 16.657 1.00 17.43 N -ANISOU 1804 N GLY A 223 2778 1723 2120 -202 763 483 N -ATOM 1805 CA GLY A 223 -1.471 -47.148 16.793 1.00 16.85 C -ANISOU 1805 CA GLY A 223 2576 1757 2069 -454 728 397 C -ATOM 1806 C GLY A 223 0.007 -46.818 16.815 1.00 16.45 C -ANISOU 1806 C GLY A 223 2483 1769 1998 -628 668 343 C -ATOM 1807 O GLY A 223 0.398 -45.649 16.902 1.00 16.50 O -ANISOU 1807 O GLY A 223 2404 1867 1999 -537 718 326 O -ATOM 1808 N THR A 224 0.832 -47.854 16.725 1.00 16.63 N -ANISOU 1808 N THR A 224 2547 1858 1912 -531 570 388 N -ATOM 1809 CA THR A 224 2.269 -47.682 16.880 1.00 17.23 C -ANISOU 1809 CA THR A 224 2588 2105 1854 -303 432 425 C -ATOM 1810 C THR A 224 3.084 -47.656 15.588 1.00 15.09 C -ANISOU 1810 C THR A 224 2298 1771 1666 -300 310 354 C -ATOM 1811 O THR A 224 4.258 -47.315 15.627 1.00 15.47 O -ANISOU 1811 O THR A 224 2249 2021 1609 -217 194 318 O -ATOM 1812 CB THR A 224 2.859 -48.775 17.777 1.00 19.56 C -ANISOU 1812 CB THR A 224 2925 2476 2031 4 427 518 C -ATOM 1813 OG1 THR A 224 2.713 -50.054 17.138 1.00 20.09 O -ANISOU 1813 OG1 THR A 224 3102 2386 2147 149 448 694 O -ATOM 1814 CG2 THR A 224 2.154 -48.776 19.133 1.00 20.61 C -ANISOU 1814 CG2 THR A 224 3014 2762 2055 92 435 551 C -ATOM 1815 N GLN A 225 2.491 -48.018 14.453 1.00 12.74 N -ANISOU 1815 N GLN A 225 2024 1265 1549 -424 300 269 N -ATOM 1816 CA AGLN A 225 3.267 -48.011 13.225 0.52 12.45 C -ANISOU 1816 CA AGLN A 225 1929 1237 1564 -469 309 180 C -ATOM 1817 CA BGLN A 225 3.172 -47.984 13.155 0.48 12.49 C -ANISOU 1817 CA BGLN A 225 1951 1275 1519 -392 298 190 C -ATOM 1818 C GLN A 225 3.677 -46.579 12.881 1.00 10.74 C -ANISOU 1818 C GLN A 225 1647 1129 1306 -371 208 155 C -ATOM 1819 O GLN A 225 3.053 -45.602 13.313 1.00 9.57 O -ANISOU 1819 O GLN A 225 1421 1139 1077 -442 62 77 O -ATOM 1820 CB AGLN A 225 2.490 -48.636 12.080 0.52 14.10 C -ANISOU 1820 CB AGLN A 225 2170 1360 1828 -509 357 105 C -ATOM 1821 CB BGLN A 225 2.208 -48.366 12.022 0.48 14.11 C -ANISOU 1821 CB BGLN A 225 2216 1445 1701 -301 319 116 C -ATOM 1822 CG AGLN A 225 2.090 -50.093 12.335 0.52 16.23 C -ANISOU 1822 CG AGLN A 225 2456 1610 2101 -375 381 -2 C -ATOM 1823 CG BGLN A 225 1.780 -49.831 12.013 0.48 16.31 C -ANISOU 1823 CG BGLN A 225 2524 1797 1876 -67 280 57 C -ATOM 1824 CD AGLN A 225 3.275 -51.016 12.590 0.52 18.04 C -ANISOU 1824 CD AGLN A 225 2672 1848 2334 -273 439 -47 C -ATOM 1825 CD BGLN A 225 0.820 -50.204 10.873 0.48 18.00 C -ANISOU 1825 CD BGLN A 225 2725 2106 2009 172 225 26 C -ATOM 1826 OE1AGLN A 225 4.282 -50.971 11.889 0.52 18.49 O -ANISOU 1826 OE1AGLN A 225 2764 1777 2485 -331 449 -115 O -ATOM 1827 OE1BGLN A 225 0.378 -49.363 10.081 0.48 18.27 O -ANISOU 1827 OE1BGLN A 225 2662 2255 2022 170 198 33 O -ATOM 1828 NE2AGLN A 225 3.147 -51.868 13.595 0.52 19.22 N -ANISOU 1828 NE2AGLN A 225 2801 2108 2395 -10 418 -30 N -ATOM 1829 NE2BGLN A 225 0.487 -51.485 10.803 0.48 19.44 N -ANISOU 1829 NE2BGLN A 225 2940 2350 2096 354 199 -9 N -ATOM 1830 N ASP A 226 4.767 -46.458 12.134 1.00 9.49 N -ANISOU 1830 N ASP A 226 1394 1032 1181 -237 230 117 N -ATOM 1831 CA ASP A 226 5.225 -45.163 11.649 1.00 8.55 C -ANISOU 1831 CA ASP A 226 1210 992 1046 -234 161 27 C -ATOM 1832 C ASP A 226 5.425 -44.169 12.793 1.00 8.22 C -ANISOU 1832 C ASP A 226 1078 1041 1005 -109 122 69 C -ATOM 1833 O ASP A 226 5.040 -43.006 12.701 1.00 8.07 O -ANISOU 1833 O ASP A 226 1137 928 1000 -61 144 43 O -ATOM 1834 CB ASP A 226 4.220 -44.649 10.603 1.00 8.76 C -ANISOU 1834 CB ASP A 226 1328 973 1028 -153 75 -44 C -ATOM 1835 CG ASP A 226 4.608 -43.331 9.963 1.00 8.74 C -ANISOU 1835 CG ASP A 226 1297 1028 997 -160 44 34 C -ATOM 1836 OD1 ASP A 226 5.815 -43.094 9.705 1.00 9.36 O -ANISOU 1836 OD1 ASP A 226 1356 1099 1103 -235 93 101 O -ATOM 1837 OD2 ASP A 226 3.680 -42.553 9.656 1.00 8.78 O -ANISOU 1837 OD2 ASP A 226 1239 1136 959 -172 30 28 O -ATOM 1838 N ASN A 227 6.050 -44.628 13.870 1.00 8.49 N -ANISOU 1838 N ASN A 227 1171 1032 1024 -130 -21 112 N -ATOM 1839 CA ASN A 227 6.329 -43.774 15.034 1.00 8.45 C -ANISOU 1839 CA ASN A 227 1162 998 1050 -57 -119 72 C -ATOM 1840 C ASN A 227 5.051 -43.125 15.571 1.00 8.21 C -ANISOU 1840 C ASN A 227 1165 986 967 -57 -149 41 C -ATOM 1841 O ASN A 227 5.025 -41.981 15.986 1.00 8.67 O -ANISOU 1841 O ASN A 227 1263 1107 925 -60 -113 46 O -ATOM 1842 CB ASN A 227 7.379 -42.723 14.709 1.00 9.31 C -ANISOU 1842 CB ASN A 227 1203 1118 1217 -95 -129 -47 C -ATOM 1843 CG ASN A 227 8.742 -43.333 14.557 1.00 10.57 C -ANISOU 1843 CG ASN A 227 1207 1463 1345 -90 -175 79 C -ATOM 1844 OD1 ASN A 227 9.291 -43.870 15.507 1.00 12.31 O -ANISOU 1844 OD1 ASN A 227 1439 1753 1487 110 -215 198 O -ATOM 1845 ND2 ASN A 227 9.301 -43.254 13.378 1.00 11.91 N -ANISOU 1845 ND2 ASN A 227 1200 1920 1405 193 -181 112 N -ATOM 1846 N GLY A 228 3.973 -43.897 15.584 1.00 8.21 N -ANISOU 1846 N GLY A 228 1224 969 928 -97 -93 125 N -ATOM 1847 CA GLY A 228 2.694 -43.373 16.008 1.00 8.57 C -ANISOU 1847 CA GLY A 228 1163 1119 974 -119 -3 126 C -ATOM 1848 C GLY A 228 2.022 -42.519 14.946 1.00 8.74 C -ANISOU 1848 C GLY A 228 1127 1142 1053 -138 81 137 C -ATOM 1849 O GLY A 228 1.302 -41.589 15.261 1.00 10.71 O -ANISOU 1849 O GLY A 228 1501 1337 1233 134 181 116 O -ATOM 1850 N GLY A 229 2.251 -42.850 13.680 1.00 7.75 N -ANISOU 1850 N GLY A 229 955 1042 948 -178 23 74 N -ATOM 1851 CA GLY A 229 1.574 -42.205 12.569 1.00 8.04 C -ANISOU 1851 CA GLY A 229 962 1192 900 -207 50 132 C -ATOM 1852 C GLY A 229 2.117 -40.853 12.150 1.00 7.31 C -ANISOU 1852 C GLY A 229 893 1056 827 -214 54 147 C -ATOM 1853 O GLY A 229 1.335 -40.007 11.702 1.00 7.81 O -ANISOU 1853 O GLY A 229 909 1149 909 -104 63 216 O -ATOM 1854 N VAL A 230 3.421 -40.608 12.269 1.00 6.47 N -ANISOU 1854 N VAL A 230 849 850 761 -165 42 123 N -ATOM 1855 CA VAL A 230 3.906 -39.253 12.008 1.00 6.58 C -ANISOU 1855 CA VAL A 230 831 967 703 -51 -16 5 C -ATOM 1856 C VAL A 230 3.676 -38.811 10.561 1.00 6.19 C -ANISOU 1856 C VAL A 230 724 960 670 -59 -28 -38 C -ATOM 1857 O VAL A 230 3.453 -37.615 10.324 1.00 6.89 O -ANISOU 1857 O VAL A 230 864 1053 702 -118 -73 8 O -ATOM 1858 CB VAL A 230 5.383 -39.053 12.436 1.00 6.54 C -ANISOU 1858 CB VAL A 230 856 984 644 -112 -53 -53 C -ATOM 1859 CG1 VAL A 230 5.527 -39.326 13.930 1.00 6.67 C -ANISOU 1859 CG1 VAL A 230 950 1061 523 -133 -49 -170 C -ATOM 1860 CG2 VAL A 230 6.339 -39.907 11.635 1.00 6.85 C -ANISOU 1860 CG2 VAL A 230 820 1054 728 -112 -31 41 C -ATOM 1861 N HIS A 231 3.746 -39.750 9.606 1.00 5.87 N -ANISOU 1861 N HIS A 231 772 814 643 -102 -5 4 N -ATOM 1862 CA HIS A 231 3.486 -39.432 8.194 1.00 6.27 C -ANISOU 1862 CA HIS A 231 748 988 649 -149 14 47 C -ATOM 1863 C HIS A 231 2.022 -39.560 7.798 1.00 6.81 C -ANISOU 1863 C HIS A 231 731 1124 731 -208 -48 130 C -ATOM 1864 O HIS A 231 1.666 -39.278 6.657 1.00 8.41 O -ANISOU 1864 O HIS A 231 895 1507 795 -179 -183 130 O -ATOM 1865 CB HIS A 231 4.303 -40.322 7.239 1.00 6.65 C -ANISOU 1865 CB HIS A 231 833 1076 619 -115 42 58 C -ATOM 1866 CG HIS A 231 5.778 -40.171 7.372 1.00 6.56 C -ANISOU 1866 CG HIS A 231 912 1022 559 -92 24 31 C -ATOM 1867 ND1 HIS A 231 6.528 -40.962 8.211 1.00 6.61 N -ANISOU 1867 ND1 HIS A 231 902 1019 590 -153 116 61 N -ATOM 1868 CD2 HIS A 231 6.646 -39.329 6.768 1.00 6.76 C -ANISOU 1868 CD2 HIS A 231 899 1113 557 -64 26 -35 C -ATOM 1869 CE1 HIS A 231 7.794 -40.593 8.145 1.00 6.91 C -ANISOU 1869 CE1 HIS A 231 998 1032 595 -223 115 14 C -ATOM 1870 NE2 HIS A 231 7.893 -39.606 7.270 1.00 6.83 N -ANISOU 1870 NE2 HIS A 231 966 1036 592 -193 72 -94 N -ATOM 1871 N ILE A 232 1.193 -39.970 8.746 1.00 6.72 N -ANISOU 1871 N ILE A 232 699 1057 798 -216 17 64 N -ATOM 1872 CA ILE A 232 -0.234 -40.194 8.553 1.00 7.33 C -ANISOU 1872 CA ILE A 232 766 1121 899 -107 12 -37 C -ATOM 1873 C ILE A 232 -0.997 -39.005 9.140 1.00 6.92 C -ANISOU 1873 C ILE A 232 829 1010 791 -249 -25 27 C -ATOM 1874 O ILE A 232 -1.693 -38.284 8.430 1.00 7.21 O -ANISOU 1874 O ILE A 232 931 1102 705 -204 -145 -30 O -ATOM 1875 CB ILE A 232 -0.658 -41.519 9.218 1.00 8.10 C -ANISOU 1875 CB ILE A 232 822 1100 1154 -192 22 -65 C -ATOM 1876 CG1 ILE A 232 0.090 -42.700 8.587 1.00 8.97 C -ANISOU 1876 CG1 ILE A 232 1000 1104 1304 -148 -44 -37 C -ATOM 1877 CG2 ILE A 232 -2.164 -41.700 9.125 1.00 9.03 C -ANISOU 1877 CG2 ILE A 232 933 1252 1247 -184 17 16 C -ATOM 1878 CD1 ILE A 232 -0.104 -44.019 9.318 1.00 9.89 C -ANISOU 1878 CD1 ILE A 232 1288 1080 1391 -99 -108 -53 C -ATOM 1879 N ASN A 233 -0.838 -38.800 10.444 1.00 6.93 N -ANISOU 1879 N ASN A 233 821 1032 781 -250 4 77 N -ATOM 1880 CA ASN A 233 -1.481 -37.703 11.127 1.00 6.92 C -ANISOU 1880 CA ASN A 233 838 1024 768 -140 -4 6 C -ATOM 1881 C ASN A 233 -0.989 -36.332 10.702 1.00 6.25 C -ANISOU 1881 C ASN A 233 695 964 718 -198 20 -14 C -ATOM 1882 O ASN A 233 -1.644 -35.330 10.987 1.00 6.81 O -ANISOU 1882 O ASN A 233 874 956 758 -24 -5 -148 O -ATOM 1883 CB ASN A 233 -1.343 -37.864 12.639 1.00 7.72 C -ANISOU 1883 CB ASN A 233 977 1092 866 -193 76 -17 C -ATOM 1884 CG ASN A 233 -2.112 -39.055 13.152 1.00 8.98 C -ANISOU 1884 CG ASN A 233 1160 1153 1100 -188 10 9 C -ATOM 1885 OD1 ASN A 233 -3.136 -39.436 12.590 1.00 9.59 O -ANISOU 1885 OD1 ASN A 233 1085 1245 1314 -282 91 193 O -ATOM 1886 ND2 ASN A 233 -1.619 -39.660 14.216 1.00 10.42 N -ANISOU 1886 ND2 ASN A 233 1405 1395 1161 -307 9 158 N -ATOM 1887 N SER A 234 0.142 -36.265 10.008 1.00 6.12 N -ANISOU 1887 N SER A 234 700 952 673 -195 8 1 N -ATOM 1888 CA SER A 234 0.564 -35.008 9.415 1.00 6.55 C -ANISOU 1888 CA SER A 234 810 1016 664 -181 -64 -42 C -ATOM 1889 C SER A 234 -0.515 -34.467 8.483 1.00 6.43 C -ANISOU 1889 C SER A 234 787 946 711 -211 1 11 C -ATOM 1890 O SER A 234 -0.585 -33.275 8.275 1.00 6.84 O -ANISOU 1890 O SER A 234 839 955 805 -142 5 -40 O -ATOM 1891 CB SER A 234 1.862 -35.199 8.656 1.00 6.48 C -ANISOU 1891 CB SER A 234 811 1017 633 -169 -149 -65 C -ATOM 1892 OG SER A 234 1.694 -36.204 7.675 1.00 7.00 O -ANISOU 1892 OG SER A 234 829 1191 641 -109 -72 -86 O -ATOM 1893 N GLY A 235 -1.371 -35.335 7.952 1.00 6.42 N -ANISOU 1893 N GLY A 235 727 1025 688 -91 -42 27 N -ATOM 1894 CA GLY A 235 -2.421 -34.896 7.050 1.00 6.99 C -ANISOU 1894 CA GLY A 235 775 1113 768 -127 -93 -95 C -ATOM 1895 C GLY A 235 -3.364 -33.887 7.691 1.00 7.18 C -ANISOU 1895 C GLY A 235 873 1079 778 -43 5 -4 C -ATOM 1896 O GLY A 235 -3.886 -33.004 7.027 1.00 7.28 O -ANISOU 1896 O GLY A 235 837 1121 806 -77 -78 -75 O -ATOM 1897 N ILE A 236 -3.595 -34.025 8.993 1.00 6.73 N -ANISOU 1897 N ILE A 236 762 1038 756 -136 -24 -80 N -ATOM 1898 CA ILE A 236 -4.506 -33.139 9.699 1.00 7.00 C -ANISOU 1898 CA ILE A 236 789 1116 754 -49 29 -110 C -ATOM 1899 C ILE A 236 -3.945 -31.719 9.728 1.00 7.19 C -ANISOU 1899 C ILE A 236 781 1137 814 -12 -33 -103 C -ATOM 1900 O ILE A 236 -4.673 -30.748 9.502 1.00 7.71 O -ANISOU 1900 O ILE A 236 883 1186 858 -15 -29 -50 O -ATOM 1901 CB ILE A 236 -4.746 -33.678 11.120 1.00 7.84 C -ANISOU 1901 CB ILE A 236 926 1222 832 -77 151 -78 C -ATOM 1902 CG1 ILE A 236 -5.519 -35.007 11.062 1.00 8.67 C -ANISOU 1902 CG1 ILE A 236 1045 1274 976 -171 174 2 C -ATOM 1903 CG2 ILE A 236 -5.505 -32.686 11.982 1.00 8.14 C -ANISOU 1903 CG2 ILE A 236 967 1264 862 -47 186 -131 C -ATOM 1904 CD1 ILE A 236 -5.280 -35.917 12.252 1.00 8.73 C -ANISOU 1904 CD1 ILE A 236 1181 1107 1027 -228 240 -21 C -ATOM 1905 N ILE A 237 -2.647 -31.601 9.998 1.00 6.57 N -ANISOU 1905 N ILE A 237 770 955 773 -31 -112 1 N -ATOM 1906 CA ILE A 237 -1.987 -30.301 10.025 1.00 6.69 C -ANISOU 1906 CA ILE A 237 851 1014 678 -175 -51 -121 C -ATOM 1907 C ILE A 237 -1.731 -29.758 8.606 1.00 6.68 C -ANISOU 1907 C ILE A 237 879 1000 660 -33 -43 -125 C -ATOM 1908 O ILE A 237 -1.901 -28.562 8.352 1.00 6.84 O -ANISOU 1908 O ILE A 237 930 992 677 -79 -55 -153 O -ATOM 1909 CB ILE A 237 -0.689 -30.387 10.827 1.00 7.03 C -ANISOU 1909 CB ILE A 237 876 1153 643 -97 -37 -21 C -ATOM 1910 CG1 ILE A 237 -0.959 -30.929 12.238 1.00 7.73 C -ANISOU 1910 CG1 ILE A 237 940 1390 609 -174 53 22 C -ATOM 1911 CG2 ILE A 237 0.004 -29.026 10.849 1.00 6.79 C -ANISOU 1911 CG2 ILE A 237 842 1096 640 -136 -33 -94 C -ATOM 1912 CD1 ILE A 237 -2.067 -30.219 12.992 1.00 8.69 C -ANISOU 1912 CD1 ILE A 237 1156 1534 612 -210 -20 3 C -ATOM 1913 N ASN A 238 -1.360 -30.631 7.674 1.00 5.99 N -ANISOU 1913 N ASN A 238 743 889 644 0 -55 -67 N -ATOM 1914 CA ASN A 238 -1.194 -30.235 6.285 1.00 6.21 C -ANISOU 1914 CA ASN A 238 730 967 663 17 -135 -50 C -ATOM 1915 C ASN A 238 -2.485 -29.649 5.731 1.00 6.28 C -ANISOU 1915 C ASN A 238 741 911 732 -95 -138 -112 C -ATOM 1916 O ASN A 238 -2.458 -28.634 5.033 1.00 6.71 O -ANISOU 1916 O ASN A 238 814 1017 717 -45 -93 -15 O -ATOM 1917 CB ASN A 238 -0.752 -31.412 5.417 1.00 6.53 C -ANISOU 1917 CB ASN A 238 849 998 634 -19 -102 -60 C -ATOM 1918 CG ASN A 238 0.713 -31.758 5.582 1.00 6.32 C -ANISOU 1918 CG ASN A 238 784 1030 588 -16 -111 -103 C -ATOM 1919 OD1 ASN A 238 1.505 -30.995 6.139 1.00 6.99 O -ANISOU 1919 OD1 ASN A 238 828 1206 623 50 -139 -127 O -ATOM 1920 ND2 ASN A 238 1.082 -32.909 5.071 1.00 6.41 N -ANISOU 1920 ND2 ASN A 238 664 1160 611 1 -106 -113 N -ATOM 1921 N LYS A 239 -3.611 -30.279 6.052 1.00 6.84 N -ANISOU 1921 N LYS A 239 734 1036 829 -17 -121 -101 N -ATOM 1922 CA LYS A 239 -4.898 -29.773 5.604 1.00 7.04 C -ANISOU 1922 CA LYS A 239 717 1043 916 -58 -161 -155 C -ATOM 1923 C LYS A 239 -5.179 -28.401 6.212 1.00 7.04 C -ANISOU 1923 C LYS A 239 738 1124 813 -23 -92 -102 C -ATOM 1924 O LYS A 239 -5.650 -27.499 5.521 1.00 7.57 O -ANISOU 1924 O LYS A 239 865 1180 834 47 -73 -35 O -ATOM 1925 CB LYS A 239 -6.017 -30.754 5.960 1.00 7.94 C -ANISOU 1925 CB LYS A 239 812 1127 1078 30 -114 -324 C -ATOM 1926 CG LYS A 239 -7.405 -30.302 5.487 1.00 8.59 C -ANISOU 1926 CG LYS A 239 829 1219 1215 16 -196 -382 C -ATOM 1927 CD LYS A 239 -7.590 -30.502 3.991 1.00 10.28 C -ANISOU 1927 CD LYS A 239 893 1669 1344 85 -416 -564 C -ATOM 1928 CE LYS A 239 -8.832 -29.776 3.486 1.00 12.85 C -ANISOU 1928 CE LYS A 239 1165 2287 1431 345 -523 -722 C -ATOM 1929 NZ LYS A 239 -9.206 -30.183 2.105 1.00 15.20 N -ANISOU 1929 NZ LYS A 239 1352 2891 1531 575 -538 -809 N -ATOM 1930 N ALA A 240 -4.900 -28.225 7.499 1.00 7.11 N -ANISOU 1930 N ALA A 240 822 1070 811 27 -23 -138 N -ATOM 1931 CA ALA A 240 -5.086 -26.928 8.132 1.00 7.22 C -ANISOU 1931 CA ALA A 240 922 1047 773 -17 74 -66 C -ATOM 1932 C ALA A 240 -4.235 -25.849 7.454 1.00 7.04 C -ANISOU 1932 C ALA A 240 856 1123 696 41 -38 2 C -ATOM 1933 O ALA A 240 -4.707 -24.744 7.214 1.00 7.37 O -ANISOU 1933 O ALA A 240 947 1124 730 52 -111 -26 O -ATOM 1934 CB ALA A 240 -4.768 -27.019 9.616 1.00 8.06 C -ANISOU 1934 CB ALA A 240 1081 1133 848 97 110 -63 C -ATOM 1935 N ALA A 241 -2.984 -26.170 7.151 1.00 6.87 N -ANISOU 1935 N ALA A 241 749 1140 721 23 -47 -11 N -ATOM 1936 CA ALA A 241 -2.082 -25.220 6.497 1.00 7.15 C -ANISOU 1936 CA ALA A 241 795 1137 785 -28 -107 7 C -ATOM 1937 C ALA A 241 -2.587 -24.860 5.103 1.00 7.22 C -ANISOU 1937 C ALA A 241 805 1137 803 18 -118 -99 C -ATOM 1938 O ALA A 241 -2.619 -23.684 4.720 1.00 7.20 O -ANISOU 1938 O ALA A 241 888 1061 788 138 -142 -27 O -ATOM 1939 CB ALA A 241 -0.677 -25.813 6.428 1.00 7.23 C -ANISOU 1939 CB ALA A 241 860 1090 798 -78 -127 116 C -ATOM 1940 N TYR A 242 -3.002 -25.873 4.348 1.00 6.97 N -ANISOU 1940 N TYR A 242 781 1143 724 114 -118 -129 N -ATOM 1941 CA TYR A 242 -3.577 -25.664 3.035 1.00 7.32 C -ANISOU 1941 CA TYR A 242 889 1150 744 130 -137 -42 C -ATOM 1942 C TYR A 242 -4.780 -24.727 3.125 1.00 7.15 C -ANISOU 1942 C TYR A 242 884 1062 770 78 -167 50 C -ATOM 1943 O TYR A 242 -4.925 -23.790 2.328 1.00 7.71 O -ANISOU 1943 O TYR A 242 986 1229 715 141 -166 106 O -ATOM 1944 CB TYR A 242 -4.010 -26.991 2.417 1.00 8.81 C -ANISOU 1944 CB TYR A 242 1059 1400 889 179 -138 -64 C -ATOM 1945 CG TYR A 242 -4.777 -26.786 1.138 1.00 9.26 C -ANISOU 1945 CG TYR A 242 1023 1480 1016 -41 -245 -163 C -ATOM 1946 CD1 TYR A 242 -4.118 -26.538 -0.051 1.00 10.31 C -ANISOU 1946 CD1 TYR A 242 1099 1728 1092 -25 -306 -197 C -ATOM 1947 CD2 TYR A 242 -6.164 -26.786 1.125 1.00 10.70 C -ANISOU 1947 CD2 TYR A 242 1186 1750 1128 56 -291 -195 C -ATOM 1948 CE1 TYR A 242 -4.805 -26.325 -1.217 1.00 11.78 C -ANISOU 1948 CE1 TYR A 242 1314 1957 1203 44 -383 -213 C -ATOM 1949 CE2 TYR A 242 -6.861 -26.559 -0.035 1.00 12.18 C -ANISOU 1949 CE2 TYR A 242 1308 2065 1254 15 -380 -170 C -ATOM 1950 CZ TYR A 242 -6.181 -26.328 -1.201 1.00 13.14 C -ANISOU 1950 CZ TYR A 242 1487 2225 1281 70 -526 -148 C -ATOM 1951 OH TYR A 242 -6.884 -26.094 -2.360 1.00 16.54 O -ANISOU 1951 OH TYR A 242 1936 2865 1484 380 -737 -37 O -ATOM 1952 N LEU A 243 -5.658 -24.965 4.092 1.00 7.56 N -ANISOU 1952 N LEU A 243 845 1242 787 128 -116 13 N -ATOM 1953 CA LEU A 243 -6.839 -24.111 4.236 1.00 7.72 C -ANISOU 1953 CA LEU A 243 927 1211 796 18 -157 -53 C -ATOM 1954 C LEU A 243 -6.463 -22.674 4.618 1.00 7.65 C -ANISOU 1954 C LEU A 243 886 1194 828 54 -137 -54 C -ATOM 1955 O LEU A 243 -7.045 -21.720 4.103 1.00 8.16 O -ANISOU 1955 O LEU A 243 903 1248 949 174 -110 78 O -ATOM 1956 CB LEU A 243 -7.805 -24.697 5.265 1.00 8.10 C -ANISOU 1956 CB LEU A 243 965 1290 823 68 -109 -74 C -ATOM 1957 CG LEU A 243 -8.542 -25.964 4.830 1.00 8.36 C -ANISOU 1957 CG LEU A 243 882 1421 872 72 -98 -82 C -ATOM 1958 CD1 LEU A 243 -9.212 -26.600 6.021 1.00 8.32 C -ANISOU 1958 CD1 LEU A 243 891 1434 835 102 -72 -81 C -ATOM 1959 CD2 LEU A 243 -9.550 -25.699 3.703 1.00 9.73 C -ANISOU 1959 CD2 LEU A 243 1080 1628 990 94 -187 -79 C -ATOM 1960 N ILE A 244 -5.514 -22.503 5.530 1.00 7.48 N -ANISOU 1960 N ILE A 244 872 1151 818 59 -127 -89 N -ATOM 1961 CA ILE A 244 -5.072 -21.160 5.882 1.00 7.75 C -ANISOU 1961 CA ILE A 244 877 1188 880 69 -191 -43 C -ATOM 1962 C ILE A 244 -4.619 -20.400 4.632 1.00 7.95 C -ANISOU 1962 C ILE A 244 836 1264 921 211 -230 -53 C -ATOM 1963 O ILE A 244 -4.974 -19.243 4.442 1.00 7.94 O -ANISOU 1963 O ILE A 244 885 1123 1009 131 -201 47 O -ATOM 1964 CB ILE A 244 -3.946 -21.222 6.924 1.00 7.57 C -ANISOU 1964 CB ILE A 244 821 1180 876 -16 -125 17 C -ATOM 1965 CG1 ILE A 244 -4.508 -21.695 8.269 1.00 7.88 C -ANISOU 1965 CG1 ILE A 244 928 1243 823 -65 1 40 C -ATOM 1966 CG2 ILE A 244 -3.291 -19.858 7.103 1.00 8.38 C -ANISOU 1966 CG2 ILE A 244 1002 1305 877 156 -186 -44 C -ATOM 1967 CD1 ILE A 244 -3.437 -22.057 9.284 1.00 8.35 C -ANISOU 1967 CD1 ILE A 244 1134 1242 797 83 -21 -60 C -ATOM 1968 N SER A 245 -3.830 -21.051 3.784 1.00 7.60 N -ANISOU 1968 N SER A 245 785 1229 874 89 -119 81 N -ATOM 1969 CA SER A 245 -3.321 -20.389 2.596 1.00 8.11 C -ANISOU 1969 CA SER A 245 943 1215 925 93 -107 82 C -ATOM 1970 C SER A 245 -4.391 -20.184 1.522 1.00 8.36 C -ANISOU 1970 C SER A 245 1000 1189 986 79 -190 194 C -ATOM 1971 O SER A 245 -4.577 -19.072 1.017 1.00 8.96 O -ANISOU 1971 O SER A 245 1128 1183 1094 164 -139 147 O -ATOM 1972 CB SER A 245 -2.157 -21.199 2.024 1.00 8.94 C -ANISOU 1972 CB SER A 245 1047 1370 981 167 -57 102 C -ATOM 1973 OG SER A 245 -1.620 -20.594 0.870 1.00 9.45 O -ANISOU 1973 OG SER A 245 1176 1373 1039 97 -11 107 O -ATOM 1974 N GLN A 246 -5.095 -21.253 1.172 1.00 8.51 N -ANISOU 1974 N GLN A 246 951 1333 949 -19 -295 157 N -ATOM 1975 CA GLN A 246 -5.918 -21.297 -0.032 1.00 9.41 C -ANISOU 1975 CA GLN A 246 1031 1576 966 35 -361 10 C -ATOM 1976 C GLN A 246 -7.404 -21.144 0.225 1.00 9.66 C -ANISOU 1976 C GLN A 246 962 1658 1052 45 -369 2 C -ATOM 1977 O GLN A 246 -8.157 -20.919 -0.712 1.00 10.97 O -ANISOU 1977 O GLN A 246 1025 2019 1126 117 -385 18 O -ATOM 1978 CB GLN A 246 -5.686 -22.614 -0.775 1.00 10.37 C -ANISOU 1978 CB GLN A 246 1194 1810 936 146 -422 -21 C -ATOM 1979 CG GLN A 246 -4.238 -22.854 -1.161 1.00 12.01 C -ANISOU 1979 CG GLN A 246 1387 2216 959 212 -408 -46 C -ATOM 1980 CD GLN A 246 -3.698 -21.723 -1.983 1.00 13.64 C -ANISOU 1980 CD GLN A 246 1564 2664 956 124 -417 177 C -ATOM 1981 OE1 GLN A 246 -2.854 -20.962 -1.524 1.00 13.10 O -ANISOU 1981 OE1 GLN A 246 1736 2390 852 128 -372 264 O -ATOM 1982 NE2 GLN A 246 -4.220 -21.567 -3.190 1.00 16.47 N -ANISOU 1982 NE2 GLN A 246 1832 3298 1130 102 -376 286 N -ATOM 1983 N GLY A 247 -7.818 -21.292 1.479 1.00 9.30 N -ANISOU 1983 N GLY A 247 865 1580 1089 57 -355 40 N -ATOM 1984 CA GLY A 247 -9.226 -21.265 1.846 1.00 9.75 C -ANISOU 1984 CA GLY A 247 876 1658 1171 77 -299 -26 C -ATOM 1985 C GLY A 247 -9.956 -22.527 1.435 1.00 9.33 C -ANISOU 1985 C GLY A 247 831 1565 1150 160 -174 -36 C -ATOM 1986 O GLY A 247 -9.404 -23.419 0.788 1.00 10.97 O -ANISOU 1986 O GLY A 247 1167 1673 1329 190 -38 -158 O -ATOM 1987 N GLY A 248 -11.221 -22.586 1.818 1.00 9.16 N -ANISOU 1987 N GLY A 248 869 1605 1007 84 -158 -80 N -ATOM 1988 CA GLY A 248 -12.102 -23.673 1.421 1.00 9.16 C -ANISOU 1988 CA GLY A 248 1048 1507 926 -62 -246 -129 C -ATOM 1989 C GLY A 248 -13.143 -23.946 2.477 1.00 9.03 C -ANISOU 1989 C GLY A 248 1134 1436 861 2 -178 -209 C -ATOM 1990 O GLY A 248 -13.070 -23.374 3.557 1.00 10.03 O -ANISOU 1990 O GLY A 248 1319 1576 915 -208 -51 -204 O -ATOM 1991 N THR A 249 -14.105 -24.808 2.176 1.00 8.68 N -ANISOU 1991 N THR A 249 980 1544 773 43 -104 -159 N -ATOM 1992 CA THR A 249 -15.073 -25.249 3.173 1.00 8.62 C -ANISOU 1992 CA THR A 249 1056 1520 698 115 -149 -42 C -ATOM 1993 C THR A 249 -14.884 -26.748 3.358 1.00 8.51 C -ANISOU 1993 C THR A 249 985 1536 713 99 -176 -168 C -ATOM 1994 O THR A 249 -14.952 -27.510 2.401 1.00 9.56 O -ANISOU 1994 O THR A 249 1166 1696 772 139 -236 -238 O -ATOM 1995 CB THR A 249 -16.514 -24.892 2.798 1.00 8.91 C -ANISOU 1995 CB THR A 249 1063 1655 667 185 -237 -30 C -ATOM 1996 OG1 THR A 249 -16.614 -23.480 2.595 1.00 9.70 O -ANISOU 1996 OG1 THR A 249 1024 1870 790 187 -279 58 O -ATOM 1997 CG2 THR A 249 -17.464 -25.300 3.891 1.00 9.02 C -ANISOU 1997 CG2 THR A 249 991 1698 739 -12 -274 -100 C -ATOM 1998 N HIS A 250 -14.615 -27.150 4.595 1.00 8.02 N -ANISOU 1998 N HIS A 250 883 1420 745 30 -192 -238 N -ATOM 1999 CA HIS A 250 -14.191 -28.499 4.915 1.00 8.53 C -ANISOU 1999 CA HIS A 250 938 1461 843 124 -289 -218 C -ATOM 2000 C HIS A 250 -15.028 -28.960 6.100 1.00 8.61 C -ANISOU 2000 C HIS A 250 934 1528 810 112 -296 -192 C -ATOM 2001 O HIS A 250 -15.031 -28.317 7.155 1.00 9.22 O -ANISOU 2001 O HIS A 250 1047 1654 802 196 -248 -186 O -ATOM 2002 CB HIS A 250 -12.692 -28.470 5.234 1.00 8.81 C -ANISOU 2002 CB HIS A 250 912 1334 1101 34 -301 -232 C -ATOM 2003 CG HIS A 250 -12.092 -29.793 5.541 1.00 10.00 C -ANISOU 2003 CG HIS A 250 976 1478 1344 -26 -402 -379 C -ATOM 2004 ND1 HIS A 250 -12.143 -30.857 4.671 1.00 11.35 N -ANISOU 2004 ND1 HIS A 250 1077 1761 1476 134 -553 -512 N -ATOM 2005 CD2 HIS A 250 -11.361 -30.201 6.603 1.00 10.30 C -ANISOU 2005 CD2 HIS A 250 1027 1404 1482 27 -404 -286 C -ATOM 2006 CE1 HIS A 250 -11.481 -31.870 5.194 1.00 11.56 C -ANISOU 2006 CE1 HIS A 250 1241 1556 1595 273 -523 -434 C -ATOM 2007 NE2 HIS A 250 -11.004 -31.498 6.368 1.00 10.71 N -ANISOU 2007 NE2 HIS A 250 1063 1431 1574 179 -443 -251 N -ATOM 2008 N TYR A 251 -15.754 -30.056 5.904 1.00 8.96 N -ANISOU 2008 N TYR A 251 980 1568 857 156 -199 -102 N -ATOM 2009 CA TYR A 251 -16.755 -30.540 6.855 1.00 10.12 C -ANISOU 2009 CA TYR A 251 1179 1682 985 -61 -61 22 C -ATOM 2010 C TYR A 251 -17.655 -29.389 7.322 1.00 10.50 C -ANISOU 2010 C TYR A 251 1142 1839 1007 -88 78 69 C -ATOM 2011 O TYR A 251 -18.029 -29.277 8.499 1.00 11.79 O -ANISOU 2011 O TYR A 251 1342 2095 1042 55 213 83 O -ATOM 2012 CB TYR A 251 -16.120 -31.275 8.040 1.00 11.70 C -ANISOU 2012 CB TYR A 251 1536 1792 1117 110 -44 23 C -ATOM 2013 CG TYR A 251 -15.378 -32.562 7.681 1.00 12.56 C -ANISOU 2013 CG TYR A 251 1865 1594 1312 63 -90 -39 C -ATOM 2014 CD1 TYR A 251 -16.033 -33.778 7.521 1.00 13.97 C -ANISOU 2014 CD1 TYR A 251 1936 1942 1429 62 -16 66 C -ATOM 2015 CD2 TYR A 251 -14.005 -32.544 7.516 1.00 13.92 C -ANISOU 2015 CD2 TYR A 251 2002 1757 1529 207 -51 -65 C -ATOM 2016 CE1 TYR A 251 -15.312 -34.934 7.209 1.00 13.21 C -ANISOU 2016 CE1 TYR A 251 1721 1777 1519 -247 -27 9 C -ATOM 2017 CE2 TYR A 251 -13.288 -33.682 7.212 1.00 14.95 C -ANISOU 2017 CE2 TYR A 251 2013 1995 1673 143 -55 -89 C -ATOM 2018 CZ TYR A 251 -13.935 -34.862 7.067 1.00 14.03 C -ANISOU 2018 CZ TYR A 251 1744 1838 1747 -201 -37 -127 C -ATOM 2019 OH TYR A 251 -13.225 -36.010 6.761 1.00 15.26 O -ANISOU 2019 OH TYR A 251 1588 2202 2010 -227 -60 -187 O -ATOM 2020 N GLY A 252 -18.036 -28.553 6.360 1.00 10.09 N -ANISOU 2020 N GLY A 252 1033 1733 1069 -152 1 -33 N -ATOM 2021 CA GLY A 252 -18.971 -27.474 6.601 1.00 10.35 C -ANISOU 2021 CA GLY A 252 1006 1774 1154 -44 -18 -177 C -ATOM 2022 C GLY A 252 -18.391 -26.204 7.191 1.00 10.68 C -ANISOU 2022 C GLY A 252 1064 1799 1195 217 -29 -356 C -ATOM 2023 O GLY A 252 -19.110 -25.227 7.352 1.00 12.52 O -ANISOU 2023 O GLY A 252 1096 2076 1584 232 -85 -433 O -ATOM 2024 N VAL A 253 -17.101 -26.201 7.498 1.00 8.93 N -ANISOU 2024 N VAL A 253 969 1500 922 144 -78 -210 N -ATOM 2025 CA VAL A 253 -16.446 -25.055 8.127 1.00 9.32 C -ANISOU 2025 CA VAL A 253 1095 1643 803 322 -136 -188 C -ATOM 2026 C VAL A 253 -15.684 -24.279 7.061 1.00 8.78 C -ANISOU 2026 C VAL A 253 961 1580 795 235 -147 -206 C -ATOM 2027 O VAL A 253 -14.789 -24.822 6.404 1.00 8.93 O -ANISOU 2027 O VAL A 253 938 1631 825 155 -78 -248 O -ATOM 2028 CB VAL A 253 -15.477 -25.491 9.245 1.00 9.80 C -ANISOU 2028 CB VAL A 253 1304 1664 756 148 -142 -174 C -ATOM 2029 CG1 VAL A 253 -14.763 -24.280 9.852 1.00 9.70 C -ANISOU 2029 CG1 VAL A 253 1313 1688 685 194 -197 -156 C -ATOM 2030 CG2 VAL A 253 -16.214 -26.281 10.322 1.00 11.29 C -ANISOU 2030 CG2 VAL A 253 1531 1943 817 252 -131 -140 C -ATOM 2031 N SER A 254 -16.048 -23.017 6.868 1.00 8.90 N -ANISOU 2031 N SER A 254 962 1537 883 188 -9 -173 N -ATOM 2032 CA SER A 254 -15.441 -22.207 5.817 1.00 9.43 C -ANISOU 2032 CA SER A 254 1021 1542 1021 33 -62 -191 C -ATOM 2033 C SER A 254 -14.232 -21.444 6.338 1.00 10.43 C -ANISOU 2033 C SER A 254 1059 1784 1121 -6 -56 -453 C -ATOM 2034 O SER A 254 -14.274 -20.828 7.397 1.00 12.91 O -ANISOU 2034 O SER A 254 1332 2245 1330 -139 176 -683 O -ATOM 2035 CB SER A 254 -16.453 -21.205 5.251 1.00 10.02 C -ANISOU 2035 CB SER A 254 1158 1505 1143 64 -133 -92 C -ATOM 2036 OG SER A 254 -17.529 -21.856 4.601 1.00 10.86 O -ANISOU 2036 OG SER A 254 1289 1594 1242 58 -250 -46 O -ATOM 2037 N VAL A 255 -13.169 -21.438 5.554 1.00 9.48 N -ANISOU 2037 N VAL A 255 960 1549 1092 29 -75 -276 N -ATOM 2038 CA VAL A 255 -11.921 -20.761 5.891 1.00 9.30 C -ANISOU 2038 CA VAL A 255 834 1469 1232 20 -53 -267 C -ATOM 2039 C VAL A 255 -11.606 -19.759 4.801 1.00 10.01 C -ANISOU 2039 C VAL A 255 914 1416 1475 26 -151 -321 C -ATOM 2040 O VAL A 255 -11.635 -20.097 3.610 1.00 10.32 O -ANISOU 2040 O VAL A 255 1077 1448 1396 140 -216 -157 O -ATOM 2041 CB VAL A 255 -10.765 -21.779 5.986 1.00 9.06 C -ANISOU 2041 CB VAL A 255 917 1364 1163 23 -72 -156 C -ATOM 2042 CG1 VAL A 255 -9.468 -21.085 6.442 1.00 10.18 C -ANISOU 2042 CG1 VAL A 255 970 1655 1243 134 -125 -229 C -ATOM 2043 CG2 VAL A 255 -11.145 -22.921 6.916 1.00 9.94 C -ANISOU 2043 CG2 VAL A 255 1197 1453 1126 226 23 -123 C -ATOM 2044 N VAL A 256 -11.334 -18.524 5.191 1.00 11.06 N -ANISOU 2044 N VAL A 256 963 1501 1740 70 -101 -109 N -ATOM 2045 CA VAL A 256 -10.911 -17.508 4.243 1.00 12.04 C -ANISOU 2045 CA VAL A 256 1066 1523 1985 192 -28 59 C -ATOM 2046 C VAL A 256 -9.388 -17.597 4.061 1.00 11.40 C -ANISOU 2046 C VAL A 256 972 1555 1804 179 -189 37 C -ATOM 2047 O VAL A 256 -8.629 -17.436 5.010 1.00 11.12 O -ANISOU 2047 O VAL A 256 962 1570 1694 61 -221 -85 O -ATOM 2048 CB VAL A 256 -11.303 -16.124 4.769 1.00 14.33 C -ANISOU 2048 CB VAL A 256 1259 1800 2387 295 196 124 C -ATOM 2049 CG1 VAL A 256 -10.708 -15.029 3.908 1.00 15.62 C -ANISOU 2049 CG1 VAL A 256 1475 1916 2542 446 284 245 C -ATOM 2050 CG2 VAL A 256 -12.832 -15.995 4.838 1.00 15.40 C -ANISOU 2050 CG2 VAL A 256 1312 2005 2535 394 185 57 C -ATOM 2051 N GLY A 257 -8.931 -17.893 2.848 1.00 10.88 N -ANISOU 2051 N GLY A 257 914 1520 1699 110 -268 139 N -ATOM 2052 CA GLY A 257 -7.509 -18.015 2.581 1.00 10.63 C -ANISOU 2052 CA GLY A 257 958 1460 1622 95 -292 225 C -ATOM 2053 C GLY A 257 -6.778 -16.694 2.681 1.00 10.50 C -ANISOU 2053 C GLY A 257 1070 1380 1538 196 -305 321 C -ATOM 2054 O GLY A 257 -7.316 -15.643 2.300 1.00 11.92 O -ANISOU 2054 O GLY A 257 1313 1526 1692 310 -422 460 O -ATOM 2055 N ILE A 258 -5.549 -16.748 3.191 1.00 9.21 N -ANISOU 2055 N ILE A 258 935 1210 1353 250 -134 192 N -ATOM 2056 CA ILE A 258 -4.705 -15.562 3.337 1.00 9.16 C -ANISOU 2056 CA ILE A 258 1009 1197 1275 100 -171 42 C -ATOM 2057 C ILE A 258 -3.421 -15.624 2.516 1.00 9.02 C -ANISOU 2057 C ILE A 258 1132 1125 1170 122 -155 26 C -ATOM 2058 O ILE A 258 -2.653 -14.660 2.512 1.00 9.34 O -ANISOU 2058 O ILE A 258 1207 1152 1190 165 -82 -17 O -ATOM 2059 CB ILE A 258 -4.374 -15.265 4.816 1.00 9.24 C -ANISOU 2059 CB ILE A 258 1071 1132 1308 90 -150 -19 C -ATOM 2060 CG1 ILE A 258 -3.538 -16.392 5.430 1.00 9.25 C -ANISOU 2060 CG1 ILE A 258 1173 1105 1236 105 -304 -93 C -ATOM 2061 CG2 ILE A 258 -5.665 -15.049 5.613 1.00 10.43 C -ANISOU 2061 CG2 ILE A 258 1214 1341 1408 262 -1 -30 C -ATOM 2062 CD1 ILE A 258 -3.133 -16.162 6.874 1.00 9.79 C -ANISOU 2062 CD1 ILE A 258 1276 1238 1207 79 -237 -21 C -ATOM 2063 N GLY A 259 -3.207 -16.731 1.807 1.00 9.02 N -ANISOU 2063 N GLY A 259 1010 1271 1147 134 -94 141 N -ATOM 2064 CA GLY A 259 -2.089 -16.868 0.890 1.00 9.02 C -ANISOU 2064 CA GLY A 259 1072 1281 1073 223 -91 117 C -ATOM 2065 C GLY A 259 -0.858 -17.513 1.511 1.00 8.64 C -ANISOU 2065 C GLY A 259 1108 1219 957 210 -151 105 C -ATOM 2066 O GLY A 259 -0.687 -17.594 2.742 1.00 8.74 O -ANISOU 2066 O GLY A 259 1150 1176 995 118 -3 94 O -ATOM 2067 N ARG A 260 0.029 -17.950 0.626 1.00 8.99 N -ANISOU 2067 N ARG A 260 1121 1354 940 236 -150 181 N -ATOM 2068 CA ARG A 260 1.192 -18.749 1.005 1.00 9.30 C -ANISOU 2068 CA ARG A 260 1171 1301 1062 311 -169 17 C -ATOM 2069 C ARG A 260 2.206 -17.983 1.837 1.00 8.14 C -ANISOU 2069 C ARG A 260 1059 1136 898 194 -45 137 C -ATOM 2070 O ARG A 260 2.790 -18.544 2.766 1.00 8.50 O -ANISOU 2070 O ARG A 260 1107 1294 828 297 -92 160 O -ATOM 2071 CB ARG A 260 1.914 -19.269 -0.251 1.00 12.32 C -ANISOU 2071 CB ARG A 260 1508 1750 1424 621 -249 -203 C -ATOM 2072 CG ARG A 260 1.198 -20.332 -0.990 1.00 15.32 C -ANISOU 2072 CG ARG A 260 2010 2055 1756 568 -185 -199 C -ATOM 2073 CD ARG A 260 1.929 -20.755 -2.269 1.00 18.63 C -ANISOU 2073 CD ARG A 260 2616 2426 2038 943 -127 -394 C -ATOM 2074 NE ARG A 260 2.383 -19.658 -3.143 1.00 21.61 N -ANISOU 2074 NE ARG A 260 3151 2797 2263 1414 -274 -565 N -ATOM 2075 CZ ARG A 260 1.729 -19.189 -4.200 1.00 24.47 C -ANISOU 2075 CZ ARG A 260 3513 3260 2525 1358 -338 -520 C -ATOM 2076 NH1 ARG A 260 0.542 -19.662 -4.517 1.00 24.32 N -ANISOU 2076 NH1 ARG A 260 3317 3377 2546 1239 -418 -660 N -ATOM 2077 NH2 ARG A 260 2.261 -18.215 -4.934 1.00 25.73 N -ANISOU 2077 NH2 ARG A 260 3701 3438 2636 1317 -428 -337 N -ATOM 2078 N ASP A 261 2.455 -16.728 1.492 1.00 8.57 N -ANISOU 2078 N ASP A 261 1145 1199 912 167 13 212 N -ATOM 2079 CA ASP A 261 3.479 -15.971 2.182 1.00 8.63 C -ANISOU 2079 CA ASP A 261 1106 1201 972 74 57 242 C -ATOM 2080 C ASP A 261 3.113 -15.822 3.654 1.00 7.65 C -ANISOU 2080 C ASP A 261 901 1156 849 112 -58 128 C -ATOM 2081 O ASP A 261 3.955 -15.987 4.523 1.00 7.67 O -ANISOU 2081 O ASP A 261 852 1238 824 60 -134 85 O -ATOM 2082 CB ASP A 261 3.709 -14.604 1.528 1.00 10.56 C -ANISOU 2082 CB ASP A 261 1366 1432 1215 7 88 397 C -ATOM 2083 CG ASP A 261 4.271 -14.700 0.118 1.00 13.94 C -ANISOU 2083 CG ASP A 261 1880 1850 1568 341 209 551 C -ATOM 2084 OD1 ASP A 261 4.670 -15.799 -0.317 1.00 14.83 O -ANISOU 2084 OD1 ASP A 261 1972 1993 1670 420 289 581 O -ATOM 2085 OD2 ASP A 261 4.315 -13.642 -0.554 1.00 17.10 O -ANISOU 2085 OD2 ASP A 261 2400 2355 1741 559 304 679 O -ATOM 2086 N LYS A 262 1.853 -15.503 3.939 1.00 7.84 N -ANISOU 2086 N LYS A 262 974 1147 857 173 -33 83 N -ATOM 2087 CA LYS A 262 1.428 -15.336 5.314 1.00 8.01 C -ANISOU 2087 CA LYS A 262 1007 1153 884 157 -113 25 C -ATOM 2088 C LYS A 262 1.376 -16.676 6.048 1.00 7.86 C -ANISOU 2088 C LYS A 262 1040 1115 832 124 -108 -60 C -ATOM 2089 O LYS A 262 1.756 -16.754 7.209 1.00 7.94 O -ANISOU 2089 O LYS A 262 1041 1157 820 142 -49 -39 O -ATOM 2090 CB LYS A 262 0.078 -14.618 5.371 1.00 9.04 C -ANISOU 2090 CB LYS A 262 1148 1223 1065 148 -142 53 C -ATOM 2091 CG LYS A 262 0.190 -13.164 4.902 1.00 9.82 C -ANISOU 2091 CG LYS A 262 1368 1163 1202 262 -76 62 C -ATOM 2092 CD LYS A 262 -1.150 -12.449 4.853 1.00 11.15 C -ANISOU 2092 CD LYS A 262 1656 1240 1341 448 -33 35 C -ATOM 2093 CE LYS A 262 -1.012 -10.998 4.474 1.00 12.34 C -ANISOU 2093 CE LYS A 262 1872 1322 1493 476 -32 88 C -ATOM 2094 NZ LYS A 262 -2.347 -10.380 4.394 1.00 14.10 N -ANISOU 2094 NZ LYS A 262 2163 1577 1615 658 -79 83 N -ATOM 2095 N LEU A 263 0.972 -17.746 5.364 1.00 7.64 N -ANISOU 2095 N LEU A 263 1076 1015 811 153 -90 -67 N -ATOM 2096 CA LEU A 263 1.078 -19.080 5.953 1.00 7.02 C -ANISOU 2096 CA LEU A 263 933 1007 728 83 -30 -58 C -ATOM 2097 C LEU A 263 2.513 -19.334 6.409 1.00 6.71 C -ANISOU 2097 C LEU A 263 928 1000 622 13 -92 -41 C -ATOM 2098 O LEU A 263 2.758 -19.747 7.532 1.00 6.83 O -ANISOU 2098 O LEU A 263 943 1075 576 -31 -146 3 O -ATOM 2099 CB LEU A 263 0.679 -20.160 4.948 1.00 7.29 C -ANISOU 2099 CB LEU A 263 926 1101 742 -22 -60 -16 C -ATOM 2100 CG LEU A 263 0.951 -21.587 5.429 1.00 7.52 C -ANISOU 2100 CG LEU A 263 869 1213 775 -108 -45 -73 C -ATOM 2101 CD1 LEU A 263 0.022 -21.982 6.570 1.00 9.03 C -ANISOU 2101 CD1 LEU A 263 1146 1359 927 -20 115 -52 C -ATOM 2102 CD2 LEU A 263 0.839 -22.575 4.297 1.00 7.87 C -ANISOU 2102 CD2 LEU A 263 905 1290 796 -24 -104 -121 C -ATOM 2103 N GLY A 264 3.468 -19.086 5.531 1.00 6.69 N -ANISOU 2103 N GLY A 264 997 990 557 46 -88 19 N -ATOM 2104 CA GLY A 264 4.858 -19.316 5.862 1.00 7.13 C -ANISOU 2104 CA GLY A 264 1007 1094 608 112 -72 -63 C -ATOM 2105 C GLY A 264 5.346 -18.474 7.018 1.00 7.02 C -ANISOU 2105 C GLY A 264 961 1098 607 119 -61 33 C -ATOM 2106 O GLY A 264 6.093 -18.948 7.869 1.00 6.99 O -ANISOU 2106 O GLY A 264 985 1079 591 109 21 60 O -ATOM 2107 N LYS A 265 4.940 -17.206 7.063 1.00 7.00 N -ANISOU 2107 N LYS A 265 892 1120 647 117 -96 -47 N -ATOM 2108 CA LYS A 265 5.365 -16.348 8.159 1.00 7.89 C -ANISOU 2108 CA LYS A 265 984 1113 900 10 -56 -209 C -ATOM 2109 C LYS A 265 4.803 -16.852 9.479 1.00 7.29 C -ANISOU 2109 C LYS A 265 895 1046 830 8 -60 -233 C -ATOM 2110 O LYS A 265 5.495 -16.879 10.493 1.00 7.42 O -ANISOU 2110 O LYS A 265 899 1097 823 26 -131 -228 O -ATOM 2111 CB LYS A 265 4.905 -14.914 7.916 1.00 10.27 C -ANISOU 2111 CB LYS A 265 1419 1216 1266 18 -62 -70 C -ATOM 2112 CG LYS A 265 5.718 -14.152 6.885 1.00 13.66 C -ANISOU 2112 CG LYS A 265 1911 1613 1665 263 -69 207 C -ATOM 2113 CD LYS A 265 6.974 -13.605 7.554 1.00 18.08 C -ANISOU 2113 CD LYS A 265 2318 2481 2071 299 -45 474 C -ATOM 2114 CE LYS A 265 8.030 -13.109 6.605 1.00 21.08 C -ANISOU 2114 CE LYS A 265 2798 2882 2327 262 -177 452 C -ATOM 2115 NZ LYS A 265 9.205 -12.623 7.432 1.00 20.77 N -ANISOU 2115 NZ LYS A 265 2811 2653 2429 -17 -371 440 N -ATOM 2116 N ILE A 266 3.534 -17.239 9.471 1.00 7.42 N -ANISOU 2116 N ILE A 266 981 1076 762 -54 -13 -61 N -ATOM 2117 CA ILE A 266 2.877 -17.699 10.681 1.00 7.31 C -ANISOU 2117 CA ILE A 266 901 1138 739 -26 -45 -30 C -ATOM 2118 C ILE A 266 3.527 -18.982 11.200 1.00 7.05 C -ANISOU 2118 C ILE A 266 834 1187 660 7 -84 -131 C -ATOM 2119 O ILE A 266 3.863 -19.094 12.383 1.00 7.22 O -ANISOU 2119 O ILE A 266 872 1186 685 82 -91 -197 O -ATOM 2120 CB ILE A 266 1.386 -17.896 10.430 1.00 7.95 C -ANISOU 2120 CB ILE A 266 894 1279 849 55 -76 -28 C -ATOM 2121 CG1 ILE A 266 0.716 -16.533 10.251 1.00 8.76 C -ANISOU 2121 CG1 ILE A 266 1017 1304 1008 162 -123 -137 C -ATOM 2122 CG2 ILE A 266 0.748 -18.647 11.582 1.00 8.71 C -ANISOU 2122 CG2 ILE A 266 953 1560 798 193 -106 6 C -ATOM 2123 CD1 ILE A 266 -0.640 -16.613 9.635 1.00 9.40 C -ANISOU 2123 CD1 ILE A 266 1085 1369 1118 264 -176 -70 C -ATOM 2124 N PHE A 267 3.727 -19.950 10.312 1.00 7.22 N -ANISOU 2124 N PHE A 267 976 1110 656 98 -76 -110 N -ATOM 2125 CA PHE A 267 4.295 -21.213 10.732 1.00 6.91 C -ANISOU 2125 CA PHE A 267 1020 976 631 19 -97 -64 C -ATOM 2126 C PHE A 267 5.778 -21.117 11.061 1.00 6.34 C -ANISOU 2126 C PHE A 267 960 895 556 6 -77 -73 C -ATOM 2127 O PHE A 267 6.248 -21.807 11.957 1.00 6.69 O -ANISOU 2127 O PHE A 267 1094 952 497 135 -135 -128 O -ATOM 2128 CB PHE A 267 3.993 -22.331 9.723 1.00 7.58 C -ANISOU 2128 CB PHE A 267 1035 1099 748 -30 -216 -14 C -ATOM 2129 CG PHE A 267 2.658 -22.994 9.964 1.00 8.90 C -ANISOU 2129 CG PHE A 267 1173 1244 963 -117 -165 52 C -ATOM 2130 CD1 PHE A 267 1.490 -22.307 9.731 1.00 9.91 C -ANISOU 2130 CD1 PHE A 267 1156 1404 1207 -380 -197 245 C -ATOM 2131 CD2 PHE A 267 2.583 -24.271 10.476 1.00 10.11 C -ANISOU 2131 CD2 PHE A 267 1421 1382 1040 -147 -58 90 C -ATOM 2132 CE1 PHE A 267 0.261 -22.896 9.978 1.00 11.29 C -ANISOU 2132 CE1 PHE A 267 1234 1753 1304 -349 -235 276 C -ATOM 2133 CE2 PHE A 267 1.350 -24.873 10.713 1.00 10.61 C -ANISOU 2133 CE2 PHE A 267 1569 1330 1133 -197 8 260 C -ATOM 2134 CZ PHE A 267 0.195 -24.184 10.465 1.00 11.20 C -ANISOU 2134 CZ PHE A 267 1440 1616 1198 -348 -70 262 C -ATOM 2135 N TYR A 268 6.524 -20.251 10.377 1.00 6.31 N -ANISOU 2135 N TYR A 268 968 978 452 69 -50 -40 N -ATOM 2136 CA TYR A 268 7.935 -20.079 10.704 1.00 6.47 C -ANISOU 2136 CA TYR A 268 940 974 543 72 -48 -107 C -ATOM 2137 C TYR A 268 8.048 -19.487 12.104 1.00 6.41 C -ANISOU 2137 C TYR A 268 913 970 555 55 -107 -104 C -ATOM 2138 O TYR A 268 8.873 -19.914 12.909 1.00 6.43 O -ANISOU 2138 O TYR A 268 890 1032 523 -31 -138 -72 O -ATOM 2139 CB TYR A 268 8.671 -19.196 9.692 1.00 6.61 C -ANISOU 2139 CB TYR A 268 990 1031 492 104 -49 -86 C -ATOM 2140 CG TYR A 268 10.142 -19.075 10.040 1.00 6.69 C -ANISOU 2140 CG TYR A 268 948 1046 549 66 30 -66 C -ATOM 2141 CD1 TYR A 268 11.034 -20.076 9.709 1.00 6.96 C -ANISOU 2141 CD1 TYR A 268 886 1191 568 23 -46 -167 C -ATOM 2142 CD2 TYR A 268 10.620 -17.993 10.749 1.00 7.09 C -ANISOU 2142 CD2 TYR A 268 947 1141 605 32 34 -97 C -ATOM 2143 CE1 TYR A 268 12.362 -19.995 10.055 1.00 6.99 C -ANISOU 2143 CE1 TYR A 268 893 1167 597 75 -19 -138 C -ATOM 2144 CE2 TYR A 268 11.953 -17.906 11.106 1.00 7.05 C -ANISOU 2144 CE2 TYR A 268 920 1133 627 -100 36 -96 C -ATOM 2145 CZ TYR A 268 12.823 -18.922 10.763 1.00 7.17 C -ANISOU 2145 CZ TYR A 268 920 1229 574 -14 -6 -154 C -ATOM 2146 OH TYR A 268 14.154 -18.862 11.110 1.00 7.85 O -ANISOU 2146 OH TYR A 268 929 1415 637 -46 47 -74 O -ATOM 2147 N ARG A 269 7.222 -18.494 12.414 1.00 6.66 N -ANISOU 2147 N ARG A 269 1050 882 598 74 -159 -251 N -ATOM 2148 CA ARG A 269 7.238 -17.913 13.743 1.00 7.07 C -ANISOU 2148 CA ARG A 269 1103 945 639 -12 -52 -264 C -ATOM 2149 C ARG A 269 6.823 -18.932 14.798 1.00 7.07 C -ANISOU 2149 C ARG A 269 1004 1057 627 -50 -77 -208 C -ATOM 2150 O ARG A 269 7.421 -19.022 15.857 1.00 7.50 O -ANISOU 2150 O ARG A 269 1027 1221 604 76 -115 -175 O -ATOM 2151 CB ARG A 269 6.367 -16.662 13.791 1.00 7.90 C -ANISOU 2151 CB ARG A 269 1291 963 746 11 93 -338 C -ATOM 2152 CG ARG A 269 6.446 -15.954 15.120 1.00 9.13 C -ANISOU 2152 CG ARG A 269 1520 1023 927 109 201 -446 C -ATOM 2153 CD ARG A 269 5.813 -14.570 15.048 1.00 10.63 C -ANISOU 2153 CD ARG A 269 1700 1177 1163 43 200 -635 C -ATOM 2154 NE ARG A 269 6.020 -13.818 16.278 1.00 12.96 N -ANISOU 2154 NE ARG A 269 1886 1601 1437 -27 247 -868 N -ATOM 2155 CZ ARG A 269 7.108 -13.119 16.552 1.00 16.35 C -ANISOU 2155 CZ ARG A 269 2141 2414 1656 -374 379 -1102 C -ATOM 2156 NH1 ARG A 269 8.098 -13.052 15.672 1.00 18.19 N -ANISOU 2156 NH1 ARG A 269 2262 2853 1797 -718 290 -1192 N -ATOM 2157 NH2 ARG A 269 7.194 -12.480 17.707 1.00 18.53 N -ANISOU 2157 NH2 ARG A 269 2409 2846 1783 -355 390 -1225 N -ATOM 2158 N ALA A 270 5.802 -19.720 14.512 1.00 7.19 N -ANISOU 2158 N ALA A 270 1042 1087 601 -1 -96 -189 N -ATOM 2159 CA ALA A 270 5.364 -20.736 15.466 1.00 7.37 C -ANISOU 2159 CA ALA A 270 1111 1126 565 37 -36 -161 C -ATOM 2160 C ALA A 270 6.512 -21.707 15.751 1.00 7.12 C -ANISOU 2160 C ALA A 270 1053 1180 473 -72 -144 -239 C -ATOM 2161 O ALA A 270 6.809 -22.040 16.901 1.00 7.54 O -ANISOU 2161 O ALA A 270 1178 1190 496 -52 -61 -130 O -ATOM 2162 CB ALA A 270 4.148 -21.478 14.954 1.00 7.62 C -ANISOU 2162 CB ALA A 270 1193 1041 660 1 -40 -162 C -ATOM 2163 N LEU A 271 7.159 -22.161 14.686 1.00 6.50 N -ANISOU 2163 N LEU A 271 979 1058 432 -93 -114 -137 N -ATOM 2164 CA LEU A 271 8.232 -23.142 14.788 1.00 6.74 C -ANISOU 2164 CA LEU A 271 1065 1053 443 31 -72 -132 C -ATOM 2165 C LEU A 271 9.397 -22.633 15.613 1.00 7.20 C -ANISOU 2165 C LEU A 271 1021 1163 552 15 -134 39 C -ATOM 2166 O LEU A 271 10.003 -23.385 16.374 1.00 7.71 O -ANISOU 2166 O LEU A 271 1230 1159 542 58 -279 -3 O -ATOM 2167 CB LEU A 271 8.726 -23.490 13.382 1.00 6.77 C -ANISOU 2167 CB LEU A 271 993 1118 460 -32 -120 -109 C -ATOM 2168 CG LEU A 271 9.812 -24.557 13.314 1.00 7.17 C -ANISOU 2168 CG LEU A 271 1091 1071 564 -15 -144 -111 C -ATOM 2169 CD1 LEU A 271 9.277 -25.897 13.752 1.00 7.87 C -ANISOU 2169 CD1 LEU A 271 1256 1174 562 191 -67 -47 C -ATOM 2170 CD2 LEU A 271 10.351 -24.611 11.895 1.00 7.74 C -ANISOU 2170 CD2 LEU A 271 1171 1125 645 -27 -79 -102 C -ATOM 2171 N THR A 272 9.723 -21.351 15.447 1.00 6.73 N -ANISOU 2171 N THR A 272 927 991 640 -114 -199 -18 N -ATOM 2172 CA THR A 272 10.943 -20.813 16.017 1.00 7.51 C -ANISOU 2172 CA THR A 272 1054 1093 707 -162 -128 -17 C -ATOM 2173 C THR A 272 10.759 -20.075 17.323 1.00 8.25 C -ANISOU 2173 C THR A 272 1132 1325 677 -59 -219 -155 C -ATOM 2174 O THR A 272 11.738 -19.880 18.037 1.00 8.88 O -ANISOU 2174 O THR A 272 1134 1535 705 -167 -198 -149 O -ATOM 2175 CB THR A 272 11.687 -19.907 15.025 1.00 8.59 C -ANISOU 2175 CB THR A 272 1178 1237 849 -33 -109 27 C -ATOM 2176 OG1 THR A 272 10.836 -18.833 14.612 1.00 8.36 O -ANISOU 2176 OG1 THR A 272 1164 1053 958 -89 -137 45 O -ATOM 2177 CG2 THR A 272 12.146 -20.688 13.819 1.00 9.76 C -ANISOU 2177 CG2 THR A 272 1258 1595 853 301 50 108 C -ATOM 2178 N GLN A 273 9.533 -19.688 17.660 1.00 8.71 N -ANISOU 2178 N GLN A 273 1253 1338 717 -177 -175 -304 N -ATOM 2179 CA AGLN A 273 9.267 -18.894 18.864 0.54 9.35 C -ANISOU 2179 CA AGLN A 273 1379 1378 795 -321 -222 -370 C -ATOM 2180 CA BGLN A 273 9.312 -18.936 18.892 0.46 9.25 C -ANISOU 2180 CA BGLN A 273 1381 1293 840 -290 -196 -363 C -ATOM 2181 C GLN A 273 8.343 -19.565 19.877 1.00 9.67 C -ANISOU 2181 C GLN A 273 1455 1465 754 -316 -163 -368 C -ATOM 2182 O GLN A 273 8.350 -19.193 21.038 1.00 12.10 O -ANISOU 2182 O GLN A 273 1842 1907 849 -330 -64 -443 O -ATOM 2183 CB AGLN A 273 8.650 -17.546 18.481 0.54 11.17 C -ANISOU 2183 CB AGLN A 273 1650 1642 951 -260 -226 -274 C -ATOM 2184 CB BGLN A 273 8.876 -17.511 18.562 0.46 10.55 C -ANISOU 2184 CB BGLN A 273 1613 1317 1078 -231 -168 -288 C -ATOM 2185 CG AGLN A 273 9.526 -16.693 17.600 0.54 13.56 C -ANISOU 2185 CG AGLN A 273 2010 2006 1136 -177 -248 -231 C -ATOM 2186 CG BGLN A 273 9.974 -16.753 17.880 0.46 12.18 C -ANISOU 2186 CG BGLN A 273 1882 1412 1333 -179 -188 -305 C -ATOM 2187 CD AGLN A 273 10.745 -16.151 18.313 0.54 15.68 C -ANISOU 2187 CD AGLN A 273 2279 2403 1275 -146 -243 -207 C -ATOM 2188 CD BGLN A 273 9.639 -15.301 17.675 0.46 14.44 C -ANISOU 2188 CD BGLN A 273 2259 1666 1560 149 -124 -310 C -ATOM 2189 OE1AGLN A 273 11.765 -15.893 17.679 0.54 16.82 O -ANISOU 2189 OE1AGLN A 273 2341 2722 1329 -216 -161 -152 O -ATOM 2190 OE1BGLN A 273 9.018 -14.658 18.522 0.46 16.04 O -ANISOU 2190 OE1BGLN A 273 2491 1919 1684 224 -32 -214 O -ATOM 2191 NE2AGLN A 273 10.646 -15.967 19.627 0.54 15.83 N -ANISOU 2191 NE2AGLN A 273 2356 2345 1316 -190 -299 -222 N -ATOM 2192 NE2BGLN A 273 10.039 -14.777 16.533 0.46 15.00 N -ANISOU 2192 NE2BGLN A 273 2362 1685 1652 272 -168 -300 N -ATOM 2193 N TYR A 274 7.524 -20.523 19.444 1.00 8.44 N -ANISOU 2193 N TYR A 274 1286 1293 629 -148 -16 -287 N -ATOM 2194 CA TYR A 274 6.494 -21.049 20.339 1.00 8.95 C -ANISOU 2194 CA TYR A 274 1354 1423 625 43 85 -173 C -ATOM 2195 C TYR A 274 6.461 -22.566 20.535 1.00 8.72 C -ANISOU 2195 C TYR A 274 1367 1374 571 138 88 -116 C -ATOM 2196 O TYR A 274 6.236 -23.050 21.640 1.00 9.92 O -ANISOU 2196 O TYR A 274 1678 1467 623 73 44 -51 O -ATOM 2197 CB TYR A 274 5.116 -20.529 19.904 1.00 9.54 C -ANISOU 2197 CB TYR A 274 1442 1395 789 -11 199 -199 C -ATOM 2198 CG TYR A 274 4.981 -19.028 20.044 1.00 10.05 C -ANISOU 2198 CG TYR A 274 1676 1273 870 -16 171 -336 C -ATOM 2199 CD1 TYR A 274 4.938 -18.441 21.291 1.00 12.36 C -ANISOU 2199 CD1 TYR A 274 2251 1435 1012 418 261 -230 C -ATOM 2200 CD2 TYR A 274 4.911 -18.202 18.938 1.00 10.23 C -ANISOU 2200 CD2 TYR A 274 1703 1299 886 -31 115 -419 C -ATOM 2201 CE1 TYR A 274 4.819 -17.073 21.441 1.00 13.80 C -ANISOU 2201 CE1 TYR A 274 2546 1597 1101 627 166 -261 C -ATOM 2202 CE2 TYR A 274 4.779 -16.824 19.075 1.00 11.49 C -ANISOU 2202 CE2 TYR A 274 1976 1405 983 111 75 -378 C -ATOM 2203 CZ TYR A 274 4.743 -16.276 20.334 1.00 12.88 C -ANISOU 2203 CZ TYR A 274 2395 1414 1083 397 64 -364 C -ATOM 2204 OH TYR A 274 4.630 -14.921 20.535 1.00 14.35 O -ANISOU 2204 OH TYR A 274 2738 1478 1234 632 39 -480 O -ATOM 2205 N LEU A 275 6.699 -23.332 19.483 1.00 7.96 N -ANISOU 2205 N LEU A 275 1212 1272 542 3 106 -93 N -ATOM 2206 CA LEU A 275 6.660 -24.787 19.607 1.00 7.91 C -ANISOU 2206 CA LEU A 275 1092 1259 654 -15 107 69 C -ATOM 2207 C LEU A 275 7.833 -25.307 20.430 1.00 8.08 C -ANISOU 2207 C LEU A 275 1155 1202 714 -106 25 -3 C -ATOM 2208 O LEU A 275 8.893 -24.699 20.482 1.00 8.64 O -ANISOU 2208 O LEU A 275 1176 1260 845 -135 96 3 O -ATOM 2209 CB LEU A 275 6.642 -25.448 18.234 1.00 8.09 C -ANISOU 2209 CB LEU A 275 1161 1211 703 -75 7 -41 C -ATOM 2210 CG LEU A 275 5.394 -25.178 17.394 1.00 8.28 C -ANISOU 2210 CG LEU A 275 1148 1319 678 -15 62 19 C -ATOM 2211 CD1 LEU A 275 5.546 -25.811 16.018 1.00 8.36 C -ANISOU 2211 CD1 LEU A 275 1058 1437 682 -173 54 -185 C -ATOM 2212 CD2 LEU A 275 4.129 -25.674 18.107 1.00 10.32 C -ANISOU 2212 CD2 LEU A 275 1331 1833 759 111 46 11 C -ATOM 2213 N THR A 276 7.603 -26.428 21.092 1.00 7.90 N -ANISOU 2213 N THR A 276 1210 1137 655 -90 -76 78 N -ATOM 2214 CA THR A 276 8.623 -27.063 21.920 1.00 8.12 C -ANISOU 2214 CA THR A 276 1282 1158 644 -84 -130 -20 C -ATOM 2215 C THR A 276 8.706 -28.536 21.531 1.00 7.57 C -ANISOU 2215 C THR A 276 1200 1129 546 -85 -129 39 C -ATOM 2216 O THR A 276 7.937 -29.004 20.697 1.00 7.96 O -ANISOU 2216 O THR A 276 1137 1304 583 32 -258 -96 O -ATOM 2217 CB THR A 276 8.289 -26.959 23.410 1.00 9.29 C -ANISOU 2217 CB THR A 276 1504 1220 807 -137 -51 -7 C -ATOM 2218 OG1 THR A 276 7.240 -27.876 23.699 1.00 11.32 O -ANISOU 2218 OG1 THR A 276 1865 1573 861 -129 54 162 O -ATOM 2219 CG2 THR A 276 7.883 -25.539 23.810 1.00 10.39 C -ANISOU 2219 CG2 THR A 276 1629 1407 910 124 -10 -81 C -ATOM 2220 N PRO A 277 9.632 -29.286 22.139 1.00 6.94 N -ANISOU 2220 N PRO A 277 1105 1047 487 -66 -164 -41 N -ATOM 2221 CA PRO A 277 9.788 -30.672 21.678 1.00 7.53 C -ANISOU 2221 CA PRO A 277 1270 1122 470 -30 -202 -118 C -ATOM 2222 C PRO A 277 8.530 -31.515 21.859 1.00 7.60 C -ANISOU 2222 C PRO A 277 1280 1145 463 1 -173 -44 C -ATOM 2223 O PRO A 277 8.331 -32.468 21.121 1.00 8.13 O -ANISOU 2223 O PRO A 277 1416 1147 527 -68 -168 -119 O -ATOM 2224 CB PRO A 277 10.947 -31.187 22.538 1.00 7.85 C -ANISOU 2224 CB PRO A 277 1290 1202 491 -70 -238 -141 C -ATOM 2225 CG PRO A 277 11.789 -29.952 22.776 1.00 7.99 C -ANISOU 2225 CG PRO A 277 1365 1146 526 103 -228 -62 C -ATOM 2226 CD PRO A 277 10.775 -28.853 22.973 1.00 7.47 C -ANISOU 2226 CD PRO A 277 1186 1082 572 -102 -237 -118 C -ATOM 2227 N THR A 278 7.696 -31.168 22.829 1.00 7.66 N -ANISOU 2227 N THR A 278 1193 1226 491 -90 -172 -17 N -ATOM 2228 CA THR A 278 6.539 -31.989 23.164 1.00 9.71 C -ANISOU 2228 CA THR A 278 1433 1610 645 -19 -161 236 C -ATOM 2229 C THR A 278 5.214 -31.386 22.709 1.00 8.70 C -ANISOU 2229 C THR A 278 1245 1458 603 -45 50 233 C -ATOM 2230 O THR A 278 4.158 -31.894 23.089 1.00 9.50 O -ANISOU 2230 O THR A 278 1277 1631 700 -98 171 391 O -ATOM 2231 CB THR A 278 6.458 -32.248 24.698 1.00 13.07 C -ANISOU 2231 CB THR A 278 1794 2304 867 130 -239 366 C -ATOM 2232 OG1 THR A 278 6.330 -30.995 25.386 1.00 15.63 O -ANISOU 2232 OG1 THR A 278 2025 2979 934 210 -75 254 O -ATOM 2233 CG2 THR A 278 7.697 -32.982 25.201 1.00 14.28 C -ANISOU 2233 CG2 THR A 278 1903 2528 996 258 -326 466 C -ATOM 2234 N SER A 279 5.233 -30.334 21.902 1.00 7.97 N -ANISOU 2234 N SER A 279 1066 1377 585 3 -14 -32 N -ATOM 2235 CA SER A 279 3.970 -29.743 21.468 1.00 7.62 C -ANISOU 2235 CA SER A 279 1004 1292 599 -90 2 -107 C -ATOM 2236 C SER A 279 3.028 -30.744 20.822 1.00 7.96 C -ANISOU 2236 C SER A 279 1057 1326 641 -25 -3 -120 C -ATOM 2237 O SER A 279 3.437 -31.526 19.971 1.00 8.62 O -ANISOU 2237 O SER A 279 1149 1333 793 18 -60 -146 O -ATOM 2238 CB SER A 279 4.199 -28.622 20.454 1.00 7.78 C -ANISOU 2238 CB SER A 279 1115 1262 579 2 46 -22 C -ATOM 2239 OG SER A 279 4.948 -27.542 20.982 1.00 8.80 O -ANISOU 2239 OG SER A 279 1232 1443 669 -36 10 39 O -ATOM 2240 N ASN A 280 1.758 -30.678 21.213 1.00 8.11 N -ANISOU 2240 N ASN A 280 1151 1302 629 -65 116 -180 N -ATOM 2241 CA ASN A 280 0.715 -31.434 20.551 1.00 8.08 C -ANISOU 2241 CA ASN A 280 1150 1245 677 -45 90 -109 C -ATOM 2242 C ASN A 280 -0.104 -30.542 19.618 1.00 7.66 C -ANISOU 2242 C ASN A 280 1070 1207 632 -96 90 -108 C -ATOM 2243 O ASN A 280 0.192 -29.348 19.459 1.00 7.55 O -ANISOU 2243 O ASN A 280 1067 1232 571 -115 134 -114 O -ATOM 2244 CB ASN A 280 -0.150 -32.154 21.593 1.00 8.86 C -ANISOU 2244 CB ASN A 280 1311 1383 672 35 237 21 C -ATOM 2245 CG ASN A 280 -0.930 -31.200 22.478 1.00 9.96 C -ANISOU 2245 CG ASN A 280 1448 1571 765 -73 322 103 C -ATOM 2246 OD1 ASN A 280 -1.258 -30.083 22.091 1.00 9.62 O -ANISOU 2246 OD1 ASN A 280 1350 1556 748 -41 329 6 O -ATOM 2247 ND2 ASN A 280 -1.240 -31.644 23.681 1.00 12.73 N -ANISOU 2247 ND2 ASN A 280 1841 2068 926 229 453 226 N -ATOM 2248 N PHE A 281 -1.109 -31.122 18.967 1.00 7.41 N -ANISOU 2248 N PHE A 281 1002 1172 643 -91 79 -70 N -ATOM 2249 CA PHE A 281 -1.834 -30.380 17.946 1.00 7.77 C -ANISOU 2249 CA PHE A 281 1022 1232 699 -12 17 -138 C -ATOM 2250 C PHE A 281 -2.540 -29.159 18.541 1.00 8.20 C -ANISOU 2250 C PHE A 281 1060 1318 736 -10 175 -59 C -ATOM 2251 O PHE A 281 -2.572 -28.099 17.926 1.00 7.71 O -ANISOU 2251 O PHE A 281 985 1141 803 -48 69 -30 O -ATOM 2252 CB PHE A 281 -2.885 -31.250 17.260 1.00 7.34 C -ANISOU 2252 CB PHE A 281 973 1154 662 20 8 -130 C -ATOM 2253 CG PHE A 281 -2.343 -32.229 16.244 1.00 7.20 C -ANISOU 2253 CG PHE A 281 902 1146 687 -67 93 -34 C -ATOM 2254 CD1 PHE A 281 -0.984 -32.471 16.082 1.00 7.23 C -ANISOU 2254 CD1 PHE A 281 855 1270 624 -101 4 -93 C -ATOM 2255 CD2 PHE A 281 -3.222 -32.928 15.447 1.00 7.53 C -ANISOU 2255 CD2 PHE A 281 884 1239 738 -152 101 -24 C -ATOM 2256 CE1 PHE A 281 -0.546 -33.377 15.125 1.00 7.20 C -ANISOU 2256 CE1 PHE A 281 924 1164 646 -82 13 14 C -ATOM 2257 CE2 PHE A 281 -2.787 -33.837 14.513 1.00 8.00 C -ANISOU 2257 CE2 PHE A 281 1025 1269 746 -10 19 -120 C -ATOM 2258 CZ PHE A 281 -1.442 -34.054 14.341 1.00 7.50 C -ANISOU 2258 CZ PHE A 281 1011 1159 679 -47 77 40 C -ATOM 2259 N SER A 282 -3.120 -29.286 19.732 1.00 8.87 N -ANISOU 2259 N SER A 282 1186 1370 816 63 279 -170 N -ATOM 2260 CA ASER A 282 -3.797 -28.180 20.387 0.79 9.52 C -ANISOU 2260 CA ASER A 282 1280 1463 873 -12 315 -242 C -ATOM 2261 CA BSER A 282 -3.800 -28.157 20.347 0.21 9.78 C -ANISOU 2261 CA BSER A 282 1300 1553 863 145 263 -232 C -ATOM 2262 C SER A 282 -2.805 -27.045 20.653 1.00 9.49 C -ANISOU 2262 C SER A 282 1278 1507 821 101 201 -226 C -ATOM 2263 O SER A 282 -3.122 -25.854 20.503 1.00 9.61 O -ANISOU 2263 O SER A 282 1328 1550 775 142 189 -277 O -ATOM 2264 CB ASER A 282 -4.433 -28.670 21.687 0.79 10.70 C -ANISOU 2264 CB ASER A 282 1420 1653 992 -97 365 -229 C -ATOM 2265 CB BSER A 282 -4.533 -28.585 21.614 0.21 10.97 C -ANISOU 2265 CB BSER A 282 1425 1799 943 274 274 -267 C -ATOM 2266 OG ASER A 282 -5.131 -27.642 22.362 0.79 11.68 O -ANISOU 2266 OG ASER A 282 1605 1798 1035 45 317 -196 O -ATOM 2267 OG BSER A 282 -5.733 -29.257 21.284 0.21 11.89 O -ANISOU 2267 OG BSER A 282 1522 2002 992 390 267 -312 O -ATOM 2268 N GLN A 283 -1.603 -27.424 21.073 1.00 8.75 N -ANISOU 2268 N GLN A 283 1141 1416 769 32 127 -192 N -ATOM 2269 CA GLN A 283 -0.558 -26.444 21.337 1.00 8.33 C -ANISOU 2269 CA GLN A 283 1182 1304 679 32 106 -166 C -ATOM 2270 C GLN A 283 -0.053 -25.799 20.057 1.00 7.92 C -ANISOU 2270 C GLN A 283 1195 1202 613 31 117 -203 C -ATOM 2271 O GLN A 283 0.316 -24.619 20.061 1.00 8.54 O -ANISOU 2271 O GLN A 283 1364 1246 633 -88 108 -234 O -ATOM 2272 CB GLN A 283 0.573 -27.078 22.137 1.00 9.21 C -ANISOU 2272 CB GLN A 283 1364 1517 620 92 123 -96 C -ATOM 2273 CG GLN A 283 0.109 -27.418 23.539 1.00 10.75 C -ANISOU 2273 CG GLN A 283 1649 1838 597 292 145 -122 C -ATOM 2274 CD GLN A 283 1.078 -28.273 24.302 1.00 12.21 C -ANISOU 2274 CD GLN A 283 1916 2074 648 422 127 -103 C -ATOM 2275 OE1 GLN A 283 1.616 -29.249 23.780 1.00 10.80 O -ANISOU 2275 OE1 GLN A 283 1655 1843 607 197 185 3 O -ATOM 2276 NE2 GLN A 283 1.347 -27.889 25.545 1.00 16.02 N -ANISOU 2276 NE2 GLN A 283 2431 2747 908 798 31 -244 N -ATOM 2277 N LEU A 284 -0.057 -26.535 18.949 1.00 7.40 N -ANISOU 2277 N LEU A 284 1127 1112 573 61 146 -113 N -ATOM 2278 CA LEU A 284 0.266 -25.925 17.657 1.00 7.54 C -ANISOU 2278 CA LEU A 284 1070 1199 595 17 151 -43 C -ATOM 2279 C LEU A 284 -0.780 -24.886 17.285 1.00 7.76 C -ANISOU 2279 C LEU A 284 1067 1189 691 -49 182 -102 C -ATOM 2280 O LEU A 284 -0.431 -23.798 16.841 1.00 7.87 O -ANISOU 2280 O LEU A 284 1107 1129 754 -87 167 -200 O -ATOM 2281 CB LEU A 284 0.379 -26.979 16.564 1.00 7.55 C -ANISOU 2281 CB LEU A 284 995 1291 582 -64 100 -59 C -ATOM 2282 CG LEU A 284 0.451 -26.416 15.150 1.00 7.45 C -ANISOU 2282 CG LEU A 284 931 1312 588 -36 20 -169 C -ATOM 2283 CD1 LEU A 284 1.726 -25.565 14.949 1.00 8.20 C -ANISOU 2283 CD1 LEU A 284 1146 1383 585 64 -50 -230 C -ATOM 2284 CD2 LEU A 284 0.360 -27.514 14.126 1.00 8.15 C -ANISOU 2284 CD2 LEU A 284 1072 1360 666 59 -37 -174 C -ATOM 2285 N ARG A 285 -2.057 -25.198 17.480 1.00 7.78 N -ANISOU 2285 N ARG A 285 1071 1086 798 -13 153 -44 N -ATOM 2286 CA ARG A 285 -3.093 -24.212 17.185 1.00 8.17 C -ANISOU 2286 CA ARG A 285 1005 1215 882 -67 152 -78 C -ATOM 2287 C ARG A 285 -2.814 -22.943 17.972 1.00 8.43 C -ANISOU 2287 C ARG A 285 1125 1217 861 53 208 -45 C -ATOM 2288 O ARG A 285 -2.821 -21.847 17.418 1.00 8.72 O -ANISOU 2288 O ARG A 285 1143 1220 951 14 155 -147 O -ATOM 2289 CB ARG A 285 -4.478 -24.754 17.530 1.00 8.83 C -ANISOU 2289 CB ARG A 285 1047 1296 1013 -13 121 -78 C -ATOM 2290 CG ARG A 285 -5.551 -23.700 17.405 1.00 9.78 C -ANISOU 2290 CG ARG A 285 1124 1464 1129 123 213 -62 C -ATOM 2291 CD ARG A 285 -6.889 -24.172 17.893 1.00 9.99 C -ANISOU 2291 CD ARG A 285 1016 1579 1202 78 270 -128 C -ATOM 2292 NE ARG A 285 -7.854 -23.069 17.883 1.00 10.92 N -ANISOU 2292 NE ARG A 285 1116 1766 1265 183 327 -214 N -ATOM 2293 CZ ARG A 285 -9.036 -23.074 17.277 1.00 11.56 C -ANISOU 2293 CZ ARG A 285 1148 1883 1361 210 299 -158 C -ATOM 2294 NH1 ARG A 285 -9.482 -24.145 16.640 1.00 12.22 N -ANISOU 2294 NH1 ARG A 285 1196 2063 1384 171 182 -193 N -ATOM 2295 NH2 ARG A 285 -9.802 -21.997 17.337 1.00 12.31 N -ANISOU 2295 NH2 ARG A 285 1203 1982 1493 302 272 -160 N -ATOM 2296 N ALA A 286 -2.530 -23.085 19.261 1.00 8.83 N -ANISOU 2296 N ALA A 286 1330 1198 826 -13 197 -169 N -ATOM 2297 CA ALA A 286 -2.297 -21.912 20.093 1.00 9.04 C -ANISOU 2297 CA ALA A 286 1375 1304 757 60 197 -299 C -ATOM 2298 C ALA A 286 -1.065 -21.131 19.611 1.00 8.60 C -ANISOU 2298 C ALA A 286 1293 1183 793 -1 146 -319 C -ATOM 2299 O ALA A 286 -1.055 -19.909 19.591 1.00 9.11 O -ANISOU 2299 O ALA A 286 1480 1151 830 26 226 -359 O -ATOM 2300 CB ALA A 286 -2.142 -22.311 21.546 1.00 10.13 C -ANISOU 2300 CB ALA A 286 1582 1503 764 122 189 -299 C -ATOM 2301 N ALA A 287 -0.009 -21.844 19.237 1.00 8.59 N -ANISOU 2301 N ALA A 287 1175 1299 788 13 105 -361 N -ATOM 2302 CA ALA A 287 1.208 -21.220 18.719 1.00 8.61 C -ANISOU 2302 CA ALA A 287 1192 1292 788 -4 133 -327 C -ATOM 2303 C ALA A 287 0.949 -20.466 17.425 1.00 8.24 C -ANISOU 2303 C ALA A 287 1171 1178 780 -30 181 -328 C -ATOM 2304 O ALA A 287 1.476 -19.371 17.219 1.00 8.31 O -ANISOU 2304 O ALA A 287 1268 1142 749 -107 128 -341 O -ATOM 2305 CB ALA A 287 2.291 -22.279 18.516 1.00 8.81 C -ANISOU 2305 CB ALA A 287 1117 1369 860 -151 -20 -295 C -ATOM 2306 N ALA A 288 0.160 -21.055 16.537 1.00 8.30 N -ANISOU 2306 N ALA A 288 1207 1131 817 -4 102 -236 N -ATOM 2307 CA ALA A 288 -0.169 -20.410 15.270 1.00 8.49 C -ANISOU 2307 CA ALA A 288 1226 1167 833 66 107 -136 C -ATOM 2308 C ALA A 288 -1.042 -19.169 15.489 1.00 8.19 C -ANISOU 2308 C ALA A 288 1189 1076 846 -20 165 -166 C -ATOM 2309 O ALA A 288 -0.854 -18.147 14.847 1.00 8.57 O -ANISOU 2309 O ALA A 288 1250 1217 787 17 174 -128 O -ATOM 2310 CB ALA A 288 -0.841 -21.387 14.340 1.00 8.93 C -ANISOU 2310 CB ALA A 288 1326 1259 809 74 111 -175 C -ATOM 2311 N VAL A 289 -2.011 -19.268 16.389 1.00 8.70 N -ANISOU 2311 N VAL A 289 1243 1085 979 46 247 -211 N -ATOM 2312 CA VAL A 289 -2.849 -18.122 16.712 1.00 9.67 C -ANISOU 2312 CA VAL A 289 1313 1243 1118 113 374 -131 C -ATOM 2313 C VAL A 289 -2.010 -16.997 17.305 1.00 9.46 C -ANISOU 2313 C VAL A 289 1415 1101 1081 131 387 -96 C -ATOM 2314 O VAL A 289 -2.146 -15.836 16.920 1.00 10.35 O -ANISOU 2314 O VAL A 289 1617 1163 1151 216 379 -90 O -ATOM 2315 CB VAL A 289 -3.986 -18.525 17.679 1.00 10.69 C -ANISOU 2315 CB VAL A 289 1457 1310 1294 118 497 -71 C -ATOM 2316 CG1 VAL A 289 -4.661 -17.286 18.267 1.00 11.75 C -ANISOU 2316 CG1 VAL A 289 1518 1546 1401 141 686 17 C -ATOM 2317 CG2 VAL A 289 -4.995 -19.424 16.978 1.00 11.21 C -ANISOU 2317 CG2 VAL A 289 1552 1324 1382 251 505 -59 C -ATOM 2318 N GLN A 290 -1.109 -17.329 18.219 1.00 9.59 N -ANISOU 2318 N GLN A 290 1518 1082 1044 93 362 -287 N -ATOM 2319 CA GLN A 290 -0.270 -16.303 18.822 1.00 10.32 C -ANISOU 2319 CA GLN A 290 1606 1238 1075 -4 351 -362 C -ATOM 2320 C GLN A 290 0.663 -15.699 17.780 1.00 9.47 C -ANISOU 2320 C GLN A 290 1510 1063 1024 -80 256 -380 C -ATOM 2321 O GLN A 290 0.862 -14.489 17.755 1.00 10.32 O -ANISOU 2321 O GLN A 290 1682 1115 1125 -49 206 -261 O -ATOM 2322 CB GLN A 290 0.527 -16.862 19.991 1.00 11.57 C -ANISOU 2322 CB GLN A 290 1868 1342 1185 -143 382 -386 C -ATOM 2323 CG GLN A 290 1.334 -15.804 20.735 1.00 13.70 C -ANISOU 2323 CG GLN A 290 2229 1622 1354 -135 426 -483 C -ATOM 2324 CD GLN A 290 0.441 -14.760 21.352 1.00 15.15 C -ANISOU 2324 CD GLN A 290 2487 1738 1530 -219 577 -545 C -ATOM 2325 OE1 GLN A 290 -0.416 -15.086 22.163 1.00 16.97 O -ANISOU 2325 OE1 GLN A 290 2858 1982 1609 -117 811 -491 O -ATOM 2326 NE2 GLN A 290 0.609 -13.512 20.954 1.00 15.02 N -ANISOU 2326 NE2 GLN A 290 2433 1705 1568 -89 469 -697 N -ATOM 2327 N SER A 291 1.220 -16.533 16.907 1.00 8.94 N -ANISOU 2327 N SER A 291 1417 1030 951 -93 269 -324 N -ATOM 2328 CA SER A 291 2.116 -16.037 15.873 1.00 8.88 C -ANISOU 2328 CA SER A 291 1259 1138 977 -151 206 -280 C -ATOM 2329 C SER A 291 1.405 -15.080 14.931 1.00 9.20 C -ANISOU 2329 C SER A 291 1266 1181 1049 -68 219 -333 C -ATOM 2330 O SER A 291 1.931 -14.009 14.592 1.00 9.21 O -ANISOU 2330 O SER A 291 1341 1087 1072 -18 213 -327 O -ATOM 2331 CB SER A 291 2.698 -17.217 15.087 1.00 8.96 C -ANISOU 2331 CB SER A 291 1284 1171 949 34 43 -295 C -ATOM 2332 OG SER A 291 3.535 -18.025 15.907 1.00 10.74 O -ANISOU 2332 OG SER A 291 1523 1554 1006 228 -47 -310 O -ATOM 2333 N ALA A 292 0.202 -15.450 14.501 1.00 9.27 N -ANISOU 2333 N ALA A 292 1295 1108 1121 10 215 -311 N -ATOM 2334 CA ALA A 292 -0.589 -14.565 13.647 1.00 9.24 C -ANISOU 2334 CA ALA A 292 1347 1021 1145 13 229 -225 C -ATOM 2335 C ALA A 292 -0.966 -13.264 14.359 1.00 9.38 C -ANISOU 2335 C ALA A 292 1303 1033 1227 -74 285 -135 C -ATOM 2336 O ALA A 292 -1.020 -12.201 13.738 1.00 9.97 O -ANISOU 2336 O ALA A 292 1443 1059 1286 119 286 -143 O -ATOM 2337 CB ALA A 292 -1.837 -15.287 13.116 1.00 9.80 C -ANISOU 2337 CB ALA A 292 1434 1148 1143 34 238 -249 C -ATOM 2338 N THR A 293 -1.231 -13.358 15.662 1.00 9.87 N -ANISOU 2338 N THR A 293 1362 1126 1261 23 365 -176 N -ATOM 2339 CA THR A 293 -1.541 -12.180 16.463 1.00 10.81 C -ANISOU 2339 CA THR A 293 1603 1213 1290 172 333 -301 C -ATOM 2340 C THR A 293 -0.332 -11.243 16.501 1.00 11.09 C -ANISOU 2340 C THR A 293 1714 1217 1283 108 222 -349 C -ATOM 2341 O THR A 293 -0.463 -10.036 16.318 1.00 11.22 O -ANISOU 2341 O THR A 293 1742 1230 1292 86 192 -357 O -ATOM 2342 CB THR A 293 -1.952 -12.570 17.887 1.00 11.39 C -ANISOU 2342 CB THR A 293 1713 1305 1311 107 372 -386 C -ATOM 2343 OG1 THR A 293 -3.155 -13.352 17.837 1.00 11.96 O -ANISOU 2343 OG1 THR A 293 1822 1409 1312 198 426 -374 O -ATOM 2344 CG2 THR A 293 -2.203 -11.335 18.752 1.00 12.41 C -ANISOU 2344 CG2 THR A 293 1984 1363 1368 169 389 -525 C -ATOM 2345 N ASP A 294 0.852 -11.805 16.714 1.00 10.69 N -ANISOU 2345 N ASP A 294 1697 1090 1274 73 197 -350 N -ATOM 2346 CA ASP A 294 2.077 -11.011 16.741 1.00 11.13 C -ANISOU 2346 CA ASP A 294 1708 1181 1339 13 212 -355 C -ATOM 2347 C ASP A 294 2.283 -10.278 15.422 1.00 11.43 C -ANISOU 2347 C ASP A 294 1726 1153 1464 17 238 -315 C -ATOM 2348 O ASP A 294 2.665 -9.117 15.383 1.00 11.90 O -ANISOU 2348 O ASP A 294 1830 1166 1526 14 186 -437 O -ATOM 2349 CB ASP A 294 3.312 -11.900 16.944 1.00 11.59 C -ANISOU 2349 CB ASP A 294 1770 1340 1295 102 150 -429 C -ATOM 2350 CG ASP A 294 3.375 -12.603 18.303 1.00 11.21 C -ANISOU 2350 CG ASP A 294 1833 1134 1292 -4 189 -451 C -ATOM 2351 OD1 ASP A 294 2.667 -12.234 19.259 1.00 11.90 O -ANISOU 2351 OD1 ASP A 294 1939 1267 1316 12 116 -413 O -ATOM 2352 OD2 ASP A 294 4.203 -13.541 18.408 1.00 11.63 O -ANISOU 2352 OD2 ASP A 294 1919 1216 1283 74 314 -467 O -ATOM 2353 N LEU A 295 2.061 -10.986 14.326 1.00 10.79 N -ANISOU 2353 N LEU A 295 1580 1056 1464 -155 180 -168 N -ATOM 2354 CA LEU A 295 2.383 -10.459 13.011 1.00 11.48 C -ANISOU 2354 CA LEU A 295 1581 1249 1531 4 227 -34 C -ATOM 2355 C LEU A 295 1.330 -9.527 12.450 1.00 11.98 C -ANISOU 2355 C LEU A 295 1637 1260 1656 19 145 -13 C -ATOM 2356 O LEU A 295 1.682 -8.581 11.753 1.00 12.56 O -ANISOU 2356 O LEU A 295 1651 1336 1784 -22 60 90 O -ATOM 2357 CB LEU A 295 2.588 -11.606 12.028 1.00 11.53 C -ANISOU 2357 CB LEU A 295 1557 1293 1531 144 214 14 C -ATOM 2358 CG LEU A 295 3.808 -12.489 12.270 1.00 12.38 C -ANISOU 2358 CG LEU A 295 1642 1436 1625 148 219 94 C -ATOM 2359 CD1 LEU A 295 3.662 -13.820 11.550 1.00 13.35 C -ANISOU 2359 CD1 LEU A 295 1751 1725 1598 308 169 -38 C -ATOM 2360 CD2 LEU A 295 5.060 -11.753 11.843 1.00 13.25 C -ANISOU 2360 CD2 LEU A 295 1722 1547 1765 -12 267 176 C -ATOM 2361 N TYR A 296 0.059 -9.767 12.766 1.00 11.82 N -ANISOU 2361 N TYR A 296 1635 1182 1675 108 100 -1 N -ATOM 2362 CA TYR A 296 -1.038 -9.119 12.049 1.00 11.87 C -ANISOU 2362 CA TYR A 296 1621 1167 1722 142 107 63 C -ATOM 2363 C TYR A 296 -2.071 -8.468 12.945 1.00 12.66 C -ANISOU 2363 C TYR A 296 1803 1210 1796 199 208 -46 C -ATOM 2364 O TYR A 296 -2.897 -7.703 12.477 1.00 12.89 O -ANISOU 2364 O TYR A 296 1845 1233 1819 199 222 58 O -ATOM 2365 CB TYR A 296 -1.753 -10.123 11.129 1.00 11.82 C -ANISOU 2365 CB TYR A 296 1586 1231 1675 198 71 20 C -ATOM 2366 CG TYR A 296 -0.787 -10.789 10.198 1.00 12.00 C -ANISOU 2366 CG TYR A 296 1590 1306 1661 177 41 -17 C -ATOM 2367 CD1 TYR A 296 -0.132 -10.059 9.216 1.00 12.76 C -ANISOU 2367 CD1 TYR A 296 1770 1390 1689 227 -6 -38 C -ATOM 2368 CD2 TYR A 296 -0.471 -12.140 10.328 1.00 11.99 C -ANISOU 2368 CD2 TYR A 296 1510 1406 1639 217 -69 -62 C -ATOM 2369 CE1 TYR A 296 0.789 -10.647 8.381 1.00 13.05 C -ANISOU 2369 CE1 TYR A 296 1769 1546 1641 238 -35 -165 C -ATOM 2370 CE2 TYR A 296 0.456 -12.735 9.499 1.00 12.14 C -ANISOU 2370 CE2 TYR A 296 1483 1521 1610 140 -85 -119 C -ATOM 2371 CZ TYR A 296 1.087 -11.988 8.529 1.00 12.62 C -ANISOU 2371 CZ TYR A 296 1595 1653 1547 220 -75 -289 C -ATOM 2372 OH TYR A 296 2.021 -12.584 7.718 1.00 13.54 O -ANISOU 2372 OH TYR A 296 1632 2024 1488 173 -104 -423 O -ATOM 2373 N GLY A 297 -2.042 -8.778 14.233 1.00 13.03 N -ANISOU 2373 N GLY A 297 1879 1264 1809 288 329 -150 N -ATOM 2374 CA GLY A 297 -2.969 -8.177 15.172 1.00 13.89 C -ANISOU 2374 CA GLY A 297 1998 1343 1937 282 422 -327 C -ATOM 2375 C GLY A 297 -4.115 -9.094 15.557 1.00 14.69 C -ANISOU 2375 C GLY A 297 2113 1445 2024 216 541 -406 C -ATOM 2376 O GLY A 297 -4.583 -9.899 14.765 1.00 14.43 O -ANISOU 2376 O GLY A 297 2110 1387 1985 263 476 -427 O -ATOM 2377 N SER A 298 -4.590 -8.960 16.788 1.00 15.80 N -ANISOU 2377 N SER A 298 2316 1571 2117 150 693 -506 N -ATOM 2378 CA SER A 298 -5.607 -9.862 17.313 1.00 17.22 C -ANISOU 2378 CA SER A 298 2560 1735 2247 231 856 -477 C -ATOM 2379 C SER A 298 -6.928 -9.821 16.548 1.00 17.69 C -ANISOU 2379 C SER A 298 2493 1788 2442 94 948 -377 C -ATOM 2380 O SER A 298 -7.640 -10.834 16.492 1.00 18.74 O -ANISOU 2380 O SER A 298 2567 1991 2564 -3 1009 -413 O -ATOM 2381 CB SER A 298 -5.873 -9.548 18.778 1.00 18.80 C -ANISOU 2381 CB SER A 298 2842 2086 2216 321 904 -549 C -ATOM 2382 OG SER A 298 -6.403 -8.249 18.899 1.00 20.26 O -ANISOU 2382 OG SER A 298 3114 2348 2236 436 888 -655 O -ATOM 2383 N THR A 299 -7.265 -8.670 15.968 1.00 17.56 N -ANISOU 2383 N THR A 299 2368 1772 2531 223 933 -399 N -ATOM 2384 CA THR A 299 -8.526 -8.531 15.244 1.00 18.15 C -ANISOU 2384 CA THR A 299 2366 1863 2669 430 768 -309 C -ATOM 2385 C THR A 299 -8.385 -8.810 13.748 1.00 16.99 C -ANISOU 2385 C THR A 299 2124 1689 2642 421 642 -296 C -ATOM 2386 O THR A 299 -9.319 -8.600 12.983 1.00 17.73 O -ANISOU 2386 O THR A 299 2152 1857 2726 491 586 -234 O -ATOM 2387 CB THR A 299 -9.134 -7.123 15.430 1.00 20.59 C -ANISOU 2387 CB THR A 299 2729 2252 2840 773 667 -226 C -ATOM 2388 OG1 THR A 299 -8.338 -6.163 14.730 1.00 21.68 O -ANISOU 2388 OG1 THR A 299 3018 2274 2946 1033 524 -133 O -ATOM 2389 CG2 THR A 299 -9.201 -6.761 16.898 1.00 21.74 C -ANISOU 2389 CG2 THR A 299 2868 2505 2887 850 629 -275 C -ATOM 2390 N SER A 300 -7.236 -9.321 13.328 1.00 15.56 N -ANISOU 2390 N SER A 300 1900 1470 2541 336 621 -179 N -ATOM 2391 CA SER A 300 -6.960 -9.478 11.905 1.00 14.27 C -ANISOU 2391 CA SER A 300 1660 1308 2456 320 517 -68 C -ATOM 2392 C SER A 300 -7.692 -10.647 11.267 1.00 13.27 C -ANISOU 2392 C SER A 300 1474 1162 2405 138 355 -5 C -ATOM 2393 O SER A 300 -8.033 -11.637 11.924 1.00 14.01 O -ANISOU 2393 O SER A 300 1539 1363 2421 187 405 -58 O -ATOM 2394 CB SER A 300 -5.454 -9.657 11.692 1.00 13.99 C -ANISOU 2394 CB SER A 300 1619 1281 2417 303 481 -42 C -ATOM 2395 OG SER A 300 -4.986 -10.876 12.250 1.00 13.90 O -ANISOU 2395 OG SER A 300 1563 1343 2376 302 465 -130 O -ATOM 2396 N GLN A 301 -7.851 -10.558 9.956 1.00 14.35 N -ANISOU 2396 N GLN A 301 1750 1264 2438 280 201 96 N -ATOM 2397 CA GLN A 301 -8.327 -11.677 9.171 1.00 14.63 C -ANISOU 2397 CA GLN A 301 1746 1447 2366 337 52 18 C -ATOM 2398 C GLN A 301 -7.395 -12.882 9.340 1.00 13.21 C -ANISOU 2398 C GLN A 301 1465 1398 2156 167 83 39 C -ATOM 2399 O GLN A 301 -7.842 -14.020 9.401 1.00 12.66 O -ANISOU 2399 O GLN A 301 1381 1400 2030 57 -18 -63 O -ATOM 2400 CB GLN A 301 -8.385 -11.306 7.692 1.00 15.44 C -ANISOU 2400 CB GLN A 301 1815 1526 2525 350 -148 104 C -ATOM 2401 CG GLN A 301 -8.878 -12.446 6.829 1.00 16.86 C -ANISOU 2401 CG GLN A 301 1900 1834 2671 529 -284 81 C -ATOM 2402 CD GLN A 301 -10.307 -12.815 7.155 1.00 18.13 C -ANISOU 2402 CD GLN A 301 1925 2147 2818 723 -283 -43 C -ATOM 2403 OE1 GLN A 301 -11.222 -11.993 7.002 1.00 19.13 O -ANISOU 2403 OE1 GLN A 301 2064 2267 2939 903 -300 -110 O -ATOM 2404 NE2 GLN A 301 -10.514 -14.034 7.629 1.00 17.78 N -ANISOU 2404 NE2 GLN A 301 1765 2149 2841 530 -335 -168 N -ATOM 2405 N GLU A 302 -6.095 -12.628 9.422 1.00 12.47 N -ANISOU 2405 N GLU A 302 1444 1234 2061 272 249 66 N -ATOM 2406 CA GLU A 302 -5.124 -13.713 9.504 1.00 11.70 C -ANISOU 2406 CA GLU A 302 1326 1246 1875 110 272 -27 C -ATOM 2407 C GLU A 302 -5.363 -14.575 10.749 1.00 10.97 C -ANISOU 2407 C GLU A 302 1259 1181 1729 52 261 -171 C -ATOM 2408 O GLU A 302 -5.357 -15.809 10.679 1.00 11.08 O -ANISOU 2408 O GLU A 302 1339 1222 1647 8 98 -198 O -ATOM 2409 CB GLU A 302 -3.706 -13.137 9.485 1.00 11.94 C -ANISOU 2409 CB GLU A 302 1332 1342 1863 38 305 45 C -ATOM 2410 CG GLU A 302 -3.308 -12.519 8.131 1.00 12.83 C -ANISOU 2410 CG GLU A 302 1535 1480 1862 98 471 129 C -ATOM 2411 CD GLU A 302 -3.732 -11.070 7.941 1.00 14.25 C -ANISOU 2411 CD GLU A 302 1831 1666 1915 92 471 145 C -ATOM 2412 OE1 GLU A 302 -4.451 -10.499 8.767 1.00 14.08 O -ANISOU 2412 OE1 GLU A 302 1840 1583 1926 63 359 -157 O -ATOM 2413 OE2 GLU A 302 -3.288 -10.466 6.951 1.00 17.02 O -ANISOU 2413 OE2 GLU A 302 2381 2060 2027 430 582 171 O -ATOM 2414 N VAL A 303 -5.557 -13.934 11.896 1.00 10.97 N -ANISOU 2414 N VAL A 303 1304 1179 1684 140 204 -248 N -ATOM 2415 CA VAL A 303 -5.883 -14.680 13.104 1.00 10.54 C -ANISOU 2415 CA VAL A 303 1219 1185 1599 58 191 -292 C -ATOM 2416 C VAL A 303 -7.208 -15.439 12.960 1.00 10.62 C -ANISOU 2416 C VAL A 303 1194 1221 1620 105 108 -355 C -ATOM 2417 O VAL A 303 -7.323 -16.617 13.333 1.00 10.57 O -ANISOU 2417 O VAL A 303 1215 1255 1544 48 223 -399 O -ATOM 2418 CB VAL A 303 -5.913 -13.747 14.325 1.00 11.05 C -ANISOU 2418 CB VAL A 303 1369 1269 1560 7 185 -339 C -ATOM 2419 CG1 VAL A 303 -6.563 -14.414 15.504 1.00 11.88 C -ANISOU 2419 CG1 VAL A 303 1468 1485 1560 172 247 -309 C -ATOM 2420 CG2 VAL A 303 -4.504 -13.288 14.678 1.00 11.90 C -ANISOU 2420 CG2 VAL A 303 1543 1384 1595 42 219 -334 C -ATOM 2421 N ALA A 304 -8.218 -14.763 12.423 1.00 11.15 N -ANISOU 2421 N ALA A 304 1205 1305 1727 179 25 -287 N -ATOM 2422 CA ALA A 304 -9.517 -15.404 12.244 1.00 11.65 C -ANISOU 2422 CA ALA A 304 1184 1449 1791 249 -20 -251 C -ATOM 2423 C ALA A 304 -9.410 -16.660 11.372 1.00 11.02 C -ANISOU 2423 C ALA A 304 1101 1395 1693 153 37 -204 C -ATOM 2424 O ALA A 304 -10.028 -17.688 11.651 1.00 11.08 O -ANISOU 2424 O ALA A 304 1043 1466 1701 113 128 -109 O -ATOM 2425 CB ALA A 304 -10.511 -14.419 11.649 1.00 12.08 C -ANISOU 2425 CB ALA A 304 1229 1476 1885 432 -88 -322 C -ATOM 2426 N SER A 305 -8.611 -16.577 10.314 1.00 10.18 N -ANISOU 2426 N SER A 305 1028 1275 1564 104 17 -185 N -ATOM 2427 CA SER A 305 -8.438 -17.687 9.391 1.00 10.12 C -ANISOU 2427 CA SER A 305 1089 1347 1410 159 -42 -146 C -ATOM 2428 C SER A 305 -7.669 -18.850 9.997 1.00 9.32 C -ANISOU 2428 C SER A 305 979 1294 1269 76 -5 -149 C -ATOM 2429 O SER A 305 -7.977 -19.993 9.716 1.00 9.60 O -ANISOU 2429 O SER A 305 1047 1377 1225 32 -80 -161 O -ATOM 2430 CB SER A 305 -7.752 -17.201 8.124 1.00 11.02 C -ANISOU 2430 CB SER A 305 1309 1433 1444 322 10 -29 C -ATOM 2431 OG SER A 305 -8.627 -16.351 7.404 1.00 12.61 O -ANISOU 2431 OG SER A 305 1522 1794 1475 613 71 126 O -ATOM 2432 N VAL A 306 -6.677 -18.560 10.829 1.00 9.04 N -ANISOU 2432 N VAL A 306 974 1269 1192 234 26 -198 N -ATOM 2433 CA VAL A 306 -5.971 -19.618 11.541 1.00 8.87 C -ANISOU 2433 CA VAL A 306 993 1246 1132 197 61 -202 C -ATOM 2434 C VAL A 306 -6.970 -20.393 12.414 1.00 8.51 C -ANISOU 2434 C VAL A 306 938 1255 1041 2 123 -274 C -ATOM 2435 O VAL A 306 -6.993 -21.627 12.419 1.00 8.40 O -ANISOU 2435 O VAL A 306 965 1304 921 82 21 -219 O -ATOM 2436 CB VAL A 306 -4.815 -19.060 12.391 1.00 9.43 C -ANISOU 2436 CB VAL A 306 1039 1321 1225 154 -13 -275 C -ATOM 2437 CG1 VAL A 306 -4.248 -20.122 13.318 1.00 10.13 C -ANISOU 2437 CG1 VAL A 306 1163 1423 1264 228 -142 -327 C -ATOM 2438 CG2 VAL A 306 -3.700 -18.534 11.486 1.00 9.73 C -ANISOU 2438 CG2 VAL A 306 1092 1308 1297 145 27 -367 C -ATOM 2439 N LYS A 307 -7.809 -19.673 13.152 1.00 9.22 N -ANISOU 2439 N LYS A 307 1039 1392 1074 96 241 -240 N -ATOM 2440 CA LYS A 307 -8.799 -20.334 13.991 1.00 9.34 C -ANISOU 2440 CA LYS A 307 1095 1367 1086 51 285 -256 C -ATOM 2441 C LYS A 307 -9.784 -21.166 13.180 1.00 9.34 C -ANISOU 2441 C LYS A 307 1117 1333 1097 61 177 -204 C -ATOM 2442 O LYS A 307 -10.097 -22.293 13.564 1.00 9.86 O -ANISOU 2442 O LYS A 307 1187 1455 1105 87 246 -107 O -ATOM 2443 CB LYS A 307 -9.558 -19.313 14.843 1.00 10.23 C -ANISOU 2443 CB LYS A 307 1321 1399 1166 173 352 -291 C -ATOM 2444 CG LYS A 307 -8.676 -18.580 15.853 1.00 11.24 C -ANISOU 2444 CG LYS A 307 1508 1483 1280 123 465 -429 C -ATOM 2445 CD LYS A 307 -9.437 -17.476 16.552 1.00 12.43 C -ANISOU 2445 CD LYS A 307 1630 1662 1432 64 490 -532 C -ATOM 2446 CE LYS A 307 -8.597 -16.767 17.611 1.00 13.64 C -ANISOU 2446 CE LYS A 307 1789 1783 1611 -5 489 -634 C -ATOM 2447 NZ LYS A 307 -9.278 -15.563 18.147 1.00 14.97 N -ANISOU 2447 NZ LYS A 307 2052 1892 1742 27 429 -707 N -ATOM 2448 N GLN A 308 -10.260 -20.621 12.068 1.00 9.50 N -ANISOU 2448 N GLN A 308 1120 1324 1164 110 168 -96 N -ATOM 2449 CA GLN A 308 -11.198 -21.328 11.210 1.00 9.80 C -ANISOU 2449 CA GLN A 308 1128 1347 1248 16 4 -197 C -ATOM 2450 C GLN A 308 -10.595 -22.634 10.689 1.00 9.15 C -ANISOU 2450 C GLN A 308 1029 1296 1151 23 8 -220 C -ATOM 2451 O GLN A 308 -11.254 -23.671 10.647 1.00 9.35 O -ANISOU 2451 O GLN A 308 1030 1289 1232 46 -83 -154 O -ATOM 2452 CB GLN A 308 -11.600 -20.463 9.996 1.00 12.59 C -ANISOU 2452 CB GLN A 308 1469 1796 1520 271 -85 -191 C -ATOM 2453 CG GLN A 308 -12.496 -19.244 10.275 1.00 14.64 C -ANISOU 2453 CG GLN A 308 1796 2020 1748 493 -24 -262 C -ATOM 2454 CD GLN A 308 -12.429 -18.135 9.169 1.00 17.11 C -ANISOU 2454 CD GLN A 308 2132 2386 1983 661 71 -338 C -ATOM 2455 OE1 GLN A 308 -11.673 -18.214 8.175 1.00 16.79 O -ANISOU 2455 OE1 GLN A 308 2074 2300 2008 666 -83 -707 O -ATOM 2456 NE2 GLN A 308 -13.247 -17.111 9.347 1.00 20.01 N -ANISOU 2456 NE2 GLN A 308 2595 2832 2174 819 213 -178 N -ATOM 2457 N ALA A 309 -9.325 -22.579 10.291 1.00 8.42 N -ANISOU 2457 N ALA A 309 893 1242 1066 24 9 -229 N -ATOM 2458 CA ALA A 309 -8.658 -23.733 9.707 1.00 8.54 C -ANISOU 2458 CA ALA A 309 999 1259 989 115 34 -157 C -ATOM 2459 C ALA A 309 -8.503 -24.849 10.725 1.00 8.05 C -ANISOU 2459 C ALA A 309 952 1212 895 62 32 -215 C -ATOM 2460 O ALA A 309 -8.758 -26.005 10.419 1.00 8.75 O -ANISOU 2460 O ALA A 309 993 1383 947 39 20 -148 O -ATOM 2461 CB ALA A 309 -7.325 -23.325 9.141 1.00 9.11 C -ANISOU 2461 CB ALA A 309 1133 1334 994 233 48 -53 C -ATOM 2462 N PHE A 310 -8.065 -24.511 11.936 1.00 8.05 N -ANISOU 2462 N PHE A 310 979 1262 818 88 71 -25 N -ATOM 2463 CA PHE A 310 -7.948 -25.523 12.972 1.00 8.37 C -ANISOU 2463 CA PHE A 310 1028 1315 837 33 118 1 C -ATOM 2464 C PHE A 310 -9.332 -26.047 13.388 1.00 8.50 C -ANISOU 2464 C PHE A 310 988 1311 929 35 123 -84 C -ATOM 2465 O PHE A 310 -9.490 -27.249 13.605 1.00 8.93 O -ANISOU 2465 O PHE A 310 1046 1373 976 -1 44 -3 O -ATOM 2466 CB PHE A 310 -7.094 -25.035 14.151 1.00 8.91 C -ANISOU 2466 CB PHE A 310 1021 1484 879 166 91 -30 C -ATOM 2467 CG PHE A 310 -5.605 -25.078 13.862 1.00 8.97 C -ANISOU 2467 CG PHE A 310 981 1457 970 59 85 17 C -ATOM 2468 CD1 PHE A 310 -4.893 -26.243 14.050 1.00 9.85 C -ANISOU 2468 CD1 PHE A 310 1065 1578 1100 151 95 -14 C -ATOM 2469 CD2 PHE A 310 -4.938 -23.979 13.362 1.00 9.36 C -ANISOU 2469 CD2 PHE A 310 1060 1447 1052 158 71 49 C -ATOM 2470 CE1 PHE A 310 -3.534 -26.295 13.772 1.00 9.99 C -ANISOU 2470 CE1 PHE A 310 1064 1554 1177 159 104 -48 C -ATOM 2471 CE2 PHE A 310 -3.576 -24.037 13.079 1.00 9.56 C -ANISOU 2471 CE2 PHE A 310 1161 1393 1079 110 33 91 C -ATOM 2472 CZ PHE A 310 -2.880 -25.199 13.283 1.00 9.28 C -ANISOU 2472 CZ PHE A 310 973 1462 1089 -17 49 -60 C -ATOM 2473 N ASP A 311 -10.344 -25.174 13.414 1.00 8.81 N -ANISOU 2473 N ASP A 311 935 1375 1038 66 162 -88 N -ATOM 2474 CA ASP A 311 -11.702 -25.640 13.663 1.00 9.70 C -ANISOU 2474 CA ASP A 311 949 1528 1209 56 196 -82 C -ATOM 2475 C ASP A 311 -12.102 -26.663 12.607 1.00 8.87 C -ANISOU 2475 C ASP A 311 847 1377 1149 -124 283 49 C -ATOM 2476 O ASP A 311 -12.693 -27.703 12.913 1.00 9.99 O -ANISOU 2476 O ASP A 311 1031 1532 1231 -68 256 18 O -ATOM 2477 CB ASP A 311 -12.703 -24.481 13.597 1.00 11.35 C -ANISOU 2477 CB ASP A 311 991 1902 1420 187 128 -251 C -ATOM 2478 CG ASP A 311 -12.756 -23.641 14.853 1.00 13.57 C -ANISOU 2478 CG ASP A 311 1266 2216 1673 369 71 -405 C -ATOM 2479 OD1 ASP A 311 -12.125 -23.998 15.865 1.00 14.41 O -ANISOU 2479 OD1 ASP A 311 1439 2361 1673 430 177 -385 O -ATOM 2480 OD2 ASP A 311 -13.467 -22.609 14.824 1.00 16.17 O -ANISOU 2480 OD2 ASP A 311 1641 2605 1897 783 -120 -565 O -ATOM 2481 N ALA A 312 -11.786 -26.362 11.345 1.00 8.79 N -ANISOU 2481 N ALA A 312 882 1370 1087 -6 191 80 N -ATOM 2482 CA ALA A 312 -12.189 -27.204 10.227 1.00 9.09 C -ANISOU 2482 CA ALA A 312 995 1319 1140 64 -27 -3 C -ATOM 2483 C ALA A 312 -11.604 -28.605 10.332 1.00 9.49 C -ANISOU 2483 C ALA A 312 1034 1399 1173 110 -26 -79 C -ATOM 2484 O ALA A 312 -12.239 -29.572 9.914 1.00 10.53 O -ANISOU 2484 O ALA A 312 1205 1519 1278 94 -179 -169 O -ATOM 2485 CB ALA A 312 -11.792 -26.573 8.909 1.00 9.55 C -ANISOU 2485 CB ALA A 312 1054 1419 1157 100 -50 40 C -ATOM 2486 N VAL A 313 -10.383 -28.721 10.855 1.00 8.91 N -ANISOU 2486 N VAL A 313 872 1397 1117 178 73 -88 N -ATOM 2487 CA VAL A 313 -9.775 -30.047 11.029 1.00 9.00 C -ANISOU 2487 CA VAL A 313 997 1342 1081 121 33 -56 C -ATOM 2488 C VAL A 313 -9.963 -30.622 12.437 1.00 8.97 C -ANISOU 2488 C VAL A 313 1063 1279 1066 -37 81 -68 C -ATOM 2489 O VAL A 313 -9.362 -31.630 12.791 1.00 9.60 O -ANISOU 2489 O VAL A 313 1208 1291 1147 61 82 8 O -ATOM 2490 CB VAL A 313 -8.279 -30.069 10.619 1.00 9.00 C -ANISOU 2490 CB VAL A 313 1011 1343 1065 62 105 -72 C -ATOM 2491 CG1 VAL A 313 -8.119 -29.625 9.182 1.00 9.72 C -ANISOU 2491 CG1 VAL A 313 1085 1510 1096 206 116 -164 C -ATOM 2492 CG2 VAL A 313 -7.420 -29.206 11.528 1.00 9.26 C -ANISOU 2492 CG2 VAL A 313 1090 1343 1085 29 133 -48 C -ATOM 2493 N GLY A 314 -10.819 -30.006 13.239 1.00 8.99 N -ANISOU 2493 N GLY A 314 1013 1365 1039 -10 168 4 N -ATOM 2494 CA GLY A 314 -11.197 -30.577 14.525 1.00 9.51 C -ANISOU 2494 CA GLY A 314 1027 1557 1030 25 190 -4 C -ATOM 2495 C GLY A 314 -10.189 -30.438 15.652 1.00 9.49 C -ANISOU 2495 C GLY A 314 1079 1499 1028 -124 229 -17 C -ATOM 2496 O GLY A 314 -10.238 -31.222 16.600 1.00 10.09 O -ANISOU 2496 O GLY A 314 1225 1525 1082 -124 274 17 O -ATOM 2497 N VAL A 315 -9.291 -29.460 15.551 1.00 9.57 N -ANISOU 2497 N VAL A 315 1150 1458 1029 -142 111 -98 N -ATOM 2498 CA VAL A 315 -8.280 -29.200 16.563 1.00 10.25 C -ANISOU 2498 CA VAL A 315 1236 1526 1134 -187 146 -29 C -ATOM 2499 C VAL A 315 -8.613 -27.943 17.325 1.00 11.37 C -ANISOU 2499 C VAL A 315 1386 1728 1206 -170 151 -102 C -ATOM 2500 O VAL A 315 -8.630 -26.856 16.755 1.00 11.14 O -ANISOU 2500 O VAL A 315 1520 1563 1152 -40 16 -216 O -ATOM 2501 CB VAL A 315 -6.896 -29.064 15.903 1.00 9.83 C -ANISOU 2501 CB VAL A 315 1228 1408 1097 3 46 77 C -ATOM 2502 CG1 VAL A 315 -5.822 -28.622 16.910 1.00 10.15 C -ANISOU 2502 CG1 VAL A 315 1242 1423 1191 7 -51 12 C -ATOM 2503 CG2 VAL A 315 -6.498 -30.392 15.252 1.00 10.12 C -ANISOU 2503 CG2 VAL A 315 1343 1404 1096 197 1 33 C -ATOM 2504 N LYS A 316 -8.883 -28.096 18.618 1.00 12.98 N -ANISOU 2504 N LYS A 316 1539 2035 1357 -71 404 -30 N -ATOM 2505 CA LYS A 316 -9.204 -26.965 19.477 1.00 15.90 C -ANISOU 2505 CA LYS A 316 1806 2715 1520 314 447 -100 C -ATOM 2506 C LYS A 316 -8.051 -26.598 20.392 1.00 16.89 C -ANISOU 2506 C LYS A 316 2036 2821 1559 329 416 -350 C -ATOM 2507 O LYS A 316 -7.158 -27.394 20.561 1.00 17.40 O -ANISOU 2507 O LYS A 316 2014 3005 1592 293 217 -748 O -ATOM 2508 CB LYS A 316 -10.431 -27.297 20.332 1.00 19.34 C -ANISOU 2508 CB LYS A 316 2145 3415 1788 585 355 3 C -ATOM 2509 CG LYS A 316 -11.702 -27.396 19.517 1.00 23.10 C -ANISOU 2509 CG LYS A 316 2638 4092 2049 1062 279 49 C -ATOM 2510 CD LYS A 316 -12.096 -26.011 19.006 1.00 26.53 C -ANISOU 2510 CD LYS A 316 3107 4704 2269 1639 244 78 C -ATOM 2511 CE LYS A 316 -13.514 -25.974 18.471 1.00 28.86 C -ANISOU 2511 CE LYS A 316 3430 5140 2396 2072 301 82 C -ATOM 2512 NZ LYS A 316 -13.904 -24.593 18.094 1.00 30.22 N -ANISOU 2512 NZ LYS A 316 3655 5371 2456 2298 361 124 N -ATOM 2513 OXT LYS A 316 -8.014 -25.530 20.993 1.00 17.42 O -ANISOU 2513 OXT LYS A 316 2177 2858 1583 165 489 -249 O -TER 2514 LYS A 316 -HETATM 2515 C3 UBY A 401 16.197 -41.387 10.602 1.00 11.70 C -ANISOU 2515 C3 UBY A 401 2181 1427 837 -287 -130 125 C -HETATM 2516 C2 UBY A 401 17.429 -40.952 11.099 1.00 12.10 C -ANISOU 2516 C2 UBY A 401 2319 1410 868 -365 -75 67 C -HETATM 2517 C1 UBY A 401 17.520 -40.371 12.370 1.00 12.83 C -ANISOU 2517 C1 UBY A 401 2343 1642 888 -252 -128 72 C -HETATM 2518 C6 UBY A 401 16.363 -40.264 13.140 1.00 13.50 C -ANISOU 2518 C6 UBY A 401 2317 1850 960 36 -260 -217 C -HETATM 2519 C5 UBY A 401 15.133 -40.707 12.650 1.00 12.86 C -ANISOU 2519 C5 UBY A 401 2167 1805 915 122 -355 -272 C -HETATM 2520 C4 UBY A 401 15.046 -41.256 11.378 1.00 11.98 C -ANISOU 2520 C4 UBY A 401 2089 1608 855 1 -323 25 C -HETATM 2521 C7 UBY A 401 13.720 -41.750 10.867 1.00 12.43 C -ANISOU 2521 C7 UBY A 401 2111 1717 897 317 -422 210 C -HETATM 2522 O8 AUBY A 401 12.969 -40.801 10.119 0.63 12.77 O -ANISOU 2522 O8 AUBY A 401 2047 1874 930 461 -444 -59 O -HETATM 2523 O8 BUBY A 401 13.186 -40.633 10.166 0.37 13.52 O -ANISOU 2523 O8 BUBY A 401 2234 1961 941 587 -385 103 O -HETATM 2524 C9 AUBY A 401 12.981 -40.928 8.705 0.63 10.36 C -ANISOU 2524 C9 AUBY A 401 1707 1409 822 26 -305 9 C -HETATM 2525 C9 BUBY A 401 12.601 -40.895 8.896 0.37 12.03 C -ANISOU 2525 C9 BUBY A 401 2022 1732 816 375 -307 95 C -HETATM 2526 O21AUBY A 401 13.744 -41.732 8.162 0.63 10.01 O -ANISOU 2526 O21AUBY A 401 1652 1317 834 -120 -187 79 O -HETATM 2527 O21BUBY A 401 12.101 -41.986 8.758 0.37 12.72 O -ANISOU 2527 O21BUBY A 401 2185 1793 854 353 -242 233 O -HETATM 2528 N10AUBY A 401 12.170 -40.120 8.080 0.63 9.55 N -ANISOU 2528 N10AUBY A 401 1688 1229 712 117 -280 56 N -HETATM 2529 N10BUBY A 401 12.625 -39.965 7.963 0.37 9.81 N -ANISOU 2529 N10BUBY A 401 1726 1351 652 210 -329 14 N -HETATM 2530 C11 UBY A 401 12.039 -40.137 6.646 1.00 7.73 C -ANISOU 2530 C11 UBY A 401 1351 1103 484 -84 -303 71 C -HETATM 2531 P12 UBY A 401 11.537 -38.538 5.972 1.00 5.21 P -ANISOU 2531 P12 UBY A 401 725 897 357 -104 -102 -34 P -HETATM 2532 O22 UBY A 401 12.618 -37.559 6.228 1.00 6.07 O -ANISOU 2532 O22 UBY A 401 804 1070 431 -165 -103 -87 O -HETATM 2533 O23 UBY A 401 10.193 -38.104 6.540 1.00 5.43 O -ANISOU 2533 O23 UBY A 401 759 904 402 -63 -30 -109 O -HETATM 2534 N13 UBY A 401 11.335 -38.866 4.361 1.00 5.49 N -ANISOU 2534 N13 UBY A 401 678 1066 342 -75 -156 -16 N -HETATM 2535 C14 UBY A 401 10.154 -38.419 3.632 1.00 5.46 C -ANISOU 2535 C14 UBY A 401 651 1097 326 -169 -98 50 C -HETATM 2536 C15 UBY A 401 8.954 -39.292 3.857 1.00 6.07 C -ANISOU 2536 C15 UBY A 401 727 1066 512 -51 -74 -7 C -HETATM 2537 O24 UBY A 401 7.813 -38.805 3.898 1.00 5.89 O -ANISOU 2537 O24 UBY A 401 674 1037 526 -101 -70 -2 O -HETATM 2538 C20 UBY A 401 10.501 -38.460 2.138 1.00 5.79 C -ANISOU 2538 C20 UBY A 401 780 1106 312 -144 -20 96 C -HETATM 2539 C21 UBY A 401 9.402 -37.935 1.225 1.00 6.39 C -ANISOU 2539 C21 UBY A 401 958 1096 372 -202 -119 17 C -HETATM 2540 C22 UBY A 401 9.215 -36.427 1.372 1.00 7.06 C -ANISOU 2540 C22 UBY A 401 1066 1137 481 -81 -31 75 C -HETATM 2541 C23 UBY A 401 9.642 -38.337 -0.224 1.00 6.80 C -ANISOU 2541 C23 UBY A 401 1094 1131 358 -238 -58 -55 C -HETATM 2542 N16 UBY A 401 9.179 -40.605 3.952 1.00 6.61 N -ANISOU 2542 N16 UBY A 401 906 903 702 -163 -87 -16 N -HETATM 2543 C17 UBY A 401 8.121 -41.611 4.078 1.00 7.83 C -ANISOU 2543 C17 UBY A 401 1057 1025 892 -147 63 -57 C -HETATM 2544 C18 UBY A 401 8.288 -42.468 5.302 1.00 7.98 C -ANISOU 2544 C18 UBY A 401 1009 996 1027 -378 196 -11 C -HETATM 2545 O32 UBY A 401 7.272 -43.079 5.706 1.00 10.00 O -ANISOU 2545 O32 UBY A 401 1178 1402 1217 -361 202 11 O -HETATM 2546 C25 UBY A 401 8.152 -42.499 2.829 1.00 8.38 C -ANISOU 2546 C25 UBY A 401 1127 1124 935 -127 -22 -128 C -HETATM 2547 O19 UBY A 401 9.415 -42.555 5.836 1.00 8.13 O -ANISOU 2547 O19 UBY A 401 1097 1081 913 -115 218 -4 O -HETATM 2548 C1 AGOL A 402 11.103 -23.279 22.188 0.57 18.55 C -ANISOU 2548 C1 AGOL A 402 2047 2796 2204 -689 35 -528 C -HETATM 2549 C1 BGOL A 402 10.986 -23.277 21.618 0.43 19.21 C -ANISOU 2549 C1 BGOL A 402 2214 2728 2357 -785 64 -404 C -HETATM 2550 O1 AGOL A 402 12.104 -23.459 21.166 0.57 16.85 O -ANISOU 2550 O1 AGOL A 402 1786 2555 2061 -916 50 -547 O -HETATM 2551 O1 BGOL A 402 11.127 -24.245 22.647 0.43 17.49 O -ANISOU 2551 O1 BGOL A 402 1978 2417 2251 -1161 84 -282 O -HETATM 2552 C2 GOL A 402 10.393 -21.925 22.049 1.00 19.55 C -ANISOU 2552 C2 GOL A 402 2314 2742 2373 -577 24 -476 C -HETATM 2553 O2 GOL A 402 11.369 -20.932 22.361 1.00 19.96 O -ANISOU 2553 O2 GOL A 402 2449 2654 2482 -450 23 -470 O -HETATM 2554 C3 GOL A 402 9.340 -21.881 23.155 1.00 20.42 C -ANISOU 2554 C3 GOL A 402 2472 2893 2395 -411 -123 -521 C -HETATM 2555 O3 GOL A 402 9.905 -22.094 24.450 1.00 20.10 O -ANISOU 2555 O3 GOL A 402 2520 2695 2422 -574 -347 -742 O -HETATM 2556 C1 GOL A 403 22.507 -43.846 -11.539 1.00 28.80 C -ANISOU 2556 C1 GOL A 403 3708 4013 3219 -648 -319 -460 C -HETATM 2557 O1 GOL A 403 22.797 -44.067 -12.936 1.00 27.90 O -ANISOU 2557 O1 GOL A 403 3667 3769 3163 -753 -328 -418 O -HETATM 2558 C2 GOL A 403 21.644 -42.612 -11.212 1.00 29.46 C -ANISOU 2558 C2 GOL A 403 3723 4239 3230 -533 -321 -511 C -HETATM 2559 O2 GOL A 403 20.785 -42.983 -10.127 1.00 29.99 O -ANISOU 2559 O2 GOL A 403 3702 4416 3276 -379 -348 -569 O -HETATM 2560 C3 GOL A 403 20.764 -42.157 -12.378 1.00 29.70 C -ANISOU 2560 C3 GOL A 403 3833 4218 3233 -521 -254 -497 C -HETATM 2561 O3 GOL A 403 19.949 -41.025 -12.015 1.00 28.69 O -ANISOU 2561 O3 GOL A 403 3836 3899 3165 -742 -185 -556 O -HETATM 2562 C1 GOL A 404 13.257 -47.381 3.777 1.00 14.37 C -ANISOU 2562 C1 GOL A 404 1861 1926 1671 -1 42 -160 C -HETATM 2563 O1 GOL A 404 12.205 -46.550 4.278 1.00 12.85 O -ANISOU 2563 O1 GOL A 404 1710 1521 1652 16 -11 79 O -HETATM 2564 C2 GOL A 404 12.857 -47.880 2.392 1.00 14.69 C -ANISOU 2564 C2 GOL A 404 1710 2223 1648 -240 15 -214 C -HETATM 2565 O2 GOL A 404 11.640 -48.647 2.466 1.00 15.41 O -ANISOU 2565 O2 GOL A 404 1696 2405 1755 -438 126 -106 O -HETATM 2566 C3 GOL A 404 13.924 -48.786 1.801 1.00 14.16 C -ANISOU 2566 C3 GOL A 404 1743 2090 1546 -57 -39 -136 C -HETATM 2567 O3 GOL A 404 13.582 -49.012 0.422 1.00 11.61 O -ANISOU 2567 O3 GOL A 404 1606 1431 1375 -323 43 13 O -HETATM 2568 C1 GOL A 405 13.662 -37.687 12.077 1.00 11.98 C -ANISOU 2568 C1 GOL A 405 1386 1974 1192 114 86 107 C -HETATM 2569 O1 GOL A 405 13.053 -36.420 12.375 1.00 12.28 O -ANISOU 2569 O1 GOL A 405 1210 2209 1247 -7 64 472 O -HETATM 2570 C2 GOL A 405 14.481 -37.665 10.801 1.00 11.55 C -ANISOU 2570 C2 GOL A 405 1433 1838 1115 -64 22 79 C -HETATM 2571 O2 GOL A 405 15.498 -36.681 10.944 1.00 10.95 O -ANISOU 2571 O2 GOL A 405 1275 1785 1101 -340 55 -38 O -HETATM 2572 C3 GOL A 405 13.627 -37.280 9.601 1.00 10.61 C -ANISOU 2572 C3 GOL A 405 1350 1766 917 53 -69 51 C -HETATM 2573 O3 GOL A 405 14.367 -37.410 8.371 1.00 7.11 O -ANISOU 2573 O3 GOL A 405 816 1330 555 -129 -27 24 O -HETATM 2574 S DMS A 406 15.011 -44.940 8.091 1.00 24.05 S -ANISOU 2574 S DMS A 406 2233 4477 2430 -216 -331 1133 S -HETATM 2575 O DMS A 406 15.290 -46.705 8.278 1.00 26.75 O -ANISOU 2575 O DMS A 406 2695 4928 2541 331 -195 1061 O -HETATM 2576 C1 DMS A 406 16.561 -44.093 7.926 1.00 21.33 C -ANISOU 2576 C1 DMS A 406 1975 3763 2367 -703 -226 1230 C -HETATM 2577 C2 DMS A 406 14.154 -44.539 6.568 1.00 23.83 C -ANISOU 2577 C2 DMS A 406 2173 4505 2375 15 -395 1082 C -HETATM 2578 S DMS A 407 37.003 -22.645 -1.003 1.00 21.67 S -ANISOU 2578 S DMS A 407 2658 3052 2521 -153 -50 -214 S -HETATM 2579 O DMS A 407 38.712 -22.615 -0.576 1.00 20.97 O -ANISOU 2579 O DMS A 407 2599 2889 2480 -208 -43 -73 O -HETATM 2580 C1 DMS A 407 36.149 -22.869 0.555 1.00 21.33 C -ANISOU 2580 C1 DMS A 407 2650 2978 2475 -301 60 -137 C -HETATM 2581 C2 DMS A 407 36.623 -21.005 -1.625 1.00 22.20 C -ANISOU 2581 C2 DMS A 407 2792 3049 2595 -32 -88 -205 C -HETATM 2582 S DMS A 408 -15.962 -35.143 11.865 1.00 28.89 S -ANISOU 2582 S DMS A 408 4023 3419 3533 410 -258 236 S -HETATM 2583 O DMS A 408 -16.229 -33.544 11.119 1.00 28.95 O -ANISOU 2583 O DMS A 408 4101 3398 3499 428 -305 338 O -HETATM 2584 C1 DMS A 408 -17.266 -35.545 13.033 1.00 27.82 C -ANISOU 2584 C1 DMS A 408 3926 3144 3500 199 -209 297 C -HETATM 2585 C2 DMS A 408 -16.012 -36.315 10.509 1.00 28.67 C -ANISOU 2585 C2 DMS A 408 4075 3334 3485 328 -311 122 C -HETATM 2586 S DMS A 409 43.535 -24.406 -6.488 1.00 35.75 S -ANISOU 2586 S DMS A 409 4387 4808 4389 -37 45 -48 S -HETATM 2587 O DMS A 409 43.572 -25.392 -4.978 1.00 35.90 O -ANISOU 2587 O DMS A 409 4375 4882 4385 -84 69 -8 O -HETATM 2588 C1 DMS A 409 42.421 -25.140 -7.693 1.00 35.22 C -ANISOU 2588 C1 DMS A 409 4305 4715 4361 -171 30 -57 C -HETATM 2589 C2 DMS A 409 42.946 -22.737 -6.167 1.00 34.67 C -ANISOU 2589 C2 DMS A 409 4289 4531 4353 -140 47 -11 C -HETATM 2590 ZN ZN A 410 9.945 -36.203 7.036 1.00 5.43 ZN -ANISOU 2590 ZN ZN A 410 776 930 358 -86 -76 -26 ZN -HETATM 2591 CA CA A 411 5.182 -29.990 -8.359 1.00 9.24 CA -ANISOU 2591 CA CA A 411 1307 1557 645 76 -321 -99 CA -HETATM 2592 CA CA A 412 4.959 -30.928 -4.687 1.00 6.91 CA -ANISOU 2592 CA CA A 412 865 1251 510 -11 -291 -90 CA -HETATM 2593 CA CA A 413 3.778 -41.065 -10.180 1.00 10.82 CA -ANISOU 2593 CA CA A 413 1319 1567 1224 15 -550 -433 CA -HETATM 2594 CA CA A 414 31.946 -34.905 -15.763 1.00 7.29 CA -ANISOU 2594 CA CA A 414 1257 1146 365 85 96 47 CA -HETATM 2595 O HOH A 501 -4.941 -23.710 24.010 1.00 27.86 O -ANISOU 2595 O HOH A 501 2968 4037 3579 -177 282 704 O -HETATM 2596 O HOH A 502 -7.857 -41.719 -3.901 1.00 29.70 O -ANISOU 2596 O HOH A 502 3410 4363 3512 -16 -765 -1294 O -HETATM 2597 O HOH A 503 41.641 -28.661 1.147 1.00 33.78 O -ANISOU 2597 O HOH A 503 2359 3704 6773 312 -1247 1035 O -HETATM 2598 O HOH A 504 30.596 -39.724 -7.652 1.00 28.30 O -ANISOU 2598 O HOH A 504 2536 3061 5154 361 500 2075 O -HETATM 2599 O HOH A 505 18.362 -48.265 -6.911 1.00 34.62 O -ANISOU 2599 O HOH A 505 3977 3709 5467 -1833 359 -1568 O -HETATM 2600 O HOH A 506 6.299 -11.433 20.270 1.00 37.28 O -ANISOU 2600 O HOH A 506 3409 7398 3359 -1424 289 -2288 O -HETATM 2601 O HOH A 507 3.897 -11.913 21.709 1.00 29.53 O -ANISOU 2601 O HOH A 507 4142 3933 3144 583 -396 -957 O -HETATM 2602 O HOH A 508 -3.673 -27.153 24.659 1.00 32.71 O -ANISOU 2602 O HOH A 508 3044 6269 3113 549 -265 -1783 O -HETATM 2603 O HOH A 509 -14.385 -16.528 11.732 1.00 35.57 O -ANISOU 2603 O HOH A 509 3169 5922 4424 1934 -999 -2347 O -HETATM 2604 O HOH A 510 -6.605 -34.963 22.383 1.00 35.33 O -ANISOU 2604 O HOH A 510 3607 7468 2348 -332 334 -93 O -HETATM 2605 O HOH A 511 -2.445 -24.876 24.457 1.00 36.43 O -ANISOU 2605 O HOH A 511 3527 5046 5270 1157 684 1824 O -HETATM 2606 O HOH A 512 -15.493 -22.241 13.137 1.00 33.13 O -ANISOU 2606 O HOH A 512 3572 5581 3434 2092 -1354 -1612 O -HETATM 2607 O HOH A 513 9.254 -17.011 -6.225 1.00 32.93 O -ANISOU 2607 O HOH A 513 5858 2273 4382 1025 484 1164 O -HETATM 2608 O HOH A 514 -4.795 -14.863 -0.665 1.00 37.45 O -ANISOU 2608 O HOH A 514 5448 3542 5238 -498 -2605 1608 O -HETATM 2609 O HOH A 515 6.563 -49.545 14.444 1.00 34.11 O -ANISOU 2609 O HOH A 515 4199 2433 6328 -449 1099 11 O -HETATM 2610 O HOH A 516 9.665 -45.158 9.613 1.00 38.54 O -ANISOU 2610 O HOH A 516 3014 6355 5275 1391 1386 2926 O -HETATM 2611 O HOH A 517 6.030 -47.222 8.052 1.00 34.51 O -ANISOU 2611 O HOH A 517 5633 3439 4042 -928 2022 -668 O -HETATM 2612 O HOH A 518 5.169 -27.336 25.364 1.00 39.37 O -ANISOU 2612 O HOH A 518 3965 4989 6002 -247 1935 -2274 O -HETATM 2613 O HOH A 519 44.356 -27.675 -8.971 1.00 31.62 O -ANISOU 2613 O HOH A 519 3947 4820 3249 -1380 480 915 O -HETATM 2614 O HOH A 520 15.470 -14.366 11.492 1.00 37.87 O -ANISOU 2614 O HOH A 520 5352 4858 4178 -183 1958 -1006 O -HETATM 2615 O HOH A 521 31.855 -44.099 3.232 1.00 37.21 O -ANISOU 2615 O HOH A 521 6643 3358 4137 -2127 -598 1157 O -HETATM 2616 O HOH A 522 35.873 -28.906 -18.653 1.00 34.32 O -ANISOU 2616 O HOH A 522 6590 2551 3897 -458 2737 -33 O -HETATM 2617 O HOH A 523 -4.353 -27.849 -5.004 1.00 31.87 O -ANISOU 2617 O HOH A 523 4394 5861 1854 70 -266 -943 O -HETATM 2618 O HOH A 524 -14.290 -20.423 12.058 1.00 35.73 O -ANISOU 2618 O HOH A 524 2298 5318 5960 1582 57 -474 O -HETATM 2619 O HOH A 525 38.615 -30.431 -17.508 1.00 37.86 O -ANISOU 2619 O HOH A 525 3830 4384 6173 -1745 2193 -2381 O -HETATM 2620 O HOH A 526 -15.849 -16.288 2.239 1.00 36.97 O -ANISOU 2620 O HOH A 526 4974 6630 2444 -1897 -807 -419 O -HETATM 2621 O HOH A 527 -2.468 -23.384 -5.118 1.00 38.36 O -ANISOU 2621 O HOH A 527 4348 4311 5918 1024 -2149 1196 O -HETATM 2622 O HOH A 528 32.289 -33.414 -21.019 1.00 34.78 O -ANISOU 2622 O HOH A 528 5083 5184 2948 326 -244 751 O -HETATM 2623 O HOH A 529 -5.262 -39.290 21.172 1.00 39.31 O -ANISOU 2623 O HOH A 529 5412 4460 5063 -1313 1874 1316 O -HETATM 2624 O HOH A 530 24.382 -19.785 -17.821 1.00 39.39 O -ANISOU 2624 O HOH A 530 5928 5339 3700 482 -224 2523 O -HETATM 2625 O HOH A 531 40.429 -26.394 -18.179 1.00 35.91 O -ANISOU 2625 O HOH A 531 5527 3825 4292 -913 2321 170 O -HETATM 2626 O HOH A 532 4.449 -40.635 -14.621 1.00 30.26 O -ANISOU 2626 O HOH A 532 5402 3874 2221 428 -151 -228 O -HETATM 2627 O HOH A 533 -11.779 -10.907 14.019 1.00 39.53 O -ANISOU 2627 O HOH A 533 2608 3342 9070 568 456 242 O -HETATM 2628 O HOH A 534 -3.939 -40.132 -7.966 1.00 41.12 O -ANISOU 2628 O HOH A 534 2756 6620 6248 -623 -677 819 O -HETATM 2629 O HOH A 535 6.677 -43.576 25.732 1.00 39.79 O -ANISOU 2629 O HOH A 535 3166 4893 7061 39 -902 2966 O -HETATM 2630 O HOH A 536 3.008 -11.224 3.181 1.00 37.38 O -ANISOU 2630 O HOH A 536 3584 4123 6496 -1157 1874 -1669 O -HETATM 2631 O HOH A 537 28.048 -15.665 1.437 1.00 39.25 O -ANISOU 2631 O HOH A 537 5286 3475 6150 -755 -152 1357 O -HETATM 2632 O HOH A 538 14.808 -52.030 -9.001 1.00 37.96 O -ANISOU 2632 O HOH A 538 6093 3735 4594 2368 -1010 -1376 O -HETATM 2633 O HOH A 539 4.027 -43.699 22.228 1.00 33.28 O -ANISOU 2633 O HOH A 539 5878 2663 4102 234 -619 1631 O -HETATM 2634 O HOH A 540 12.336 -11.940 6.950 1.00 35.94 O -ANISOU 2634 O HOH A 540 5878 3471 4309 -51 388 -1365 O -HETATM 2635 O HOH A 541 5.041 -16.111 -2.808 1.00 39.76 O -ANISOU 2635 O HOH A 541 8237 3039 3831 1438 -1960 17 O -HETATM 2636 O HOH A 542 0.246 -43.700 19.043 1.00 43.37 O -ANISOU 2636 O HOH A 542 4691 5585 6203 -1585 -1022 2617 O -HETATM 2637 O HOH A 543 14.447 -37.371 -19.797 1.00 44.14 O -ANISOU 2637 O HOH A 543 7554 5121 4097 -514 -376 98 O -HETATM 2638 O HOH A 544 -17.430 -23.762 12.993 1.00 36.76 O -ANISOU 2638 O HOH A 544 5364 6132 2470 586 22 -759 O -HETATM 2639 O HOH A 545 7.182 -52.263 -7.154 1.00 46.82 O -ANISOU 2639 O HOH A 545 6700 4360 6728 -2850 -524 -956 O -HETATM 2640 O HOH A 546 5.191 -9.559 8.446 1.00 44.67 O -ANISOU 2640 O HOH A 546 3508 5960 7505 248 293 1802 O -HETATM 2641 O HOH A 547 27.677 -33.702 8.675 1.00 34.00 O -ANISOU 2641 O HOH A 547 5833 4296 2790 -1916 1220 374 O -HETATM 2642 O HOH A 548 -1.077 -21.140 25.174 1.00 39.56 O -ANISOU 2642 O HOH A 548 8809 3717 2503 1067 697 -322 O -HETATM 2643 O HOH A 549 -18.130 -27.622 12.986 1.00 41.25 O -ANISOU 2643 O HOH A 549 5830 5686 4159 1238 2718 593 O -HETATM 2644 O HOH A 550 -10.624 -9.636 5.386 1.00 43.24 O -ANISOU 2644 O HOH A 550 5942 5277 5208 1970 -2289 66 O -HETATM 2645 O HOH A 551 23.622 -51.640 -7.790 1.00 45.14 O -ANISOU 2645 O HOH A 551 5895 7244 4012 -3094 -1421 2381 O -HETATM 2646 O HOH A 552 -1.162 -41.362 -17.856 1.00 41.75 O -ANISOU 2646 O HOH A 552 4490 8171 3203 -883 -1466 -525 O -HETATM 2647 O HOH A 553 5.254 -11.932 3.582 1.00 39.03 O -ANISOU 2647 O HOH A 553 4296 3745 6789 1868 -223 1020 O -HETATM 2648 O HOH A 554 14.826 -11.515 11.268 1.00 42.08 O -ANISOU 2648 O HOH A 554 5219 6156 4613 -1324 1729 -2778 O -HETATM 2649 O HOH A 555 -9.313 -34.502 22.445 1.00 46.01 O -ANISOU 2649 O HOH A 555 4400 8088 4995 1190 1477 2966 O -HETATM 2650 O HOH A 556 1.525 -38.955 22.930 1.00 41.20 O -ANISOU 2650 O HOH A 556 7493 3799 4364 1871 1285 1047 O -HETATM 2651 O HOH A 557 33.742 -42.978 3.207 1.00 36.93 O -ANISOU 2651 O HOH A 557 3252 6441 4339 1370 -21 -1944 O -HETATM 2652 O HOH A 558 8.471 -11.132 12.501 1.00 41.33 O -ANISOU 2652 O HOH A 558 3244 3243 9215 355 -1699 -1278 O -HETATM 2653 O HOH A 559 19.071 -9.259 6.830 1.00 46.77 O -ANISOU 2653 O HOH A 559 7038 4510 6221 -1662 -996 -954 O -HETATM 2654 O HOH A 560 -7.813 -30.360 22.789 1.00 41.71 O -ANISOU 2654 O HOH A 560 5633 7307 2906 -1806 518 54 O -HETATM 2655 O HOH A 561 7.800 -40.454 26.492 1.00 37.04 O -ANISOU 2655 O HOH A 561 2978 3904 7190 733 294 -957 O -HETATM 2656 O HOH A 562 36.235 -38.942 2.170 1.00 42.35 O -ANISOU 2656 O HOH A 562 4781 4190 7121 -199 -2177 2331 O -HETATM 2657 O HOH A 563 -16.311 -25.880 14.058 1.00 34.86 O -ANISOU 2657 O HOH A 563 3567 5456 4221 -87 -40 -661 O -HETATM 2658 O HOH A 564 7.547 -48.328 -13.223 1.00 43.19 O -ANISOU 2658 O HOH A 564 8498 4300 3612 1980 -907 -702 O -HETATM 2659 O HOH A 565 8.484 -10.627 10.072 1.00 46.56 O -ANISOU 2659 O HOH A 565 5893 6087 5711 -2057 1316 -1985 O -HETATM 2660 O HOH A 566 18.843 -9.808 12.966 1.00 33.55 O -ANISOU 2660 O HOH A 566 3735 6661 2351 -1215 -712 138 O -HETATM 2661 O HOH A 567 31.224 -26.122 13.335 1.00 43.69 O -ANISOU 2661 O HOH A 567 6025 5716 4860 271 -2717 898 O -HETATM 2662 O HOH A 568 -2.257 -20.877 -5.869 1.00 39.42 O -ANISOU 2662 O HOH A 568 5183 7057 2738 -248 -1671 696 O -HETATM 2663 O HOH A 569 17.891 -11.964 4.457 1.00 37.23 O -ANISOU 2663 O HOH A 569 5841 2290 6016 -1305 -101 -1032 O -HETATM 2664 O HOH A 570 4.110 -35.284 25.684 1.00 43.16 O -ANISOU 2664 O HOH A 570 5839 4994 5565 -1210 -66 2002 O -HETATM 2665 O HOH A 571 0.614 -46.969 -6.234 1.00 44.66 O -ANISOU 2665 O HOH A 571 7427 3669 5872 -397 -1741 -1325 O -HETATM 2666 O HOH A 572 32.855 -18.969 -10.917 0.50 10.24 O -ANISOU 2666 O HOH A 572 1260 1349 1283 77 101 176 O -HETATM 2667 O HOH A 573 28.150 -37.210 10.917 0.50 34.05 O -ANISOU 2667 O HOH A 573 3122 2789 7028 288 934 -1619 O -HETATM 2668 O HOH A 574 -10.828 -27.867 1.175 1.00 29.94 O -ANISOU 2668 O HOH A 574 2913 4367 4097 1583 -1438 -2241 O -HETATM 2669 O HOH A 575 5.147 -39.106 22.476 1.00 33.46 O -ANISOU 2669 O HOH A 575 5408 3911 3396 -1595 -218 -895 O -HETATM 2670 O HOH A 576 4.204 -36.074 6.443 1.00 6.72 O -ANISOU 2670 O HOH A 576 897 1249 408 -175 -83 -9 O -HETATM 2671 O HOH A 577 -0.303 -41.360 17.631 1.00 25.12 O -ANISOU 2671 O HOH A 577 2027 4256 3260 -123 907 -942 O -HETATM 2672 O HOH A 578 -1.271 -18.491 -2.003 1.00 23.18 O -ANISOU 2672 O HOH A 578 3026 4463 1318 652 -475 -175 O -HETATM 2673 O HOH A 579 15.644 -42.059 -12.876 1.00 29.98 O -ANISOU 2673 O HOH A 579 3767 5921 1702 -170 570 149 O -HETATM 2674 O HOH A 580 34.030 -33.224 3.426 1.00 34.22 O -ANISOU 2674 O HOH A 580 2619 4763 5618 330 -885 -2848 O -HETATM 2675 O HOH A 581 8.367 -17.288 -0.981 1.00 32.02 O -ANISOU 2675 O HOH A 581 2298 4015 5855 -143 -428 227 O -HETATM 2676 O HOH A 582 -0.832 -43.302 -15.309 1.00 32.10 O -ANISOU 2676 O HOH A 582 3615 4924 3656 330 -1735 -1535 O -HETATM 2677 O HOH A 583 4.207 -45.900 -1.322 1.00 39.96 O -ANISOU 2677 O HOH A 583 6077 5561 3544 -48 1579 1267 O -HETATM 2678 O HOH A 584 -1.608 -7.829 3.412 1.00 39.43 O -ANISOU 2678 O HOH A 584 5014 2426 7540 -409 315 1411 O -HETATM 2679 O HOH A 585 1.258 -35.676 -10.121 1.00 37.50 O -ANISOU 2679 O HOH A 585 3758 6042 4450 -820 -2176 -798 O -HETATM 2680 O HOH A 586 13.530 -35.211 -20.307 1.00 43.13 O -ANISOU 2680 O HOH A 586 7730 4804 3854 -23 897 1317 O -HETATM 2681 O HOH A 587 23.849 -14.051 -4.040 1.00 44.08 O -ANISOU 2681 O HOH A 587 6028 2908 7811 -225 2501 150 O -HETATM 2682 O HOH A 588 36.025 -42.580 2.566 1.00 43.13 O -ANISOU 2682 O HOH A 588 4533 5430 6426 2043 1817 -637 O -HETATM 2683 O HOH A 589 26.165 -16.638 10.522 1.00 44.69 O -ANISOU 2683 O HOH A 589 3783 6885 6310 -1949 -1418 1356 O -HETATM 2684 O HOH A 590 -8.628 -44.197 -4.564 1.00 41.02 O -ANISOU 2684 O HOH A 590 4403 6521 4663 -51 542 -2300 O -HETATM 2685 O HOH A 591 10.992 -52.261 -1.201 1.00 37.46 O -ANISOU 2685 O HOH A 591 4804 4429 4999 395 626 151 O -HETATM 2686 O HOH A 592 19.654 -21.756 -12.148 1.00 40.02 O -ANISOU 2686 O HOH A 592 6643 4276 4288 1758 639 2051 O -HETATM 2687 O HOH A 593 21.259 -39.639 -18.841 1.00 42.25 O -ANISOU 2687 O HOH A 593 5211 6100 4740 1020 -710 -2532 O -HETATM 2688 O HOH A 594 38.330 -25.233 -19.511 1.00 43.60 O -ANISOU 2688 O HOH A 594 4688 6099 5780 -1239 -2224 -1136 O -HETATM 2689 O HOH A 595 8.421 -48.282 -0.325 1.00 40.37 O -ANISOU 2689 O HOH A 595 5192 5024 5121 -2185 813 -1077 O -HETATM 2690 O HOH A 596 -0.618 -43.357 1.723 1.00 13.67 O -ANISOU 2690 O HOH A 596 1772 1031 2391 -202 1075 -238 O -HETATM 2691 O HOH A 597 -15.404 -20.750 10.012 1.00 21.36 O -ANISOU 2691 O HOH A 597 3471 2782 1862 433 827 -488 O -HETATM 2692 O HOH A 598 3.974 -29.460 25.369 1.00 27.21 O -ANISOU 2692 O HOH A 598 2580 4946 2815 700 19 -1101 O -HETATM 2693 O HOH A 599 23.018 -50.934 1.706 1.00 17.86 O -ANISOU 2693 O HOH A 599 2349 1956 2482 289 -417 -215 O -HETATM 2694 O HOH A 600 3.317 -44.417 19.328 1.00 31.03 O -ANISOU 2694 O HOH A 600 5731 2532 3526 12 -1162 1235 O -HETATM 2695 O HOH A 601 45.441 -26.235 -10.917 0.50 32.86 O -ANISOU 2695 O HOH A 601 2613 3639 6235 888 1148 1988 O -HETATM 2696 O HOH A 602 30.506 -36.828 -11.796 1.00 7.04 O -ANISOU 2696 O HOH A 602 1198 1143 333 81 88 -17 O -HETATM 2697 O HOH A 603 -2.370 -7.893 7.340 1.00 34.31 O -ANISOU 2697 O HOH A 603 7012 2073 3952 -361 -1176 329 O -HETATM 2698 O HOH A 604 -3.100 -9.821 21.952 1.00 42.38 O -ANISOU 2698 O HOH A 604 6063 5532 4509 680 720 -2767 O -HETATM 2699 O HOH A 605 3.194 -32.183 -11.877 1.00 34.67 O -ANISOU 2699 O HOH A 605 3757 5627 3790 738 -1782 -1684 O -HETATM 2700 O HOH A 606 20.463 -46.549 -8.952 1.00 38.81 O -ANISOU 2700 O HOH A 606 4789 5238 4720 1816 -1230 -2690 O -HETATM 2701 O HOH A 607 -1.198 -44.160 -0.478 1.00 41.80 O -ANISOU 2701 O HOH A 607 7002 3611 5270 -186 -45 -2029 O -HETATM 2702 O HOH A 608 17.119 -24.491 -13.105 1.00 38.57 O -ANISOU 2702 O HOH A 608 6483 5180 2991 2896 471 1124 O -HETATM 2703 O HOH A 609 -1.105 -45.139 5.866 1.00 41.90 O -ANISOU 2703 O HOH A 609 5562 5474 4885 -3213 -441 -341 O -HETATM 2704 O HOH A 610 23.553 -11.349 1.897 1.00 40.94 O -ANISOU 2704 O HOH A 610 4682 4069 6802 -2524 475 38 O -HETATM 2705 O HOH A 611 -11.520 -10.582 10.259 1.00 42.72 O -ANISOU 2705 O HOH A 611 3134 5718 7378 1632 965 -8 O -HETATM 2706 O HOH A 612 -19.040 -23.368 10.713 1.00 41.43 O -ANISOU 2706 O HOH A 612 4452 5033 6256 -15 2083 -730 O -HETATM 2707 O HOH A 613 8.419 -13.756 0.390 1.00 49.70 O -ANISOU 2707 O HOH A 613 6187 5670 7026 1701 -2365 1880 O -HETATM 2708 O HOH A 614 -5.326 -15.081 21.497 1.00 45.98 O -ANISOU 2708 O HOH A 614 5551 6043 5878 1930 942 -2405 O -HETATM 2709 O HOH A 615 25.853 -12.626 7.656 1.00 44.47 O -ANISOU 2709 O HOH A 615 5920 6161 4816 -2731 -16 -1142 O -HETATM 2710 O HOH A 616 35.249 -33.781 -20.967 1.00 40.12 O -ANISOU 2710 O HOH A 616 5293 6366 3586 -1381 2218 -807 O -HETATM 2711 O HOH A 617 0.724 -6.878 15.846 1.00 44.08 O -ANISOU 2711 O HOH A 617 3783 5824 7142 761 682 -3194 O -HETATM 2712 O HOH A 618 -13.360 -12.332 10.334 1.00 41.37 O -ANISOU 2712 O HOH A 618 5483 4634 5601 1827 546 -739 O -HETATM 2713 O HOH A 619 29.435 -17.964 1.310 1.00 20.34 O -ANISOU 2713 O HOH A 619 3048 2551 2131 -781 849 -682 O -HETATM 2714 O HOH A 620 21.565 -12.064 9.569 1.00 23.11 O -ANISOU 2714 O HOH A 620 3099 3125 2556 244 244 -490 O -HETATM 2715 O HOH A 621 -13.300 -28.990 0.741 1.00 28.43 O -ANISOU 2715 O HOH A 621 1891 3536 5375 355 -858 -1860 O -HETATM 2716 O HOH A 622 8.578 -29.276 25.862 1.00 32.63 O -ANISOU 2716 O HOH A 622 4209 5186 3004 652 1144 1897 O -HETATM 2717 O HOH A 623 -13.955 -28.029 15.359 1.00 37.25 O -ANISOU 2717 O HOH A 623 4094 6243 3815 -695 2196 -316 O -HETATM 2718 O HOH A 624 31.016 -17.379 7.028 1.00 36.09 O -ANISOU 2718 O HOH A 624 5243 5243 3228 -1931 -215 -1147 O -HETATM 2719 O HOH A 625 17.849 -25.085 20.352 1.00 42.75 O -ANISOU 2719 O HOH A 625 5016 4886 6340 -2722 771 692 O -HETATM 2720 O HOH A 626 6.088 -25.412 27.177 1.00 36.55 O -ANISOU 2720 O HOH A 626 4256 6060 3571 638 1131 -1795 O -HETATM 2721 O HOH A 627 -3.141 -40.922 -10.454 1.00 38.25 O -ANISOU 2721 O HOH A 627 2765 6699 5070 -324 -229 -3119 O -HETATM 2722 O HOH A 628 -17.747 -31.999 11.879 1.00 45.47 O -ANISOU 2722 O HOH A 628 4101 7755 5421 945 938 1278 O -HETATM 2723 O HOH A 629 11.680 -44.241 -14.918 1.00 44.46 O -ANISOU 2723 O HOH A 629 4684 7423 4787 789 1964 427 O -HETATM 2724 O HOH A 630 -13.335 -19.325 14.507 1.00 39.40 O -ANISOU 2724 O HOH A 630 4210 5669 5093 -1968 1380 -100 O -HETATM 2725 O HOH A 631 7.226 -40.809 -15.492 1.00 42.62 O -ANISOU 2725 O HOH A 631 4860 7147 4188 -348 -2641 -405 O -HETATM 2726 O HOH A 632 6.360 -52.474 -9.387 1.00 46.78 O -ANISOU 2726 O HOH A 632 7439 4992 5342 -2347 135 -1026 O -HETATM 2727 O HOH A 633 1.267 -44.399 2.777 1.00 44.81 O -ANISOU 2727 O HOH A 633 5797 6509 4721 2639 1473 600 O -HETATM 2728 O HOH A 634 42.468 -27.590 -19.173 1.00 42.22 O -ANISOU 2728 O HOH A 634 6066 5357 4620 1318 1354 1546 O -HETATM 2729 O HOH A 635 14.194 -29.537 -19.623 1.00 47.24 O -ANISOU 2729 O HOH A 635 5262 7467 5219 1195 -2226 1589 O -HETATM 2730 O HOH A 636 6.571 -49.199 -1.908 1.00 44.48 O -ANISOU 2730 O HOH A 636 7532 3759 5609 -1682 609 1851 O -HETATM 2731 O HOH A 637 8.361 -52.155 -2.496 1.00 47.93 O -ANISOU 2731 O HOH A 637 7183 5787 5240 50 1654 2258 O -HETATM 2732 O HOH A 638 20.936 -14.509 13.581 1.00 19.78 O -ANISOU 2732 O HOH A 638 2858 2881 1777 -587 -102 -119 O -HETATM 2733 O HOH A 639 -14.685 -29.875 11.847 1.00 26.69 O -ANISOU 2733 O HOH A 639 2236 2954 4950 138 822 392 O -HETATM 2734 O HOH A 640 -8.439 -45.240 18.392 1.00 33.00 O -ANISOU 2734 O HOH A 640 4887 5518 2133 -862 -687 170 O -HETATM 2735 O HOH A 641 -13.267 -12.186 3.103 1.00 34.19 O -ANISOU 2735 O HOH A 641 3544 6504 2942 1155 -112 444 O -HETATM 2736 O HOH A 642 16.552 -20.219 20.152 1.00 34.27 O -ANISOU 2736 O HOH A 642 3827 4788 4407 -1522 978 -2523 O -HETATM 2737 O HOH A 643 25.056 -30.932 11.248 1.00 33.62 O -ANISOU 2737 O HOH A 643 3704 5872 3197 292 476 2311 O -HETATM 2738 O HOH A 644 16.685 -26.450 -14.890 1.00 33.09 O -ANISOU 2738 O HOH A 644 2520 5021 5033 824 653 1299 O -HETATM 2739 O HOH A 645 -2.156 -45.017 2.131 1.00 37.15 O -ANISOU 2739 O HOH A 645 4286 5413 4416 1127 750 -522 O -HETATM 2740 O HOH A 646 9.581 -33.409 -16.099 1.00 44.43 O -ANISOU 2740 O HOH A 646 5094 6940 4848 -171 -812 530 O -HETATM 2741 O HOH A 647 25.670 -30.660 14.481 1.00 39.57 O -ANISOU 2741 O HOH A 647 6155 4954 3926 -1733 -935 -143 O -HETATM 2742 O HOH A 648 4.576 -48.525 -5.955 1.00 38.68 O -ANISOU 2742 O HOH A 648 5152 4020 5523 336 -355 1225 O -HETATM 2743 O HOH A 649 2.989 -19.800 -8.408 1.00 40.30 O -ANISOU 2743 O HOH A 649 4576 5774 4964 627 300 920 O -HETATM 2744 O HOH A 650 -4.561 -7.824 8.460 1.00 38.93 O -ANISOU 2744 O HOH A 650 6646 2869 5278 1126 981 124 O -HETATM 2745 O HOH A 651 18.114 -39.595 -14.711 1.00 42.05 O -ANISOU 2745 O HOH A 651 6734 3973 5269 -364 -1003 -1680 O -HETATM 2746 O HOH A 652 -3.591 -44.638 -1.098 1.00 39.65 O -ANISOU 2746 O HOH A 652 5900 4129 5035 -1810 596 -960 O -HETATM 2747 O HOH A 653 8.315 -46.485 10.896 1.00 42.46 O -ANISOU 2747 O HOH A 653 5354 4740 6040 1922 1967 921 O -HETATM 2748 O HOH A 654 31.204 -22.513 -5.387 1.00 7.00 O -ANISOU 2748 O HOH A 654 1081 1102 477 -153 236 -21 O -HETATM 2749 O HOH A 655 0.272 -7.256 6.871 1.00 42.56 O -ANISOU 2749 O HOH A 655 6088 4912 5173 107 819 2038 O -HETATM 2750 O HOH A 656 25.900 -13.808 10.126 1.00 43.96 O -ANISOU 2750 O HOH A 656 5319 6924 4460 417 -968 -692 O -HETATM 2751 O HOH A 657 -15.389 -14.586 7.187 1.00 43.56 O -ANISOU 2751 O HOH A 657 4394 6646 5509 708 -412 -1541 O -HETATM 2752 O HOH A 658 26.412 -14.211 -8.228 1.00 41.52 O -ANISOU 2752 O HOH A 658 3793 6006 5979 1804 1055 468 O -HETATM 2753 O HOH A 659 30.634 -15.092 -1.509 1.00 43.86 O -ANISOU 2753 O HOH A 659 5771 5495 5398 165 953 1609 O -HETATM 2754 O HOH A 660 -0.967 -13.727 24.259 1.00 42.04 O -ANISOU 2754 O HOH A 660 5995 5931 4046 -475 796 -2140 O -HETATM 2755 O HOH A 661 -5.780 -9.325 5.406 1.00 44.70 O -ANISOU 2755 O HOH A 661 5150 6120 5712 369 29 1444 O -HETATM 2756 O HOH A 662 21.096 -13.129 -2.829 1.00 45.74 O -ANISOU 2756 O HOH A 662 6872 5420 5086 -1236 1372 711 O -HETATM 2757 O HOH A 663 38.626 -24.916 3.309 1.00 44.86 O -ANISOU 2757 O HOH A 663 5814 6220 5011 163 -1096 3 O -HETATM 2758 O HOH A 664 6.390 -10.214 15.387 1.00 46.40 O -ANISOU 2758 O HOH A 664 4893 6595 6142 -914 -391 14 O -HETATM 2759 O HOH A 665 -19.550 -25.567 12.046 1.00 46.96 O -ANISOU 2759 O HOH A 665 5224 7003 5614 295 927 135 O -HETATM 2760 O HOH A 666 18.894 -14.947 -3.814 1.00 24.41 O -ANISOU 2760 O HOH A 666 3170 2940 3166 520 1784 845 O -HETATM 2761 O HOH A 667 22.463 -51.593 4.272 1.00 21.74 O -ANISOU 2761 O HOH A 667 2771 2216 3274 420 56 -205 O -HETATM 2762 O HOH A 668 34.191 -38.116 3.485 1.00 26.57 O -ANISOU 2762 O HOH A 668 2442 3867 3786 410 -542 -704 O -HETATM 2763 O HOH A 669 8.534 -46.051 4.130 1.00 32.78 O -ANISOU 2763 O HOH A 669 4949 3516 3989 -817 319 500 O -HETATM 2764 O HOH A 670 0.699 -42.717 -0.211 1.00 29.84 O -ANISOU 2764 O HOH A 670 3764 3583 3992 -270 141 -259 O -HETATM 2765 O HOH A 671 20.412 -31.003 13.633 1.00 30.96 O -ANISOU 2765 O HOH A 671 3977 4038 3750 -440 -80 204 O -HETATM 2766 O HOH A 672 9.689 -11.447 18.527 1.00 32.34 O -ANISOU 2766 O HOH A 672 4036 4157 4097 -252 -229 -238 O -HETATM 2767 O HOH A 673 30.463 -21.015 -7.724 1.00 7.71 O -ANISOU 2767 O HOH A 673 1293 1063 575 -62 282 197 O -HETATM 2768 O HOH A 674 13.162 -33.643 12.352 1.00 9.45 O -ANISOU 2768 O HOH A 674 1093 1757 740 55 58 -19 O -HETATM 2769 O HOH A 675 30.244 -49.143 -3.311 1.00 7.97 O -ANISOU 2769 O HOH A 675 1086 1250 692 76 258 65 O -HETATM 2770 O HOH A 676 27.103 -50.445 3.275 1.00 7.84 O -ANISOU 2770 O HOH A 676 1442 933 605 19 147 46 O -HETATM 2771 O HOH A 677 19.240 -46.441 -3.361 1.00 7.82 O -ANISOU 2771 O HOH A 677 1224 1070 677 94 -169 -30 O -HETATM 2772 O HOH A 678 9.303 -25.607 -8.146 1.00 10.75 O -ANISOU 2772 O HOH A 678 1393 2034 658 365 -78 44 O -HETATM 2773 O HOH A 679 7.761 -15.235 10.698 1.00 11.19 O -ANISOU 2773 O HOH A 679 1478 1761 1012 -468 328 -363 O -HETATM 2774 O HOH A 680 10.446 -30.726 10.230 1.00 6.50 O -ANISOU 2774 O HOH A 680 923 1083 463 -234 -67 -109 O -HETATM 2775 O HOH A 681 24.717 -25.131 -7.005 1.00 8.90 O -ANISOU 2775 O HOH A 681 1039 1486 859 -92 349 148 O -HETATM 2776 O HOH A 682 26.543 -38.450 8.779 1.00 8.37 O -ANISOU 2776 O HOH A 682 1083 1349 747 -26 -86 105 O -HETATM 2777 O HOH A 683 20.272 -40.749 -4.721 1.00 7.92 O -ANISOU 2777 O HOH A 683 891 1155 964 16 -180 259 O -HETATM 2778 O HOH A 684 24.518 -25.748 -4.360 1.00 11.52 O -ANISOU 2778 O HOH A 684 2013 1570 794 -816 363 -251 O -HETATM 2779 O HOH A 685 19.585 -50.102 3.395 1.00 6.89 O -ANISOU 2779 O HOH A 685 995 1214 409 -42 124 223 O -HETATM 2780 O HOH A 686 20.000 -16.791 10.971 1.00 9.10 O -ANISOU 2780 O HOH A 686 1262 1372 826 -86 116 -368 O -HETATM 2781 O HOH A 687 25.996 -51.697 -1.873 1.00 7.72 O -ANISOU 2781 O HOH A 687 1114 1102 717 -26 35 37 O -HETATM 2782 O HOH A 688 -17.880 -28.790 3.512 1.00 9.47 O -ANISOU 2782 O HOH A 688 1278 1510 811 25 -330 -122 O -HETATM 2783 O HOH A 689 19.877 -48.308 5.593 1.00 7.92 O -ANISOU 2783 O HOH A 689 1184 1345 479 -107 -61 -34 O -HETATM 2784 O HOH A 690 22.708 -36.133 -15.623 1.00 10.92 O -ANISOU 2784 O HOH A 690 1752 1709 686 -105 88 103 O -HETATM 2785 O HOH A 691 -3.865 -32.046 20.657 1.00 10.66 O -ANISOU 2785 O HOH A 691 1271 1623 1155 95 237 -70 O -HETATM 2786 O HOH A 692 5.246 -31.315 -10.252 1.00 11.58 O -ANISOU 2786 O HOH A 692 1766 1699 937 287 -142 96 O -HETATM 2787 O HOH A 693 24.621 -30.817 7.029 1.00 6.86 O -ANISOU 2787 O HOH A 693 1192 1068 348 -90 135 56 O -HETATM 2788 O HOH A 694 11.937 -14.476 10.261 1.00 11.22 O -ANISOU 2788 O HOH A 694 1391 1466 1406 20 122 -361 O -HETATM 2789 O HOH A 695 23.316 -22.510 -9.876 1.00 11.57 O -ANISOU 2789 O HOH A 695 1528 1716 1154 -176 251 78 O -HETATM 2790 O HOH A 696 34.776 -37.513 -13.517 1.00 10.52 O -ANISOU 2790 O HOH A 696 1776 1319 903 402 -118 -6 O -HETATM 2791 O HOH A 697 19.343 -20.346 4.767 1.00 7.43 O -ANISOU 2791 O HOH A 697 1049 1215 560 106 -109 -101 O -HETATM 2792 O HOH A 698 23.365 -45.716 7.187 1.00 9.12 O -ANISOU 2792 O HOH A 698 946 2002 516 -156 3 -49 O -HETATM 2793 O HOH A 699 27.143 -18.466 -8.640 1.00 15.62 O -ANISOU 2793 O HOH A 699 1537 1793 2605 175 529 877 O -HETATM 2794 O HOH A 700 10.926 -41.762 16.658 1.00 10.60 O -ANISOU 2794 O HOH A 700 1226 1282 1521 -50 -29 71 O -HETATM 2795 O HOH A 701 6.787 -18.652 2.749 1.00 10.61 O -ANISOU 2795 O HOH A 701 1130 1341 1562 202 -67 94 O -HETATM 2796 O HOH A 702 16.149 -35.861 13.437 1.00 9.53 O -ANISOU 2796 O HOH A 702 1647 1268 706 -118 219 111 O -HETATM 2797 O HOH A 703 13.563 -32.010 -10.681 1.00 10.17 O -ANISOU 2797 O HOH A 703 1638 1721 503 -48 -163 123 O -HETATM 2798 O HOH A 704 26.078 -22.943 4.857 1.00 14.41 O -ANISOU 2798 O HOH A 704 1922 2325 1228 -1063 -334 393 O -HETATM 2799 O HOH A 705 -1.991 -37.690 1.818 1.00 8.80 O -ANISOU 2799 O HOH A 705 1070 1378 897 -48 -79 -126 O -HETATM 2800 O HOH A 706 -0.312 -36.996 5.469 1.00 9.13 O -ANISOU 2800 O HOH A 706 980 1314 1175 -94 154 40 O -HETATM 2801 O HOH A 707 25.466 -16.729 2.044 1.00 16.22 O -ANISOU 2801 O HOH A 707 2916 1561 1685 115 -77 -131 O -HETATM 2802 O HOH A 708 22.926 -23.052 -7.273 1.00 9.64 O -ANISOU 2802 O HOH A 708 1153 1496 1015 -22 229 154 O -HETATM 2803 O HOH A 709 15.502 -32.969 -12.229 1.00 11.06 O -ANISOU 2803 O HOH A 709 1321 2031 850 30 -295 -348 O -HETATM 2804 O HOH A 710 14.417 -31.833 20.863 1.00 9.39 O -ANISOU 2804 O HOH A 710 1375 1674 517 335 -68 152 O -HETATM 2805 O HOH A 711 0.043 -14.395 1.802 1.00 10.72 O -ANISOU 2805 O HOH A 711 1196 1617 1260 107 -239 74 O -HETATM 2806 O HOH A 712 24.566 -18.469 -5.265 1.00 11.48 O -ANISOU 2806 O HOH A 712 1364 1508 1491 163 34 107 O -HETATM 2807 O HOH A 713 6.651 -16.312 4.093 1.00 11.58 O -ANISOU 2807 O HOH A 713 1040 1665 1695 147 -11 -360 O -HETATM 2808 O HOH A 714 11.271 -31.209 -8.379 1.00 10.47 O -ANISOU 2808 O HOH A 714 1664 1695 621 185 -382 57 O -HETATM 2809 O HOH A 715 13.995 -36.331 15.148 1.00 10.07 O -ANISOU 2809 O HOH A 715 1332 1448 1046 -4 99 330 O -HETATM 2810 O HOH A 716 20.022 -31.884 -0.619 1.00 8.05 O -ANISOU 2810 O HOH A 716 1036 1255 766 -157 -111 114 O -HETATM 2811 O HOH A 717 8.077 -33.610 -6.229 1.00 12.13 O -ANISOU 2811 O HOH A 717 1515 2165 930 -668 238 -573 O -HETATM 2812 O HOH A 718 26.316 -42.796 -15.502 1.00 14.80 O -ANISOU 2812 O HOH A 718 2792 1711 1120 -217 521 -309 O -HETATM 2813 O HOH A 719 18.935 -21.415 -7.506 1.00 17.36 O -ANISOU 2813 O HOH A 719 2026 1741 2828 291 9 504 O -HETATM 2814 O HOH A 720 16.932 -50.787 2.851 1.00 9.84 O -ANISOU 2814 O HOH A 720 1373 1224 1143 63 -151 200 O -HETATM 2815 O HOH A 721 31.068 -48.831 2.937 1.00 12.49 O -ANISOU 2815 O HOH A 721 1758 1530 1459 -39 -151 94 O -HETATM 2816 O HOH A 722 26.292 -16.692 -6.569 1.00 18.53 O -ANISOU 2816 O HOH A 722 3126 1905 2008 279 975 389 O -HETATM 2817 O HOH A 723 29.632 -40.093 -13.547 1.00 14.29 O -ANISOU 2817 O HOH A 723 2011 1460 1961 45 -22 -125 O -HETATM 2818 O HOH A 724 32.395 -23.310 1.466 1.00 14.22 O -ANISOU 2818 O HOH A 724 1806 2746 852 -534 23 -11 O -HETATM 2819 O HOH A 725 15.869 -45.572 -9.435 1.00 17.37 O -ANISOU 2819 O HOH A 725 3503 1977 1118 -179 -2 -496 O -HETATM 2820 O HOH A 726 8.567 -13.885 12.905 1.00 16.59 O -ANISOU 2820 O HOH A 726 1695 2809 1799 -732 433 -1206 O -HETATM 2821 O HOH A 727 10.453 -22.942 19.030 1.00 10.93 O -ANISOU 2821 O HOH A 727 1966 1376 811 -323 -198 -65 O -HETATM 2822 O HOH A 728 6.539 -19.790 -1.507 1.00 19.34 O -ANISOU 2822 O HOH A 728 4245 1859 1245 1325 -245 -94 O -HETATM 2823 O HOH A 729 -5.438 -24.488 21.353 1.00 14.82 O -ANISOU 2823 O HOH A 729 1804 2118 1707 352 568 -96 O -HETATM 2824 O HOH A 730 20.485 -23.452 -6.338 1.00 10.02 O -ANISOU 2824 O HOH A 730 1553 1203 1053 -129 442 122 O -HETATM 2825 O HOH A 731 3.290 -40.844 3.508 1.00 14.08 O -ANISOU 2825 O HOH A 731 1784 1506 2059 -550 -735 180 O -HETATM 2826 O HOH A 732 -6.183 -31.489 19.195 1.00 16.52 O -ANISOU 2826 O HOH A 732 1953 2314 2011 -243 -95 298 O -HETATM 2827 O HOH A 733 32.149 -41.737 4.853 1.00 16.88 O -ANISOU 2827 O HOH A 733 2049 2840 1524 789 -464 153 O -HETATM 2828 O HOH A 734 16.315 -50.607 0.096 1.00 13.84 O -ANISOU 2828 O HOH A 734 2007 1618 1635 -84 -350 98 O -HETATM 2829 O HOH A 735 -2.866 -15.871 21.046 1.00 21.44 O -ANISOU 2829 O HOH A 735 3263 2354 2528 549 649 -467 O -HETATM 2830 O HOH A 736 1.243 -38.942 14.739 1.00 11.20 O -ANISOU 2830 O HOH A 736 2013 1317 926 -502 -378 65 O -HETATM 2831 O HOH A 737 1.118 -15.154 -0.671 1.00 18.85 O -ANISOU 2831 O HOH A 737 3180 1828 2155 155 -455 199 O -HETATM 2832 O HOH A 738 -0.892 -34.772 3.906 1.00 8.86 O -ANISOU 2832 O HOH A 738 1030 1491 846 -145 -194 -70 O -HETATM 2833 O HOH A 739 20.862 -47.288 -5.407 1.00 16.00 O -ANISOU 2833 O HOH A 739 2055 1797 2228 693 1097 921 O -HETATM 2834 O HOH A 740 21.216 -20.005 -8.005 1.00 16.05 O -ANISOU 2834 O HOH A 740 2178 2444 1478 -184 37 272 O -HETATM 2835 O HOH A 741 -13.546 -31.320 2.334 1.00 13.25 O -ANISOU 2835 O HOH A 741 1132 2320 1585 -22 -267 -490 O -HETATM 2836 O HOH A 742 23.986 -19.753 -7.587 1.00 12.80 O -ANISOU 2836 O HOH A 742 1558 1482 1823 265 329 336 O -HETATM 2837 O HOH A 743 32.096 -18.417 -3.957 1.00 14.20 O -ANISOU 2837 O HOH A 743 2245 1897 1254 59 433 240 O -HETATM 2838 O HOH A 744 19.002 -33.204 13.862 1.00 11.10 O -ANISOU 2838 O HOH A 744 1677 1759 781 -217 24 -197 O -HETATM 2839 O HOH A 745 -1.947 -28.355 -5.901 1.00 17.65 O -ANISOU 2839 O HOH A 745 1196 3596 1914 161 -501 -408 O -HETATM 2840 O HOH A 746 25.379 -55.563 -4.978 1.00 16.72 O -ANISOU 2840 O HOH A 746 1793 1942 2617 216 -207 -611 O -HETATM 2841 O HOH A 747 -2.660 -18.610 21.422 1.00 17.26 O -ANISOU 2841 O HOH A 747 2938 1881 1738 30 1174 -332 O -HETATM 2842 O HOH A 748 7.484 -29.632 -8.698 1.00 10.92 O -ANISOU 2842 O HOH A 748 1315 2026 810 63 -186 -281 O -HETATM 2843 O HOH A 749 28.871 -35.346 -18.311 1.00 14.91 O -ANISOU 2843 O HOH A 749 1781 2891 993 364 73 -591 O -HETATM 2844 O HOH A 750 32.775 -24.911 5.552 1.00 16.21 O -ANISOU 2844 O HOH A 750 1739 2576 1846 353 -556 -633 O -HETATM 2845 O HOH A 751 36.757 -18.539 -5.183 1.00 16.11 O -ANISOU 2845 O HOH A 751 2467 1747 1908 -347 -401 -148 O -HETATM 2846 O HOH A 752 15.362 -24.571 21.084 1.00 14.44 O -ANISOU 2846 O HOH A 752 2490 1777 1221 -204 17 -448 O -HETATM 2847 O HOH A 753 -3.620 -12.067 2.451 1.00 18.98 O -ANISOU 2847 O HOH A 753 2627 1603 2984 571 -608 84 O -HETATM 2848 O HOH A 754 32.221 -38.308 -7.693 1.00 19.05 O -ANISOU 2848 O HOH A 754 3738 1889 1610 -399 719 -283 O -HETATM 2849 O HOH A 755 15.616 -26.791 -11.454 1.00 20.70 O -ANISOU 2849 O HOH A 755 3484 3078 1303 19 -19 288 O -HETATM 2850 O HOH A 756 15.555 -19.822 15.349 1.00 14.92 O -ANISOU 2850 O HOH A 756 2330 2005 1333 -217 208 -638 O -HETATM 2851 O HOH A 757 5.802 -46.731 -10.998 1.00 18.56 O -ANISOU 2851 O HOH A 757 2431 2061 2561 -292 -999 -538 O -HETATM 2852 O HOH A 758 10.536 -18.217 22.314 1.00 16.82 O -ANISOU 2852 O HOH A 758 1923 2968 1498 -218 -292 -850 O -HETATM 2853 O HOH A 759 1.466 -23.421 22.263 1.00 16.31 O -ANISOU 2853 O HOH A 759 2427 2432 1337 -187 -400 -587 O -HETATM 2854 O HOH A 760 35.369 -36.737 0.931 1.00 16.77 O -ANISOU 2854 O HOH A 760 1893 2354 2123 -75 -1054 241 O -HETATM 2855 O HOH A 761 17.160 -47.897 6.357 1.00 10.46 O -ANISOU 2855 O HOH A 761 1569 1657 749 -6 -201 153 O -HETATM 2856 O HOH A 762 -17.987 -21.761 8.642 1.00 20.96 O -ANISOU 2856 O HOH A 762 2092 2923 2949 472 1036 -861 O -HETATM 2857 O HOH A 763 5.431 -18.420 0.397 1.00 17.43 O -ANISOU 2857 O HOH A 763 2845 1980 1799 730 -467 -52 O -HETATM 2858 O HOH A 764 17.297 -20.010 -5.645 1.00 19.42 O -ANISOU 2858 O HOH A 764 2692 2925 1762 -440 -124 390 O -HETATM 2859 O HOH A 765 15.142 -16.713 12.107 1.00 26.32 O -ANISOU 2859 O HOH A 765 1751 2551 5699 -69 -145 -1692 O -HETATM 2860 O HOH A 766 25.890 -21.683 -10.454 1.00 13.75 O -ANISOU 2860 O HOH A 766 1715 2132 1377 -342 418 -79 O -HETATM 2861 O HOH A 767 19.472 -26.128 18.714 1.00 20.14 O -ANISOU 2861 O HOH A 767 2393 2269 2991 -120 -395 -11 O -HETATM 2862 O HOH A 768 11.534 -28.861 -9.869 1.00 19.81 O -ANISOU 2862 O HOH A 768 3499 1982 2047 271 470 423 O -HETATM 2863 O HOH A 769 24.320 -30.871 -0.318 1.00 10.64 O -ANISOU 2863 O HOH A 769 1490 1268 1287 -212 45 360 O -HETATM 2864 O HOH A 770 33.850 -38.584 -5.151 1.00 20.69 O -ANISOU 2864 O HOH A 770 2917 1509 3435 366 1313 -193 O -HETATM 2865 O HOH A 771 0.249 -41.051 2.311 1.00 19.86 O -ANISOU 2865 O HOH A 771 2877 1568 3102 52 1192 -309 O -HETATM 2866 O HOH A 772 -5.770 -17.461 -0.882 1.00 21.57 O -ANISOU 2866 O HOH A 772 2661 3015 2520 32 -1225 846 O -HETATM 2867 O HOH A 773 28.883 -45.291 1.475 1.00 15.83 O -ANISOU 2867 O HOH A 773 2293 2393 1328 1252 -663 -650 O -HETATM 2868 O HOH A 774 14.304 -25.165 -9.516 1.00 19.66 O -ANISOU 2868 O HOH A 774 1873 2228 3368 227 813 554 O -HETATM 2869 O HOH A 775 25.181 -15.504 4.695 1.00 17.04 O -ANISOU 2869 O HOH A 775 3067 1804 1603 -48 -128 512 O -HETATM 2870 O HOH A 776 3.176 -35.803 21.089 1.00 17.70 O -ANISOU 2870 O HOH A 776 2433 3120 1174 -507 153 651 O -HETATM 2871 O HOH A 777 21.652 -16.926 -0.971 1.00 22.46 O -ANISOU 2871 O HOH A 777 3059 1585 3892 -257 -2013 220 O -HETATM 2872 O HOH A 778 14.110 -21.130 17.297 1.00 16.83 O -ANISOU 2872 O HOH A 778 1756 2920 1717 388 10 -123 O -HETATM 2873 O HOH A 779 -12.051 -33.326 16.646 1.00 21.77 O -ANISOU 2873 O HOH A 779 1944 3416 2912 -370 115 1223 O -HETATM 2874 O HOH A 780 -10.134 -14.169 15.675 1.00 19.58 O -ANISOU 2874 O HOH A 780 2346 1850 3242 -47 595 7 O -HETATM 2875 O HOH A 781 29.520 -25.760 9.472 1.00 15.29 O -ANISOU 2875 O HOH A 781 1653 2762 1393 224 -637 -646 O -HETATM 2876 O HOH A 782 32.835 -38.276 -11.554 1.00 14.50 O -ANISOU 2876 O HOH A 782 2415 1639 1454 504 123 249 O -HETATM 2877 O HOH A 783 -5.585 -24.298 -4.272 1.00 26.82 O -ANISOU 2877 O HOH A 783 3306 4223 2661 -12 -1234 617 O -HETATM 2878 O HOH A 784 -12.303 -17.250 13.269 1.00 18.60 O -ANISOU 2878 O HOH A 784 1724 2576 2765 300 407 -614 O -HETATM 2879 O HOH A 785 8.302 -42.982 10.717 1.00 16.62 O -ANISOU 2879 O HOH A 785 1460 3649 1207 -131 79 244 O -HETATM 2880 O HOH A 786 -2.924 -7.484 18.730 1.00 23.84 O -ANISOU 2880 O HOH A 786 4318 2445 2295 62 449 -691 O -HETATM 2881 O HOH A 787 12.929 -19.985 20.508 1.00 17.77 O -ANISOU 2881 O HOH A 787 2943 2411 1397 -1012 -403 -239 O -HETATM 2882 O HOH A 788 31.512 -20.714 1.928 1.00 19.06 O -ANISOU 2882 O HOH A 788 2488 3024 1730 -10 454 -834 O -HETATM 2883 O HOH A 789 -5.398 -46.033 15.523 1.00 16.54 O -ANISOU 2883 O HOH A 789 1643 2006 2634 -246 130 473 O -HETATM 2884 O HOH A 790 -9.030 -15.369 -0.081 1.00 31.92 O -ANISOU 2884 O HOH A 790 3775 3899 4453 -950 -2209 1514 O -HETATM 2885 O HOH A 791 9.083 -45.922 1.135 1.00 23.29 O -ANISOU 2885 O HOH A 791 2623 2378 3847 -1042 1434 -704 O -HETATM 2886 O HOH A 792 28.063 -37.756 -19.614 1.00 21.51 O -ANISOU 2886 O HOH A 792 3307 3120 1747 -284 702 -737 O -HETATM 2887 O HOH A 793 8.370 -50.770 -5.154 1.00 21.14 O -ANISOU 2887 O HOH A 793 2074 1644 4314 -340 154 30 O -HETATM 2888 O HOH A 794 3.081 -43.849 7.003 1.00 21.60 O -ANISOU 2888 O HOH A 794 2162 2893 3152 -1020 1065 -1350 O -HETATM 2889 O HOH A 795 4.791 -42.928 4.642 1.00 16.04 O -ANISOU 2889 O HOH A 795 1154 2041 2900 -136 197 -382 O -HETATM 2890 O HOH A 796 -8.046 -20.270 19.391 1.00 20.79 O -ANISOU 2890 O HOH A 796 3618 2581 1700 -412 -308 -646 O -HETATM 2891 O HOH A 797 17.845 -17.442 12.552 1.00 18.78 O -ANISOU 2891 O HOH A 797 1799 3003 2331 -538 559 -905 O -HETATM 2892 O HOH A 798 27.451 -23.371 12.403 1.00 18.45 O -ANISOU 2892 O HOH A 798 1920 3389 1700 -755 170 -617 O -HETATM 2893 O HOH A 799 20.444 -14.473 -0.661 1.00 16.64 O -ANISOU 2893 O HOH A 799 2028 1743 2552 51 575 283 O -HETATM 2894 O HOH A 800 27.672 -15.402 -2.312 1.00 26.70 O -ANISOU 2894 O HOH A 800 5233 1598 3314 -453 1534 -142 O -HETATM 2895 O HOH A 801 25.200 -41.744 -18.538 1.00 27.50 O -ANISOU 2895 O HOH A 801 4587 3222 2638 -874 1054 -1405 O -HETATM 2896 O HOH A 802 -5.072 -11.482 21.584 1.00 22.79 O -ANISOU 2896 O HOH A 802 3023 3779 1856 620 192 -1020 O -HETATM 2897 O HOH A 803 12.395 -11.873 9.774 1.00 28.21 O -ANISOU 2897 O HOH A 803 4831 2196 3690 -494 1028 -345 O -HETATM 2898 O HOH A 804 0.823 -37.213 21.132 1.00 19.79 O -ANISOU 2898 O HOH A 804 3177 2793 1549 934 939 595 O -HETATM 2899 O HOH A 805 0.322 -42.638 -2.670 1.00 25.71 O -ANISOU 2899 O HOH A 805 2422 2023 5324 -333 1435 311 O -HETATM 2900 O HOH A 806 16.237 -48.371 -9.686 1.00 27.40 O -ANISOU 2900 O HOH A 806 3491 2792 4127 -683 1290 -1772 O -HETATM 2901 O HOH A 807 -8.483 -30.630 20.003 1.00 31.27 O -ANISOU 2901 O HOH A 807 3846 3717 4319 1591 2124 1861 O -HETATM 2902 O HOH A 808 31.784 -21.930 -15.791 1.00 16.90 O -ANISOU 2902 O HOH A 808 2484 1482 2455 8 924 326 O -HETATM 2903 O HOH A 809 7.582 -47.066 14.000 1.00 26.69 O -ANISOU 2903 O HOH A 809 3388 1828 4927 770 -936 136 O -HETATM 2904 O HOH A 810 -14.625 -39.361 11.856 1.00 17.20 O -ANISOU 2904 O HOH A 810 2141 1844 2549 -286 -305 101 O -HETATM 2905 O HOH A 811 -0.578 -10.988 22.091 1.00 24.43 O -ANISOU 2905 O HOH A 811 3211 3140 2933 636 68 -1693 O -HETATM 2906 O HOH A 812 -2.607 -30.416 -4.229 1.00 21.16 O -ANISOU 2906 O HOH A 812 2530 3847 1663 -302 -617 -224 O -HETATM 2907 O HOH A 813 7.001 -44.724 7.781 1.00 23.98 O -ANISOU 2907 O HOH A 813 4833 1818 2460 -134 1618 261 O -HETATM 2908 O HOH A 814 5.651 -36.659 21.645 1.00 23.52 O -ANISOU 2908 O HOH A 814 2358 4278 2299 529 729 1474 O -HETATM 2909 O HOH A 815 19.629 -54.269 -5.131 1.00 24.26 O -ANISOU 2909 O HOH A 815 2205 2443 4568 -46 -1191 -408 O -HETATM 2910 O HOH A 816 3.991 -26.558 23.247 1.00 24.65 O -ANISOU 2910 O HOH A 816 3543 3827 1997 -1230 752 -1214 O -HETATM 2911 O HOH A 817 13.511 -33.908 16.137 1.00 15.41 O -ANISOU 2911 O HOH A 817 1952 1848 2057 -106 -355 -163 O -HETATM 2912 O HOH A 818 19.975 -14.072 10.433 1.00 17.39 O -ANISOU 2912 O HOH A 818 2722 1418 2467 51 387 -159 O -HETATM 2913 O HOH A 819 8.278 -40.165 -11.024 1.00 25.09 O -ANISOU 2913 O HOH A 819 2455 4299 2779 -646 71 -1693 O -HETATM 2914 O HOH A 820 10.004 -42.990 8.479 1.00 18.20 O -ANISOU 2914 O HOH A 820 2026 3131 1757 404 459 659 O -HETATM 2915 O HOH A 821 27.171 -28.074 11.960 1.00 34.67 O -ANISOU 2915 O HOH A 821 6002 3815 3355 1104 -36 691 O -HETATM 2916 O HOH A 822 -5.368 -13.080 19.398 1.00 23.94 O -ANISOU 2916 O HOH A 822 2971 3435 2689 -456 1366 -1180 O -HETATM 2917 O HOH A 823 -5.640 -6.035 15.767 1.00 29.08 O -ANISOU 2917 O HOH A 823 3424 2165 5462 367 413 209 O -HETATM 2918 O HOH A 824 -7.799 -12.939 2.984 1.00 29.86 O -ANISOU 2918 O HOH A 824 2972 2321 6053 639 -637 205 O -HETATM 2919 O HOH A 825 1.045 -41.332 5.056 1.00 21.53 O -ANISOU 2919 O HOH A 825 1378 3897 2907 194 48 -1679 O -HETATM 2920 O HOH A 826 36.372 -36.795 -3.019 1.00 25.02 O -ANISOU 2920 O HOH A 826 1934 4288 3283 1110 -284 965 O -HETATM 2921 O HOH A 827 33.360 -27.465 6.214 1.00 22.67 O -ANISOU 2921 O HOH A 827 3230 3067 2316 102 -925 423 O -HETATM 2922 O HOH A 828 9.654 -15.080 8.740 1.00 9.78 O -ANISOU 2922 O HOH A 828 1265 1391 1060 -45 362 -188 O -HETATM 2923 O HOH A 829 32.220 -17.026 -6.374 1.00 10.88 O -ANISOU 2923 O HOH A 829 1616 1374 1142 -107 226 141 O -HETATM 2924 O HOH A 830 29.337 -17.115 -9.558 1.00 11.05 O -ANISOU 2924 O HOH A 830 1553 1391 1253 9 402 323 O -HETATM 2925 O HOH A 831 31.465 -18.542 -8.561 1.00 10.64 O -ANISOU 2925 O HOH A 831 1647 1305 1090 -142 -53 437 O -HETATM 2926 O HOH A 832 36.291 -18.131 -8.267 1.00 14.86 O -ANISOU 2926 O HOH A 832 1803 1322 2522 -270 -593 723 O -HETATM 2927 O HOH A 833 28.944 -42.451 -14.669 1.00 17.79 O -ANISOU 2927 O HOH A 833 2545 2391 1822 -335 557 -768 O -HETATM 2928 O HOH A 834 11.993 -26.372 -8.815 1.00 14.99 O -ANISOU 2928 O HOH A 834 1544 2565 1585 102 204 165 O -HETATM 2929 O HOH A 835 11.267 -14.443 12.892 1.00 15.80 O -ANISOU 2929 O HOH A 835 2264 1768 1974 -273 136 -263 O -HETATM 2930 O HOH A 836 30.793 -39.310 -16.101 1.00 16.36 O -ANISOU 2930 O HOH A 836 2064 1998 2153 353 -180 -518 O -HETATM 2931 O HOH A 837 29.123 -21.488 11.286 1.00 20.18 O -ANISOU 2931 O HOH A 837 1613 3370 2684 -498 -245 241 O -HETATM 2932 O HOH A 838 34.331 -24.246 3.183 1.00 19.30 O -ANISOU 2932 O HOH A 838 2864 2977 1491 -369 -800 -104 O -HETATM 2933 O HOH A 839 -9.498 -41.486 15.284 1.00 16.60 O -ANISOU 2933 O HOH A 839 1890 1712 2704 -314 156 -213 O -HETATM 2934 O HOH A 840 17.897 -21.347 15.658 1.00 19.78 O -ANISOU 2934 O HOH A 840 2168 4087 1260 22 -123 -723 O -HETATM 2935 O HOH A 841 39.158 -17.449 -6.003 1.00 17.20 O -ANISOU 2935 O HOH A 841 2006 3181 1350 -810 -210 684 O -HETATM 2936 O HOH A 842 -12.516 -15.073 14.971 1.00 24.57 O -ANISOU 2936 O HOH A 842 2287 3148 3899 -204 511 -1159 O -HETATM 2937 O HOH A 843 -12.853 -40.230 16.556 1.00 18.77 O -ANISOU 2937 O HOH A 843 2430 2748 1956 -634 -218 56 O -HETATM 2938 O HOH A 844 6.355 -44.957 0.344 1.00 24.78 O -ANISOU 2938 O HOH A 844 2833 3016 3564 408 -137 -222 O -HETATM 2939 O HOH A 845 1.821 -20.708 22.108 1.00 21.67 O -ANISOU 2939 O HOH A 845 3426 3279 1528 -1041 -240 165 O -HETATM 2940 O HOH A 846 -0.614 -44.370 -6.837 1.00 23.61 O -ANISOU 2940 O HOH A 846 2503 3062 3406 -881 503 -335 O -HETATM 2941 O HOH A 847 16.784 -28.297 -19.761 1.00 18.74 O -ANISOU 2941 O HOH A 847 2517 3158 1445 37 -878 522 O -HETATM 2942 O HOH A 848 -12.509 -20.884 16.638 1.00 21.21 O -ANISOU 2942 O HOH A 848 2045 2744 3269 399 688 -363 O -HETATM 2943 O HOH A 849 -0.568 -50.399 16.484 1.00 29.00 O -ANISOU 2943 O HOH A 849 3223 1820 5976 -623 185 504 O -HETATM 2944 O HOH A 850 31.879 -37.833 -19.471 1.00 23.56 O -ANISOU 2944 O HOH A 850 4008 2665 2277 -288 234 -884 O -HETATM 2945 O HOH A 851 15.308 -22.708 -9.273 1.00 23.86 O -ANISOU 2945 O HOH A 851 2564 3693 2808 399 -643 677 O -HETATM 2946 O HOH A 852 21.615 -20.841 -11.025 1.00 26.38 O -ANISOU 2946 O HOH A 852 2310 3706 4006 865 371 2070 O -HETATM 2947 O HOH A 853 -11.581 -35.904 0.764 1.00 23.39 O -ANISOU 2947 O HOH A 853 1522 2888 4476 -102 -746 703 O -HETATM 2948 O HOH A 854 8.009 -44.318 17.993 1.00 22.16 O -ANISOU 2948 O HOH A 854 2272 4046 2101 -137 -314 1112 O -HETATM 2949 O HOH A 855 12.830 -26.296 21.628 1.00 15.32 O -ANISOU 2949 O HOH A 855 2309 2641 872 -853 -186 107 O -HETATM 2950 O HOH A 856 23.377 -31.370 13.053 1.00 19.62 O -ANISOU 2950 O HOH A 856 3483 1944 2026 -329 63 -797 O -HETATM 2951 O HOH A 857 14.935 -44.680 -11.716 1.00 30.16 O -ANISOU 2951 O HOH A 857 5566 3915 1979 1155 -1165 -415 O -HETATM 2952 O HOH A 858 27.595 -29.054 8.996 1.00 28.41 O -ANISOU 2952 O HOH A 858 2706 4523 3564 -683 -1094 2084 O -HETATM 2953 O HOH A 859 -9.185 -11.880 14.436 1.00 17.82 O -ANISOU 2953 O HOH A 859 2035 1859 2875 590 515 -400 O -HETATM 2954 O HOH A 860 -11.676 -16.543 19.464 1.00 33.58 O -ANISOU 2954 O HOH A 860 3844 4080 4836 -498 2403 -1166 O -HETATM 2955 O HOH A 861 29.536 -34.069 -20.618 1.00 23.18 O -ANISOU 2955 O HOH A 861 3683 3822 1304 -552 453 -126 O -HETATM 2956 O HOH A 862 22.787 -24.344 -17.975 1.00 33.37 O -ANISOU 2956 O HOH A 862 4590 3549 4540 1613 -1467 -173 O -HETATM 2957 O HOH A 863 22.850 -55.460 -6.616 1.00 21.53 O -ANISOU 2957 O HOH A 863 3040 3282 1859 720 -377 -939 O -HETATM 2958 O HOH A 864 0.875 -11.708 1.375 1.00 23.13 O -ANISOU 2958 O HOH A 864 3640 1737 3413 207 627 588 O -HETATM 2959 O HOH A 865 18.328 -38.776 -5.160 1.00 16.87 O -ANISOU 2959 O HOH A 865 2308 2015 2088 157 -301 -401 O -HETATM 2960 O HOH A 866 25.445 -19.551 -12.132 1.00 24.18 O -ANISOU 2960 O HOH A 866 1902 2814 4471 61 783 1653 O -HETATM 2961 O HOH A 867 40.316 -32.307 -13.628 1.00 16.18 O -ANISOU 2961 O HOH A 867 1463 3063 1622 356 -21 -381 O -HETATM 2962 O HOH A 868 -4.834 -32.492 23.225 1.00 26.49 O -ANISOU 2962 O HOH A 868 3621 4645 1800 -364 1160 209 O -HETATM 2963 O HOH A 869 -12.744 -33.221 0.516 1.00 25.13 O -ANISOU 2963 O HOH A 869 3490 2938 3122 376 594 -984 O -HETATM 2964 O HOH A 870 10.833 -50.036 -0.079 1.00 26.21 O -ANISOU 2964 O HOH A 870 4998 3023 1937 -1855 -799 687 O -HETATM 2965 O HOH A 871 24.104 -11.869 10.564 1.00 24.52 O -ANISOU 2965 O HOH A 871 3974 3755 1589 -819 -417 -579 O -HETATM 2966 O HOH A 872 36.101 -26.426 2.865 1.00 24.56 O -ANISOU 2966 O HOH A 872 3722 3992 1619 -62 -587 -414 O -HETATM 2967 O HOH A 873 36.809 -39.682 -5.604 1.00 30.65 O -ANISOU 2967 O HOH A 873 3785 4508 3354 -2110 -1291 1843 O -HETATM 2968 O HOH A 874 -7.884 -12.897 18.604 1.00 26.17 O -ANISOU 2968 O HOH A 874 2949 3366 3628 -537 988 -1543 O -HETATM 2969 O HOH A 875 12.488 -50.783 -11.546 1.00 33.84 O -ANISOU 2969 O HOH A 875 5791 4366 2703 -460 -803 -1553 O -HETATM 2970 O HOH A 876 -3.408 -38.385 19.318 1.00 21.68 O -ANISOU 2970 O HOH A 876 2335 1952 3951 -426 149 19 O -HETATM 2971 O HOH A 877 39.593 -28.412 -16.261 1.00 24.06 O -ANISOU 2971 O HOH A 877 3570 2618 2953 -214 1842 303 O -HETATM 2972 O HOH A 878 20.437 -16.968 -5.047 1.00 22.19 O -ANISOU 2972 O HOH A 878 3054 2397 2980 -86 570 828 O -HETATM 2973 O HOH A 879 35.932 -30.720 2.444 1.00 33.00 O -ANISOU 2973 O HOH A 879 4583 3880 4077 -1831 -1902 1969 O -HETATM 2974 O HOH A 880 29.107 -18.647 10.293 1.00 29.69 O -ANISOU 2974 O HOH A 880 2471 5178 3632 224 -720 -2244 O -HETATM 2975 O HOH A 881 28.583 -25.795 11.994 1.00 26.28 O -ANISOU 2975 O HOH A 881 3194 4568 2224 1220 -496 -343 O -HETATM 2976 O HOH A 882 -5.048 -19.863 21.869 1.00 25.98 O -ANISOU 2976 O HOH A 882 3236 2440 4195 -9 1931 -791 O -HETATM 2977 O HOH A 883 8.694 -36.999 -12.872 1.00 32.66 O -ANISOU 2977 O HOH A 883 4229 5956 2224 -2265 -427 -285 O -HETATM 2978 O HOH A 884 -9.158 -33.973 2.606 1.00 25.06 O -ANISOU 2978 O HOH A 884 2629 4547 2345 -1770 -659 519 O -HETATM 2979 O HOH A 885 11.825 -16.303 14.756 1.00 19.58 O -ANISOU 2979 O HOH A 885 3312 1681 2445 -884 -241 -156 O -HETATM 2980 O HOH A 886 22.924 -16.733 -3.932 1.00 24.84 O -ANISOU 2980 O HOH A 886 3123 3233 3081 1494 66 -363 O -HETATM 2981 O HOH A 887 24.426 -13.030 5.481 1.00 29.34 O -ANISOU 2981 O HOH A 887 3411 1934 5804 -312 1377 -502 O -HETATM 2982 O HOH A 888 28.125 -15.326 -4.860 1.00 24.91 O -ANISOU 2982 O HOH A 888 3816 2484 3166 -743 743 -344 O -HETATM 2983 O HOH A 889 -5.914 -21.870 20.414 1.00 23.80 O -ANISOU 2983 O HOH A 889 3888 2473 2680 496 884 -375 O -HETATM 2984 O HOH A 890 31.460 -40.431 9.174 1.00 21.78 O -ANISOU 2984 O HOH A 890 2136 4689 1449 -356 -389 330 O -HETATM 2985 O HOH A 891 -15.346 -17.880 6.957 1.00 24.57 O -ANISOU 2985 O HOH A 891 4209 3121 2003 -180 -33 -281 O -HETATM 2986 O HOH A 892 25.540 -24.885 14.961 1.00 30.46 O -ANISOU 2986 O HOH A 892 2887 5758 2931 -63 -931 935 O -HETATM 2987 O HOH A 893 -2.812 -29.731 25.466 1.00 30.30 O -ANISOU 2987 O HOH A 893 4428 3987 3097 891 1895 -351 O -HETATM 2988 O HOH A 894 -1.516 -43.403 3.929 1.00 29.97 O -ANISOU 2988 O HOH A 894 4403 3269 3717 1403 -481 -1346 O -HETATM 2989 O HOH A 895 -2.788 -6.596 9.930 1.00 28.12 O -ANISOU 2989 O HOH A 895 5947 2327 2410 537 437 525 O -HETATM 2990 O HOH A 896 8.580 -30.757 -12.172 1.00 29.49 O -ANISOU 2990 O HOH A 896 3882 4533 2791 1300 837 1814 O -HETATM 2991 O HOH A 897 31.320 -46.558 1.211 1.00 25.32 O -ANISOU 2991 O HOH A 897 2526 2216 4879 -62 104 286 O -HETATM 2992 O HOH A 898 30.414 -28.760 9.340 1.00 28.85 O -ANISOU 2992 O HOH A 898 3505 5366 2093 814 362 -391 O -HETATM 2993 O HOH A 899 41.748 -30.134 -14.668 1.00 24.42 O -ANISOU 2993 O HOH A 899 2947 2664 3667 -189 1166 338 O -HETATM 2994 O HOH A 900 24.228 -16.544 -0.379 1.00 21.39 O -ANISOU 2994 O HOH A 900 2538 2175 3416 -522 -232 752 O -HETATM 2995 O HOH A 901 -7.125 -8.035 8.673 1.00 31.16 O -ANISOU 2995 O HOH A 901 5412 2602 3825 -1307 -1407 1274 O -HETATM 2996 O HOH A 902 26.004 -47.859 -11.573 1.00 24.25 O -ANISOU 2996 O HOH A 902 3409 4486 1320 -403 307 -577 O -HETATM 2997 O HOH A 903 33.373 -23.441 7.681 1.00 30.04 O -ANISOU 2997 O HOH A 903 5433 3646 2333 364 -1207 -1068 O -HETATM 2998 O HOH A 904 25.002 -45.062 -14.535 1.00 40.60 O -ANISOU 2998 O HOH A 904 6161 3076 6188 -1674 -2553 902 O -HETATM 2999 O HOH A 905 14.957 -10.878 1.035 1.00 39.22 O -ANISOU 2999 O HOH A 905 5202 2911 6789 -261 2374 985 O -HETATM 3000 O HOH A 906 7.220 -13.738 2.898 1.00 22.35 O -ANISOU 3000 O HOH A 906 2253 2471 3768 284 -34 708 O -HETATM 3001 O HOH A 907 22.167 -11.948 6.628 1.00 30.40 O -ANISOU 3001 O HOH A 907 4334 2498 4719 2 -173 856 O -HETATM 3002 O HOH A 908 3.944 -23.956 22.952 1.00 30.94 O -ANISOU 3002 O HOH A 908 2611 6003 3140 143 314 1744 O -HETATM 3003 O HOH A 909 3.219 -10.905 5.941 1.00 27.15 O -ANISOU 3003 O HOH A 909 4209 3227 2881 -1306 1636 -1256 O -HETATM 3004 O HOH A 910 8.412 -42.330 24.319 1.00 21.62 O -ANISOU 3004 O HOH A 910 1814 3779 2623 9 -410 1113 O -HETATM 3005 O HOH A 911 34.077 -29.908 4.557 1.00 25.66 O -ANISOU 3005 O HOH A 911 2260 4184 3304 -922 -508 724 O -HETATM 3006 O HOH A 912 -9.637 -23.319 20.946 1.00 34.58 O -ANISOU 3006 O HOH A 912 6085 4193 2862 2410 649 -320 O -HETATM 3007 O HOH A 913 1.327 -9.992 20.077 1.00 25.44 O -ANISOU 3007 O HOH A 913 4225 2372 3067 613 902 -741 O -HETATM 3008 O HOH A 914 2.827 -34.137 23.338 1.00 33.61 O -ANISOU 3008 O HOH A 914 3973 3426 5372 -1490 224 1223 O -HETATM 3009 O HOH A 915 -1.407 -43.952 -4.526 1.00 43.84 O -ANISOU 3009 O HOH A 915 6152 3949 6555 -1533 -376 -2331 O -HETATM 3010 O HOH A 916 20.620 -17.253 -7.622 1.00 27.86 O -ANISOU 3010 O HOH A 916 3420 3314 3850 -22 164 375 O -HETATM 3011 O HOH A 917 20.639 -23.086 -13.768 1.00 19.29 O -ANISOU 3011 O HOH A 917 2173 2456 2702 1114 -156 44 O -HETATM 3012 O HOH A 918 21.028 -37.709 -17.025 1.00 32.24 O -ANISOU 3012 O HOH A 918 3341 5135 3773 582 -1236 -2217 O -HETATM 3013 O HOH A 919 23.030 -19.763 -13.139 1.00 31.10 O -ANISOU 3013 O HOH A 919 3786 3799 4230 -23 -641 1878 O -HETATM 3014 O HOH A 920 -7.286 -18.151 21.599 1.00 34.64 O -ANISOU 3014 O HOH A 920 4441 4063 4658 743 2389 490 O -HETATM 3015 O HOH A 921 -0.893 -39.645 19.467 1.00 29.19 O -ANISOU 3015 O HOH A 921 2950 3108 5032 228 -549 -1135 O -HETATM 3016 O HOH A 922 14.968 -22.219 19.548 1.00 25.93 O -ANISOU 3016 O HOH A 922 3554 3378 2921 -211 257 -253 O -HETATM 3017 O HOH A 923 -8.917 -29.683 -1.608 1.00 30.87 O -ANISOU 3017 O HOH A 923 2684 6270 2776 685 -350 549 O -HETATM 3018 O HOH A 924 11.647 -46.578 -13.591 1.00 40.92 O -ANISOU 3018 O HOH A 924 7126 5048 3372 2657 1946 1422 O -HETATM 3019 O HOH A 925 8.939 -31.189 -6.224 1.00 20.77 O -ANISOU 3019 O HOH A 925 2418 2737 2738 69 -266 -302 O -HETATM 3020 O HOH A 926 3.898 -48.558 -11.013 1.00 36.19 O -ANISOU 3020 O HOH A 926 2942 3243 7566 -684 -1434 859 O -HETATM 3021 O HOH A 927 -3.484 -44.766 5.937 1.00 30.92 O -ANISOU 3021 O HOH A 927 4449 3395 3904 630 -699 409 O -HETATM 3022 O HOH A 928 0.603 -25.112 26.533 1.00 34.83 O -ANISOU 3022 O HOH A 928 6237 4413 2584 1091 -19 -1451 O -HETATM 3023 O HOH A 929 -0.197 -23.593 24.485 1.00 22.58 O -ANISOU 3023 O HOH A 929 2905 4050 1624 197 350 -350 O -HETATM 3024 O HOH A 930 1.403 -31.307 -9.888 1.00 31.21 O -ANISOU 3024 O HOH A 930 3068 5490 3300 867 -1174 -1969 O -HETATM 3025 O HOH A 931 18.689 -12.119 1.492 1.00 33.41 O -ANISOU 3025 O HOH A 931 3414 3180 6101 -1006 450 -1226 O -HETATM 3026 O HOH A 932 12.142 -30.479 -12.527 1.00 37.96 O -ANISOU 3026 O HOH A 932 5286 5170 3967 1070 -2149 1051 O -HETATM 3027 O HOH A 933 21.858 -25.731 19.686 1.00 43.17 O -ANISOU 3027 O HOH A 933 6617 6160 3626 -425 -971 -74 O -HETATM 3028 O HOH A 934 3.416 -13.977 23.135 1.00 34.81 O -ANISOU 3028 O HOH A 934 3960 5383 3883 575 -234 -1545 O -HETATM 3029 O HOH A 935 0.262 -34.187 24.504 1.00 29.90 O -ANISOU 3029 O HOH A 935 3523 3841 3995 798 670 2068 O -HETATM 3030 O HOH A 936 4.833 -44.764 2.539 1.00 30.04 O -ANISOU 3030 O HOH A 936 3883 2570 4961 -979 546 -1209 O -HETATM 3031 O HOH A 937 -13.643 -12.228 5.803 1.00 31.53 O -ANISOU 3031 O HOH A 937 4508 4140 3332 1605 -855 286 O -HETATM 3032 O HOH A 938 -10.355 -11.754 2.999 1.00 34.01 O -ANISOU 3032 O HOH A 938 4732 2919 5270 -474 -1171 336 O -HETATM 3033 O HOH A 939 5.417 -23.794 -13.511 1.00 29.59 O -ANISOU 3033 O HOH A 939 4087 4798 2357 263 -1500 784 O -HETATM 3034 O HOH A 940 26.855 -46.199 -13.383 1.00 39.80 O -ANISOU 3034 O HOH A 940 6236 5114 3773 -658 2689 -191 O -HETATM 3035 O HOH A 941 19.250 -18.847 14.873 1.00 34.80 O -ANISOU 3035 O HOH A 941 6538 3960 2724 -2706 1507 -932 O -HETATM 3036 O HOH A 942 18.834 -37.125 -16.250 1.00 34.49 O -ANISOU 3036 O HOH A 942 7010 3848 2247 1229 598 -572 O -HETATM 3037 O HOH A 943 -17.309 -29.720 11.061 1.00 28.02 O -ANISOU 3037 O HOH A 943 2657 5238 2753 467 666 530 O -HETATM 3038 O HOH A 944 30.268 -36.624 -15.706 1.00 8.26 O -ANISOU 3038 O HOH A 944 1422 1249 468 -62 124 -57 O -HETATM 3039 O HOH A 945 33.906 -36.184 -15.719 1.00 9.72 O -ANISOU 3039 O HOH A 945 1565 1540 587 358 72 -55 O -HETATM 3040 O HOH A 946 3.706 -38.803 -9.390 1.00 11.95 O -ANISOU 3040 O HOH A 946 1477 1641 1423 31 -483 -507 O -HETATM 3041 O HOH A 947 31.867 -35.445 -18.080 1.00 9.22 O -ANISOU 3041 O HOH A 947 1480 1564 459 126 110 95 O -HETATM 3042 O HOH A 948 29.214 -14.575 -8.475 1.00 16.64 O -ANISOU 3042 O HOH A 948 2482 1556 2283 175 669 345 O -HETATM 3043 O HOH A 949 -16.041 -17.675 4.275 1.00 22.77 O -ANISOU 3043 O HOH A 949 3028 3253 2370 -1128 -741 249 O -HETATM 3044 O HOH A 950 34.986 -41.434 -5.151 1.00 22.23 O -ANISOU 3044 O HOH A 950 1435 5223 1790 -172 -86 1140 O -HETATM 3045 O HOH A 951 -2.131 -36.043 -6.632 1.00 39.48 O -ANISOU 3045 O HOH A 951 5954 2671 6374 933 -2070 600 O -HETATM 3046 O HOH A 952 6.186 -37.679 -11.825 1.00 36.96 O -ANISOU 3046 O HOH A 952 5321 5618 3103 -2975 1299 -1594 O -HETATM 3047 O HOH A 953 31.308 -25.505 -16.727 1.00 30.78 O -ANISOU 3047 O HOH A 953 4375 5391 1928 780 963 698 O -HETATM 3048 O HOH A 954 28.185 -16.574 8.402 1.00 29.17 O -ANISOU 3048 O HOH A 954 3789 3284 4010 -1378 -1009 -1216 O -HETATM 3049 O HOH A 955 -0.245 -7.869 18.202 1.00 32.42 O -ANISOU 3049 O HOH A 955 3391 2791 6137 -494 786 -2018 O -HETATM 3050 O HOH A 956 4.156 -21.786 -12.057 1.00 31.38 O -ANISOU 3050 O HOH A 956 4414 4053 3454 -289 -1766 955 O -HETATM 3051 O HOH A 957 -0.018 -35.102 -8.058 1.00 36.72 O -ANISOU 3051 O HOH A 957 5728 4287 3939 1956 -2478 -1402 O -HETATM 3052 O HOH A 958 44.347 -30.023 -13.348 1.00 31.45 O -ANISOU 3052 O HOH A 958 4132 1935 5882 276 2239 3 O -HETATM 3053 O HOH A 959 30.659 -23.221 9.560 1.00 36.02 O -ANISOU 3053 O HOH A 959 6371 3776 3539 -802 -146 -1497 O -HETATM 3054 O HOH A 960 9.135 -40.096 -13.661 1.00 27.53 O -ANISOU 3054 O HOH A 960 4158 4160 2143 -253 -1143 240 O -HETATM 3055 O HOH A 961 19.907 -9.970 10.646 1.00 27.28 O -ANISOU 3055 O HOH A 961 3395 2487 4483 -212 -1319 -506 O -HETATM 3056 O HOH A 962 6.178 -48.493 10.707 1.00 31.83 O -ANISOU 3056 O HOH A 962 5346 3418 3329 2070 -108 -995 O -HETATM 3057 O HOH A 963 24.030 -13.761 -0.202 1.00 33.17 O -ANISOU 3057 O HOH A 963 5458 2567 4579 -65 -297 209 O -HETATM 3058 O HOH A 964 30.862 -37.787 9.576 1.00 36.95 O -ANISOU 3058 O HOH A 964 5460 4661 3918 -309 -1599 -1869 O -HETATM 3059 O HOH A 965 36.012 -41.181 0.760 1.00 31.34 O -ANISOU 3059 O HOH A 965 2134 6523 3249 377 -852 66 O -HETATM 3060 O HOH A 966 24.676 -18.023 -9.669 1.00 24.38 O -ANISOU 3060 O HOH A 966 3168 3291 2804 -437 88 1153 O -HETATM 3061 O HOH A 967 0.829 -17.043 24.181 1.00 34.77 O -ANISOU 3061 O HOH A 967 6695 4455 2062 711 -146 -162 O -HETATM 3062 O HOH A 968 35.611 -37.129 -17.591 1.00 27.63 O -ANISOU 3062 O HOH A 968 3844 3960 2695 964 1097 -1144 O -HETATM 3063 O HOH A 969 4.038 -8.242 10.346 1.00 36.75 O -ANISOU 3063 O HOH A 969 2982 3836 7146 -97 1783 1492 O -HETATM 3064 O HOH A 970 -14.857 -30.682 14.295 1.00 34.13 O -ANISOU 3064 O HOH A 970 3238 4797 4935 710 -521 -1791 O -HETATM 3065 O HOH A 971 23.715 -15.918 13.070 1.00 29.88 O -ANISOU 3065 O HOH A 971 4147 3057 4151 -1548 -1027 -770 O -HETATM 3066 O HOH A 972 -7.560 -15.358 20.636 1.00 39.22 O -ANISOU 3066 O HOH A 972 3895 4913 6095 433 -1592 -2625 O -HETATM 3067 O HOH A 973 -13.593 -37.822 17.821 1.00 32.70 O -ANISOU 3067 O HOH A 973 3488 4686 4251 -1339 76 -1382 O -HETATM 3068 O HOH A 974 -6.318 -32.240 -4.356 1.00 35.60 O -ANISOU 3068 O HOH A 974 4202 5203 4123 -2105 -1149 -798 O -HETATM 3069 O HOH A 975 10.840 -12.207 16.459 1.00 42.05 O -ANISOU 3069 O HOH A 975 3909 6694 5374 -1960 330 -2746 O -HETATM 3070 O HOH A 976 41.746 -33.000 -4.872 1.00 28.67 O -ANISOU 3070 O HOH A 976 2222 4883 3789 782 557 1053 O -HETATM 3071 O HOH A 977 17.304 -53.258 -2.902 1.00 27.81 O -ANISOU 3071 O HOH A 977 4534 2569 3465 -935 -1138 314 O -HETATM 3072 O HOH A 978 13.115 -32.059 -18.426 1.00 41.92 O -ANISOU 3072 O HOH A 978 5505 4570 5852 -887 -2683 1225 O -HETATM 3073 O HOH A 979 3.682 -20.258 24.203 1.00 27.28 O -ANISOU 3073 O HOH A 979 4104 3915 2347 129 153 -721 O -HETATM 3074 O HOH A 980 -11.833 -35.923 17.803 1.00 30.29 O -ANISOU 3074 O HOH A 980 3729 3851 3930 -1474 1825 -1597 O -HETATM 3075 O HOH A 981 38.753 -36.291 -5.088 1.00 34.02 O -ANISOU 3075 O HOH A 981 2701 4539 5688 1212 -578 906 O -HETATM 3076 O HOH A 982 18.736 -45.020 -10.340 1.00 31.58 O -ANISOU 3076 O HOH A 982 6136 2793 3069 -216 1956 -602 O -HETATM 3077 O HOH A 983 43.834 -30.713 -5.233 1.00 28.91 O -ANISOU 3077 O HOH A 983 4063 3517 3407 1722 -1893 -1137 O -HETATM 3078 O HOH A 984 4.661 -29.120 -3.118 1.00 7.26 O -ANISOU 3078 O HOH A 984 858 1354 544 -20 -235 0 O -HETATM 3079 O HOH A 985 4.853 -39.885 -11.983 1.00 14.52 O -ANISOU 3079 O HOH A 985 2097 2010 1410 189 -309 -342 O -HETATM 3080 O HOH A 986 38.489 -38.589 -7.423 1.00 20.11 O -ANISOU 3080 O HOH A 986 2657 2127 2858 360 1594 251 O -HETATM 3081 O HOH A 987 21.730 -50.151 -6.857 1.00 29.78 O -ANISOU 3081 O HOH A 987 5284 2788 3245 -864 -1791 599 O -HETATM 3082 O HOH A 988 30.599 -14.856 -6.085 1.00 18.53 O -ANISOU 3082 O HOH A 988 2896 2172 1974 652 551 -10 O -HETATM 3083 O HOH A 989 9.533 -12.507 3.965 1.00 26.24 O -ANISOU 3083 O HOH A 989 2824 2065 5080 572 -1336 -21 O -HETATM 3084 O HOH A 990 13.388 -47.741 9.562 1.00 23.59 O -ANISOU 3084 O HOH A 990 3371 2737 2854 -562 -41 -465 O -HETATM 3085 O HOH A 991 5.713 -46.110 17.854 1.00 27.64 O -ANISOU 3085 O HOH A 991 3593 3589 3320 -1299 -1298 1501 O -HETATM 3086 O HOH A 992 16.385 -51.525 -7.072 1.00 38.14 O -ANISOU 3086 O HOH A 992 4010 6343 4139 1476 -1140 -2778 O -HETATM 3087 O HOH A 993 2.695 -37.250 -12.632 1.00 39.02 O -ANISOU 3087 O HOH A 993 6323 3995 4508 -619 1752 -683 O -HETATM 3088 O HOH A 994 -0.298 -19.321 23.277 1.00 26.73 O -ANISOU 3088 O HOH A 994 3843 3865 2447 221 -130 -288 O -HETATM 3089 O HOH A 995 26.865 -31.742 9.812 1.00 28.95 O -ANISOU 3089 O HOH A 995 3220 2679 5103 -690 -2175 480 O -HETATM 3090 O HOH A 996 5.038 -18.556 -3.470 1.00 31.68 O -ANISOU 3090 O HOH A 996 7013 2331 2691 1320 -1429 -264 O -HETATM 3091 O HOH A 997 29.822 -39.754 -18.747 1.00 35.03 O -ANISOU 3091 O HOH A 997 5788 4424 3098 376 1886 -991 O -HETATM 3092 O HOH A 998 -13.262 -14.352 8.417 1.00 31.20 O -ANISOU 3092 O HOH A 998 2184 4048 5623 -41 696 -524 O -HETATM 3093 O HOH A 999 19.123 -51.917 -6.998 1.00 29.97 O -ANISOU 3093 O HOH A 999 4362 4707 2321 -531 -113 -1249 O -CONECT 2515 2516 2520 -CONECT 2516 2515 2517 -CONECT 2517 2516 2518 -CONECT 2518 2517 2519 -CONECT 2519 2518 2520 -CONECT 2520 2515 2519 2521 -CONECT 2521 2520 2522 2523 -CONECT 2522 2521 2524 -CONECT 2523 2521 2525 -CONECT 2524 2522 2526 2528 -CONECT 2525 2523 2527 2529 -CONECT 2526 2524 -CONECT 2527 2525 -CONECT 2528 2524 2530 -CONECT 2529 2525 2530 -CONECT 2530 2528 2529 2531 -CONECT 2531 2530 2532 2533 2534 -CONECT 2532 2531 -CONECT 2533 2531 -CONECT 2534 2531 2535 -CONECT 2535 2534 2536 2538 -CONECT 2536 2535 2537 2542 -CONECT 2537 2536 -CONECT 2538 2535 2539 -CONECT 2539 2538 2540 2541 -CONECT 2540 2539 -CONECT 2541 2539 -CONECT 2542 2536 2543 -CONECT 2543 2542 2544 2546 -CONECT 2544 2543 2545 2547 -CONECT 2545 2544 -CONECT 2546 2543 -CONECT 2547 2544 -CONECT 2548 2550 2552 -CONECT 2549 2551 2552 -CONECT 2550 2548 -CONECT 2551 2549 -CONECT 2552 2548 2549 2553 2554 -CONECT 2553 2552 -CONECT 2554 2552 2555 -CONECT 2555 2554 -CONECT 2556 2557 2558 -CONECT 2557 2556 -CONECT 2558 2556 2559 2560 -CONECT 2559 2558 -CONECT 2560 2558 2561 -CONECT 2561 2560 -CONECT 2562 2563 2564 -CONECT 2563 2562 -CONECT 2564 2562 2565 2566 -CONECT 2565 2564 -CONECT 2566 2564 2567 -CONECT 2567 2566 -CONECT 2568 2569 2570 -CONECT 2569 2568 -CONECT 2570 2568 2571 2572 -CONECT 2571 2570 -CONECT 2572 2570 2573 -CONECT 2573 2572 -CONECT 2574 2575 2576 2577 -CONECT 2575 2574 -CONECT 2576 2574 -CONECT 2577 2574 -CONECT 2578 2579 2580 2581 -CONECT 2579 2578 -CONECT 2580 2578 -CONECT 2581 2578 -CONECT 2582 2583 2584 2585 -CONECT 2583 2582 -CONECT 2584 2582 -CONECT 2585 2582 -CONECT 2586 2587 2588 2589 -CONECT 2587 2586 -CONECT 2588 2586 -CONECT 2589 2586 -MASTER 395 0 14 12 17 0 31 6 3005 1 75 25 -END +HEADER HYDROLASE/HYDROLASE INHIBITOR 29-JUL-11 3T74 +TITLE THERMOLYSIN IN COMPLEX WITH UBTLN27 +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: THERMOLYSIN; +COMPND 3 CHAIN: A; +COMPND 4 FRAGMENT: MATURE FORM (UNP RESIDUES 233-548); +COMPND 5 SYNONYM: THERMOSTABLE NEUTRAL PROTEINASE; +COMPND 6 EC: 3.4.24.27 +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; +SOURCE 3 ORGANISM_TAXID: 1427 +KEYWDS PROTEASE, METALLOPROTEASE, HYDROLYSIS OF PEPTIDE BONDS, +KEYWDS 2 PHOSPHORAMIDON, HYDROLASE-HYDROLASE INHIBITOR COMPLEX +EXPDTA X-RAY DIFFRACTION +AUTHOR A.BIELA,A.HEINE,G.KLEBE +REVDAT 3 13-SEP-23 3T74 1 REMARK +REVDAT 2 12-FEB-14 3T74 1 JRNL +REVDAT 1 01-AUG-12 3T74 0 +JRNL AUTH A.BIELA,M.BETZ,A.HEINE,G.KLEBE +JRNL TITL WATER MAKES THE DIFFERENCE: REARRANGEMENT OF WATER SOLVATION +JRNL TITL 2 LAYER TRIGGERS NON-ADDITIVITY OF FUNCTIONAL GROUP +JRNL TITL 3 CONTRIBUTIONS IN PROTEIN-LIGAND BINDING. +JRNL REF CHEMMEDCHEM V. 7 1423 2012 +JRNL REFN ISSN 1860-7179 +JRNL PMID 22733601 +JRNL DOI 10.1002/CMDC.201200206 +REMARK 2 +REMARK 2 RESOLUTION. 1.28 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.7_650) +REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN +REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, +REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, +REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, +REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, +REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, +REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT +REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART +REMARK 3 +REMARK 3 REFINEMENT TARGET : ML +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.28 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 22.80 +REMARK 3 MIN(FOBS/SIGMA_FOBS) : 0.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : 94.7 +REMARK 3 NUMBER OF REFLECTIONS : 80965 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 R VALUE (WORKING + TEST SET) : 0.107 +REMARK 3 R VALUE (WORKING SET) : 0.106 +REMARK 3 FREE R VALUE : 0.127 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.060 +REMARK 3 FREE R VALUE TEST SET COUNT : 4095 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). +REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE +REMARK 3 1 22.8004 - 3.9261 0.99 3058 164 0.1469 0.1447 +REMARK 3 2 3.9261 - 3.1188 1.00 2918 146 0.1218 0.1394 +REMARK 3 3 3.1188 - 2.7253 0.99 2835 146 0.1143 0.1284 +REMARK 3 4 2.7253 - 2.4764 0.99 2842 145 0.1152 0.1543 +REMARK 3 5 2.4764 - 2.2991 0.98 2761 158 0.1088 0.1333 +REMARK 3 6 2.2991 - 2.1637 0.98 2739 172 0.0974 0.1164 +REMARK 3 7 2.1637 - 2.0554 0.98 2746 164 0.0915 0.1067 +REMARK 3 8 2.0554 - 1.9660 0.98 2745 149 0.0952 0.1146 +REMARK 3 9 1.9660 - 1.8903 0.97 2699 150 0.0896 0.1127 +REMARK 3 10 1.8903 - 1.8251 0.96 2730 146 0.0863 0.0964 +REMARK 3 11 1.8251 - 1.7681 0.97 2666 147 0.0822 0.1181 +REMARK 3 12 1.7681 - 1.7176 0.96 2659 151 0.0850 0.1099 +REMARK 3 13 1.7176 - 1.6724 0.96 2703 125 0.0865 0.1183 +REMARK 3 14 1.6724 - 1.6316 0.96 2683 106 0.0826 0.1167 +REMARK 3 15 1.6316 - 1.5945 0.95 2638 144 0.0785 0.1042 +REMARK 3 16 1.5945 - 1.5606 0.95 2604 135 0.0775 0.1128 +REMARK 3 17 1.5606 - 1.5294 0.94 2655 130 0.0785 0.1205 +REMARK 3 18 1.5294 - 1.5005 0.94 2567 139 0.0853 0.1232 +REMARK 3 19 1.5005 - 1.4737 0.94 2600 147 0.0840 0.1280 +REMARK 3 20 1.4737 - 1.4487 0.93 2550 141 0.0878 0.1014 +REMARK 3 21 1.4487 - 1.4254 0.92 2566 123 0.0898 0.1364 +REMARK 3 22 1.4254 - 1.4034 0.91 2532 117 0.0944 0.1405 +REMARK 3 23 1.4034 - 1.3828 0.92 2521 127 0.1016 0.1239 +REMARK 3 24 1.3828 - 1.3633 0.91 2533 128 0.0945 0.1243 +REMARK 3 25 1.3633 - 1.3449 0.90 2487 147 0.1069 0.1267 +REMARK 3 26 1.3449 - 1.3274 0.90 2490 132 0.1144 0.1300 +REMARK 3 27 1.3274 - 1.3108 0.91 2480 143 0.1207 0.1469 +REMARK 3 28 1.3108 - 1.2951 0.88 2436 128 0.1338 0.1768 +REMARK 3 29 1.2951 - 1.2800 0.89 2427 145 0.1402 0.1750 +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL +REMARK 3 SOLVENT RADIUS : 0.90 +REMARK 3 SHRINKAGE RADIUS : 0.77 +REMARK 3 K_SOL : 0.40 +REMARK 3 B_SOL : 53.67 +REMARK 3 +REMARK 3 ERROR ESTIMATES. +REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.100 +REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 9.630 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : -2.44960 +REMARK 3 B22 (A**2) : -2.44960 +REMARK 3 B33 (A**2) : 4.89920 +REMARK 3 B12 (A**2) : 0.00000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 TWINNING INFORMATION. +REMARK 3 FRACTION: NULL +REMARK 3 OPERATOR: NULL +REMARK 3 +REMARK 3 DEVIATIONS FROM IDEAL VALUES. +REMARK 3 RMSD COUNT +REMARK 3 BOND : 0.013 2690 +REMARK 3 ANGLE : 1.318 3727 +REMARK 3 CHIRALITY : 0.084 396 +REMARK 3 PLANARITY : 0.007 475 +REMARK 3 DIHEDRAL : 15.328 957 +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : NULL +REMARK 3 +REMARK 3 NCS DETAILS +REMARK 3 NUMBER OF NCS GROUPS : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 3T74 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-AUG-11. +REMARK 100 THE DEPOSITION ID IS D_1000067120. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 25-JUN-10 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 7.5 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : BESSY +REMARK 200 BEAMLINE : 14.2 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.91841 +REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL +REMARK 200 OPTICS : COLLIMATING MIRROR +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : RAYONIX MX-225 +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 +REMARK 200 DATA SCALING SOFTWARE : HKL-2000 +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 83375 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.280 +REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 97.3 +REMARK 200 DATA REDUNDANCY : 5.700 +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : 0.05200 +REMARK 200 FOR THE DATA SET : 30.4000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.28 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.30 +REMARK 200 COMPLETENESS FOR SHELL (%) : 95.4 +REMARK 200 DATA REDUNDANCY IN SHELL : 5.70 +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : 0.32600 +REMARK 200 FOR SHELL : 5.300 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: PHASER +REMARK 200 STARTING MODEL: PDB ENTRY 8TLN +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 47.87 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.36 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 50 MM TRIS, 1.9 M CESIUM CHLORIDE, 50% +REMARK 280 DMSO, PH 7.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 291K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 61 2 2 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -Y,X-Y,Z+1/3 +REMARK 290 3555 -X+Y,-X,Z+2/3 +REMARK 290 4555 -X,-Y,Z+1/2 +REMARK 290 5555 Y,-X+Y,Z+5/6 +REMARK 290 6555 X-Y,X,Z+1/6 +REMARK 290 7555 Y,X,-Z+1/3 +REMARK 290 8555 X-Y,-Y,-Z +REMARK 290 9555 -X,-X+Y,-Z+2/3 +REMARK 290 10555 -Y,-X,-Z+5/6 +REMARK 290 11555 -X+Y,Y,-Z+1/2 +REMARK 290 12555 X,X-Y,-Z+1/6 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 43.66667 +REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 87.33333 +REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 65.50000 +REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 109.16667 +REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 21.83333 +REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 43.66667 +REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 87.33333 +REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 109.16667 +REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 65.50000 +REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 21.83333 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 375 +REMARK 375 SPECIAL POSITION +REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS +REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL +REMARK 375 POSITIONS. +REMARK 375 +REMARK 375 ATOM RES CSSEQI +REMARK 375 HOH A 572 LIES ON A SPECIAL POSITION. +REMARK 375 HOH A 573 LIES ON A SPECIAL POSITION. +REMARK 375 HOH A 601 LIES ON A SPECIAL POSITION. +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 O HOH A 504 O HOH A 754 2.16 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC +REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 +REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A +REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 +REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE +REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. +REMARK 500 +REMARK 500 DISTANCE CUTOFF: +REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS +REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE +REMARK 500 O HOH A 667 O HOH A 817 12545 1.88 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 THR A 26 -59.04 69.86 +REMARK 500 SER A 92 -173.49 59.67 +REMARK 500 SER A 107 -160.51 60.72 +REMARK 500 THR A 152 -100.72 -118.80 +REMARK 500 ASN A 159 -145.10 54.50 +REMARK 500 THR A 194 75.76 42.33 +REMARK 500 ILE A 232 -61.31 -102.28 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 630 +REMARK 630 MOLECULE TYPE: PEPTIDE-LIKE INHIBITOR +REMARK 630 MOLECULE NAME: N-[(S)-({[(BENZYLOXY)CARBONYL]AMINO}METHYL)(HYDROXY) +REMARK 630 PHOSPHORYL]-L-LEUCYL-L-ALANINE +REMARK 630 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 630 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 630 +REMARK 630 M RES C SSSEQI +REMARK 630 UBY A 401 +REMARK 630 SOURCE: NULL +REMARK 630 TAXONOMY: NULL +REMARK 630 SUBCOMP: PHQ PGL LEU ALA +REMARK 630 DETAILS: NULL +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE UBY A 401 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 402 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 403 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 404 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 405 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DMS A 406 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC7 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DMS A 407 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC8 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DMS A 408 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC9 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DMS A 409 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 410 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 411 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 412 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 413 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: BC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 414 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 3T73 RELATED DB: PDB +REMARK 900 RELATED ID: 3FVP RELATED DB: PDB +REMARK 900 RELATED ID: 3FV4 RELATED DB: PDB +REMARK 900 RELATED ID: 3FWD RELATED DB: PDB +REMARK 900 RELATED ID: 3FLF RELATED DB: PDB +REMARK 900 RELATED ID: 3T87 RELATED DB: PDB +REMARK 900 RELATED ID: 3T8C RELATED DB: PDB +REMARK 900 RELATED ID: 3T8D RELATED DB: PDB +REMARK 900 RELATED ID: 3T8F RELATED DB: PDB +REMARK 900 RELATED ID: 3T8G RELATED DB: PDB +REMARK 900 RELATED ID: 3T8H RELATED DB: PDB +DBREF 3T74 A 1 316 UNP P00800 THER_BACTH 233 548 +SEQRES 1 A 316 ILE THR GLY THR SER THR VAL GLY VAL GLY ARG GLY VAL +SEQRES 2 A 316 LEU GLY ASP GLN LYS ASN ILE ASN THR THR TYR SER THR +SEQRES 3 A 316 TYR TYR TYR LEU GLN ASP ASN THR ARG GLY ASN GLY ILE +SEQRES 4 A 316 PHE THR TYR ASP ALA LYS TYR ARG THR THR LEU PRO GLY +SEQRES 5 A 316 SER LEU TRP ALA ASP ALA ASP ASN GLN PHE PHE ALA SER +SEQRES 6 A 316 TYR ASP ALA PRO ALA VAL ASP ALA HIS TYR TYR ALA GLY +SEQRES 7 A 316 VAL THR TYR ASP TYR TYR LYS ASN VAL HIS ASN ARG LEU +SEQRES 8 A 316 SER TYR ASP GLY ASN ASN ALA ALA ILE ARG SER SER VAL +SEQRES 9 A 316 HIS TYR SER GLN GLY TYR ASN ASN ALA PHE TRP ASN GLY +SEQRES 10 A 316 SER GLN MET VAL TYR GLY ASP GLY ASP GLY GLN THR PHE +SEQRES 11 A 316 ILE PRO LEU SER GLY GLY ILE ASP VAL VAL ALA HIS GLU +SEQRES 12 A 316 LEU THR HIS ALA VAL THR ASP TYR THR ALA GLY LEU ILE +SEQRES 13 A 316 TYR GLN ASN GLU SER GLY ALA ILE ASN GLU ALA ILE SER +SEQRES 14 A 316 ASP ILE PHE GLY THR LEU VAL GLU PHE TYR ALA ASN LYS +SEQRES 15 A 316 ASN PRO ASP TRP GLU ILE GLY GLU ASP VAL TYR THR PRO +SEQRES 16 A 316 GLY ILE SER GLY ASP SER LEU ARG SER MET SER ASP PRO +SEQRES 17 A 316 ALA LYS TYR GLY ASP PRO ASP HIS TYR SER LYS ARG TYR +SEQRES 18 A 316 THR GLY THR GLN ASP ASN GLY GLY VAL HIS ILE ASN SER +SEQRES 19 A 316 GLY ILE ILE ASN LYS ALA ALA TYR LEU ILE SER GLN GLY +SEQRES 20 A 316 GLY THR HIS TYR GLY VAL SER VAL VAL GLY ILE GLY ARG +SEQRES 21 A 316 ASP LYS LEU GLY LYS ILE PHE TYR ARG ALA LEU THR GLN +SEQRES 22 A 316 TYR LEU THR PRO THR SER ASN PHE SER GLN LEU ARG ALA +SEQRES 23 A 316 ALA ALA VAL GLN SER ALA THR ASP LEU TYR GLY SER THR +SEQRES 24 A 316 SER GLN GLU VAL ALA SER VAL LYS GLN ALA PHE ASP ALA +SEQRES 25 A 316 VAL GLY VAL LYS +HET UBY A 401 33 +HET GOL A 402 8 +HET GOL A 403 6 +HET GOL A 404 6 +HET GOL A 405 6 +HET DMS A 406 4 +HET DMS A 407 4 +HET DMS A 408 4 +HET DMS A 409 4 +HET ZN A 410 1 +HET CA A 411 1 +HET CA A 412 1 +HET CA A 413 1 +HET CA A 414 1 +HETNAM UBY N-[(S)-({[(BENZYLOXY)CARBONYL]AMINO}METHYL)(HYDROXY) +HETNAM 2 UBY PHOSPHORYL]-L-LEUCYL-L-ALANINE +HETNAM GOL GLYCEROL +HETNAM DMS DIMETHYL SULFOXIDE +HETNAM ZN ZINC ION +HETNAM CA CALCIUM ION +HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL +FORMUL 2 UBY C18 H28 N3 O7 P +FORMUL 3 GOL 4(C3 H8 O3) +FORMUL 7 DMS 4(C2 H6 O S) +FORMUL 11 ZN ZN 2+ +FORMUL 12 CA 4(CA 2+) +FORMUL 16 HOH *499(H2 O) +HELIX 1 1 ALA A 64 TYR A 66 5 3 +HELIX 2 2 ASP A 67 ASN A 89 1 23 +HELIX 3 3 PRO A 132 GLY A 135 5 4 +HELIX 4 4 GLY A 136 THR A 152 1 17 +HELIX 5 5 GLN A 158 ASN A 181 1 24 +HELIX 6 6 ASP A 207 GLY A 212 5 6 +HELIX 7 7 HIS A 216 ARG A 220 5 5 +HELIX 8 8 THR A 224 VAL A 230 1 7 +HELIX 9 9 ASN A 233 GLY A 247 1 15 +HELIX 10 10 GLY A 259 TYR A 274 1 16 +HELIX 11 11 ASN A 280 GLY A 297 1 18 +HELIX 12 12 SER A 300 VAL A 313 1 14 +SHEET 1 A 5 ALA A 56 ASP A 57 0 +SHEET 2 A 5 TYR A 28 TYR A 29 -1 N TYR A 28 O ASP A 57 +SHEET 3 A 5 GLN A 17 TYR A 24 -1 N THR A 23 O TYR A 29 +SHEET 4 A 5 THR A 4 ARG A 11 -1 N THR A 4 O TYR A 24 +SHEET 5 A 5 GLN A 61 PHE A 62 1 O PHE A 62 N VAL A 9 +SHEET 1 B 3 GLN A 31 ASP A 32 0 +SHEET 2 B 3 ILE A 39 ASP A 43 -1 O ILE A 39 N ASP A 32 +SHEET 3 B 3 SER A 53 LEU A 54 -1 O SER A 53 N ASP A 43 +SHEET 1 C 5 GLN A 31 ASP A 32 0 +SHEET 2 C 5 ILE A 39 ASP A 43 -1 O ILE A 39 N ASP A 32 +SHEET 3 C 5 ILE A 100 TYR A 106 1 O ILE A 100 N PHE A 40 +SHEET 4 C 5 MET A 120 GLY A 123 1 O MET A 120 N ARG A 101 +SHEET 5 C 5 ALA A 113 TRP A 115 -1 N PHE A 114 O VAL A 121 +SHEET 1 D 2 GLU A 187 ILE A 188 0 +SHEET 2 D 2 ARG A 203 SER A 204 -1 O ARG A 203 N ILE A 188 +SHEET 1 E 2 GLY A 248 HIS A 250 0 +SHEET 2 E 2 VAL A 253 VAL A 255 -1 O VAL A 255 N GLY A 248 +CISPEP 1 LEU A 50 PRO A 51 0 3.93 +SITE 1 AC1 18 TYR A 106 ASN A 112 ALA A 113 PHE A 114 +SITE 2 AC1 18 TRP A 115 HIS A 142 GLU A 143 HIS A 146 +SITE 3 AC1 18 TYR A 157 GLU A 166 ARG A 203 HIS A 231 +SITE 4 AC1 18 GOL A 405 DMS A 406 ZN A 410 HOH A 795 +SITE 5 AC1 18 HOH A 813 HOH A 820 +SITE 1 AC2 12 GLY A 247 GLY A 248 THR A 249 VAL A 255 +SITE 2 AC2 12 GLN A 273 TYR A 274 LEU A 275 THR A 276 +SITE 3 AC2 12 HOH A 727 HOH A 758 HOH A 787 HOH A 855 +SITE 1 AC3 6 SER A 65 TYR A 66 PRO A 69 HIS A 105 +SITE 2 AC3 6 HOH A 904 HOH A 982 +SITE 1 AC4 8 GLY A 109 TYR A 110 ASN A 111 ASN A 112 +SITE 2 AC4 8 GLN A 158 DMS A 406 HOH A 854 HOH A 870 +SITE 1 AC5 8 PHE A 114 TRP A 115 HIS A 146 TYR A 157 +SITE 2 AC5 8 UBY A 401 HOH A 674 HOH A 702 HOH A 715 +SITE 1 AC6 7 TYR A 110 ASN A 112 PHE A 114 UBY A 401 +SITE 2 AC6 7 GOL A 404 HOH A 761 HOH A 990 +SITE 1 AC7 5 ILE A 1 THR A 2 GLY A 3 GLN A 31 +SITE 2 AC7 5 ASN A 33 +SITE 1 AC8 7 TYR A 66 HIS A 216 SER A 218 TYR A 251 +SITE 2 AC8 7 HOH A 628 HOH A 833 HOH A 940 +SITE 1 AC9 7 THR A 2 THR A 4 TYR A 24 SER A 25 +SITE 2 AC9 7 TYR A 28 HOH A 531 HOH A 877 +SITE 1 BC1 4 HIS A 142 HIS A 146 GLU A 166 UBY A 401 +SITE 1 BC2 6 GLU A 177 ASN A 183 ASP A 185 GLU A 190 +SITE 2 BC2 6 HOH A 692 HOH A 748 +SITE 1 BC3 6 ASP A 138 GLU A 177 ASP A 185 GLU A 187 +SITE 2 BC3 6 GLU A 190 HOH A 984 +SITE 1 BC4 6 TYR A 193 THR A 194 ILE A 197 ASP A 200 +SITE 2 BC4 6 HOH A 946 HOH A 985 +SITE 1 BC5 6 ASP A 57 ASP A 59 GLN A 61 HOH A 944 +SITE 2 BC5 6 HOH A 945 HOH A 947 +CRYST1 92.600 92.600 131.000 90.00 90.00 120.00 P 61 2 2 12 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.010799 0.006235 0.000000 0.00000 +SCALE2 0.000000 0.012470 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.007634 0.00000 +ATOM 1 N ILE A 1 36.774 -28.534 0.865 1.00 15.35 N +ANISOU 1 N ILE A 1 1377 2815 1639 136 -614 331 N +ATOM 2 CA ILE A 1 38.170 -28.475 0.371 1.00 16.14 C +ANISOU 2 CA ILE A 1 1563 2780 1789 122 -387 327 C +ATOM 3 C ILE A 1 38.518 -27.033 -0.008 1.00 14.28 C +ANISOU 3 C ILE A 1 1358 2434 1635 13 -376 298 C +ATOM 4 O ILE A 1 37.650 -26.207 -0.282 1.00 13.97 O +ANISOU 4 O ILE A 1 1167 2400 1740 48 -247 345 O +ATOM 5 CB ILE A 1 38.390 -29.435 -0.826 1.00 18.54 C +ANISOU 5 CB ILE A 1 1898 3079 2068 199 -137 256 C +ATOM 6 CG1 ILE A 1 39.881 -29.678 -1.068 1.00 21.63 C +ANISOU 6 CG1 ILE A 1 2502 3443 2275 545 -60 229 C +ATOM 7 CG2 ILE A 1 37.730 -28.900 -2.072 1.00 18.87 C +ANISOU 7 CG2 ILE A 1 1788 3266 2117 102 -127 88 C +ATOM 8 CD1 ILE A 1 40.168 -30.759 -2.102 1.00 23.00 C +ANISOU 8 CD1 ILE A 1 2814 3529 2395 665 -53 248 C +ATOM 9 N THR A 2 39.803 -26.729 0.013 1.00 13.71 N +ANISOU 9 N THR A 2 1354 2393 1462 -44 -350 235 N +ATOM 10 CA THR A 2 40.290 -25.429 -0.402 1.00 13.65 C +ANISOU 10 CA THR A 2 1529 2335 1323 -187 -393 72 C +ATOM 11 C THR A 2 40.426 -25.413 -1.918 1.00 13.42 C +ANISOU 11 C THR A 2 1693 2178 1228 120 -154 107 C +ATOM 12 O THR A 2 41.021 -26.301 -2.518 1.00 15.44 O +ANISOU 12 O THR A 2 2231 2391 1245 686 -94 191 O +ATOM 13 CB THR A 2 41.638 -25.144 0.268 1.00 15.32 C +ANISOU 13 CB THR A 2 1854 2609 1357 -420 -489 2 C +ATOM 14 OG1 THR A 2 41.458 -25.144 1.695 1.00 17.52 O +ANISOU 14 OG1 THR A 2 2195 3030 1432 -303 -484 -68 O +ATOM 15 CG2 THR A 2 42.214 -23.804 -0.199 1.00 17.09 C +ANISOU 15 CG2 THR A 2 2093 2891 1510 -198 -475 42 C +ATOM 16 N GLY A 3 39.850 -24.409 -2.555 1.00 11.47 N +ANISOU 16 N GLY A 3 1494 1742 1124 -103 -60 -53 N +ATOM 17 CA GLY A 3 39.937 -24.296 -3.990 1.00 11.28 C +ANISOU 17 CA GLY A 3 1495 1732 1059 -63 124 -71 C +ATOM 18 C GLY A 3 39.281 -23.032 -4.465 1.00 11.87 C +ANISOU 18 C GLY A 3 1574 1921 1013 73 210 -19 C +ATOM 19 O GLY A 3 39.001 -22.138 -3.674 1.00 15.24 O +ANISOU 19 O GLY A 3 2311 2467 1013 671 173 -66 O +ATOM 20 N THR A 4 39.033 -22.938 -5.759 1.00 10.22 N +ANISOU 20 N THR A 4 1119 1790 973 -135 160 104 N +ATOM 21 CA ATHR A 4 38.411 -21.722 -6.279 0.74 9.68 C +ANISOU 21 CA ATHR A 4 1024 1714 941 -174 240 221 C +ATOM 22 CA BTHR A 4 38.444 -21.749 -6.353 0.26 10.14 C +ANISOU 22 CA BTHR A 4 1129 1737 985 -229 259 265 C +ATOM 23 C THR A 4 37.001 -22.050 -6.755 1.00 8.92 C +ANISOU 23 C THR A 4 1072 1436 882 -232 248 165 C +ATOM 24 O THR A 4 36.717 -23.132 -7.275 1.00 8.61 O +ANISOU 24 O THR A 4 1035 1331 905 -54 202 76 O +ATOM 25 CB ATHR A 4 39.267 -21.032 -7.364 0.74 10.56 C +ANISOU 25 CB ATHR A 4 1099 1902 1011 -9 192 112 C +ATOM 26 CB BTHR A 4 39.244 -21.291 -7.593 0.26 11.43 C +ANISOU 26 CB BTHR A 4 1256 1965 1123 -266 328 431 C +ATOM 27 OG1ATHR A 4 38.749 -19.726 -7.665 0.74 10.77 O +ANISOU 27 OG1ATHR A 4 1177 1897 1019 99 67 124 O +ATOM 28 OG1BTHR A 4 40.646 -21.564 -7.413 0.26 11.66 O +ANISOU 28 OG1BTHR A 4 1321 1896 1211 -434 388 480 O +ATOM 29 CG2ATHR A 4 39.270 -21.844 -8.601 0.74 9.29 C +ANISOU 29 CG2ATHR A 4 853 1700 976 -407 285 -170 C +ATOM 30 CG2BTHR A 4 39.041 -19.808 -7.817 0.26 11.71 C +ANISOU 30 CG2BTHR A 4 1285 2019 1143 -209 343 489 C +ATOM 31 N SER A 5 36.105 -21.109 -6.521 1.00 8.26 N +ANISOU 31 N SER A 5 1084 1275 780 -232 241 -6 N +ATOM 32 CA SER A 5 34.706 -21.289 -6.878 1.00 7.43 C +ANISOU 32 CA SER A 5 1104 1072 646 -224 331 15 C +ATOM 33 C SER A 5 34.509 -21.277 -8.386 1.00 6.82 C +ANISOU 33 C SER A 5 1143 901 549 -87 344 84 C +ATOM 34 O SER A 5 34.975 -20.379 -9.081 1.00 7.47 O +ANISOU 34 O SER A 5 1294 936 609 -137 377 118 O +ATOM 35 CB SER A 5 33.864 -20.198 -6.244 1.00 7.66 C +ANISOU 35 CB SER A 5 1261 1047 601 -69 427 80 C +ATOM 36 OG SER A 5 33.974 -20.280 -4.833 1.00 8.67 O +ANISOU 36 OG SER A 5 1500 1205 588 -218 369 -16 O +ATOM 37 N THR A 6 33.746 -22.246 -8.865 1.00 6.89 N +ANISOU 37 N THR A 6 1103 955 559 -102 202 48 N +ATOM 38 CA THR A 6 33.532 -22.460 -10.276 1.00 7.82 C +ANISOU 38 CA THR A 6 1192 1163 618 -99 169 85 C +ATOM 39 C THR A 6 32.047 -22.744 -10.515 1.00 6.91 C +ANISOU 39 C THR A 6 1088 949 589 -41 246 273 C +ATOM 40 O THR A 6 31.275 -22.897 -9.571 1.00 6.49 O +ANISOU 40 O THR A 6 942 935 588 -113 251 254 O +ATOM 41 CB THR A 6 34.457 -23.650 -10.777 1.00 9.34 C +ANISOU 41 CB THR A 6 1265 1544 740 -72 163 155 C +ATOM 42 OG1 THR A 6 34.379 -24.760 -9.878 1.00 10.05 O +ANISOU 42 OG1 THR A 6 1445 1447 928 122 36 12 O +ATOM 43 CG2 THR A 6 35.910 -23.215 -10.772 1.00 10.01 C +ANISOU 43 CG2 THR A 6 1372 1513 919 43 181 39 C +ATOM 44 N VAL A 7 31.651 -22.796 -11.778 1.00 7.04 N +ANISOU 44 N VAL A 7 1122 917 637 -61 203 189 N +ATOM 45 CA VAL A 7 30.262 -23.047 -12.159 1.00 7.13 C +ANISOU 45 CA VAL A 7 1166 907 635 -35 174 246 C +ATOM 46 C VAL A 7 30.243 -24.163 -13.181 1.00 7.58 C +ANISOU 46 C VAL A 7 1194 1092 594 -39 232 189 C +ATOM 47 O VAL A 7 30.747 -24.028 -14.289 1.00 8.15 O +ANISOU 47 O VAL A 7 1244 1223 630 -66 344 167 O +ATOM 48 CB VAL A 7 29.564 -21.801 -12.694 1.00 8.18 C +ANISOU 48 CB VAL A 7 1296 1054 759 84 83 129 C +ATOM 49 CG1 VAL A 7 28.154 -22.146 -13.136 1.00 8.98 C +ANISOU 49 CG1 VAL A 7 1363 1201 850 209 -29 40 C +ATOM 50 CG2 VAL A 7 29.580 -20.681 -11.648 1.00 8.40 C +ANISOU 50 CG2 VAL A 7 1385 979 826 151 139 150 C +ATOM 51 N GLY A 8 29.718 -25.301 -12.758 1.00 7.52 N +ANISOU 51 N GLY A 8 1191 1045 621 -25 89 123 N +ATOM 52 CA GLY A 8 29.537 -26.441 -13.634 1.00 7.88 C +ANISOU 52 CA GLY A 8 1244 1088 661 126 -22 71 C +ATOM 53 C GLY A 8 28.142 -26.472 -14.212 1.00 7.58 C +ANISOU 53 C GLY A 8 1196 1052 632 46 -42 150 C +ATOM 54 O GLY A 8 27.293 -25.637 -13.886 1.00 7.51 O +ANISOU 54 O GLY A 8 1115 1129 610 72 77 207 O +ATOM 55 N VAL A 9 27.908 -27.419 -15.107 1.00 8.09 N +ANISOU 55 N VAL A 9 1172 1256 645 -17 -110 161 N +ATOM 56 CA AVAL A 9 26.612 -27.549 -15.735 0.58 8.47 C +ANISOU 56 CA AVAL A 9 1315 1219 682 -45 -184 211 C +ATOM 57 CA BVAL A 9 26.638 -27.547 -15.792 0.42 8.46 C +ANISOU 57 CA BVAL A 9 1279 1260 674 -17 -163 227 C +ATOM 58 C VAL A 9 26.300 -29.031 -15.830 1.00 7.96 C +ANISOU 58 C VAL A 9 1192 1195 638 -60 -240 221 C +ATOM 59 O VAL A 9 27.187 -29.857 -16.000 1.00 8.28 O +ANISOU 59 O VAL A 9 1263 1269 613 81 -232 144 O +ATOM 60 CB AVAL A 9 26.584 -26.857 -17.116 0.58 10.06 C +ANISOU 60 CB AVAL A 9 1643 1371 808 156 -216 338 C +ATOM 61 CB BVAL A 9 26.738 -26.983 -17.226 0.42 9.91 C +ANISOU 61 CB BVAL A 9 1529 1455 782 181 -156 360 C +ATOM 62 CG1AVAL A 9 27.575 -27.510 -18.067 0.58 10.29 C +ANISOU 62 CG1AVAL A 9 1711 1389 809 103 -276 377 C +ATOM 63 CG1BVAL A 9 25.394 -27.054 -17.919 0.42 10.83 C +ANISOU 63 CG1BVAL A 9 1685 1636 792 350 -153 410 C +ATOM 64 CG2AVAL A 9 25.161 -26.837 -17.686 0.58 11.11 C +ANISOU 64 CG2AVAL A 9 1867 1523 830 418 -255 366 C +ATOM 65 CG2BVAL A 9 27.273 -25.537 -17.203 0.42 10.27 C +ANISOU 65 CG2BVAL A 9 1592 1492 816 120 -171 447 C +ATOM 66 N GLY A 10 25.033 -29.373 -15.688 1.00 8.68 N +ANISOU 66 N GLY A 10 1149 1336 813 -76 -219 207 N +ATOM 67 CA GLY A 10 24.648 -30.758 -15.785 1.00 9.43 C +ANISOU 67 CA GLY A 10 1164 1531 887 -116 -168 278 C +ATOM 68 C GLY A 10 23.165 -30.911 -15.941 1.00 9.16 C +ANISOU 68 C GLY A 10 1169 1554 758 -117 -103 276 C +ATOM 69 O GLY A 10 22.431 -29.952 -16.197 1.00 9.87 O +ANISOU 69 O GLY A 10 1384 1458 907 13 -199 258 O +ATOM 70 N ARG A 11 22.716 -32.144 -15.784 1.00 9.07 N +ANISOU 70 N ARG A 11 1193 1642 613 -187 -20 242 N +ATOM 71 CA AARG A 11 21.305 -32.410 -15.911 0.41 10.26 C +ANISOU 71 CA AARG A 11 1417 1848 635 -178 -83 103 C +ATOM 72 CA BARG A 11 21.312 -32.504 -15.944 0.59 9.05 C +ANISOU 72 CA BARG A 11 1330 1580 528 -315 -101 152 C +ATOM 73 C ARG A 11 20.814 -33.207 -14.694 1.00 8.74 C +ANISOU 73 C ARG A 11 1230 1621 469 -208 -120 131 C +ATOM 74 O ARG A 11 21.503 -34.071 -14.152 1.00 8.76 O +ANISOU 74 O ARG A 11 1219 1668 440 -48 -11 114 O +ATOM 75 CB AARG A 11 21.020 -33.002 -17.310 0.41 13.43 C +ANISOU 75 CB AARG A 11 1906 2331 866 -56 -56 19 C +ATOM 76 CB BARG A 11 21.106 -33.401 -17.166 0.59 10.42 C +ANISOU 76 CB BARG A 11 1741 1616 603 -322 -69 301 C +ATOM 77 CG AARG A 11 20.066 -34.152 -17.441 0.41 15.61 C +ANISOU 77 CG AARG A 11 2207 2667 1055 -126 -35 -31 C +ATOM 78 CG BARG A 11 20.846 -32.577 -18.442 0.59 13.33 C +ANISOU 78 CG BARG A 11 2143 2148 774 -201 -101 365 C +ATOM 79 CD AARG A 11 19.567 -34.307 -18.886 0.41 17.14 C +ANISOU 79 CD AARG A 11 2468 2830 1214 -209 -41 -19 C +ATOM 80 CD BARG A 11 20.129 -33.382 -19.519 0.59 16.10 C +ANISOU 80 CD BARG A 11 2455 2652 1009 -164 -187 241 C +ATOM 81 NE AARG A 11 20.521 -33.876 -19.917 0.41 18.84 N +ANISOU 81 NE AARG A 11 2717 3093 1348 -145 -58 -62 N +ATOM 82 NE BARG A 11 20.980 -34.438 -20.046 0.59 18.03 N +ANISOU 82 NE BARG A 11 2732 2958 1160 -131 -241 83 N +ATOM 83 CZ AARG A 11 20.434 -32.738 -20.610 0.41 20.45 C +ANISOU 83 CZ AARG A 11 2965 3342 1464 -58 -88 -27 C +ATOM 84 CZ BARG A 11 21.731 -34.316 -21.135 0.59 19.74 C +ANISOU 84 CZ BARG A 11 2949 3241 1311 -91 -323 -94 C +ATOM 85 NH1AARG A 11 21.352 -32.451 -21.521 0.41 21.20 N +ANISOU 85 NH1AARG A 11 3080 3443 1531 -9 -87 -46 N +ATOM 86 NH1BARG A 11 21.733 -33.186 -21.818 0.59 19.86 N +ANISOU 86 NH1BARG A 11 3024 3227 1297 -156 -325 -77 N +ATOM 87 NH2AARG A 11 19.439 -31.882 -20.403 0.41 21.01 N +ANISOU 87 NH2AARG A 11 3018 3464 1500 -59 -101 67 N +ATOM 88 NH2BARG A 11 22.484 -35.322 -21.537 0.59 21.18 N +ANISOU 88 NH2BARG A 11 3087 3521 1440 80 -351 -144 N +ATOM 89 N GLY A 12 19.639 -32.826 -14.215 1.00 8.53 N +ANISOU 89 N GLY A 12 1274 1522 444 -73 -122 175 N +ATOM 90 CA GLY A 12 19.049 -33.440 -13.052 1.00 8.56 C +ANISOU 90 CA GLY A 12 1302 1516 435 -116 -166 60 C +ATOM 91 C GLY A 12 18.286 -34.709 -13.391 1.00 8.75 C +ANISOU 91 C GLY A 12 1293 1570 461 -266 -103 -55 C +ATOM 92 O GLY A 12 18.239 -35.177 -14.531 1.00 9.63 O +ANISOU 92 O GLY A 12 1371 1755 531 -306 -88 -161 O +ATOM 93 N VAL A 13 17.663 -35.262 -12.366 1.00 8.93 N +ANISOU 93 N VAL A 13 1298 1611 482 -205 -135 71 N +ATOM 94 CA VAL A 13 16.947 -36.524 -12.441 1.00 9.38 C +ANISOU 94 CA VAL A 13 1376 1647 540 -323 -149 33 C +ATOM 95 C VAL A 13 15.850 -36.519 -13.514 1.00 10.83 C +ANISOU 95 C VAL A 13 1629 1845 640 -387 -174 -35 C +ATOM 96 O VAL A 13 15.635 -37.529 -14.183 1.00 12.03 O +ANISOU 96 O VAL A 13 1848 1912 811 -426 -149 -188 O +ATOM 97 CB VAL A 13 16.366 -36.850 -11.047 1.00 9.00 C +ANISOU 97 CB VAL A 13 1298 1530 593 -277 -129 55 C +ATOM 98 CG1 VAL A 13 15.471 -38.064 -11.107 1.00 9.86 C +ANISOU 98 CG1 VAL A 13 1431 1627 689 -277 -224 12 C +ATOM 99 CG2 VAL A 13 17.488 -37.053 -10.041 1.00 9.19 C +ANISOU 99 CG2 VAL A 13 1369 1477 644 -35 -203 64 C +ATOM 100 N LEU A 14 15.175 -35.388 -13.679 1.00 10.87 N +ANISOU 100 N LEU A 14 1519 1958 655 -465 -264 128 N +ATOM 101 CA LEU A 14 14.087 -35.277 -14.649 1.00 12.68 C +ANISOU 101 CA LEU A 14 1687 2327 803 -437 -372 229 C +ATOM 102 C LEU A 14 14.577 -34.808 -16.021 1.00 13.59 C +ANISOU 102 C LEU A 14 1849 2455 862 -378 -435 251 C +ATOM 103 O LEU A 14 13.761 -34.561 -16.912 1.00 15.18 O +ANISOU 103 O LEU A 14 2015 2722 1029 -269 -580 316 O +ATOM 104 CB LEU A 14 13.007 -34.346 -14.109 1.00 15.40 C +ANISOU 104 CB LEU A 14 1948 2894 1011 -164 -416 309 C +ATOM 105 CG LEU A 14 12.095 -34.931 -13.021 1.00 18.46 C +ANISOU 105 CG LEU A 14 2277 3420 1319 189 -280 264 C +ATOM 106 CD1 LEU A 14 12.802 -35.465 -11.824 1.00 20.59 C +ANISOU 106 CD1 LEU A 14 2620 3693 1509 540 -157 206 C +ATOM 107 CD2 LEU A 14 11.099 -33.863 -12.616 1.00 19.26 C +ANISOU 107 CD2 LEU A 14 2323 3577 1419 282 -136 342 C +ATOM 108 N GLY A 15 15.884 -34.732 -16.233 1.00 12.83 N +ANISOU 108 N GLY A 15 1872 2234 770 -470 -359 166 N +ATOM 109 CA GLY A 15 16.421 -34.430 -17.561 1.00 13.37 C +ANISOU 109 CA GLY A 15 2023 2349 709 -380 -197 169 C +ATOM 110 C GLY A 15 16.638 -32.958 -17.862 1.00 13.40 C +ANISOU 110 C GLY A 15 1992 2371 729 -427 -200 225 C +ATOM 111 O GLY A 15 16.976 -32.583 -18.982 1.00 14.59 O +ANISOU 111 O GLY A 15 2216 2562 763 -389 -76 279 O +ATOM 112 N ASP A 16 16.458 -32.110 -16.865 1.00 12.37 N +ANISOU 112 N ASP A 16 1735 2226 738 -516 -272 230 N +ATOM 113 CA ASP A 16 16.587 -30.671 -17.042 1.00 12.16 C +ANISOU 113 CA ASP A 16 1571 2230 818 -244 -448 203 C +ATOM 114 C ASP A 16 18.013 -30.185 -16.790 1.00 10.95 C +ANISOU 114 C ASP A 16 1365 2018 780 -219 -413 254 C +ATOM 115 O ASP A 16 18.678 -30.639 -15.871 1.00 11.33 O +ANISOU 115 O ASP A 16 1327 2118 861 -58 -409 361 O +ATOM 116 CB ASP A 16 15.634 -29.952 -16.097 1.00 13.97 C +ANISOU 116 CB ASP A 16 1811 2527 969 138 -587 19 C +ATOM 117 CG ASP A 16 15.821 -30.354 -14.626 1.00 15.93 C +ANISOU 117 CG ASP A 16 2062 2786 1205 447 -694 -262 C +ATOM 118 OD1 ASP A 16 16.071 -31.534 -14.259 1.00 15.39 O +ANISOU 118 OD1 ASP A 16 1959 2643 1246 109 -540 -281 O +ATOM 119 OD2 ASP A 16 15.703 -29.442 -13.808 1.00 19.23 O +ANISOU 119 OD2 ASP A 16 2610 3218 1478 1005 -798 -421 O +ATOM 120 N GLN A 17 18.475 -29.255 -17.610 1.00 11.10 N +ANISOU 120 N GLN A 17 1450 2032 735 -106 -388 250 N +ATOM 121 CA GLN A 17 19.814 -28.715 -17.486 1.00 10.85 C +ANISOU 121 CA GLN A 17 1521 1889 711 -184 -306 363 C +ATOM 122 C GLN A 17 19.829 -27.595 -16.459 1.00 10.60 C +ANISOU 122 C GLN A 17 1504 1782 741 -32 -310 317 C +ATOM 123 O GLN A 17 18.941 -26.751 -16.427 1.00 12.07 O +ANISOU 123 O GLN A 17 1716 1965 906 280 -450 219 O +ATOM 124 CB GLN A 17 20.316 -28.209 -18.844 1.00 12.18 C +ANISOU 124 CB GLN A 17 1652 2141 835 -258 -287 457 C +ATOM 125 CG GLN A 17 21.758 -27.751 -18.812 1.00 14.54 C +ANISOU 125 CG GLN A 17 1952 2583 992 -103 -310 489 C +ATOM 126 CD GLN A 17 22.287 -27.446 -20.185 1.00 17.27 C +ANISOU 126 CD GLN A 17 2287 3046 1229 3 -175 537 C +ATOM 127 OE1 GLN A 17 22.240 -28.287 -21.077 1.00 18.17 O +ANISOU 127 OE1 GLN A 17 2427 3202 1275 109 9 539 O +ATOM 128 NE2 GLN A 17 22.785 -26.235 -20.363 1.00 19.13 N +ANISOU 128 NE2 GLN A 17 2490 3369 1408 100 -117 669 N +ATOM 129 N LYS A 18 20.840 -27.593 -15.604 1.00 10.08 N +ANISOU 129 N LYS A 18 1398 1764 667 2 -237 170 N +ATOM 130 CA LYS A 18 21.018 -26.492 -14.671 1.00 10.06 C +ANISOU 130 CA LYS A 18 1413 1711 698 -126 -111 128 C +ATOM 131 C LYS A 18 22.505 -26.273 -14.387 1.00 9.02 C +ANISOU 131 C LYS A 18 1314 1481 633 -5 -100 232 C +ATOM 132 O LYS A 18 23.342 -27.171 -14.572 1.00 10.21 O +ANISOU 132 O LYS A 18 1531 1607 743 159 -150 171 O +ATOM 133 CB LYS A 18 20.213 -26.695 -13.387 1.00 11.76 C +ANISOU 133 CB LYS A 18 1635 1896 939 -91 -75 85 C +ATOM 134 CG LYS A 18 20.555 -27.953 -12.636 1.00 11.84 C +ANISOU 134 CG LYS A 18 1669 1822 1009 179 -65 37 C +ATOM 135 CD LYS A 18 19.393 -28.443 -11.700 1.00 11.04 C +ANISOU 135 CD LYS A 18 1510 1686 999 70 -26 30 C +ATOM 136 CE LYS A 18 18.294 -29.113 -12.468 1.00 12.86 C +ANISOU 136 CE LYS A 18 1783 2076 1027 222 -1 110 C +ATOM 137 NZ LYS A 18 17.133 -29.469 -11.564 1.00 11.12 N +ANISOU 137 NZ LYS A 18 1468 1876 881 18 -51 240 N +ATOM 138 N ASN A 19 22.826 -25.052 -13.983 1.00 8.61 N +ANISOU 138 N ASN A 19 1260 1323 688 98 -58 271 N +ATOM 139 CA ASN A 19 24.161 -24.708 -13.528 1.00 8.68 C +ANISOU 139 CA ASN A 19 1174 1358 767 -105 133 349 C +ATOM 140 C ASN A 19 24.281 -25.031 -12.052 1.00 7.71 C +ANISOU 140 C ASN A 19 988 1283 658 -102 146 125 C +ATOM 141 O ASN A 19 23.318 -24.882 -11.290 1.00 8.44 O +ANISOU 141 O ASN A 19 1065 1464 679 -35 84 50 O +ATOM 142 CB ASN A 19 24.450 -23.218 -13.734 1.00 11.33 C +ANISOU 142 CB ASN A 19 1614 1607 1084 49 179 442 C +ATOM 143 CG ASN A 19 24.465 -22.825 -15.181 1.00 14.31 C +ANISOU 143 CG ASN A 19 2210 1861 1365 395 370 674 C +ATOM 144 OD1 ASN A 19 24.742 -23.641 -16.057 1.00 15.42 O +ANISOU 144 OD1 ASN A 19 2373 2091 1393 434 424 742 O +ATOM 145 ND2 ASN A 19 24.139 -21.571 -15.451 1.00 17.95 N +ANISOU 145 ND2 ASN A 19 2942 2287 1592 869 463 754 N +ATOM 146 N ILE A 20 25.466 -25.458 -11.647 1.00 7.53 N +ANISOU 146 N ILE A 20 1045 1239 577 -74 132 110 N +ATOM 147 CA AILE A 20 25.734 -25.779 -10.252 0.49 7.91 C +ANISOU 147 CA AILE A 20 1140 1326 538 -82 160 57 C +ATOM 148 CA BILE A 20 25.707 -25.707 -10.233 0.51 7.78 C +ANISOU 148 CA BILE A 20 1087 1286 582 -118 138 143 C +ATOM 149 C ILE A 20 27.034 -25.123 -9.798 1.00 7.21 C +ANISOU 149 C ILE A 20 1002 1253 485 -142 177 108 C +ATOM 150 O ILE A 20 28.004 -25.056 -10.565 1.00 7.39 O +ANISOU 150 O ILE A 20 1144 1219 444 -163 150 16 O +ATOM 151 CB AILE A 20 25.817 -27.319 -9.994 0.49 9.21 C +ANISOU 151 CB AILE A 20 1372 1518 610 -107 235 -52 C +ATOM 152 CB BILE A 20 25.686 -27.203 -9.858 0.51 8.78 C +ANISOU 152 CB BILE A 20 1213 1381 743 -209 182 204 C +ATOM 153 CG1AILE A 20 26.746 -28.004 -11.006 0.49 8.88 C +ANISOU 153 CG1AILE A 20 1312 1496 566 -171 186 -181 C +ATOM 154 CG1BILE A 20 26.387 -28.019 -10.938 0.51 8.84 C +ANISOU 154 CG1BILE A 20 1206 1348 806 -61 139 196 C +ATOM 155 CG2AILE A 20 24.418 -27.937 -9.996 0.49 10.26 C +ANISOU 155 CG2AILE A 20 1550 1638 712 12 358 -105 C +ATOM 156 CG2BILE A 20 24.254 -27.691 -9.613 0.51 9.44 C +ANISOU 156 CG2BILE A 20 1298 1475 816 -209 258 124 C +ATOM 157 CD1AILE A 20 26.048 -28.597 -12.219 0.49 8.85 C +ANISOU 157 CD1AILE A 20 1312 1531 521 -44 200 -272 C +ATOM 158 CD1BILE A 20 26.495 -29.472 -10.602 0.51 9.08 C +ANISOU 158 CD1BILE A 20 1238 1392 820 211 213 249 C +ATOM 159 N ASN A 21 27.062 -24.694 -8.549 1.00 6.53 N +ANISOU 159 N ASN A 21 908 1077 497 -119 241 199 N +ATOM 160 CA ASN A 21 28.256 -24.110 -7.960 1.00 6.31 C +ANISOU 160 CA ASN A 21 863 1024 513 -74 247 158 C +ATOM 161 C ASN A 21 29.183 -25.201 -7.482 1.00 5.92 C +ANISOU 161 C ASN A 21 831 944 474 -145 211 126 C +ATOM 162 O ASN A 21 28.794 -26.031 -6.666 1.00 6.92 O +ANISOU 162 O ASN A 21 959 1112 559 -31 245 234 O +ATOM 163 CB ASN A 21 27.874 -23.199 -6.811 1.00 6.71 C +ANISOU 163 CB ASN A 21 946 1015 590 -29 280 62 C +ATOM 164 CG ASN A 21 27.047 -22.027 -7.267 1.00 7.41 C +ANISOU 164 CG ASN A 21 897 1111 808 28 349 66 C +ATOM 165 OD1 ASN A 21 25.862 -21.884 -6.928 1.00 10.02 O +ANISOU 165 OD1 ASN A 21 1138 1522 1147 32 394 119 O +ATOM 166 ND2 ASN A 21 27.658 -21.172 -8.026 1.00 6.58 N +ANISOU 166 ND2 ASN A 21 725 960 814 193 359 192 N +ATOM 167 N THR A 22 30.403 -25.180 -7.995 1.00 5.46 N +ANISOU 167 N THR A 22 857 760 459 -121 159 105 N +ATOM 168 CA THR A 22 31.408 -26.188 -7.700 1.00 5.66 C +ANISOU 168 CA THR A 22 905 798 447 -22 81 111 C +ATOM 169 C THR A 22 32.683 -25.517 -7.192 1.00 6.02 C +ANISOU 169 C THR A 22 929 846 514 -70 147 171 C +ATOM 170 O THR A 22 32.768 -24.286 -7.101 1.00 6.51 O +ANISOU 170 O THR A 22 996 924 552 -88 162 202 O +ATOM 171 CB THR A 22 31.655 -27.078 -8.940 1.00 6.43 C +ANISOU 171 CB THR A 22 1063 869 510 3 44 140 C +ATOM 172 OG1 THR A 22 32.080 -26.281 -10.039 1.00 6.77 O +ANISOU 172 OG1 THR A 22 1058 911 602 -9 125 244 O +ATOM 173 CG2 THR A 22 30.374 -27.807 -9.327 1.00 7.24 C +ANISOU 173 CG2 THR A 22 1292 887 572 -94 -56 96 C +ATOM 174 N THR A 23 33.660 -26.339 -6.824 1.00 6.12 N +ANISOU 174 N THR A 23 905 866 554 -70 112 101 N +ATOM 175 CA THR A 23 34.956 -25.870 -6.355 1.00 7.11 C +ANISOU 175 CA THR A 23 949 1011 742 -54 83 49 C +ATOM 176 C THR A 23 36.034 -26.643 -7.090 1.00 7.68 C +ANISOU 176 C THR A 23 959 1124 835 23 126 -22 C +ATOM 177 O THR A 23 35.992 -27.867 -7.124 1.00 7.95 O +ANISOU 177 O THR A 23 1015 1094 910 54 227 -40 O +ATOM 178 CB THR A 23 35.133 -26.111 -4.849 1.00 7.53 C +ANISOU 178 CB THR A 23 861 1186 813 14 63 27 C +ATOM 179 OG1 THR A 23 34.163 -25.363 -4.120 1.00 7.24 O +ANISOU 179 OG1 THR A 23 823 1188 742 -48 136 -36 O +ATOM 180 CG2 THR A 23 36.500 -25.649 -4.371 1.00 8.41 C +ANISOU 180 CG2 THR A 23 892 1404 901 52 39 -65 C +ATOM 181 N TYR A 24 37.018 -25.935 -7.635 1.00 7.59 N +ANISOU 181 N TYR A 24 917 1084 885 -43 118 -92 N +ATOM 182 CA TYR A 24 38.096 -26.570 -8.356 1.00 8.21 C +ANISOU 182 CA TYR A 24 1027 1185 909 -43 182 -116 C +ATOM 183 C TYR A 24 39.375 -26.625 -7.545 1.00 8.65 C +ANISOU 183 C TYR A 24 965 1360 963 -61 106 -178 C +ATOM 184 O TYR A 24 39.871 -25.610 -7.062 1.00 9.18 O +ANISOU 184 O TYR A 24 1033 1532 924 -24 106 -134 O +ATOM 185 CB TYR A 24 38.375 -25.829 -9.659 1.00 9.16 C +ANISOU 185 CB TYR A 24 1148 1353 979 -91 416 30 C +ATOM 186 CG TYR A 24 39.541 -26.438 -10.395 1.00 10.98 C +ANISOU 186 CG TYR A 24 1431 1588 1152 -53 590 -42 C +ATOM 187 CD1 TYR A 24 39.401 -27.642 -11.074 1.00 11.23 C +ANISOU 187 CD1 TYR A 24 1593 1532 1142 94 513 -211 C +ATOM 188 CD2 TYR A 24 40.806 -25.844 -10.367 1.00 14.00 C +ANISOU 188 CD2 TYR A 24 1776 2119 1426 -14 768 -105 C +ATOM 189 CE1 TYR A 24 40.455 -28.226 -11.734 1.00 13.82 C +ANISOU 189 CE1 TYR A 24 1889 2009 1354 270 665 -218 C +ATOM 190 CE2 TYR A 24 41.877 -26.424 -11.025 1.00 16.21 C +ANISOU 190 CE2 TYR A 24 2031 2525 1603 166 847 -141 C +ATOM 191 CZ TYR A 24 41.696 -27.621 -11.704 1.00 16.40 C +ANISOU 191 CZ TYR A 24 2048 2558 1623 422 964 -198 C +ATOM 192 OH TYR A 24 42.751 -28.202 -12.370 1.00 19.78 O +ANISOU 192 OH TYR A 24 2419 3153 1943 749 1024 -217 O +ATOM 193 N SER A 25 39.872 -27.850 -7.398 1.00 8.83 N +ANISOU 193 N SER A 25 887 1467 1000 -29 80 -208 N +ATOM 194 CA SER A 25 41.201 -28.134 -6.884 1.00 10.81 C +ANISOU 194 CA SER A 25 1095 1915 1098 249 -68 -306 C +ATOM 195 C SER A 25 41.545 -29.535 -7.379 1.00 10.27 C +ANISOU 195 C SER A 25 1060 1767 1076 149 11 -182 C +ATOM 196 O SER A 25 41.134 -30.511 -6.770 1.00 11.16 O +ANISOU 196 O SER A 25 1240 1934 1065 363 -28 -37 O +ATOM 197 CB SER A 25 41.244 -28.088 -5.365 1.00 13.97 C +ANISOU 197 CB SER A 25 1491 2521 1297 707 -266 -404 C +ATOM 198 OG SER A 25 42.571 -28.311 -4.939 1.00 16.70 O +ANISOU 198 OG SER A 25 1949 2913 1484 930 -501 -508 O +ATOM 199 N THR A 26 42.236 -29.594 -8.516 1.00 10.56 N +ANISOU 199 N THR A 26 1120 1759 1134 165 159 -132 N +ATOM 200 CA THR A 26 42.529 -30.810 -9.282 1.00 10.56 C +ANISOU 200 CA THR A 26 1181 1704 1125 263 155 -82 C +ATOM 201 C THR A 26 41.284 -31.395 -9.948 1.00 9.56 C +ANISOU 201 C THR A 26 1172 1505 956 300 195 -2 C +ATOM 202 O THR A 26 41.231 -31.541 -11.169 1.00 10.69 O +ANISOU 202 O THR A 26 1208 1814 1042 314 299 -26 O +ATOM 203 CB THR A 26 43.259 -31.871 -8.441 1.00 12.62 C +ANISOU 203 CB THR A 26 1351 2097 1348 554 -27 -213 C +ATOM 204 OG1 THR A 26 44.438 -31.297 -7.858 1.00 14.68 O +ANISOU 204 OG1 THR A 26 1449 2584 1545 613 -83 -313 O +ATOM 205 CG2 THR A 26 43.677 -33.019 -9.325 1.00 13.46 C +ANISOU 205 CG2 THR A 26 1546 2169 1399 931 -71 -114 C +ATOM 206 N TYR A 27 40.297 -31.729 -9.129 1.00 8.62 N +ANISOU 206 N TYR A 27 1183 1279 812 262 191 152 N +ATOM 207 CA TYR A 27 38.960 -32.075 -9.582 1.00 8.31 C +ANISOU 207 CA TYR A 27 1199 1220 739 225 182 150 C +ATOM 208 C TYR A 27 37.999 -30.920 -9.335 1.00 7.38 C +ANISOU 208 C TYR A 27 1191 991 620 126 120 64 C +ATOM 209 O TYR A 27 38.314 -29.994 -8.599 1.00 8.11 O +ANISOU 209 O TYR A 27 1192 1216 672 141 69 3 O +ATOM 210 CB TYR A 27 38.441 -33.304 -8.823 1.00 8.38 C +ANISOU 210 CB TYR A 27 1197 1181 807 212 138 125 C +ATOM 211 CG TYR A 27 39.084 -34.596 -9.243 1.00 8.15 C +ANISOU 211 CG TYR A 27 1196 1028 873 138 48 139 C +ATOM 212 CD1 TYR A 27 38.575 -35.327 -10.308 1.00 9.44 C +ANISOU 212 CD1 TYR A 27 1357 1288 942 367 -121 -13 C +ATOM 213 CD2 TYR A 27 40.174 -35.112 -8.570 1.00 8.83 C +ANISOU 213 CD2 TYR A 27 1217 1168 970 209 -52 -3 C +ATOM 214 CE1 TYR A 27 39.142 -36.511 -10.716 1.00 9.29 C +ANISOU 214 CE1 TYR A 27 1328 1193 1010 327 -91 41 C +ATOM 215 CE2 TYR A 27 40.756 -36.313 -8.979 1.00 9.09 C +ANISOU 215 CE2 TYR A 27 1174 1185 1093 319 -97 -3 C +ATOM 216 CZ TYR A 27 40.234 -36.995 -10.049 1.00 8.79 C +ANISOU 216 CZ TYR A 27 1142 1046 1152 260 -9 61 C +ATOM 217 OH TYR A 27 40.790 -38.189 -10.425 1.00 10.83 O +ANISOU 217 OH TYR A 27 1303 1317 1494 403 -148 -25 O +ATOM 218 N TYR A 28 36.831 -31.003 -9.951 1.00 7.07 N +ANISOU 218 N TYR A 28 1195 1049 441 259 128 68 N +ATOM 219 CA TYR A 28 35.701 -30.147 -9.636 1.00 6.85 C +ANISOU 219 CA TYR A 28 1163 964 476 66 186 -3 C +ATOM 220 C TYR A 28 34.799 -30.870 -8.656 1.00 7.47 C +ANISOU 220 C TYR A 28 1309 933 596 37 219 27 C +ATOM 221 O TYR A 28 34.308 -31.959 -8.938 1.00 9.16 O +ANISOU 221 O TYR A 28 1770 1046 665 -143 304 36 O +ATOM 222 CB TYR A 28 34.918 -29.799 -10.903 1.00 6.88 C +ANISOU 222 CB TYR A 28 1124 1003 487 12 80 117 C +ATOM 223 CG TYR A 28 35.734 -29.032 -11.908 1.00 7.06 C +ANISOU 223 CG TYR A 28 1136 1075 471 0 114 227 C +ATOM 224 CD1 TYR A 28 35.769 -27.642 -11.898 1.00 7.52 C +ANISOU 224 CD1 TYR A 28 1240 1122 495 -63 105 181 C +ATOM 225 CD2 TYR A 28 36.504 -29.693 -12.861 1.00 7.70 C +ANISOU 225 CD2 TYR A 28 1253 1199 473 112 123 256 C +ATOM 226 CE1 TYR A 28 36.520 -26.946 -12.813 1.00 8.13 C +ANISOU 226 CE1 TYR A 28 1384 1145 561 -119 170 95 C +ATOM 227 CE2 TYR A 28 37.252 -28.986 -13.787 1.00 8.20 C +ANISOU 227 CE2 TYR A 28 1322 1240 552 -23 226 206 C +ATOM 228 CZ TYR A 28 37.268 -27.616 -13.740 1.00 8.81 C +ANISOU 228 CZ TYR A 28 1489 1277 582 -154 277 259 C +ATOM 229 OH TYR A 28 38.025 -26.916 -14.650 1.00 10.24 O +ANISOU 229 OH TYR A 28 1779 1467 644 -301 218 177 O +ATOM 230 N TYR A 29 34.598 -30.260 -7.503 1.00 6.32 N +ANISOU 230 N TYR A 29 933 918 552 -61 198 26 N +ATOM 231 CA TYR A 29 33.833 -30.852 -6.420 1.00 6.52 C +ANISOU 231 CA TYR A 29 922 1069 487 -75 115 107 C +ATOM 232 C TYR A 29 32.476 -30.193 -6.301 1.00 5.88 C +ANISOU 232 C TYR A 29 936 844 454 4 167 143 C +ATOM 233 O TYR A 29 32.349 -28.989 -6.544 1.00 6.12 O +ANISOU 233 O TYR A 29 946 891 489 -9 161 115 O +ATOM 234 CB TYR A 29 34.575 -30.697 -5.098 1.00 7.64 C +ANISOU 234 CB TYR A 29 1085 1282 538 -25 66 24 C +ATOM 235 CG TYR A 29 35.838 -31.505 -5.043 1.00 8.64 C +ANISOU 235 CG TYR A 29 1052 1603 628 35 -22 -110 C +ATOM 236 CD1 TYR A 29 35.819 -32.808 -4.578 1.00 10.23 C +ANISOU 236 CD1 TYR A 29 1237 1900 749 304 -126 -124 C +ATOM 237 CD2 TYR A 29 37.039 -30.976 -5.456 1.00 10.45 C +ANISOU 237 CD2 TYR A 29 1124 2070 778 231 -11 -155 C +ATOM 238 CE1 TYR A 29 36.965 -33.572 -4.518 1.00 12.51 C +ANISOU 238 CE1 TYR A 29 1433 2326 993 610 -157 -233 C +ATOM 239 CE2 TYR A 29 38.195 -31.728 -5.415 1.00 12.21 C +ANISOU 239 CE2 TYR A 29 1174 2542 923 414 -119 -305 C +ATOM 240 CZ TYR A 29 38.155 -33.026 -4.939 1.00 13.63 C +ANISOU 240 CZ TYR A 29 1351 2711 1116 706 -155 -390 C +ATOM 241 OH TYR A 29 39.302 -33.787 -4.874 1.00 16.78 O +ANISOU 241 OH TYR A 29 1726 3217 1434 1180 -196 -467 O +ATOM 242 N LEU A 30 31.476 -30.981 -5.897 1.00 6.02 N +ANISOU 242 N LEU A 30 954 886 447 3 85 208 N +ATOM 243 CA LEU A 30 30.166 -30.433 -5.545 1.00 5.69 C +ANISOU 243 CA LEU A 30 887 887 389 -46 79 76 C +ATOM 244 C LEU A 30 30.236 -29.781 -4.179 1.00 5.31 C +ANISOU 244 C LEU A 30 816 867 334 -127 95 111 C +ATOM 245 O LEU A 30 29.842 -30.331 -3.148 1.00 5.76 O +ANISOU 245 O LEU A 30 885 926 377 -65 108 153 O +ATOM 246 CB LEU A 30 29.055 -31.476 -5.635 1.00 6.40 C +ANISOU 246 CB LEU A 30 970 980 481 -67 129 171 C +ATOM 247 CG LEU A 30 28.768 -32.039 -7.025 1.00 6.69 C +ANISOU 247 CG LEU A 30 1081 1001 459 -109 187 63 C +ATOM 248 CD1 LEU A 30 27.626 -33.046 -6.954 1.00 6.88 C +ANISOU 248 CD1 LEU A 30 1161 1030 425 -7 92 64 C +ATOM 249 CD2 LEU A 30 28.430 -30.950 -7.999 1.00 7.43 C +ANISOU 249 CD2 LEU A 30 1288 1160 375 -95 111 -68 C +ATOM 250 N GLN A 31 30.791 -28.572 -4.212 1.00 5.46 N +ANISOU 250 N GLN A 31 923 821 332 -116 58 121 N +ATOM 251 CA GLN A 31 31.012 -27.719 -3.055 1.00 5.46 C +ANISOU 251 CA GLN A 31 793 850 431 -97 41 30 C +ATOM 252 C GLN A 31 30.685 -26.309 -3.538 1.00 5.46 C +ANISOU 252 C GLN A 31 781 905 390 -46 78 110 C +ATOM 253 O GLN A 31 31.408 -25.729 -4.354 1.00 5.99 O +ANISOU 253 O GLN A 31 803 1016 457 -71 79 79 O +ATOM 254 CB GLN A 31 32.452 -27.819 -2.554 1.00 6.12 C +ANISOU 254 CB GLN A 31 891 886 550 -25 38 26 C +ATOM 255 CG GLN A 31 32.752 -26.844 -1.433 1.00 6.74 C +ANISOU 255 CG GLN A 31 957 991 613 12 42 -38 C +ATOM 256 CD GLN A 31 34.175 -26.976 -0.967 1.00 7.70 C +ANISOU 256 CD GLN A 31 1010 1187 728 59 -53 -29 C +ATOM 257 OE1 GLN A 31 34.700 -28.079 -0.860 1.00 8.77 O +ANISOU 257 OE1 GLN A 31 1050 1382 899 26 -187 -17 O +ATOM 258 NE2 GLN A 31 34.818 -25.852 -0.682 1.00 8.19 N +ANISOU 258 NE2 GLN A 31 1080 1264 768 91 -88 81 N +ATOM 259 N ASP A 32 29.563 -25.800 -3.048 1.00 5.39 N +ANISOU 259 N ASP A 32 792 890 367 -86 119 44 N +ATOM 260 CA ASP A 32 29.056 -24.468 -3.373 1.00 5.96 C +ANISOU 260 CA ASP A 32 832 989 443 -18 158 66 C +ATOM 261 C ASP A 32 29.481 -23.509 -2.277 1.00 6.02 C +ANISOU 261 C ASP A 32 933 884 469 -101 202 43 C +ATOM 262 O ASP A 32 28.984 -23.587 -1.147 1.00 6.36 O +ANISOU 262 O ASP A 32 955 1018 443 -90 224 -19 O +ATOM 263 CB ASP A 32 27.531 -24.570 -3.436 1.00 6.46 C +ANISOU 263 CB ASP A 32 898 1059 497 29 147 101 C +ATOM 264 CG ASP A 32 26.824 -23.252 -3.607 1.00 6.17 C +ANISOU 264 CG ASP A 32 820 936 589 -162 110 -2 C +ATOM 265 OD1 ASP A 32 27.482 -22.198 -3.748 1.00 6.62 O +ANISOU 265 OD1 ASP A 32 956 943 617 -100 136 -26 O +ATOM 266 OD2 ASP A 32 25.570 -23.282 -3.622 1.00 7.03 O +ANISOU 266 OD2 ASP A 32 945 935 792 -82 44 22 O +ATOM 267 N ASN A 33 30.414 -22.611 -2.584 1.00 5.94 N +ANISOU 267 N ASN A 33 892 868 497 -144 228 18 N +ATOM 268 CA ASN A 33 30.945 -21.681 -1.595 1.00 6.57 C +ANISOU 268 CA ASN A 33 939 895 664 -271 195 -42 C +ATOM 269 C ASN A 33 30.146 -20.396 -1.529 1.00 7.14 C +ANISOU 269 C ASN A 33 1008 949 756 -236 200 -121 C +ATOM 270 O ASN A 33 30.462 -19.516 -0.727 1.00 8.19 O +ANISOU 270 O ASN A 33 1215 1033 864 -152 205 -286 O +ATOM 271 CB ASN A 33 32.395 -21.349 -1.900 1.00 6.94 C +ANISOU 271 CB ASN A 33 974 979 683 -246 132 -142 C +ATOM 272 CG ASN A 33 33.235 -22.574 -2.043 1.00 7.20 C +ANISOU 272 CG ASN A 33 988 1063 684 -193 164 -99 C +ATOM 273 OD1 ASN A 33 33.267 -23.417 -1.149 1.00 7.90 O +ANISOU 273 OD1 ASN A 33 1107 1205 692 -83 82 70 O +ATOM 274 ND2 ASN A 33 33.905 -22.708 -3.173 1.00 7.87 N +ANISOU 274 ND2 ASN A 33 1069 1232 688 -20 243 -181 N +ATOM 275 N THR A 34 29.109 -20.273 -2.353 1.00 7.08 N +ANISOU 275 N THR A 34 1047 888 756 -135 82 -180 N +ATOM 276 CA THR A 34 28.370 -19.020 -2.481 1.00 7.51 C +ANISOU 276 CA THR A 34 1098 913 842 -138 121 -38 C +ATOM 277 C THR A 34 27.312 -18.847 -1.406 1.00 7.68 C +ANISOU 277 C THR A 34 1054 959 907 -67 156 -89 C +ATOM 278 O THR A 34 26.725 -17.770 -1.298 1.00 9.00 O +ANISOU 278 O THR A 34 1328 1014 1076 50 273 -66 O +ATOM 279 CB THR A 34 27.682 -18.863 -3.852 1.00 7.94 C +ANISOU 279 CB THR A 34 1145 976 898 -200 217 69 C +ATOM 280 OG1 THR A 34 26.531 -19.707 -3.941 1.00 8.05 O +ANISOU 280 OG1 THR A 34 1049 1045 967 -43 161 -50 O +ATOM 281 CG2 THR A 34 28.629 -19.138 -4.999 1.00 8.50 C +ANISOU 281 CG2 THR A 34 1299 1018 911 -93 277 116 C +ATOM 282 N ARG A 35 27.047 -19.902 -0.640 1.00 7.58 N +ANISOU 282 N ARG A 35 975 1070 836 -51 133 -101 N +ATOM 283 CA ARG A 35 25.981 -19.910 0.345 1.00 7.71 C +ANISOU 283 CA ARG A 35 1002 1176 751 -91 92 -53 C +ATOM 284 C ARG A 35 26.532 -20.316 1.700 1.00 8.03 C +ANISOU 284 C ARG A 35 1030 1243 776 55 28 -243 C +ATOM 285 O ARG A 35 27.012 -21.434 1.878 1.00 9.36 O +ANISOU 285 O ARG A 35 1237 1411 909 137 -266 -442 O +ATOM 286 CB ARG A 35 24.856 -20.841 -0.097 1.00 7.56 C +ANISOU 286 CB ARG A 35 869 1366 638 -82 33 45 C +ATOM 287 CG ARG A 35 24.129 -20.311 -1.315 1.00 7.09 C +ANISOU 287 CG ARG A 35 875 1230 590 -106 30 152 C +ATOM 288 CD ARG A 35 23.139 -21.316 -1.848 1.00 7.06 C +ANISOU 288 CD ARG A 35 939 1181 564 -136 54 85 C +ATOM 289 NE ARG A 35 22.298 -20.790 -2.910 1.00 7.05 N +ANISOU 289 NE ARG A 35 915 1140 623 -7 62 53 N +ATOM 290 CZ ARG A 35 22.387 -21.085 -4.200 1.00 7.56 C +ANISOU 290 CZ ARG A 35 1031 1179 664 99 122 88 C +ATOM 291 NH1 ARG A 35 23.329 -21.881 -4.664 1.00 8.45 N +ANISOU 291 NH1 ARG A 35 1072 1452 686 195 159 120 N +ATOM 292 NH2 ARG A 35 21.492 -20.573 -5.026 1.00 8.79 N +ANISOU 292 NH2 ARG A 35 1222 1463 655 312 89 66 N +ATOM 293 N GLY A 36 26.489 -19.390 2.647 1.00 8.13 N +ANISOU 293 N GLY A 36 1103 1270 715 -74 146 -221 N +ATOM 294 CA GLY A 36 26.889 -19.685 4.002 1.00 8.10 C +ANISOU 294 CA GLY A 36 1160 1289 628 -122 211 -267 C +ATOM 295 C GLY A 36 28.298 -20.236 4.083 1.00 8.67 C +ANISOU 295 C GLY A 36 1142 1465 685 -285 128 -348 C +ATOM 296 O GLY A 36 29.219 -19.720 3.445 1.00 10.10 O +ANISOU 296 O GLY A 36 1184 1886 769 -343 26 -222 O +ATOM 297 N ASN A 37 28.472 -21.282 4.883 1.00 7.93 N +ANISOU 297 N ASN A 37 964 1411 639 -303 83 -354 N +ATOM 298 CA ASN A 37 29.747 -21.978 4.983 1.00 8.68 C +ANISOU 298 CA ASN A 37 992 1558 746 -185 -12 -425 C +ATOM 299 C ASN A 37 29.797 -23.220 4.101 1.00 8.05 C +ANISOU 299 C ASN A 37 1007 1391 662 -155 -4 -313 C +ATOM 300 O ASN A 37 30.547 -24.153 4.351 1.00 8.48 O +ANISOU 300 O ASN A 37 1136 1396 692 -3 -158 -291 O +ATOM 301 CB ASN A 37 30.052 -22.275 6.433 1.00 11.28 C +ANISOU 301 CB ASN A 37 1156 2070 1060 -86 -221 -684 C +ATOM 302 CG ASN A 37 30.380 -21.000 7.200 1.00 12.86 C +ANISOU 302 CG ASN A 37 1363 2146 1378 -400 -263 -728 C +ATOM 303 OD1 ASN A 37 31.316 -20.263 6.856 1.00 15.34 O +ANISOU 303 OD1 ASN A 37 1764 2482 1580 -368 -263 -962 O +ATOM 304 ND2 ASN A 37 29.623 -20.728 8.210 1.00 14.10 N +ANISOU 304 ND2 ASN A 37 1453 2452 1453 -107 -420 -825 N +ATOM 305 N GLY A 38 29.013 -23.180 3.042 1.00 7.25 N +ANISOU 305 N GLY A 38 981 1183 592 -58 -32 -303 N +ATOM 306 CA GLY A 38 29.077 -24.133 1.963 1.00 6.81 C +ANISOU 306 CA GLY A 38 939 1161 485 -98 14 -218 C +ATOM 307 C GLY A 38 27.937 -25.130 1.935 1.00 5.90 C +ANISOU 307 C GLY A 38 774 1088 378 -288 52 -43 C +ATOM 308 O GLY A 38 27.312 -25.444 2.956 1.00 6.88 O +ANISOU 308 O GLY A 38 978 1211 424 -202 97 -15 O +ATOM 309 N ILE A 39 27.701 -25.644 0.735 1.00 5.38 N +ANISOU 309 N ILE A 39 784 968 293 -136 0 -27 N +ATOM 310 CA ILE A 39 26.815 -26.775 0.471 1.00 5.14 C +ANISOU 310 CA ILE A 39 709 970 274 -175 -17 -23 C +ATOM 311 C ILE A 39 27.698 -27.821 -0.180 1.00 5.20 C +ANISOU 311 C ILE A 39 758 941 279 -200 6 39 C +ATOM 312 O ILE A 39 28.385 -27.531 -1.169 1.00 5.36 O +ANISOU 312 O ILE A 39 816 932 289 -120 103 58 O +ATOM 313 CB ILE A 39 25.617 -26.368 -0.419 1.00 5.39 C +ANISOU 313 CB ILE A 39 765 963 321 -210 -23 61 C +ATOM 314 CG1 ILE A 39 24.789 -25.299 0.296 1.00 6.91 C +ANISOU 314 CG1 ILE A 39 1062 1108 454 -44 -62 139 C +ATOM 315 CG2 ILE A 39 24.784 -27.585 -0.772 1.00 6.51 C +ANISOU 315 CG2 ILE A 39 834 1199 440 30 6 93 C +ATOM 316 CD1 ILE A 39 23.641 -24.755 -0.509 1.00 7.90 C +ANISOU 316 CD1 ILE A 39 1235 1204 564 -75 -89 97 C +ATOM 317 N PHE A 40 27.669 -29.023 0.379 1.00 5.12 N +ANISOU 317 N PHE A 40 745 940 259 -101 14 44 N +ATOM 318 CA PHE A 40 28.570 -30.103 0.016 1.00 5.05 C +ANISOU 318 CA PHE A 40 724 927 268 -62 -10 23 C +ATOM 319 C PHE A 40 27.735 -31.329 -0.313 1.00 5.03 C +ANISOU 319 C PHE A 40 823 859 227 -25 22 9 C +ATOM 320 O PHE A 40 26.914 -31.737 0.507 1.00 5.50 O +ANISOU 320 O PHE A 40 885 894 311 -154 139 39 O +ATOM 321 CB PHE A 40 29.488 -30.453 1.197 1.00 5.48 C +ANISOU 321 CB PHE A 40 798 1007 278 -18 -6 38 C +ATOM 322 CG PHE A 40 30.361 -29.327 1.683 1.00 6.45 C +ANISOU 322 CG PHE A 40 844 1251 354 -64 -116 -53 C +ATOM 323 CD1 PHE A 40 29.867 -28.326 2.491 1.00 7.27 C +ANISOU 323 CD1 PHE A 40 1037 1305 419 -55 -215 -101 C +ATOM 324 CD2 PHE A 40 31.695 -29.301 1.358 1.00 7.40 C +ANISOU 324 CD2 PHE A 40 990 1349 471 -121 -55 0 C +ATOM 325 CE1 PHE A 40 30.690 -27.303 2.947 1.00 8.11 C +ANISOU 325 CE1 PHE A 40 1245 1347 487 32 -141 -76 C +ATOM 326 CE2 PHE A 40 32.522 -28.279 1.823 1.00 8.30 C +ANISOU 326 CE2 PHE A 40 1130 1503 522 -272 -104 1 C +ATOM 327 CZ PHE A 40 32.005 -27.287 2.615 1.00 8.42 C +ANISOU 327 CZ PHE A 40 1270 1390 540 -99 -183 50 C +ATOM 328 N THR A 41 27.990 -31.946 -1.462 1.00 5.14 N +ANISOU 328 N THR A 41 726 922 305 -93 -13 103 N +ATOM 329 CA THR A 41 27.253 -33.126 -1.894 1.00 4.98 C +ANISOU 329 CA THR A 41 681 918 294 -170 -71 124 C +ATOM 330 C THR A 41 28.228 -34.275 -2.101 1.00 5.16 C +ANISOU 330 C THR A 41 725 937 299 -151 -5 141 C +ATOM 331 O THR A 41 29.282 -34.103 -2.711 1.00 5.57 O +ANISOU 331 O THR A 41 869 930 318 -64 79 153 O +ATOM 332 CB THR A 41 26.414 -32.807 -3.140 1.00 5.42 C +ANISOU 332 CB THR A 41 719 1001 339 -122 -96 103 C +ATOM 333 OG1 THR A 41 25.530 -31.727 -2.803 1.00 6.39 O +ANISOU 333 OG1 THR A 41 789 1175 465 13 13 228 O +ATOM 334 CG2 THR A 41 25.603 -34.003 -3.569 1.00 5.87 C +ANISOU 334 CG2 THR A 41 755 1067 410 6 -167 131 C +ATOM 335 N TYR A 42 27.838 -35.435 -1.571 1.00 5.24 N +ANISOU 335 N TYR A 42 784 916 290 -107 -37 141 N +ATOM 336 CA TYR A 42 28.678 -36.625 -1.451 1.00 5.55 C +ANISOU 336 CA TYR A 42 872 944 294 -28 -57 143 C +ATOM 337 C TYR A 42 28.070 -37.812 -2.183 1.00 5.39 C +ANISOU 337 C TYR A 42 858 895 294 -65 -49 159 C +ATOM 338 O TYR A 42 26.847 -37.922 -2.322 1.00 5.55 O +ANISOU 338 O TYR A 42 910 903 297 -56 -16 159 O +ATOM 339 CB TYR A 42 28.814 -37.027 0.035 1.00 5.15 C +ANISOU 339 CB TYR A 42 752 926 280 -89 -40 126 C +ATOM 340 CG TYR A 42 29.511 -36.021 0.905 1.00 5.55 C +ANISOU 340 CG TYR A 42 832 989 286 -9 -51 123 C +ATOM 341 CD1 TYR A 42 28.855 -34.882 1.345 1.00 5.93 C +ANISOU 341 CD1 TYR A 42 913 1029 312 -99 -74 123 C +ATOM 342 CD2 TYR A 42 30.829 -36.201 1.304 1.00 6.15 C +ANISOU 342 CD2 TYR A 42 849 1159 329 36 -77 96 C +ATOM 343 CE1 TYR A 42 29.478 -33.964 2.146 1.00 7.29 C +ANISOU 343 CE1 TYR A 42 1143 1240 388 -108 -138 145 C +ATOM 344 CE2 TYR A 42 31.458 -35.283 2.090 1.00 7.38 C +ANISOU 344 CE2 TYR A 42 898 1411 496 -163 -221 -37 C +ATOM 345 CZ TYR A 42 30.780 -34.153 2.501 1.00 7.81 C +ANISOU 345 CZ TYR A 42 1166 1284 518 -248 -206 -131 C +ATOM 346 OH TYR A 42 31.373 -33.198 3.293 1.00 9.98 O +ANISOU 346 OH TYR A 42 1416 1623 752 -311 -151 -309 O +ATOM 347 N ASP A 43 28.950 -38.722 -2.595 1.00 5.70 N +ANISOU 347 N ASP A 43 872 915 378 -21 -32 103 N +ATOM 348 CA ASP A 43 28.581 -39.991 -3.218 1.00 5.79 C +ANISOU 348 CA ASP A 43 966 845 391 -61 -11 129 C +ATOM 349 C ASP A 43 28.657 -41.097 -2.173 1.00 5.51 C +ANISOU 349 C ASP A 43 816 967 310 16 -35 60 C +ATOM 350 O ASP A 43 29.733 -41.384 -1.652 1.00 6.36 O +ANISOU 350 O ASP A 43 914 1102 400 37 16 132 O +ATOM 351 CB ASP A 43 29.559 -40.298 -4.353 1.00 6.98 C +ANISOU 351 CB ASP A 43 1328 879 447 -32 -28 168 C +ATOM 352 CG ASP A 43 29.141 -41.472 -5.222 1.00 8.49 C +ANISOU 352 CG ASP A 43 1639 1039 548 -176 164 210 C +ATOM 353 OD1 ASP A 43 28.065 -42.058 -4.974 1.00 8.65 O +ANISOU 353 OD1 ASP A 43 1704 1039 542 -206 -125 223 O +ATOM 354 OD2 ASP A 43 29.932 -41.790 -6.156 1.00 10.58 O +ANISOU 354 OD2 ASP A 43 2138 1249 631 -190 264 98 O +ATOM 355 N ALA A 44 27.518 -41.707 -1.861 1.00 5.10 N +ANISOU 355 N ALA A 44 781 827 330 -21 -39 140 N +ATOM 356 CA ALA A 44 27.495 -42.871 -0.980 1.00 5.35 C +ANISOU 356 CA ALA A 44 864 849 321 -25 17 218 C +ATOM 357 C ALA A 44 27.713 -44.210 -1.711 1.00 5.15 C +ANISOU 357 C ALA A 44 821 817 320 -75 62 200 C +ATOM 358 O ALA A 44 27.829 -45.248 -1.065 1.00 5.52 O +ANISOU 358 O ALA A 44 922 856 320 -25 66 211 O +ATOM 359 CB ALA A 44 26.223 -42.917 -0.171 1.00 5.99 C +ANISOU 359 CB ALA A 44 996 957 325 107 7 81 C +ATOM 360 N LYS A 45 27.773 -44.190 -3.047 1.00 5.41 N +ANISOU 360 N LYS A 45 862 841 353 -39 37 180 N +ATOM 361 CA LYS A 45 28.274 -45.332 -3.840 1.00 6.38 C +ANISOU 361 CA LYS A 45 908 969 546 0 123 53 C +ATOM 362 C LYS A 45 27.482 -46.614 -3.632 1.00 5.85 C +ANISOU 362 C LYS A 45 892 830 502 26 156 90 C +ATOM 363 O LYS A 45 28.046 -47.706 -3.682 1.00 6.42 O +ANISOU 363 O LYS A 45 964 849 628 84 171 152 O +ATOM 364 CB LYS A 45 29.766 -45.569 -3.587 1.00 8.58 C +ANISOU 364 CB LYS A 45 1021 1241 999 36 222 -51 C +ATOM 365 CG LYS A 45 30.568 -44.313 -3.651 1.00 10.58 C +ANISOU 365 CG LYS A 45 1027 1629 1363 28 277 -240 C +ATOM 366 CD LYS A 45 32.042 -44.529 -3.425 1.00 11.45 C +ANISOU 366 CD LYS A 45 939 1723 1687 -157 353 -451 C +ATOM 367 CE LYS A 45 32.708 -43.199 -3.483 1.00 12.66 C +ANISOU 367 CE LYS A 45 962 1805 2041 -54 388 -540 C +ATOM 368 NZ LYS A 45 34.133 -43.269 -3.302 1.00 13.17 N +ANISOU 368 NZ LYS A 45 1014 1715 2276 -45 309 -712 N +ATOM 369 N TYR A 46 26.177 -46.470 -3.405 1.00 5.73 N +ANISOU 369 N TYR A 46 891 870 417 31 112 75 N +ATOM 370 CA TYR A 46 25.243 -47.570 -3.190 1.00 6.06 C +ANISOU 370 CA TYR A 46 898 930 475 -77 63 -13 C +ATOM 371 C TYR A 46 25.426 -48.263 -1.853 1.00 6.07 C +ANISOU 371 C TYR A 46 960 858 490 -15 141 109 C +ATOM 372 O TYR A 46 24.791 -49.286 -1.601 1.00 6.63 O +ANISOU 372 O TYR A 46 1035 887 597 17 123 166 O +ATOM 373 CB TYR A 46 25.309 -48.616 -4.278 1.00 6.99 C +ANISOU 373 CB TYR A 46 1040 1061 553 -96 112 28 C +ATOM 374 CG TYR A 46 25.102 -48.110 -5.689 1.00 8.02 C +ANISOU 374 CG TYR A 46 1159 1309 578 -90 66 17 C +ATOM 375 CD1 TYR A 46 24.108 -47.193 -6.010 1.00 9.12 C +ANISOU 375 CD1 TYR A 46 1472 1399 594 45 -139 -40 C +ATOM 376 CD2 TYR A 46 25.896 -48.590 -6.716 1.00 10.58 C +ANISOU 376 CD2 TYR A 46 1451 1941 628 231 138 98 C +ATOM 377 CE1 TYR A 46 23.915 -46.784 -7.312 1.00 10.29 C +ANISOU 377 CE1 TYR A 46 1673 1586 649 27 -206 -73 C +ATOM 378 CE2 TYR A 46 25.725 -48.177 -8.004 1.00 11.45 C +ANISOU 378 CE2 TYR A 46 1636 2129 587 35 74 82 C +ATOM 379 CZ TYR A 46 24.732 -47.275 -8.302 1.00 10.21 C +ANISOU 379 CZ TYR A 46 1705 1604 572 -284 -118 119 C +ATOM 380 OH TYR A 46 24.525 -46.862 -9.601 1.00 11.94 O +ANISOU 380 OH TYR A 46 2016 1843 678 -281 -283 135 O +ATOM 381 N ARG A 47 26.259 -47.703 -0.986 1.00 6.22 N +ANISOU 381 N ARG A 47 1082 808 474 3 155 279 N +ATOM 382 CA ARG A 47 26.466 -48.255 0.342 1.00 6.58 C +ANISOU 382 CA ARG A 47 1024 963 513 134 118 279 C +ATOM 383 C ARG A 47 25.815 -47.367 1.393 1.00 6.11 C +ANISOU 383 C ARG A 47 842 1026 455 -26 58 249 C +ATOM 384 O ARG A 47 25.129 -46.398 1.061 1.00 6.12 O +ANISOU 384 O ARG A 47 865 1049 411 81 103 268 O +ATOM 385 CB ARG A 47 27.943 -48.517 0.574 1.00 8.62 C +ANISOU 385 CB ARG A 47 1203 1427 646 221 249 294 C +ATOM 386 CG ARG A 47 28.442 -49.588 -0.423 1.00 9.84 C +ANISOU 386 CG ARG A 47 1497 1499 744 201 184 183 C +ATOM 387 CD ARG A 47 29.873 -49.981 -0.202 1.00 9.47 C +ANISOU 387 CD ARG A 47 1558 1277 763 316 90 109 C +ATOM 388 NE ARG A 47 30.032 -50.677 1.064 1.00 9.09 N +ANISOU 388 NE ARG A 47 1377 1371 705 277 63 86 N +ATOM 389 CZ ARG A 47 30.052 -51.995 1.202 1.00 8.68 C +ANISOU 389 CZ ARG A 47 1292 1375 631 182 -2 29 C +ATOM 390 NH1 ARG A 47 29.959 -52.794 0.155 1.00 8.98 N +ANISOU 390 NH1 ARG A 47 1387 1407 619 72 17 40 N +ATOM 391 NH2 ARG A 47 30.161 -52.511 2.394 1.00 8.45 N +ANISOU 391 NH2 ARG A 47 1381 1261 568 252 72 -3 N +ATOM 392 N THR A 48 25.985 -47.727 2.661 1.00 6.62 N +ANISOU 392 N THR A 48 807 1234 472 105 155 280 N +ATOM 393 CA THR A 48 25.276 -47.064 3.735 1.00 7.16 C +ANISOU 393 CA THR A 48 693 1510 519 -10 98 294 C +ATOM 394 C THR A 48 26.215 -46.381 4.726 1.00 7.11 C +ANISOU 394 C THR A 48 856 1360 487 92 142 283 C +ATOM 395 O THR A 48 25.776 -45.859 5.750 1.00 7.59 O +ANISOU 395 O THR A 48 953 1411 522 98 226 249 O +ATOM 396 CB THR A 48 24.322 -48.025 4.444 1.00 9.07 C +ANISOU 396 CB THR A 48 955 1904 586 -120 -40 307 C +ATOM 397 OG1 THR A 48 25.072 -49.153 4.924 1.00 10.18 O +ANISOU 397 OG1 THR A 48 1169 1946 751 -108 -69 530 O +ATOM 398 CG2 THR A 48 23.244 -48.487 3.491 1.00 9.55 C +ANISOU 398 CG2 THR A 48 1068 1967 594 -209 0 263 C +ATOM 399 N THR A 49 27.505 -46.336 4.405 1.00 7.06 N +ANISOU 399 N THR A 49 934 1289 458 36 31 85 N +ATOM 400 CA ATHR A 49 28.437 -45.590 5.218 0.47 7.30 C +ANISOU 400 CA ATHR A 49 999 1331 442 -10 -5 155 C +ATOM 401 CA BTHR A 49 28.484 -45.578 5.166 0.53 7.72 C +ANISOU 401 CA BTHR A 49 1038 1395 499 39 37 119 C +ATOM 402 C THR A 49 28.352 -44.115 4.783 1.00 7.41 C +ANISOU 402 C THR A 49 1141 1272 404 -103 38 216 C +ATOM 403 O THR A 49 28.332 -43.782 3.596 1.00 9.21 O +ANISOU 403 O THR A 49 1623 1407 470 -47 104 205 O +ATOM 404 CB ATHR A 49 29.849 -46.207 5.133 0.47 8.09 C +ANISOU 404 CB ATHR A 49 1032 1525 516 30 -118 93 C +ATOM 405 CB BTHR A 49 29.897 -46.075 4.841 0.53 9.32 C +ANISOU 405 CB BTHR A 49 1137 1709 694 166 19 -4 C +ATOM 406 OG1ATHR A 49 30.243 -46.324 3.774 0.47 8.50 O +ANISOU 406 OG1ATHR A 49 1061 1638 532 184 -67 158 O +ATOM 407 OG1BTHR A 49 30.012 -47.427 5.283 0.53 9.39 O +ANISOU 407 OG1BTHR A 49 969 1845 752 321 58 -15 O +ATOM 408 CG2ATHR A 49 29.836 -47.601 5.685 0.47 8.08 C +ANISOU 408 CG2ATHR A 49 972 1587 510 11 -120 86 C +ATOM 409 CG2BTHR A 49 30.952 -45.218 5.522 0.53 10.13 C +ANISOU 409 CG2BTHR A 49 1279 1771 799 107 76 -94 C +ATOM 410 N LEU A 50 28.247 -43.232 5.766 1.00 6.64 N +ANISOU 410 N LEU A 50 934 1193 396 -46 -63 239 N +ATOM 411 CA LEU A 50 28.012 -41.817 5.514 1.00 6.81 C +ANISOU 411 CA LEU A 50 971 1201 417 -128 -30 258 C +ATOM 412 C LEU A 50 29.128 -40.966 6.080 1.00 7.49 C +ANISOU 412 C LEU A 50 932 1414 499 -257 -137 281 C +ATOM 413 O LEU A 50 29.667 -41.260 7.145 1.00 8.79 O +ANISOU 413 O LEU A 50 1133 1641 566 -183 -199 294 O +ATOM 414 CB LEU A 50 26.690 -41.392 6.144 1.00 6.50 C +ANISOU 414 CB LEU A 50 968 1132 371 -110 -38 197 C +ATOM 415 CG LEU A 50 25.446 -41.972 5.458 1.00 6.10 C +ANISOU 415 CG LEU A 50 958 1006 353 28 -8 231 C +ATOM 416 CD1 LEU A 50 24.188 -41.630 6.264 1.00 6.82 C +ANISOU 416 CD1 LEU A 50 1096 1085 411 105 73 255 C +ATOM 417 CD2 LEU A 50 25.317 -41.458 4.026 1.00 6.96 C +ANISOU 417 CD2 LEU A 50 1005 1252 386 -24 -32 215 C +ATOM 418 N PRO A 51 29.428 -39.849 5.414 1.00 7.33 N +ANISOU 418 N PRO A 51 959 1328 499 -271 -167 270 N +ATOM 419 CA PRO A 51 28.725 -39.326 4.230 1.00 7.46 C +ANISOU 419 CA PRO A 51 891 1377 566 -130 -21 400 C +ATOM 420 C PRO A 51 29.139 -39.951 2.906 1.00 6.61 C +ANISOU 420 C PRO A 51 782 1181 550 -140 -27 393 C +ATOM 421 O PRO A 51 28.476 -39.720 1.890 1.00 6.73 O +ANISOU 421 O PRO A 51 812 1282 465 75 -53 300 O +ATOM 422 CB PRO A 51 29.142 -37.852 4.219 1.00 8.11 C +ANISOU 422 CB PRO A 51 1063 1413 604 -250 -44 279 C +ATOM 423 CG PRO A 51 30.498 -37.854 4.845 1.00 8.58 C +ANISOU 423 CG PRO A 51 1244 1353 664 -296 -80 251 C +ATOM 424 CD PRO A 51 30.399 -38.884 5.947 1.00 8.30 C +ANISOU 424 CD PRO A 51 1167 1375 612 -256 -132 219 C +ATOM 425 N GLY A 52 30.227 -40.711 2.896 1.00 7.05 N +ANISOU 425 N GLY A 52 874 1243 563 -58 -92 348 N +ATOM 426 CA GLY A 52 30.813 -41.149 1.649 1.00 6.94 C +ANISOU 426 CA GLY A 52 976 1129 530 45 -64 238 C +ATOM 427 C GLY A 52 31.850 -40.152 1.184 1.00 7.31 C +ANISOU 427 C GLY A 52 963 1338 476 -208 -1 155 C +ATOM 428 O GLY A 52 32.464 -39.489 1.998 1.00 10.16 O +ANISOU 428 O GLY A 52 1339 1897 624 -471 57 103 O +ATOM 429 N SER A 53 32.052 -40.010 -0.114 1.00 7.07 N +ANISOU 429 N SER A 53 1135 1144 405 -102 39 240 N +ATOM 430 CA ASER A 53 33.127 -39.186 -0.665 0.65 6.97 C +ANISOU 430 CA ASER A 53 1104 1116 427 -131 -11 243 C +ATOM 431 CA BSER A 53 33.132 -39.140 -0.571 0.35 6.97 C +ANISOU 431 CA BSER A 53 1110 1122 416 -73 -24 163 C +ATOM 432 C SER A 53 32.577 -37.888 -1.233 1.00 6.40 C +ANISOU 432 C SER A 53 1012 1043 376 -29 -44 108 C +ATOM 433 O SER A 53 31.590 -37.913 -1.973 1.00 6.50 O +ANISOU 433 O SER A 53 880 1158 432 -90 21 115 O +ATOM 434 CB ASER A 53 33.786 -39.941 -1.806 0.65 8.52 C +ANISOU 434 CB ASER A 53 1368 1302 566 50 -32 250 C +ATOM 435 CB BSER A 53 34.142 -39.873 -1.473 0.35 7.98 C +ANISOU 435 CB BSER A 53 1262 1256 515 87 -59 86 C +ATOM 436 OG ASER A 53 34.192 -41.225 -1.382 0.65 9.73 O +ANISOU 436 OG ASER A 53 1494 1480 723 273 103 328 O +ATOM 437 OG BSER A 53 33.547 -40.425 -2.628 0.35 8.04 O +ANISOU 437 OG BSER A 53 1165 1297 592 59 -121 -34 O +ATOM 438 N LEU A 54 33.208 -36.768 -0.930 1.00 6.15 N +ANISOU 438 N LEU A 54 927 1063 347 -92 -159 70 N +ATOM 439 CA LEU A 54 32.797 -35.513 -1.539 1.00 5.39 C +ANISOU 439 CA LEU A 54 827 910 312 -104 -104 16 C +ATOM 440 C LEU A 54 32.816 -35.690 -3.053 1.00 5.69 C +ANISOU 440 C LEU A 54 899 923 340 29 -96 -5 C +ATOM 441 O LEU A 54 33.790 -36.191 -3.617 1.00 6.58 O +ANISOU 441 O LEU A 54 951 1129 421 160 -35 47 O +ATOM 442 CB LEU A 54 33.712 -34.368 -1.105 1.00 6.42 C +ANISOU 442 CB LEU A 54 910 1144 386 -93 -63 7 C +ATOM 443 CG LEU A 54 33.276 -32.986 -1.582 1.00 6.98 C +ANISOU 443 CG LEU A 54 1022 1169 459 -164 -112 15 C +ATOM 444 CD1 LEU A 54 31.944 -32.587 -0.966 1.00 7.47 C +ANISOU 444 CD1 LEU A 54 1159 1212 466 9 -58 27 C +ATOM 445 CD2 LEU A 54 34.352 -31.961 -1.249 1.00 8.20 C +ANISOU 445 CD2 LEU A 54 1220 1336 561 -117 -154 -48 C +ATOM 446 N TRP A 55 31.751 -35.283 -3.724 1.00 5.79 N +ANISOU 446 N TRP A 55 927 974 299 81 -40 133 N +ATOM 447 CA TRP A 55 31.597 -35.615 -5.134 1.00 5.62 C +ANISOU 447 CA TRP A 55 962 869 303 -35 -1 92 C +ATOM 448 C TRP A 55 32.633 -34.908 -5.979 1.00 6.63 C +ANISOU 448 C TRP A 55 1057 1045 417 69 58 119 C +ATOM 449 O TRP A 55 32.688 -33.689 -6.001 1.00 7.20 O +ANISOU 449 O TRP A 55 1144 974 619 35 244 95 O +ATOM 450 CB TRP A 55 30.197 -35.218 -5.610 1.00 5.90 C +ANISOU 450 CB TRP A 55 988 924 330 -70 -54 50 C +ATOM 451 CG TRP A 55 29.839 -35.799 -6.920 1.00 6.05 C +ANISOU 451 CG TRP A 55 968 999 331 79 -93 35 C +ATOM 452 CD1 TRP A 55 30.333 -35.460 -8.150 1.00 5.57 C +ANISOU 452 CD1 TRP A 55 972 790 353 -32 -102 42 C +ATOM 453 CD2 TRP A 55 28.934 -36.881 -7.139 1.00 5.70 C +ANISOU 453 CD2 TRP A 55 954 929 284 12 -105 41 C +ATOM 454 NE1 TRP A 55 29.772 -36.257 -9.117 1.00 5.92 N +ANISOU 454 NE1 TRP A 55 998 970 280 6 -39 119 N +ATOM 455 CE2 TRP A 55 28.911 -37.137 -8.521 1.00 5.83 C +ANISOU 455 CE2 TRP A 55 979 972 263 -11 -59 37 C +ATOM 456 CE3 TRP A 55 28.134 -37.655 -6.304 1.00 6.74 C +ANISOU 456 CE3 TRP A 55 1120 1107 333 77 -86 91 C +ATOM 457 CZ2 TRP A 55 28.117 -38.133 -9.083 1.00 6.24 C +ANISOU 457 CZ2 TRP A 55 1059 1007 306 -43 -69 114 C +ATOM 458 CZ3 TRP A 55 27.365 -38.646 -6.848 1.00 6.73 C +ANISOU 458 CZ3 TRP A 55 1147 1083 328 -36 -54 57 C +ATOM 459 CH2 TRP A 55 27.344 -38.871 -8.229 1.00 6.67 C +ANISOU 459 CH2 TRP A 55 1188 1012 334 -88 -93 75 C +ATOM 460 N ALA A 56 33.421 -35.696 -6.696 1.00 6.42 N +ANISOU 460 N ALA A 56 1020 988 430 35 82 127 N +ATOM 461 CA ALA A 56 34.520 -35.221 -7.532 1.00 6.75 C +ANISOU 461 CA ALA A 56 1001 1159 405 51 69 186 C +ATOM 462 C ALA A 56 34.233 -35.548 -8.991 1.00 7.23 C +ANISOU 462 C ALA A 56 1258 1060 430 24 89 139 C +ATOM 463 O ALA A 56 33.813 -36.664 -9.315 1.00 8.46 O +ANISOU 463 O ALA A 56 1483 1175 555 -54 77 197 O +ATOM 464 CB ALA A 56 35.812 -35.896 -7.105 1.00 7.81 C +ANISOU 464 CB ALA A 56 964 1487 515 30 131 246 C +ATOM 465 N ASP A 57 34.512 -34.598 -9.872 1.00 6.99 N +ANISOU 465 N ASP A 57 1287 943 424 4 21 56 N +ATOM 466 CA ASP A 57 34.261 -34.743 -11.298 1.00 7.23 C +ANISOU 466 CA ASP A 57 1254 1092 403 76 22 32 C +ATOM 467 C ASP A 57 35.420 -34.127 -12.076 1.00 7.08 C +ANISOU 467 C ASP A 57 1237 1089 364 101 87 24 C +ATOM 468 O ASP A 57 35.898 -33.051 -11.747 1.00 7.71 O +ANISOU 468 O ASP A 57 1313 1215 403 -38 102 -51 O +ATOM 469 CB ASP A 57 32.954 -34.048 -11.659 1.00 7.00 C +ANISOU 469 CB ASP A 57 1210 1029 419 -11 57 88 C +ATOM 470 CG ASP A 57 32.569 -34.252 -13.104 1.00 6.85 C +ANISOU 470 CG ASP A 57 1209 967 427 -41 125 144 C +ATOM 471 OD1 ASP A 57 31.893 -35.255 -13.423 1.00 7.47 O +ANISOU 471 OD1 ASP A 57 1295 1082 460 -55 102 29 O +ATOM 472 OD2 ASP A 57 32.967 -33.428 -13.949 1.00 7.26 O +ANISOU 472 OD2 ASP A 57 1311 1034 415 32 136 146 O +ATOM 473 N ALA A 58 35.856 -34.782 -13.137 1.00 7.20 N +ANISOU 473 N ALA A 58 1136 1156 444 145 133 33 N +ATOM 474 CA ALA A 58 37.049 -34.345 -13.835 1.00 8.00 C +ANISOU 474 CA ALA A 58 1174 1280 587 153 194 47 C +ATOM 475 C ALA A 58 36.867 -33.065 -14.646 1.00 7.76 C +ANISOU 475 C ALA A 58 1155 1242 552 -71 194 92 C +ATOM 476 O ALA A 58 37.816 -32.302 -14.786 1.00 9.08 O +ANISOU 476 O ALA A 58 1280 1454 714 71 101 166 O +ATOM 477 CB ALA A 58 37.567 -35.460 -14.726 1.00 9.01 C +ANISOU 477 CB ALA A 58 1266 1411 746 425 215 -1 C +ATOM 478 N ASP A 59 35.675 -32.826 -15.190 1.00 7.78 N +ANISOU 478 N ASP A 59 1122 1287 547 -100 210 51 N +ATOM 479 CA ASP A 59 35.519 -31.787 -16.199 1.00 7.51 C +ANISOU 479 CA ASP A 59 1179 1151 522 -21 259 72 C +ATOM 480 C ASP A 59 34.458 -30.720 -15.912 1.00 7.27 C +ANISOU 480 C ASP A 59 1184 1121 458 58 264 139 C +ATOM 481 O ASP A 59 34.250 -29.819 -16.732 1.00 7.98 O +ANISOU 481 O ASP A 59 1398 1215 418 97 132 146 O +ATOM 482 CB ASP A 59 35.324 -32.390 -17.602 1.00 8.30 C +ANISOU 482 CB ASP A 59 1301 1310 540 74 218 46 C +ATOM 483 CG ASP A 59 34.023 -33.133 -17.753 1.00 8.76 C +ANISOU 483 CG ASP A 59 1445 1321 563 54 168 -24 C +ATOM 484 OD1 ASP A 59 33.237 -33.173 -16.789 1.00 7.92 O +ANISOU 484 OD1 ASP A 59 1205 1317 485 87 180 77 O +ATOM 485 OD2 ASP A 59 33.779 -33.692 -18.842 1.00 10.56 O +ANISOU 485 OD2 ASP A 59 1658 1679 677 -188 231 -33 O +ATOM 486 N ASN A 60 33.817 -30.780 -14.747 1.00 7.02 N +ANISOU 486 N ASN A 60 1189 1029 451 56 195 77 N +ATOM 487 CA ASN A 60 32.789 -29.799 -14.382 1.00 7.60 C +ANISOU 487 CA ASN A 60 1205 1167 513 21 134 65 C +ATOM 488 C ASN A 60 31.512 -29.891 -15.199 1.00 7.37 C +ANISOU 488 C ASN A 60 1232 1117 450 44 122 68 C +ATOM 489 O ASN A 60 30.702 -28.977 -15.176 1.00 8.01 O +ANISOU 489 O ASN A 60 1298 1129 617 104 39 -6 O +ATOM 490 CB ASN A 60 33.357 -28.370 -14.432 1.00 7.80 C +ANISOU 490 CB ASN A 60 1240 1084 641 37 74 178 C +ATOM 491 CG ASN A 60 32.828 -27.473 -13.311 1.00 7.65 C +ANISOU 491 CG ASN A 60 1168 1045 692 71 -15 215 C +ATOM 492 OD1 ASN A 60 32.278 -27.918 -12.288 1.00 7.43 O +ANISOU 492 OD1 ASN A 60 1131 999 694 165 45 2 O +ATOM 493 ND2 ASN A 60 32.980 -26.183 -13.515 1.00 8.64 N +ANISOU 493 ND2 ASN A 60 1323 1112 849 191 76 180 N +ATOM 494 N GLN A 61 31.340 -31.009 -15.896 1.00 7.30 N +ANISOU 494 N GLN A 61 1198 1147 428 58 109 126 N +ATOM 495 CA AGLN A 61 30.127 -31.303 -16.646 0.58 7.61 C +ANISOU 495 CA AGLN A 61 1249 1214 427 -40 65 92 C +ATOM 496 CA BGLN A 61 30.122 -31.297 -16.638 0.42 7.90 C +ANISOU 496 CA BGLN A 61 1285 1274 441 -7 82 68 C +ATOM 497 C GLN A 61 29.474 -32.519 -16.007 1.00 6.84 C +ANISOU 497 C GLN A 61 1134 1125 340 -62 71 50 C +ATOM 498 O GLN A 61 30.131 -33.544 -15.784 1.00 7.31 O +ANISOU 498 O GLN A 61 1196 1197 386 31 65 37 O +ATOM 499 CB AGLN A 61 30.456 -31.608 -18.108 0.58 9.80 C +ANISOU 499 CB AGLN A 61 1589 1550 587 62 115 255 C +ATOM 500 CB BGLN A 61 30.432 -31.570 -18.109 0.42 10.32 C +ANISOU 500 CB BGLN A 61 1642 1672 608 100 137 135 C +ATOM 501 CG AGLN A 61 31.453 -30.647 -18.732 0.58 12.84 C +ANISOU 501 CG AGLN A 61 2021 2009 849 266 150 342 C +ATOM 502 CG BGLN A 61 31.178 -30.444 -18.807 0.42 13.25 C +ANISOU 502 CG BGLN A 61 2064 2136 835 250 181 158 C +ATOM 503 CD AGLN A 61 30.992 -29.221 -18.672 0.58 16.04 C +ANISOU 503 CD AGLN A 61 2452 2542 1101 560 112 463 C +ATOM 504 CD BGLN A 61 31.411 -30.731 -20.272 0.42 16.46 C +ANISOU 504 CD BGLN A 61 2506 2691 1059 405 178 199 C +ATOM 505 OE1AGLN A 61 29.934 -28.884 -19.185 0.58 17.61 O +ANISOU 505 OE1AGLN A 61 2646 2809 1236 763 134 724 O +ATOM 506 OE1BGLN A 61 30.564 -31.329 -20.944 0.42 18.03 O +ANISOU 506 OE1BGLN A 61 2788 2925 1137 530 194 245 O +ATOM 507 NE2AGLN A 61 31.793 -28.363 -18.040 0.58 16.90 N +ANISOU 507 NE2AGLN A 61 2634 2609 1177 630 97 354 N +ATOM 508 NE2BGLN A 61 32.561 -30.307 -20.781 0.42 17.29 N +ANISOU 508 NE2BGLN A 61 2584 2836 1147 435 205 236 N +ATOM 509 N PHE A 62 28.180 -32.425 -15.729 1.00 6.56 N +ANISOU 509 N PHE A 62 1059 1107 326 33 56 146 N +ATOM 510 CA PHE A 62 27.492 -33.428 -14.929 1.00 6.77 C +ANISOU 510 CA PHE A 62 1123 1136 313 12 77 83 C +ATOM 511 C PHE A 62 26.259 -33.949 -15.655 1.00 7.24 C +ANISOU 511 C PHE A 62 1225 1198 329 -35 56 66 C +ATOM 512 O PHE A 62 25.141 -33.827 -15.166 1.00 7.43 O +ANISOU 512 O PHE A 62 1185 1292 346 -62 -47 64 O +ATOM 513 CB PHE A 62 27.113 -32.831 -13.569 1.00 6.66 C +ANISOU 513 CB PHE A 62 1151 1076 306 45 7 58 C +ATOM 514 CG PHE A 62 28.292 -32.373 -12.724 1.00 6.65 C +ANISOU 514 CG PHE A 62 1160 1047 319 118 -40 -15 C +ATOM 515 CD1 PHE A 62 28.885 -31.136 -12.940 1.00 6.77 C +ANISOU 515 CD1 PHE A 62 1166 1063 345 55 61 -9 C +ATOM 516 CD2 PHE A 62 28.776 -33.165 -11.687 1.00 6.57 C +ANISOU 516 CD2 PHE A 62 1121 979 398 102 -92 -49 C +ATOM 517 CE1 PHE A 62 29.940 -30.716 -12.161 1.00 6.78 C +ANISOU 517 CE1 PHE A 62 1184 1014 377 54 166 78 C +ATOM 518 CE2 PHE A 62 29.832 -32.748 -10.914 1.00 7.07 C +ANISOU 518 CE2 PHE A 62 1162 1069 457 179 -97 -15 C +ATOM 519 CZ PHE A 62 30.405 -31.520 -11.140 1.00 7.14 C +ANISOU 519 CZ PHE A 62 1177 1079 456 83 16 -14 C +ATOM 520 N PHE A 63 26.500 -34.562 -16.816 1.00 7.79 N +ANISOU 520 N PHE A 63 1315 1301 343 11 -53 76 N +ATOM 521 CA PHE A 63 25.429 -35.056 -17.677 1.00 8.84 C +ANISOU 521 CA PHE A 63 1461 1480 419 -80 -144 31 C +ATOM 522 C PHE A 63 25.280 -36.568 -17.677 1.00 9.63 C +ANISOU 522 C PHE A 63 1644 1559 456 -78 -157 -36 C +ATOM 523 O PHE A 63 24.453 -37.099 -18.423 1.00 10.65 O +ANISOU 523 O PHE A 63 1879 1619 549 -233 -196 -40 O +ATOM 524 CB PHE A 63 25.631 -34.581 -19.125 1.00 9.83 C +ANISOU 524 CB PHE A 63 1553 1686 497 -177 -173 93 C +ATOM 525 CG PHE A 63 25.488 -33.100 -19.299 1.00 10.65 C +ANISOU 525 CG PHE A 63 1675 1719 651 -373 -267 286 C +ATOM 526 CD1 PHE A 63 24.248 -32.543 -19.530 1.00 11.76 C +ANISOU 526 CD1 PHE A 63 1860 1882 726 -146 -256 370 C +ATOM 527 CD2 PHE A 63 26.579 -32.257 -19.211 1.00 12.83 C +ANISOU 527 CD2 PHE A 63 1994 2005 877 -224 -366 275 C +ATOM 528 CE1 PHE A 63 24.105 -31.183 -19.689 1.00 12.51 C +ANISOU 528 CE1 PHE A 63 2015 1901 836 -82 -303 351 C +ATOM 529 CE2 PHE A 63 26.435 -30.883 -19.379 1.00 13.28 C +ANISOU 529 CE2 PHE A 63 2099 1975 972 -257 -413 226 C +ATOM 530 CZ PHE A 63 25.197 -30.348 -19.627 1.00 13.24 C +ANISOU 530 CZ PHE A 63 2173 1909 949 -17 -388 274 C +ATOM 531 N ALA A 64 26.083 -37.281 -16.894 1.00 8.94 N +ANISOU 531 N ALA A 64 1633 1336 428 -112 -49 -17 N +ATOM 532 CA ALA A 64 25.944 -38.738 -16.813 1.00 9.82 C +ANISOU 532 CA ALA A 64 1922 1293 515 -114 -101 -94 C +ATOM 533 C ALA A 64 24.727 -39.096 -15.983 1.00 9.61 C +ANISOU 533 C ALA A 64 1887 1240 526 -226 -137 -55 C +ATOM 534 O ALA A 64 24.344 -38.364 -15.074 1.00 9.32 O +ANISOU 534 O ALA A 64 1832 1225 482 -127 -85 -44 O +ATOM 535 CB ALA A 64 27.190 -39.363 -16.199 1.00 10.54 C +ANISOU 535 CB ALA A 64 2082 1351 570 54 -76 -173 C +ATOM 536 N SER A 65 24.114 -40.229 -16.262 1.00 10.53 N +ANISOU 536 N SER A 65 1925 1480 595 -247 -152 -212 N +ATOM 537 CA ASER A 65 22.967 -40.686 -15.495 0.40 11.15 C +ANISOU 537 CA ASER A 65 1996 1633 609 -323 -155 -160 C +ATOM 538 CA BSER A 65 22.952 -40.638 -15.494 0.33 10.74 C +ANISOU 538 CA BSER A 65 1944 1530 605 -344 -131 -180 C +ATOM 539 CA CSER A 65 22.964 -40.674 -15.493 0.26 10.89 C +ANISOU 539 CA CSER A 65 1969 1564 605 -338 -98 -192 C +ATOM 540 C SER A 65 23.310 -40.733 -14.007 1.00 10.12 C +ANISOU 540 C SER A 65 1845 1435 566 -354 -82 -161 C +ATOM 541 O SER A 65 22.526 -40.323 -13.165 1.00 10.26 O +ANISOU 541 O SER A 65 1805 1471 622 -235 -80 -141 O +ATOM 542 CB ASER A 65 22.533 -42.068 -15.980 0.40 12.63 C +ANISOU 542 CB ASER A 65 2215 1934 649 -274 -174 -146 C +ATOM 543 CB BSER A 65 22.375 -41.956 -16.022 0.33 11.37 C +ANISOU 543 CB BSER A 65 2058 1621 640 -347 -108 -218 C +ATOM 544 CB CSER A 65 22.493 -42.044 -15.976 0.26 11.84 C +ANISOU 544 CB CSER A 65 2125 1728 646 -342 -16 -236 C +ATOM 545 OG ASER A 65 22.339 -42.064 -17.381 0.40 13.37 O +ANISOU 545 OG ASER A 65 2353 2044 682 -294 -196 -123 O +ATOM 546 OG BSER A 65 23.345 -42.984 -16.013 0.33 11.33 O +ANISOU 546 OG BSER A 65 2082 1550 671 -392 -93 -246 O +ATOM 547 OG CSER A 65 21.393 -42.487 -15.203 0.26 12.17 O +ANISOU 547 OG CSER A 65 2211 1728 686 -404 62 -263 O +ATOM 548 N TYR A 66 24.504 -41.241 -13.689 1.00 9.42 N +ANISOU 548 N TYR A 66 1755 1328 497 -247 13 -132 N +ATOM 549 CA TYR A 66 24.937 -41.379 -12.300 1.00 8.59 C +ANISOU 549 CA TYR A 66 1664 1155 444 -139 69 -70 C +ATOM 550 C TYR A 66 25.040 -40.016 -11.603 1.00 7.43 C +ANISOU 550 C TYR A 66 1386 1066 369 -138 19 -34 C +ATOM 551 O TYR A 66 24.914 -39.914 -10.380 1.00 7.50 O +ANISOU 551 O TYR A 66 1341 1161 349 -51 33 -34 O +ATOM 552 CB TYR A 66 26.281 -42.127 -12.234 1.00 9.35 C +ANISOU 552 CB TYR A 66 1782 1289 482 -64 109 -106 C +ATOM 553 CG TYR A 66 26.665 -42.587 -10.842 1.00 9.73 C +ANISOU 553 CG TYR A 66 1929 1210 559 35 89 -153 C +ATOM 554 CD1 TYR A 66 26.134 -43.748 -10.300 1.00 9.84 C +ANISOU 554 CD1 TYR A 66 2006 1126 607 -130 -9 -119 C +ATOM 555 CD2 TYR A 66 27.557 -41.863 -10.065 1.00 10.06 C +ANISOU 555 CD2 TYR A 66 1956 1208 659 -71 56 -213 C +ATOM 556 CE1 TYR A 66 26.471 -44.175 -9.030 1.00 10.39 C +ANISOU 556 CE1 TYR A 66 2189 1061 698 -51 -123 -93 C +ATOM 557 CE2 TYR A 66 27.907 -42.282 -8.788 1.00 10.57 C +ANISOU 557 CE2 TYR A 66 2113 1143 760 -92 -91 -228 C +ATOM 558 CZ TYR A 66 27.358 -43.436 -8.270 1.00 11.16 C +ANISOU 558 CZ TYR A 66 2376 1097 766 116 -248 -139 C +ATOM 559 OH TYR A 66 27.675 -43.871 -6.996 1.00 12.41 O +ANISOU 559 OH TYR A 66 2746 1061 908 167 -476 -150 O +ATOM 560 N ASP A 67 25.279 -38.957 -12.374 1.00 6.79 N +ANISOU 560 N ASP A 67 1237 1017 328 -79 48 -27 N +ATOM 561 CA ASP A 67 25.438 -37.608 -11.823 1.00 6.40 C +ANISOU 561 CA ASP A 67 1091 1045 297 -31 85 39 C +ATOM 562 C ASP A 67 24.107 -36.988 -11.416 1.00 6.15 C +ANISOU 562 C ASP A 67 1068 969 301 -117 54 35 C +ATOM 563 O ASP A 67 24.080 -36.088 -10.574 1.00 6.42 O +ANISOU 563 O ASP A 67 1121 1008 310 -93 6 -76 O +ATOM 564 CB ASP A 67 26.076 -36.661 -12.854 1.00 6.40 C +ANISOU 564 CB ASP A 67 1101 1004 329 -111 130 30 C +ATOM 565 CG ASP A 67 27.450 -37.084 -13.348 1.00 6.87 C +ANISOU 565 CG ASP A 67 1130 1124 355 -131 118 90 C +ATOM 566 OD1 ASP A 67 28.147 -37.843 -12.647 1.00 7.41 O +ANISOU 566 OD1 ASP A 67 1102 1320 391 -12 87 124 O +ATOM 567 OD2 ASP A 67 27.845 -36.582 -14.431 1.00 7.40 O +ANISOU 567 OD2 ASP A 67 1248 1179 385 -46 210 31 O +ATOM 568 N ALA A 68 23.013 -37.413 -12.043 1.00 6.89 N +ANISOU 568 N ALA A 68 1152 1161 306 -7 70 -6 N +ATOM 569 CA ALA A 68 21.757 -36.659 -11.931 1.00 6.92 C +ANISOU 569 CA ALA A 68 1098 1212 319 -54 -48 3 C +ATOM 570 C ALA A 68 21.253 -36.452 -10.490 1.00 6.17 C +ANISOU 570 C ALA A 68 898 1124 322 -136 -39 17 C +ATOM 571 O ALA A 68 20.851 -35.348 -10.140 1.00 6.67 O +ANISOU 571 O ALA A 68 1097 1051 384 -50 -102 67 O +ATOM 572 CB ALA A 68 20.663 -37.292 -12.805 1.00 7.93 C +ANISOU 572 CB ALA A 68 1268 1373 372 -29 -89 -93 C +ATOM 573 N PRO A 69 21.291 -37.490 -9.647 1.00 6.22 N +ANISOU 573 N PRO A 69 1037 1014 313 -81 -64 -121 N +ATOM 574 CA PRO A 69 20.798 -37.261 -8.279 1.00 6.04 C +ANISOU 574 CA PRO A 69 989 1001 303 -83 -107 -68 C +ATOM 575 C PRO A 69 21.666 -36.280 -7.498 1.00 5.89 C +ANISOU 575 C PRO A 69 1013 952 273 33 -19 -44 C +ATOM 576 O PRO A 69 21.175 -35.552 -6.643 1.00 5.68 O +ANISOU 576 O PRO A 69 946 940 271 -22 -50 -2 O +ATOM 577 CB PRO A 69 20.836 -38.661 -7.650 1.00 6.99 C +ANISOU 577 CB PRO A 69 1091 1129 436 -214 -166 -77 C +ATOM 578 CG PRO A 69 20.755 -39.600 -8.850 1.00 7.62 C +ANISOU 578 CG PRO A 69 1263 1173 460 -60 -50 -30 C +ATOM 579 CD PRO A 69 21.573 -38.913 -9.903 1.00 6.97 C +ANISOU 579 CD PRO A 69 1138 1118 392 -40 11 -28 C +ATOM 580 N ALA A 70 22.961 -36.254 -7.804 1.00 5.10 N +ANISOU 580 N ALA A 70 896 797 245 -55 -23 -54 N +ATOM 581 CA ALA A 70 23.874 -35.346 -7.143 1.00 5.79 C +ANISOU 581 CA ALA A 70 991 910 299 -67 -139 -28 C +ATOM 582 C ALA A 70 23.609 -33.910 -7.588 1.00 5.39 C +ANISOU 582 C ALA A 70 957 803 287 -104 -124 15 C +ATOM 583 O ALA A 70 23.582 -32.993 -6.766 1.00 5.82 O +ANISOU 583 O ALA A 70 1019 913 282 -60 -87 -2 O +ATOM 584 CB ALA A 70 25.305 -35.745 -7.435 1.00 6.41 C +ANISOU 584 CB ALA A 70 1117 960 357 -135 -22 39 C +ATOM 585 N VAL A 71 23.431 -33.693 -8.885 1.00 5.43 N +ANISOU 585 N VAL A 71 951 834 277 19 -97 46 N +ATOM 586 CA VAL A 71 23.102 -32.378 -9.419 1.00 5.45 C +ANISOU 586 CA VAL A 71 939 855 276 -38 -104 76 C +ATOM 587 C VAL A 71 21.897 -31.800 -8.685 1.00 5.59 C +ANISOU 587 C VAL A 71 986 852 285 -35 -98 85 C +ATOM 588 O VAL A 71 21.921 -30.659 -8.241 1.00 5.79 O +ANISOU 588 O VAL A 71 953 903 342 -50 -57 44 O +ATOM 589 CB VAL A 71 22.849 -32.477 -10.944 1.00 6.04 C +ANISOU 589 CB VAL A 71 1075 908 312 3 -143 41 C +ATOM 590 CG1 VAL A 71 22.214 -31.202 -11.481 1.00 6.85 C +ANISOU 590 CG1 VAL A 71 1148 1126 326 -5 -49 143 C +ATOM 591 CG2 VAL A 71 24.137 -32.775 -11.687 1.00 6.52 C +ANISOU 591 CG2 VAL A 71 1161 981 337 63 -90 118 C +ATOM 592 N ASP A 72 20.829 -32.579 -8.560 1.00 5.84 N +ANISOU 592 N ASP A 72 958 905 355 -106 -129 101 N +ATOM 593 CA ASP A 72 19.601 -32.063 -7.961 1.00 6.01 C +ANISOU 593 CA ASP A 72 872 1056 357 -70 -202 21 C +ATOM 594 C ASP A 72 19.713 -31.899 -6.443 1.00 5.20 C +ANISOU 594 C ASP A 72 757 932 288 -121 -98 90 C +ATOM 595 O ASP A 72 19.201 -30.925 -5.889 1.00 5.57 O +ANISOU 595 O ASP A 72 849 966 301 55 -37 53 O +ATOM 596 CB ASP A 72 18.408 -32.956 -8.313 1.00 6.29 C +ANISOU 596 CB ASP A 72 980 1078 334 -22 -167 90 C +ATOM 597 CG ASP A 72 17.866 -32.699 -9.711 1.00 6.79 C +ANISOU 597 CG ASP A 72 1079 1141 360 -89 -135 133 C +ATOM 598 OD1 ASP A 72 18.198 -31.650 -10.291 1.00 7.46 O +ANISOU 598 OD1 ASP A 72 1104 1309 420 -71 -137 206 O +ATOM 599 OD2 ASP A 72 17.104 -33.568 -10.188 1.00 7.65 O +ANISOU 599 OD2 ASP A 72 1217 1286 404 -123 -198 19 O +ATOM 600 N ALA A 73 20.359 -32.829 -5.746 1.00 5.06 N +ANISOU 600 N ALA A 73 786 871 266 21 -143 36 N +ATOM 601 CA ALA A 73 20.531 -32.646 -4.312 1.00 5.16 C +ANISOU 601 CA ALA A 73 799 892 269 -79 -113 38 C +ATOM 602 C ALA A 73 21.265 -31.333 -4.042 1.00 5.04 C +ANISOU 602 C ALA A 73 783 877 256 -35 -41 12 C +ATOM 603 O ALA A 73 20.925 -30.585 -3.126 1.00 5.17 O +ANISOU 603 O ALA A 73 851 868 248 -80 -45 23 O +ATOM 604 CB ALA A 73 21.285 -33.799 -3.694 1.00 5.63 C +ANISOU 604 CB ALA A 73 772 1050 316 -50 -100 17 C +ATOM 605 N HIS A 74 22.301 -31.087 -4.834 1.00 5.02 N +ANISOU 605 N HIS A 74 746 839 323 -98 -75 39 N +ATOM 606 CA HIS A 74 23.162 -29.927 -4.662 1.00 5.17 C +ANISOU 606 CA HIS A 74 754 891 321 -138 -102 17 C +ATOM 607 C HIS A 74 22.384 -28.646 -4.995 1.00 4.85 C +ANISOU 607 C HIS A 74 823 765 255 -123 -90 25 C +ATOM 608 O HIS A 74 22.355 -27.691 -4.216 1.00 5.36 O +ANISOU 608 O HIS A 74 841 897 298 -78 -82 33 O +ATOM 609 CB HIS A 74 24.365 -30.104 -5.595 1.00 5.17 C +ANISOU 609 CB HIS A 74 818 837 309 -32 -13 -4 C +ATOM 610 CG HIS A 74 25.522 -29.238 -5.258 1.00 5.33 C +ANISOU 610 CG HIS A 74 859 889 277 -9 -20 67 C +ATOM 611 ND1 HIS A 74 26.222 -29.366 -4.078 1.00 5.52 N +ANISOU 611 ND1 HIS A 74 899 908 288 -30 71 151 N +ATOM 612 CD2 HIS A 74 26.141 -28.273 -5.969 1.00 5.85 C +ANISOU 612 CD2 HIS A 74 920 974 329 -104 -11 47 C +ATOM 613 CE1 HIS A 74 27.212 -28.495 -4.071 1.00 5.16 C +ANISOU 613 CE1 HIS A 74 764 889 308 -177 45 134 C +ATOM 614 NE2 HIS A 74 27.184 -27.820 -5.204 1.00 5.40 N +ANISOU 614 NE2 HIS A 74 837 881 335 -215 43 59 N +ATOM 615 N TYR A 75 21.745 -28.641 -6.157 1.00 5.29 N +ANISOU 615 N TYR A 75 960 777 272 -44 -94 48 N +ATOM 616 CA TYR A 75 21.037 -27.464 -6.638 1.00 5.63 C +ANISOU 616 CA TYR A 75 864 971 302 -58 -112 81 C +ATOM 617 C TYR A 75 19.837 -27.132 -5.743 1.00 5.09 C +ANISOU 617 C TYR A 75 838 842 255 16 -106 92 C +ATOM 618 O TYR A 75 19.612 -25.980 -5.379 1.00 5.09 O +ANISOU 618 O TYR A 75 846 832 256 25 -61 123 O +ATOM 619 CB TYR A 75 20.600 -27.680 -8.088 1.00 6.31 C +ANISOU 619 CB TYR A 75 963 991 443 -52 -131 97 C +ATOM 620 CG TYR A 75 19.924 -26.473 -8.688 1.00 7.28 C +ANISOU 620 CG TYR A 75 1015 1185 566 9 -141 165 C +ATOM 621 CD1 TYR A 75 20.649 -25.528 -9.388 1.00 8.43 C +ANISOU 621 CD1 TYR A 75 1086 1347 770 -92 -142 298 C +ATOM 622 CD2 TYR A 75 18.558 -26.277 -8.550 1.00 8.07 C +ANISOU 622 CD2 TYR A 75 1080 1361 623 -14 -253 188 C +ATOM 623 CE1 TYR A 75 20.032 -24.415 -9.929 1.00 9.87 C +ANISOU 623 CE1 TYR A 75 1318 1492 940 77 -153 545 C +ATOM 624 CE2 TYR A 75 17.945 -25.173 -9.067 1.00 9.87 C +ANISOU 624 CE2 TYR A 75 1249 1652 849 184 -218 330 C +ATOM 625 CZ TYR A 75 18.680 -24.243 -9.754 1.00 10.98 C +ANISOU 625 CZ TYR A 75 1492 1640 1041 324 -301 491 C +ATOM 626 OH TYR A 75 18.054 -23.135 -10.273 1.00 14.44 O +ANISOU 626 OH TYR A 75 1971 2107 1407 621 -391 633 O +ATOM 627 N TYR A 76 19.030 -28.129 -5.402 1.00 4.92 N +ANISOU 627 N TYR A 76 797 800 272 20 -46 91 N +ATOM 628 CA TYR A 76 17.851 -27.870 -4.604 1.00 4.86 C +ANISOU 628 CA TYR A 76 747 846 255 31 -15 96 C +ATOM 629 C TYR A 76 18.192 -27.533 -3.144 1.00 4.76 C +ANISOU 629 C TYR A 76 735 844 228 -55 28 33 C +ATOM 630 O TYR A 76 17.439 -26.801 -2.494 1.00 5.39 O +ANISOU 630 O TYR A 76 813 943 293 58 89 33 O +ATOM 631 CB TYR A 76 16.843 -29.022 -4.685 1.00 5.36 C +ANISOU 631 CB TYR A 76 844 871 322 88 -158 124 C +ATOM 632 CG TYR A 76 16.217 -29.197 -6.053 1.00 5.69 C +ANISOU 632 CG TYR A 76 884 931 345 23 -174 166 C +ATOM 633 CD1 TYR A 76 15.892 -28.111 -6.858 1.00 6.05 C +ANISOU 633 CD1 TYR A 76 974 1004 323 -34 -163 94 C +ATOM 634 CD2 TYR A 76 15.959 -30.456 -6.542 1.00 5.94 C +ANISOU 634 CD2 TYR A 76 897 991 369 -72 -226 72 C +ATOM 635 CE1 TYR A 76 15.331 -28.290 -8.104 1.00 6.96 C +ANISOU 635 CE1 TYR A 76 1135 1142 369 40 -173 151 C +ATOM 636 CE2 TYR A 76 15.394 -30.655 -7.794 1.00 6.60 C +ANISOU 636 CE2 TYR A 76 989 1157 361 -56 -159 120 C +ATOM 637 CZ TYR A 76 15.094 -29.563 -8.579 1.00 7.11 C +ANISOU 637 CZ TYR A 76 1052 1253 395 -71 -209 63 C +ATOM 638 OH TYR A 76 14.549 -29.695 -9.837 1.00 8.48 O +ANISOU 638 OH TYR A 76 1087 1657 479 -80 -177 90 O +ATOM 639 N ALA A 77 19.320 -28.007 -2.624 1.00 4.96 N +ANISOU 639 N ALA A 77 836 826 222 -10 -44 -2 N +ATOM 640 CA ALA A 77 19.770 -27.515 -1.325 1.00 4.87 C +ANISOU 640 CA ALA A 77 799 816 236 -58 -36 11 C +ATOM 641 C ALA A 77 20.040 -26.012 -1.412 1.00 5.08 C +ANISOU 641 C ALA A 77 778 906 246 -57 -35 -10 C +ATOM 642 O ALA A 77 19.750 -25.278 -0.484 1.00 5.58 O +ANISOU 642 O ALA A 77 893 908 319 -24 -27 -38 O +ATOM 643 CB ALA A 77 21.010 -28.273 -0.848 1.00 5.21 C +ANISOU 643 CB ALA A 77 872 849 258 -89 -67 -43 C +ATOM 644 N GLY A 78 20.606 -25.555 -2.534 1.00 5.29 N +ANISOU 644 N GLY A 78 837 871 302 14 43 64 N +ATOM 645 CA GLY A 78 20.829 -24.130 -2.745 1.00 5.72 C +ANISOU 645 CA GLY A 78 867 919 387 -15 14 133 C +ATOM 646 C GLY A 78 19.543 -23.331 -2.770 1.00 5.57 C +ANISOU 646 C GLY A 78 891 772 452 -144 -31 95 C +ATOM 647 O GLY A 78 19.446 -22.266 -2.161 1.00 6.13 O +ANISOU 647 O GLY A 78 962 835 531 -140 -10 0 O +ATOM 648 N VAL A 79 18.535 -23.841 -3.473 1.00 5.65 N +ANISOU 648 N VAL A 79 861 890 396 -103 -41 40 N +ATOM 649 CA VAL A 79 17.253 -23.148 -3.514 1.00 6.18 C +ANISOU 649 CA VAL A 79 929 957 463 6 -128 18 C +ATOM 650 C VAL A 79 16.649 -23.057 -2.112 1.00 5.66 C +ANISOU 650 C VAL A 79 929 781 440 0 -158 -55 C +ATOM 651 O VAL A 79 16.093 -22.022 -1.726 1.00 6.40 O +ANISOU 651 O VAL A 79 984 920 527 -39 -82 36 O +ATOM 652 CB VAL A 79 16.252 -23.865 -4.451 1.00 6.70 C +ANISOU 652 CB VAL A 79 948 1116 481 31 -31 36 C +ATOM 653 CG1 VAL A 79 14.917 -23.149 -4.439 1.00 8.60 C +ANISOU 653 CG1 VAL A 79 1113 1546 610 323 -92 -50 C +ATOM 654 CG2 VAL A 79 16.778 -23.927 -5.896 1.00 7.16 C +ANISOU 654 CG2 VAL A 79 1048 1229 443 141 55 -55 C +ATOM 655 N THR A 80 16.741 -24.144 -1.360 1.00 5.23 N +ANISOU 655 N THR A 80 844 804 339 30 -13 80 N +ATOM 656 CA THR A 80 16.186 -24.179 -0.019 1.00 5.09 C +ANISOU 656 CA THR A 80 713 902 319 -67 31 82 C +ATOM 657 C THR A 80 16.915 -23.213 0.908 1.00 5.10 C +ANISOU 657 C THR A 80 689 872 379 -27 27 69 C +ATOM 658 O THR A 80 16.282 -22.493 1.678 1.00 5.66 O +ANISOU 658 O THR A 80 865 863 425 61 38 -19 O +ATOM 659 CB THR A 80 16.197 -25.617 0.539 1.00 5.58 C +ANISOU 659 CB THR A 80 900 906 315 -128 -28 -78 C +ATOM 660 OG1 THR A 80 15.492 -26.472 -0.358 1.00 6.05 O +ANISOU 660 OG1 THR A 80 913 1055 330 -178 40 -130 O +ATOM 661 CG2 THR A 80 15.512 -25.679 1.872 1.00 6.22 C +ANISOU 661 CG2 THR A 80 1039 1026 297 -73 9 67 C +ATOM 662 N TYR A 81 18.240 -23.158 0.810 1.00 5.47 N +ANISOU 662 N TYR A 81 694 945 437 -134 32 10 N +ATOM 663 CA TYR A 81 19.015 -22.173 1.550 1.00 5.79 C +ANISOU 663 CA TYR A 81 788 912 499 -55 34 52 C +ATOM 664 C TYR A 81 18.538 -20.767 1.208 1.00 5.80 C +ANISOU 664 C TYR A 81 896 813 495 -90 21 41 C +ATOM 665 O TYR A 81 18.346 -19.936 2.089 1.00 5.95 O +ANISOU 665 O TYR A 81 883 883 495 -59 49 -75 O +ATOM 666 CB TYR A 81 20.522 -22.339 1.219 1.00 5.70 C +ANISOU 666 CB TYR A 81 721 934 512 -53 41 56 C +ATOM 667 CG TYR A 81 21.384 -21.301 1.902 1.00 5.91 C +ANISOU 667 CG TYR A 81 757 1032 457 -77 -6 -19 C +ATOM 668 CD1 TYR A 81 21.494 -20.019 1.374 1.00 6.59 C +ANISOU 668 CD1 TYR A 81 1002 1068 434 -107 15 -24 C +ATOM 669 CD2 TYR A 81 22.054 -21.579 3.083 1.00 5.95 C +ANISOU 669 CD2 TYR A 81 901 934 426 -81 35 7 C +ATOM 670 CE1 TYR A 81 22.245 -19.037 2.015 1.00 6.51 C +ANISOU 670 CE1 TYR A 81 1023 988 462 -96 -78 -54 C +ATOM 671 CE2 TYR A 81 22.797 -20.602 3.737 1.00 6.26 C +ANISOU 671 CE2 TYR A 81 895 995 488 -86 -79 -120 C +ATOM 672 CZ TYR A 81 22.870 -19.331 3.196 1.00 6.52 C +ANISOU 672 CZ TYR A 81 962 960 553 -171 -129 -158 C +ATOM 673 OH TYR A 81 23.561 -18.339 3.831 1.00 7.44 O +ANISOU 673 OH TYR A 81 1060 1044 722 -116 -100 -191 O +ATOM 674 N ASP A 82 18.345 -20.501 -0.070 1.00 5.93 N +ANISOU 674 N ASP A 82 896 884 475 -79 27 69 N +ATOM 675 CA ASP A 82 17.923 -19.176 -0.507 1.00 6.22 C +ANISOU 675 CA ASP A 82 960 871 532 -74 109 135 C +ATOM 676 C ASP A 82 16.544 -18.830 0.047 1.00 6.23 C +ANISOU 676 C ASP A 82 984 812 573 -58 64 0 C +ATOM 677 O ASP A 82 16.291 -17.696 0.443 1.00 6.57 O +ANISOU 677 O ASP A 82 1097 751 647 -29 117 15 O +ATOM 678 CB ASP A 82 17.885 -19.072 -2.029 1.00 6.64 C +ANISOU 678 CB ASP A 82 1057 929 536 52 94 123 C +ATOM 679 CG ASP A 82 19.245 -19.082 -2.682 1.00 7.25 C +ANISOU 679 CG ASP A 82 1097 1078 580 52 17 48 C +ATOM 680 OD1 ASP A 82 20.284 -18.989 -1.975 1.00 7.43 O +ANISOU 680 OD1 ASP A 82 1082 966 777 20 7 -6 O +ATOM 681 OD2 ASP A 82 19.242 -19.191 -3.935 1.00 8.67 O +ANISOU 681 OD2 ASP A 82 1287 1374 633 89 74 78 O +ATOM 682 N TYR A 83 15.632 -19.789 0.049 1.00 5.95 N +ANISOU 682 N TYR A 83 900 827 532 7 0 -75 N +ATOM 683 CA TYR A 83 14.320 -19.561 0.609 1.00 5.99 C +ANISOU 683 CA TYR A 83 873 858 544 58 -4 -16 C +ATOM 684 C TYR A 83 14.431 -19.129 2.064 1.00 5.98 C +ANISOU 684 C TYR A 83 796 895 582 -25 -9 -76 C +ATOM 685 O TYR A 83 13.858 -18.114 2.483 1.00 6.39 O +ANISOU 685 O TYR A 83 928 880 621 29 66 -52 O +ATOM 686 CB TYR A 83 13.437 -20.821 0.462 1.00 5.89 C +ANISOU 686 CB TYR A 83 790 872 578 38 -36 0 C +ATOM 687 CG TYR A 83 12.139 -20.721 1.228 1.00 6.44 C +ANISOU 687 CG TYR A 83 852 998 596 -48 -45 -7 C +ATOM 688 CD1 TYR A 83 11.031 -20.051 0.695 1.00 6.92 C +ANISOU 688 CD1 TYR A 83 937 1091 599 -60 -47 -67 C +ATOM 689 CD2 TYR A 83 12.015 -21.263 2.496 1.00 6.76 C +ANISOU 689 CD2 TYR A 83 963 994 611 -81 -87 -89 C +ATOM 690 CE1 TYR A 83 9.857 -19.944 1.416 1.00 6.95 C +ANISOU 690 CE1 TYR A 83 900 1162 579 -42 19 -53 C +ATOM 691 CE2 TYR A 83 10.845 -21.137 3.225 1.00 6.79 C +ANISOU 691 CE2 TYR A 83 991 1055 533 -75 -92 -63 C +ATOM 692 CZ TYR A 83 9.769 -20.470 2.686 1.00 6.65 C +ANISOU 692 CZ TYR A 83 908 1045 573 -75 54 -21 C +ATOM 693 OH TYR A 83 8.624 -20.352 3.443 1.00 7.35 O +ANISOU 693 OH TYR A 83 943 1234 615 -121 -17 -39 O +ATOM 694 N TYR A 84 15.113 -19.927 2.876 1.00 6.03 N +ANISOU 694 N TYR A 84 906 848 536 35 -18 -54 N +ATOM 695 CA TYR A 84 15.181 -19.593 4.294 1.00 5.76 C +ANISOU 695 CA TYR A 84 877 789 525 -122 10 -37 C +ATOM 696 C TYR A 84 15.869 -18.237 4.535 1.00 6.32 C +ANISOU 696 C TYR A 84 938 846 618 -144 86 -25 C +ATOM 697 O TYR A 84 15.434 -17.467 5.387 1.00 6.93 O +ANISOU 697 O TYR A 84 972 973 687 -5 52 -152 O +ATOM 698 CB TYR A 84 15.832 -20.720 5.086 1.00 6.27 C +ANISOU 698 CB TYR A 84 944 916 523 -94 -32 7 C +ATOM 699 CG TYR A 84 14.852 -21.824 5.432 1.00 5.66 C +ANISOU 699 CG TYR A 84 841 796 514 -93 -74 -32 C +ATOM 700 CD1 TYR A 84 13.881 -21.622 6.398 1.00 6.18 C +ANISOU 700 CD1 TYR A 84 937 864 546 19 -22 -83 C +ATOM 701 CD2 TYR A 84 14.881 -23.055 4.779 1.00 5.79 C +ANISOU 701 CD2 TYR A 84 857 858 486 -93 -25 -34 C +ATOM 702 CE1 TYR A 84 12.985 -22.608 6.729 1.00 6.39 C +ANISOU 702 CE1 TYR A 84 900 927 602 -123 37 -94 C +ATOM 703 CE2 TYR A 84 13.977 -24.049 5.101 1.00 5.99 C +ANISOU 703 CE2 TYR A 84 895 896 485 -126 -20 -31 C +ATOM 704 CZ TYR A 84 13.011 -23.818 6.064 1.00 6.03 C +ANISOU 704 CZ TYR A 84 807 906 580 -215 -14 -22 C +ATOM 705 OH TYR A 84 12.089 -24.768 6.430 1.00 6.49 O +ANISOU 705 OH TYR A 84 826 949 691 -79 36 15 O +ATOM 706 N LYS A 85 16.925 -17.942 3.787 1.00 6.37 N +ANISOU 706 N LYS A 85 958 792 669 -161 93 18 N +ATOM 707 CA LYS A 85 17.646 -16.693 3.977 1.00 7.01 C +ANISOU 707 CA LYS A 85 981 877 805 -170 144 -31 C +ATOM 708 C LYS A 85 16.804 -15.506 3.502 1.00 7.82 C +ANISOU 708 C LYS A 85 1191 856 924 -100 114 -45 C +ATOM 709 O LYS A 85 16.649 -14.515 4.211 1.00 8.61 O +ANISOU 709 O LYS A 85 1376 878 1018 -11 37 -136 O +ATOM 710 CB LYS A 85 18.972 -16.726 3.222 1.00 7.40 C +ANISOU 710 CB LYS A 85 897 1008 906 -171 135 0 C +ATOM 711 CG LYS A 85 19.733 -15.406 3.279 1.00 8.99 C +ANISOU 711 CG LYS A 85 1137 1155 1125 -134 186 -31 C +ATOM 712 CD LYS A 85 21.169 -15.570 2.774 1.00 10.86 C +ANISOU 712 CD LYS A 85 1459 1291 1375 -282 268 -26 C +ATOM 713 CE LYS A 85 21.955 -14.276 2.877 1.00 13.50 C +ANISOU 713 CE LYS A 85 1785 1710 1634 -280 275 77 C +ATOM 714 NZ LYS A 85 21.504 -13.316 1.875 1.00 15.52 N +ANISOU 714 NZ LYS A 85 2144 1925 1830 -214 252 108 N +ATOM 715 N ASN A 86 16.271 -15.601 2.288 1.00 7.71 N +ANISOU 715 N ASN A 86 1218 782 930 -17 71 -48 N +ATOM 716 CA ASN A 86 15.589 -14.460 1.666 1.00 8.53 C +ANISOU 716 CA ASN A 86 1289 910 1042 -157 158 53 C +ATOM 717 C ASN A 86 14.207 -14.212 2.244 1.00 9.02 C +ANISOU 717 C ASN A 86 1310 926 1193 7 208 18 C +ATOM 718 O ASN A 86 13.787 -13.066 2.350 1.00 10.37 O +ANISOU 718 O ASN A 86 1444 988 1509 52 242 95 O +ATOM 719 CB ASN A 86 15.469 -14.667 0.149 1.00 10.06 C +ANISOU 719 CB ASN A 86 1404 1308 1111 -209 217 25 C +ATOM 720 CG ASN A 86 16.809 -14.666 -0.553 1.00 11.54 C +ANISOU 720 CG ASN A 86 1598 1583 1204 -255 328 77 C +ATOM 721 OD1 ASN A 86 17.781 -14.107 -0.059 1.00 13.19 O +ANISOU 721 OD1 ASN A 86 1670 2023 1318 -346 436 156 O +ATOM 722 ND2 ASN A 86 16.859 -15.279 -1.724 1.00 12.58 N +ANISOU 722 ND2 ASN A 86 1757 1769 1254 -96 388 57 N +ATOM 723 N VAL A 87 13.500 -15.278 2.602 1.00 7.76 N +ANISOU 723 N VAL A 87 1101 826 1020 -30 196 56 N +ATOM 724 CA VAL A 87 12.128 -15.167 3.063 1.00 7.97 C +ANISOU 724 CA VAL A 87 1133 946 950 7 128 72 C +ATOM 725 C VAL A 87 12.060 -15.024 4.584 1.00 8.23 C +ANISOU 725 C VAL A 87 1152 1040 937 65 80 27 C +ATOM 726 O VAL A 87 11.267 -14.232 5.074 1.00 9.78 O +ANISOU 726 O VAL A 87 1276 1406 1035 400 62 28 O +ATOM 727 CB VAL A 87 11.260 -16.337 2.543 1.00 7.88 C +ANISOU 727 CB VAL A 87 1058 1048 886 -60 -20 58 C +ATOM 728 CG1 VAL A 87 9.833 -16.218 3.068 1.00 8.62 C +ANISOU 728 CG1 VAL A 87 1137 1190 949 -98 -33 41 C +ATOM 729 CG2 VAL A 87 11.269 -16.347 1.023 1.00 8.48 C +ANISOU 729 CG2 VAL A 87 1208 1137 878 9 -146 131 C +ATOM 730 N HIS A 88 12.902 -15.747 5.316 1.00 7.87 N +ANISOU 730 N HIS A 88 1141 1003 847 57 86 9 N +ATOM 731 CA HIS A 88 12.807 -15.780 6.771 1.00 7.54 C +ANISOU 731 CA HIS A 88 1046 1088 731 -27 82 -129 C +ATOM 732 C HIS A 88 14.015 -15.225 7.499 1.00 7.81 C +ANISOU 732 C HIS A 88 1078 1135 755 -47 96 -257 C +ATOM 733 O HIS A 88 14.069 -15.259 8.724 1.00 8.34 O +ANISOU 733 O HIS A 88 1077 1358 731 -19 89 -301 O +ATOM 734 CB HIS A 88 12.525 -17.203 7.259 1.00 7.69 C +ANISOU 734 CB HIS A 88 1056 1214 651 -1 18 -216 C +ATOM 735 CG HIS A 88 11.261 -17.754 6.712 1.00 7.53 C +ANISOU 735 CG HIS A 88 1020 1213 627 -39 102 -104 C +ATOM 736 ND1 HIS A 88 10.035 -17.210 7.020 1.00 7.95 N +ANISOU 736 ND1 HIS A 88 1054 1267 700 24 201 3 N +ATOM 737 CD2 HIS A 88 11.030 -18.761 5.840 1.00 8.01 C +ANISOU 737 CD2 HIS A 88 1069 1310 663 -58 155 -38 C +ATOM 738 CE1 HIS A 88 9.096 -17.861 6.361 1.00 8.07 C +ANISOU 738 CE1 HIS A 88 924 1414 729 -59 181 -72 C +ATOM 739 NE2 HIS A 88 9.672 -18.802 5.631 1.00 7.96 N +ANISOU 739 NE2 HIS A 88 984 1338 703 -70 174 -85 N +ATOM 740 N ASN A 89 14.994 -14.717 6.757 1.00 7.79 N +ANISOU 740 N ASN A 89 1113 1017 830 -155 63 -266 N +ATOM 741 CA ASN A 89 16.229 -14.193 7.347 1.00 8.80 C +ANISOU 741 CA ASN A 89 1313 1057 972 -209 -15 -335 C +ATOM 742 C ASN A 89 16.903 -15.232 8.233 1.00 8.47 C +ANISOU 742 C ASN A 89 1156 1199 863 -265 -18 -270 C +ATOM 743 O ASN A 89 17.487 -14.897 9.267 1.00 9.42 O +ANISOU 743 O ASN A 89 1393 1212 973 -92 -190 -299 O +ATOM 744 CB ASN A 89 15.984 -12.888 8.128 1.00 11.47 C +ANISOU 744 CB ASN A 89 1691 1363 1303 -109 -163 -465 C +ATOM 745 CG ASN A 89 17.274 -12.139 8.418 1.00 14.77 C +ANISOU 745 CG ASN A 89 2153 1817 1644 -91 -102 -503 C +ATOM 746 OD1 ASN A 89 18.199 -12.146 7.609 1.00 15.98 O +ANISOU 746 OD1 ASN A 89 2279 1936 1857 -372 -123 -426 O +ATOM 747 ND2 ASN A 89 17.348 -11.510 9.576 1.00 15.67 N +ANISOU 747 ND2 ASN A 89 2280 1916 1760 -125 -184 -619 N +ATOM 748 N ARG A 90 16.871 -16.487 7.797 1.00 7.86 N +ANISOU 748 N ARG A 90 1062 1266 659 -216 -20 -272 N +ATOM 749 CA ARG A 90 17.523 -17.566 8.529 1.00 7.56 C +ANISOU 749 CA ARG A 90 990 1237 647 -161 112 -106 C +ATOM 750 C ARG A 90 18.699 -18.058 7.702 1.00 6.94 C +ANISOU 750 C ARG A 90 977 1095 567 -226 116 -127 C +ATOM 751 O ARG A 90 18.532 -18.394 6.524 1.00 7.06 O +ANISOU 751 O ARG A 90 1033 1142 508 -92 -24 -290 O +ATOM 752 CB ARG A 90 16.571 -18.740 8.765 1.00 7.44 C +ANISOU 752 CB ARG A 90 979 1161 688 -128 85 -31 C +ATOM 753 CG ARG A 90 17.195 -19.790 9.638 1.00 7.84 C +ANISOU 753 CG ARG A 90 1015 1203 760 -97 -53 -72 C +ATOM 754 CD ARG A 90 16.337 -21.043 9.829 1.00 7.37 C +ANISOU 754 CD ARG A 90 1018 1041 743 -168 -59 -113 C +ATOM 755 NE ARG A 90 16.950 -21.865 10.859 1.00 7.87 N +ANISOU 755 NE ARG A 90 1083 1170 738 -104 56 -63 N +ATOM 756 CZ ARG A 90 16.837 -21.630 12.159 1.00 7.87 C +ANISOU 756 CZ ARG A 90 982 1258 751 -101 148 -48 C +ATOM 757 NH1 ARG A 90 16.010 -20.692 12.595 1.00 8.73 N +ANISOU 757 NH1 ARG A 90 1002 1507 809 -84 138 80 N +ATOM 758 NH2 ARG A 90 17.556 -22.328 13.021 1.00 8.14 N +ANISOU 758 NH2 ARG A 90 883 1397 814 -71 139 -81 N +ATOM 759 N LEU A 91 19.874 -18.095 8.319 1.00 7.05 N +ANISOU 759 N LEU A 91 995 1108 574 -141 136 -141 N +ATOM 760 CA LEU A 91 21.114 -18.494 7.669 1.00 6.76 C +ANISOU 760 CA LEU A 91 946 1006 616 -174 96 -78 C +ATOM 761 C LEU A 91 21.384 -19.975 7.952 1.00 6.25 C +ANISOU 761 C LEU A 91 928 935 514 -150 25 -26 C +ATOM 762 O LEU A 91 21.864 -20.340 9.020 1.00 6.87 O +ANISOU 762 O LEU A 91 1031 1065 515 -33 -51 -166 O +ATOM 763 CB LEU A 91 22.246 -17.600 8.188 1.00 7.74 C +ANISOU 763 CB LEU A 91 1150 939 851 -226 168 -132 C +ATOM 764 CG LEU A 91 22.058 -16.106 7.939 1.00 9.45 C +ANISOU 764 CG LEU A 91 1424 1095 1070 -305 284 -45 C +ATOM 765 CD1 LEU A 91 23.201 -15.339 8.541 1.00 10.41 C +ANISOU 765 CD1 LEU A 91 1497 1257 1202 -356 269 -158 C +ATOM 766 CD2 LEU A 91 21.928 -15.826 6.437 1.00 10.79 C +ANISOU 766 CD2 LEU A 91 1808 1128 1165 -171 266 129 C +ATOM 767 N SER A 92 21.087 -20.807 6.956 1.00 6.11 N +ANISOU 767 N SER A 92 955 844 523 -191 -59 -74 N +ATOM 768 CA SER A 92 21.190 -22.251 7.046 1.00 6.29 C +ANISOU 768 CA SER A 92 929 938 524 -244 37 -108 C +ATOM 769 C SER A 92 20.295 -22.829 8.159 1.00 6.44 C +ANISOU 769 C SER A 92 906 926 615 -238 23 -164 C +ATOM 770 O SER A 92 19.444 -22.137 8.744 1.00 7.09 O +ANISOU 770 O SER A 92 944 1030 719 -116 142 -166 O +ATOM 771 CB SER A 92 22.646 -22.693 7.181 1.00 6.60 C +ANISOU 771 CB SER A 92 979 1007 522 -222 55 -92 C +ATOM 772 OG SER A 92 22.722 -24.083 6.944 1.00 6.78 O +ANISOU 772 OG SER A 92 949 1066 560 -44 31 -167 O +ATOM 773 N TYR A 93 20.419 -24.121 8.408 1.00 6.33 N +ANISOU 773 N TYR A 93 931 853 623 -156 28 -52 N +ATOM 774 CA TYR A 93 19.477 -24.782 9.288 1.00 6.70 C +ANISOU 774 CA TYR A 93 877 973 696 -233 86 -30 C +ATOM 775 C TYR A 93 19.656 -24.406 10.739 1.00 6.94 C +ANISOU 775 C TYR A 93 965 989 683 -214 126 -51 C +ATOM 776 O TYR A 93 18.689 -24.471 11.490 1.00 8.27 O +ANISOU 776 O TYR A 93 1074 1309 758 -213 255 -36 O +ATOM 777 CB TYR A 93 19.503 -26.301 9.111 1.00 7.99 C +ANISOU 777 CB TYR A 93 984 1133 918 -284 25 -128 C +ATOM 778 CG TYR A 93 20.858 -26.959 9.246 1.00 9.15 C +ANISOU 778 CG TYR A 93 1229 1116 1130 -107 56 -69 C +ATOM 779 CD1 TYR A 93 21.332 -27.384 10.462 1.00 10.05 C +ANISOU 779 CD1 TYR A 93 1345 1215 1256 6 -94 -117 C +ATOM 780 CD2 TYR A 93 21.655 -27.178 8.133 1.00 9.43 C +ANISOU 780 CD2 TYR A 93 1268 1130 1186 -63 97 67 C +ATOM 781 CE1 TYR A 93 22.575 -28.020 10.554 1.00 10.27 C +ANISOU 781 CE1 TYR A 93 1290 1340 1274 -34 -90 -87 C +ATOM 782 CE2 TYR A 93 22.852 -27.800 8.219 1.00 10.56 C +ANISOU 782 CE2 TYR A 93 1355 1374 1282 -47 26 65 C +ATOM 783 CZ TYR A 93 23.313 -28.210 9.415 1.00 10.26 C +ANISOU 783 CZ TYR A 93 1200 1421 1278 -175 -30 7 C +ATOM 784 OH TYR A 93 24.536 -28.847 9.446 1.00 12.07 O +ANISOU 784 OH TYR A 93 1291 1901 1393 67 103 -21 O +ATOM 785 N ASP A 94 20.873 -24.034 11.138 1.00 7.20 N +ANISOU 785 N ASP A 94 1039 1039 657 -188 160 -122 N +ATOM 786 CA ASP A 94 21.148 -23.679 12.522 1.00 8.39 C +ANISOU 786 CA ASP A 94 1237 1320 631 -196 143 9 C +ATOM 787 C ASP A 94 21.055 -22.173 12.777 1.00 8.60 C +ANISOU 787 C ASP A 94 1293 1336 638 -192 163 -100 C +ATOM 788 O ASP A 94 21.223 -21.735 13.915 1.00 10.17 O +ANISOU 788 O ASP A 94 1567 1624 675 -15 99 -277 O +ATOM 789 CB ASP A 94 22.517 -24.188 12.980 1.00 9.12 C +ANISOU 789 CB ASP A 94 1369 1432 665 4 48 7 C +ATOM 790 CG ASP A 94 23.669 -23.470 12.321 1.00 9.18 C +ANISOU 790 CG ASP A 94 1205 1558 725 -42 -7 -84 C +ATOM 791 OD1 ASP A 94 23.483 -22.876 11.239 1.00 8.30 O +ANISOU 791 OD1 ASP A 94 1038 1356 761 -149 61 -32 O +ATOM 792 OD2 ASP A 94 24.783 -23.555 12.873 1.00 10.92 O +ANISOU 792 OD2 ASP A 94 1354 1944 851 7 -27 -102 O +ATOM 793 N GLY A 95 20.810 -21.378 11.737 1.00 7.74 N +ANISOU 793 N GLY A 95 1169 1107 666 -169 109 -214 N +ATOM 794 CA GLY A 95 20.756 -19.937 11.877 1.00 8.44 C +ANISOU 794 CA GLY A 95 1284 1212 709 -48 72 -273 C +ATOM 795 C GLY A 95 22.116 -19.265 11.921 1.00 8.15 C +ANISOU 795 C GLY A 95 1148 1247 704 -39 -21 -356 C +ATOM 796 O GLY A 95 22.195 -18.044 12.068 1.00 8.63 O +ANISOU 796 O GLY A 95 1192 1276 812 -77 -65 -371 O +ATOM 797 N ASN A 96 23.186 -20.050 11.795 1.00 7.87 N +ANISOU 797 N ASN A 96 1041 1318 632 -77 1 -264 N +ATOM 798 CA ASN A 96 24.553 -19.537 11.833 1.00 8.93 C +ANISOU 798 CA ASN A 96 1066 1650 676 -169 -32 -381 C +ATOM 799 C ASN A 96 25.385 -20.092 10.676 1.00 8.08 C +ANISOU 799 C ASN A 96 1019 1447 603 -180 -61 -339 C +ATOM 800 O ASN A 96 26.595 -20.248 10.772 1.00 8.75 O +ANISOU 800 O ASN A 96 973 1672 678 -116 -101 -446 O +ATOM 801 CB ASN A 96 25.229 -19.836 13.178 1.00 12.46 C +ANISOU 801 CB ASN A 96 1411 2329 995 -156 -80 -536 C +ATOM 802 CG ASN A 96 26.494 -19.012 13.392 1.00 16.90 C +ANISOU 802 CG ASN A 96 1857 3193 1372 84 -161 -647 C +ATOM 803 OD1 ASN A 96 26.570 -17.842 12.988 1.00 18.43 O +ANISOU 803 OD1 ASN A 96 2061 3344 1598 -115 -89 -733 O +ATOM 804 ND2 ASN A 96 27.500 -19.629 13.986 1.00 19.26 N +ANISOU 804 ND2 ASN A 96 2129 3737 1453 216 -311 -764 N +ATOM 805 N ASN A 97 24.716 -20.351 9.557 1.00 7.27 N +ANISOU 805 N ASN A 97 1037 1252 476 -185 20 -238 N +ATOM 806 CA ASN A 97 25.386 -20.748 8.329 1.00 7.21 C +ANISOU 806 CA ASN A 97 1100 1120 519 -241 37 -234 C +ATOM 807 C ASN A 97 26.148 -22.071 8.445 1.00 7.73 C +ANISOU 807 C ASN A 97 1136 1165 634 -314 101 -224 C +ATOM 808 O ASN A 97 27.160 -22.250 7.798 1.00 8.83 O +ANISOU 808 O ASN A 97 1284 1291 781 -115 268 -137 O +ATOM 809 CB ASN A 97 26.289 -19.620 7.801 1.00 7.42 C +ANISOU 809 CB ASN A 97 1211 977 631 -245 62 -155 C +ATOM 810 CG ASN A 97 25.563 -18.654 6.876 1.00 7.37 C +ANISOU 810 CG ASN A 97 1244 882 675 -238 174 -140 C +ATOM 811 OD1 ASN A 97 25.929 -17.458 6.741 1.00 9.81 O +ANISOU 811 OD1 ASN A 97 1623 1189 916 -202 234 -37 O +ATOM 812 ND2 ASN A 97 24.566 -19.150 6.217 1.00 6.05 N +ANISOU 812 ND2 ASN A 97 1008 785 507 -82 121 -92 N +ATOM 813 N ALA A 98 25.620 -23.029 9.203 1.00 7.69 N +ANISOU 813 N ALA A 98 1098 1247 578 -198 129 -143 N +ATOM 814 CA ALA A 98 26.192 -24.379 9.190 1.00 7.58 C +ANISOU 814 CA ALA A 98 1060 1237 584 -190 49 -207 C +ATOM 815 C ALA A 98 26.319 -24.898 7.761 1.00 7.00 C +ANISOU 815 C ALA A 98 927 1157 574 -266 5 -264 C +ATOM 816 O ALA A 98 25.421 -24.722 6.926 1.00 7.35 O +ANISOU 816 O ALA A 98 974 1199 618 -193 -27 -203 O +ATOM 817 CB ALA A 98 25.345 -25.333 9.999 1.00 8.22 C +ANISOU 817 CB ALA A 98 1173 1275 676 2 -18 -177 C +ATOM 818 N ALA A 99 27.421 -25.583 7.486 1.00 7.54 N +ANISOU 818 N ALA A 99 925 1322 619 -135 -82 -270 N +ATOM 819 CA ALA A 99 27.603 -26.291 6.232 1.00 7.45 C +ANISOU 819 CA ALA A 99 971 1277 582 -93 -83 -271 C +ATOM 820 C ALA A 99 26.462 -27.282 6.042 1.00 6.63 C +ANISOU 820 C ALA A 99 988 1070 462 -133 -40 -121 C +ATOM 821 O ALA A 99 26.068 -27.983 6.967 1.00 7.52 O +ANISOU 821 O ALA A 99 1146 1198 512 -203 -101 0 O +ATOM 822 CB ALA A 99 28.920 -27.027 6.219 1.00 8.86 C +ANISOU 822 CB ALA A 99 1018 1594 752 -98 -58 -275 C +ATOM 823 N ILE A 100 25.946 -27.350 4.828 1.00 5.99 N +ANISOU 823 N ILE A 100 923 973 378 -118 -28 -73 N +ATOM 824 CA ILE A 100 24.850 -28.249 4.481 1.00 5.66 C +ANISOU 824 CA ILE A 100 914 893 343 -67 9 -35 C +ATOM 825 C ILE A 100 25.415 -29.399 3.681 1.00 5.37 C +ANISOU 825 C ILE A 100 928 809 303 -173 107 46 C +ATOM 826 O ILE A 100 26.005 -29.181 2.625 1.00 6.86 O +ANISOU 826 O ILE A 100 1115 1016 477 -56 281 193 O +ATOM 827 CB ILE A 100 23.797 -27.507 3.651 1.00 6.05 C +ANISOU 827 CB ILE A 100 895 1007 395 -104 58 -26 C +ATOM 828 CG1 ILE A 100 23.144 -26.408 4.489 1.00 6.81 C +ANISOU 828 CG1 ILE A 100 1093 1003 490 -21 95 35 C +ATOM 829 CG2 ILE A 100 22.752 -28.478 3.145 1.00 7.31 C +ANISOU 829 CG2 ILE A 100 1056 1230 491 -35 -9 -77 C +ATOM 830 CD1 ILE A 100 22.318 -25.456 3.697 1.00 7.88 C +ANISOU 830 CD1 ILE A 100 1245 1154 595 -18 103 36 C +ATOM 831 N ARG A 101 25.252 -30.611 4.194 1.00 5.50 N +ANISOU 831 N ARG A 101 925 888 278 -93 36 -19 N +ATOM 832 CA ARG A 101 25.814 -31.805 3.581 1.00 5.50 C +ANISOU 832 CA ARG A 101 785 978 327 -82 -33 47 C +ATOM 833 C ARG A 101 24.706 -32.771 3.166 1.00 5.18 C +ANISOU 833 C ARG A 101 799 861 309 -116 19 81 C +ATOM 834 O ARG A 101 23.764 -33.014 3.929 1.00 5.88 O +ANISOU 834 O ARG A 101 904 964 368 -146 62 103 O +ATOM 835 CB ARG A 101 26.784 -32.504 4.545 1.00 6.81 C +ANISOU 835 CB ARG A 101 858 1286 442 -48 -173 96 C +ATOM 836 CG ARG A 101 27.895 -31.582 5.004 1.00 8.88 C +ANISOU 836 CG ARG A 101 1083 1699 593 -298 -259 120 C +ATOM 837 CD ARG A 101 28.998 -32.236 5.832 1.00 11.48 C +ANISOU 837 CD ARG A 101 1373 2135 853 -261 -381 55 C +ATOM 838 NE ARG A 101 29.797 -31.194 6.518 1.00 13.39 N +ANISOU 838 NE ARG A 101 1578 2414 1094 -338 -358 20 N +ATOM 839 CZ ARG A 101 30.799 -30.485 5.991 1.00 13.84 C +ANISOU 839 CZ ARG A 101 1541 2466 1251 -277 -529 -97 C +ATOM 840 NH1 ARG A 101 31.249 -30.712 4.767 1.00 14.16 N +ANISOU 840 NH1 ARG A 101 1623 2436 1323 -70 -448 155 N +ATOM 841 NH2 ARG A 101 31.385 -29.548 6.726 1.00 14.31 N +ANISOU 841 NH2 ARG A 101 1506 2597 1336 -236 -535 -240 N +ATOM 842 N SER A 102 24.845 -33.328 1.971 1.00 5.17 N +ANISOU 842 N SER A 102 871 806 287 -119 -16 5 N +ATOM 843 CA SER A 102 23.928 -34.338 1.439 1.00 5.24 C +ANISOU 843 CA SER A 102 762 879 349 -10 -24 7 C +ATOM 844 C SER A 102 24.691 -35.478 0.831 1.00 5.21 C +ANISOU 844 C SER A 102 784 875 320 -33 26 74 C +ATOM 845 O SER A 102 25.694 -35.231 0.173 1.00 5.68 O +ANISOU 845 O SER A 102 804 931 424 -102 187 96 O +ATOM 846 CB SER A 102 23.072 -33.774 0.304 1.00 5.76 C +ANISOU 846 CB SER A 102 750 1002 438 27 20 63 C +ATOM 847 OG SER A 102 22.412 -32.582 0.661 1.00 7.16 O +ANISOU 847 OG SER A 102 902 1256 563 200 -144 99 O +ATOM 848 N SER A 103 24.188 -36.705 0.979 1.00 4.63 N +ANISOU 848 N SER A 103 697 821 241 -96 -24 83 N +ATOM 849 CA SER A 103 24.727 -37.848 0.263 1.00 4.72 C +ANISOU 849 CA SER A 103 766 800 229 -11 16 93 C +ATOM 850 C SER A 103 23.647 -38.440 -0.628 1.00 4.79 C +ANISOU 850 C SER A 103 694 886 242 -44 43 54 C +ATOM 851 O SER A 103 22.497 -38.594 -0.198 1.00 5.47 O +ANISOU 851 O SER A 103 687 1094 298 -75 8 1 O +ATOM 852 CB SER A 103 25.217 -38.919 1.232 1.00 5.24 C +ANISOU 852 CB SER A 103 765 947 281 1 25 140 C +ATOM 853 OG SER A 103 26.234 -38.392 2.069 1.00 5.54 O +ANISOU 853 OG SER A 103 757 1039 310 34 -104 105 O +ATOM 854 N VAL A 104 24.032 -38.795 -1.857 1.00 5.09 N +ANISOU 854 N VAL A 104 837 857 239 -69 16 21 N +ATOM 855 CA VAL A 104 23.135 -39.455 -2.791 1.00 4.79 C +ANISOU 855 CA VAL A 104 790 791 241 -118 4 51 C +ATOM 856 C VAL A 104 23.665 -40.845 -3.108 1.00 4.77 C +ANISOU 856 C VAL A 104 763 800 249 -104 -50 86 C +ATOM 857 O VAL A 104 24.767 -41.225 -2.684 1.00 5.32 O +ANISOU 857 O VAL A 104 785 939 299 -43 -90 127 O +ATOM 858 CB VAL A 104 22.950 -38.611 -4.073 1.00 5.40 C +ANISOU 858 CB VAL A 104 934 855 262 -36 -53 83 C +ATOM 859 CG1 VAL A 104 22.357 -37.245 -3.743 1.00 6.25 C +ANISOU 859 CG1 VAL A 104 1016 1047 312 -20 -95 111 C +ATOM 860 CG2 VAL A 104 24.261 -38.466 -4.849 1.00 5.96 C +ANISOU 860 CG2 VAL A 104 1031 946 289 24 -27 119 C +ATOM 861 N HIS A 105 22.887 -41.602 -3.856 1.00 5.16 N +ANISOU 861 N HIS A 105 857 858 246 -38 -85 -22 N +ATOM 862 CA HIS A 105 23.181 -43.006 -4.105 1.00 5.35 C +ANISOU 862 CA HIS A 105 838 834 361 -127 5 2 C +ATOM 863 C HIS A 105 23.342 -43.789 -2.808 1.00 5.24 C +ANISOU 863 C HIS A 105 836 794 363 -153 34 93 C +ATOM 864 O HIS A 105 24.194 -44.666 -2.693 1.00 6.02 O +ANISOU 864 O HIS A 105 972 849 466 -42 107 104 O +ATOM 865 CB HIS A 105 24.402 -43.188 -5.005 1.00 6.11 C +ANISOU 865 CB HIS A 105 1021 877 422 -105 59 -14 C +ATOM 866 CG HIS A 105 24.221 -42.627 -6.381 1.00 6.75 C +ANISOU 866 CG HIS A 105 1161 994 410 -133 40 -94 C +ATOM 867 ND1 HIS A 105 23.224 -43.052 -7.235 1.00 7.44 N +ANISOU 867 ND1 HIS A 105 1201 1215 409 -219 111 70 N +ATOM 868 CD2 HIS A 105 24.944 -41.723 -7.076 1.00 7.42 C +ANISOU 868 CD2 HIS A 105 1315 1104 402 -215 107 -120 C +ATOM 869 CE1 HIS A 105 23.320 -42.408 -8.380 1.00 8.30 C +ANISOU 869 CE1 HIS A 105 1367 1308 479 -96 48 -8 C +ATOM 870 NE2 HIS A 105 24.357 -41.599 -8.309 1.00 8.13 N +ANISOU 870 NE2 HIS A 105 1507 1117 463 -65 146 -46 N +ATOM 871 N TYR A 106 22.492 -43.490 -1.834 1.00 5.15 N +ANISOU 871 N TYR A 106 818 866 270 14 49 140 N +ATOM 872 CA TYR A 106 22.492 -44.227 -0.573 1.00 5.17 C +ANISOU 872 CA TYR A 106 834 835 297 -75 6 106 C +ATOM 873 C TYR A 106 21.823 -45.589 -0.738 1.00 5.26 C +ANISOU 873 C TYR A 106 822 859 317 21 -54 46 C +ATOM 874 O TYR A 106 20.668 -45.674 -1.152 1.00 5.64 O +ANISOU 874 O TYR A 106 875 942 328 -5 -38 44 O +ATOM 875 CB TYR A 106 21.764 -43.425 0.484 1.00 5.30 C +ANISOU 875 CB TYR A 106 870 755 391 -58 -20 -7 C +ATOM 876 CG TYR A 106 21.662 -44.100 1.826 1.00 5.16 C +ANISOU 876 CG TYR A 106 817 789 356 -99 1 50 C +ATOM 877 CD1 TYR A 106 22.714 -44.085 2.716 1.00 5.73 C +ANISOU 877 CD1 TYR A 106 874 893 411 -145 -12 98 C +ATOM 878 CD2 TYR A 106 20.503 -44.744 2.223 1.00 5.36 C +ANISOU 878 CD2 TYR A 106 802 899 335 -15 -77 79 C +ATOM 879 CE1 TYR A 106 22.613 -44.679 3.957 1.00 5.98 C +ANISOU 879 CE1 TYR A 106 855 977 440 -29 -97 70 C +ATOM 880 CE2 TYR A 106 20.394 -45.338 3.470 1.00 5.46 C +ANISOU 880 CE2 TYR A 106 763 959 354 -158 -21 121 C +ATOM 881 CZ TYR A 106 21.433 -45.289 4.333 1.00 5.92 C +ANISOU 881 CZ TYR A 106 869 962 419 -46 19 111 C +ATOM 882 OH TYR A 106 21.296 -45.897 5.556 1.00 6.60 O +ANISOU 882 OH TYR A 106 989 1037 483 -52 67 77 O +ATOM 883 N SER A 107 22.557 -46.644 -0.389 1.00 5.03 N +ANISOU 883 N SER A 107 753 757 400 -95 -31 63 N +ATOM 884 CA SER A 107 22.064 -48.020 -0.413 1.00 5.21 C +ANISOU 884 CA SER A 107 823 818 337 -68 40 60 C +ATOM 885 C SER A 107 21.647 -48.431 -1.827 1.00 5.63 C +ANISOU 885 C SER A 107 919 851 367 -40 -24 46 C +ATOM 886 O SER A 107 22.076 -47.818 -2.795 1.00 6.55 O +ANISOU 886 O SER A 107 1030 1005 452 -68 30 -23 O +ATOM 887 CB SER A 107 20.934 -48.189 0.616 1.00 6.06 C +ANISOU 887 CB SER A 107 961 970 371 -205 -34 98 C +ATOM 888 OG SER A 107 20.690 -49.566 0.864 1.00 6.56 O +ANISOU 888 OG SER A 107 1115 969 409 -280 77 123 O +ATOM 889 N GLN A 108 20.830 -49.475 -1.921 1.00 6.10 N +ANISOU 889 N GLN A 108 1044 825 449 -65 -75 -38 N +ATOM 890 CA GLN A 108 20.353 -50.018 -3.201 1.00 6.98 C +ANISOU 890 CA GLN A 108 1196 843 613 -24 -150 -51 C +ATOM 891 C GLN A 108 18.848 -50.094 -3.170 1.00 8.13 C +ANISOU 891 C GLN A 108 1245 1066 779 101 -248 -144 C +ATOM 892 O GLN A 108 18.274 -50.596 -2.214 1.00 8.98 O +ANISOU 892 O GLN A 108 1157 1302 954 -120 -121 -63 O +ATOM 893 CB GLN A 108 20.908 -51.426 -3.466 1.00 7.52 C +ANISOU 893 CB GLN A 108 1196 988 672 -55 -114 -36 C +ATOM 894 CG GLN A 108 22.424 -51.499 -3.557 1.00 8.20 C +ANISOU 894 CG GLN A 108 1221 1154 741 -116 -69 -20 C +ATOM 895 CD GLN A 108 22.929 -52.842 -4.049 1.00 9.50 C +ANISOU 895 CD GLN A 108 1397 1273 940 -94 -81 -120 C +ATOM 896 OE1 GLN A 108 22.219 -53.570 -4.733 1.00 10.97 O +ANISOU 896 OE1 GLN A 108 1536 1484 1148 32 -258 -386 O +ATOM 897 NE2 GLN A 108 24.162 -53.178 -3.703 1.00 9.17 N +ANISOU 897 NE2 GLN A 108 1346 1163 975 -87 -49 -142 N +ATOM 898 N GLY A 109 18.207 -49.583 -4.211 1.00 9.19 N +ANISOU 898 N GLY A 109 1334 1313 843 337 -354 -358 N +ATOM 899 CA GLY A 109 16.760 -49.648 -4.319 1.00 10.05 C +ANISOU 899 CA GLY A 109 1366 1441 1011 340 -445 -443 C +ATOM 900 C GLY A 109 16.048 -48.929 -3.185 1.00 8.81 C +ANISOU 900 C GLY A 109 1133 1179 1038 81 -316 -330 C +ATOM 901 O GLY A 109 14.957 -49.323 -2.767 1.00 10.06 O +ANISOU 901 O GLY A 109 1164 1289 1369 20 -345 -419 O +ATOM 902 N TYR A 110 16.653 -47.859 -2.667 1.00 7.56 N +ANISOU 902 N TYR A 110 1079 1058 735 39 -152 -191 N +ATOM 903 CA TYR A 110 16.239 -47.301 -1.378 1.00 6.38 C +ANISOU 903 CA TYR A 110 902 986 536 -105 -110 -28 C +ATOM 904 C TYR A 110 15.140 -46.257 -1.564 1.00 6.48 C +ANISOU 904 C TYR A 110 899 1017 545 -60 -96 -38 C +ATOM 905 O TYR A 110 15.390 -45.166 -2.093 1.00 6.33 O +ANISOU 905 O TYR A 110 898 986 522 -96 -150 62 O +ATOM 906 CB TYR A 110 17.454 -46.737 -0.666 1.00 6.24 C +ANISOU 906 CB TYR A 110 837 1029 505 -38 -102 -25 C +ATOM 907 CG TYR A 110 17.213 -46.441 0.789 1.00 6.04 C +ANISOU 907 CG TYR A 110 844 959 491 -141 -178 -86 C +ATOM 908 CD1 TYR A 110 17.341 -47.451 1.723 1.00 7.22 C +ANISOU 908 CD1 TYR A 110 1239 949 553 2 -118 0 C +ATOM 909 CD2 TYR A 110 16.871 -45.163 1.238 1.00 6.24 C +ANISOU 909 CD2 TYR A 110 809 1078 484 -108 -119 -120 C +ATOM 910 CE1 TYR A 110 17.139 -47.222 3.059 1.00 7.56 C +ANISOU 910 CE1 TYR A 110 1308 1019 544 -26 -68 84 C +ATOM 911 CE2 TYR A 110 16.648 -44.923 2.587 1.00 6.85 C +ANISOU 911 CE2 TYR A 110 914 1173 515 -93 -166 -103 C +ATOM 912 CZ TYR A 110 16.796 -45.957 3.495 1.00 7.62 C +ANISOU 912 CZ TYR A 110 1155 1181 560 -43 -93 -113 C +ATOM 913 OH TYR A 110 16.590 -45.707 4.839 1.00 8.39 O +ANISOU 913 OH TYR A 110 1160 1415 613 -37 -152 -176 O +ATOM 914 N ASN A 111 13.928 -46.615 -1.147 1.00 6.06 N +ANISOU 914 N ASN A 111 812 953 535 -73 -167 -62 N +ATOM 915 CA ASN A 111 12.736 -45.818 -1.392 1.00 6.27 C +ANISOU 915 CA ASN A 111 795 1048 539 -66 -212 -114 C +ATOM 916 C ASN A 111 12.500 -44.789 -0.287 1.00 6.22 C +ANISOU 916 C ASN A 111 781 1053 528 -66 -101 -92 C +ATOM 917 O ASN A 111 11.409 -44.707 0.297 1.00 6.94 O +ANISOU 917 O ASN A 111 855 1112 670 -216 19 -155 O +ATOM 918 CB ASN A 111 11.525 -46.741 -1.526 1.00 6.98 C +ANISOU 918 CB ASN A 111 843 1124 683 -154 -251 -125 C +ATOM 919 CG ASN A 111 11.522 -47.495 -2.822 1.00 7.72 C +ANISOU 919 CG ASN A 111 1039 1064 832 -258 -220 -111 C +ATOM 920 OD1 ASN A 111 11.866 -46.956 -3.870 1.00 8.18 O +ANISOU 920 OD1 ASN A 111 1111 1156 839 -157 -225 -105 O +ATOM 921 ND2 ASN A 111 11.109 -48.751 -2.768 1.00 9.44 N +ANISOU 921 ND2 ASN A 111 1539 1112 936 -268 -203 -269 N +ATOM 922 N ASN A 112 13.508 -43.973 0.016 1.00 5.86 N +ANISOU 922 N ASN A 112 788 1021 416 -109 -51 -156 N +ATOM 923 CA ASN A 112 13.327 -42.961 1.035 1.00 5.55 C +ANISOU 923 CA ASN A 112 773 923 412 -85 -68 -76 C +ATOM 924 C ASN A 112 14.474 -41.969 1.007 1.00 5.66 C +ANISOU 924 C ASN A 112 738 986 427 20 -21 36 C +ATOM 925 O ASN A 112 15.453 -42.123 0.265 1.00 5.75 O +ANISOU 925 O ASN A 112 802 949 432 0 -100 -8 O +ATOM 926 CB ASN A 112 13.194 -43.604 2.433 1.00 5.97 C +ANISOU 926 CB ASN A 112 893 929 445 -142 -40 -48 C +ATOM 927 CG ASN A 112 12.139 -42.932 3.293 1.00 6.27 C +ANISOU 927 CG ASN A 112 912 984 487 -193 -61 -21 C +ATOM 928 OD1 ASN A 112 11.805 -41.764 3.109 1.00 6.33 O +ANISOU 928 OD1 ASN A 112 802 1059 544 -59 -36 -116 O +ATOM 929 ND2 ASN A 112 11.592 -43.681 4.238 1.00 7.76 N +ANISOU 929 ND2 ASN A 112 1232 1099 618 100 83 118 N +ATOM 930 N ALA A 113 14.300 -40.932 1.815 1.00 5.27 N +ANISOU 930 N ALA A 113 555 1022 427 -94 -20 -57 N +ATOM 931 CA ALA A 113 15.294 -39.907 2.076 1.00 5.52 C +ANISOU 931 CA ALA A 113 666 1030 399 -36 -7 -14 C +ATOM 932 C ALA A 113 15.121 -39.503 3.523 1.00 4.84 C +ANISOU 932 C ALA A 113 620 878 342 -28 -66 -64 C +ATOM 933 O ALA A 113 14.029 -39.668 4.080 1.00 5.42 O +ANISOU 933 O ALA A 113 631 1097 332 -68 -66 -51 O +ATOM 934 CB ALA A 113 15.095 -38.716 1.151 1.00 6.12 C +ANISOU 934 CB ALA A 113 796 1123 408 -17 -1 -115 C +ATOM 935 N PHE A 114 16.168 -38.973 4.151 1.00 4.97 N +ANISOU 935 N PHE A 114 672 952 266 -81 -70 -31 N +ATOM 936 CA PHE A 114 16.088 -38.620 5.560 1.00 4.85 C +ANISOU 936 CA PHE A 114 665 901 276 -39 -124 -48 C +ATOM 937 C PHE A 114 17.178 -37.656 5.960 1.00 5.02 C +ANISOU 937 C PHE A 114 675 976 255 -55 6 -6 C +ATOM 938 O PHE A 114 18.169 -37.492 5.248 1.00 5.95 O +ANISOU 938 O PHE A 114 777 1160 325 -114 94 -18 O +ATOM 939 CB PHE A 114 16.079 -39.864 6.465 1.00 5.67 C +ANISOU 939 CB PHE A 114 764 1020 371 4 -110 -27 C +ATOM 940 CG PHE A 114 17.290 -40.773 6.337 1.00 5.90 C +ANISOU 940 CG PHE A 114 776 1071 393 -133 -150 52 C +ATOM 941 CD1 PHE A 114 17.367 -41.715 5.320 1.00 6.31 C +ANISOU 941 CD1 PHE A 114 904 1019 474 -90 -160 14 C +ATOM 942 CD2 PHE A 114 18.310 -40.736 7.274 1.00 6.84 C +ANISOU 942 CD2 PHE A 114 952 1122 527 18 -259 61 C +ATOM 943 CE1 PHE A 114 18.452 -42.584 5.229 1.00 6.45 C +ANISOU 943 CE1 PHE A 114 969 991 491 -60 -96 16 C +ATOM 944 CE2 PHE A 114 19.398 -41.613 7.179 1.00 6.87 C +ANISOU 944 CE2 PHE A 114 894 1173 544 -140 -252 9 C +ATOM 945 CZ PHE A 114 19.455 -42.526 6.155 1.00 6.80 C +ANISOU 945 CZ PHE A 114 917 1119 548 -51 -127 75 C +ATOM 946 N TRP A 115 16.972 -37.042 7.118 1.00 4.86 N +ANISOU 946 N TRP A 115 639 934 272 -177 34 -33 N +ATOM 947 CA TRP A 115 17.989 -36.295 7.830 1.00 5.23 C +ANISOU 947 CA TRP A 115 702 980 304 -169 -36 5 C +ATOM 948 C TRP A 115 18.486 -37.192 8.953 1.00 5.74 C +ANISOU 948 C TRP A 115 731 1121 330 -170 -28 109 C +ATOM 949 O TRP A 115 17.681 -37.665 9.751 1.00 6.19 O +ANISOU 949 O TRP A 115 731 1255 366 -109 -66 153 O +ATOM 950 CB TRP A 115 17.385 -35.002 8.367 1.00 6.09 C +ANISOU 950 CB TRP A 115 904 1086 322 -10 -63 -8 C +ATOM 951 CG TRP A 115 18.293 -34.242 9.276 1.00 5.93 C +ANISOU 951 CG TRP A 115 972 982 300 -85 -127 -18 C +ATOM 952 CD1 TRP A 115 18.291 -34.264 10.633 1.00 6.79 C +ANISOU 952 CD1 TRP A 115 1221 1007 351 -149 -104 -41 C +ATOM 953 CD2 TRP A 115 19.369 -33.359 8.894 1.00 6.00 C +ANISOU 953 CD2 TRP A 115 1001 945 333 -63 -191 39 C +ATOM 954 NE1 TRP A 115 19.286 -33.433 11.119 1.00 7.35 N +ANISOU 954 NE1 TRP A 115 1300 1095 396 -125 -189 -30 N +ATOM 955 CE2 TRP A 115 19.955 -32.865 10.070 1.00 6.14 C +ANISOU 955 CE2 TRP A 115 1096 865 370 -137 -177 75 C +ATOM 956 CE3 TRP A 115 19.853 -32.906 7.667 1.00 6.70 C +ANISOU 956 CE3 TRP A 115 942 1182 422 -79 -12 94 C +ATOM 957 CZ2 TRP A 115 21.032 -31.962 10.053 1.00 6.54 C +ANISOU 957 CZ2 TRP A 115 1055 999 431 -3 -301 -17 C +ATOM 958 CZ3 TRP A 115 20.893 -31.988 7.650 1.00 7.22 C +ANISOU 958 CZ3 TRP A 115 1043 1162 539 77 20 147 C +ATOM 959 CH2 TRP A 115 21.472 -31.543 8.829 1.00 6.87 C +ANISOU 959 CH2 TRP A 115 969 1110 532 -58 -132 87 C +ATOM 960 N ASN A 116 19.792 -37.468 9.017 1.00 5.49 N +ANISOU 960 N ASN A 116 724 1027 336 -247 -59 146 N +ATOM 961 CA ASN A 116 20.298 -38.459 9.968 1.00 5.90 C +ANISOU 961 CA ASN A 116 856 1027 360 -80 -95 211 C +ATOM 962 C ASN A 116 20.781 -37.865 11.293 1.00 6.07 C +ANISOU 962 C ASN A 116 819 1120 367 -29 -10 227 C +ATOM 963 O ASN A 116 21.441 -38.567 12.069 1.00 6.43 O +ANISOU 963 O ASN A 116 855 1166 422 30 -52 279 O +ATOM 964 CB ASN A 116 21.401 -39.318 9.346 1.00 5.84 C +ANISOU 964 CB ASN A 116 866 979 373 -126 -126 210 C +ATOM 965 CG ASN A 116 22.726 -38.631 9.346 1.00 5.36 C +ANISOU 965 CG ASN A 116 846 896 294 -186 -51 101 C +ATOM 966 OD1 ASN A 116 22.796 -37.403 9.439 1.00 5.10 O +ANISOU 966 OD1 ASN A 116 815 855 268 -154 -48 72 O +ATOM 967 ND2 ASN A 116 23.795 -39.402 9.240 1.00 6.01 N +ANISOU 967 ND2 ASN A 116 945 997 341 -177 -75 70 N +ATOM 968 N GLY A 117 20.433 -36.604 11.546 1.00 5.72 N +ANISOU 968 N GLY A 117 814 1059 299 7 -65 106 N +ATOM 969 CA GLY A 117 20.923 -35.858 12.701 1.00 5.94 C +ANISOU 969 CA GLY A 117 900 1074 282 15 -28 49 C +ATOM 970 C GLY A 117 22.032 -34.874 12.330 1.00 6.02 C +ANISOU 970 C GLY A 117 947 1053 288 33 -78 60 C +ATOM 971 O GLY A 117 22.314 -33.949 13.089 1.00 6.37 O +ANISOU 971 O GLY A 117 944 1152 324 16 -132 18 O +ATOM 972 N SER A 118 22.666 -35.096 11.173 1.00 5.80 N +ANISOU 972 N SER A 118 924 995 285 -21 -99 80 N +ATOM 973 CA SER A 118 23.833 -34.324 10.746 1.00 6.03 C +ANISOU 973 CA SER A 118 960 975 357 -19 -158 122 C +ATOM 974 C SER A 118 23.851 -33.940 9.270 1.00 5.60 C +ANISOU 974 C SER A 118 880 924 325 -88 -142 72 C +ATOM 975 O SER A 118 24.567 -33.026 8.894 1.00 5.96 O +ANISOU 975 O SER A 118 976 934 355 -214 -157 94 O +ATOM 976 CB SER A 118 25.105 -35.136 11.030 1.00 6.67 C +ANISOU 976 CB SER A 118 970 1105 459 -80 -248 209 C +ATOM 977 OG SER A 118 25.146 -35.523 12.396 1.00 7.68 O +ANISOU 977 OG SER A 118 1191 1197 531 99 -268 281 O +ATOM 978 N GLN A 119 23.088 -34.650 8.449 1.00 5.21 N +ANISOU 978 N GLN A 119 780 906 293 -96 -1 156 N +ATOM 979 CA GLN A 119 23.150 -34.470 7.000 1.00 4.92 C +ANISOU 979 CA GLN A 119 716 867 286 -101 -53 152 C +ATOM 980 C GLN A 119 21.903 -35.039 6.366 1.00 5.08 C +ANISOU 980 C GLN A 119 770 886 274 -53 -63 129 C +ATOM 981 O GLN A 119 21.182 -35.849 6.971 1.00 5.20 O +ANISOU 981 O GLN A 119 783 904 290 -83 -38 153 O +ATOM 982 CB GLN A 119 24.376 -35.166 6.404 1.00 5.25 C +ANISOU 982 CB GLN A 119 722 962 308 -162 -98 117 C +ATOM 983 CG GLN A 119 24.336 -36.690 6.568 1.00 5.45 C +ANISOU 983 CG GLN A 119 811 968 292 -34 -19 151 C +ATOM 984 CD GLN A 119 25.303 -37.373 5.638 1.00 5.37 C +ANISOU 984 CD GLN A 119 794 978 267 -31 -16 50 C +ATOM 985 OE1 GLN A 119 26.347 -37.879 6.038 1.00 6.49 O +ANISOU 985 OE1 GLN A 119 911 1214 339 140 9 99 O +ATOM 986 NE2 GLN A 119 24.975 -37.364 4.377 1.00 5.89 N +ANISOU 986 NE2 GLN A 119 824 1112 302 -3 -80 -49 N +ATOM 987 N MET A 120 21.663 -34.649 5.119 1.00 4.74 N +ANISOU 987 N MET A 120 704 810 287 -133 -68 153 N +ATOM 988 CA MET A 120 20.613 -35.235 4.296 1.00 4.87 C +ANISOU 988 CA MET A 120 722 851 277 -114 -105 98 C +ATOM 989 C MET A 120 21.129 -36.462 3.565 1.00 4.80 C +ANISOU 989 C MET A 120 707 878 238 20 -22 68 C +ATOM 990 O MET A 120 22.303 -36.539 3.192 1.00 4.97 O +ANISOU 990 O MET A 120 766 886 238 -4 -40 52 O +ATOM 991 CB MET A 120 20.096 -34.233 3.275 1.00 5.83 C +ANISOU 991 CB MET A 120 873 978 362 -74 -154 164 C +ATOM 992 CG MET A 120 19.333 -33.071 3.915 1.00 6.55 C +ANISOU 992 CG MET A 120 876 1073 541 -125 -131 289 C +ATOM 993 SD MET A 120 18.819 -31.768 2.802 1.00 7.72 S +ANISOU 993 SD MET A 120 1034 1301 600 -57 -174 123 S +ATOM 994 CE MET A 120 20.326 -30.870 2.559 1.00 8.46 C +ANISOU 994 CE MET A 120 1246 1366 603 -164 102 376 C +ATOM 995 N VAL A 121 20.231 -37.407 3.338 1.00 4.72 N +ANISOU 995 N VAL A 121 662 890 243 -34 -3 -75 N +ATOM 996 CA VAL A 121 20.550 -38.684 2.727 1.00 4.92 C +ANISOU 996 CA VAL A 121 699 922 248 -39 -50 -6 C +ATOM 997 C VAL A 121 19.441 -39.038 1.737 1.00 5.04 C +ANISOU 997 C VAL A 121 744 923 248 -37 -32 -2 C +ATOM 998 O VAL A 121 18.264 -39.024 2.108 1.00 5.61 O +ANISOU 998 O VAL A 121 691 1134 305 -128 -42 -9 O +ATOM 999 CB VAL A 121 20.641 -39.791 3.804 1.00 5.06 C +ANISOU 999 CB VAL A 121 771 888 264 -49 -72 -8 C +ATOM 1000 CG1 VAL A 121 21.096 -41.111 3.168 1.00 5.87 C +ANISOU 1000 CG1 VAL A 121 915 1019 297 -37 -28 49 C +ATOM 1001 CG2 VAL A 121 21.582 -39.379 4.926 1.00 5.54 C +ANISOU 1001 CG2 VAL A 121 856 888 362 -43 -67 -13 C +ATOM 1002 N TYR A 122 19.810 -39.392 0.514 1.00 5.08 N +ANISOU 1002 N TYR A 122 763 889 278 -11 -75 6 N +ATOM 1003 CA TYR A 122 18.833 -39.712 -0.535 1.00 4.79 C +ANISOU 1003 CA TYR A 122 736 833 252 -174 -19 36 C +ATOM 1004 C TYR A 122 19.081 -41.070 -1.164 1.00 4.83 C +ANISOU 1004 C TYR A 122 696 846 292 -161 -59 52 C +ATOM 1005 O TYR A 122 20.152 -41.328 -1.707 1.00 5.25 O +ANISOU 1005 O TYR A 122 789 922 285 -119 -22 -14 O +ATOM 1006 CB TYR A 122 18.886 -38.666 -1.661 1.00 5.35 C +ANISOU 1006 CB TYR A 122 837 923 272 -88 -44 95 C +ATOM 1007 CG TYR A 122 18.587 -37.277 -1.196 1.00 5.02 C +ANISOU 1007 CG TYR A 122 787 841 280 -58 -39 159 C +ATOM 1008 CD1 TYR A 122 17.286 -36.811 -1.132 1.00 5.38 C +ANISOU 1008 CD1 TYR A 122 846 863 336 -101 -112 188 C +ATOM 1009 CD2 TYR A 122 19.612 -36.426 -0.814 1.00 5.12 C +ANISOU 1009 CD2 TYR A 122 811 837 299 -68 -151 111 C +ATOM 1010 CE1 TYR A 122 17.015 -35.539 -0.667 1.00 5.67 C +ANISOU 1010 CE1 TYR A 122 800 971 385 27 -115 7 C +ATOM 1011 CE2 TYR A 122 19.351 -35.155 -0.361 1.00 5.41 C +ANISOU 1011 CE2 TYR A 122 855 837 363 -57 -231 64 C +ATOM 1012 CZ TYR A 122 18.052 -34.707 -0.291 1.00 5.94 C +ANISOU 1012 CZ TYR A 122 875 922 461 81 -155 48 C +ATOM 1013 OH TYR A 122 17.778 -33.439 0.156 1.00 7.35 O +ANISOU 1013 OH TYR A 122 1029 1070 692 222 -201 -35 O +ATOM 1014 N GLY A 123 18.072 -41.926 -1.113 1.00 5.44 N +ANISOU 1014 N GLY A 123 811 932 325 -63 -22 -8 N +ATOM 1015 CA GLY A 123 18.067 -43.124 -1.915 1.00 5.50 C +ANISOU 1015 CA GLY A 123 815 861 412 -102 -160 -41 C +ATOM 1016 C GLY A 123 17.861 -42.834 -3.391 1.00 5.88 C +ANISOU 1016 C GLY A 123 908 908 418 -38 -141 -27 C +ATOM 1017 O GLY A 123 17.449 -41.735 -3.795 1.00 6.21 O +ANISOU 1017 O GLY A 123 1061 860 439 -33 -182 -81 O +ATOM 1018 N ASP A 124 18.123 -43.860 -4.194 1.00 5.41 N +ANISOU 1018 N ASP A 124 860 865 330 -23 -187 -87 N +ATOM 1019 CA ASP A 124 17.846 -43.828 -5.630 1.00 5.98 C +ANISOU 1019 CA ASP A 124 909 973 390 -48 -254 -85 C +ATOM 1020 C ASP A 124 16.447 -44.318 -5.968 1.00 6.58 C +ANISOU 1020 C ASP A 124 1007 1059 433 -47 -187 -146 C +ATOM 1021 O ASP A 124 16.017 -44.199 -7.105 1.00 7.25 O +ANISOU 1021 O ASP A 124 1158 1176 422 -79 -223 -105 O +ATOM 1022 CB ASP A 124 18.847 -44.691 -6.382 1.00 7.04 C +ANISOU 1022 CB ASP A 124 1001 1160 513 -41 -163 -142 C +ATOM 1023 CG ASP A 124 20.230 -44.069 -6.437 1.00 8.45 C +ANISOU 1023 CG ASP A 124 1102 1357 751 -45 -80 -167 C +ATOM 1024 OD1 ASP A 124 20.339 -42.831 -6.401 1.00 10.27 O +ANISOU 1024 OD1 ASP A 124 1210 1642 1050 -228 165 4 O +ATOM 1025 OD2 ASP A 124 21.203 -44.815 -6.553 1.00 9.74 O +ANISOU 1025 OD2 ASP A 124 1290 1477 932 78 -34 -166 O +ATOM 1026 N GLY A 125 15.746 -44.886 -4.993 1.00 6.90 N +ANISOU 1026 N GLY A 125 995 1089 539 -148 -194 -174 N +ATOM 1027 CA GLY A 125 14.498 -45.569 -5.260 1.00 6.93 C +ANISOU 1027 CA GLY A 125 964 1029 639 -242 -111 -13 C +ATOM 1028 C GLY A 125 14.756 -46.869 -5.998 1.00 8.17 C +ANISOU 1028 C GLY A 125 1073 1226 805 -90 -166 -181 C +ATOM 1029 O GLY A 125 15.867 -47.158 -6.421 1.00 8.70 O +ANISOU 1029 O GLY A 125 1210 1202 894 -35 -101 -262 O +ATOM 1030 N ASP A 126 13.708 -47.668 -6.152 1.00 8.48 N +ANISOU 1030 N ASP A 126 1047 1222 952 -110 -340 -329 N +ATOM 1031 CA ASP A 126 13.797 -48.942 -6.846 1.00 9.63 C +ANISOU 1031 CA ASP A 126 1308 1253 1096 -30 -312 -274 C +ATOM 1032 C ASP A 126 13.291 -48.854 -8.277 1.00 9.97 C +ANISOU 1032 C ASP A 126 1430 1221 1138 12 -233 -356 C +ATOM 1033 O ASP A 126 13.227 -49.853 -8.984 1.00 11.13 O +ANISOU 1033 O ASP A 126 1787 1202 1242 166 -222 -407 O +ATOM 1034 CB ASP A 126 13.070 -50.043 -6.076 1.00 10.29 C +ANISOU 1034 CB ASP A 126 1430 1318 1162 -209 -323 -145 C +ATOM 1035 CG ASP A 126 11.577 -49.819 -5.969 1.00 10.18 C +ANISOU 1035 CG ASP A 126 1527 1153 1188 -401 -343 -146 C +ATOM 1036 OD1 ASP A 126 11.053 -48.874 -6.589 1.00 10.49 O +ANISOU 1036 OD1 ASP A 126 1394 1414 1176 -213 -357 -157 O +ATOM 1037 OD2 ASP A 126 10.934 -50.589 -5.219 1.00 11.76 O +ANISOU 1037 OD2 ASP A 126 1741 1445 1280 -408 -226 -80 O +ATOM 1038 N GLY A 127 12.977 -47.645 -8.724 1.00 10.16 N +ANISOU 1038 N GLY A 127 1559 1166 1137 -62 -308 -384 N +ATOM 1039 CA GLY A 127 12.495 -47.429 -10.075 1.00 11.87 C +ANISOU 1039 CA GLY A 127 1817 1488 1205 149 -355 -338 C +ATOM 1040 C GLY A 127 11.013 -47.689 -10.261 1.00 13.20 C +ANISOU 1040 C GLY A 127 1826 1895 1295 354 -523 -411 C +ATOM 1041 O GLY A 127 10.471 -47.478 -11.346 1.00 15.60 O +ANISOU 1041 O GLY A 127 2147 2509 1271 556 -612 -388 O +ATOM 1042 N GLN A 128 10.357 -48.160 -9.207 1.00 12.29 N +ANISOU 1042 N GLN A 128 1608 1607 1455 68 -519 -504 N +ATOM 1043 CA GLN A 128 8.930 -48.468 -9.235 1.00 12.64 C +ANISOU 1043 CA GLN A 128 1661 1419 1723 -108 -542 -648 C +ATOM 1044 C GLN A 128 8.166 -47.569 -8.285 1.00 11.36 C +ANISOU 1044 C GLN A 128 1440 1239 1636 -238 -470 -480 C +ATOM 1045 O GLN A 128 7.264 -46.854 -8.703 1.00 12.47 O +ANISOU 1045 O GLN A 128 1592 1465 1680 -55 -510 -393 O +ATOM 1046 CB GLN A 128 8.698 -49.942 -8.887 1.00 15.82 C +ANISOU 1046 CB GLN A 128 1955 1894 2160 -242 -418 -703 C +ATOM 1047 CG GLN A 128 9.391 -50.877 -9.862 1.00 20.56 C +ANISOU 1047 CG GLN A 128 2614 2704 2496 84 -372 -814 C +ATOM 1048 CD GLN A 128 8.858 -50.727 -11.278 1.00 24.60 C +ANISOU 1048 CD GLN A 128 3131 3450 2765 432 -316 -882 C +ATOM 1049 OE1 GLN A 128 9.627 -50.633 -12.241 1.00 26.46 O +ANISOU 1049 OE1 GLN A 128 3472 3690 2892 593 -259 -913 O +ATOM 1050 NE2 GLN A 128 7.533 -50.713 -11.414 1.00 26.44 N +ANISOU 1050 NE2 GLN A 128 3307 3860 2878 616 -398 -940 N +ATOM 1051 N THR A 129 8.545 -47.565 -7.010 1.00 10.89 N +ANISOU 1051 N THR A 129 1323 1200 1615 -323 -350 -241 N +ATOM 1052 CA THR A 129 7.911 -46.674 -6.047 1.00 10.68 C +ANISOU 1052 CA THR A 129 1324 1226 1507 -391 -209 -104 C +ATOM 1053 C THR A 129 8.517 -45.273 -6.138 1.00 9.19 C +ANISOU 1053 C THR A 129 1087 1199 1204 -223 -227 -162 C +ATOM 1054 O THR A 129 7.795 -44.290 -6.056 1.00 9.12 O +ANISOU 1054 O THR A 129 1013 1265 1188 -83 -202 -166 O +ATOM 1055 CB THR A 129 8.023 -47.221 -4.605 1.00 12.51 C +ANISOU 1055 CB THR A 129 1665 1368 1720 -490 -90 69 C +ATOM 1056 OG1 THR A 129 7.255 -48.419 -4.497 1.00 14.68 O +ANISOU 1056 OG1 THR A 129 2008 1656 1915 -514 162 126 O +ATOM 1057 CG2 THR A 129 7.470 -46.258 -3.595 1.00 13.75 C +ANISOU 1057 CG2 THR A 129 1805 1698 1720 -229 -110 98 C +ATOM 1058 N PHE A 130 9.837 -45.180 -6.304 1.00 7.86 N +ANISOU 1058 N PHE A 130 933 1089 964 -167 -217 -125 N +ATOM 1059 CA PHE A 130 10.525 -43.898 -6.469 1.00 7.65 C +ANISOU 1059 CA PHE A 130 983 1130 793 16 -244 -174 C +ATOM 1060 C PHE A 130 11.621 -43.996 -7.508 1.00 7.79 C +ANISOU 1060 C PHE A 130 1057 1119 782 -16 -207 -180 C +ATOM 1061 O PHE A 130 12.214 -45.061 -7.695 1.00 8.08 O +ANISOU 1061 O PHE A 130 1103 1120 846 -72 -171 -220 O +ATOM 1062 CB PHE A 130 11.223 -43.469 -5.170 1.00 7.49 C +ANISOU 1062 CB PHE A 130 965 1169 713 -74 -227 -213 C +ATOM 1063 CG PHE A 130 10.305 -42.928 -4.109 1.00 7.83 C +ANISOU 1063 CG PHE A 130 990 1214 771 -42 -249 -200 C +ATOM 1064 CD1 PHE A 130 9.820 -41.636 -4.195 1.00 8.72 C +ANISOU 1064 CD1 PHE A 130 1155 1300 858 118 -306 -241 C +ATOM 1065 CD2 PHE A 130 9.981 -43.678 -2.996 1.00 9.42 C +ANISOU 1065 CD2 PHE A 130 1249 1419 909 91 -37 10 C +ATOM 1066 CE1 PHE A 130 9.000 -41.116 -3.202 1.00 9.26 C +ANISOU 1066 CE1 PHE A 130 1169 1400 951 18 -247 -351 C +ATOM 1067 CE2 PHE A 130 9.152 -43.158 -2.001 1.00 10.11 C +ANISOU 1067 CE2 PHE A 130 1354 1505 985 -47 -31 -65 C +ATOM 1068 CZ PHE A 130 8.670 -41.879 -2.112 1.00 9.89 C +ANISOU 1068 CZ PHE A 130 1164 1621 971 -51 -49 -297 C +ATOM 1069 N ILE A 131 11.903 -42.861 -8.139 1.00 7.43 N +ANISOU 1069 N ILE A 131 1017 1079 729 -45 -166 -140 N +ATOM 1070 CA ILE A 131 13.170 -42.606 -8.807 1.00 7.56 C +ANISOU 1070 CA ILE A 131 1084 1180 609 -92 -176 -132 C +ATOM 1071 C ILE A 131 14.024 -41.779 -7.822 1.00 6.80 C +ANISOU 1071 C ILE A 131 1017 1153 414 -39 -115 -79 C +ATOM 1072 O ILE A 131 13.571 -41.467 -6.729 1.00 6.60 O +ANISOU 1072 O ILE A 131 981 1154 372 -151 -20 -73 O +ATOM 1073 CB ILE A 131 12.950 -41.915 -10.174 1.00 8.29 C +ANISOU 1073 CB ILE A 131 1183 1361 605 -144 -207 -225 C +ATOM 1074 CG1 ILE A 131 12.351 -40.515 -10.008 1.00 9.23 C +ANISOU 1074 CG1 ILE A 131 1303 1550 652 -1 -178 -4 C +ATOM 1075 CG2 ILE A 131 12.066 -42.797 -11.065 1.00 9.70 C +ANISOU 1075 CG2 ILE A 131 1387 1610 690 -166 -288 -260 C +ATOM 1076 CD1 ILE A 131 12.164 -39.781 -11.326 1.00 9.96 C +ANISOU 1076 CD1 ILE A 131 1386 1695 704 39 -268 26 C +ATOM 1077 N PRO A 132 15.261 -41.417 -8.187 1.00 6.41 N +ANISOU 1077 N PRO A 132 1032 1087 315 -75 -101 -72 N +ATOM 1078 CA PRO A 132 16.112 -40.834 -7.145 1.00 6.27 C +ANISOU 1078 CA PRO A 132 1030 1014 340 -79 -132 -70 C +ATOM 1079 C PRO A 132 15.482 -39.614 -6.489 1.00 6.09 C +ANISOU 1079 C PRO A 132 981 1008 326 -139 -143 -6 C +ATOM 1080 O PRO A 132 15.040 -38.692 -7.168 1.00 6.60 O +ANISOU 1080 O PRO A 132 1061 1095 354 -85 -189 31 O +ATOM 1081 CB PRO A 132 17.400 -40.528 -7.904 1.00 6.40 C +ANISOU 1081 CB PRO A 132 1011 1106 313 -17 -90 -82 C +ATOM 1082 CG PRO A 132 17.488 -41.640 -8.910 1.00 6.71 C +ANISOU 1082 CG PRO A 132 1059 1167 322 -20 -77 -98 C +ATOM 1083 CD PRO A 132 16.054 -41.807 -9.369 1.00 6.55 C +ANISOU 1083 CD PRO A 132 1056 1119 314 -13 -47 -123 C +ATOM 1084 N LEU A 133 15.427 -39.639 -5.162 1.00 5.99 N +ANISOU 1084 N LEU A 133 929 1008 339 -93 -112 -57 N +ATOM 1085 CA LEU A 133 14.474 -38.791 -4.461 1.00 5.82 C +ANISOU 1085 CA LEU A 133 843 1011 358 -130 -74 7 C +ATOM 1086 C LEU A 133 14.862 -37.326 -4.427 1.00 5.53 C +ANISOU 1086 C LEU A 133 826 933 343 -159 -141 -91 C +ATOM 1087 O LEU A 133 13.994 -36.467 -4.251 1.00 6.26 O +ANISOU 1087 O LEU A 133 895 957 526 -26 -53 -8 O +ATOM 1088 CB LEU A 133 14.180 -39.329 -3.060 1.00 6.29 C +ANISOU 1088 CB LEU A 133 949 1017 424 -57 -4 74 C +ATOM 1089 CG LEU A 133 13.240 -40.556 -3.001 1.00 7.26 C +ANISOU 1089 CG LEU A 133 1099 1080 581 -57 77 134 C +ATOM 1090 CD1 LEU A 133 13.978 -41.852 -3.203 1.00 7.15 C +ANISOU 1090 CD1 LEU A 133 1065 1034 616 -182 21 55 C +ATOM 1091 CD2 LEU A 133 12.468 -40.573 -1.722 1.00 8.30 C +ANISOU 1091 CD2 LEU A 133 1167 1281 704 -120 203 24 C +ATOM 1092 N SER A 134 16.132 -37.032 -4.649 1.00 5.20 N +ANISOU 1092 N SER A 134 776 922 277 -112 -25 -26 N +ATOM 1093 CA SER A 134 16.575 -35.651 -4.744 1.00 5.48 C +ANISOU 1093 CA SER A 134 830 975 278 -127 -24 -60 C +ATOM 1094 C SER A 134 16.013 -34.943 -5.981 1.00 5.62 C +ANISOU 1094 C SER A 134 924 926 283 -91 -65 -89 C +ATOM 1095 O SER A 134 16.172 -33.737 -6.105 1.00 6.38 O +ANISOU 1095 O SER A 134 1032 1026 368 -57 -27 21 O +ATOM 1096 CB SER A 134 18.091 -35.558 -4.722 1.00 6.01 C +ANISOU 1096 CB SER A 134 933 1050 299 -66 -53 -103 C +ATOM 1097 OG SER A 134 18.610 -36.287 -5.806 1.00 6.85 O +ANISOU 1097 OG SER A 134 910 1313 378 -21 10 -176 O +ATOM 1098 N GLY A 135 15.390 -35.673 -6.910 1.00 5.82 N +ANISOU 1098 N GLY A 135 981 943 288 -56 -35 1 N +ATOM 1099 CA GLY A 135 14.741 -35.040 -8.049 1.00 6.94 C +ANISOU 1099 CA GLY A 135 1139 1183 316 15 -45 82 C +ATOM 1100 C GLY A 135 13.515 -34.210 -7.678 1.00 6.56 C +ANISOU 1100 C GLY A 135 1057 1098 339 -88 -162 -3 C +ATOM 1101 O GLY A 135 12.996 -33.494 -8.520 1.00 7.03 O +ANISOU 1101 O GLY A 135 1111 1161 398 114 -146 158 O +ATOM 1102 N GLY A 136 13.025 -34.332 -6.449 1.00 6.08 N +ANISOU 1102 N GLY A 136 990 960 362 28 -183 -75 N +ATOM 1103 CA GLY A 136 11.890 -33.552 -5.981 1.00 6.36 C +ANISOU 1103 CA GLY A 136 962 1057 399 -26 -197 -186 C +ATOM 1104 C GLY A 136 12.341 -32.388 -5.127 1.00 5.48 C +ANISOU 1104 C GLY A 136 870 931 280 4 -126 -83 C +ATOM 1105 O GLY A 136 12.927 -32.583 -4.059 1.00 5.89 O +ANISOU 1105 O GLY A 136 891 1020 326 -15 -197 -13 O +ATOM 1106 N ILE A 137 12.078 -31.166 -5.569 1.00 5.91 N +ANISOU 1106 N ILE A 137 880 1026 339 -53 -198 -53 N +ATOM 1107 CA ILE A 137 12.453 -30.007 -4.780 1.00 5.82 C +ANISOU 1107 CA ILE A 137 906 935 371 -48 -176 -7 C +ATOM 1108 C ILE A 137 11.709 -30.018 -3.435 1.00 5.40 C +ANISOU 1108 C ILE A 137 830 894 327 -26 -219 3 C +ATOM 1109 O ILE A 137 12.278 -29.655 -2.406 1.00 6.11 O +ANISOU 1109 O ILE A 137 907 1003 411 -88 -200 -18 O +ATOM 1110 CB ILE A 137 12.243 -28.687 -5.559 1.00 7.65 C +ANISOU 1110 CB ILE A 137 1299 1039 568 69 -86 7 C +ATOM 1111 CG1 ILE A 137 12.758 -27.517 -4.720 1.00 9.72 C +ANISOU 1111 CG1 ILE A 137 1803 1184 705 103 112 179 C +ATOM 1112 CG2 ILE A 137 10.783 -28.489 -5.967 1.00 8.47 C +ANISOU 1112 CG2 ILE A 137 1325 1205 690 228 -87 162 C +ATOM 1113 CD1 ILE A 137 12.880 -26.247 -5.472 1.00 11.30 C +ANISOU 1113 CD1 ILE A 137 1934 1515 843 87 90 211 C +ATOM 1114 N ASP A 138 10.436 -30.413 -3.431 1.00 5.52 N +ANISOU 1114 N ASP A 138 773 1002 321 25 -169 -59 N +ATOM 1115 CA ASP A 138 9.715 -30.523 -2.174 1.00 5.28 C +ANISOU 1115 CA ASP A 138 793 903 313 -32 -153 -100 C +ATOM 1116 C ASP A 138 10.342 -31.544 -1.242 1.00 5.23 C +ANISOU 1116 C ASP A 138 744 904 338 -121 -147 -128 C +ATOM 1117 O ASP A 138 10.351 -31.339 -0.034 1.00 5.84 O +ANISOU 1117 O ASP A 138 828 1089 301 -42 -60 -86 O +ATOM 1118 CB ASP A 138 8.203 -30.768 -2.361 1.00 5.89 C +ANISOU 1118 CB ASP A 138 849 915 473 74 -217 -50 C +ATOM 1119 CG ASP A 138 7.841 -31.951 -3.257 1.00 7.05 C +ANISOU 1119 CG ASP A 138 891 1133 654 67 -283 -110 C +ATOM 1120 OD1 ASP A 138 8.711 -32.696 -3.736 1.00 8.37 O +ANISOU 1120 OD1 ASP A 138 982 1297 899 124 -443 -393 O +ATOM 1121 OD2 ASP A 138 6.611 -32.142 -3.455 1.00 6.89 O +ANISOU 1121 OD2 ASP A 138 904 1114 600 -49 -248 -79 O +ATOM 1122 N VAL A 139 10.885 -32.618 -1.792 1.00 5.68 N +ANISOU 1122 N VAL A 139 858 988 314 -63 -168 -42 N +ATOM 1123 CA VAL A 139 11.575 -33.628 -0.995 1.00 5.39 C +ANISOU 1123 CA VAL A 139 834 881 333 -115 -160 -26 C +ATOM 1124 C VAL A 139 12.848 -33.061 -0.362 1.00 4.87 C +ANISOU 1124 C VAL A 139 710 865 276 -122 -120 45 C +ATOM 1125 O VAL A 139 13.084 -33.214 0.842 1.00 5.32 O +ANISOU 1125 O VAL A 139 758 980 282 -63 -110 -6 O +ATOM 1126 CB VAL A 139 11.911 -34.878 -1.843 1.00 5.78 C +ANISOU 1126 CB VAL A 139 955 852 388 -93 -121 -25 C +ATOM 1127 CG1 VAL A 139 12.697 -35.869 -1.008 1.00 6.18 C +ANISOU 1127 CG1 VAL A 139 914 956 477 -58 -31 -43 C +ATOM 1128 CG2 VAL A 139 10.631 -35.498 -2.391 1.00 6.23 C +ANISOU 1128 CG2 VAL A 139 1070 917 379 45 -163 -89 C +ATOM 1129 N VAL A 140 13.677 -32.411 -1.163 1.00 5.04 N +ANISOU 1129 N VAL A 140 724 911 280 -102 -122 -3 N +ATOM 1130 CA VAL A 140 14.913 -31.836 -0.644 1.00 4.99 C +ANISOU 1130 CA VAL A 140 702 916 277 -150 -86 -21 C +ATOM 1131 C VAL A 140 14.591 -30.829 0.460 1.00 5.17 C +ANISOU 1131 C VAL A 140 728 960 275 -129 -74 5 C +ATOM 1132 O VAL A 140 15.199 -30.842 1.538 1.00 5.26 O +ANISOU 1132 O VAL A 140 778 951 270 -115 -25 -66 O +ATOM 1133 CB VAL A 140 15.741 -31.197 -1.775 1.00 4.93 C +ANISOU 1133 CB VAL A 140 746 863 265 -117 -103 4 C +ATOM 1134 CG1 VAL A 140 16.905 -30.389 -1.188 1.00 5.18 C +ANISOU 1134 CG1 VAL A 140 775 926 268 -66 -27 108 C +ATOM 1135 CG2 VAL A 140 16.245 -32.278 -2.738 1.00 5.22 C +ANISOU 1135 CG2 VAL A 140 764 950 269 -101 -75 -12 C +ATOM 1136 N ALA A 141 13.639 -29.945 0.203 1.00 4.84 N +ANISOU 1136 N ALA A 141 698 865 277 -50 -138 -61 N +ATOM 1137 CA ALA A 141 13.288 -28.955 1.193 1.00 5.43 C +ANISOU 1137 CA ALA A 141 854 920 288 8 -147 -55 C +ATOM 1138 C ALA A 141 12.643 -29.600 2.433 1.00 5.50 C +ANISOU 1138 C ALA A 141 868 946 275 13 -97 -54 C +ATOM 1139 O ALA A 141 12.837 -29.116 3.548 1.00 5.31 O +ANISOU 1139 O ALA A 141 857 913 249 -15 -84 9 O +ATOM 1140 CB ALA A 141 12.403 -27.880 0.583 1.00 5.76 C +ANISOU 1140 CB ALA A 141 823 1070 296 -49 -93 -31 C +ATOM 1141 N HIS A 142 11.871 -30.669 2.248 1.00 4.94 N +ANISOU 1141 N HIS A 142 695 913 267 -61 -90 73 N +ATOM 1142 CA HIS A 142 11.336 -31.434 3.369 1.00 4.74 C +ANISOU 1142 CA HIS A 142 636 914 251 -44 -64 -5 C +ATOM 1143 C HIS A 142 12.478 -31.908 4.273 1.00 4.63 C +ANISOU 1143 C HIS A 142 701 799 258 -88 -65 -111 C +ATOM 1144 O HIS A 142 12.421 -31.787 5.505 1.00 4.99 O +ANISOU 1144 O HIS A 142 631 985 281 -55 -90 -34 O +ATOM 1145 CB HIS A 142 10.505 -32.603 2.803 1.00 4.98 C +ANISOU 1145 CB HIS A 142 624 951 318 -22 -159 -12 C +ATOM 1146 CG HIS A 142 9.944 -33.527 3.845 1.00 4.78 C +ANISOU 1146 CG HIS A 142 675 867 273 -133 -110 -9 C +ATOM 1147 ND1 HIS A 142 8.594 -33.642 4.107 1.00 5.03 N +ANISOU 1147 ND1 HIS A 142 722 928 262 -12 -100 -21 N +ATOM 1148 CD2 HIS A 142 10.558 -34.415 4.668 1.00 4.63 C +ANISOU 1148 CD2 HIS A 142 660 843 255 -128 -77 14 C +ATOM 1149 CE1 HIS A 142 8.411 -34.541 5.064 1.00 5.09 C +ANISOU 1149 CE1 HIS A 142 636 983 315 -140 -121 -29 C +ATOM 1150 NE2 HIS A 142 9.587 -35.038 5.412 1.00 5.67 N +ANISOU 1150 NE2 HIS A 142 762 999 391 -85 -129 -170 N +ATOM 1151 N GLU A 143 13.508 -32.475 3.653 1.00 4.70 N +ANISOU 1151 N GLU A 143 749 801 237 42 -106 -9 N +ATOM 1152 CA GLU A 143 14.623 -32.998 4.428 1.00 4.52 C +ANISOU 1152 CA GLU A 143 726 762 228 8 -78 27 C +ATOM 1153 C GLU A 143 15.388 -31.899 5.155 1.00 5.21 C +ANISOU 1153 C GLU A 143 661 1030 290 -80 -83 -29 C +ATOM 1154 O GLU A 143 15.710 -32.037 6.343 1.00 5.41 O +ANISOU 1154 O GLU A 143 736 1029 290 -54 -99 -15 O +ATOM 1155 CB GLU A 143 15.567 -33.834 3.567 1.00 5.98 C +ANISOU 1155 CB GLU A 143 808 1037 427 32 -99 -61 C +ATOM 1156 CG GLU A 143 14.932 -35.003 2.789 1.00 6.19 C +ANISOU 1156 CG GLU A 143 883 931 538 -68 -78 -99 C +ATOM 1157 CD GLU A 143 14.011 -35.888 3.592 1.00 8.59 C +ANISOU 1157 CD GLU A 143 1263 1219 783 23 27 -175 C +ATOM 1158 OE1 GLU A 143 14.190 -36.012 4.813 1.00 9.13 O +ANISOU 1158 OE1 GLU A 143 1585 1077 806 201 57 70 O +ATOM 1159 OE2 GLU A 143 13.063 -36.429 2.993 1.00 10.45 O +ANISOU 1159 OE2 GLU A 143 1472 1464 1034 -256 189 -14 O +ATOM 1160 N LEU A 144 15.708 -30.813 4.463 1.00 5.06 N +ANISOU 1160 N LEU A 144 625 923 375 -182 -170 -55 N +ATOM 1161 CA LEU A 144 16.465 -29.749 5.128 1.00 5.82 C +ANISOU 1161 CA LEU A 144 768 979 465 -104 -186 -72 C +ATOM 1162 C LEU A 144 15.633 -29.137 6.245 1.00 5.52 C +ANISOU 1162 C LEU A 144 781 928 387 -131 -178 -146 C +ATOM 1163 O LEU A 144 16.160 -28.718 7.276 1.00 5.78 O +ANISOU 1163 O LEU A 144 742 1111 342 -167 -74 -110 O +ATOM 1164 CB LEU A 144 16.912 -28.690 4.125 1.00 7.63 C +ANISOU 1164 CB LEU A 144 1021 1208 670 -192 -79 15 C +ATOM 1165 CG LEU A 144 17.977 -27.709 4.651 1.00 10.53 C +ANISOU 1165 CG LEU A 144 1392 1618 992 -237 -50 134 C +ATOM 1166 CD1 LEU A 144 19.132 -28.367 5.369 1.00 11.72 C +ANISOU 1166 CD1 LEU A 144 1503 1902 1047 -301 -58 9 C +ATOM 1167 CD2 LEU A 144 18.533 -26.878 3.490 1.00 12.18 C +ANISOU 1167 CD2 LEU A 144 1626 1837 1167 -302 -157 225 C +ATOM 1168 N THR A 145 14.316 -29.106 6.054 1.00 5.30 N +ANISOU 1168 N THR A 145 739 952 322 -72 -167 -70 N +ATOM 1169 CA THR A 145 13.449 -28.555 7.080 1.00 5.14 C +ANISOU 1169 CA THR A 145 792 873 289 -89 -97 -84 C +ATOM 1170 C THR A 145 13.475 -29.407 8.360 1.00 5.05 C +ANISOU 1170 C THR A 145 785 834 301 -78 -18 -22 C +ATOM 1171 O THR A 145 13.316 -28.867 9.446 1.00 5.45 O +ANISOU 1171 O THR A 145 844 940 288 -49 -23 -77 O +ATOM 1172 CB THR A 145 12.016 -28.332 6.538 1.00 5.07 C +ANISOU 1172 CB THR A 145 787 828 311 -130 -25 82 C +ATOM 1173 OG1 THR A 145 12.081 -27.350 5.494 1.00 5.72 O +ANISOU 1173 OG1 THR A 145 847 890 436 -67 -33 72 O +ATOM 1174 CG2 THR A 145 11.085 -27.813 7.625 1.00 5.62 C +ANISOU 1174 CG2 THR A 145 884 923 328 -54 -83 12 C +ATOM 1175 N HIS A 146 13.684 -30.720 8.258 1.00 5.20 N +ANISOU 1175 N HIS A 146 832 875 268 -77 -117 -20 N +ATOM 1176 CA HIS A 146 13.879 -31.510 9.461 1.00 5.13 C +ANISOU 1176 CA HIS A 146 787 847 317 -75 -24 -4 C +ATOM 1177 C HIS A 146 15.054 -30.965 10.285 1.00 5.30 C +ANISOU 1177 C HIS A 146 777 904 334 -141 -25 -6 C +ATOM 1178 O HIS A 146 14.978 -30.921 11.511 1.00 6.05 O +ANISOU 1178 O HIS A 146 933 1025 343 -151 -63 -33 O +ATOM 1179 CB HIS A 146 14.109 -32.981 9.126 1.00 5.60 C +ANISOU 1179 CB HIS A 146 855 841 433 -84 14 72 C +ATOM 1180 CG HIS A 146 12.857 -33.754 8.854 1.00 5.07 C +ANISOU 1180 CG HIS A 146 753 831 341 -167 -37 109 C +ATOM 1181 ND1 HIS A 146 11.799 -33.784 9.738 1.00 5.37 N +ANISOU 1181 ND1 HIS A 146 837 920 281 -110 25 13 N +ATOM 1182 CD2 HIS A 146 12.495 -34.547 7.813 1.00 5.25 C +ANISOU 1182 CD2 HIS A 146 665 956 375 -61 -32 57 C +ATOM 1183 CE1 HIS A 146 10.845 -34.560 9.248 1.00 5.45 C +ANISOU 1183 CE1 HIS A 146 785 953 335 -168 48 -186 C +ATOM 1184 NE2 HIS A 146 11.248 -35.049 8.090 1.00 5.39 N +ANISOU 1184 NE2 HIS A 146 801 863 385 -1 -12 -70 N +ATOM 1185 N ALA A 147 16.139 -30.569 9.626 1.00 5.21 N +ANISOU 1185 N ALA A 147 613 1040 326 -170 -83 -78 N +ATOM 1186 CA ALA A 147 17.275 -29.970 10.330 1.00 5.52 C +ANISOU 1186 CA ALA A 147 710 1038 352 -95 -88 22 C +ATOM 1187 C ALA A 147 16.868 -28.662 11.013 1.00 5.74 C +ANISOU 1187 C ALA A 147 750 1059 371 -132 -79 -95 C +ATOM 1188 O ALA A 147 17.247 -28.405 12.154 1.00 6.20 O +ANISOU 1188 O ALA A 147 939 1065 352 -19 -119 1 O +ATOM 1189 CB ALA A 147 18.421 -29.748 9.386 1.00 6.27 C +ANISOU 1189 CB ALA A 147 816 1174 393 -81 -159 -40 C +ATOM 1190 N VAL A 148 16.125 -27.813 10.310 1.00 5.79 N +ANISOU 1190 N VAL A 148 801 1028 372 -97 -104 -175 N +ATOM 1191 CA VAL A 148 15.605 -26.577 10.909 1.00 5.89 C +ANISOU 1191 CA VAL A 148 895 955 389 -164 -91 -138 C +ATOM 1192 C VAL A 148 14.780 -26.879 12.146 1.00 6.00 C +ANISOU 1192 C VAL A 148 881 1007 391 -103 -70 -174 C +ATOM 1193 O VAL A 148 14.995 -26.288 13.200 1.00 6.28 O +ANISOU 1193 O VAL A 148 942 1023 423 -81 -11 -160 O +ATOM 1194 CB VAL A 148 14.791 -25.762 9.874 1.00 6.09 C +ANISOU 1194 CB VAL A 148 830 1052 430 -239 -82 -67 C +ATOM 1195 CG1 VAL A 148 14.133 -24.548 10.533 1.00 6.55 C +ANISOU 1195 CG1 VAL A 148 874 1098 517 -50 -17 -8 C +ATOM 1196 CG2 VAL A 148 15.661 -25.357 8.681 1.00 6.31 C +ANISOU 1196 CG2 VAL A 148 934 1061 403 -167 -130 -25 C +ATOM 1197 N THR A 149 13.831 -27.795 12.032 1.00 5.92 N +ANISOU 1197 N THR A 149 885 1024 340 -62 -24 -169 N +ATOM 1198 CA THR A 149 13.037 -28.180 13.188 1.00 5.85 C +ANISOU 1198 CA THR A 149 887 927 410 -122 -58 -77 C +ATOM 1199 C THR A 149 13.914 -28.659 14.336 1.00 6.11 C +ANISOU 1199 C THR A 149 1026 925 372 -26 -64 -158 C +ATOM 1200 O THR A 149 13.716 -28.241 15.477 1.00 6.51 O +ANISOU 1200 O THR A 149 1090 1007 377 -83 -88 -218 O +ATOM 1201 CB THR A 149 12.032 -29.249 12.774 1.00 6.71 C +ANISOU 1201 CB THR A 149 983 1044 521 1 -27 -57 C +ATOM 1202 OG1 THR A 149 11.131 -28.636 11.854 1.00 6.39 O +ANISOU 1202 OG1 THR A 149 852 984 593 -96 -133 -42 O +ATOM 1203 CG2 THR A 149 11.301 -29.812 13.982 1.00 7.75 C +ANISOU 1203 CG2 THR A 149 1085 1223 637 -179 12 -18 C +ATOM 1204 N ASP A 150 14.878 -29.523 14.052 1.00 6.34 N +ANISOU 1204 N ASP A 150 1073 944 391 51 -105 -124 N +ATOM 1205 CA ASP A 150 15.697 -30.070 15.112 1.00 7.24 C +ANISOU 1205 CA ASP A 150 1304 1060 386 119 -160 -9 C +ATOM 1206 C ASP A 150 16.494 -29.006 15.849 1.00 6.82 C +ANISOU 1206 C ASP A 150 1182 1074 333 21 -142 -7 C +ATOM 1207 O ASP A 150 16.759 -29.160 17.042 1.00 7.05 O +ANISOU 1207 O ASP A 150 1192 1136 349 30 -167 -25 O +ATOM 1208 CB ASP A 150 16.617 -31.150 14.549 1.00 7.83 C +ANISOU 1208 CB ASP A 150 1439 1103 432 134 -210 -42 C +ATOM 1209 CG ASP A 150 15.861 -32.414 14.101 1.00 8.21 C +ANISOU 1209 CG ASP A 150 1559 1072 490 38 -120 -123 C +ATOM 1210 OD1 ASP A 150 14.629 -32.512 14.311 1.00 9.88 O +ANISOU 1210 OD1 ASP A 150 1799 1341 613 -38 -231 -134 O +ATOM 1211 OD2 ASP A 150 16.491 -33.278 13.494 1.00 10.27 O +ANISOU 1211 OD2 ASP A 150 1977 1222 704 135 5 32 O +ATOM 1212 N TYR A 151 16.890 -27.942 15.153 1.00 6.76 N +ANISOU 1212 N TYR A 151 1036 1120 411 111 -179 -101 N +ATOM 1213 CA TYR A 151 17.631 -26.855 15.760 1.00 7.58 C +ANISOU 1213 CA TYR A 151 934 1354 591 -33 -79 -150 C +ATOM 1214 C TYR A 151 16.743 -25.827 16.445 1.00 7.78 C +ANISOU 1214 C TYR A 151 941 1291 724 -82 -118 -411 C +ATOM 1215 O TYR A 151 17.265 -24.967 17.157 1.00 9.74 O +ANISOU 1215 O TYR A 151 1071 1610 1018 -77 -141 -655 O +ATOM 1216 CB TYR A 151 18.534 -26.156 14.724 1.00 8.18 C +ANISOU 1216 CB TYR A 151 951 1502 656 -54 17 63 C +ATOM 1217 CG TYR A 151 19.899 -26.815 14.611 1.00 10.86 C +ANISOU 1217 CG TYR A 151 1156 2032 937 -51 -9 256 C +ATOM 1218 CD1 TYR A 151 20.957 -26.433 15.408 1.00 12.45 C +ANISOU 1218 CD1 TYR A 151 1129 2523 1080 -7 -13 224 C +ATOM 1219 CD2 TYR A 151 20.083 -27.898 13.765 1.00 12.51 C +ANISOU 1219 CD2 TYR A 151 1389 2274 1092 279 -11 334 C +ATOM 1220 CE1 TYR A 151 22.194 -27.090 15.312 1.00 13.61 C +ANISOU 1220 CE1 TYR A 151 1244 2694 1232 78 -76 328 C +ATOM 1221 CE2 TYR A 151 21.281 -28.550 13.670 1.00 14.39 C +ANISOU 1221 CE2 TYR A 151 1522 2672 1273 342 4 374 C +ATOM 1222 CZ TYR A 151 22.334 -28.151 14.439 1.00 14.85 C +ANISOU 1222 CZ TYR A 151 1400 2902 1340 235 -25 380 C +ATOM 1223 OH TYR A 151 23.535 -28.831 14.340 1.00 17.70 O +ANISOU 1223 OH TYR A 151 1720 3446 1561 573 41 257 O +ATOM 1224 N THR A 152 15.426 -25.887 16.243 1.00 6.70 N +ANISOU 1224 N THR A 152 934 1027 583 -66 -112 -245 N +ATOM 1225 CA THR A 152 14.506 -24.872 16.751 1.00 6.78 C +ANISOU 1225 CA THR A 152 1043 1008 524 -92 -27 -222 C +ATOM 1226 C THR A 152 13.529 -25.543 17.715 1.00 6.57 C +ANISOU 1226 C THR A 152 968 1094 433 -30 -106 -169 C +ATOM 1227 O THR A 152 13.884 -25.823 18.864 1.00 7.52 O +ANISOU 1227 O THR A 152 1155 1304 400 -76 -208 -40 O +ATOM 1228 CB THR A 152 13.838 -24.085 15.583 1.00 7.05 C +ANISOU 1228 CB THR A 152 1118 946 614 -78 157 -97 C +ATOM 1229 OG1 THR A 152 13.071 -24.947 14.745 1.00 6.87 O +ANISOU 1229 OG1 THR A 152 1024 975 612 65 91 -70 O +ATOM 1230 CG2 THR A 152 14.893 -23.379 14.759 1.00 7.81 C +ANISOU 1230 CG2 THR A 152 1197 1049 719 -35 180 -68 C +ATOM 1231 N ALA A 153 12.311 -25.841 17.274 1.00 6.02 N +ANISOU 1231 N ALA A 153 872 959 456 -33 -59 -101 N +ATOM 1232 CA ALA A 153 11.312 -26.416 18.167 1.00 6.18 C +ANISOU 1232 CA ALA A 153 965 920 463 -28 3 63 C +ATOM 1233 C ALA A 153 11.768 -27.740 18.760 1.00 6.38 C +ANISOU 1233 C ALA A 153 1034 945 445 -34 -92 -3 C +ATOM 1234 O ALA A 153 11.473 -28.049 19.911 1.00 6.94 O +ANISOU 1234 O ALA A 153 1145 1084 407 -51 -27 60 O +ATOM 1235 CB ALA A 153 10.010 -26.619 17.436 1.00 6.50 C +ANISOU 1235 CB ALA A 153 989 935 548 -127 -2 130 C +ATOM 1236 N GLY A 154 12.431 -28.555 17.957 1.00 6.24 N +ANISOU 1236 N GLY A 154 1122 827 422 -26 -123 -31 N +ATOM 1237 CA GLY A 154 12.942 -29.830 18.446 1.00 6.45 C +ANISOU 1237 CA GLY A 154 1027 993 430 -64 -178 -44 C +ATOM 1238 C GLY A 154 11.877 -30.901 18.635 1.00 6.69 C +ANISOU 1238 C GLY A 154 1091 1024 425 -52 -224 8 C +ATOM 1239 O GLY A 154 12.032 -31.817 19.450 1.00 7.04 O +ANISOU 1239 O GLY A 154 1168 1056 449 -137 -294 10 O +ATOM 1240 N LEU A 155 10.790 -30.771 17.890 1.00 6.51 N +ANISOU 1240 N LEU A 155 1083 964 427 -75 -210 -48 N +ATOM 1241 CA LEU A 155 9.662 -31.692 17.968 1.00 6.30 C +ANISOU 1241 CA LEU A 155 1029 936 429 -117 -163 -1 C +ATOM 1242 C LEU A 155 10.099 -33.140 17.937 1.00 6.20 C +ANISOU 1242 C LEU A 155 984 940 433 -94 -152 -11 C +ATOM 1243 O LEU A 155 10.676 -33.601 16.964 1.00 7.06 O +ANISOU 1243 O LEU A 155 1145 997 542 68 -55 55 O +ATOM 1244 CB LEU A 155 8.711 -31.394 16.812 1.00 6.77 C +ANISOU 1244 CB LEU A 155 1083 1057 432 -21 -84 -4 C +ATOM 1245 CG LEU A 155 8.012 -30.027 16.883 1.00 7.04 C +ANISOU 1245 CG LEU A 155 1066 1086 522 -83 -76 11 C +ATOM 1246 CD1 LEU A 155 7.634 -29.575 15.498 1.00 7.58 C +ANISOU 1246 CD1 LEU A 155 1046 1317 517 13 -145 100 C +ATOM 1247 CD2 LEU A 155 6.793 -30.065 17.779 1.00 7.86 C +ANISOU 1247 CD2 LEU A 155 1194 1181 610 11 -121 -127 C +ATOM 1248 N ILE A 156 9.764 -33.847 19.002 1.00 6.50 N +ANISOU 1248 N ILE A 156 1031 930 507 -126 -116 2 N +ATOM 1249 CA AILE A 156 10.097 -35.260 19.157 0.71 7.00 C +ANISOU 1249 CA AILE A 156 1164 972 523 -204 -155 57 C +ATOM 1250 CA BILE A 156 10.086 -35.266 19.151 0.29 7.12 C +ANISOU 1250 CA BILE A 156 1191 974 541 -47 -138 48 C +ATOM 1251 C ILE A 156 9.401 -36.063 18.048 1.00 6.39 C +ANISOU 1251 C ILE A 156 1048 834 545 -118 -134 48 C +ATOM 1252 O ILE A 156 8.236 -35.827 17.741 1.00 6.66 O +ANISOU 1252 O ILE A 156 976 937 617 20 -139 -1 O +ATOM 1253 CB AILE A 156 9.661 -35.745 20.578 0.71 8.62 C +ANISOU 1253 CB AILE A 156 1584 1166 525 -55 -219 -21 C +ATOM 1254 CB BILE A 156 9.619 -35.792 20.537 0.29 8.63 C +ANISOU 1254 CB BILE A 156 1549 1161 568 213 -174 30 C +ATOM 1255 CG1AILE A 156 10.426 -34.983 21.668 0.71 9.62 C +ANISOU 1255 CG1AILE A 156 1732 1349 573 -24 -196 -81 C +ATOM 1256 CG1BILE A 156 10.303 -35.013 21.665 0.29 9.44 C +ANISOU 1256 CG1BILE A 156 1714 1296 576 394 -174 -9 C +ATOM 1257 CG2AILE A 156 9.844 -37.247 20.756 0.71 9.69 C +ANISOU 1257 CG2AILE A 156 1808 1259 616 -16 -108 35 C +ATOM 1258 CG2BILE A 156 9.881 -37.285 20.678 0.29 9.32 C +ANISOU 1258 CG2BILE A 156 1687 1221 632 237 -140 67 C +ATOM 1259 CD1AILE A 156 9.696 -34.991 23.026 0.71 10.19 C +ANISOU 1259 CD1AILE A 156 1874 1389 610 90 -117 -28 C +ATOM 1260 CD1BILE A 156 11.762 -34.840 21.475 0.29 9.70 C +ANISOU 1260 CD1BILE A 156 1797 1311 577 548 -159 -8 C +ATOM 1261 N TYR A 157 10.102 -37.018 17.445 1.00 6.11 N +ANISOU 1261 N TYR A 157 865 971 484 -134 -160 -8 N +ATOM 1262 CA TYR A 157 9.609 -37.695 16.238 1.00 5.85 C +ANISOU 1262 CA TYR A 157 842 896 486 -122 -136 21 C +ATOM 1263 C TYR A 157 8.697 -38.885 16.541 1.00 6.37 C +ANISOU 1263 C TYR A 157 949 935 538 -54 -97 76 C +ATOM 1264 O TYR A 157 8.919 -40.004 16.089 1.00 6.74 O +ANISOU 1264 O TYR A 157 999 960 602 -78 -40 9 O +ATOM 1265 CB TYR A 157 10.784 -38.106 15.359 1.00 6.34 C +ANISOU 1265 CB TYR A 157 911 1019 478 -65 -86 -27 C +ATOM 1266 CG TYR A 157 10.446 -38.292 13.898 1.00 6.31 C +ANISOU 1266 CG TYR A 157 851 1054 493 -188 -64 32 C +ATOM 1267 CD1 TYR A 157 10.006 -37.233 13.135 1.00 6.65 C +ANISOU 1267 CD1 TYR A 157 932 1085 508 -100 -35 36 C +ATOM 1268 CD2 TYR A 157 10.595 -39.526 13.275 1.00 7.12 C +ANISOU 1268 CD2 TYR A 157 1013 1150 542 -132 -69 62 C +ATOM 1269 CE1 TYR A 157 9.746 -37.375 11.786 1.00 6.88 C +ANISOU 1269 CE1 TYR A 157 984 1137 494 -198 -135 -17 C +ATOM 1270 CE2 TYR A 157 10.336 -39.682 11.926 1.00 7.38 C +ANISOU 1270 CE2 TYR A 157 1032 1250 523 -6 -12 104 C +ATOM 1271 CZ TYR A 157 9.919 -38.597 11.189 1.00 6.91 C +ANISOU 1271 CZ TYR A 157 964 1204 458 -175 -65 37 C +ATOM 1272 OH TYR A 157 9.670 -38.797 9.854 1.00 7.44 O +ANISOU 1272 OH TYR A 157 1046 1291 491 -106 -77 15 O +ATOM 1273 N GLN A 158 7.606 -38.616 17.245 1.00 6.73 N +ANISOU 1273 N GLN A 158 916 1019 623 -48 -69 133 N +ATOM 1274 CA GLN A 158 6.596 -39.634 17.479 1.00 8.02 C +ANISOU 1274 CA GLN A 158 1003 1226 817 -252 12 305 C +ATOM 1275 C GLN A 158 5.292 -38.950 17.870 1.00 7.40 C +ANISOU 1275 C GLN A 158 960 1121 730 -161 28 157 C +ATOM 1276 O GLN A 158 5.280 -37.820 18.396 1.00 7.40 O +ANISOU 1276 O GLN A 158 988 1178 646 -174 -14 44 O +ATOM 1277 CB GLN A 158 7.025 -40.629 18.543 1.00 12.25 C +ANISOU 1277 CB GLN A 158 1512 1920 1221 24 46 407 C +ATOM 1278 CG GLN A 158 7.166 -40.070 19.873 1.00 15.49 C +ANISOU 1278 CG GLN A 158 2096 2315 1475 295 -32 269 C +ATOM 1279 CD GLN A 158 7.371 -41.159 20.915 1.00 19.13 C +ANISOU 1279 CD GLN A 158 2785 2862 1621 769 4 268 C +ATOM 1280 OE1 GLN A 158 7.497 -42.352 20.586 1.00 21.19 O +ANISOU 1280 OE1 GLN A 158 3321 2974 1755 868 -42 221 O +ATOM 1281 NE2 GLN A 158 7.414 -40.763 22.173 1.00 19.83 N +ANISOU 1281 NE2 GLN A 158 2928 3049 1555 830 100 458 N +ATOM 1282 N ASN A 159 4.189 -39.640 17.617 1.00 7.56 N +ANISOU 1282 N ASN A 159 991 1096 785 -93 29 84 N +ATOM 1283 CA ASN A 159 2.865 -39.192 18.042 1.00 7.82 C +ANISOU 1283 CA ASN A 159 1017 1232 722 -226 95 217 C +ATOM 1284 C ASN A 159 2.574 -37.777 17.543 1.00 7.26 C +ANISOU 1284 C ASN A 159 903 1206 651 -240 77 135 C +ATOM 1285 O ASN A 159 2.948 -37.444 16.418 1.00 7.23 O +ANISOU 1285 O ASN A 159 942 1164 643 -188 48 95 O +ATOM 1286 CB ASN A 159 2.708 -39.409 19.546 1.00 9.24 C +ANISOU 1286 CB ASN A 159 1371 1302 836 -139 170 304 C +ATOM 1287 CG ASN A 159 2.936 -40.859 19.914 1.00 11.80 C +ANISOU 1287 CG ASN A 159 1949 1512 1021 -64 44 260 C +ATOM 1288 OD1 ASN A 159 2.625 -41.751 19.134 1.00 12.18 O +ANISOU 1288 OD1 ASN A 159 1990 1544 1094 -207 15 262 O +ATOM 1289 ND2 ASN A 159 3.558 -41.097 21.054 1.00 14.64 N +ANISOU 1289 ND2 ASN A 159 2497 1879 1186 306 -74 247 N +ATOM 1290 N GLU A 160 1.859 -36.952 18.302 1.00 7.52 N +ANISOU 1290 N GLU A 160 979 1282 595 -103 78 108 N +ATOM 1291 CA GLU A 160 1.435 -35.667 17.748 1.00 7.71 C +ANISOU 1291 CA GLU A 160 978 1317 634 -41 39 65 C +ATOM 1292 C GLU A 160 2.600 -34.727 17.465 1.00 6.85 C +ANISOU 1292 C GLU A 160 912 1128 561 -118 -14 17 C +ATOM 1293 O GLU A 160 2.611 -34.069 16.427 1.00 6.96 O +ANISOU 1293 O GLU A 160 949 1199 495 -99 79 82 O +ATOM 1294 CB GLU A 160 0.374 -34.991 18.621 1.00 8.12 C +ANISOU 1294 CB GLU A 160 999 1303 783 -126 100 -26 C +ATOM 1295 CG GLU A 160 -0.961 -35.707 18.538 1.00 8.91 C +ANISOU 1295 CG GLU A 160 1191 1251 945 -178 189 23 C +ATOM 1296 CD GLU A 160 -2.120 -35.016 19.206 1.00 8.82 C +ANISOU 1296 CD GLU A 160 1167 1158 1027 -121 194 116 C +ATOM 1297 OE1 GLU A 160 -2.082 -33.802 19.464 1.00 8.65 O +ANISOU 1297 OE1 GLU A 160 1061 1277 948 -80 271 39 O +ATOM 1298 OE2 GLU A 160 -3.128 -35.727 19.437 1.00 9.58 O +ANISOU 1298 OE2 GLU A 160 1117 1257 1264 -201 289 100 O +ATOM 1299 N SER A 161 3.580 -34.635 18.355 1.00 7.08 N +ANISOU 1299 N SER A 161 981 1147 562 -96 11 -2 N +ATOM 1300 CA ASER A 161 4.723 -33.761 18.083 0.83 6.71 C +ANISOU 1300 CA ASER A 161 1016 1041 491 -48 -49 -22 C +ATOM 1301 CA BSER A 161 4.750 -33.801 18.109 0.17 6.88 C +ANISOU 1301 CA BSER A 161 1000 1088 528 -19 -19 -21 C +ATOM 1302 C SER A 161 5.417 -34.208 16.798 1.00 6.15 C +ANISOU 1302 C SER A 161 889 983 465 -129 -76 -10 C +ATOM 1303 O SER A 161 5.878 -33.373 16.024 1.00 6.47 O +ANISOU 1303 O SER A 161 933 996 531 -56 -45 -3 O +ATOM 1304 CB ASER A 161 5.714 -33.710 19.249 0.83 6.87 C +ANISOU 1304 CB ASER A 161 971 1108 530 -45 -85 -65 C +ATOM 1305 CB BSER A 161 5.748 -33.937 19.260 0.17 7.38 C +ANISOU 1305 CB BSER A 161 1089 1145 571 141 5 -48 C +ATOM 1306 OG ASER A 161 6.282 -34.971 19.521 0.83 6.71 O +ANISOU 1306 OG ASER A 161 973 1056 518 -43 -177 -51 O +ATOM 1307 OG BSER A 161 5.126 -33.683 20.509 0.17 7.74 O +ANISOU 1307 OG BSER A 161 1182 1163 594 266 4 -64 O +ATOM 1308 N GLY A 162 5.482 -35.517 16.554 1.00 5.84 N +ANISOU 1308 N GLY A 162 824 948 447 -71 -65 89 N +ATOM 1309 CA GLY A 162 6.126 -36.040 15.370 1.00 5.59 C +ANISOU 1309 CA GLY A 162 770 900 453 -32 -39 88 C +ATOM 1310 C GLY A 162 5.339 -35.772 14.105 1.00 5.45 C +ANISOU 1310 C GLY A 162 804 836 430 -56 26 111 C +ATOM 1311 O GLY A 162 5.921 -35.520 13.043 1.00 6.08 O +ANISOU 1311 O GLY A 162 902 895 513 -41 15 67 O +ATOM 1312 N ALA A 163 4.006 -35.818 14.205 1.00 5.48 N +ANISOU 1312 N ALA A 163 814 905 362 -85 8 68 N +ATOM 1313 CA ALA A 163 3.169 -35.445 13.076 1.00 5.64 C +ANISOU 1313 CA ALA A 163 840 960 343 -39 -5 -47 C +ATOM 1314 C ALA A 163 3.281 -33.955 12.773 1.00 5.76 C +ANISOU 1314 C ALA A 163 779 1034 376 -29 -89 -62 C +ATOM 1315 O ALA A 163 3.231 -33.565 11.605 1.00 5.83 O +ANISOU 1315 O ALA A 163 780 1098 336 -107 -144 8 O +ATOM 1316 CB ALA A 163 1.728 -35.845 13.331 1.00 6.09 C +ANISOU 1316 CB ALA A 163 929 939 446 -58 38 -17 C +ATOM 1317 N ILE A 164 3.451 -33.115 13.794 1.00 5.57 N +ANISOU 1317 N ILE A 164 764 951 402 -65 49 69 N +ATOM 1318 CA ILE A 164 3.724 -31.700 13.540 1.00 5.73 C +ANISOU 1318 CA ILE A 164 844 895 440 -57 -2 -28 C +ATOM 1319 C ILE A 164 5.081 -31.532 12.839 1.00 5.66 C +ANISOU 1319 C ILE A 164 823 892 435 -79 -189 20 C +ATOM 1320 O ILE A 164 5.209 -30.790 11.871 1.00 6.35 O +ANISOU 1320 O ILE A 164 963 1015 434 -42 -91 121 O +ATOM 1321 CB ILE A 164 3.678 -30.856 14.826 1.00 6.28 C +ANISOU 1321 CB ILE A 164 934 935 517 4 75 -130 C +ATOM 1322 CG1 ILE A 164 2.291 -30.912 15.477 1.00 6.92 C +ANISOU 1322 CG1 ILE A 164 1036 1038 553 52 123 -209 C +ATOM 1323 CG2 ILE A 164 4.068 -29.410 14.508 1.00 6.54 C +ANISOU 1323 CG2 ILE A 164 987 965 534 78 -50 -208 C +ATOM 1324 CD1 ILE A 164 2.277 -30.402 16.908 1.00 7.57 C +ANISOU 1324 CD1 ILE A 164 1095 1188 594 118 174 -109 C +ATOM 1325 N ASN A 165 6.079 -32.260 13.326 1.00 5.48 N +ANISOU 1325 N ASN A 165 724 933 425 -76 -177 6 N +ATOM 1326 CA ASN A 165 7.400 -32.270 12.721 1.00 5.22 C +ANISOU 1326 CA ASN A 165 672 891 422 -110 -114 -80 C +ATOM 1327 C ASN A 165 7.287 -32.576 11.222 1.00 4.90 C +ANISOU 1327 C ASN A 165 645 820 398 -136 -116 40 C +ATOM 1328 O ASN A 165 7.785 -31.836 10.368 1.00 5.52 O +ANISOU 1328 O ASN A 165 781 887 431 -39 -1 -7 O +ATOM 1329 CB ASN A 165 8.266 -33.282 13.485 1.00 5.67 C +ANISOU 1329 CB ASN A 165 761 976 419 -65 -31 33 C +ATOM 1330 CG ASN A 165 9.685 -33.354 12.982 1.00 5.91 C +ANISOU 1330 CG ASN A 165 761 1094 391 -78 -28 3 C +ATOM 1331 OD1 ASN A 165 9.927 -33.357 11.783 1.00 7.36 O +ANISOU 1331 OD1 ASN A 165 883 1483 430 -6 92 34 O +ATOM 1332 ND2 ASN A 165 10.627 -33.457 13.895 1.00 6.32 N +ANISOU 1332 ND2 ASN A 165 790 1167 444 -60 -16 15 N +ATOM 1333 N GLU A 166 6.587 -33.652 10.892 1.00 5.14 N +ANISOU 1333 N GLU A 166 717 892 345 -162 -57 69 N +ATOM 1334 CA GLU A 166 6.345 -34.028 9.510 1.00 5.19 C +ANISOU 1334 CA GLU A 166 610 1012 351 -133 -88 -10 C +ATOM 1335 C GLU A 166 5.605 -32.953 8.724 1.00 5.15 C +ANISOU 1335 C GLU A 166 529 1066 362 -94 -112 -77 C +ATOM 1336 O GLU A 166 6.019 -32.635 7.601 1.00 5.53 O +ANISOU 1336 O GLU A 166 670 1052 378 -55 -106 12 O +ATOM 1337 CB GLU A 166 5.586 -35.360 9.452 1.00 5.97 C +ANISOU 1337 CB GLU A 166 678 1105 484 -122 -92 -24 C +ATOM 1338 CG GLU A 166 6.499 -36.557 9.432 1.00 6.14 C +ANISOU 1338 CG GLU A 166 785 1039 510 -69 -77 20 C +ATOM 1339 CD GLU A 166 7.455 -36.473 8.276 1.00 5.93 C +ANISOU 1339 CD GLU A 166 773 936 543 -48 -154 -123 C +ATOM 1340 OE1 GLU A 166 6.996 -36.295 7.132 1.00 6.18 O +ANISOU 1340 OE1 GLU A 166 728 990 630 -101 -155 -47 O +ATOM 1341 OE2 GLU A 166 8.683 -36.551 8.505 1.00 6.21 O +ANISOU 1341 OE2 GLU A 166 840 975 546 -90 -134 5 O +ATOM 1342 N ALA A 167 4.530 -32.416 9.279 1.00 5.19 N +ANISOU 1342 N ALA A 167 679 902 392 -82 -53 44 N +ATOM 1343 CA ALA A 167 3.766 -31.411 8.556 1.00 5.45 C +ANISOU 1343 CA ALA A 167 724 944 402 24 -81 76 C +ATOM 1344 C ALA A 167 4.604 -30.161 8.299 1.00 5.55 C +ANISOU 1344 C ALA A 167 770 927 412 -12 -117 39 C +ATOM 1345 O ALA A 167 4.522 -29.569 7.242 1.00 6.32 O +ANISOU 1345 O ALA A 167 794 1143 466 -30 -57 119 O +ATOM 1346 CB ALA A 167 2.505 -31.052 9.310 1.00 6.22 C +ANISOU 1346 CB ALA A 167 803 1085 477 143 -31 87 C +ATOM 1347 N ILE A 168 5.421 -29.753 9.262 1.00 5.39 N +ANISOU 1347 N ILE A 168 760 888 400 -55 -78 5 N +ATOM 1348 CA ILE A 168 6.321 -28.608 9.075 1.00 5.46 C +ANISOU 1348 CA ILE A 168 732 950 393 -38 -16 -40 C +ATOM 1349 C ILE A 168 7.234 -28.859 7.864 1.00 4.94 C +ANISOU 1349 C ILE A 168 701 826 350 -105 -108 -2 C +ATOM 1350 O ILE A 168 7.415 -27.976 7.018 1.00 5.45 O +ANISOU 1350 O ILE A 168 783 944 344 -23 -116 63 O +ATOM 1351 CB ILE A 168 7.129 -28.353 10.358 1.00 6.32 C +ANISOU 1351 CB ILE A 168 828 1083 490 -142 79 -13 C +ATOM 1352 CG1 ILE A 168 6.234 -27.771 11.462 1.00 7.36 C +ANISOU 1352 CG1 ILE A 168 999 1194 603 -55 79 -72 C +ATOM 1353 CG2 ILE A 168 8.335 -27.452 10.085 1.00 6.39 C +ANISOU 1353 CG2 ILE A 168 841 1062 525 -137 86 -44 C +ATOM 1354 CD1 ILE A 168 5.798 -26.351 11.243 1.00 8.65 C +ANISOU 1354 CD1 ILE A 168 1035 1560 690 147 -72 -133 C +ATOM 1355 N SER A 169 7.772 -30.072 7.745 1.00 4.83 N +ANISOU 1355 N SER A 169 659 859 316 -43 -191 52 N +ATOM 1356 CA SER A 169 8.595 -30.408 6.589 1.00 5.04 C +ANISOU 1356 CA SER A 169 727 895 295 -9 -134 22 C +ATOM 1357 C SER A 169 7.808 -30.433 5.278 1.00 5.18 C +ANISOU 1357 C SER A 169 713 888 368 -38 -99 62 C +ATOM 1358 O SER A 169 8.323 -30.006 4.245 1.00 5.73 O +ANISOU 1358 O SER A 169 783 932 464 -107 -33 17 O +ATOM 1359 CB SER A 169 9.341 -31.729 6.789 1.00 5.19 C +ANISOU 1359 CB SER A 169 745 880 346 -146 -134 -27 C +ATOM 1360 OG SER A 169 10.505 -31.525 7.571 1.00 5.11 O +ANISOU 1360 OG SER A 169 765 846 332 78 -176 -22 O +ATOM 1361 N ASP A 170 6.549 -30.891 5.298 1.00 5.16 N +ANISOU 1361 N ASP A 170 625 1029 308 -150 -100 39 N +ATOM 1362 CA ASP A 170 5.722 -30.848 4.096 1.00 5.43 C +ANISOU 1362 CA ASP A 170 721 988 357 -58 -83 13 C +ATOM 1363 C ASP A 170 5.323 -29.418 3.720 1.00 5.57 C +ANISOU 1363 C ASP A 170 715 1009 394 -96 -71 84 C +ATOM 1364 O ASP A 170 5.321 -29.054 2.541 1.00 5.71 O +ANISOU 1364 O ASP A 170 768 980 423 -69 -176 101 O +ATOM 1365 CB ASP A 170 4.480 -31.704 4.263 1.00 5.70 C +ANISOU 1365 CB ASP A 170 748 983 435 -152 -92 -87 C +ATOM 1366 CG ASP A 170 4.756 -33.199 4.187 1.00 5.98 C +ANISOU 1366 CG ASP A 170 714 1055 503 -124 -61 -37 C +ATOM 1367 OD1 ASP A 170 5.848 -33.615 3.733 1.00 6.08 O +ANISOU 1367 OD1 ASP A 170 674 1104 533 -58 -71 -122 O +ATOM 1368 OD2 ASP A 170 3.828 -33.983 4.569 1.00 6.11 O +ANISOU 1368 OD2 ASP A 170 760 966 595 -75 -69 -12 O +ATOM 1369 N ILE A 171 4.991 -28.610 4.721 1.00 5.89 N +ANISOU 1369 N ILE A 171 821 986 430 -33 -90 85 N +ATOM 1370 CA ILE A 171 4.595 -27.218 4.514 1.00 5.90 C +ANISOU 1370 CA ILE A 171 810 1009 422 -69 -35 5 C +ATOM 1371 C ILE A 171 5.749 -26.447 3.889 1.00 5.84 C +ANISOU 1371 C ILE A 171 821 1003 397 49 -132 7 C +ATOM 1372 O ILE A 171 5.576 -25.813 2.850 1.00 6.02 O +ANISOU 1372 O ILE A 171 913 1007 366 103 -70 104 O +ATOM 1373 CB ILE A 171 4.149 -26.578 5.835 1.00 6.18 C +ANISOU 1373 CB ILE A 171 835 1111 402 90 -38 8 C +ATOM 1374 CG1 ILE A 171 2.820 -27.189 6.303 1.00 6.89 C +ANISOU 1374 CG1 ILE A 171 801 1327 491 33 30 -21 C +ATOM 1375 CG2 ILE A 171 4.036 -25.057 5.689 1.00 7.19 C +ANISOU 1375 CG2 ILE A 171 1015 1183 534 156 -37 -16 C +ATOM 1376 CD1 ILE A 171 2.525 -26.961 7.746 1.00 8.01 C +ANISOU 1376 CD1 ILE A 171 909 1515 618 121 185 -3 C +ATOM 1377 N PHE A 172 6.915 -26.482 4.519 1.00 5.54 N +ANISOU 1377 N PHE A 172 778 959 368 -12 -121 20 N +ATOM 1378 CA PHE A 172 8.047 -25.742 3.949 1.00 5.20 C +ANISOU 1378 CA PHE A 172 808 816 351 14 -131 -5 C +ATOM 1379 C PHE A 172 8.585 -26.374 2.672 1.00 5.35 C +ANISOU 1379 C PHE A 172 803 893 334 -13 -136 -42 C +ATOM 1380 O PHE A 172 9.056 -25.660 1.797 1.00 6.29 O +ANISOU 1380 O PHE A 172 899 1142 348 -51 -82 46 O +ATOM 1381 CB PHE A 172 9.113 -25.402 5.001 1.00 5.67 C +ANISOU 1381 CB PHE A 172 898 821 436 -24 -191 26 C +ATOM 1382 CG PHE A 172 8.614 -24.395 6.000 1.00 5.66 C +ANISOU 1382 CG PHE A 172 842 818 491 -161 -122 -41 C +ATOM 1383 CD1 PHE A 172 8.409 -23.086 5.606 1.00 6.06 C +ANISOU 1383 CD1 PHE A 172 925 822 557 -188 -95 26 C +ATOM 1384 CD2 PHE A 172 8.263 -24.756 7.287 1.00 6.68 C +ANISOU 1384 CD2 PHE A 172 1147 816 576 144 -13 -34 C +ATOM 1385 CE1 PHE A 172 7.907 -22.145 6.488 1.00 6.87 C +ANISOU 1385 CE1 PHE A 172 1192 818 602 -72 -87 -45 C +ATOM 1386 CE2 PHE A 172 7.759 -23.819 8.168 1.00 8.19 C +ANISOU 1386 CE2 PHE A 172 1474 989 647 274 -26 -53 C +ATOM 1387 CZ PHE A 172 7.570 -22.522 7.765 1.00 7.62 C +ANISOU 1387 CZ PHE A 172 1329 914 652 167 -59 -58 C +ATOM 1388 N GLY A 173 8.485 -27.685 2.537 1.00 5.33 N +ANISOU 1388 N GLY A 173 758 904 365 -105 -51 21 N +ATOM 1389 CA GLY A 173 8.834 -28.306 1.275 1.00 5.96 C +ANISOU 1389 CA GLY A 173 822 1057 385 12 -34 25 C +ATOM 1390 C GLY A 173 8.005 -27.724 0.148 1.00 5.75 C +ANISOU 1390 C GLY A 173 838 998 351 -27 -95 -7 C +ATOM 1391 O GLY A 173 8.517 -27.398 -0.921 1.00 6.38 O +ANISOU 1391 O GLY A 173 1027 996 402 11 -128 12 O +ATOM 1392 N THR A 174 6.705 -27.600 0.391 1.00 5.81 N +ANISOU 1392 N THR A 174 723 1114 371 -18 -190 -26 N +ATOM 1393 CA THR A 174 5.780 -27.028 -0.568 1.00 5.92 C +ANISOU 1393 CA THR A 174 733 1143 373 -8 -158 -117 C +ATOM 1394 C THR A 174 6.034 -25.540 -0.794 1.00 6.17 C +ANISOU 1394 C THR A 174 851 1139 353 -6 -166 -61 C +ATOM 1395 O THR A 174 5.997 -25.076 -1.924 1.00 6.37 O +ANISOU 1395 O THR A 174 950 1079 389 -2 -166 52 O +ATOM 1396 CB THR A 174 4.358 -27.325 -0.110 1.00 6.68 C +ANISOU 1396 CB THR A 174 788 1206 543 -9 -175 -92 C +ATOM 1397 OG1 THR A 174 4.114 -28.730 -0.282 1.00 6.87 O +ANISOU 1397 OG1 THR A 174 774 1162 674 -144 -71 -107 O +ATOM 1398 CG2 THR A 174 3.329 -26.545 -0.904 1.00 7.03 C +ANISOU 1398 CG2 THR A 174 799 1262 609 71 -196 -162 C +ATOM 1399 N LEU A 175 6.296 -24.784 0.264 1.00 6.03 N +ANISOU 1399 N LEU A 175 899 971 422 -63 -119 29 N +ATOM 1400 CA LEU A 175 6.557 -23.366 0.079 1.00 6.60 C +ANISOU 1400 CA LEU A 175 1003 1022 481 91 -121 9 C +ATOM 1401 C LEU A 175 7.850 -23.135 -0.712 1.00 6.27 C +ANISOU 1401 C LEU A 175 960 914 506 50 -210 14 C +ATOM 1402 O LEU A 175 7.922 -22.197 -1.498 1.00 6.85 O +ANISOU 1402 O LEU A 175 1125 882 595 60 -86 74 O +ATOM 1403 CB LEU A 175 6.551 -22.618 1.414 1.00 6.37 C +ANISOU 1403 CB LEU A 175 969 956 496 12 -59 40 C +ATOM 1404 CG LEU A 175 5.187 -22.585 2.120 1.00 6.82 C +ANISOU 1404 CG LEU A 175 972 1051 567 31 11 59 C +ATOM 1405 CD1 LEU A 175 5.256 -21.925 3.468 1.00 7.82 C +ANISOU 1405 CD1 LEU A 175 1067 1224 679 125 149 -65 C +ATOM 1406 CD2 LEU A 175 4.136 -21.899 1.250 1.00 8.74 C +ANISOU 1406 CD2 LEU A 175 1126 1501 696 200 16 -77 C +ATOM 1407 N VAL A 176 8.857 -23.994 -0.528 1.00 6.36 N +ANISOU 1407 N VAL A 176 956 939 521 93 -126 83 N +ATOM 1408 CA VAL A 176 10.073 -23.898 -1.337 1.00 6.29 C +ANISOU 1408 CA VAL A 176 880 967 542 23 -148 54 C +ATOM 1409 C VAL A 176 9.757 -24.257 -2.790 1.00 6.25 C +ANISOU 1409 C VAL A 176 894 983 498 39 -143 172 C +ATOM 1410 O VAL A 176 10.239 -23.591 -3.715 1.00 6.62 O +ANISOU 1410 O VAL A 176 934 1112 470 -13 -36 237 O +ATOM 1411 CB VAL A 176 11.196 -24.767 -0.765 1.00 6.49 C +ANISOU 1411 CB VAL A 176 945 972 549 -67 -78 28 C +ATOM 1412 CG1 VAL A 176 12.365 -24.828 -1.725 1.00 7.30 C +ANISOU 1412 CG1 VAL A 176 1052 1108 615 53 -40 194 C +ATOM 1413 CG2 VAL A 176 11.641 -24.218 0.577 1.00 6.44 C +ANISOU 1413 CG2 VAL A 176 923 1005 517 -89 -90 -20 C +ATOM 1414 N GLU A 177 8.920 -25.270 -3.003 1.00 5.95 N +ANISOU 1414 N GLU A 177 886 997 377 -74 -122 143 N +ATOM 1415 CA GLU A 177 8.507 -25.609 -4.364 1.00 6.61 C +ANISOU 1415 CA GLU A 177 924 1186 402 -23 -236 68 C +ATOM 1416 C GLU A 177 7.811 -24.412 -5.035 1.00 7.11 C +ANISOU 1416 C GLU A 177 1064 1182 456 87 -146 134 C +ATOM 1417 O GLU A 177 8.089 -24.122 -6.188 1.00 7.86 O +ANISOU 1417 O GLU A 177 1186 1338 461 67 -94 152 O +ATOM 1418 CB GLU A 177 7.636 -26.867 -4.371 1.00 6.78 C +ANISOU 1418 CB GLU A 177 952 1229 393 14 -203 91 C +ATOM 1419 CG GLU A 177 7.193 -27.324 -5.750 1.00 7.47 C +ANISOU 1419 CG GLU A 177 994 1377 466 91 -260 -12 C +ATOM 1420 CD GLU A 177 6.464 -28.652 -5.713 1.00 7.01 C +ANISOU 1420 CD GLU A 177 952 1246 467 -55 -278 15 C +ATOM 1421 OE1 GLU A 177 6.983 -29.616 -5.114 1.00 7.07 O +ANISOU 1421 OE1 GLU A 177 956 1246 486 17 -253 46 O +ATOM 1422 OE2 GLU A 177 5.356 -28.764 -6.290 1.00 7.88 O +ANISOU 1422 OE2 GLU A 177 998 1392 606 38 -340 -33 O +ATOM 1423 N PHE A 178 6.940 -23.716 -4.315 1.00 7.50 N +ANISOU 1423 N PHE A 178 1126 1173 549 163 -61 171 N +ATOM 1424 CA PHE A 178 6.324 -22.520 -4.877 1.00 7.92 C +ANISOU 1424 CA PHE A 178 1150 1277 581 121 -110 186 C +ATOM 1425 C PHE A 178 7.355 -21.412 -5.095 1.00 8.39 C +ANISOU 1425 C PHE A 178 1230 1348 609 55 -63 303 C +ATOM 1426 O PHE A 178 7.281 -20.688 -6.063 1.00 9.30 O +ANISOU 1426 O PHE A 178 1485 1380 668 95 -135 389 O +ATOM 1427 CB PHE A 178 5.162 -22.024 -4.007 1.00 8.76 C +ANISOU 1427 CB PHE A 178 1256 1396 678 183 -92 124 C +ATOM 1428 CG PHE A 178 3.842 -22.673 -4.330 1.00 8.70 C +ANISOU 1428 CG PHE A 178 1214 1379 712 273 -142 34 C +ATOM 1429 CD1 PHE A 178 3.042 -22.157 -5.329 1.00 9.26 C +ANISOU 1429 CD1 PHE A 178 1312 1512 695 372 -122 129 C +ATOM 1430 CD2 PHE A 178 3.404 -23.791 -3.638 1.00 8.88 C +ANISOU 1430 CD2 PHE A 178 1214 1377 781 168 -77 98 C +ATOM 1431 CE1 PHE A 178 1.824 -22.748 -5.644 1.00 9.97 C +ANISOU 1431 CE1 PHE A 178 1368 1621 797 361 -166 121 C +ATOM 1432 CE2 PHE A 178 2.183 -24.381 -3.949 1.00 9.07 C +ANISOU 1432 CE2 PHE A 178 1304 1371 771 221 -111 93 C +ATOM 1433 CZ PHE A 178 1.389 -23.853 -4.953 1.00 9.52 C +ANISOU 1433 CZ PHE A 178 1316 1479 823 357 -158 77 C +ATOM 1434 N TYR A 179 8.319 -21.275 -4.191 1.00 8.54 N +ANISOU 1434 N TYR A 179 1327 1235 683 -28 -153 185 N +ATOM 1435 CA TYR A 179 9.370 -20.266 -4.321 1.00 9.01 C +ANISOU 1435 CA TYR A 179 1428 1237 758 -73 -219 172 C +ATOM 1436 C TYR A 179 10.158 -20.452 -5.615 1.00 9.51 C +ANISOU 1436 C TYR A 179 1549 1277 786 -66 -102 258 C +ATOM 1437 O TYR A 179 10.425 -19.486 -6.324 1.00 10.21 O +ANISOU 1437 O TYR A 179 1735 1338 806 -27 -22 416 O +ATOM 1438 CB TYR A 179 10.278 -20.343 -3.098 1.00 9.42 C +ANISOU 1438 CB TYR A 179 1528 1191 861 -154 -293 197 C +ATOM 1439 CG TYR A 179 11.462 -19.410 -3.084 1.00 10.74 C +ANISOU 1439 CG TYR A 179 1605 1421 1053 -295 -214 339 C +ATOM 1440 CD1 TYR A 179 11.331 -18.063 -2.785 1.00 12.35 C +ANISOU 1440 CD1 TYR A 179 1929 1583 1182 -396 -163 367 C +ATOM 1441 CD2 TYR A 179 12.724 -19.906 -3.344 1.00 12.45 C +ANISOU 1441 CD2 TYR A 179 1704 1821 1208 -424 -229 479 C +ATOM 1442 CE1 TYR A 179 12.452 -17.251 -2.753 1.00 13.15 C +ANISOU 1442 CE1 TYR A 179 2081 1660 1256 -652 -197 371 C +ATOM 1443 CE2 TYR A 179 13.810 -19.122 -3.324 1.00 14.61 C +ANISOU 1443 CE2 TYR A 179 1915 2288 1349 -559 -269 444 C +ATOM 1444 CZ TYR A 179 13.694 -17.805 -3.034 1.00 14.30 C +ANISOU 1444 CZ TYR A 179 2036 2012 1385 -944 -368 320 C +ATOM 1445 OH TYR A 179 14.847 -17.044 -3.055 1.00 17.39 O +ANISOU 1445 OH TYR A 179 2398 2572 1637 -912 -373 388 O +ATOM 1446 N ALA A 180 10.498 -21.693 -5.949 1.00 9.64 N +ANISOU 1446 N ALA A 180 1398 1500 766 -123 9 189 N +ATOM 1447 CA ALA A 180 11.226 -21.981 -7.181 1.00 10.04 C +ANISOU 1447 CA ALA A 180 1403 1732 681 -140 3 196 C +ATOM 1448 C ALA A 180 10.308 -21.827 -8.395 1.00 11.61 C +ANISOU 1448 C ALA A 180 1651 2040 721 -156 -76 224 C +ATOM 1449 O ALA A 180 10.761 -21.558 -9.507 1.00 13.41 O +ANISOU 1449 O ALA A 180 1918 2404 771 -170 50 210 O +ATOM 1450 CB ALA A 180 11.800 -23.390 -7.126 1.00 11.02 C +ANISOU 1450 CB ALA A 180 1407 2098 682 204 -88 46 C +ATOM 1451 N ASN A 181 9.017 -22.048 -8.179 1.00 11.54 N +ANISOU 1451 N ASN A 181 1602 2000 784 -129 -360 256 N +ATOM 1452 CA ASN A 181 7.968 -21.784 -9.174 1.00 13.58 C +ANISOU 1452 CA ASN A 181 1924 2194 1043 50 -477 372 C +ATOM 1453 C ASN A 181 8.030 -22.600 -10.460 1.00 14.88 C +ANISOU 1453 C ASN A 181 2081 2522 1050 90 -467 288 C +ATOM 1454 O ASN A 181 7.700 -22.104 -11.539 1.00 17.77 O +ANISOU 1454 O ASN A 181 2602 3000 1150 365 -475 299 O +ATOM 1455 CB ASN A 181 7.887 -20.293 -9.493 1.00 15.96 C +ANISOU 1455 CB ASN A 181 2253 2369 1441 189 -472 450 C +ATOM 1456 CG ASN A 181 6.553 -19.909 -10.110 1.00 18.25 C +ANISOU 1456 CG ASN A 181 2517 2601 1814 274 -438 581 C +ATOM 1457 OD1 ASN A 181 5.513 -20.535 -9.845 1.00 18.64 O +ANISOU 1457 OD1 ASN A 181 2444 2657 1981 227 -430 506 O +ATOM 1458 ND2 ASN A 181 6.574 -18.885 -10.939 1.00 20.27 N +ANISOU 1458 ND2 ASN A 181 2823 2912 1969 581 -529 650 N +ATOM 1459 N LYS A 182 8.411 -23.862 -10.318 1.00 14.50 N +ANISOU 1459 N LYS A 182 1968 2491 1049 -2 -319 17 N +ATOM 1460 CA ALYS A 182 8.332 -24.832 -11.406 0.55 15.36 C +ANISOU 1460 CA ALYS A 182 2089 2655 1093 181 -227 -48 C +ATOM 1461 CA BLYS A 182 8.329 -24.833 -11.407 0.45 15.47 C +ANISOU 1461 CA BLYS A 182 2107 2662 1107 209 -234 -42 C +ATOM 1462 C LYS A 182 7.318 -25.929 -11.052 1.00 13.92 C +ANISOU 1462 C LYS A 182 1851 2426 1013 66 -191 -48 C +ATOM 1463 O LYS A 182 7.524 -26.724 -10.116 1.00 13.43 O +ANISOU 1463 O LYS A 182 1558 2448 1096 50 -185 -111 O +ATOM 1464 CB ALYS A 182 9.705 -25.445 -11.668 0.55 18.03 C +ANISOU 1464 CB ALYS A 182 2491 3111 1247 506 -172 -85 C +ATOM 1465 CB BLYS A 182 9.701 -25.447 -11.681 0.45 18.26 C +ANISOU 1465 CB BLYS A 182 2534 3122 1281 585 -193 -75 C +ATOM 1466 CG ALYS A 182 10.762 -24.449 -12.126 0.55 20.70 C +ANISOU 1466 CG ALYS A 182 2873 3591 1402 916 -135 -83 C +ATOM 1467 CG BLYS A 182 9.673 -26.690 -12.562 0.45 21.02 C +ANISOU 1467 CG BLYS A 182 2933 3602 1450 1024 -169 -82 C +ATOM 1468 CD ALYS A 182 12.095 -25.153 -12.334 0.55 23.21 C +ANISOU 1468 CD ALYS A 182 3245 4029 1544 1319 -100 -76 C +ATOM 1469 CD BLYS A 182 9.225 -26.391 -13.974 0.45 23.39 C +ANISOU 1469 CD BLYS A 182 3268 4015 1602 1396 -158 -78 C +ATOM 1470 CE ALYS A 182 13.079 -24.312 -13.128 0.55 25.27 C +ANISOU 1470 CE ALYS A 182 3585 4364 1653 1631 -121 -86 C +ATOM 1471 CE BLYS A 182 10.087 -27.131 -14.982 0.45 25.03 C +ANISOU 1471 CE BLYS A 182 3484 4330 1695 1690 -140 -75 C +ATOM 1472 NZ ALYS A 182 13.531 -23.115 -12.379 0.55 26.53 N +ANISOU 1472 NZ ALYS A 182 3791 4572 1719 1801 -129 -108 N +ATOM 1473 NZ BLYS A 182 10.405 -28.526 -14.565 0.45 26.04 N +ANISOU 1473 NZ BLYS A 182 3627 4510 1758 1848 -94 -83 N +ATOM 1474 N ASN A 183 6.231 -25.968 -11.799 1.00 13.15 N +ANISOU 1474 N ASN A 183 1804 2329 862 56 -74 -15 N +ATOM 1475 CA ASN A 183 5.131 -26.889 -11.562 1.00 12.62 C +ANISOU 1475 CA ASN A 183 1751 2168 878 56 -155 38 C +ATOM 1476 C ASN A 183 4.741 -27.003 -10.084 1.00 10.76 C +ANISOU 1476 C ASN A 183 1520 1811 756 67 -292 57 C +ATOM 1477 O ASN A 183 4.652 -28.114 -9.564 1.00 10.18 O +ANISOU 1477 O ASN A 183 1358 1698 813 116 -375 7 O +ATOM 1478 CB ASN A 183 5.494 -28.277 -12.080 1.00 15.04 C +ANISOU 1478 CB ASN A 183 2168 2518 1029 253 -186 -118 C +ATOM 1479 CG ASN A 183 5.725 -28.301 -13.563 1.00 18.18 C +ANISOU 1479 CG ASN A 183 2687 3004 1218 637 -179 -94 C +ATOM 1480 OD1 ASN A 183 4.994 -27.680 -14.323 1.00 19.25 O +ANISOU 1480 OD1 ASN A 183 2917 3201 1198 743 -248 -68 O +ATOM 1481 ND2 ASN A 183 6.745 -29.025 -13.986 1.00 19.75 N +ANISOU 1481 ND2 ASN A 183 2910 3265 1330 788 -66 -29 N +ATOM 1482 N PRO A 184 4.534 -25.871 -9.385 1.00 9.93 N +ANISOU 1482 N PRO A 184 1341 1735 696 175 -231 208 N +ATOM 1483 CA PRO A 184 4.243 -25.992 -7.952 1.00 9.46 C +ANISOU 1483 CA PRO A 184 1208 1685 702 183 -141 224 C +ATOM 1484 C PRO A 184 2.833 -26.499 -7.692 1.00 9.50 C +ANISOU 1484 C PRO A 184 1126 1778 705 266 -253 155 C +ATOM 1485 O PRO A 184 1.902 -26.268 -8.474 1.00 10.52 O +ANISOU 1485 O PRO A 184 1149 2044 805 184 -330 263 O +ATOM 1486 CB PRO A 184 4.389 -24.557 -7.447 1.00 9.75 C +ANISOU 1486 CB PRO A 184 1290 1632 784 106 -121 247 C +ATOM 1487 CG PRO A 184 3.959 -23.739 -8.622 1.00 10.77 C +ANISOU 1487 CG PRO A 184 1479 1769 845 239 -83 244 C +ATOM 1488 CD PRO A 184 4.500 -24.471 -9.831 1.00 10.99 C +ANISOU 1488 CD PRO A 184 1524 1854 798 348 -122 200 C +ATOM 1489 N ASP A 185 2.679 -27.193 -6.580 1.00 8.46 N +ANISOU 1489 N ASP A 185 1035 1537 641 158 -314 61 N +ATOM 1490 CA ASP A 185 1.414 -27.767 -6.169 1.00 8.34 C +ANISOU 1490 CA ASP A 185 981 1577 610 162 -288 -59 C +ATOM 1491 C ASP A 185 1.453 -27.997 -4.664 1.00 7.71 C +ANISOU 1491 C ASP A 185 892 1461 576 162 -302 -57 C +ATOM 1492 O ASP A 185 2.460 -27.719 -4.004 1.00 7.58 O +ANISOU 1492 O ASP A 185 968 1394 519 112 -284 -77 O +ATOM 1493 CB ASP A 185 1.180 -29.075 -6.926 1.00 8.14 C +ANISOU 1493 CB ASP A 185 996 1506 590 134 -240 -45 C +ATOM 1494 CG ASP A 185 2.362 -30.000 -6.828 1.00 7.99 C +ANISOU 1494 CG ASP A 185 996 1445 595 41 -176 -70 C +ATOM 1495 OD1 ASP A 185 2.769 -30.283 -5.684 1.00 7.35 O +ANISOU 1495 OD1 ASP A 185 848 1373 573 -16 -177 -41 O +ATOM 1496 OD2 ASP A 185 2.933 -30.360 -7.885 1.00 9.26 O +ANISOU 1496 OD2 ASP A 185 1270 1618 629 182 -300 -154 O +ATOM 1497 N TRP A 186 0.336 -28.465 -4.123 1.00 8.11 N +ANISOU 1497 N TRP A 186 976 1503 604 79 -175 -10 N +ATOM 1498 CA TRP A 186 0.206 -28.815 -2.721 1.00 8.03 C +ANISOU 1498 CA TRP A 186 897 1504 650 -43 -133 -69 C +ATOM 1499 C TRP A 186 0.259 -30.334 -2.519 1.00 8.20 C +ANISOU 1499 C TRP A 186 947 1541 628 -58 -108 -48 C +ATOM 1500 O TRP A 186 -0.292 -30.861 -1.560 1.00 9.35 O +ANISOU 1500 O TRP A 186 1324 1553 675 14 19 -10 O +ATOM 1501 CB TRP A 186 -1.093 -28.220 -2.162 1.00 8.63 C +ANISOU 1501 CB TRP A 186 1064 1439 776 6 -43 -94 C +ATOM 1502 CG TRP A 186 -1.076 -26.732 -2.129 1.00 9.01 C +ANISOU 1502 CG TRP A 186 1133 1409 884 115 -66 -212 C +ATOM 1503 CD1 TRP A 186 -1.433 -25.875 -3.143 1.00 9.67 C +ANISOU 1503 CD1 TRP A 186 1300 1451 925 238 -37 -271 C +ATOM 1504 CD2 TRP A 186 -0.679 -25.913 -1.032 1.00 9.45 C +ANISOU 1504 CD2 TRP A 186 1018 1611 962 -31 -29 -261 C +ATOM 1505 NE1 TRP A 186 -1.259 -24.571 -2.731 1.00 10.26 N +ANISOU 1505 NE1 TRP A 186 1386 1510 1001 264 -40 -242 N +ATOM 1506 CE2 TRP A 186 -0.803 -24.568 -1.441 1.00 9.92 C +ANISOU 1506 CE2 TRP A 186 1136 1623 1010 88 -69 -276 C +ATOM 1507 CE3 TRP A 186 -0.235 -26.184 0.262 1.00 9.77 C +ANISOU 1507 CE3 TRP A 186 855 1873 984 55 -78 -337 C +ATOM 1508 CZ2 TRP A 186 -0.511 -23.496 -0.594 1.00 11.07 C +ANISOU 1508 CZ2 TRP A 186 1248 1852 1105 192 -70 -277 C +ATOM 1509 CZ3 TRP A 186 0.058 -25.122 1.095 1.00 10.42 C +ANISOU 1509 CZ3 TRP A 186 966 1966 1026 159 -108 -383 C +ATOM 1510 CH2 TRP A 186 -0.071 -23.794 0.660 1.00 11.12 C +ANISOU 1510 CH2 TRP A 186 1194 1912 1118 134 -98 -368 C +ATOM 1511 N GLU A 187 0.939 -31.017 -3.430 1.00 7.78 N +ANISOU 1511 N GLU A 187 883 1512 562 106 -210 -87 N +ATOM 1512 CA GLU A 187 1.200 -32.455 -3.328 1.00 8.04 C +ANISOU 1512 CA GLU A 187 931 1443 681 -45 -285 -112 C +ATOM 1513 C GLU A 187 2.639 -32.660 -2.893 1.00 7.52 C +ANISOU 1513 C GLU A 187 938 1283 635 -46 -309 -21 C +ATOM 1514 O GLU A 187 3.473 -31.787 -3.108 1.00 7.10 O +ANISOU 1514 O GLU A 187 880 1224 594 -56 -273 -1 O +ATOM 1515 CB GLU A 187 0.980 -33.140 -4.687 1.00 9.48 C +ANISOU 1515 CB GLU A 187 1055 1685 861 -163 -425 -241 C +ATOM 1516 CG GLU A 187 -0.380 -32.898 -5.294 1.00 11.72 C +ANISOU 1516 CG GLU A 187 1334 2002 1117 -210 -405 -299 C +ATOM 1517 CD GLU A 187 -1.460 -33.586 -4.493 1.00 14.04 C +ANISOU 1517 CD GLU A 187 1697 2246 1392 -77 -357 -205 C +ATOM 1518 OE1 GLU A 187 -1.534 -34.844 -4.489 1.00 16.39 O +ANISOU 1518 OE1 GLU A 187 2103 2396 1729 32 -138 -28 O +ATOM 1519 OE2 GLU A 187 -2.206 -32.891 -3.818 1.00 14.71 O +ANISOU 1519 OE2 GLU A 187 1639 2575 1374 -17 -379 -168 O +ATOM 1520 N ILE A 188 2.936 -33.819 -2.309 1.00 6.68 N +ANISOU 1520 N ILE A 188 881 1099 558 -190 -298 -18 N +ATOM 1521 CA ILE A 188 4.286 -34.108 -1.832 1.00 6.79 C +ANISOU 1521 CA ILE A 188 856 1169 554 -144 -268 -44 C +ATOM 1522 C ILE A 188 4.907 -35.252 -2.623 1.00 7.20 C +ANISOU 1522 C ILE A 188 964 1167 605 -108 -264 -113 C +ATOM 1523 O ILE A 188 4.381 -36.370 -2.660 1.00 7.67 O +ANISOU 1523 O ILE A 188 995 1151 770 -207 -254 -7 O +ATOM 1524 CB ILE A 188 4.298 -34.504 -0.345 1.00 7.37 C +ANISOU 1524 CB ILE A 188 928 1298 573 -135 -206 64 C +ATOM 1525 CG1 ILE A 188 3.638 -33.419 0.514 1.00 8.23 C +ANISOU 1525 CG1 ILE A 188 1145 1364 618 -28 -194 58 C +ATOM 1526 CG2 ILE A 188 5.710 -34.817 0.114 1.00 8.07 C +ANISOU 1526 CG2 ILE A 188 967 1518 580 -136 -252 103 C +ATOM 1527 CD1 ILE A 188 4.298 -32.080 0.484 1.00 9.41 C +ANISOU 1527 CD1 ILE A 188 1456 1443 675 -10 -135 2 C +ATOM 1528 N GLY A 189 6.033 -34.970 -3.267 1.00 6.97 N +ANISOU 1528 N GLY A 189 949 1120 578 -112 -178 -63 N +ATOM 1529 CA GLY A 189 6.859 -36.000 -3.886 1.00 7.57 C +ANISOU 1529 CA GLY A 189 945 1233 698 -43 -177 -119 C +ATOM 1530 C GLY A 189 6.455 -36.435 -5.284 1.00 7.79 C +ANISOU 1530 C GLY A 189 1038 1214 710 54 -284 -129 C +ATOM 1531 O GLY A 189 7.033 -37.386 -5.831 1.00 8.23 O +ANISOU 1531 O GLY A 189 1184 1206 736 113 -189 -78 O +ATOM 1532 N GLU A 190 5.496 -35.726 -5.872 1.00 7.92 N +ANISOU 1532 N GLU A 190 1080 1238 692 -32 -346 -175 N +ATOM 1533 CA GLU A 190 4.961 -36.093 -7.177 1.00 8.37 C +ANISOU 1533 CA GLU A 190 1169 1331 679 6 -364 -156 C +ATOM 1534 C GLU A 190 6.008 -36.225 -8.282 1.00 8.82 C +ANISOU 1534 C GLU A 190 1282 1367 703 69 -338 -170 C +ATOM 1535 O GLU A 190 5.822 -37.017 -9.204 1.00 9.43 O +ANISOU 1535 O GLU A 190 1477 1340 768 -40 -324 -286 O +ATOM 1536 CB GLU A 190 3.855 -35.106 -7.591 1.00 8.72 C +ANISOU 1536 CB GLU A 190 1165 1436 712 62 -446 -122 C +ATOM 1537 CG GLU A 190 4.360 -33.712 -7.950 1.00 8.69 C +ANISOU 1537 CG GLU A 190 1093 1489 718 122 -450 -146 C +ATOM 1538 CD GLU A 190 4.759 -32.851 -6.755 1.00 7.53 C +ANISOU 1538 CD GLU A 190 961 1270 631 -91 -334 -127 C +ATOM 1539 OE1 GLU A 190 4.380 -33.161 -5.608 1.00 7.46 O +ANISOU 1539 OE1 GLU A 190 975 1269 590 68 -253 -122 O +ATOM 1540 OE2 GLU A 190 5.433 -31.822 -6.984 1.00 7.94 O +ANISOU 1540 OE2 GLU A 190 1045 1367 603 -21 -303 -144 O +ATOM 1541 N ASP A 191 7.109 -35.485 -8.209 1.00 7.97 N +ANISOU 1541 N ASP A 191 1176 1251 600 2 -339 -128 N +ATOM 1542 CA ASP A 191 8.091 -35.514 -9.289 1.00 8.00 C +ANISOU 1542 CA ASP A 191 1173 1257 611 -104 -304 -70 C +ATOM 1543 C ASP A 191 8.939 -36.776 -9.281 1.00 8.57 C +ANISOU 1543 C ASP A 191 1371 1247 640 89 -171 -17 C +ATOM 1544 O ASP A 191 9.556 -37.092 -10.293 1.00 10.98 O +ANISOU 1544 O ASP A 191 1777 1640 753 405 -7 25 O +ATOM 1545 CB ASP A 191 9.020 -34.295 -9.236 1.00 8.73 C +ANISOU 1545 CB ASP A 191 1232 1378 709 -7 -273 -20 C +ATOM 1546 CG ASP A 191 8.336 -33.010 -9.631 1.00 9.85 C +ANISOU 1546 CG ASP A 191 1407 1349 988 -80 -298 -67 C +ATOM 1547 OD1 ASP A 191 7.335 -33.062 -10.354 1.00 11.75 O +ANISOU 1547 OD1 ASP A 191 1696 1682 1086 252 -417 -72 O +ATOM 1548 OD2 ASP A 191 8.832 -31.941 -9.252 1.00 11.24 O +ANISOU 1548 OD2 ASP A 191 1453 1506 1310 16 -271 -165 O +ATOM 1549 N VAL A 192 8.993 -37.487 -8.152 1.00 7.73 N +ANISOU 1549 N VAL A 192 1157 1102 678 74 -250 -65 N +ATOM 1550 CA VAL A 192 9.856 -38.660 -8.044 1.00 7.80 C +ANISOU 1550 CA VAL A 192 1070 1082 811 -22 -185 -82 C +ATOM 1551 C VAL A 192 9.107 -39.927 -7.650 1.00 8.12 C +ANISOU 1551 C VAL A 192 1065 1104 916 -35 -134 -43 C +ATOM 1552 O VAL A 192 9.709 -40.990 -7.580 1.00 8.55 O +ANISOU 1552 O VAL A 192 1214 1053 981 -15 25 -10 O +ATOM 1553 CB VAL A 192 11.012 -38.419 -7.066 1.00 8.20 C +ANISOU 1553 CB VAL A 192 1092 1168 857 -23 -308 -135 C +ATOM 1554 CG1 VAL A 192 11.963 -37.368 -7.640 1.00 9.04 C +ANISOU 1554 CG1 VAL A 192 1194 1302 938 94 -311 -157 C +ATOM 1555 CG2 VAL A 192 10.494 -37.993 -5.684 1.00 8.57 C +ANISOU 1555 CG2 VAL A 192 1109 1294 852 53 -493 -229 C +ATOM 1556 N TYR A 193 7.804 -39.827 -7.408 1.00 8.59 N +ANISOU 1556 N TYR A 193 1098 1142 1025 -88 -296 -171 N +ATOM 1557 CA TYR A 193 6.996 -40.959 -6.970 1.00 8.96 C +ANISOU 1557 CA TYR A 193 1033 1250 1123 7 -318 -230 C +ATOM 1558 C TYR A 193 6.380 -41.677 -8.167 1.00 9.63 C +ANISOU 1558 C TYR A 193 1112 1400 1145 7 -354 -270 C +ATOM 1559 O TYR A 193 5.875 -41.030 -9.080 1.00 10.03 O +ANISOU 1559 O TYR A 193 1220 1415 1178 -24 -464 -274 O +ATOM 1560 CB TYR A 193 5.887 -40.441 -6.067 1.00 9.37 C +ANISOU 1560 CB TYR A 193 1102 1292 1165 -58 -302 -325 C +ATOM 1561 CG TYR A 193 5.072 -41.481 -5.356 1.00 9.61 C +ANISOU 1561 CG TYR A 193 1095 1363 1195 -159 -239 -324 C +ATOM 1562 CD1 TYR A 193 5.639 -42.300 -4.390 1.00 10.01 C +ANISOU 1562 CD1 TYR A 193 1199 1373 1229 -143 -156 -287 C +ATOM 1563 CD2 TYR A 193 3.708 -41.606 -5.606 1.00 10.76 C +ANISOU 1563 CD2 TYR A 193 1171 1631 1284 -83 -198 -262 C +ATOM 1564 CE1 TYR A 193 4.877 -43.220 -3.694 1.00 11.66 C +ANISOU 1564 CE1 TYR A 193 1409 1672 1347 -93 16 -103 C +ATOM 1565 CE2 TYR A 193 2.951 -42.514 -4.932 1.00 11.89 C +ANISOU 1565 CE2 TYR A 193 1304 1782 1429 -130 -115 -222 C +ATOM 1566 CZ TYR A 193 3.536 -43.329 -3.990 1.00 12.54 C +ANISOU 1566 CZ TYR A 193 1491 1780 1495 -258 47 20 C +ATOM 1567 OH TYR A 193 2.751 -44.246 -3.319 1.00 15.44 O +ANISOU 1567 OH TYR A 193 1819 2340 1710 -256 255 178 O +ATOM 1568 N THR A 194 6.447 -43.009 -8.142 1.00 9.49 N +ANISOU 1568 N THR A 194 1151 1327 1126 -49 -420 -301 N +ATOM 1569 CA THR A 194 5.782 -43.902 -9.099 1.00 9.79 C +ANISOU 1569 CA THR A 194 1201 1265 1255 -92 -473 -393 C +ATOM 1570 C THR A 194 5.877 -43.425 -10.540 1.00 10.67 C +ANISOU 1570 C THR A 194 1303 1426 1326 -35 -432 -515 C +ATOM 1571 O THR A 194 4.909 -42.923 -11.117 1.00 11.36 O +ANISOU 1571 O THR A 194 1403 1634 1278 84 -491 -613 O +ATOM 1572 CB THR A 194 4.305 -44.135 -8.721 1.00 10.36 C +ANISOU 1572 CB THR A 194 1250 1364 1322 -107 -439 -314 C +ATOM 1573 OG1 THR A 194 3.634 -42.875 -8.660 1.00 10.45 O +ANISOU 1573 OG1 THR A 194 1217 1435 1319 -26 -430 -396 O +ATOM 1574 CG2 THR A 194 4.200 -44.848 -7.403 1.00 10.31 C +ANISOU 1574 CG2 THR A 194 1269 1268 1382 -83 -400 -196 C +ATOM 1575 N PRO A 195 7.056 -43.600 -11.141 1.00 11.44 N +ANISOU 1575 N PRO A 195 1339 1616 1393 29 -320 -505 N +ATOM 1576 CA PRO A 195 7.198 -43.122 -12.524 1.00 13.45 C +ANISOU 1576 CA PRO A 195 1586 2024 1499 67 -264 -496 C +ATOM 1577 C PRO A 195 6.227 -43.769 -13.523 1.00 15.83 C +ANISOU 1577 C PRO A 195 2049 2369 1595 269 -316 -700 C +ATOM 1578 O PRO A 195 5.931 -43.179 -14.556 1.00 17.78 O +ANISOU 1578 O PRO A 195 2297 2766 1693 478 -348 -677 O +ATOM 1579 CB PRO A 195 8.661 -43.438 -12.848 1.00 13.92 C +ANISOU 1579 CB PRO A 195 1634 2112 1543 168 -215 -482 C +ATOM 1580 CG PRO A 195 9.034 -44.546 -11.890 1.00 13.21 C +ANISOU 1580 CG PRO A 195 1557 1935 1528 121 -282 -579 C +ATOM 1581 CD PRO A 195 8.301 -44.209 -10.632 1.00 11.74 C +ANISOU 1581 CD PRO A 195 1363 1649 1447 15 -305 -510 C +ATOM 1582 N GLY A 196 5.703 -44.940 -13.201 1.00 15.53 N +ANISOU 1582 N GLY A 196 2094 2227 1579 78 -455 -995 N +ATOM 1583 CA GLY A 196 4.742 -45.594 -14.073 1.00 16.19 C +ANISOU 1583 CA GLY A 196 2120 2345 1689 -70 -561 -982 C +ATOM 1584 C GLY A 196 3.299 -45.154 -13.904 1.00 17.03 C +ANISOU 1584 C GLY A 196 2188 2508 1774 64 -634 -1033 C +ATOM 1585 O GLY A 196 2.422 -45.637 -14.623 1.00 18.35 O +ANISOU 1585 O GLY A 196 2352 2759 1859 168 -728 -1080 O +ATOM 1586 N ILE A 197 3.044 -44.246 -12.971 1.00 15.98 N +ANISOU 1586 N ILE A 197 1966 2365 1740 84 -707 -922 N +ATOM 1587 CA ILE A 197 1.693 -43.778 -12.698 1.00 15.98 C +ANISOU 1587 CA ILE A 197 1891 2390 1789 -177 -770 -774 C +ATOM 1588 C ILE A 197 1.679 -42.256 -12.697 1.00 15.18 C +ANISOU 1588 C ILE A 197 1807 2299 1663 -40 -795 -689 C +ATOM 1589 O ILE A 197 2.332 -41.619 -11.872 1.00 13.70 O +ANISOU 1589 O ILE A 197 1700 2016 1490 89 -675 -565 O +ATOM 1590 CB ILE A 197 1.199 -44.255 -11.323 1.00 17.14 C +ANISOU 1590 CB ILE A 197 2038 2478 1998 -205 -712 -720 C +ATOM 1591 CG1 ILE A 197 1.228 -45.783 -11.228 1.00 18.47 C +ANISOU 1591 CG1 ILE A 197 2321 2584 2112 12 -619 -686 C +ATOM 1592 CG2 ILE A 197 -0.207 -43.692 -11.029 1.00 17.19 C +ANISOU 1592 CG2 ILE A 197 1986 2515 2030 -280 -753 -699 C +ATOM 1593 CD1 ILE A 197 0.959 -46.292 -9.842 1.00 19.26 C +ANISOU 1593 CD1 ILE A 197 2474 2653 2191 91 -544 -711 C +ATOM 1594 N SER A 198 0.920 -41.655 -13.601 1.00 17.21 N +ANISOU 1594 N SER A 198 2029 2757 1753 274 -905 -745 N +ATOM 1595 CA ASER A 198 0.819 -40.209 -13.693 0.63 18.35 C +ANISOU 1595 CA ASER A 198 2126 3053 1794 438 -938 -739 C +ATOM 1596 CA BSER A 198 0.852 -40.205 -13.661 0.37 18.21 C +ANISOU 1596 CA BSER A 198 2112 3023 1784 520 -931 -722 C +ATOM 1597 C SER A 198 -0.218 -39.672 -12.723 1.00 17.78 C +ANISOU 1597 C SER A 198 2032 2948 1777 465 -914 -731 C +ATOM 1598 O SER A 198 -1.214 -40.337 -12.453 1.00 18.94 O +ANISOU 1598 O SER A 198 2073 3159 1966 406 -789 -800 O +ATOM 1599 CB ASER A 198 0.391 -39.815 -15.103 0.63 20.46 C +ANISOU 1599 CB ASER A 198 2366 3550 1858 662 -918 -721 C +ATOM 1600 CB BSER A 198 0.570 -39.730 -15.086 0.37 19.80 C +ANISOU 1600 CB BSER A 198 2311 3347 1865 816 -846 -628 C +ATOM 1601 OG ASER A 198 -0.912 -40.308 -15.379 0.63 21.85 O +ANISOU 1601 OG ASER A 198 2528 3856 1919 770 -863 -737 O +ATOM 1602 OG BSER A 198 1.693 -39.939 -15.922 0.37 20.73 O +ANISOU 1602 OG BSER A 198 2423 3522 1932 966 -768 -571 O +ATOM 1603 N GLY A 199 0.013 -38.471 -12.209 1.00 16.39 N +ANISOU 1603 N GLY A 199 1945 2676 1607 645 -866 -587 N +ATOM 1604 CA GLY A 199 -1.012 -37.753 -11.485 1.00 15.78 C +ANISOU 1604 CA GLY A 199 1987 2533 1477 893 -769 -489 C +ATOM 1605 C GLY A 199 -1.154 -38.059 -10.020 1.00 14.40 C +ANISOU 1605 C GLY A 199 1814 2281 1378 725 -754 -485 C +ATOM 1606 O GLY A 199 -2.027 -37.490 -9.369 1.00 16.33 O +ANISOU 1606 O GLY A 199 2120 2640 1442 977 -746 -379 O +ATOM 1607 N ASP A 200 -0.294 -38.933 -9.498 1.00 12.36 N +ANISOU 1607 N ASP A 200 1529 1893 1274 350 -692 -530 N +ATOM 1608 CA ASP A 200 -0.336 -39.290 -8.084 1.00 11.56 C +ANISOU 1608 CA ASP A 200 1403 1776 1215 160 -616 -514 C +ATOM 1609 C ASP A 200 0.821 -38.640 -7.319 1.00 10.82 C +ANISOU 1609 C ASP A 200 1425 1657 1029 114 -517 -391 C +ATOM 1610 O ASP A 200 1.618 -37.872 -7.860 1.00 10.66 O +ANISOU 1610 O ASP A 200 1537 1605 910 111 -467 -311 O +ATOM 1611 CB ASP A 200 -0.374 -40.808 -7.900 1.00 11.77 C +ANISOU 1611 CB ASP A 200 1357 1792 1323 60 -569 -486 C +ATOM 1612 CG ASP A 200 0.897 -41.474 -8.316 1.00 11.10 C +ANISOU 1612 CG ASP A 200 1241 1587 1389 -40 -586 -400 C +ATOM 1613 OD1 ASP A 200 1.695 -40.834 -9.033 1.00 11.03 O +ANISOU 1613 OD1 ASP A 200 1290 1577 1323 35 -498 -394 O +ATOM 1614 OD2 ASP A 200 1.112 -42.639 -7.917 1.00 11.72 O +ANISOU 1614 OD2 ASP A 200 1174 1735 1544 -152 -542 -286 O +ATOM 1615 N SER A 201 0.878 -38.920 -6.029 1.00 10.61 N +ANISOU 1615 N SER A 201 1382 1655 993 -5 -566 -379 N +ATOM 1616 CA ASER A 201 1.926 -38.380 -5.190 0.57 10.14 C +ANISOU 1616 CA ASER A 201 1351 1546 956 90 -417 -378 C +ATOM 1617 CA BSER A 201 1.826 -38.294 -5.120 0.43 10.09 C +ANISOU 1617 CA BSER A 201 1321 1548 965 21 -444 -350 C +ATOM 1618 C SER A 201 1.966 -39.206 -3.922 1.00 9.32 C +ANISOU 1618 C SER A 201 1135 1478 927 -15 -374 -288 C +ATOM 1619 O SER A 201 1.109 -40.070 -3.700 1.00 9.55 O +ANISOU 1619 O SER A 201 1075 1568 985 -114 -376 -250 O +ATOM 1620 CB ASER A 201 1.634 -36.926 -4.865 0.57 11.96 C +ANISOU 1620 CB ASER A 201 1656 1852 1036 563 -278 -279 C +ATOM 1621 CB BSER A 201 1.291 -36.956 -4.612 0.43 11.51 C +ANISOU 1621 CB BSER A 201 1540 1781 1052 264 -352 -255 C +ATOM 1622 OG ASER A 201 0.411 -36.845 -4.184 0.57 12.50 O +ANISOU 1622 OG ASER A 201 1752 1899 1097 590 -267 -217 O +ATOM 1623 OG BSER A 201 0.561 -36.255 -5.593 0.43 12.84 O +ANISOU 1623 OG BSER A 201 1770 1991 1119 409 -315 -189 O +ATOM 1624 N LEU A 202 2.983 -38.971 -3.105 1.00 8.48 N +ANISOU 1624 N LEU A 202 991 1389 844 -83 -218 -252 N +ATOM 1625 CA LEU A 202 3.114 -39.702 -1.862 1.00 7.75 C +ANISOU 1625 CA LEU A 202 865 1280 802 -104 -198 -166 C +ATOM 1626 C LEU A 202 2.069 -39.253 -0.833 1.00 7.37 C +ANISOU 1626 C LEU A 202 768 1183 850 -210 -226 -102 C +ATOM 1627 O LEU A 202 1.470 -40.068 -0.131 1.00 8.44 O +ANISOU 1627 O LEU A 202 935 1220 1050 -96 -162 -57 O +ATOM 1628 CB LEU A 202 4.509 -39.497 -1.313 1.00 7.77 C +ANISOU 1628 CB LEU A 202 890 1330 732 -12 -191 -189 C +ATOM 1629 CG LEU A 202 4.824 -40.143 0.028 1.00 8.38 C +ANISOU 1629 CG LEU A 202 972 1437 774 83 -206 -115 C +ATOM 1630 CD1 LEU A 202 4.812 -41.671 -0.091 1.00 9.43 C +ANISOU 1630 CD1 LEU A 202 1156 1503 924 146 -313 -33 C +ATOM 1631 CD2 LEU A 202 6.192 -39.655 0.520 1.00 8.86 C +ANISOU 1631 CD2 LEU A 202 984 1585 798 101 -209 -118 C +ATOM 1632 N ARG A 203 1.895 -37.939 -0.699 1.00 7.54 N +ANISOU 1632 N ARG A 203 760 1280 824 -148 -246 -141 N +ATOM 1633 CA ARG A 203 0.864 -37.344 0.144 1.00 7.20 C +ANISOU 1633 CA ARG A 203 723 1309 706 -109 -274 -101 C +ATOM 1634 C ARG A 203 0.252 -36.177 -0.611 1.00 7.51 C +ANISOU 1634 C ARG A 203 746 1336 771 -125 -250 -34 C +ATOM 1635 O ARG A 203 0.866 -35.635 -1.529 1.00 7.73 O +ANISOU 1635 O ARG A 203 868 1194 876 36 -145 -115 O +ATOM 1636 CB ARG A 203 1.436 -36.814 1.459 1.00 7.09 C +ANISOU 1636 CB ARG A 203 750 1326 618 -130 -266 -69 C +ATOM 1637 CG ARG A 203 1.905 -37.872 2.407 1.00 6.83 C +ANISOU 1637 CG ARG A 203 714 1299 581 -121 -249 -6 C +ATOM 1638 CD ARG A 203 2.505 -37.283 3.667 1.00 6.63 C +ANISOU 1638 CD ARG A 203 749 1212 559 -126 -106 -5 C +ATOM 1639 NE ARG A 203 3.781 -36.597 3.494 1.00 6.05 N +ANISOU 1639 NE ARG A 203 830 1000 470 -54 -86 51 N +ATOM 1640 CZ ARG A 203 4.949 -37.213 3.514 1.00 6.35 C +ANISOU 1640 CZ ARG A 203 847 1100 465 75 -76 9 C +ATOM 1641 NH1 ARG A 203 5.005 -38.538 3.582 1.00 5.96 N +ANISOU 1641 NH1 ARG A 203 698 1069 500 25 -62 1 N +ATOM 1642 NH2 ARG A 203 6.061 -36.498 3.472 1.00 5.79 N +ANISOU 1642 NH2 ARG A 203 751 1005 445 -16 -54 34 N +ATOM 1643 N SER A 204 -0.938 -35.774 -0.173 1.00 7.85 N +ANISOU 1643 N SER A 204 709 1494 780 -52 -243 22 N +ATOM 1644 CA SER A 204 -1.570 -34.547 -0.640 1.00 7.93 C +ANISOU 1644 CA SER A 204 758 1527 727 85 -233 0 C +ATOM 1645 C SER A 204 -1.871 -33.676 0.570 1.00 7.72 C +ANISOU 1645 C SER A 204 850 1397 685 -26 -129 -68 C +ATOM 1646 O SER A 204 -2.438 -34.152 1.558 1.00 8.19 O +ANISOU 1646 O SER A 204 1069 1310 732 -20 -223 -76 O +ATOM 1647 CB SER A 204 -2.873 -34.851 -1.373 1.00 8.99 C +ANISOU 1647 CB SER A 204 899 1701 814 255 -325 -82 C +ATOM 1648 OG SER A 204 -3.561 -33.658 -1.672 1.00 9.28 O +ANISOU 1648 OG SER A 204 933 1749 842 269 -363 -118 O +ATOM 1649 N MET A 205 -1.509 -32.399 0.505 1.00 7.88 N +ANISOU 1649 N MET A 205 819 1462 711 -44 -180 -100 N +ATOM 1650 CA MET A 205 -1.895 -31.452 1.547 1.00 8.20 C +ANISOU 1650 CA MET A 205 847 1382 888 -38 -230 -210 C +ATOM 1651 C MET A 205 -3.316 -30.919 1.316 1.00 8.84 C +ANISOU 1651 C MET A 205 820 1431 1109 -95 -262 -222 C +ATOM 1652 O MET A 205 -4.050 -30.627 2.260 1.00 9.88 O +ANISOU 1652 O MET A 205 863 1600 1291 -70 -183 -219 O +ATOM 1653 CB MET A 205 -0.937 -30.263 1.606 1.00 8.15 C +ANISOU 1653 CB MET A 205 764 1454 880 -112 -221 -102 C +ATOM 1654 CG MET A 205 0.501 -30.648 1.849 1.00 8.78 C +ANISOU 1654 CG MET A 205 791 1686 858 -212 -160 -14 C +ATOM 1655 SD MET A 205 1.606 -29.227 1.951 1.00 9.41 S +ANISOU 1655 SD MET A 205 924 1904 747 -225 -131 44 S +ATOM 1656 CE MET A 205 1.052 -28.472 3.483 1.00 9.80 C +ANISOU 1656 CE MET A 205 1153 1826 747 -226 -205 -229 C +ATOM 1657 N SER A 206 -3.697 -30.776 0.052 1.00 9.68 N +ANISOU 1657 N SER A 206 822 1575 1280 59 -371 -102 N +ATOM 1658 CA SER A 206 -5.004 -30.241 -0.277 1.00 10.45 C +ANISOU 1658 CA SER A 206 899 1689 1381 114 -416 -99 C +ATOM 1659 C SER A 206 -6.120 -31.238 0.004 1.00 10.10 C +ANISOU 1659 C SER A 206 822 1602 1412 27 -318 -219 C +ATOM 1660 O SER A 206 -7.225 -30.855 0.367 1.00 11.20 O +ANISOU 1660 O SER A 206 956 1725 1574 181 -188 -164 O +ATOM 1661 CB SER A 206 -5.023 -29.798 -1.734 1.00 11.94 C +ANISOU 1661 CB SER A 206 1231 1860 1445 240 -376 138 C +ATOM 1662 OG SER A 206 -4.707 -30.864 -2.594 1.00 13.35 O +ANISOU 1662 OG SER A 206 1473 2134 1464 170 -275 203 O +ATOM 1663 N ASP A 207 -5.817 -32.516 -0.143 1.00 9.79 N +ANISOU 1663 N ASP A 207 810 1561 1347 89 -362 -160 N +ATOM 1664 CA ASP A 207 -6.773 -33.560 0.148 1.00 10.26 C +ANISOU 1664 CA ASP A 207 856 1649 1394 21 -446 -342 C +ATOM 1665 C ASP A 207 -6.035 -34.795 0.650 1.00 9.21 C +ANISOU 1665 C ASP A 207 731 1585 1183 -121 -273 -377 C +ATOM 1666 O ASP A 207 -5.850 -35.763 -0.083 1.00 9.47 O +ANISOU 1666 O ASP A 207 896 1570 1131 7 -264 -350 O +ATOM 1667 CB ASP A 207 -7.566 -33.883 -1.117 1.00 13.28 C +ANISOU 1667 CB ASP A 207 1206 2023 1817 219 -641 -510 C +ATOM 1668 CG ASP A 207 -8.624 -34.924 -0.896 1.00 16.24 C +ANISOU 1668 CG ASP A 207 1412 2453 2306 208 -635 -686 C +ATOM 1669 OD1 ASP A 207 -8.925 -35.238 0.273 1.00 15.69 O +ANISOU 1669 OD1 ASP A 207 1255 2151 2556 -157 -250 -410 O +ATOM 1670 OD2 ASP A 207 -9.162 -35.412 -1.916 1.00 19.09 O +ANISOU 1670 OD2 ASP A 207 1686 2971 2597 162 -745 -879 O +ATOM 1671 N PRO A 208 -5.630 -34.776 1.927 1.00 9.01 N +ANISOU 1671 N PRO A 208 729 1592 1103 -18 -280 -384 N +ATOM 1672 CA PRO A 208 -4.824 -35.892 2.443 1.00 8.53 C +ANISOU 1672 CA PRO A 208 807 1384 1051 -110 -320 -340 C +ATOM 1673 C PRO A 208 -5.516 -37.243 2.281 1.00 8.76 C +ANISOU 1673 C PRO A 208 859 1439 1029 -133 -225 -351 C +ATOM 1674 O PRO A 208 -4.837 -38.269 2.111 1.00 9.15 O +ANISOU 1674 O PRO A 208 1040 1409 1026 26 -244 -261 O +ATOM 1675 CB PRO A 208 -4.638 -35.531 3.922 1.00 9.06 C +ANISOU 1675 CB PRO A 208 967 1381 1096 36 -233 -403 C +ATOM 1676 CG PRO A 208 -4.712 -34.041 3.957 1.00 9.32 C +ANISOU 1676 CG PRO A 208 855 1573 1113 226 -194 -378 C +ATOM 1677 CD PRO A 208 -5.750 -33.683 2.912 1.00 9.32 C +ANISOU 1677 CD PRO A 208 843 1548 1152 158 -279 -348 C +ATOM 1678 N ALA A 209 -6.846 -37.249 2.315 1.00 9.11 N +ANISOU 1678 N ALA A 209 821 1514 1127 -183 -81 -341 N +ATOM 1679 CA ALA A 209 -7.587 -38.493 2.256 1.00 10.71 C +ANISOU 1679 CA ALA A 209 1066 1669 1333 -258 -88 -392 C +ATOM 1680 C ALA A 209 -7.438 -39.213 0.908 1.00 12.28 C +ANISOU 1680 C ALA A 209 1417 1761 1487 -351 -204 -696 C +ATOM 1681 O ALA A 209 -7.697 -40.402 0.817 1.00 13.36 O +ANISOU 1681 O ALA A 209 1737 1797 1544 -386 -140 -598 O +ATOM 1682 CB ALA A 209 -9.072 -38.238 2.575 1.00 11.39 C +ANISOU 1682 CB ALA A 209 1040 1877 1412 -224 -135 -244 C +ATOM 1683 N LYS A 210 -7.015 -38.499 -0.127 1.00 13.74 N +ANISOU 1683 N LYS A 210 1651 1948 1620 -416 -255 -865 N +ATOM 1684 CA ALYS A 210 -6.810 -39.100 -1.450 0.54 16.17 C +ANISOU 1684 CA ALYS A 210 2081 2300 1763 -240 -273 -1001 C +ATOM 1685 CA BLYS A 210 -6.800 -39.091 -1.447 0.46 16.24 C +ANISOU 1685 CA BLYS A 210 2055 2333 1783 -196 -261 -970 C +ATOM 1686 C LYS A 210 -5.819 -40.260 -1.354 1.00 16.29 C +ANISOU 1686 C LYS A 210 2065 2304 1820 -163 -218 -1033 C +ATOM 1687 O LYS A 210 -5.928 -41.231 -2.096 1.00 17.59 O +ANISOU 1687 O LYS A 210 2236 2575 1872 12 -234 -1077 O +ATOM 1688 CB ALYS A 210 -6.281 -38.037 -2.421 0.54 19.01 C +ANISOU 1688 CB ALYS A 210 2634 2733 1858 91 -256 -920 C +ATOM 1689 CB BLYS A 210 -6.251 -38.020 -2.395 0.46 19.07 C +ANISOU 1689 CB BLYS A 210 2535 2794 1916 166 -232 -854 C +ATOM 1690 CG ALYS A 210 -6.426 -38.318 -3.918 0.54 21.35 C +ANISOU 1690 CG ALYS A 210 3012 3118 1980 372 -302 -841 C +ATOM 1691 CG BLYS A 210 -6.099 -38.428 -3.850 0.46 21.27 C +ANISOU 1691 CG BLYS A 210 2846 3171 2065 447 -258 -757 C +ATOM 1692 CD ALYS A 210 -5.872 -37.127 -4.708 0.54 22.89 C +ANISOU 1692 CD ALYS A 210 3271 3404 2022 584 -354 -785 C +ATOM 1693 CD BLYS A 210 -5.118 -37.503 -4.568 0.46 22.73 C +ANISOU 1693 CD BLYS A 210 3025 3457 2154 688 -286 -684 C +ATOM 1694 CE ALYS A 210 -6.165 -37.187 -6.192 0.54 23.94 C +ANISOU 1694 CE ALYS A 210 3430 3617 2049 715 -396 -728 C +ATOM 1695 CE BLYS A 210 -5.743 -36.146 -4.896 0.46 23.50 C +ANISOU 1695 CE BLYS A 210 3115 3627 2189 815 -394 -682 C +ATOM 1696 NZ ALYS A 210 -5.476 -36.073 -6.909 0.54 24.12 N +ANISOU 1696 NZ ALYS A 210 3467 3671 2027 756 -458 -718 N +ATOM 1697 NZ BLYS A 210 -4.789 -35.004 -4.714 0.46 23.26 N +ANISOU 1697 NZ BLYS A 210 3026 3635 2178 654 -489 -725 N +ATOM 1698 N TYR A 211 -4.850 -40.152 -0.441 1.00 16.58 N +ANISOU 1698 N TYR A 211 1989 2426 1884 32 -83 -1037 N +ATOM 1699 CA TYR A 211 -3.807 -41.179 -0.265 1.00 17.61 C +ANISOU 1699 CA TYR A 211 2090 2599 2002 275 120 -1002 C +ATOM 1700 C TYR A 211 -3.920 -41.831 1.105 1.00 18.98 C +ANISOU 1700 C TYR A 211 2510 2592 2110 764 -32 -893 C +ATOM 1701 O TYR A 211 -2.943 -42.343 1.638 1.00 20.60 O +ANISOU 1701 O TYR A 211 2754 2793 2281 1079 -41 -837 O +ATOM 1702 CB TYR A 211 -2.418 -40.577 -0.501 1.00 17.46 C +ANISOU 1702 CB TYR A 211 1720 2853 2061 38 308 -1077 C +ATOM 1703 CG TYR A 211 -2.335 -40.014 -1.874 1.00 17.74 C +ANISOU 1703 CG TYR A 211 1602 3007 2131 -240 463 -1213 C +ATOM 1704 CD1 TYR A 211 -2.513 -40.842 -2.973 1.00 18.46 C +ANISOU 1704 CD1 TYR A 211 1810 3011 2194 -225 512 -1273 C +ATOM 1705 CD2 TYR A 211 -2.138 -38.666 -2.092 1.00 18.19 C +ANISOU 1705 CD2 TYR A 211 1698 3038 2175 -594 535 -1183 C +ATOM 1706 CE1 TYR A 211 -2.480 -40.352 -4.227 1.00 19.43 C +ANISOU 1706 CE1 TYR A 211 2034 3102 2246 -388 650 -1132 C +ATOM 1707 CE2 TYR A 211 -2.110 -38.158 -3.364 1.00 20.25 C +ANISOU 1707 CE2 TYR A 211 2175 3221 2296 -339 638 -1080 C +ATOM 1708 CZ TYR A 211 -2.275 -39.017 -4.433 1.00 21.44 C +ANISOU 1708 CZ TYR A 211 2498 3333 2317 -233 651 -1023 C +ATOM 1709 OH TYR A 211 -2.249 -38.542 -5.722 1.00 24.06 O +ANISOU 1709 OH TYR A 211 3021 3648 2472 -111 732 -781 O +ATOM 1710 N GLY A 212 -5.132 -41.770 1.667 1.00 17.58 N +ANISOU 1710 N GLY A 212 2522 2184 1975 324 -93 -853 N +ATOM 1711 CA GLY A 212 -5.503 -42.485 2.878 1.00 16.42 C +ANISOU 1711 CA GLY A 212 2595 1779 1866 111 -102 -787 C +ATOM 1712 C GLY A 212 -5.154 -41.838 4.211 1.00 14.97 C +ANISOU 1712 C GLY A 212 2324 1654 1708 -155 -88 -509 C +ATOM 1713 O GLY A 212 -5.245 -42.464 5.267 1.00 16.51 O +ANISOU 1713 O GLY A 212 2863 1579 1830 -421 31 -336 O +ATOM 1714 N ASP A 213 -4.722 -40.594 4.178 1.00 11.18 N +ANISOU 1714 N ASP A 213 1424 1370 1455 -137 -80 -413 N +ATOM 1715 CA ASP A 213 -4.341 -39.907 5.403 1.00 9.56 C +ANISOU 1715 CA ASP A 213 1006 1308 1319 -67 -33 -308 C +ATOM 1716 C ASP A 213 -5.507 -39.081 5.941 1.00 8.91 C +ANISOU 1716 C ASP A 213 913 1213 1260 -74 -92 -225 C +ATOM 1717 O ASP A 213 -6.328 -38.566 5.176 1.00 9.65 O +ANISOU 1717 O ASP A 213 1128 1286 1253 70 -238 -213 O +ATOM 1718 CB ASP A 213 -3.119 -39.041 5.140 1.00 9.14 C +ANISOU 1718 CB ASP A 213 965 1268 1241 -44 2 -192 C +ATOM 1719 CG ASP A 213 -1.921 -39.857 4.728 1.00 9.53 C +ANISOU 1719 CG ASP A 213 1082 1269 1272 88 110 -81 C +ATOM 1720 OD1 ASP A 213 -1.742 -40.967 5.289 1.00 10.55 O +ANISOU 1720 OD1 ASP A 213 1234 1378 1395 100 223 57 O +ATOM 1721 OD2 ASP A 213 -1.145 -39.377 3.867 1.00 9.94 O +ANISOU 1721 OD2 ASP A 213 978 1507 1292 60 107 -25 O +ATOM 1722 N PRO A 214 -5.571 -38.937 7.267 1.00 8.49 N +ANISOU 1722 N PRO A 214 769 1271 1186 -60 -1 -105 N +ATOM 1723 CA PRO A 214 -6.680 -38.203 7.884 1.00 8.36 C +ANISOU 1723 CA PRO A 214 761 1236 1178 -125 -17 -167 C +ATOM 1724 C PRO A 214 -6.648 -36.717 7.573 1.00 8.22 C +ANISOU 1724 C PRO A 214 731 1229 1163 -154 -20 -98 C +ATOM 1725 O PRO A 214 -5.587 -36.095 7.437 1.00 8.41 O +ANISOU 1725 O PRO A 214 757 1300 1139 -152 85 -29 O +ATOM 1726 CB PRO A 214 -6.464 -38.432 9.382 1.00 8.98 C +ANISOU 1726 CB PRO A 214 949 1250 1213 -86 48 -18 C +ATOM 1727 CG PRO A 214 -4.963 -38.660 9.491 1.00 8.84 C +ANISOU 1727 CG PRO A 214 942 1262 1156 -101 81 -16 C +ATOM 1728 CD PRO A 214 -4.635 -39.468 8.274 1.00 8.49 C +ANISOU 1728 CD PRO A 214 825 1239 1160 -9 -4 -90 C +ATOM 1729 N ASP A 215 -7.846 -36.146 7.486 1.00 8.67 N +ANISOU 1729 N ASP A 215 728 1274 1293 -128 -74 8 N +ATOM 1730 CA ASP A 215 -8.027 -34.719 7.241 1.00 9.13 C +ANISOU 1730 CA ASP A 215 803 1251 1415 -62 -108 -83 C +ATOM 1731 C ASP A 215 -8.878 -34.082 8.328 1.00 9.66 C +ANISOU 1731 C ASP A 215 908 1322 1438 42 -31 -74 C +ATOM 1732 O ASP A 215 -9.387 -32.972 8.172 1.00 10.34 O +ANISOU 1732 O ASP A 215 1019 1464 1447 126 -70 -84 O +ATOM 1733 CB ASP A 215 -8.633 -34.479 5.857 1.00 9.60 C +ANISOU 1733 CB ASP A 215 810 1293 1542 -102 -253 -101 C +ATOM 1734 CG ASP A 215 -9.993 -35.153 5.675 1.00 11.08 C +ANISOU 1734 CG ASP A 215 923 1561 1725 -27 -399 -135 C +ATOM 1735 OD1 ASP A 215 -10.489 -35.780 6.629 1.00 11.75 O +ANISOU 1735 OD1 ASP A 215 917 1677 1869 -180 -355 113 O +ATOM 1736 OD2 ASP A 215 -10.559 -35.061 4.576 1.00 11.02 O +ANISOU 1736 OD2 ASP A 215 956 1425 1806 -14 -461 -360 O +ATOM 1737 N HIS A 216 -8.987 -34.791 9.440 1.00 9.49 N +ANISOU 1737 N HIS A 216 858 1289 1458 51 124 -67 N +ATOM 1738 CA HIS A 216 -9.755 -34.348 10.585 1.00 9.82 C +ANISOU 1738 CA HIS A 216 954 1217 1558 -102 194 7 C +ATOM 1739 C HIS A 216 -9.234 -35.098 11.800 1.00 9.75 C +ANISOU 1739 C HIS A 216 1036 1184 1484 -66 215 -24 C +ATOM 1740 O HIS A 216 -8.925 -36.279 11.712 1.00 9.98 O +ANISOU 1740 O HIS A 216 1152 1136 1503 -32 218 -57 O +ATOM 1741 CB HIS A 216 -11.237 -34.621 10.372 1.00 11.83 C +ANISOU 1741 CB HIS A 216 1114 1581 1801 -98 282 46 C +ATOM 1742 CG HIS A 216 -12.104 -33.882 11.324 1.00 13.25 C +ANISOU 1742 CG HIS A 216 1272 1713 2051 -147 269 64 C +ATOM 1743 ND1 HIS A 216 -12.362 -34.337 12.598 1.00 14.78 N +ANISOU 1743 ND1 HIS A 216 1430 2033 2154 99 191 24 N +ATOM 1744 CD2 HIS A 216 -12.667 -32.658 11.234 1.00 14.73 C +ANISOU 1744 CD2 HIS A 216 1438 1979 2179 142 200 -15 C +ATOM 1745 CE1 HIS A 216 -13.162 -33.476 13.210 1.00 16.16 C +ANISOU 1745 CE1 HIS A 216 1702 2177 2262 212 108 -20 C +ATOM 1746 NE2 HIS A 216 -13.358 -32.444 12.406 1.00 16.59 N +ANISOU 1746 NE2 HIS A 216 1796 2218 2288 293 171 20 N +ATOM 1747 N TYR A 217 -9.145 -34.404 12.932 1.00 9.75 N +ANISOU 1747 N TYR A 217 1110 1167 1427 -51 289 46 N +ATOM 1748 CA TYR A 217 -8.610 -34.992 14.155 1.00 10.14 C +ANISOU 1748 CA TYR A 217 1141 1306 1407 -31 296 -44 C +ATOM 1749 C TYR A 217 -9.369 -36.241 14.599 1.00 11.17 C +ANISOU 1749 C TYR A 217 1237 1481 1526 34 273 -75 C +ATOM 1750 O TYR A 217 -8.787 -37.140 15.204 1.00 11.36 O +ANISOU 1750 O TYR A 217 1426 1437 1452 151 234 11 O +ATOM 1751 CB TYR A 217 -8.643 -33.940 15.257 1.00 10.45 C +ANISOU 1751 CB TYR A 217 1197 1354 1418 15 240 -82 C +ATOM 1752 CG TYR A 217 -7.821 -34.279 16.476 1.00 10.62 C +ANISOU 1752 CG TYR A 217 1157 1438 1442 47 208 -52 C +ATOM 1753 CD1 TYR A 217 -6.432 -34.365 16.415 1.00 10.38 C +ANISOU 1753 CD1 TYR A 217 1084 1442 1419 -34 179 -124 C +ATOM 1754 CD2 TYR A 217 -8.428 -34.469 17.702 1.00 11.55 C +ANISOU 1754 CD2 TYR A 217 1168 1761 1460 129 232 28 C +ATOM 1755 CE1 TYR A 217 -5.683 -34.652 17.540 1.00 10.44 C +ANISOU 1755 CE1 TYR A 217 1025 1514 1429 -113 184 -76 C +ATOM 1756 CE2 TYR A 217 -7.684 -34.754 18.825 1.00 11.74 C +ANISOU 1756 CE2 TYR A 217 1116 1884 1460 28 232 53 C +ATOM 1757 CZ TYR A 217 -6.316 -34.856 18.737 1.00 10.84 C +ANISOU 1757 CZ TYR A 217 1051 1633 1436 -148 203 22 C +ATOM 1758 OH TYR A 217 -5.593 -35.149 19.870 1.00 11.77 O +ANISOU 1758 OH TYR A 217 1186 1852 1434 -32 280 67 O +ATOM 1759 N SER A 218 -10.662 -36.299 14.291 1.00 11.49 N +ANISOU 1759 N SER A 218 1134 1545 1688 -73 437 75 N +ATOM 1760 CA SER A 218 -11.473 -37.478 14.610 1.00 12.77 C +ANISOU 1760 CA SER A 218 1377 1598 1879 -194 500 82 C +ATOM 1761 C SER A 218 -11.033 -38.750 13.881 1.00 13.83 C +ANISOU 1761 C SER A 218 1671 1481 2103 -159 700 144 C +ATOM 1762 O SER A 218 -11.435 -39.848 14.252 1.00 15.59 O +ANISOU 1762 O SER A 218 2016 1596 2309 -61 920 85 O +ATOM 1763 CB SER A 218 -12.963 -37.221 14.316 1.00 13.05 C +ANISOU 1763 CB SER A 218 1279 1796 1884 -261 488 -7 C +ATOM 1764 OG SER A 218 -13.215 -37.145 12.923 1.00 13.91 O +ANISOU 1764 OG SER A 218 1413 1893 1980 -179 351 -184 O +ATOM 1765 N LYS A 219 -10.249 -38.599 12.821 1.00 12.83 N +ANISOU 1765 N LYS A 219 1446 1285 2143 -280 704 14 N +ATOM 1766 CA LYS A 219 -9.746 -39.717 12.037 1.00 13.36 C +ANISOU 1766 CA LYS A 219 1500 1338 2237 -312 641 -21 C +ATOM 1767 C LYS A 219 -8.275 -39.987 12.312 1.00 13.31 C +ANISOU 1767 C LYS A 219 1486 1265 2307 -201 677 -5 C +ATOM 1768 O LYS A 219 -7.640 -40.731 11.573 1.00 13.87 O +ANISOU 1768 O LYS A 219 1603 1288 2378 -256 853 -73 O +ATOM 1769 CB LYS A 219 -9.949 -39.456 10.543 1.00 14.16 C +ANISOU 1769 CB LYS A 219 1619 1542 2220 -369 614 16 C +ATOM 1770 CG LYS A 219 -11.427 -39.224 10.162 1.00 15.15 C +ANISOU 1770 CG LYS A 219 1792 1786 2177 -402 547 -44 C +ATOM 1771 CD LYS A 219 -11.685 -39.307 8.650 1.00 16.92 C +ANISOU 1771 CD LYS A 219 2072 2155 2203 -150 485 -88 C +ATOM 1772 CE LYS A 219 -13.150 -38.991 8.307 1.00 17.02 C +ANISOU 1772 CE LYS A 219 2259 2023 2187 -307 336 -195 C +ATOM 1773 NZ LYS A 219 -13.503 -39.246 6.848 1.00 17.79 N +ANISOU 1773 NZ LYS A 219 2427 2111 2222 -137 301 -215 N +ATOM 1774 N ARG A 220 -7.720 -39.410 13.373 1.00 12.85 N +ANISOU 1774 N ARG A 220 1375 1246 2260 -143 626 88 N +ATOM 1775 CA ARG A 220 -6.305 -39.626 13.667 1.00 12.87 C +ANISOU 1775 CA ARG A 220 1481 1159 2250 -167 479 180 C +ATOM 1776 C ARG A 220 -5.996 -41.091 13.960 1.00 12.22 C +ANISOU 1776 C ARG A 220 1341 1133 2168 -269 574 241 C +ATOM 1777 O ARG A 220 -6.817 -41.825 14.500 1.00 12.85 O +ANISOU 1777 O ARG A 220 1405 1252 2224 -272 658 312 O +ATOM 1778 CB ARG A 220 -5.864 -38.752 14.831 1.00 14.17 C +ANISOU 1778 CB ARG A 220 1770 1317 2295 -15 226 -5 C +ATOM 1779 CG ARG A 220 -6.412 -39.163 16.170 1.00 15.19 C +ANISOU 1779 CG ARG A 220 2170 1364 2238 144 35 -99 C +ATOM 1780 CD ARG A 220 -6.201 -38.051 17.166 1.00 17.70 C +ANISOU 1780 CD ARG A 220 2719 1787 2218 280 -1 -51 C +ATOM 1781 NE ARG A 220 -6.746 -38.368 18.480 1.00 20.21 N +ANISOU 1781 NE ARG A 220 3265 2203 2212 440 13 50 N +ATOM 1782 CZ ARG A 220 -8.029 -38.261 18.808 1.00 22.02 C +ANISOU 1782 CZ ARG A 220 3631 2546 2188 454 171 190 C +ATOM 1783 NH1 ARG A 220 -8.922 -37.852 17.917 1.00 21.44 N +ANISOU 1783 NH1 ARG A 220 3544 2441 2159 230 128 97 N +ATOM 1784 NH2 ARG A 220 -8.425 -38.576 20.037 1.00 23.89 N +ANISOU 1784 NH2 ARG A 220 3976 2901 2200 590 266 296 N +ATOM 1785 N TYR A 221 -4.790 -41.491 13.581 1.00 11.90 N +ANISOU 1785 N TYR A 221 1255 1210 2057 -218 536 185 N +ATOM 1786 CA TYR A 221 -4.248 -42.806 13.891 1.00 12.08 C +ANISOU 1786 CA TYR A 221 1433 1255 1903 -197 607 164 C +ATOM 1787 C TYR A 221 -3.596 -42.807 15.276 1.00 13.88 C +ANISOU 1787 C TYR A 221 2049 1306 1918 -130 798 321 C +ATOM 1788 O TYR A 221 -2.847 -41.905 15.609 1.00 14.33 O +ANISOU 1788 O TYR A 221 2301 1353 1790 -202 669 189 O +ATOM 1789 CB TYR A 221 -3.208 -43.147 12.823 1.00 11.38 C +ANISOU 1789 CB TYR A 221 1304 1309 1711 -106 475 99 C +ATOM 1790 CG TYR A 221 -2.488 -44.455 13.048 1.00 11.11 C +ANISOU 1790 CG TYR A 221 1230 1409 1582 -127 349 30 C +ATOM 1791 CD1 TYR A 221 -3.103 -45.668 12.785 1.00 11.17 C +ANISOU 1791 CD1 TYR A 221 1244 1430 1569 -189 206 -1 C +ATOM 1792 CD2 TYR A 221 -1.198 -44.473 13.524 1.00 11.15 C +ANISOU 1792 CD2 TYR A 221 1224 1435 1577 -282 324 39 C +ATOM 1793 CE1 TYR A 221 -2.449 -46.860 12.984 1.00 11.66 C +ANISOU 1793 CE1 TYR A 221 1457 1328 1647 -179 167 -79 C +ATOM 1794 CE2 TYR A 221 -0.528 -45.657 13.719 1.00 11.48 C +ANISOU 1794 CE2 TYR A 221 1304 1453 1604 -156 266 -21 C +ATOM 1795 CZ TYR A 221 -1.164 -46.853 13.459 1.00 12.08 C +ANISOU 1795 CZ TYR A 221 1477 1439 1676 -51 202 -16 C +ATOM 1796 OH TYR A 221 -0.511 -48.045 13.650 1.00 13.45 O +ANISOU 1796 OH TYR A 221 1724 1566 1820 -15 170 -204 O +ATOM 1797 N THR A 222 -3.861 -43.822 16.091 1.00 16.08 N +ANISOU 1797 N THR A 222 2517 1524 2067 16 940 442 N +ATOM 1798 CA THR A 222 -3.240 -43.857 17.411 1.00 19.51 C +ANISOU 1798 CA THR A 222 3096 2064 2252 246 978 508 C +ATOM 1799 C THR A 222 -2.550 -45.172 17.703 1.00 19.36 C +ANISOU 1799 C THR A 222 3057 2110 2189 72 838 542 C +ATOM 1800 O THR A 222 -2.270 -45.471 18.865 1.00 20.82 O +ANISOU 1800 O THR A 222 3305 2406 2201 161 849 616 O +ATOM 1801 CB THR A 222 -4.247 -43.582 18.526 1.00 22.84 C +ANISOU 1801 CB THR A 222 3582 2646 2453 588 1083 506 C +ATOM 1802 OG1 THR A 222 -5.290 -44.550 18.455 1.00 23.52 O +ANISOU 1802 OG1 THR A 222 3539 2810 2588 407 1214 651 O +ATOM 1803 CG2 THR A 222 -4.853 -42.198 18.393 1.00 24.41 C +ANISOU 1803 CG2 THR A 222 3888 2906 2481 847 1079 447 C +ATOM 1804 N GLY A 223 -2.258 -45.940 16.657 1.00 17.43 N +ANISOU 1804 N GLY A 223 2778 1723 2120 -202 763 483 N +ATOM 1805 CA GLY A 223 -1.471 -47.148 16.793 1.00 16.85 C +ANISOU 1805 CA GLY A 223 2576 1757 2069 -454 728 397 C +ATOM 1806 C GLY A 223 0.007 -46.818 16.815 1.00 16.45 C +ANISOU 1806 C GLY A 223 2483 1769 1998 -628 668 343 C +ATOM 1807 O GLY A 223 0.398 -45.649 16.902 1.00 16.50 O +ANISOU 1807 O GLY A 223 2404 1867 1999 -537 718 326 O +ATOM 1808 N THR A 224 0.832 -47.854 16.725 1.00 16.63 N +ANISOU 1808 N THR A 224 2547 1858 1912 -531 570 388 N +ATOM 1809 CA THR A 224 2.269 -47.682 16.880 1.00 17.23 C +ANISOU 1809 CA THR A 224 2588 2105 1854 -303 432 425 C +ATOM 1810 C THR A 224 3.084 -47.656 15.588 1.00 15.09 C +ANISOU 1810 C THR A 224 2298 1771 1666 -300 310 354 C +ATOM 1811 O THR A 224 4.258 -47.315 15.627 1.00 15.47 O +ANISOU 1811 O THR A 224 2249 2021 1609 -217 194 318 O +ATOM 1812 CB THR A 224 2.859 -48.775 17.777 1.00 19.56 C +ANISOU 1812 CB THR A 224 2925 2476 2031 4 427 518 C +ATOM 1813 OG1 THR A 224 2.713 -50.054 17.138 1.00 20.09 O +ANISOU 1813 OG1 THR A 224 3102 2386 2147 149 448 694 O +ATOM 1814 CG2 THR A 224 2.154 -48.776 19.133 1.00 20.61 C +ANISOU 1814 CG2 THR A 224 3014 2762 2055 92 435 551 C +ATOM 1815 N GLN A 225 2.491 -48.018 14.453 1.00 12.74 N +ANISOU 1815 N GLN A 225 2024 1265 1549 -424 300 269 N +ATOM 1816 CA AGLN A 225 3.267 -48.011 13.225 0.52 12.45 C +ANISOU 1816 CA AGLN A 225 1929 1237 1564 -469 309 180 C +ATOM 1817 CA BGLN A 225 3.172 -47.984 13.155 0.48 12.49 C +ANISOU 1817 CA BGLN A 225 1951 1275 1519 -392 298 190 C +ATOM 1818 C GLN A 225 3.677 -46.579 12.881 1.00 10.74 C +ANISOU 1818 C GLN A 225 1647 1129 1306 -371 208 155 C +ATOM 1819 O GLN A 225 3.053 -45.602 13.313 1.00 9.57 O +ANISOU 1819 O GLN A 225 1421 1139 1077 -442 62 77 O +ATOM 1820 CB AGLN A 225 2.490 -48.636 12.080 0.52 14.10 C +ANISOU 1820 CB AGLN A 225 2170 1360 1828 -509 357 105 C +ATOM 1821 CB BGLN A 225 2.208 -48.366 12.022 0.48 14.11 C +ANISOU 1821 CB BGLN A 225 2216 1445 1701 -301 319 116 C +ATOM 1822 CG AGLN A 225 2.090 -50.093 12.335 0.52 16.23 C +ANISOU 1822 CG AGLN A 225 2456 1610 2101 -375 381 -2 C +ATOM 1823 CG BGLN A 225 1.780 -49.831 12.013 0.48 16.31 C +ANISOU 1823 CG BGLN A 225 2524 1797 1876 -67 280 57 C +ATOM 1824 CD AGLN A 225 3.275 -51.016 12.590 0.52 18.04 C +ANISOU 1824 CD AGLN A 225 2672 1848 2334 -273 439 -47 C +ATOM 1825 CD BGLN A 225 0.820 -50.204 10.873 0.48 18.00 C +ANISOU 1825 CD BGLN A 225 2725 2106 2009 172 225 26 C +ATOM 1826 OE1AGLN A 225 4.282 -50.971 11.889 0.52 18.49 O +ANISOU 1826 OE1AGLN A 225 2764 1777 2485 -331 449 -115 O +ATOM 1827 OE1BGLN A 225 0.378 -49.363 10.081 0.48 18.27 O +ANISOU 1827 OE1BGLN A 225 2662 2255 2022 170 198 33 O +ATOM 1828 NE2AGLN A 225 3.147 -51.868 13.595 0.52 19.22 N +ANISOU 1828 NE2AGLN A 225 2801 2108 2395 -10 418 -30 N +ATOM 1829 NE2BGLN A 225 0.487 -51.485 10.803 0.48 19.44 N +ANISOU 1829 NE2BGLN A 225 2940 2350 2096 354 199 -9 N +ATOM 1830 N ASP A 226 4.767 -46.458 12.134 1.00 9.49 N +ANISOU 1830 N ASP A 226 1394 1032 1181 -237 230 117 N +ATOM 1831 CA ASP A 226 5.225 -45.163 11.649 1.00 8.55 C +ANISOU 1831 CA ASP A 226 1210 992 1046 -234 161 27 C +ATOM 1832 C ASP A 226 5.425 -44.169 12.793 1.00 8.22 C +ANISOU 1832 C ASP A 226 1078 1041 1005 -109 122 69 C +ATOM 1833 O ASP A 226 5.040 -43.006 12.701 1.00 8.07 O +ANISOU 1833 O ASP A 226 1137 928 1000 -61 144 43 O +ATOM 1834 CB ASP A 226 4.220 -44.649 10.603 1.00 8.76 C +ANISOU 1834 CB ASP A 226 1328 973 1028 -153 75 -44 C +ATOM 1835 CG ASP A 226 4.608 -43.331 9.963 1.00 8.74 C +ANISOU 1835 CG ASP A 226 1297 1028 997 -160 44 34 C +ATOM 1836 OD1 ASP A 226 5.815 -43.094 9.705 1.00 9.36 O +ANISOU 1836 OD1 ASP A 226 1356 1099 1103 -235 93 101 O +ATOM 1837 OD2 ASP A 226 3.680 -42.553 9.656 1.00 8.78 O +ANISOU 1837 OD2 ASP A 226 1239 1136 959 -172 30 28 O +ATOM 1838 N ASN A 227 6.050 -44.628 13.870 1.00 8.49 N +ANISOU 1838 N ASN A 227 1171 1032 1024 -130 -21 112 N +ATOM 1839 CA ASN A 227 6.329 -43.774 15.034 1.00 8.45 C +ANISOU 1839 CA ASN A 227 1162 998 1050 -57 -119 72 C +ATOM 1840 C ASN A 227 5.051 -43.125 15.571 1.00 8.21 C +ANISOU 1840 C ASN A 227 1165 986 967 -57 -149 41 C +ATOM 1841 O ASN A 227 5.025 -41.981 15.986 1.00 8.67 O +ANISOU 1841 O ASN A 227 1263 1107 925 -60 -113 46 O +ATOM 1842 CB ASN A 227 7.379 -42.723 14.709 1.00 9.31 C +ANISOU 1842 CB ASN A 227 1203 1118 1217 -95 -129 -47 C +ATOM 1843 CG ASN A 227 8.742 -43.333 14.557 1.00 10.57 C +ANISOU 1843 CG ASN A 227 1207 1463 1345 -90 -175 79 C +ATOM 1844 OD1 ASN A 227 9.291 -43.870 15.507 1.00 12.31 O +ANISOU 1844 OD1 ASN A 227 1439 1753 1487 110 -215 198 O +ATOM 1845 ND2 ASN A 227 9.301 -43.254 13.378 1.00 11.91 N +ANISOU 1845 ND2 ASN A 227 1200 1920 1405 193 -181 112 N +ATOM 1846 N GLY A 228 3.973 -43.897 15.584 1.00 8.21 N +ANISOU 1846 N GLY A 228 1224 969 928 -97 -93 125 N +ATOM 1847 CA GLY A 228 2.694 -43.373 16.008 1.00 8.57 C +ANISOU 1847 CA GLY A 228 1163 1119 974 -119 -3 126 C +ATOM 1848 C GLY A 228 2.022 -42.519 14.946 1.00 8.74 C +ANISOU 1848 C GLY A 228 1127 1142 1053 -138 81 137 C +ATOM 1849 O GLY A 228 1.302 -41.589 15.261 1.00 10.71 O +ANISOU 1849 O GLY A 228 1501 1337 1233 134 181 116 O +ATOM 1850 N GLY A 229 2.251 -42.850 13.680 1.00 7.75 N +ANISOU 1850 N GLY A 229 955 1042 948 -178 23 74 N +ATOM 1851 CA GLY A 229 1.574 -42.205 12.569 1.00 8.04 C +ANISOU 1851 CA GLY A 229 962 1192 900 -207 50 132 C +ATOM 1852 C GLY A 229 2.117 -40.853 12.150 1.00 7.31 C +ANISOU 1852 C GLY A 229 893 1056 827 -214 54 147 C +ATOM 1853 O GLY A 229 1.335 -40.007 11.702 1.00 7.81 O +ANISOU 1853 O GLY A 229 909 1149 909 -104 63 216 O +ATOM 1854 N VAL A 230 3.421 -40.608 12.269 1.00 6.47 N +ANISOU 1854 N VAL A 230 849 850 761 -165 42 123 N +ATOM 1855 CA VAL A 230 3.906 -39.253 12.008 1.00 6.58 C +ANISOU 1855 CA VAL A 230 831 967 703 -51 -16 5 C +ATOM 1856 C VAL A 230 3.676 -38.811 10.561 1.00 6.19 C +ANISOU 1856 C VAL A 230 724 960 670 -59 -28 -38 C +ATOM 1857 O VAL A 230 3.453 -37.615 10.324 1.00 6.89 O +ANISOU 1857 O VAL A 230 864 1053 702 -118 -73 8 O +ATOM 1858 CB VAL A 230 5.383 -39.053 12.436 1.00 6.54 C +ANISOU 1858 CB VAL A 230 856 984 644 -112 -53 -53 C +ATOM 1859 CG1 VAL A 230 5.527 -39.326 13.930 1.00 6.67 C +ANISOU 1859 CG1 VAL A 230 950 1061 523 -133 -49 -170 C +ATOM 1860 CG2 VAL A 230 6.339 -39.907 11.635 1.00 6.85 C +ANISOU 1860 CG2 VAL A 230 820 1054 728 -112 -31 41 C +ATOM 1861 N HIS A 231 3.746 -39.750 9.606 1.00 5.87 N +ANISOU 1861 N HIS A 231 772 814 643 -102 -5 4 N +ATOM 1862 CA HIS A 231 3.486 -39.432 8.194 1.00 6.27 C +ANISOU 1862 CA HIS A 231 748 988 649 -149 14 47 C +ATOM 1863 C HIS A 231 2.022 -39.560 7.798 1.00 6.81 C +ANISOU 1863 C HIS A 231 731 1124 731 -208 -48 130 C +ATOM 1864 O HIS A 231 1.666 -39.278 6.657 1.00 8.41 O +ANISOU 1864 O HIS A 231 895 1507 795 -179 -183 130 O +ATOM 1865 CB HIS A 231 4.303 -40.322 7.239 1.00 6.65 C +ANISOU 1865 CB HIS A 231 833 1076 619 -115 42 58 C +ATOM 1866 CG HIS A 231 5.778 -40.171 7.372 1.00 6.56 C +ANISOU 1866 CG HIS A 231 912 1022 559 -92 24 31 C +ATOM 1867 ND1 HIS A 231 6.528 -40.962 8.211 1.00 6.61 N +ANISOU 1867 ND1 HIS A 231 902 1019 590 -153 116 61 N +ATOM 1868 CD2 HIS A 231 6.646 -39.329 6.768 1.00 6.76 C +ANISOU 1868 CD2 HIS A 231 899 1113 557 -64 26 -35 C +ATOM 1869 CE1 HIS A 231 7.794 -40.593 8.145 1.00 6.91 C +ANISOU 1869 CE1 HIS A 231 998 1032 595 -223 115 14 C +ATOM 1870 NE2 HIS A 231 7.893 -39.606 7.270 1.00 6.83 N +ANISOU 1870 NE2 HIS A 231 966 1036 592 -193 72 -94 N +ATOM 1871 N ILE A 232 1.193 -39.970 8.746 1.00 6.72 N +ANISOU 1871 N ILE A 232 699 1057 798 -216 17 64 N +ATOM 1872 CA ILE A 232 -0.234 -40.194 8.553 1.00 7.33 C +ANISOU 1872 CA ILE A 232 766 1121 899 -107 12 -37 C +ATOM 1873 C ILE A 232 -0.997 -39.005 9.140 1.00 6.92 C +ANISOU 1873 C ILE A 232 829 1010 791 -249 -25 27 C +ATOM 1874 O ILE A 232 -1.693 -38.284 8.430 1.00 7.21 O +ANISOU 1874 O ILE A 232 931 1102 705 -204 -145 -30 O +ATOM 1875 CB ILE A 232 -0.658 -41.519 9.218 1.00 8.10 C +ANISOU 1875 CB ILE A 232 822 1100 1154 -192 22 -65 C +ATOM 1876 CG1 ILE A 232 0.090 -42.700 8.587 1.00 8.97 C +ANISOU 1876 CG1 ILE A 232 1000 1104 1304 -148 -44 -37 C +ATOM 1877 CG2 ILE A 232 -2.164 -41.700 9.125 1.00 9.03 C +ANISOU 1877 CG2 ILE A 232 933 1252 1247 -184 17 16 C +ATOM 1878 CD1 ILE A 232 -0.104 -44.019 9.318 1.00 9.89 C +ANISOU 1878 CD1 ILE A 232 1288 1080 1391 -99 -108 -53 C +ATOM 1879 N ASN A 233 -0.838 -38.800 10.444 1.00 6.93 N +ANISOU 1879 N ASN A 233 821 1032 781 -250 4 77 N +ATOM 1880 CA ASN A 233 -1.481 -37.703 11.127 1.00 6.92 C +ANISOU 1880 CA ASN A 233 838 1024 768 -140 -4 6 C +ATOM 1881 C ASN A 233 -0.989 -36.332 10.702 1.00 6.25 C +ANISOU 1881 C ASN A 233 695 964 718 -198 20 -14 C +ATOM 1882 O ASN A 233 -1.644 -35.330 10.987 1.00 6.81 O +ANISOU 1882 O ASN A 233 874 956 758 -24 -5 -148 O +ATOM 1883 CB ASN A 233 -1.343 -37.864 12.639 1.00 7.72 C +ANISOU 1883 CB ASN A 233 977 1092 866 -193 76 -17 C +ATOM 1884 CG ASN A 233 -2.112 -39.055 13.152 1.00 8.98 C +ANISOU 1884 CG ASN A 233 1160 1153 1100 -188 10 9 C +ATOM 1885 OD1 ASN A 233 -3.136 -39.436 12.590 1.00 9.59 O +ANISOU 1885 OD1 ASN A 233 1085 1245 1314 -282 91 193 O +ATOM 1886 ND2 ASN A 233 -1.619 -39.660 14.216 1.00 10.42 N +ANISOU 1886 ND2 ASN A 233 1405 1395 1161 -307 9 158 N +ATOM 1887 N SER A 234 0.142 -36.265 10.008 1.00 6.12 N +ANISOU 1887 N SER A 234 700 952 673 -195 8 1 N +ATOM 1888 CA SER A 234 0.564 -35.008 9.415 1.00 6.55 C +ANISOU 1888 CA SER A 234 810 1016 664 -181 -64 -42 C +ATOM 1889 C SER A 234 -0.515 -34.467 8.483 1.00 6.43 C +ANISOU 1889 C SER A 234 787 946 711 -211 1 11 C +ATOM 1890 O SER A 234 -0.585 -33.275 8.275 1.00 6.84 O +ANISOU 1890 O SER A 234 839 955 805 -142 5 -40 O +ATOM 1891 CB SER A 234 1.862 -35.199 8.656 1.00 6.48 C +ANISOU 1891 CB SER A 234 811 1017 633 -169 -149 -65 C +ATOM 1892 OG SER A 234 1.694 -36.204 7.675 1.00 7.00 O +ANISOU 1892 OG SER A 234 829 1191 641 -109 -72 -86 O +ATOM 1893 N GLY A 235 -1.371 -35.335 7.952 1.00 6.42 N +ANISOU 1893 N GLY A 235 727 1025 688 -91 -42 27 N +ATOM 1894 CA GLY A 235 -2.421 -34.896 7.050 1.00 6.99 C +ANISOU 1894 CA GLY A 235 775 1113 768 -127 -93 -95 C +ATOM 1895 C GLY A 235 -3.364 -33.887 7.691 1.00 7.18 C +ANISOU 1895 C GLY A 235 873 1079 778 -43 5 -4 C +ATOM 1896 O GLY A 235 -3.886 -33.004 7.027 1.00 7.28 O +ANISOU 1896 O GLY A 235 837 1121 806 -77 -78 -75 O +ATOM 1897 N ILE A 236 -3.595 -34.025 8.993 1.00 6.73 N +ANISOU 1897 N ILE A 236 762 1038 756 -136 -24 -80 N +ATOM 1898 CA ILE A 236 -4.506 -33.139 9.699 1.00 7.00 C +ANISOU 1898 CA ILE A 236 789 1116 754 -49 29 -110 C +ATOM 1899 C ILE A 236 -3.945 -31.719 9.728 1.00 7.19 C +ANISOU 1899 C ILE A 236 781 1137 814 -12 -33 -103 C +ATOM 1900 O ILE A 236 -4.673 -30.748 9.502 1.00 7.71 O +ANISOU 1900 O ILE A 236 883 1186 858 -15 -29 -50 O +ATOM 1901 CB ILE A 236 -4.746 -33.678 11.120 1.00 7.84 C +ANISOU 1901 CB ILE A 236 926 1222 832 -77 151 -78 C +ATOM 1902 CG1 ILE A 236 -5.519 -35.007 11.062 1.00 8.67 C +ANISOU 1902 CG1 ILE A 236 1045 1274 976 -171 174 2 C +ATOM 1903 CG2 ILE A 236 -5.505 -32.686 11.982 1.00 8.14 C +ANISOU 1903 CG2 ILE A 236 967 1264 862 -47 186 -131 C +ATOM 1904 CD1 ILE A 236 -5.280 -35.917 12.252 1.00 8.73 C +ANISOU 1904 CD1 ILE A 236 1181 1107 1027 -228 240 -21 C +ATOM 1905 N ILE A 237 -2.647 -31.601 9.998 1.00 6.57 N +ANISOU 1905 N ILE A 237 770 955 773 -31 -112 1 N +ATOM 1906 CA ILE A 237 -1.987 -30.301 10.025 1.00 6.69 C +ANISOU 1906 CA ILE A 237 851 1014 678 -175 -51 -121 C +ATOM 1907 C ILE A 237 -1.731 -29.758 8.606 1.00 6.68 C +ANISOU 1907 C ILE A 237 879 1000 660 -33 -43 -125 C +ATOM 1908 O ILE A 237 -1.901 -28.562 8.352 1.00 6.84 O +ANISOU 1908 O ILE A 237 930 992 677 -79 -55 -153 O +ATOM 1909 CB ILE A 237 -0.689 -30.387 10.827 1.00 7.03 C +ANISOU 1909 CB ILE A 237 876 1153 643 -97 -37 -21 C +ATOM 1910 CG1 ILE A 237 -0.959 -30.929 12.238 1.00 7.73 C +ANISOU 1910 CG1 ILE A 237 940 1390 609 -174 53 22 C +ATOM 1911 CG2 ILE A 237 0.004 -29.026 10.849 1.00 6.79 C +ANISOU 1911 CG2 ILE A 237 842 1096 640 -136 -33 -94 C +ATOM 1912 CD1 ILE A 237 -2.067 -30.219 12.992 1.00 8.69 C +ANISOU 1912 CD1 ILE A 237 1156 1534 612 -210 -20 3 C +ATOM 1913 N ASN A 238 -1.360 -30.631 7.674 1.00 5.99 N +ANISOU 1913 N ASN A 238 743 889 644 0 -55 -67 N +ATOM 1914 CA ASN A 238 -1.194 -30.235 6.285 1.00 6.21 C +ANISOU 1914 CA ASN A 238 730 967 663 17 -135 -50 C +ATOM 1915 C ASN A 238 -2.485 -29.649 5.731 1.00 6.28 C +ANISOU 1915 C ASN A 238 741 911 732 -95 -138 -112 C +ATOM 1916 O ASN A 238 -2.458 -28.634 5.033 1.00 6.71 O +ANISOU 1916 O ASN A 238 814 1017 717 -45 -93 -15 O +ATOM 1917 CB ASN A 238 -0.752 -31.412 5.417 1.00 6.53 C +ANISOU 1917 CB ASN A 238 849 998 634 -19 -102 -60 C +ATOM 1918 CG ASN A 238 0.713 -31.758 5.582 1.00 6.32 C +ANISOU 1918 CG ASN A 238 784 1030 588 -16 -111 -103 C +ATOM 1919 OD1 ASN A 238 1.505 -30.995 6.139 1.00 6.99 O +ANISOU 1919 OD1 ASN A 238 828 1206 623 50 -139 -127 O +ATOM 1920 ND2 ASN A 238 1.082 -32.909 5.071 1.00 6.41 N +ANISOU 1920 ND2 ASN A 238 664 1160 611 1 -106 -113 N +ATOM 1921 N LYS A 239 -3.611 -30.279 6.052 1.00 6.84 N +ANISOU 1921 N LYS A 239 734 1036 829 -17 -121 -101 N +ATOM 1922 CA LYS A 239 -4.898 -29.773 5.604 1.00 7.04 C +ANISOU 1922 CA LYS A 239 717 1043 916 -58 -161 -155 C +ATOM 1923 C LYS A 239 -5.179 -28.401 6.212 1.00 7.04 C +ANISOU 1923 C LYS A 239 738 1124 813 -23 -92 -102 C +ATOM 1924 O LYS A 239 -5.650 -27.499 5.521 1.00 7.57 O +ANISOU 1924 O LYS A 239 865 1180 834 47 -73 -35 O +ATOM 1925 CB LYS A 239 -6.017 -30.754 5.960 1.00 7.94 C +ANISOU 1925 CB LYS A 239 812 1127 1078 30 -114 -324 C +ATOM 1926 CG LYS A 239 -7.405 -30.302 5.487 1.00 8.59 C +ANISOU 1926 CG LYS A 239 829 1219 1215 16 -196 -382 C +ATOM 1927 CD LYS A 239 -7.590 -30.502 3.991 1.00 10.28 C +ANISOU 1927 CD LYS A 239 893 1669 1344 85 -416 -564 C +ATOM 1928 CE LYS A 239 -8.832 -29.776 3.486 1.00 12.85 C +ANISOU 1928 CE LYS A 239 1165 2287 1431 345 -523 -722 C +ATOM 1929 NZ LYS A 239 -9.206 -30.183 2.105 1.00 15.20 N +ANISOU 1929 NZ LYS A 239 1352 2891 1531 575 -538 -809 N +ATOM 1930 N ALA A 240 -4.900 -28.225 7.499 1.00 7.11 N +ANISOU 1930 N ALA A 240 822 1070 811 27 -23 -138 N +ATOM 1931 CA ALA A 240 -5.086 -26.928 8.132 1.00 7.22 C +ANISOU 1931 CA ALA A 240 922 1047 773 -17 74 -66 C +ATOM 1932 C ALA A 240 -4.235 -25.849 7.454 1.00 7.04 C +ANISOU 1932 C ALA A 240 856 1123 696 41 -38 2 C +ATOM 1933 O ALA A 240 -4.707 -24.744 7.214 1.00 7.37 O +ANISOU 1933 O ALA A 240 947 1124 730 52 -111 -26 O +ATOM 1934 CB ALA A 240 -4.768 -27.019 9.616 1.00 8.06 C +ANISOU 1934 CB ALA A 240 1081 1133 848 97 110 -63 C +ATOM 1935 N ALA A 241 -2.984 -26.170 7.151 1.00 6.87 N +ANISOU 1935 N ALA A 241 749 1140 721 23 -47 -11 N +ATOM 1936 CA ALA A 241 -2.082 -25.220 6.497 1.00 7.15 C +ANISOU 1936 CA ALA A 241 795 1137 785 -28 -107 7 C +ATOM 1937 C ALA A 241 -2.587 -24.860 5.103 1.00 7.22 C +ANISOU 1937 C ALA A 241 805 1137 803 18 -118 -99 C +ATOM 1938 O ALA A 241 -2.619 -23.684 4.720 1.00 7.20 O +ANISOU 1938 O ALA A 241 888 1061 788 138 -142 -27 O +ATOM 1939 CB ALA A 241 -0.677 -25.813 6.428 1.00 7.23 C +ANISOU 1939 CB ALA A 241 860 1090 798 -78 -127 116 C +ATOM 1940 N TYR A 242 -3.002 -25.873 4.348 1.00 6.97 N +ANISOU 1940 N TYR A 242 781 1143 724 114 -118 -129 N +ATOM 1941 CA TYR A 242 -3.577 -25.664 3.035 1.00 7.32 C +ANISOU 1941 CA TYR A 242 889 1150 744 130 -137 -42 C +ATOM 1942 C TYR A 242 -4.780 -24.727 3.125 1.00 7.15 C +ANISOU 1942 C TYR A 242 884 1062 770 78 -167 50 C +ATOM 1943 O TYR A 242 -4.925 -23.790 2.328 1.00 7.71 O +ANISOU 1943 O TYR A 242 986 1229 715 141 -166 106 O +ATOM 1944 CB TYR A 242 -4.010 -26.991 2.417 1.00 8.81 C +ANISOU 1944 CB TYR A 242 1059 1400 889 179 -138 -64 C +ATOM 1945 CG TYR A 242 -4.777 -26.786 1.138 1.00 9.26 C +ANISOU 1945 CG TYR A 242 1023 1480 1016 -41 -245 -163 C +ATOM 1946 CD1 TYR A 242 -4.118 -26.538 -0.051 1.00 10.31 C +ANISOU 1946 CD1 TYR A 242 1099 1728 1092 -25 -306 -197 C +ATOM 1947 CD2 TYR A 242 -6.164 -26.786 1.125 1.00 10.70 C +ANISOU 1947 CD2 TYR A 242 1186 1750 1128 56 -291 -195 C +ATOM 1948 CE1 TYR A 242 -4.805 -26.325 -1.217 1.00 11.78 C +ANISOU 1948 CE1 TYR A 242 1314 1957 1203 44 -383 -213 C +ATOM 1949 CE2 TYR A 242 -6.861 -26.559 -0.035 1.00 12.18 C +ANISOU 1949 CE2 TYR A 242 1308 2065 1254 15 -380 -170 C +ATOM 1950 CZ TYR A 242 -6.181 -26.328 -1.201 1.00 13.14 C +ANISOU 1950 CZ TYR A 242 1487 2225 1281 70 -526 -148 C +ATOM 1951 OH TYR A 242 -6.884 -26.094 -2.360 1.00 16.54 O +ANISOU 1951 OH TYR A 242 1936 2865 1484 380 -737 -37 O +ATOM 1952 N LEU A 243 -5.658 -24.965 4.092 1.00 7.56 N +ANISOU 1952 N LEU A 243 845 1242 787 128 -116 13 N +ATOM 1953 CA LEU A 243 -6.839 -24.111 4.236 1.00 7.72 C +ANISOU 1953 CA LEU A 243 927 1211 796 18 -157 -53 C +ATOM 1954 C LEU A 243 -6.463 -22.674 4.618 1.00 7.65 C +ANISOU 1954 C LEU A 243 886 1194 828 54 -137 -54 C +ATOM 1955 O LEU A 243 -7.045 -21.720 4.103 1.00 8.16 O +ANISOU 1955 O LEU A 243 903 1248 949 174 -110 78 O +ATOM 1956 CB LEU A 243 -7.805 -24.697 5.265 1.00 8.10 C +ANISOU 1956 CB LEU A 243 965 1290 823 68 -109 -74 C +ATOM 1957 CG LEU A 243 -8.542 -25.964 4.830 1.00 8.36 C +ANISOU 1957 CG LEU A 243 882 1421 872 72 -98 -82 C +ATOM 1958 CD1 LEU A 243 -9.212 -26.600 6.021 1.00 8.32 C +ANISOU 1958 CD1 LEU A 243 891 1434 835 102 -72 -81 C +ATOM 1959 CD2 LEU A 243 -9.550 -25.699 3.703 1.00 9.73 C +ANISOU 1959 CD2 LEU A 243 1080 1628 990 94 -187 -79 C +ATOM 1960 N ILE A 244 -5.514 -22.503 5.530 1.00 7.48 N +ANISOU 1960 N ILE A 244 872 1151 818 59 -127 -89 N +ATOM 1961 CA ILE A 244 -5.072 -21.160 5.882 1.00 7.75 C +ANISOU 1961 CA ILE A 244 877 1188 880 69 -191 -43 C +ATOM 1962 C ILE A 244 -4.619 -20.400 4.632 1.00 7.95 C +ANISOU 1962 C ILE A 244 836 1264 921 211 -230 -53 C +ATOM 1963 O ILE A 244 -4.974 -19.243 4.442 1.00 7.94 O +ANISOU 1963 O ILE A 244 885 1123 1009 131 -201 47 O +ATOM 1964 CB ILE A 244 -3.946 -21.222 6.924 1.00 7.57 C +ANISOU 1964 CB ILE A 244 821 1180 876 -16 -125 17 C +ATOM 1965 CG1 ILE A 244 -4.508 -21.695 8.269 1.00 7.88 C +ANISOU 1965 CG1 ILE A 244 928 1243 823 -65 1 40 C +ATOM 1966 CG2 ILE A 244 -3.291 -19.858 7.103 1.00 8.38 C +ANISOU 1966 CG2 ILE A 244 1002 1305 877 156 -186 -44 C +ATOM 1967 CD1 ILE A 244 -3.437 -22.057 9.284 1.00 8.35 C +ANISOU 1967 CD1 ILE A 244 1134 1242 797 83 -21 -60 C +ATOM 1968 N SER A 245 -3.830 -21.051 3.784 1.00 7.60 N +ANISOU 1968 N SER A 245 785 1229 874 89 -119 81 N +ATOM 1969 CA SER A 245 -3.321 -20.389 2.596 1.00 8.11 C +ANISOU 1969 CA SER A 245 943 1215 925 93 -107 82 C +ATOM 1970 C SER A 245 -4.391 -20.184 1.522 1.00 8.36 C +ANISOU 1970 C SER A 245 1000 1189 986 79 -190 194 C +ATOM 1971 O SER A 245 -4.577 -19.072 1.017 1.00 8.96 O +ANISOU 1971 O SER A 245 1128 1183 1094 164 -139 147 O +ATOM 1972 CB SER A 245 -2.157 -21.199 2.024 1.00 8.94 C +ANISOU 1972 CB SER A 245 1047 1370 981 167 -57 102 C +ATOM 1973 OG SER A 245 -1.620 -20.594 0.870 1.00 9.45 O +ANISOU 1973 OG SER A 245 1176 1373 1039 97 -11 107 O +ATOM 1974 N GLN A 246 -5.095 -21.253 1.172 1.00 8.51 N +ANISOU 1974 N GLN A 246 951 1333 949 -19 -295 157 N +ATOM 1975 CA GLN A 246 -5.918 -21.297 -0.032 1.00 9.41 C +ANISOU 1975 CA GLN A 246 1031 1576 966 35 -361 10 C +ATOM 1976 C GLN A 246 -7.404 -21.144 0.225 1.00 9.66 C +ANISOU 1976 C GLN A 246 962 1658 1052 45 -369 2 C +ATOM 1977 O GLN A 246 -8.157 -20.919 -0.712 1.00 10.97 O +ANISOU 1977 O GLN A 246 1025 2019 1126 117 -385 18 O +ATOM 1978 CB GLN A 246 -5.686 -22.614 -0.775 1.00 10.37 C +ANISOU 1978 CB GLN A 246 1194 1810 936 146 -422 -21 C +ATOM 1979 CG GLN A 246 -4.238 -22.854 -1.161 1.00 12.01 C +ANISOU 1979 CG GLN A 246 1387 2216 959 212 -408 -46 C +ATOM 1980 CD GLN A 246 -3.698 -21.723 -1.983 1.00 13.64 C +ANISOU 1980 CD GLN A 246 1564 2664 956 124 -417 177 C +ATOM 1981 OE1 GLN A 246 -2.854 -20.962 -1.524 1.00 13.10 O +ANISOU 1981 OE1 GLN A 246 1736 2390 852 128 -372 264 O +ATOM 1982 NE2 GLN A 246 -4.220 -21.567 -3.190 1.00 16.47 N +ANISOU 1982 NE2 GLN A 246 1832 3298 1130 102 -376 286 N +ATOM 1983 N GLY A 247 -7.818 -21.292 1.479 1.00 9.30 N +ANISOU 1983 N GLY A 247 865 1580 1089 57 -355 40 N +ATOM 1984 CA GLY A 247 -9.226 -21.265 1.846 1.00 9.75 C +ANISOU 1984 CA GLY A 247 876 1658 1171 77 -299 -26 C +ATOM 1985 C GLY A 247 -9.956 -22.527 1.435 1.00 9.33 C +ANISOU 1985 C GLY A 247 831 1565 1150 160 -174 -36 C +ATOM 1986 O GLY A 247 -9.404 -23.419 0.788 1.00 10.97 O +ANISOU 1986 O GLY A 247 1167 1673 1329 190 -38 -158 O +ATOM 1987 N GLY A 248 -11.221 -22.586 1.818 1.00 9.16 N +ANISOU 1987 N GLY A 248 869 1605 1007 84 -158 -80 N +ATOM 1988 CA GLY A 248 -12.102 -23.673 1.421 1.00 9.16 C +ANISOU 1988 CA GLY A 248 1048 1507 926 -62 -246 -129 C +ATOM 1989 C GLY A 248 -13.143 -23.946 2.477 1.00 9.03 C +ANISOU 1989 C GLY A 248 1134 1436 861 2 -178 -209 C +ATOM 1990 O GLY A 248 -13.070 -23.374 3.557 1.00 10.03 O +ANISOU 1990 O GLY A 248 1319 1576 915 -208 -51 -204 O +ATOM 1991 N THR A 249 -14.105 -24.808 2.176 1.00 8.68 N +ANISOU 1991 N THR A 249 980 1544 773 43 -104 -159 N +ATOM 1992 CA THR A 249 -15.073 -25.249 3.173 1.00 8.62 C +ANISOU 1992 CA THR A 249 1056 1520 698 115 -149 -42 C +ATOM 1993 C THR A 249 -14.884 -26.748 3.358 1.00 8.51 C +ANISOU 1993 C THR A 249 985 1536 713 99 -176 -168 C +ATOM 1994 O THR A 249 -14.952 -27.510 2.401 1.00 9.56 O +ANISOU 1994 O THR A 249 1166 1696 772 139 -236 -238 O +ATOM 1995 CB THR A 249 -16.514 -24.892 2.798 1.00 8.91 C +ANISOU 1995 CB THR A 249 1063 1655 667 185 -237 -30 C +ATOM 1996 OG1 THR A 249 -16.614 -23.480 2.595 1.00 9.70 O +ANISOU 1996 OG1 THR A 249 1024 1870 790 187 -279 58 O +ATOM 1997 CG2 THR A 249 -17.464 -25.300 3.891 1.00 9.02 C +ANISOU 1997 CG2 THR A 249 991 1698 739 -12 -274 -100 C +ATOM 1998 N HIS A 250 -14.615 -27.150 4.595 1.00 8.02 N +ANISOU 1998 N HIS A 250 883 1420 745 30 -192 -238 N +ATOM 1999 CA HIS A 250 -14.191 -28.499 4.915 1.00 8.53 C +ANISOU 1999 CA HIS A 250 938 1461 843 124 -289 -218 C +ATOM 2000 C HIS A 250 -15.028 -28.960 6.100 1.00 8.61 C +ANISOU 2000 C HIS A 250 934 1528 810 112 -296 -192 C +ATOM 2001 O HIS A 250 -15.031 -28.317 7.155 1.00 9.22 O +ANISOU 2001 O HIS A 250 1047 1654 802 196 -248 -186 O +ATOM 2002 CB HIS A 250 -12.692 -28.470 5.234 1.00 8.81 C +ANISOU 2002 CB HIS A 250 912 1334 1101 34 -301 -232 C +ATOM 2003 CG HIS A 250 -12.092 -29.793 5.541 1.00 10.00 C +ANISOU 2003 CG HIS A 250 976 1478 1344 -26 -402 -379 C +ATOM 2004 ND1 HIS A 250 -12.143 -30.857 4.671 1.00 11.35 N +ANISOU 2004 ND1 HIS A 250 1077 1761 1476 134 -553 -512 N +ATOM 2005 CD2 HIS A 250 -11.361 -30.201 6.603 1.00 10.30 C +ANISOU 2005 CD2 HIS A 250 1027 1404 1482 27 -404 -286 C +ATOM 2006 CE1 HIS A 250 -11.481 -31.870 5.194 1.00 11.56 C +ANISOU 2006 CE1 HIS A 250 1241 1556 1595 273 -523 -434 C +ATOM 2007 NE2 HIS A 250 -11.004 -31.498 6.368 1.00 10.71 N +ANISOU 2007 NE2 HIS A 250 1063 1431 1574 179 -443 -251 N +ATOM 2008 N TYR A 251 -15.754 -30.056 5.904 1.00 8.96 N +ANISOU 2008 N TYR A 251 980 1568 857 156 -199 -102 N +ATOM 2009 CA TYR A 251 -16.755 -30.540 6.855 1.00 10.12 C +ANISOU 2009 CA TYR A 251 1179 1682 985 -61 -61 22 C +ATOM 2010 C TYR A 251 -17.655 -29.389 7.322 1.00 10.50 C +ANISOU 2010 C TYR A 251 1142 1839 1007 -88 78 69 C +ATOM 2011 O TYR A 251 -18.029 -29.277 8.499 1.00 11.79 O +ANISOU 2011 O TYR A 251 1342 2095 1042 55 213 83 O +ATOM 2012 CB TYR A 251 -16.120 -31.275 8.040 1.00 11.70 C +ANISOU 2012 CB TYR A 251 1536 1792 1117 110 -44 23 C +ATOM 2013 CG TYR A 251 -15.378 -32.562 7.681 1.00 12.56 C +ANISOU 2013 CG TYR A 251 1865 1594 1312 63 -90 -39 C +ATOM 2014 CD1 TYR A 251 -16.033 -33.778 7.521 1.00 13.97 C +ANISOU 2014 CD1 TYR A 251 1936 1942 1429 62 -16 66 C +ATOM 2015 CD2 TYR A 251 -14.005 -32.544 7.516 1.00 13.92 C +ANISOU 2015 CD2 TYR A 251 2002 1757 1529 207 -51 -65 C +ATOM 2016 CE1 TYR A 251 -15.312 -34.934 7.209 1.00 13.21 C +ANISOU 2016 CE1 TYR A 251 1721 1777 1519 -247 -27 9 C +ATOM 2017 CE2 TYR A 251 -13.288 -33.682 7.212 1.00 14.95 C +ANISOU 2017 CE2 TYR A 251 2013 1995 1673 143 -55 -89 C +ATOM 2018 CZ TYR A 251 -13.935 -34.862 7.067 1.00 14.03 C +ANISOU 2018 CZ TYR A 251 1744 1838 1747 -201 -37 -127 C +ATOM 2019 OH TYR A 251 -13.225 -36.010 6.761 1.00 15.26 O +ANISOU 2019 OH TYR A 251 1588 2202 2010 -227 -60 -187 O +ATOM 2020 N GLY A 252 -18.036 -28.553 6.360 1.00 10.09 N +ANISOU 2020 N GLY A 252 1033 1733 1069 -152 1 -33 N +ATOM 2021 CA GLY A 252 -18.971 -27.474 6.601 1.00 10.35 C +ANISOU 2021 CA GLY A 252 1006 1774 1154 -44 -18 -177 C +ATOM 2022 C GLY A 252 -18.391 -26.204 7.191 1.00 10.68 C +ANISOU 2022 C GLY A 252 1064 1799 1195 217 -29 -356 C +ATOM 2023 O GLY A 252 -19.110 -25.227 7.352 1.00 12.52 O +ANISOU 2023 O GLY A 252 1096 2076 1584 232 -85 -433 O +ATOM 2024 N VAL A 253 -17.101 -26.201 7.498 1.00 8.93 N +ANISOU 2024 N VAL A 253 969 1500 922 144 -78 -210 N +ATOM 2025 CA VAL A 253 -16.446 -25.055 8.127 1.00 9.32 C +ANISOU 2025 CA VAL A 253 1095 1643 803 322 -136 -188 C +ATOM 2026 C VAL A 253 -15.684 -24.279 7.061 1.00 8.78 C +ANISOU 2026 C VAL A 253 961 1580 795 235 -147 -206 C +ATOM 2027 O VAL A 253 -14.789 -24.822 6.404 1.00 8.93 O +ANISOU 2027 O VAL A 253 938 1631 825 155 -78 -248 O +ATOM 2028 CB VAL A 253 -15.477 -25.491 9.245 1.00 9.80 C +ANISOU 2028 CB VAL A 253 1304 1664 756 148 -142 -174 C +ATOM 2029 CG1 VAL A 253 -14.763 -24.280 9.852 1.00 9.70 C +ANISOU 2029 CG1 VAL A 253 1313 1688 685 194 -197 -156 C +ATOM 2030 CG2 VAL A 253 -16.214 -26.281 10.322 1.00 11.29 C +ANISOU 2030 CG2 VAL A 253 1531 1943 817 252 -131 -140 C +ATOM 2031 N SER A 254 -16.048 -23.017 6.868 1.00 8.90 N +ANISOU 2031 N SER A 254 962 1537 883 188 -9 -173 N +ATOM 2032 CA SER A 254 -15.441 -22.207 5.817 1.00 9.43 C +ANISOU 2032 CA SER A 254 1021 1542 1021 33 -62 -191 C +ATOM 2033 C SER A 254 -14.232 -21.444 6.338 1.00 10.43 C +ANISOU 2033 C SER A 254 1059 1784 1121 -6 -56 -453 C +ATOM 2034 O SER A 254 -14.274 -20.828 7.397 1.00 12.91 O +ANISOU 2034 O SER A 254 1332 2245 1330 -139 176 -683 O +ATOM 2035 CB SER A 254 -16.453 -21.205 5.251 1.00 10.02 C +ANISOU 2035 CB SER A 254 1158 1505 1143 64 -133 -92 C +ATOM 2036 OG SER A 254 -17.529 -21.856 4.601 1.00 10.86 O +ANISOU 2036 OG SER A 254 1289 1594 1242 58 -250 -46 O +ATOM 2037 N VAL A 255 -13.169 -21.438 5.554 1.00 9.48 N +ANISOU 2037 N VAL A 255 960 1549 1092 29 -75 -276 N +ATOM 2038 CA VAL A 255 -11.921 -20.761 5.891 1.00 9.30 C +ANISOU 2038 CA VAL A 255 834 1469 1232 20 -53 -267 C +ATOM 2039 C VAL A 255 -11.606 -19.759 4.801 1.00 10.01 C +ANISOU 2039 C VAL A 255 914 1416 1475 26 -151 -321 C +ATOM 2040 O VAL A 255 -11.635 -20.097 3.610 1.00 10.32 O +ANISOU 2040 O VAL A 255 1077 1448 1396 140 -216 -157 O +ATOM 2041 CB VAL A 255 -10.765 -21.779 5.986 1.00 9.06 C +ANISOU 2041 CB VAL A 255 917 1364 1163 23 -72 -156 C +ATOM 2042 CG1 VAL A 255 -9.468 -21.085 6.442 1.00 10.18 C +ANISOU 2042 CG1 VAL A 255 970 1655 1243 134 -125 -229 C +ATOM 2043 CG2 VAL A 255 -11.145 -22.921 6.916 1.00 9.94 C +ANISOU 2043 CG2 VAL A 255 1197 1453 1126 226 23 -123 C +ATOM 2044 N VAL A 256 -11.334 -18.524 5.191 1.00 11.06 N +ANISOU 2044 N VAL A 256 963 1501 1740 70 -101 -109 N +ATOM 2045 CA VAL A 256 -10.911 -17.508 4.243 1.00 12.04 C +ANISOU 2045 CA VAL A 256 1066 1523 1985 192 -28 59 C +ATOM 2046 C VAL A 256 -9.388 -17.597 4.061 1.00 11.40 C +ANISOU 2046 C VAL A 256 972 1555 1804 179 -189 37 C +ATOM 2047 O VAL A 256 -8.629 -17.436 5.010 1.00 11.12 O +ANISOU 2047 O VAL A 256 962 1570 1694 61 -221 -85 O +ATOM 2048 CB VAL A 256 -11.303 -16.124 4.769 1.00 14.33 C +ANISOU 2048 CB VAL A 256 1259 1800 2387 295 196 124 C +ATOM 2049 CG1 VAL A 256 -10.708 -15.029 3.908 1.00 15.62 C +ANISOU 2049 CG1 VAL A 256 1475 1916 2542 446 284 245 C +ATOM 2050 CG2 VAL A 256 -12.832 -15.995 4.838 1.00 15.40 C +ANISOU 2050 CG2 VAL A 256 1312 2005 2535 394 185 57 C +ATOM 2051 N GLY A 257 -8.931 -17.893 2.848 1.00 10.88 N +ANISOU 2051 N GLY A 257 914 1520 1699 110 -268 139 N +ATOM 2052 CA GLY A 257 -7.509 -18.015 2.581 1.00 10.63 C +ANISOU 2052 CA GLY A 257 958 1460 1622 95 -292 225 C +ATOM 2053 C GLY A 257 -6.778 -16.694 2.681 1.00 10.50 C +ANISOU 2053 C GLY A 257 1070 1380 1538 196 -305 321 C +ATOM 2054 O GLY A 257 -7.316 -15.643 2.300 1.00 11.92 O +ANISOU 2054 O GLY A 257 1313 1526 1692 310 -422 460 O +ATOM 2055 N ILE A 258 -5.549 -16.748 3.191 1.00 9.21 N +ANISOU 2055 N ILE A 258 935 1210 1353 250 -134 192 N +ATOM 2056 CA ILE A 258 -4.705 -15.562 3.337 1.00 9.16 C +ANISOU 2056 CA ILE A 258 1009 1197 1275 100 -171 42 C +ATOM 2057 C ILE A 258 -3.421 -15.624 2.516 1.00 9.02 C +ANISOU 2057 C ILE A 258 1132 1125 1170 122 -155 26 C +ATOM 2058 O ILE A 258 -2.653 -14.660 2.512 1.00 9.34 O +ANISOU 2058 O ILE A 258 1207 1152 1190 165 -82 -17 O +ATOM 2059 CB ILE A 258 -4.374 -15.265 4.816 1.00 9.24 C +ANISOU 2059 CB ILE A 258 1071 1132 1308 90 -150 -19 C +ATOM 2060 CG1 ILE A 258 -3.538 -16.392 5.430 1.00 9.25 C +ANISOU 2060 CG1 ILE A 258 1173 1105 1236 105 -304 -93 C +ATOM 2061 CG2 ILE A 258 -5.665 -15.049 5.613 1.00 10.43 C +ANISOU 2061 CG2 ILE A 258 1214 1341 1408 262 -1 -30 C +ATOM 2062 CD1 ILE A 258 -3.133 -16.162 6.874 1.00 9.79 C +ANISOU 2062 CD1 ILE A 258 1276 1238 1207 79 -237 -21 C +ATOM 2063 N GLY A 259 -3.207 -16.731 1.807 1.00 9.02 N +ANISOU 2063 N GLY A 259 1010 1271 1147 134 -94 141 N +ATOM 2064 CA GLY A 259 -2.089 -16.868 0.890 1.00 9.02 C +ANISOU 2064 CA GLY A 259 1072 1281 1073 223 -91 117 C +ATOM 2065 C GLY A 259 -0.858 -17.513 1.511 1.00 8.64 C +ANISOU 2065 C GLY A 259 1108 1219 957 210 -151 105 C +ATOM 2066 O GLY A 259 -0.687 -17.594 2.742 1.00 8.74 O +ANISOU 2066 O GLY A 259 1150 1176 995 118 -3 94 O +ATOM 2067 N ARG A 260 0.029 -17.950 0.626 1.00 8.99 N +ANISOU 2067 N ARG A 260 1121 1354 940 236 -150 181 N +ATOM 2068 CA ARG A 260 1.192 -18.749 1.005 1.00 9.30 C +ANISOU 2068 CA ARG A 260 1171 1301 1062 311 -169 17 C +ATOM 2069 C ARG A 260 2.206 -17.983 1.837 1.00 8.14 C +ANISOU 2069 C ARG A 260 1059 1136 898 194 -45 137 C +ATOM 2070 O ARG A 260 2.790 -18.544 2.766 1.00 8.50 O +ANISOU 2070 O ARG A 260 1107 1294 828 297 -92 160 O +ATOM 2071 CB ARG A 260 1.914 -19.269 -0.251 1.00 12.32 C +ANISOU 2071 CB ARG A 260 1508 1750 1424 621 -249 -203 C +ATOM 2072 CG ARG A 260 1.198 -20.332 -0.990 1.00 15.32 C +ANISOU 2072 CG ARG A 260 2010 2055 1756 568 -185 -199 C +ATOM 2073 CD ARG A 260 1.929 -20.755 -2.269 1.00 18.63 C +ANISOU 2073 CD ARG A 260 2616 2426 2038 943 -127 -394 C +ATOM 2074 NE ARG A 260 2.383 -19.658 -3.143 1.00 21.61 N +ANISOU 2074 NE ARG A 260 3151 2797 2263 1414 -274 -565 N +ATOM 2075 CZ ARG A 260 1.729 -19.189 -4.200 1.00 24.47 C +ANISOU 2075 CZ ARG A 260 3513 3260 2525 1358 -338 -520 C +ATOM 2076 NH1 ARG A 260 0.542 -19.662 -4.517 1.00 24.32 N +ANISOU 2076 NH1 ARG A 260 3317 3377 2546 1239 -418 -660 N +ATOM 2077 NH2 ARG A 260 2.261 -18.215 -4.934 1.00 25.73 N +ANISOU 2077 NH2 ARG A 260 3701 3438 2636 1317 -428 -337 N +ATOM 2078 N ASP A 261 2.455 -16.728 1.492 1.00 8.57 N +ANISOU 2078 N ASP A 261 1145 1199 912 167 13 212 N +ATOM 2079 CA ASP A 261 3.479 -15.971 2.182 1.00 8.63 C +ANISOU 2079 CA ASP A 261 1106 1201 972 74 57 242 C +ATOM 2080 C ASP A 261 3.113 -15.822 3.654 1.00 7.65 C +ANISOU 2080 C ASP A 261 901 1156 849 112 -58 128 C +ATOM 2081 O ASP A 261 3.955 -15.987 4.523 1.00 7.67 O +ANISOU 2081 O ASP A 261 852 1238 824 60 -134 85 O +ATOM 2082 CB ASP A 261 3.709 -14.604 1.528 1.00 10.56 C +ANISOU 2082 CB ASP A 261 1366 1432 1215 7 88 397 C +ATOM 2083 CG ASP A 261 4.271 -14.700 0.118 1.00 13.94 C +ANISOU 2083 CG ASP A 261 1880 1850 1568 341 209 551 C +ATOM 2084 OD1 ASP A 261 4.670 -15.799 -0.317 1.00 14.83 O +ANISOU 2084 OD1 ASP A 261 1972 1993 1670 420 289 581 O +ATOM 2085 OD2 ASP A 261 4.315 -13.642 -0.554 1.00 17.10 O +ANISOU 2085 OD2 ASP A 261 2400 2355 1741 559 304 679 O +ATOM 2086 N LYS A 262 1.853 -15.503 3.939 1.00 7.84 N +ANISOU 2086 N LYS A 262 974 1147 857 173 -33 83 N +ATOM 2087 CA LYS A 262 1.428 -15.336 5.314 1.00 8.01 C +ANISOU 2087 CA LYS A 262 1007 1153 884 157 -113 25 C +ATOM 2088 C LYS A 262 1.376 -16.676 6.048 1.00 7.86 C +ANISOU 2088 C LYS A 262 1040 1115 832 124 -108 -60 C +ATOM 2089 O LYS A 262 1.756 -16.754 7.209 1.00 7.94 O +ANISOU 2089 O LYS A 262 1041 1157 820 142 -49 -39 O +ATOM 2090 CB LYS A 262 0.078 -14.618 5.371 1.00 9.04 C +ANISOU 2090 CB LYS A 262 1148 1223 1065 148 -142 53 C +ATOM 2091 CG LYS A 262 0.190 -13.164 4.902 1.00 9.82 C +ANISOU 2091 CG LYS A 262 1368 1163 1202 262 -76 62 C +ATOM 2092 CD LYS A 262 -1.150 -12.449 4.853 1.00 11.15 C +ANISOU 2092 CD LYS A 262 1656 1240 1341 448 -33 35 C +ATOM 2093 CE LYS A 262 -1.012 -10.998 4.474 1.00 12.34 C +ANISOU 2093 CE LYS A 262 1872 1322 1493 476 -32 88 C +ATOM 2094 NZ LYS A 262 -2.347 -10.380 4.394 1.00 14.10 N +ANISOU 2094 NZ LYS A 262 2163 1577 1615 658 -79 83 N +ATOM 2095 N LEU A 263 0.972 -17.746 5.364 1.00 7.64 N +ANISOU 2095 N LEU A 263 1076 1015 811 153 -90 -67 N +ATOM 2096 CA LEU A 263 1.078 -19.080 5.953 1.00 7.02 C +ANISOU 2096 CA LEU A 263 933 1007 728 83 -30 -58 C +ATOM 2097 C LEU A 263 2.513 -19.334 6.409 1.00 6.71 C +ANISOU 2097 C LEU A 263 928 1000 622 13 -92 -41 C +ATOM 2098 O LEU A 263 2.758 -19.747 7.532 1.00 6.83 O +ANISOU 2098 O LEU A 263 943 1075 576 -31 -146 3 O +ATOM 2099 CB LEU A 263 0.679 -20.160 4.948 1.00 7.29 C +ANISOU 2099 CB LEU A 263 926 1101 742 -22 -60 -16 C +ATOM 2100 CG LEU A 263 0.951 -21.587 5.429 1.00 7.52 C +ANISOU 2100 CG LEU A 263 869 1213 775 -108 -45 -73 C +ATOM 2101 CD1 LEU A 263 0.022 -21.982 6.570 1.00 9.03 C +ANISOU 2101 CD1 LEU A 263 1146 1359 927 -20 115 -52 C +ATOM 2102 CD2 LEU A 263 0.839 -22.575 4.297 1.00 7.87 C +ANISOU 2102 CD2 LEU A 263 905 1290 796 -24 -104 -121 C +ATOM 2103 N GLY A 264 3.468 -19.086 5.531 1.00 6.69 N +ANISOU 2103 N GLY A 264 997 990 557 46 -88 19 N +ATOM 2104 CA GLY A 264 4.858 -19.316 5.862 1.00 7.13 C +ANISOU 2104 CA GLY A 264 1007 1094 608 112 -72 -63 C +ATOM 2105 C GLY A 264 5.346 -18.474 7.018 1.00 7.02 C +ANISOU 2105 C GLY A 264 961 1098 607 119 -61 33 C +ATOM 2106 O GLY A 264 6.093 -18.948 7.869 1.00 6.99 O +ANISOU 2106 O GLY A 264 985 1079 591 109 21 60 O +ATOM 2107 N LYS A 265 4.940 -17.206 7.063 1.00 7.00 N +ANISOU 2107 N LYS A 265 892 1120 647 117 -96 -47 N +ATOM 2108 CA LYS A 265 5.365 -16.348 8.159 1.00 7.89 C +ANISOU 2108 CA LYS A 265 984 1113 900 10 -56 -209 C +ATOM 2109 C LYS A 265 4.803 -16.852 9.479 1.00 7.29 C +ANISOU 2109 C LYS A 265 895 1046 830 8 -60 -233 C +ATOM 2110 O LYS A 265 5.495 -16.879 10.493 1.00 7.42 O +ANISOU 2110 O LYS A 265 899 1097 823 26 -131 -228 O +ATOM 2111 CB LYS A 265 4.905 -14.914 7.916 1.00 10.27 C +ANISOU 2111 CB LYS A 265 1419 1216 1266 18 -62 -70 C +ATOM 2112 CG LYS A 265 5.718 -14.152 6.885 1.00 13.66 C +ANISOU 2112 CG LYS A 265 1911 1613 1665 263 -69 207 C +ATOM 2113 CD LYS A 265 6.974 -13.605 7.554 1.00 18.08 C +ANISOU 2113 CD LYS A 265 2318 2481 2071 299 -45 474 C +ATOM 2114 CE LYS A 265 8.030 -13.109 6.605 1.00 21.08 C +ANISOU 2114 CE LYS A 265 2798 2882 2327 262 -177 452 C +ATOM 2115 NZ LYS A 265 9.205 -12.623 7.432 1.00 20.77 N +ANISOU 2115 NZ LYS A 265 2811 2653 2429 -17 -371 440 N +ATOM 2116 N ILE A 266 3.534 -17.239 9.471 1.00 7.42 N +ANISOU 2116 N ILE A 266 981 1076 762 -54 -13 -61 N +ATOM 2117 CA ILE A 266 2.877 -17.699 10.681 1.00 7.31 C +ANISOU 2117 CA ILE A 266 901 1138 739 -26 -45 -30 C +ATOM 2118 C ILE A 266 3.527 -18.982 11.200 1.00 7.05 C +ANISOU 2118 C ILE A 266 834 1187 660 7 -84 -131 C +ATOM 2119 O ILE A 266 3.863 -19.094 12.383 1.00 7.22 O +ANISOU 2119 O ILE A 266 872 1186 685 82 -91 -197 O +ATOM 2120 CB ILE A 266 1.386 -17.896 10.430 1.00 7.95 C +ANISOU 2120 CB ILE A 266 894 1279 849 55 -76 -28 C +ATOM 2121 CG1 ILE A 266 0.716 -16.533 10.251 1.00 8.76 C +ANISOU 2121 CG1 ILE A 266 1017 1304 1008 162 -123 -137 C +ATOM 2122 CG2 ILE A 266 0.748 -18.647 11.582 1.00 8.71 C +ANISOU 2122 CG2 ILE A 266 953 1560 798 193 -106 6 C +ATOM 2123 CD1 ILE A 266 -0.640 -16.613 9.635 1.00 9.40 C +ANISOU 2123 CD1 ILE A 266 1085 1369 1118 264 -176 -70 C +ATOM 2124 N PHE A 267 3.727 -19.950 10.312 1.00 7.22 N +ANISOU 2124 N PHE A 267 976 1110 656 98 -76 -110 N +ATOM 2125 CA PHE A 267 4.295 -21.213 10.732 1.00 6.91 C +ANISOU 2125 CA PHE A 267 1020 976 631 19 -97 -64 C +ATOM 2126 C PHE A 267 5.778 -21.117 11.061 1.00 6.34 C +ANISOU 2126 C PHE A 267 960 895 556 6 -77 -73 C +ATOM 2127 O PHE A 267 6.248 -21.807 11.957 1.00 6.69 O +ANISOU 2127 O PHE A 267 1094 952 497 135 -135 -128 O +ATOM 2128 CB PHE A 267 3.993 -22.331 9.723 1.00 7.58 C +ANISOU 2128 CB PHE A 267 1035 1099 748 -30 -216 -14 C +ATOM 2129 CG PHE A 267 2.658 -22.994 9.964 1.00 8.90 C +ANISOU 2129 CG PHE A 267 1173 1244 963 -117 -165 52 C +ATOM 2130 CD1 PHE A 267 1.490 -22.307 9.731 1.00 9.91 C +ANISOU 2130 CD1 PHE A 267 1156 1404 1207 -380 -197 245 C +ATOM 2131 CD2 PHE A 267 2.583 -24.271 10.476 1.00 10.11 C +ANISOU 2131 CD2 PHE A 267 1421 1382 1040 -147 -58 90 C +ATOM 2132 CE1 PHE A 267 0.261 -22.896 9.978 1.00 11.29 C +ANISOU 2132 CE1 PHE A 267 1234 1753 1304 -349 -235 276 C +ATOM 2133 CE2 PHE A 267 1.350 -24.873 10.713 1.00 10.61 C +ANISOU 2133 CE2 PHE A 267 1569 1330 1133 -197 8 260 C +ATOM 2134 CZ PHE A 267 0.195 -24.184 10.465 1.00 11.20 C +ANISOU 2134 CZ PHE A 267 1440 1616 1198 -348 -70 262 C +ATOM 2135 N TYR A 268 6.524 -20.251 10.377 1.00 6.31 N +ANISOU 2135 N TYR A 268 968 978 452 69 -50 -40 N +ATOM 2136 CA TYR A 268 7.935 -20.079 10.704 1.00 6.47 C +ANISOU 2136 CA TYR A 268 940 974 543 72 -48 -107 C +ATOM 2137 C TYR A 268 8.048 -19.487 12.104 1.00 6.41 C +ANISOU 2137 C TYR A 268 913 970 555 55 -107 -104 C +ATOM 2138 O TYR A 268 8.873 -19.914 12.909 1.00 6.43 O +ANISOU 2138 O TYR A 268 890 1032 523 -31 -138 -72 O +ATOM 2139 CB TYR A 268 8.671 -19.196 9.692 1.00 6.61 C +ANISOU 2139 CB TYR A 268 990 1031 492 104 -49 -86 C +ATOM 2140 CG TYR A 268 10.142 -19.075 10.040 1.00 6.69 C +ANISOU 2140 CG TYR A 268 948 1046 549 66 30 -66 C +ATOM 2141 CD1 TYR A 268 11.034 -20.076 9.709 1.00 6.96 C +ANISOU 2141 CD1 TYR A 268 886 1191 568 23 -46 -167 C +ATOM 2142 CD2 TYR A 268 10.620 -17.993 10.749 1.00 7.09 C +ANISOU 2142 CD2 TYR A 268 947 1141 605 32 34 -97 C +ATOM 2143 CE1 TYR A 268 12.362 -19.995 10.055 1.00 6.99 C +ANISOU 2143 CE1 TYR A 268 893 1167 597 75 -19 -138 C +ATOM 2144 CE2 TYR A 268 11.953 -17.906 11.106 1.00 7.05 C +ANISOU 2144 CE2 TYR A 268 920 1133 627 -100 36 -96 C +ATOM 2145 CZ TYR A 268 12.823 -18.922 10.763 1.00 7.17 C +ANISOU 2145 CZ TYR A 268 920 1229 574 -14 -6 -154 C +ATOM 2146 OH TYR A 268 14.154 -18.862 11.110 1.00 7.85 O +ANISOU 2146 OH TYR A 268 929 1415 637 -46 47 -74 O +ATOM 2147 N ARG A 269 7.222 -18.494 12.414 1.00 6.66 N +ANISOU 2147 N ARG A 269 1050 882 598 74 -159 -251 N +ATOM 2148 CA ARG A 269 7.238 -17.913 13.743 1.00 7.07 C +ANISOU 2148 CA ARG A 269 1103 945 639 -12 -52 -264 C +ATOM 2149 C ARG A 269 6.823 -18.932 14.798 1.00 7.07 C +ANISOU 2149 C ARG A 269 1004 1057 627 -50 -77 -208 C +ATOM 2150 O ARG A 269 7.421 -19.022 15.857 1.00 7.50 O +ANISOU 2150 O ARG A 269 1027 1221 604 76 -115 -175 O +ATOM 2151 CB ARG A 269 6.367 -16.662 13.791 1.00 7.90 C +ANISOU 2151 CB ARG A 269 1291 963 746 11 93 -338 C +ATOM 2152 CG ARG A 269 6.446 -15.954 15.120 1.00 9.13 C +ANISOU 2152 CG ARG A 269 1520 1023 927 109 201 -446 C +ATOM 2153 CD ARG A 269 5.813 -14.570 15.048 1.00 10.63 C +ANISOU 2153 CD ARG A 269 1700 1177 1163 43 200 -635 C +ATOM 2154 NE ARG A 269 6.020 -13.818 16.278 1.00 12.96 N +ANISOU 2154 NE ARG A 269 1886 1601 1437 -27 247 -868 N +ATOM 2155 CZ ARG A 269 7.108 -13.119 16.552 1.00 16.35 C +ANISOU 2155 CZ ARG A 269 2141 2414 1656 -374 379 -1102 C +ATOM 2156 NH1 ARG A 269 8.098 -13.052 15.672 1.00 18.19 N +ANISOU 2156 NH1 ARG A 269 2262 2853 1797 -718 290 -1192 N +ATOM 2157 NH2 ARG A 269 7.194 -12.480 17.707 1.00 18.53 N +ANISOU 2157 NH2 ARG A 269 2409 2846 1783 -355 390 -1225 N +ATOM 2158 N ALA A 270 5.802 -19.720 14.512 1.00 7.19 N +ANISOU 2158 N ALA A 270 1042 1087 601 -1 -96 -189 N +ATOM 2159 CA ALA A 270 5.364 -20.736 15.466 1.00 7.37 C +ANISOU 2159 CA ALA A 270 1111 1126 565 37 -36 -161 C +ATOM 2160 C ALA A 270 6.512 -21.707 15.751 1.00 7.12 C +ANISOU 2160 C ALA A 270 1053 1180 473 -72 -144 -239 C +ATOM 2161 O ALA A 270 6.809 -22.040 16.901 1.00 7.54 O +ANISOU 2161 O ALA A 270 1178 1190 496 -52 -61 -130 O +ATOM 2162 CB ALA A 270 4.148 -21.478 14.954 1.00 7.62 C +ANISOU 2162 CB ALA A 270 1193 1041 660 1 -40 -162 C +ATOM 2163 N LEU A 271 7.159 -22.161 14.686 1.00 6.50 N +ANISOU 2163 N LEU A 271 979 1058 432 -93 -114 -137 N +ATOM 2164 CA LEU A 271 8.232 -23.142 14.788 1.00 6.74 C +ANISOU 2164 CA LEU A 271 1065 1053 443 31 -72 -132 C +ATOM 2165 C LEU A 271 9.397 -22.633 15.613 1.00 7.20 C +ANISOU 2165 C LEU A 271 1021 1163 552 15 -134 39 C +ATOM 2166 O LEU A 271 10.003 -23.385 16.374 1.00 7.71 O +ANISOU 2166 O LEU A 271 1230 1159 542 58 -279 -3 O +ATOM 2167 CB LEU A 271 8.726 -23.490 13.382 1.00 6.77 C +ANISOU 2167 CB LEU A 271 993 1118 460 -32 -120 -109 C +ATOM 2168 CG LEU A 271 9.812 -24.557 13.314 1.00 7.17 C +ANISOU 2168 CG LEU A 271 1091 1071 564 -15 -144 -111 C +ATOM 2169 CD1 LEU A 271 9.277 -25.897 13.752 1.00 7.87 C +ANISOU 2169 CD1 LEU A 271 1256 1174 562 191 -67 -47 C +ATOM 2170 CD2 LEU A 271 10.351 -24.611 11.895 1.00 7.74 C +ANISOU 2170 CD2 LEU A 271 1171 1125 645 -27 -79 -102 C +ATOM 2171 N THR A 272 9.723 -21.351 15.447 1.00 6.73 N +ANISOU 2171 N THR A 272 927 991 640 -114 -199 -18 N +ATOM 2172 CA THR A 272 10.943 -20.813 16.017 1.00 7.51 C +ANISOU 2172 CA THR A 272 1054 1093 707 -162 -128 -17 C +ATOM 2173 C THR A 272 10.759 -20.075 17.323 1.00 8.25 C +ANISOU 2173 C THR A 272 1132 1325 677 -59 -219 -155 C +ATOM 2174 O THR A 272 11.738 -19.880 18.037 1.00 8.88 O +ANISOU 2174 O THR A 272 1134 1535 705 -167 -198 -149 O +ATOM 2175 CB THR A 272 11.687 -19.907 15.025 1.00 8.59 C +ANISOU 2175 CB THR A 272 1178 1237 849 -33 -109 27 C +ATOM 2176 OG1 THR A 272 10.836 -18.833 14.612 1.00 8.36 O +ANISOU 2176 OG1 THR A 272 1164 1053 958 -89 -137 45 O +ATOM 2177 CG2 THR A 272 12.146 -20.688 13.819 1.00 9.76 C +ANISOU 2177 CG2 THR A 272 1258 1595 853 301 50 108 C +ATOM 2178 N GLN A 273 9.533 -19.688 17.660 1.00 8.71 N +ANISOU 2178 N GLN A 273 1253 1338 717 -177 -175 -304 N +ATOM 2179 CA AGLN A 273 9.267 -18.894 18.864 0.54 9.35 C +ANISOU 2179 CA AGLN A 273 1379 1378 795 -321 -222 -370 C +ATOM 2180 CA BGLN A 273 9.312 -18.936 18.892 0.46 9.25 C +ANISOU 2180 CA BGLN A 273 1381 1293 840 -290 -196 -363 C +ATOM 2181 C GLN A 273 8.343 -19.565 19.877 1.00 9.67 C +ANISOU 2181 C GLN A 273 1455 1465 754 -316 -163 -368 C +ATOM 2182 O GLN A 273 8.350 -19.193 21.038 1.00 12.10 O +ANISOU 2182 O GLN A 273 1842 1907 849 -330 -64 -443 O +ATOM 2183 CB AGLN A 273 8.650 -17.546 18.481 0.54 11.17 C +ANISOU 2183 CB AGLN A 273 1650 1642 951 -260 -226 -274 C +ATOM 2184 CB BGLN A 273 8.876 -17.511 18.562 0.46 10.55 C +ANISOU 2184 CB BGLN A 273 1613 1317 1078 -231 -168 -288 C +ATOM 2185 CG AGLN A 273 9.526 -16.693 17.600 0.54 13.56 C +ANISOU 2185 CG AGLN A 273 2010 2006 1136 -177 -248 -231 C +ATOM 2186 CG BGLN A 273 9.974 -16.753 17.880 0.46 12.18 C +ANISOU 2186 CG BGLN A 273 1882 1412 1333 -179 -188 -305 C +ATOM 2187 CD AGLN A 273 10.745 -16.151 18.313 0.54 15.68 C +ANISOU 2187 CD AGLN A 273 2279 2403 1275 -146 -243 -207 C +ATOM 2188 CD BGLN A 273 9.639 -15.301 17.675 0.46 14.44 C +ANISOU 2188 CD BGLN A 273 2259 1666 1560 149 -124 -310 C +ATOM 2189 OE1AGLN A 273 11.765 -15.893 17.679 0.54 16.82 O +ANISOU 2189 OE1AGLN A 273 2341 2722 1329 -216 -161 -152 O +ATOM 2190 OE1BGLN A 273 9.018 -14.658 18.522 0.46 16.04 O +ANISOU 2190 OE1BGLN A 273 2491 1919 1684 224 -32 -214 O +ATOM 2191 NE2AGLN A 273 10.646 -15.967 19.627 0.54 15.83 N +ANISOU 2191 NE2AGLN A 273 2356 2345 1316 -190 -299 -222 N +ATOM 2192 NE2BGLN A 273 10.039 -14.777 16.533 0.46 15.00 N +ANISOU 2192 NE2BGLN A 273 2362 1685 1652 272 -168 -300 N +ATOM 2193 N TYR A 274 7.524 -20.523 19.444 1.00 8.44 N +ANISOU 2193 N TYR A 274 1286 1293 629 -148 -16 -287 N +ATOM 2194 CA TYR A 274 6.494 -21.049 20.339 1.00 8.95 C +ANISOU 2194 CA TYR A 274 1354 1423 625 43 85 -173 C +ATOM 2195 C TYR A 274 6.461 -22.566 20.535 1.00 8.72 C +ANISOU 2195 C TYR A 274 1367 1374 571 138 88 -116 C +ATOM 2196 O TYR A 274 6.236 -23.050 21.640 1.00 9.92 O +ANISOU 2196 O TYR A 274 1678 1467 623 73 44 -51 O +ATOM 2197 CB TYR A 274 5.116 -20.529 19.904 1.00 9.54 C +ANISOU 2197 CB TYR A 274 1442 1395 789 -11 199 -199 C +ATOM 2198 CG TYR A 274 4.981 -19.028 20.044 1.00 10.05 C +ANISOU 2198 CG TYR A 274 1676 1273 870 -16 171 -336 C +ATOM 2199 CD1 TYR A 274 4.938 -18.441 21.291 1.00 12.36 C +ANISOU 2199 CD1 TYR A 274 2251 1435 1012 418 261 -230 C +ATOM 2200 CD2 TYR A 274 4.911 -18.202 18.938 1.00 10.23 C +ANISOU 2200 CD2 TYR A 274 1703 1299 886 -31 115 -419 C +ATOM 2201 CE1 TYR A 274 4.819 -17.073 21.441 1.00 13.80 C +ANISOU 2201 CE1 TYR A 274 2546 1597 1101 627 166 -261 C +ATOM 2202 CE2 TYR A 274 4.779 -16.824 19.075 1.00 11.49 C +ANISOU 2202 CE2 TYR A 274 1976 1405 983 111 75 -378 C +ATOM 2203 CZ TYR A 274 4.743 -16.276 20.334 1.00 12.88 C +ANISOU 2203 CZ TYR A 274 2395 1414 1083 397 64 -364 C +ATOM 2204 OH TYR A 274 4.630 -14.921 20.535 1.00 14.35 O +ANISOU 2204 OH TYR A 274 2738 1478 1234 632 39 -480 O +ATOM 2205 N LEU A 275 6.699 -23.332 19.483 1.00 7.96 N +ANISOU 2205 N LEU A 275 1212 1272 542 3 106 -93 N +ATOM 2206 CA LEU A 275 6.660 -24.787 19.607 1.00 7.91 C +ANISOU 2206 CA LEU A 275 1092 1259 654 -15 107 69 C +ATOM 2207 C LEU A 275 7.833 -25.307 20.430 1.00 8.08 C +ANISOU 2207 C LEU A 275 1155 1202 714 -106 25 -3 C +ATOM 2208 O LEU A 275 8.893 -24.699 20.482 1.00 8.64 O +ANISOU 2208 O LEU A 275 1176 1260 845 -135 96 3 O +ATOM 2209 CB LEU A 275 6.642 -25.448 18.234 1.00 8.09 C +ANISOU 2209 CB LEU A 275 1161 1211 703 -75 7 -41 C +ATOM 2210 CG LEU A 275 5.394 -25.178 17.394 1.00 8.28 C +ANISOU 2210 CG LEU A 275 1148 1319 678 -15 62 19 C +ATOM 2211 CD1 LEU A 275 5.546 -25.811 16.018 1.00 8.36 C +ANISOU 2211 CD1 LEU A 275 1058 1437 682 -173 54 -185 C +ATOM 2212 CD2 LEU A 275 4.129 -25.674 18.107 1.00 10.32 C +ANISOU 2212 CD2 LEU A 275 1331 1833 759 111 46 11 C +ATOM 2213 N THR A 276 7.603 -26.428 21.092 1.00 7.90 N +ANISOU 2213 N THR A 276 1210 1137 655 -90 -76 78 N +ATOM 2214 CA THR A 276 8.623 -27.063 21.920 1.00 8.12 C +ANISOU 2214 CA THR A 276 1282 1158 644 -84 -130 -20 C +ATOM 2215 C THR A 276 8.706 -28.536 21.531 1.00 7.57 C +ANISOU 2215 C THR A 276 1200 1129 546 -85 -129 39 C +ATOM 2216 O THR A 276 7.937 -29.004 20.697 1.00 7.96 O +ANISOU 2216 O THR A 276 1137 1304 583 32 -258 -96 O +ATOM 2217 CB THR A 276 8.289 -26.959 23.410 1.00 9.29 C +ANISOU 2217 CB THR A 276 1504 1220 807 -137 -51 -7 C +ATOM 2218 OG1 THR A 276 7.240 -27.876 23.699 1.00 11.32 O +ANISOU 2218 OG1 THR A 276 1865 1573 861 -129 54 162 O +ATOM 2219 CG2 THR A 276 7.883 -25.539 23.810 1.00 10.39 C +ANISOU 2219 CG2 THR A 276 1629 1407 910 124 -10 -81 C +ATOM 2220 N PRO A 277 9.632 -29.286 22.139 1.00 6.94 N +ANISOU 2220 N PRO A 277 1105 1047 487 -66 -164 -41 N +ATOM 2221 CA PRO A 277 9.788 -30.672 21.678 1.00 7.53 C +ANISOU 2221 CA PRO A 277 1270 1122 470 -30 -202 -118 C +ATOM 2222 C PRO A 277 8.530 -31.515 21.859 1.00 7.60 C +ANISOU 2222 C PRO A 277 1280 1145 463 1 -173 -44 C +ATOM 2223 O PRO A 277 8.331 -32.468 21.121 1.00 8.13 O +ANISOU 2223 O PRO A 277 1416 1147 527 -68 -168 -119 O +ATOM 2224 CB PRO A 277 10.947 -31.187 22.538 1.00 7.85 C +ANISOU 2224 CB PRO A 277 1290 1202 491 -70 -238 -141 C +ATOM 2225 CG PRO A 277 11.789 -29.952 22.776 1.00 7.99 C +ANISOU 2225 CG PRO A 277 1365 1146 526 103 -228 -62 C +ATOM 2226 CD PRO A 277 10.775 -28.853 22.973 1.00 7.47 C +ANISOU 2226 CD PRO A 277 1186 1082 572 -102 -237 -118 C +ATOM 2227 N THR A 278 7.696 -31.168 22.829 1.00 7.66 N +ANISOU 2227 N THR A 278 1193 1226 491 -90 -172 -17 N +ATOM 2228 CA THR A 278 6.539 -31.989 23.164 1.00 9.71 C +ANISOU 2228 CA THR A 278 1433 1610 645 -19 -161 236 C +ATOM 2229 C THR A 278 5.214 -31.386 22.709 1.00 8.70 C +ANISOU 2229 C THR A 278 1245 1458 603 -45 50 233 C +ATOM 2230 O THR A 278 4.158 -31.894 23.089 1.00 9.50 O +ANISOU 2230 O THR A 278 1277 1631 700 -98 171 391 O +ATOM 2231 CB THR A 278 6.458 -32.248 24.698 1.00 13.07 C +ANISOU 2231 CB THR A 278 1794 2304 867 130 -239 366 C +ATOM 2232 OG1 THR A 278 6.330 -30.995 25.386 1.00 15.63 O +ANISOU 2232 OG1 THR A 278 2025 2979 934 210 -75 254 O +ATOM 2233 CG2 THR A 278 7.697 -32.982 25.201 1.00 14.28 C +ANISOU 2233 CG2 THR A 278 1903 2528 996 258 -326 466 C +ATOM 2234 N SER A 279 5.233 -30.334 21.902 1.00 7.97 N +ANISOU 2234 N SER A 279 1066 1377 585 3 -14 -32 N +ATOM 2235 CA SER A 279 3.970 -29.743 21.468 1.00 7.62 C +ANISOU 2235 CA SER A 279 1004 1292 599 -90 2 -107 C +ATOM 2236 C SER A 279 3.028 -30.744 20.822 1.00 7.96 C +ANISOU 2236 C SER A 279 1057 1326 641 -25 -3 -120 C +ATOM 2237 O SER A 279 3.437 -31.526 19.971 1.00 8.62 O +ANISOU 2237 O SER A 279 1149 1333 793 18 -60 -146 O +ATOM 2238 CB SER A 279 4.199 -28.622 20.454 1.00 7.78 C +ANISOU 2238 CB SER A 279 1115 1262 579 2 46 -22 C +ATOM 2239 OG SER A 279 4.948 -27.542 20.982 1.00 8.80 O +ANISOU 2239 OG SER A 279 1232 1443 669 -36 10 39 O +ATOM 2240 N ASN A 280 1.758 -30.678 21.213 1.00 8.11 N +ANISOU 2240 N ASN A 280 1151 1302 629 -65 116 -180 N +ATOM 2241 CA ASN A 280 0.715 -31.434 20.551 1.00 8.08 C +ANISOU 2241 CA ASN A 280 1150 1245 677 -45 90 -109 C +ATOM 2242 C ASN A 280 -0.104 -30.542 19.618 1.00 7.66 C +ANISOU 2242 C ASN A 280 1070 1207 632 -96 90 -108 C +ATOM 2243 O ASN A 280 0.192 -29.348 19.459 1.00 7.55 O +ANISOU 2243 O ASN A 280 1067 1232 571 -115 134 -114 O +ATOM 2244 CB ASN A 280 -0.150 -32.154 21.593 1.00 8.86 C +ANISOU 2244 CB ASN A 280 1311 1383 672 35 237 21 C +ATOM 2245 CG ASN A 280 -0.930 -31.200 22.478 1.00 9.96 C +ANISOU 2245 CG ASN A 280 1448 1571 765 -73 322 103 C +ATOM 2246 OD1 ASN A 280 -1.258 -30.083 22.091 1.00 9.62 O +ANISOU 2246 OD1 ASN A 280 1350 1556 748 -41 329 6 O +ATOM 2247 ND2 ASN A 280 -1.240 -31.644 23.681 1.00 12.73 N +ANISOU 2247 ND2 ASN A 280 1841 2068 926 229 453 226 N +ATOM 2248 N PHE A 281 -1.109 -31.122 18.967 1.00 7.41 N +ANISOU 2248 N PHE A 281 1002 1172 643 -91 79 -70 N +ATOM 2249 CA PHE A 281 -1.834 -30.380 17.946 1.00 7.77 C +ANISOU 2249 CA PHE A 281 1022 1232 699 -12 17 -138 C +ATOM 2250 C PHE A 281 -2.540 -29.159 18.541 1.00 8.20 C +ANISOU 2250 C PHE A 281 1060 1318 736 -10 175 -59 C +ATOM 2251 O PHE A 281 -2.572 -28.099 17.926 1.00 7.71 O +ANISOU 2251 O PHE A 281 985 1141 803 -48 69 -30 O +ATOM 2252 CB PHE A 281 -2.885 -31.250 17.260 1.00 7.34 C +ANISOU 2252 CB PHE A 281 973 1154 662 20 8 -130 C +ATOM 2253 CG PHE A 281 -2.343 -32.229 16.244 1.00 7.20 C +ANISOU 2253 CG PHE A 281 902 1146 687 -67 93 -34 C +ATOM 2254 CD1 PHE A 281 -0.984 -32.471 16.082 1.00 7.23 C +ANISOU 2254 CD1 PHE A 281 855 1270 624 -101 4 -93 C +ATOM 2255 CD2 PHE A 281 -3.222 -32.928 15.447 1.00 7.53 C +ANISOU 2255 CD2 PHE A 281 884 1239 738 -152 101 -24 C +ATOM 2256 CE1 PHE A 281 -0.546 -33.377 15.125 1.00 7.20 C +ANISOU 2256 CE1 PHE A 281 924 1164 646 -82 13 14 C +ATOM 2257 CE2 PHE A 281 -2.787 -33.837 14.513 1.00 8.00 C +ANISOU 2257 CE2 PHE A 281 1025 1269 746 -10 19 -120 C +ATOM 2258 CZ PHE A 281 -1.442 -34.054 14.341 1.00 7.50 C +ANISOU 2258 CZ PHE A 281 1011 1159 679 -47 77 40 C +ATOM 2259 N SER A 282 -3.120 -29.286 19.732 1.00 8.87 N +ANISOU 2259 N SER A 282 1186 1370 816 63 279 -170 N +ATOM 2260 CA ASER A 282 -3.797 -28.180 20.387 0.79 9.52 C +ANISOU 2260 CA ASER A 282 1280 1463 873 -12 315 -242 C +ATOM 2261 CA BSER A 282 -3.800 -28.157 20.347 0.21 9.78 C +ANISOU 2261 CA BSER A 282 1300 1553 863 145 263 -232 C +ATOM 2262 C SER A 282 -2.805 -27.045 20.653 1.00 9.49 C +ANISOU 2262 C SER A 282 1278 1507 821 101 201 -226 C +ATOM 2263 O SER A 282 -3.122 -25.854 20.503 1.00 9.61 O +ANISOU 2263 O SER A 282 1328 1550 775 142 189 -277 O +ATOM 2264 CB ASER A 282 -4.433 -28.670 21.687 0.79 10.70 C +ANISOU 2264 CB ASER A 282 1420 1653 992 -97 365 -229 C +ATOM 2265 CB BSER A 282 -4.533 -28.585 21.614 0.21 10.97 C +ANISOU 2265 CB BSER A 282 1425 1799 943 274 274 -267 C +ATOM 2266 OG ASER A 282 -5.131 -27.642 22.362 0.79 11.68 O +ANISOU 2266 OG ASER A 282 1605 1798 1035 45 317 -196 O +ATOM 2267 OG BSER A 282 -5.733 -29.257 21.284 0.21 11.89 O +ANISOU 2267 OG BSER A 282 1522 2002 992 390 267 -312 O +ATOM 2268 N GLN A 283 -1.603 -27.424 21.073 1.00 8.75 N +ANISOU 2268 N GLN A 283 1141 1416 769 32 127 -192 N +ATOM 2269 CA GLN A 283 -0.558 -26.444 21.337 1.00 8.33 C +ANISOU 2269 CA GLN A 283 1182 1304 679 32 106 -166 C +ATOM 2270 C GLN A 283 -0.053 -25.799 20.057 1.00 7.92 C +ANISOU 2270 C GLN A 283 1195 1202 613 31 117 -203 C +ATOM 2271 O GLN A 283 0.316 -24.619 20.061 1.00 8.54 O +ANISOU 2271 O GLN A 283 1364 1246 633 -88 108 -234 O +ATOM 2272 CB GLN A 283 0.573 -27.078 22.137 1.00 9.21 C +ANISOU 2272 CB GLN A 283 1364 1517 620 92 123 -96 C +ATOM 2273 CG GLN A 283 0.109 -27.418 23.539 1.00 10.75 C +ANISOU 2273 CG GLN A 283 1649 1838 597 292 145 -122 C +ATOM 2274 CD GLN A 283 1.078 -28.273 24.302 1.00 12.21 C +ANISOU 2274 CD GLN A 283 1916 2074 648 422 127 -103 C +ATOM 2275 OE1 GLN A 283 1.616 -29.249 23.780 1.00 10.80 O +ANISOU 2275 OE1 GLN A 283 1655 1843 607 197 185 3 O +ATOM 2276 NE2 GLN A 283 1.347 -27.889 25.545 1.00 16.02 N +ANISOU 2276 NE2 GLN A 283 2431 2747 908 798 31 -244 N +ATOM 2277 N LEU A 284 -0.057 -26.535 18.949 1.00 7.40 N +ANISOU 2277 N LEU A 284 1127 1112 573 61 146 -113 N +ATOM 2278 CA LEU A 284 0.266 -25.925 17.657 1.00 7.54 C +ANISOU 2278 CA LEU A 284 1070 1199 595 17 151 -43 C +ATOM 2279 C LEU A 284 -0.780 -24.886 17.285 1.00 7.76 C +ANISOU 2279 C LEU A 284 1067 1189 691 -49 182 -102 C +ATOM 2280 O LEU A 284 -0.431 -23.798 16.841 1.00 7.87 O +ANISOU 2280 O LEU A 284 1107 1129 754 -87 167 -200 O +ATOM 2281 CB LEU A 284 0.379 -26.979 16.564 1.00 7.55 C +ANISOU 2281 CB LEU A 284 995 1291 582 -64 100 -59 C +ATOM 2282 CG LEU A 284 0.451 -26.416 15.150 1.00 7.45 C +ANISOU 2282 CG LEU A 284 931 1312 588 -36 20 -169 C +ATOM 2283 CD1 LEU A 284 1.726 -25.565 14.949 1.00 8.20 C +ANISOU 2283 CD1 LEU A 284 1146 1383 585 64 -50 -230 C +ATOM 2284 CD2 LEU A 284 0.360 -27.514 14.126 1.00 8.15 C +ANISOU 2284 CD2 LEU A 284 1072 1360 666 59 -37 -174 C +ATOM 2285 N ARG A 285 -2.057 -25.198 17.480 1.00 7.78 N +ANISOU 2285 N ARG A 285 1071 1086 798 -13 153 -44 N +ATOM 2286 CA ARG A 285 -3.093 -24.212 17.185 1.00 8.17 C +ANISOU 2286 CA ARG A 285 1005 1215 882 -67 152 -78 C +ATOM 2287 C ARG A 285 -2.814 -22.943 17.972 1.00 8.43 C +ANISOU 2287 C ARG A 285 1125 1217 861 53 208 -45 C +ATOM 2288 O ARG A 285 -2.821 -21.847 17.418 1.00 8.72 O +ANISOU 2288 O ARG A 285 1143 1220 951 14 155 -147 O +ATOM 2289 CB ARG A 285 -4.478 -24.754 17.530 1.00 8.83 C +ANISOU 2289 CB ARG A 285 1047 1296 1013 -13 121 -78 C +ATOM 2290 CG ARG A 285 -5.551 -23.700 17.405 1.00 9.78 C +ANISOU 2290 CG ARG A 285 1124 1464 1129 123 213 -62 C +ATOM 2291 CD ARG A 285 -6.889 -24.172 17.893 1.00 9.99 C +ANISOU 2291 CD ARG A 285 1016 1579 1202 78 270 -128 C +ATOM 2292 NE ARG A 285 -7.854 -23.069 17.883 1.00 10.92 N +ANISOU 2292 NE ARG A 285 1116 1766 1265 183 327 -214 N +ATOM 2293 CZ ARG A 285 -9.036 -23.074 17.277 1.00 11.56 C +ANISOU 2293 CZ ARG A 285 1148 1883 1361 210 299 -158 C +ATOM 2294 NH1 ARG A 285 -9.482 -24.145 16.640 1.00 12.22 N +ANISOU 2294 NH1 ARG A 285 1196 2063 1384 171 182 -193 N +ATOM 2295 NH2 ARG A 285 -9.802 -21.997 17.337 1.00 12.31 N +ANISOU 2295 NH2 ARG A 285 1203 1982 1493 302 272 -160 N +ATOM 2296 N ALA A 286 -2.530 -23.085 19.261 1.00 8.83 N +ANISOU 2296 N ALA A 286 1330 1198 826 -13 197 -169 N +ATOM 2297 CA ALA A 286 -2.297 -21.912 20.093 1.00 9.04 C +ANISOU 2297 CA ALA A 286 1375 1304 757 60 197 -299 C +ATOM 2298 C ALA A 286 -1.065 -21.131 19.611 1.00 8.60 C +ANISOU 2298 C ALA A 286 1293 1183 793 -1 146 -319 C +ATOM 2299 O ALA A 286 -1.055 -19.909 19.591 1.00 9.11 O +ANISOU 2299 O ALA A 286 1480 1151 830 26 226 -359 O +ATOM 2300 CB ALA A 286 -2.142 -22.311 21.546 1.00 10.13 C +ANISOU 2300 CB ALA A 286 1582 1503 764 122 189 -299 C +ATOM 2301 N ALA A 287 -0.009 -21.844 19.237 1.00 8.59 N +ANISOU 2301 N ALA A 287 1175 1299 788 13 105 -361 N +ATOM 2302 CA ALA A 287 1.208 -21.220 18.719 1.00 8.61 C +ANISOU 2302 CA ALA A 287 1192 1292 788 -4 133 -327 C +ATOM 2303 C ALA A 287 0.949 -20.466 17.425 1.00 8.24 C +ANISOU 2303 C ALA A 287 1171 1178 780 -30 181 -328 C +ATOM 2304 O ALA A 287 1.476 -19.371 17.219 1.00 8.31 O +ANISOU 2304 O ALA A 287 1268 1142 749 -107 128 -341 O +ATOM 2305 CB ALA A 287 2.291 -22.279 18.516 1.00 8.81 C +ANISOU 2305 CB ALA A 287 1117 1369 860 -151 -20 -295 C +ATOM 2306 N ALA A 288 0.160 -21.055 16.537 1.00 8.30 N +ANISOU 2306 N ALA A 288 1207 1131 817 -4 102 -236 N +ATOM 2307 CA ALA A 288 -0.169 -20.410 15.270 1.00 8.49 C +ANISOU 2307 CA ALA A 288 1226 1167 833 66 107 -136 C +ATOM 2308 C ALA A 288 -1.042 -19.169 15.489 1.00 8.19 C +ANISOU 2308 C ALA A 288 1189 1076 846 -20 165 -166 C +ATOM 2309 O ALA A 288 -0.854 -18.147 14.847 1.00 8.57 O +ANISOU 2309 O ALA A 288 1250 1217 787 17 174 -128 O +ATOM 2310 CB ALA A 288 -0.841 -21.387 14.340 1.00 8.93 C +ANISOU 2310 CB ALA A 288 1326 1259 809 74 111 -175 C +ATOM 2311 N VAL A 289 -2.011 -19.268 16.389 1.00 8.70 N +ANISOU 2311 N VAL A 289 1243 1085 979 46 247 -211 N +ATOM 2312 CA VAL A 289 -2.849 -18.122 16.712 1.00 9.67 C +ANISOU 2312 CA VAL A 289 1313 1243 1118 113 374 -131 C +ATOM 2313 C VAL A 289 -2.010 -16.997 17.305 1.00 9.46 C +ANISOU 2313 C VAL A 289 1415 1101 1081 131 387 -96 C +ATOM 2314 O VAL A 289 -2.146 -15.836 16.920 1.00 10.35 O +ANISOU 2314 O VAL A 289 1617 1163 1151 216 379 -90 O +ATOM 2315 CB VAL A 289 -3.986 -18.525 17.679 1.00 10.69 C +ANISOU 2315 CB VAL A 289 1457 1310 1294 118 497 -71 C +ATOM 2316 CG1 VAL A 289 -4.661 -17.286 18.267 1.00 11.75 C +ANISOU 2316 CG1 VAL A 289 1518 1546 1401 141 686 17 C +ATOM 2317 CG2 VAL A 289 -4.995 -19.424 16.978 1.00 11.21 C +ANISOU 2317 CG2 VAL A 289 1552 1324 1382 251 505 -59 C +ATOM 2318 N GLN A 290 -1.109 -17.329 18.219 1.00 9.59 N +ANISOU 2318 N GLN A 290 1518 1082 1044 93 362 -287 N +ATOM 2319 CA GLN A 290 -0.270 -16.303 18.822 1.00 10.32 C +ANISOU 2319 CA GLN A 290 1606 1238 1075 -4 351 -362 C +ATOM 2320 C GLN A 290 0.663 -15.699 17.780 1.00 9.47 C +ANISOU 2320 C GLN A 290 1510 1063 1024 -80 256 -380 C +ATOM 2321 O GLN A 290 0.862 -14.489 17.755 1.00 10.32 O +ANISOU 2321 O GLN A 290 1682 1115 1125 -49 206 -261 O +ATOM 2322 CB GLN A 290 0.527 -16.862 19.991 1.00 11.57 C +ANISOU 2322 CB GLN A 290 1868 1342 1185 -143 382 -386 C +ATOM 2323 CG GLN A 290 1.334 -15.804 20.735 1.00 13.70 C +ANISOU 2323 CG GLN A 290 2229 1622 1354 -135 426 -483 C +ATOM 2324 CD GLN A 290 0.441 -14.760 21.352 1.00 15.15 C +ANISOU 2324 CD GLN A 290 2487 1738 1530 -219 577 -545 C +ATOM 2325 OE1 GLN A 290 -0.416 -15.086 22.163 1.00 16.97 O +ANISOU 2325 OE1 GLN A 290 2858 1982 1609 -117 811 -491 O +ATOM 2326 NE2 GLN A 290 0.609 -13.512 20.954 1.00 15.02 N +ANISOU 2326 NE2 GLN A 290 2433 1705 1568 -89 469 -697 N +ATOM 2327 N SER A 291 1.220 -16.533 16.907 1.00 8.94 N +ANISOU 2327 N SER A 291 1417 1030 951 -93 269 -324 N +ATOM 2328 CA SER A 291 2.116 -16.037 15.873 1.00 8.88 C +ANISOU 2328 CA SER A 291 1259 1138 977 -151 206 -280 C +ATOM 2329 C SER A 291 1.405 -15.080 14.931 1.00 9.20 C +ANISOU 2329 C SER A 291 1266 1181 1049 -68 219 -333 C +ATOM 2330 O SER A 291 1.931 -14.009 14.592 1.00 9.21 O +ANISOU 2330 O SER A 291 1341 1087 1072 -18 213 -327 O +ATOM 2331 CB SER A 291 2.698 -17.217 15.087 1.00 8.96 C +ANISOU 2331 CB SER A 291 1284 1171 949 34 43 -295 C +ATOM 2332 OG SER A 291 3.535 -18.025 15.907 1.00 10.74 O +ANISOU 2332 OG SER A 291 1523 1554 1006 228 -47 -310 O +ATOM 2333 N ALA A 292 0.202 -15.450 14.501 1.00 9.27 N +ANISOU 2333 N ALA A 292 1295 1108 1121 10 215 -311 N +ATOM 2334 CA ALA A 292 -0.589 -14.565 13.647 1.00 9.24 C +ANISOU 2334 CA ALA A 292 1347 1021 1145 13 229 -225 C +ATOM 2335 C ALA A 292 -0.966 -13.264 14.359 1.00 9.38 C +ANISOU 2335 C ALA A 292 1303 1033 1227 -74 285 -135 C +ATOM 2336 O ALA A 292 -1.020 -12.201 13.738 1.00 9.97 O +ANISOU 2336 O ALA A 292 1443 1059 1286 119 286 -143 O +ATOM 2337 CB ALA A 292 -1.837 -15.287 13.116 1.00 9.80 C +ANISOU 2337 CB ALA A 292 1434 1148 1143 34 238 -249 C +ATOM 2338 N THR A 293 -1.231 -13.358 15.662 1.00 9.87 N +ANISOU 2338 N THR A 293 1362 1126 1261 23 365 -176 N +ATOM 2339 CA THR A 293 -1.541 -12.180 16.463 1.00 10.81 C +ANISOU 2339 CA THR A 293 1603 1213 1290 172 333 -301 C +ATOM 2340 C THR A 293 -0.332 -11.243 16.501 1.00 11.09 C +ANISOU 2340 C THR A 293 1714 1217 1283 108 222 -349 C +ATOM 2341 O THR A 293 -0.463 -10.036 16.318 1.00 11.22 O +ANISOU 2341 O THR A 293 1742 1230 1292 86 192 -357 O +ATOM 2342 CB THR A 293 -1.952 -12.570 17.887 1.00 11.39 C +ANISOU 2342 CB THR A 293 1713 1305 1311 107 372 -386 C +ATOM 2343 OG1 THR A 293 -3.155 -13.352 17.837 1.00 11.96 O +ANISOU 2343 OG1 THR A 293 1822 1409 1312 198 426 -374 O +ATOM 2344 CG2 THR A 293 -2.203 -11.335 18.752 1.00 12.41 C +ANISOU 2344 CG2 THR A 293 1984 1363 1368 169 389 -525 C +ATOM 2345 N ASP A 294 0.852 -11.805 16.714 1.00 10.69 N +ANISOU 2345 N ASP A 294 1697 1090 1274 73 197 -350 N +ATOM 2346 CA ASP A 294 2.077 -11.011 16.741 1.00 11.13 C +ANISOU 2346 CA ASP A 294 1708 1181 1339 13 212 -355 C +ATOM 2347 C ASP A 294 2.283 -10.278 15.422 1.00 11.43 C +ANISOU 2347 C ASP A 294 1726 1153 1464 17 238 -315 C +ATOM 2348 O ASP A 294 2.665 -9.117 15.383 1.00 11.90 O +ANISOU 2348 O ASP A 294 1830 1166 1526 14 186 -437 O +ATOM 2349 CB ASP A 294 3.312 -11.900 16.944 1.00 11.59 C +ANISOU 2349 CB ASP A 294 1770 1340 1295 102 150 -429 C +ATOM 2350 CG ASP A 294 3.375 -12.603 18.303 1.00 11.21 C +ANISOU 2350 CG ASP A 294 1833 1134 1292 -4 189 -451 C +ATOM 2351 OD1 ASP A 294 2.667 -12.234 19.259 1.00 11.90 O +ANISOU 2351 OD1 ASP A 294 1939 1267 1316 12 116 -413 O +ATOM 2352 OD2 ASP A 294 4.203 -13.541 18.408 1.00 11.63 O +ANISOU 2352 OD2 ASP A 294 1919 1216 1283 74 314 -467 O +ATOM 2353 N LEU A 295 2.061 -10.986 14.326 1.00 10.79 N +ANISOU 2353 N LEU A 295 1580 1056 1464 -155 180 -168 N +ATOM 2354 CA LEU A 295 2.383 -10.459 13.011 1.00 11.48 C +ANISOU 2354 CA LEU A 295 1581 1249 1531 4 227 -34 C +ATOM 2355 C LEU A 295 1.330 -9.527 12.450 1.00 11.98 C +ANISOU 2355 C LEU A 295 1637 1260 1656 19 145 -13 C +ATOM 2356 O LEU A 295 1.682 -8.581 11.753 1.00 12.56 O +ANISOU 2356 O LEU A 295 1651 1336 1784 -22 60 90 O +ATOM 2357 CB LEU A 295 2.588 -11.606 12.028 1.00 11.53 C +ANISOU 2357 CB LEU A 295 1557 1293 1531 144 214 14 C +ATOM 2358 CG LEU A 295 3.808 -12.489 12.270 1.00 12.38 C +ANISOU 2358 CG LEU A 295 1642 1436 1625 148 219 94 C +ATOM 2359 CD1 LEU A 295 3.662 -13.820 11.550 1.00 13.35 C +ANISOU 2359 CD1 LEU A 295 1751 1725 1598 308 169 -38 C +ATOM 2360 CD2 LEU A 295 5.060 -11.753 11.843 1.00 13.25 C +ANISOU 2360 CD2 LEU A 295 1722 1547 1765 -12 267 176 C +ATOM 2361 N TYR A 296 0.059 -9.767 12.766 1.00 11.82 N +ANISOU 2361 N TYR A 296 1635 1182 1675 108 100 -1 N +ATOM 2362 CA TYR A 296 -1.038 -9.119 12.049 1.00 11.87 C +ANISOU 2362 CA TYR A 296 1621 1167 1722 142 107 63 C +ATOM 2363 C TYR A 296 -2.071 -8.468 12.945 1.00 12.66 C +ANISOU 2363 C TYR A 296 1803 1210 1796 199 208 -46 C +ATOM 2364 O TYR A 296 -2.897 -7.703 12.477 1.00 12.89 O +ANISOU 2364 O TYR A 296 1845 1233 1819 199 222 58 O +ATOM 2365 CB TYR A 296 -1.753 -10.123 11.129 1.00 11.82 C +ANISOU 2365 CB TYR A 296 1586 1231 1675 198 71 20 C +ATOM 2366 CG TYR A 296 -0.787 -10.789 10.198 1.00 12.00 C +ANISOU 2366 CG TYR A 296 1590 1306 1661 177 41 -17 C +ATOM 2367 CD1 TYR A 296 -0.132 -10.059 9.216 1.00 12.76 C +ANISOU 2367 CD1 TYR A 296 1770 1390 1689 227 -6 -38 C +ATOM 2368 CD2 TYR A 296 -0.471 -12.140 10.328 1.00 11.99 C +ANISOU 2368 CD2 TYR A 296 1510 1406 1639 217 -69 -62 C +ATOM 2369 CE1 TYR A 296 0.789 -10.647 8.381 1.00 13.05 C +ANISOU 2369 CE1 TYR A 296 1769 1546 1641 238 -35 -165 C +ATOM 2370 CE2 TYR A 296 0.456 -12.735 9.499 1.00 12.14 C +ANISOU 2370 CE2 TYR A 296 1483 1521 1610 140 -85 -119 C +ATOM 2371 CZ TYR A 296 1.087 -11.988 8.529 1.00 12.62 C +ANISOU 2371 CZ TYR A 296 1595 1653 1547 220 -75 -289 C +ATOM 2372 OH TYR A 296 2.021 -12.584 7.718 1.00 13.54 O +ANISOU 2372 OH TYR A 296 1632 2024 1488 173 -104 -423 O +ATOM 2373 N GLY A 297 -2.042 -8.778 14.233 1.00 13.03 N +ANISOU 2373 N GLY A 297 1879 1264 1809 288 329 -150 N +ATOM 2374 CA GLY A 297 -2.969 -8.177 15.172 1.00 13.89 C +ANISOU 2374 CA GLY A 297 1998 1343 1937 282 422 -327 C +ATOM 2375 C GLY A 297 -4.115 -9.094 15.557 1.00 14.69 C +ANISOU 2375 C GLY A 297 2113 1445 2024 216 541 -406 C +ATOM 2376 O GLY A 297 -4.583 -9.899 14.765 1.00 14.43 O +ANISOU 2376 O GLY A 297 2110 1387 1985 263 476 -427 O +ATOM 2377 N SER A 298 -4.590 -8.960 16.788 1.00 15.80 N +ANISOU 2377 N SER A 298 2316 1571 2117 150 693 -506 N +ATOM 2378 CA SER A 298 -5.607 -9.862 17.313 1.00 17.22 C +ANISOU 2378 CA SER A 298 2560 1735 2247 231 856 -477 C +ATOM 2379 C SER A 298 -6.928 -9.821 16.548 1.00 17.69 C +ANISOU 2379 C SER A 298 2493 1788 2442 94 948 -377 C +ATOM 2380 O SER A 298 -7.640 -10.834 16.492 1.00 18.74 O +ANISOU 2380 O SER A 298 2567 1991 2564 -3 1009 -413 O +ATOM 2381 CB SER A 298 -5.873 -9.548 18.778 1.00 18.80 C +ANISOU 2381 CB SER A 298 2842 2086 2216 321 904 -549 C +ATOM 2382 OG SER A 298 -6.403 -8.249 18.899 1.00 20.26 O +ANISOU 2382 OG SER A 298 3114 2348 2236 436 888 -655 O +ATOM 2383 N THR A 299 -7.265 -8.670 15.968 1.00 17.56 N +ANISOU 2383 N THR A 299 2368 1772 2531 223 933 -399 N +ATOM 2384 CA THR A 299 -8.526 -8.531 15.244 1.00 18.15 C +ANISOU 2384 CA THR A 299 2366 1863 2669 430 768 -309 C +ATOM 2385 C THR A 299 -8.385 -8.810 13.748 1.00 16.99 C +ANISOU 2385 C THR A 299 2124 1689 2642 421 642 -296 C +ATOM 2386 O THR A 299 -9.319 -8.600 12.983 1.00 17.73 O +ANISOU 2386 O THR A 299 2152 1857 2726 491 586 -234 O +ATOM 2387 CB THR A 299 -9.134 -7.123 15.430 1.00 20.59 C +ANISOU 2387 CB THR A 299 2729 2252 2840 773 667 -226 C +ATOM 2388 OG1 THR A 299 -8.338 -6.163 14.730 1.00 21.68 O +ANISOU 2388 OG1 THR A 299 3018 2274 2946 1033 524 -133 O +ATOM 2389 CG2 THR A 299 -9.201 -6.761 16.898 1.00 21.74 C +ANISOU 2389 CG2 THR A 299 2868 2505 2887 850 629 -275 C +ATOM 2390 N SER A 300 -7.236 -9.321 13.328 1.00 15.56 N +ANISOU 2390 N SER A 300 1900 1470 2541 336 621 -179 N +ATOM 2391 CA SER A 300 -6.960 -9.478 11.905 1.00 14.27 C +ANISOU 2391 CA SER A 300 1660 1308 2456 320 517 -68 C +ATOM 2392 C SER A 300 -7.692 -10.647 11.267 1.00 13.27 C +ANISOU 2392 C SER A 300 1474 1162 2405 138 355 -5 C +ATOM 2393 O SER A 300 -8.033 -11.637 11.924 1.00 14.01 O +ANISOU 2393 O SER A 300 1539 1363 2421 187 405 -58 O +ATOM 2394 CB SER A 300 -5.454 -9.657 11.692 1.00 13.99 C +ANISOU 2394 CB SER A 300 1619 1281 2417 303 481 -42 C +ATOM 2395 OG SER A 300 -4.986 -10.876 12.250 1.00 13.90 O +ANISOU 2395 OG SER A 300 1563 1343 2376 302 465 -130 O +ATOM 2396 N GLN A 301 -7.851 -10.558 9.956 1.00 14.35 N +ANISOU 2396 N GLN A 301 1750 1264 2438 280 201 96 N +ATOM 2397 CA GLN A 301 -8.327 -11.677 9.171 1.00 14.63 C +ANISOU 2397 CA GLN A 301 1746 1447 2366 337 52 18 C +ATOM 2398 C GLN A 301 -7.395 -12.882 9.340 1.00 13.21 C +ANISOU 2398 C GLN A 301 1465 1398 2156 167 83 39 C +ATOM 2399 O GLN A 301 -7.842 -14.020 9.401 1.00 12.66 O +ANISOU 2399 O GLN A 301 1381 1400 2030 57 -18 -63 O +ATOM 2400 CB GLN A 301 -8.385 -11.306 7.692 1.00 15.44 C +ANISOU 2400 CB GLN A 301 1815 1526 2525 350 -148 104 C +ATOM 2401 CG GLN A 301 -8.878 -12.446 6.829 1.00 16.86 C +ANISOU 2401 CG GLN A 301 1900 1834 2671 529 -284 81 C +ATOM 2402 CD GLN A 301 -10.307 -12.815 7.155 1.00 18.13 C +ANISOU 2402 CD GLN A 301 1925 2147 2818 723 -283 -43 C +ATOM 2403 OE1 GLN A 301 -11.222 -11.993 7.002 1.00 19.13 O +ANISOU 2403 OE1 GLN A 301 2064 2267 2939 903 -300 -110 O +ATOM 2404 NE2 GLN A 301 -10.514 -14.034 7.629 1.00 17.78 N +ANISOU 2404 NE2 GLN A 301 1765 2149 2841 530 -335 -168 N +ATOM 2405 N GLU A 302 -6.095 -12.628 9.422 1.00 12.47 N +ANISOU 2405 N GLU A 302 1444 1234 2061 272 249 66 N +ATOM 2406 CA GLU A 302 -5.124 -13.713 9.504 1.00 11.70 C +ANISOU 2406 CA GLU A 302 1326 1246 1875 110 272 -27 C +ATOM 2407 C GLU A 302 -5.363 -14.575 10.749 1.00 10.97 C +ANISOU 2407 C GLU A 302 1259 1181 1729 52 261 -171 C +ATOM 2408 O GLU A 302 -5.357 -15.809 10.679 1.00 11.08 O +ANISOU 2408 O GLU A 302 1339 1222 1647 8 98 -198 O +ATOM 2409 CB GLU A 302 -3.706 -13.137 9.485 1.00 11.94 C +ANISOU 2409 CB GLU A 302 1332 1342 1863 38 305 45 C +ATOM 2410 CG GLU A 302 -3.308 -12.519 8.131 1.00 12.83 C +ANISOU 2410 CG GLU A 302 1535 1480 1862 98 471 129 C +ATOM 2411 CD GLU A 302 -3.732 -11.070 7.941 1.00 14.25 C +ANISOU 2411 CD GLU A 302 1831 1666 1915 92 471 145 C +ATOM 2412 OE1 GLU A 302 -4.451 -10.499 8.767 1.00 14.08 O +ANISOU 2412 OE1 GLU A 302 1840 1583 1926 63 359 -157 O +ATOM 2413 OE2 GLU A 302 -3.288 -10.466 6.951 1.00 17.02 O +ANISOU 2413 OE2 GLU A 302 2381 2060 2027 430 582 171 O +ATOM 2414 N VAL A 303 -5.557 -13.934 11.896 1.00 10.97 N +ANISOU 2414 N VAL A 303 1304 1179 1684 140 204 -248 N +ATOM 2415 CA VAL A 303 -5.883 -14.680 13.104 1.00 10.54 C +ANISOU 2415 CA VAL A 303 1219 1185 1599 58 191 -292 C +ATOM 2416 C VAL A 303 -7.208 -15.439 12.960 1.00 10.62 C +ANISOU 2416 C VAL A 303 1194 1221 1620 105 108 -355 C +ATOM 2417 O VAL A 303 -7.323 -16.617 13.333 1.00 10.57 O +ANISOU 2417 O VAL A 303 1215 1255 1544 48 223 -399 O +ATOM 2418 CB VAL A 303 -5.913 -13.747 14.325 1.00 11.05 C +ANISOU 2418 CB VAL A 303 1369 1269 1560 7 185 -339 C +ATOM 2419 CG1 VAL A 303 -6.563 -14.414 15.504 1.00 11.88 C +ANISOU 2419 CG1 VAL A 303 1468 1485 1560 172 247 -309 C +ATOM 2420 CG2 VAL A 303 -4.504 -13.288 14.678 1.00 11.90 C +ANISOU 2420 CG2 VAL A 303 1543 1384 1595 42 219 -334 C +ATOM 2421 N ALA A 304 -8.218 -14.763 12.423 1.00 11.15 N +ANISOU 2421 N ALA A 304 1205 1305 1727 179 25 -287 N +ATOM 2422 CA ALA A 304 -9.517 -15.404 12.244 1.00 11.65 C +ANISOU 2422 CA ALA A 304 1184 1449 1791 249 -20 -251 C +ATOM 2423 C ALA A 304 -9.410 -16.660 11.372 1.00 11.02 C +ANISOU 2423 C ALA A 304 1101 1395 1693 153 37 -204 C +ATOM 2424 O ALA A 304 -10.028 -17.688 11.651 1.00 11.08 O +ANISOU 2424 O ALA A 304 1043 1466 1701 113 128 -109 O +ATOM 2425 CB ALA A 304 -10.511 -14.419 11.649 1.00 12.08 C +ANISOU 2425 CB ALA A 304 1229 1476 1885 432 -88 -322 C +ATOM 2426 N SER A 305 -8.611 -16.577 10.314 1.00 10.18 N +ANISOU 2426 N SER A 305 1028 1275 1564 104 17 -185 N +ATOM 2427 CA SER A 305 -8.438 -17.687 9.391 1.00 10.12 C +ANISOU 2427 CA SER A 305 1089 1347 1410 159 -42 -146 C +ATOM 2428 C SER A 305 -7.669 -18.850 9.997 1.00 9.32 C +ANISOU 2428 C SER A 305 979 1294 1269 76 -5 -149 C +ATOM 2429 O SER A 305 -7.977 -19.993 9.716 1.00 9.60 O +ANISOU 2429 O SER A 305 1047 1377 1225 32 -80 -161 O +ATOM 2430 CB SER A 305 -7.752 -17.201 8.124 1.00 11.02 C +ANISOU 2430 CB SER A 305 1309 1433 1444 322 10 -29 C +ATOM 2431 OG SER A 305 -8.627 -16.351 7.404 1.00 12.61 O +ANISOU 2431 OG SER A 305 1522 1794 1475 613 71 126 O +ATOM 2432 N VAL A 306 -6.677 -18.560 10.829 1.00 9.04 N +ANISOU 2432 N VAL A 306 974 1269 1192 234 26 -198 N +ATOM 2433 CA VAL A 306 -5.971 -19.618 11.541 1.00 8.87 C +ANISOU 2433 CA VAL A 306 993 1246 1132 197 61 -202 C +ATOM 2434 C VAL A 306 -6.970 -20.393 12.414 1.00 8.51 C +ANISOU 2434 C VAL A 306 938 1255 1041 2 123 -274 C +ATOM 2435 O VAL A 306 -6.993 -21.627 12.419 1.00 8.40 O +ANISOU 2435 O VAL A 306 965 1304 921 82 21 -219 O +ATOM 2436 CB VAL A 306 -4.815 -19.060 12.391 1.00 9.43 C +ANISOU 2436 CB VAL A 306 1039 1321 1225 154 -13 -275 C +ATOM 2437 CG1 VAL A 306 -4.248 -20.122 13.318 1.00 10.13 C +ANISOU 2437 CG1 VAL A 306 1163 1423 1264 228 -142 -327 C +ATOM 2438 CG2 VAL A 306 -3.700 -18.534 11.486 1.00 9.73 C +ANISOU 2438 CG2 VAL A 306 1092 1308 1297 145 27 -367 C +ATOM 2439 N LYS A 307 -7.809 -19.673 13.152 1.00 9.22 N +ANISOU 2439 N LYS A 307 1039 1392 1074 96 241 -240 N +ATOM 2440 CA LYS A 307 -8.799 -20.334 13.991 1.00 9.34 C +ANISOU 2440 CA LYS A 307 1095 1367 1086 51 285 -256 C +ATOM 2441 C LYS A 307 -9.784 -21.166 13.180 1.00 9.34 C +ANISOU 2441 C LYS A 307 1117 1333 1097 61 177 -204 C +ATOM 2442 O LYS A 307 -10.097 -22.293 13.564 1.00 9.86 O +ANISOU 2442 O LYS A 307 1187 1455 1105 87 246 -107 O +ATOM 2443 CB LYS A 307 -9.558 -19.313 14.843 1.00 10.23 C +ANISOU 2443 CB LYS A 307 1321 1399 1166 173 352 -291 C +ATOM 2444 CG LYS A 307 -8.676 -18.580 15.853 1.00 11.24 C +ANISOU 2444 CG LYS A 307 1508 1483 1280 123 465 -429 C +ATOM 2445 CD LYS A 307 -9.437 -17.476 16.552 1.00 12.43 C +ANISOU 2445 CD LYS A 307 1630 1662 1432 64 490 -532 C +ATOM 2446 CE LYS A 307 -8.597 -16.767 17.611 1.00 13.64 C +ANISOU 2446 CE LYS A 307 1789 1783 1611 -5 489 -634 C +ATOM 2447 NZ LYS A 307 -9.278 -15.563 18.147 1.00 14.97 N +ANISOU 2447 NZ LYS A 307 2052 1892 1742 27 429 -707 N +ATOM 2448 N GLN A 308 -10.260 -20.621 12.068 1.00 9.50 N +ANISOU 2448 N GLN A 308 1120 1324 1164 110 168 -96 N +ATOM 2449 CA GLN A 308 -11.198 -21.328 11.210 1.00 9.80 C +ANISOU 2449 CA GLN A 308 1128 1347 1248 16 4 -197 C +ATOM 2450 C GLN A 308 -10.595 -22.634 10.689 1.00 9.15 C +ANISOU 2450 C GLN A 308 1029 1296 1151 23 8 -220 C +ATOM 2451 O GLN A 308 -11.254 -23.671 10.647 1.00 9.35 O +ANISOU 2451 O GLN A 308 1030 1289 1232 46 -83 -154 O +ATOM 2452 CB GLN A 308 -11.600 -20.463 9.996 1.00 12.59 C +ANISOU 2452 CB GLN A 308 1469 1796 1520 271 -85 -191 C +ATOM 2453 CG GLN A 308 -12.496 -19.244 10.275 1.00 14.64 C +ANISOU 2453 CG GLN A 308 1796 2020 1748 493 -24 -262 C +ATOM 2454 CD GLN A 308 -12.429 -18.135 9.169 1.00 17.11 C +ANISOU 2454 CD GLN A 308 2132 2386 1983 661 71 -338 C +ATOM 2455 OE1 GLN A 308 -11.673 -18.214 8.175 1.00 16.79 O +ANISOU 2455 OE1 GLN A 308 2074 2300 2008 666 -83 -707 O +ATOM 2456 NE2 GLN A 308 -13.247 -17.111 9.347 1.00 20.01 N +ANISOU 2456 NE2 GLN A 308 2595 2832 2174 819 213 -178 N +ATOM 2457 N ALA A 309 -9.325 -22.579 10.291 1.00 8.42 N +ANISOU 2457 N ALA A 309 893 1242 1066 24 9 -229 N +ATOM 2458 CA ALA A 309 -8.658 -23.733 9.707 1.00 8.54 C +ANISOU 2458 CA ALA A 309 999 1259 989 115 34 -157 C +ATOM 2459 C ALA A 309 -8.503 -24.849 10.725 1.00 8.05 C +ANISOU 2459 C ALA A 309 952 1212 895 62 32 -215 C +ATOM 2460 O ALA A 309 -8.758 -26.005 10.419 1.00 8.75 O +ANISOU 2460 O ALA A 309 993 1383 947 39 20 -148 O +ATOM 2461 CB ALA A 309 -7.325 -23.325 9.141 1.00 9.11 C +ANISOU 2461 CB ALA A 309 1133 1334 994 233 48 -53 C +ATOM 2462 N PHE A 310 -8.065 -24.511 11.936 1.00 8.05 N +ANISOU 2462 N PHE A 310 979 1262 818 88 71 -25 N +ATOM 2463 CA PHE A 310 -7.948 -25.523 12.972 1.00 8.37 C +ANISOU 2463 CA PHE A 310 1028 1315 837 33 118 1 C +ATOM 2464 C PHE A 310 -9.332 -26.047 13.388 1.00 8.50 C +ANISOU 2464 C PHE A 310 988 1311 929 35 123 -84 C +ATOM 2465 O PHE A 310 -9.490 -27.249 13.605 1.00 8.93 O +ANISOU 2465 O PHE A 310 1046 1373 976 -1 44 -3 O +ATOM 2466 CB PHE A 310 -7.094 -25.035 14.151 1.00 8.91 C +ANISOU 2466 CB PHE A 310 1021 1484 879 166 91 -30 C +ATOM 2467 CG PHE A 310 -5.605 -25.078 13.862 1.00 8.97 C +ANISOU 2467 CG PHE A 310 981 1457 970 59 85 17 C +ATOM 2468 CD1 PHE A 310 -4.893 -26.243 14.050 1.00 9.85 C +ANISOU 2468 CD1 PHE A 310 1065 1578 1100 151 95 -14 C +ATOM 2469 CD2 PHE A 310 -4.938 -23.979 13.362 1.00 9.36 C +ANISOU 2469 CD2 PHE A 310 1060 1447 1052 158 71 49 C +ATOM 2470 CE1 PHE A 310 -3.534 -26.295 13.772 1.00 9.99 C +ANISOU 2470 CE1 PHE A 310 1064 1554 1177 159 104 -48 C +ATOM 2471 CE2 PHE A 310 -3.576 -24.037 13.079 1.00 9.56 C +ANISOU 2471 CE2 PHE A 310 1161 1393 1079 110 33 91 C +ATOM 2472 CZ PHE A 310 -2.880 -25.199 13.283 1.00 9.28 C +ANISOU 2472 CZ PHE A 310 973 1462 1089 -17 49 -60 C +ATOM 2473 N ASP A 311 -10.344 -25.174 13.414 1.00 8.81 N +ANISOU 2473 N ASP A 311 935 1375 1038 66 162 -88 N +ATOM 2474 CA ASP A 311 -11.702 -25.640 13.663 1.00 9.70 C +ANISOU 2474 CA ASP A 311 949 1528 1209 56 196 -82 C +ATOM 2475 C ASP A 311 -12.102 -26.663 12.607 1.00 8.87 C +ANISOU 2475 C ASP A 311 847 1377 1149 -124 283 49 C +ATOM 2476 O ASP A 311 -12.693 -27.703 12.913 1.00 9.99 O +ANISOU 2476 O ASP A 311 1031 1532 1231 -68 256 18 O +ATOM 2477 CB ASP A 311 -12.703 -24.481 13.597 1.00 11.35 C +ANISOU 2477 CB ASP A 311 991 1902 1420 187 128 -251 C +ATOM 2478 CG ASP A 311 -12.756 -23.641 14.853 1.00 13.57 C +ANISOU 2478 CG ASP A 311 1266 2216 1673 369 71 -405 C +ATOM 2479 OD1 ASP A 311 -12.125 -23.998 15.865 1.00 14.41 O +ANISOU 2479 OD1 ASP A 311 1439 2361 1673 430 177 -385 O +ATOM 2480 OD2 ASP A 311 -13.467 -22.609 14.824 1.00 16.17 O +ANISOU 2480 OD2 ASP A 311 1641 2605 1897 783 -120 -565 O +ATOM 2481 N ALA A 312 -11.786 -26.362 11.345 1.00 8.79 N +ANISOU 2481 N ALA A 312 882 1370 1087 -6 191 80 N +ATOM 2482 CA ALA A 312 -12.189 -27.204 10.227 1.00 9.09 C +ANISOU 2482 CA ALA A 312 995 1319 1140 64 -27 -3 C +ATOM 2483 C ALA A 312 -11.604 -28.605 10.332 1.00 9.49 C +ANISOU 2483 C ALA A 312 1034 1399 1173 110 -26 -79 C +ATOM 2484 O ALA A 312 -12.239 -29.572 9.914 1.00 10.53 O +ANISOU 2484 O ALA A 312 1205 1519 1278 94 -179 -169 O +ATOM 2485 CB ALA A 312 -11.792 -26.573 8.909 1.00 9.55 C +ANISOU 2485 CB ALA A 312 1054 1419 1157 100 -50 40 C +ATOM 2486 N VAL A 313 -10.383 -28.721 10.855 1.00 8.91 N +ANISOU 2486 N VAL A 313 872 1397 1117 178 73 -88 N +ATOM 2487 CA VAL A 313 -9.775 -30.047 11.029 1.00 9.00 C +ANISOU 2487 CA VAL A 313 997 1342 1081 121 33 -56 C +ATOM 2488 C VAL A 313 -9.963 -30.622 12.437 1.00 8.97 C +ANISOU 2488 C VAL A 313 1063 1279 1066 -37 81 -68 C +ATOM 2489 O VAL A 313 -9.362 -31.630 12.791 1.00 9.60 O +ANISOU 2489 O VAL A 313 1208 1291 1147 61 82 8 O +ATOM 2490 CB VAL A 313 -8.279 -30.069 10.619 1.00 9.00 C +ANISOU 2490 CB VAL A 313 1011 1343 1065 62 105 -72 C +ATOM 2491 CG1 VAL A 313 -8.119 -29.625 9.182 1.00 9.72 C +ANISOU 2491 CG1 VAL A 313 1085 1510 1096 206 116 -164 C +ATOM 2492 CG2 VAL A 313 -7.420 -29.206 11.528 1.00 9.26 C +ANISOU 2492 CG2 VAL A 313 1090 1343 1085 29 133 -48 C +ATOM 2493 N GLY A 314 -10.819 -30.006 13.239 1.00 8.99 N +ANISOU 2493 N GLY A 314 1013 1365 1039 -10 168 4 N +ATOM 2494 CA GLY A 314 -11.197 -30.577 14.525 1.00 9.51 C +ANISOU 2494 CA GLY A 314 1027 1557 1030 25 190 -4 C +ATOM 2495 C GLY A 314 -10.189 -30.438 15.652 1.00 9.49 C +ANISOU 2495 C GLY A 314 1079 1499 1028 -124 229 -17 C +ATOM 2496 O GLY A 314 -10.238 -31.222 16.600 1.00 10.09 O +ANISOU 2496 O GLY A 314 1225 1525 1082 -124 274 17 O +ATOM 2497 N VAL A 315 -9.291 -29.460 15.551 1.00 9.57 N +ANISOU 2497 N VAL A 315 1150 1458 1029 -142 111 -98 N +ATOM 2498 CA VAL A 315 -8.280 -29.200 16.563 1.00 10.25 C +ANISOU 2498 CA VAL A 315 1236 1526 1134 -187 146 -29 C +ATOM 2499 C VAL A 315 -8.613 -27.943 17.325 1.00 11.37 C +ANISOU 2499 C VAL A 315 1386 1728 1206 -170 151 -102 C +ATOM 2500 O VAL A 315 -8.630 -26.856 16.755 1.00 11.14 O +ANISOU 2500 O VAL A 315 1520 1563 1152 -40 16 -216 O +ATOM 2501 CB VAL A 315 -6.896 -29.064 15.903 1.00 9.83 C +ANISOU 2501 CB VAL A 315 1228 1408 1097 3 46 77 C +ATOM 2502 CG1 VAL A 315 -5.822 -28.622 16.910 1.00 10.15 C +ANISOU 2502 CG1 VAL A 315 1242 1423 1191 7 -51 12 C +ATOM 2503 CG2 VAL A 315 -6.498 -30.392 15.252 1.00 10.12 C +ANISOU 2503 CG2 VAL A 315 1343 1404 1096 197 1 33 C +ATOM 2504 N LYS A 316 -8.883 -28.096 18.618 1.00 12.98 N +ANISOU 2504 N LYS A 316 1539 2035 1357 -71 404 -30 N +ATOM 2505 CA LYS A 316 -9.204 -26.965 19.477 1.00 15.90 C +ANISOU 2505 CA LYS A 316 1806 2715 1520 314 447 -100 C +ATOM 2506 C LYS A 316 -8.051 -26.598 20.392 1.00 16.89 C +ANISOU 2506 C LYS A 316 2036 2821 1559 329 416 -350 C +ATOM 2507 O LYS A 316 -7.158 -27.394 20.561 1.00 17.40 O +ANISOU 2507 O LYS A 316 2014 3005 1592 293 217 -748 O +ATOM 2508 CB LYS A 316 -10.431 -27.297 20.332 1.00 19.34 C +ANISOU 2508 CB LYS A 316 2145 3415 1788 585 355 3 C +ATOM 2509 CG LYS A 316 -11.702 -27.396 19.517 1.00 23.10 C +ANISOU 2509 CG LYS A 316 2638 4092 2049 1062 279 49 C +ATOM 2510 CD LYS A 316 -12.096 -26.011 19.006 1.00 26.53 C +ANISOU 2510 CD LYS A 316 3107 4704 2269 1639 244 78 C +ATOM 2511 CE LYS A 316 -13.514 -25.974 18.471 1.00 28.86 C +ANISOU 2511 CE LYS A 316 3430 5140 2396 2072 301 82 C +ATOM 2512 NZ LYS A 316 -13.904 -24.593 18.094 1.00 30.22 N +ANISOU 2512 NZ LYS A 316 3655 5371 2456 2298 361 124 N +ATOM 2513 OXT LYS A 316 -8.014 -25.530 20.993 1.00 17.42 O +ANISOU 2513 OXT LYS A 316 2177 2858 1583 165 489 -249 O +TER 2514 LYS A 316 +HETATM 2515 C3 UBY A 401 16.197 -41.387 10.602 1.00 11.70 C +ANISOU 2515 C3 UBY A 401 2181 1427 837 -287 -130 125 C +HETATM 2516 C2 UBY A 401 17.429 -40.952 11.099 1.00 12.10 C +ANISOU 2516 C2 UBY A 401 2319 1410 868 -365 -75 67 C +HETATM 2517 C1 UBY A 401 17.520 -40.371 12.370 1.00 12.83 C +ANISOU 2517 C1 UBY A 401 2343 1642 888 -252 -128 72 C +HETATM 2518 C6 UBY A 401 16.363 -40.264 13.140 1.00 13.50 C +ANISOU 2518 C6 UBY A 401 2317 1850 960 36 -260 -217 C +HETATM 2519 C5 UBY A 401 15.133 -40.707 12.650 1.00 12.86 C +ANISOU 2519 C5 UBY A 401 2167 1805 915 122 -355 -272 C +HETATM 2520 C4 UBY A 401 15.046 -41.256 11.378 1.00 11.98 C +ANISOU 2520 C4 UBY A 401 2089 1608 855 1 -323 25 C +HETATM 2521 C7 UBY A 401 13.720 -41.750 10.867 1.00 12.43 C +ANISOU 2521 C7 UBY A 401 2111 1717 897 317 -422 210 C +HETATM 2522 O8 AUBY A 401 12.969 -40.801 10.119 0.63 12.77 O +ANISOU 2522 O8 AUBY A 401 2047 1874 930 461 -444 -59 O +HETATM 2523 O8 BUBY A 401 13.186 -40.633 10.166 0.37 13.52 O +ANISOU 2523 O8 BUBY A 401 2234 1961 941 587 -385 103 O +HETATM 2524 C9 AUBY A 401 12.981 -40.928 8.705 0.63 10.36 C +ANISOU 2524 C9 AUBY A 401 1707 1409 822 26 -305 9 C +HETATM 2525 C9 BUBY A 401 12.601 -40.895 8.896 0.37 12.03 C +ANISOU 2525 C9 BUBY A 401 2022 1732 816 375 -307 95 C +HETATM 2526 O21AUBY A 401 13.744 -41.732 8.162 0.63 10.01 O +ANISOU 2526 O21AUBY A 401 1652 1317 834 -120 -187 79 O +HETATM 2527 O21BUBY A 401 12.101 -41.986 8.758 0.37 12.72 O +ANISOU 2527 O21BUBY A 401 2185 1793 854 353 -242 233 O +HETATM 2528 N10AUBY A 401 12.170 -40.120 8.080 0.63 9.55 N +ANISOU 2528 N10AUBY A 401 1688 1229 712 117 -280 56 N +HETATM 2529 N10BUBY A 401 12.625 -39.965 7.963 0.37 9.81 N +ANISOU 2529 N10BUBY A 401 1726 1351 652 210 -329 14 N +HETATM 2530 C11 UBY A 401 12.039 -40.137 6.646 1.00 7.73 C +ANISOU 2530 C11 UBY A 401 1351 1103 484 -84 -303 71 C +HETATM 2531 P12 UBY A 401 11.537 -38.538 5.972 1.00 5.21 P +ANISOU 2531 P12 UBY A 401 725 897 357 -104 -102 -34 P +HETATM 2532 O22 UBY A 401 12.618 -37.559 6.228 1.00 6.07 O +ANISOU 2532 O22 UBY A 401 804 1070 431 -165 -103 -87 O +HETATM 2533 O23 UBY A 401 10.193 -38.104 6.540 1.00 5.43 O +ANISOU 2533 O23 UBY A 401 759 904 402 -63 -30 -109 O +HETATM 2534 N13 UBY A 401 11.335 -38.866 4.361 1.00 5.49 N +ANISOU 2534 N13 UBY A 401 678 1066 342 -75 -156 -16 N +HETATM 2535 C14 UBY A 401 10.154 -38.419 3.632 1.00 5.46 C +ANISOU 2535 C14 UBY A 401 651 1097 326 -169 -98 50 C +HETATM 2536 C15 UBY A 401 8.954 -39.292 3.857 1.00 6.07 C +ANISOU 2536 C15 UBY A 401 727 1066 512 -51 -74 -7 C +HETATM 2537 O24 UBY A 401 7.813 -38.805 3.898 1.00 5.89 O +ANISOU 2537 O24 UBY A 401 674 1037 526 -101 -70 -2 O +HETATM 2538 C20 UBY A 401 10.501 -38.460 2.138 1.00 5.79 C +ANISOU 2538 C20 UBY A 401 780 1106 312 -144 -20 96 C +HETATM 2539 C21 UBY A 401 9.402 -37.935 1.225 1.00 6.39 C +ANISOU 2539 C21 UBY A 401 958 1096 372 -202 -119 17 C +HETATM 2540 C22 UBY A 401 9.215 -36.427 1.372 1.00 7.06 C +ANISOU 2540 C22 UBY A 401 1066 1137 481 -81 -31 75 C +HETATM 2541 C23 UBY A 401 9.642 -38.337 -0.224 1.00 6.80 C +ANISOU 2541 C23 UBY A 401 1094 1131 358 -238 -58 -55 C +HETATM 2542 N16 UBY A 401 9.179 -40.605 3.952 1.00 6.61 N +ANISOU 2542 N16 UBY A 401 906 903 702 -163 -87 -16 N +HETATM 2543 C17 UBY A 401 8.121 -41.611 4.078 1.00 7.83 C +ANISOU 2543 C17 UBY A 401 1057 1025 892 -147 63 -57 C +HETATM 2544 C18 UBY A 401 8.288 -42.468 5.302 1.00 7.98 C +ANISOU 2544 C18 UBY A 401 1009 996 1027 -378 196 -11 C +HETATM 2545 O32 UBY A 401 7.272 -43.079 5.706 1.00 10.00 O +ANISOU 2545 O32 UBY A 401 1178 1402 1217 -361 202 11 O +HETATM 2546 C25 UBY A 401 8.152 -42.499 2.829 1.00 8.38 C +ANISOU 2546 C25 UBY A 401 1127 1124 935 -127 -22 -128 C +HETATM 2547 O19 UBY A 401 9.415 -42.555 5.836 1.00 8.13 O +ANISOU 2547 O19 UBY A 401 1097 1081 913 -115 218 -4 O +HETATM 2548 C1 AGOL A 402 11.103 -23.279 22.188 0.57 18.55 C +ANISOU 2548 C1 AGOL A 402 2047 2796 2204 -689 35 -528 C +HETATM 2549 C1 BGOL A 402 10.986 -23.277 21.618 0.43 19.21 C +ANISOU 2549 C1 BGOL A 402 2214 2728 2357 -785 64 -404 C +HETATM 2550 O1 AGOL A 402 12.104 -23.459 21.166 0.57 16.85 O +ANISOU 2550 O1 AGOL A 402 1786 2555 2061 -916 50 -547 O +HETATM 2551 O1 BGOL A 402 11.127 -24.245 22.647 0.43 17.49 O +ANISOU 2551 O1 BGOL A 402 1978 2417 2251 -1161 84 -282 O +HETATM 2552 C2 GOL A 402 10.393 -21.925 22.049 1.00 19.55 C +ANISOU 2552 C2 GOL A 402 2314 2742 2373 -577 24 -476 C +HETATM 2553 O2 GOL A 402 11.369 -20.932 22.361 1.00 19.96 O +ANISOU 2553 O2 GOL A 402 2449 2654 2482 -450 23 -470 O +HETATM 2554 C3 GOL A 402 9.340 -21.881 23.155 1.00 20.42 C +ANISOU 2554 C3 GOL A 402 2472 2893 2395 -411 -123 -521 C +HETATM 2555 O3 GOL A 402 9.905 -22.094 24.450 1.00 20.10 O +ANISOU 2555 O3 GOL A 402 2520 2695 2422 -574 -347 -742 O +HETATM 2556 C1 GOL A 403 22.507 -43.846 -11.539 1.00 28.80 C +ANISOU 2556 C1 GOL A 403 3708 4013 3219 -648 -319 -460 C +HETATM 2557 O1 GOL A 403 22.797 -44.067 -12.936 1.00 27.90 O +ANISOU 2557 O1 GOL A 403 3667 3769 3163 -753 -328 -418 O +HETATM 2558 C2 GOL A 403 21.644 -42.612 -11.212 1.00 29.46 C +ANISOU 2558 C2 GOL A 403 3723 4239 3230 -533 -321 -511 C +HETATM 2559 O2 GOL A 403 20.785 -42.983 -10.127 1.00 29.99 O +ANISOU 2559 O2 GOL A 403 3702 4416 3276 -379 -348 -569 O +HETATM 2560 C3 GOL A 403 20.764 -42.157 -12.378 1.00 29.70 C +ANISOU 2560 C3 GOL A 403 3833 4218 3233 -521 -254 -497 C +HETATM 2561 O3 GOL A 403 19.949 -41.025 -12.015 1.00 28.69 O +ANISOU 2561 O3 GOL A 403 3836 3899 3165 -742 -185 -556 O +HETATM 2562 C1 GOL A 404 13.257 -47.381 3.777 1.00 14.37 C +ANISOU 2562 C1 GOL A 404 1861 1926 1671 -1 42 -160 C +HETATM 2563 O1 GOL A 404 12.205 -46.550 4.278 1.00 12.85 O +ANISOU 2563 O1 GOL A 404 1710 1521 1652 16 -11 79 O +HETATM 2564 C2 GOL A 404 12.857 -47.880 2.392 1.00 14.69 C +ANISOU 2564 C2 GOL A 404 1710 2223 1648 -240 15 -214 C +HETATM 2565 O2 GOL A 404 11.640 -48.647 2.466 1.00 15.41 O +ANISOU 2565 O2 GOL A 404 1696 2405 1755 -438 126 -106 O +HETATM 2566 C3 GOL A 404 13.924 -48.786 1.801 1.00 14.16 C +ANISOU 2566 C3 GOL A 404 1743 2090 1546 -57 -39 -136 C +HETATM 2567 O3 GOL A 404 13.582 -49.012 0.422 1.00 11.61 O +ANISOU 2567 O3 GOL A 404 1606 1431 1375 -323 43 13 O +HETATM 2568 C1 GOL A 405 13.662 -37.687 12.077 1.00 11.98 C +ANISOU 2568 C1 GOL A 405 1386 1974 1192 114 86 107 C +HETATM 2569 O1 GOL A 405 13.053 -36.420 12.375 1.00 12.28 O +ANISOU 2569 O1 GOL A 405 1210 2209 1247 -7 64 472 O +HETATM 2570 C2 GOL A 405 14.481 -37.665 10.801 1.00 11.55 C +ANISOU 2570 C2 GOL A 405 1433 1838 1115 -64 22 79 C +HETATM 2571 O2 GOL A 405 15.498 -36.681 10.944 1.00 10.95 O +ANISOU 2571 O2 GOL A 405 1275 1785 1101 -340 55 -38 O +HETATM 2572 C3 GOL A 405 13.627 -37.280 9.601 1.00 10.61 C +ANISOU 2572 C3 GOL A 405 1350 1766 917 53 -69 51 C +HETATM 2573 O3 GOL A 405 14.367 -37.410 8.371 1.00 7.11 O +ANISOU 2573 O3 GOL A 405 816 1330 555 -129 -27 24 O +HETATM 2574 S DMS A 406 15.011 -44.940 8.091 1.00 24.05 S +ANISOU 2574 S DMS A 406 2233 4477 2430 -216 -331 1133 S +HETATM 2575 O DMS A 406 15.290 -46.705 8.278 1.00 26.75 O +ANISOU 2575 O DMS A 406 2695 4928 2541 331 -195 1061 O +HETATM 2576 C1 DMS A 406 16.561 -44.093 7.926 1.00 21.33 C +ANISOU 2576 C1 DMS A 406 1975 3763 2367 -703 -226 1230 C +HETATM 2577 C2 DMS A 406 14.154 -44.539 6.568 1.00 23.83 C +ANISOU 2577 C2 DMS A 406 2173 4505 2375 15 -395 1082 C +HETATM 2578 S DMS A 407 37.003 -22.645 -1.003 1.00 21.67 S +ANISOU 2578 S DMS A 407 2658 3052 2521 -153 -50 -214 S +HETATM 2579 O DMS A 407 38.712 -22.615 -0.576 1.00 20.97 O +ANISOU 2579 O DMS A 407 2599 2889 2480 -208 -43 -73 O +HETATM 2580 C1 DMS A 407 36.149 -22.869 0.555 1.00 21.33 C +ANISOU 2580 C1 DMS A 407 2650 2978 2475 -301 60 -137 C +HETATM 2581 C2 DMS A 407 36.623 -21.005 -1.625 1.00 22.20 C +ANISOU 2581 C2 DMS A 407 2792 3049 2595 -32 -88 -205 C +HETATM 2582 S DMS A 408 -15.962 -35.143 11.865 1.00 28.89 S +ANISOU 2582 S DMS A 408 4023 3419 3533 410 -258 236 S +HETATM 2583 O DMS A 408 -16.229 -33.544 11.119 1.00 28.95 O +ANISOU 2583 O DMS A 408 4101 3398 3499 428 -305 338 O +HETATM 2584 C1 DMS A 408 -17.266 -35.545 13.033 1.00 27.82 C +ANISOU 2584 C1 DMS A 408 3926 3144 3500 199 -209 297 C +HETATM 2585 C2 DMS A 408 -16.012 -36.315 10.509 1.00 28.67 C +ANISOU 2585 C2 DMS A 408 4075 3334 3485 328 -311 122 C +HETATM 2586 S DMS A 409 43.535 -24.406 -6.488 1.00 35.75 S +ANISOU 2586 S DMS A 409 4387 4808 4389 -37 45 -48 S +HETATM 2587 O DMS A 409 43.572 -25.392 -4.978 1.00 35.90 O +ANISOU 2587 O DMS A 409 4375 4882 4385 -84 69 -8 O +HETATM 2588 C1 DMS A 409 42.421 -25.140 -7.693 1.00 35.22 C +ANISOU 2588 C1 DMS A 409 4305 4715 4361 -171 30 -57 C +HETATM 2589 C2 DMS A 409 42.946 -22.737 -6.167 1.00 34.67 C +ANISOU 2589 C2 DMS A 409 4289 4531 4353 -140 47 -11 C +HETATM 2590 ZN ZN A 410 9.945 -36.203 7.036 1.00 5.43 ZN +ANISOU 2590 ZN ZN A 410 776 930 358 -86 -76 -26 ZN +HETATM 2591 CA CA A 411 5.182 -29.990 -8.359 1.00 9.24 CA +ANISOU 2591 CA CA A 411 1307 1557 645 76 -321 -99 CA +HETATM 2592 CA CA A 412 4.959 -30.928 -4.687 1.00 6.91 CA +ANISOU 2592 CA CA A 412 865 1251 510 -11 -291 -90 CA +HETATM 2593 CA CA A 413 3.778 -41.065 -10.180 1.00 10.82 CA +ANISOU 2593 CA CA A 413 1319 1567 1224 15 -550 -433 CA +HETATM 2594 CA CA A 414 31.946 -34.905 -15.763 1.00 7.29 CA +ANISOU 2594 CA CA A 414 1257 1146 365 85 96 47 CA +HETATM 2595 O HOH A 501 -4.941 -23.710 24.010 1.00 27.86 O +ANISOU 2595 O HOH A 501 2968 4037 3579 -177 282 704 O +HETATM 2596 O HOH A 502 -7.857 -41.719 -3.901 1.00 29.70 O +ANISOU 2596 O HOH A 502 3410 4363 3512 -16 -765 -1294 O +HETATM 2597 O HOH A 503 41.641 -28.661 1.147 1.00 33.78 O +ANISOU 2597 O HOH A 503 2359 3704 6773 312 -1247 1035 O +HETATM 2598 O HOH A 504 30.596 -39.724 -7.652 1.00 28.30 O +ANISOU 2598 O HOH A 504 2536 3061 5154 361 500 2075 O +HETATM 2599 O HOH A 505 18.362 -48.265 -6.911 1.00 34.62 O +ANISOU 2599 O HOH A 505 3977 3709 5467 -1833 359 -1568 O +HETATM 2600 O HOH A 506 6.299 -11.433 20.270 1.00 37.28 O +ANISOU 2600 O HOH A 506 3409 7398 3359 -1424 289 -2288 O +HETATM 2601 O HOH A 507 3.897 -11.913 21.709 1.00 29.53 O +ANISOU 2601 O HOH A 507 4142 3933 3144 583 -396 -957 O +HETATM 2602 O HOH A 508 -3.673 -27.153 24.659 1.00 32.71 O +ANISOU 2602 O HOH A 508 3044 6269 3113 549 -265 -1783 O +HETATM 2603 O HOH A 509 -14.385 -16.528 11.732 1.00 35.57 O +ANISOU 2603 O HOH A 509 3169 5922 4424 1934 -999 -2347 O +HETATM 2604 O HOH A 510 -6.605 -34.963 22.383 1.00 35.33 O +ANISOU 2604 O HOH A 510 3607 7468 2348 -332 334 -93 O +HETATM 2605 O HOH A 511 -2.445 -24.876 24.457 1.00 36.43 O +ANISOU 2605 O HOH A 511 3527 5046 5270 1157 684 1824 O +HETATM 2606 O HOH A 512 -15.493 -22.241 13.137 1.00 33.13 O +ANISOU 2606 O HOH A 512 3572 5581 3434 2092 -1354 -1612 O +HETATM 2607 O HOH A 513 9.254 -17.011 -6.225 1.00 32.93 O +ANISOU 2607 O HOH A 513 5858 2273 4382 1025 484 1164 O +HETATM 2608 O HOH A 514 -4.795 -14.863 -0.665 1.00 37.45 O +ANISOU 2608 O HOH A 514 5448 3542 5238 -498 -2605 1608 O +HETATM 2609 O HOH A 515 6.563 -49.545 14.444 1.00 34.11 O +ANISOU 2609 O HOH A 515 4199 2433 6328 -449 1099 11 O +HETATM 2610 O HOH A 516 9.665 -45.158 9.613 1.00 38.54 O +ANISOU 2610 O HOH A 516 3014 6355 5275 1391 1386 2926 O +HETATM 2611 O HOH A 517 6.030 -47.222 8.052 1.00 34.51 O +ANISOU 2611 O HOH A 517 5633 3439 4042 -928 2022 -668 O +HETATM 2612 O HOH A 518 5.169 -27.336 25.364 1.00 39.37 O +ANISOU 2612 O HOH A 518 3965 4989 6002 -247 1935 -2274 O +HETATM 2613 O HOH A 519 44.356 -27.675 -8.971 1.00 31.62 O +ANISOU 2613 O HOH A 519 3947 4820 3249 -1380 480 915 O +HETATM 2614 O HOH A 520 15.470 -14.366 11.492 1.00 37.87 O +ANISOU 2614 O HOH A 520 5352 4858 4178 -183 1958 -1006 O +HETATM 2615 O HOH A 521 31.855 -44.099 3.232 1.00 37.21 O +ANISOU 2615 O HOH A 521 6643 3358 4137 -2127 -598 1157 O +HETATM 2616 O HOH A 522 35.873 -28.906 -18.653 1.00 34.32 O +ANISOU 2616 O HOH A 522 6590 2551 3897 -458 2737 -33 O +HETATM 2617 O HOH A 523 -4.353 -27.849 -5.004 1.00 31.87 O +ANISOU 2617 O HOH A 523 4394 5861 1854 70 -266 -943 O +HETATM 2618 O HOH A 524 -14.290 -20.423 12.058 1.00 35.73 O +ANISOU 2618 O HOH A 524 2298 5318 5960 1582 57 -474 O +HETATM 2619 O HOH A 525 38.615 -30.431 -17.508 1.00 37.86 O +ANISOU 2619 O HOH A 525 3830 4384 6173 -1745 2193 -2381 O +HETATM 2620 O HOH A 526 -15.849 -16.288 2.239 1.00 36.97 O +ANISOU 2620 O HOH A 526 4974 6630 2444 -1897 -807 -419 O +HETATM 2621 O HOH A 527 -2.468 -23.384 -5.118 1.00 38.36 O +ANISOU 2621 O HOH A 527 4348 4311 5918 1024 -2149 1196 O +HETATM 2622 O HOH A 528 32.289 -33.414 -21.019 1.00 34.78 O +ANISOU 2622 O HOH A 528 5083 5184 2948 326 -244 751 O +HETATM 2623 O HOH A 529 -5.262 -39.290 21.172 1.00 39.31 O +ANISOU 2623 O HOH A 529 5412 4460 5063 -1313 1874 1316 O +HETATM 2624 O HOH A 530 24.382 -19.785 -17.821 1.00 39.39 O +ANISOU 2624 O HOH A 530 5928 5339 3700 482 -224 2523 O +HETATM 2625 O HOH A 531 40.429 -26.394 -18.179 1.00 35.91 O +ANISOU 2625 O HOH A 531 5527 3825 4292 -913 2321 170 O +HETATM 2626 O HOH A 532 4.449 -40.635 -14.621 1.00 30.26 O +ANISOU 2626 O HOH A 532 5402 3874 2221 428 -151 -228 O +HETATM 2627 O HOH A 533 -11.779 -10.907 14.019 1.00 39.53 O +ANISOU 2627 O HOH A 533 2608 3342 9070 568 456 242 O +HETATM 2628 O HOH A 534 -3.939 -40.132 -7.966 1.00 41.12 O +ANISOU 2628 O HOH A 534 2756 6620 6248 -623 -677 819 O +HETATM 2629 O HOH A 535 6.677 -43.576 25.732 1.00 39.79 O +ANISOU 2629 O HOH A 535 3166 4893 7061 39 -902 2966 O +HETATM 2630 O HOH A 536 3.008 -11.224 3.181 1.00 37.38 O +ANISOU 2630 O HOH A 536 3584 4123 6496 -1157 1874 -1669 O +HETATM 2631 O HOH A 537 28.048 -15.665 1.437 1.00 39.25 O +ANISOU 2631 O HOH A 537 5286 3475 6150 -755 -152 1357 O +HETATM 2632 O HOH A 538 14.808 -52.030 -9.001 1.00 37.96 O +ANISOU 2632 O HOH A 538 6093 3735 4594 2368 -1010 -1376 O +HETATM 2633 O HOH A 539 4.027 -43.699 22.228 1.00 33.28 O +ANISOU 2633 O HOH A 539 5878 2663 4102 234 -619 1631 O +HETATM 2634 O HOH A 540 12.336 -11.940 6.950 1.00 35.94 O +ANISOU 2634 O HOH A 540 5878 3471 4309 -51 388 -1365 O +HETATM 2635 O HOH A 541 5.041 -16.111 -2.808 1.00 39.76 O +ANISOU 2635 O HOH A 541 8237 3039 3831 1438 -1960 17 O +HETATM 2636 O HOH A 542 0.246 -43.700 19.043 1.00 43.37 O +ANISOU 2636 O HOH A 542 4691 5585 6203 -1585 -1022 2617 O +HETATM 2637 O HOH A 543 14.447 -37.371 -19.797 1.00 44.14 O +ANISOU 2637 O HOH A 543 7554 5121 4097 -514 -376 98 O +HETATM 2638 O HOH A 544 -17.430 -23.762 12.993 1.00 36.76 O +ANISOU 2638 O HOH A 544 5364 6132 2470 586 22 -759 O +HETATM 2639 O HOH A 545 7.182 -52.263 -7.154 1.00 46.82 O +ANISOU 2639 O HOH A 545 6700 4360 6728 -2850 -524 -956 O +HETATM 2640 O HOH A 546 5.191 -9.559 8.446 1.00 44.67 O +ANISOU 2640 O HOH A 546 3508 5960 7505 248 293 1802 O +HETATM 2641 O HOH A 547 27.677 -33.702 8.675 1.00 34.00 O +ANISOU 2641 O HOH A 547 5833 4296 2790 -1916 1220 374 O +HETATM 2642 O HOH A 548 -1.077 -21.140 25.174 1.00 39.56 O +ANISOU 2642 O HOH A 548 8809 3717 2503 1067 697 -322 O +HETATM 2643 O HOH A 549 -18.130 -27.622 12.986 1.00 41.25 O +ANISOU 2643 O HOH A 549 5830 5686 4159 1238 2718 593 O +HETATM 2644 O HOH A 550 -10.624 -9.636 5.386 1.00 43.24 O +ANISOU 2644 O HOH A 550 5942 5277 5208 1970 -2289 66 O +HETATM 2645 O HOH A 551 23.622 -51.640 -7.790 1.00 45.14 O +ANISOU 2645 O HOH A 551 5895 7244 4012 -3094 -1421 2381 O +HETATM 2646 O HOH A 552 -1.162 -41.362 -17.856 1.00 41.75 O +ANISOU 2646 O HOH A 552 4490 8171 3203 -883 -1466 -525 O +HETATM 2647 O HOH A 553 5.254 -11.932 3.582 1.00 39.03 O +ANISOU 2647 O HOH A 553 4296 3745 6789 1868 -223 1020 O +HETATM 2648 O HOH A 554 14.826 -11.515 11.268 1.00 42.08 O +ANISOU 2648 O HOH A 554 5219 6156 4613 -1324 1729 -2778 O +HETATM 2649 O HOH A 555 -9.313 -34.502 22.445 1.00 46.01 O +ANISOU 2649 O HOH A 555 4400 8088 4995 1190 1477 2966 O +HETATM 2650 O HOH A 556 1.525 -38.955 22.930 1.00 41.20 O +ANISOU 2650 O HOH A 556 7493 3799 4364 1871 1285 1047 O +HETATM 2651 O HOH A 557 33.742 -42.978 3.207 1.00 36.93 O +ANISOU 2651 O HOH A 557 3252 6441 4339 1370 -21 -1944 O +HETATM 2652 O HOH A 558 8.471 -11.132 12.501 1.00 41.33 O +ANISOU 2652 O HOH A 558 3244 3243 9215 355 -1699 -1278 O +HETATM 2653 O HOH A 559 19.071 -9.259 6.830 1.00 46.77 O +ANISOU 2653 O HOH A 559 7038 4510 6221 -1662 -996 -954 O +HETATM 2654 O HOH A 560 -7.813 -30.360 22.789 1.00 41.71 O +ANISOU 2654 O HOH A 560 5633 7307 2906 -1806 518 54 O +HETATM 2655 O HOH A 561 7.800 -40.454 26.492 1.00 37.04 O +ANISOU 2655 O HOH A 561 2978 3904 7190 733 294 -957 O +HETATM 2656 O HOH A 562 36.235 -38.942 2.170 1.00 42.35 O +ANISOU 2656 O HOH A 562 4781 4190 7121 -199 -2177 2331 O +HETATM 2657 O HOH A 563 -16.311 -25.880 14.058 1.00 34.86 O +ANISOU 2657 O HOH A 563 3567 5456 4221 -87 -40 -661 O +HETATM 2658 O HOH A 564 7.547 -48.328 -13.223 1.00 43.19 O +ANISOU 2658 O HOH A 564 8498 4300 3612 1980 -907 -702 O +HETATM 2659 O HOH A 565 8.484 -10.627 10.072 1.00 46.56 O +ANISOU 2659 O HOH A 565 5893 6087 5711 -2057 1316 -1985 O +HETATM 2660 O HOH A 566 18.843 -9.808 12.966 1.00 33.55 O +ANISOU 2660 O HOH A 566 3735 6661 2351 -1215 -712 138 O +HETATM 2661 O HOH A 567 31.224 -26.122 13.335 1.00 43.69 O +ANISOU 2661 O HOH A 567 6025 5716 4860 271 -2717 898 O +HETATM 2662 O HOH A 568 -2.257 -20.877 -5.869 1.00 39.42 O +ANISOU 2662 O HOH A 568 5183 7057 2738 -248 -1671 696 O +HETATM 2663 O HOH A 569 17.891 -11.964 4.457 1.00 37.23 O +ANISOU 2663 O HOH A 569 5841 2290 6016 -1305 -101 -1032 O +HETATM 2664 O HOH A 570 4.110 -35.284 25.684 1.00 43.16 O +ANISOU 2664 O HOH A 570 5839 4994 5565 -1210 -66 2002 O +HETATM 2665 O HOH A 571 0.614 -46.969 -6.234 1.00 44.66 O +ANISOU 2665 O HOH A 571 7427 3669 5872 -397 -1741 -1325 O +HETATM 2666 O HOH A 572 32.855 -18.969 -10.917 0.50 10.24 O +ANISOU 2666 O HOH A 572 1260 1349 1283 77 101 176 O +HETATM 2667 O HOH A 573 28.150 -37.210 10.917 0.50 34.05 O +ANISOU 2667 O HOH A 573 3122 2789 7028 288 934 -1619 O +HETATM 2668 O HOH A 574 -10.828 -27.867 1.175 1.00 29.94 O +ANISOU 2668 O HOH A 574 2913 4367 4097 1583 -1438 -2241 O +HETATM 2669 O HOH A 575 5.147 -39.106 22.476 1.00 33.46 O +ANISOU 2669 O HOH A 575 5408 3911 3396 -1595 -218 -895 O +HETATM 2670 O HOH A 576 4.204 -36.074 6.443 1.00 6.72 O +ANISOU 2670 O HOH A 576 897 1249 408 -175 -83 -9 O +HETATM 2671 O HOH A 577 -0.303 -41.360 17.631 1.00 25.12 O +ANISOU 2671 O HOH A 577 2027 4256 3260 -123 907 -942 O +HETATM 2672 O HOH A 578 -1.271 -18.491 -2.003 1.00 23.18 O +ANISOU 2672 O HOH A 578 3026 4463 1318 652 -475 -175 O +HETATM 2673 O HOH A 579 15.644 -42.059 -12.876 1.00 29.98 O +ANISOU 2673 O HOH A 579 3767 5921 1702 -170 570 149 O +HETATM 2674 O HOH A 580 34.030 -33.224 3.426 1.00 34.22 O +ANISOU 2674 O HOH A 580 2619 4763 5618 330 -885 -2848 O +HETATM 2675 O HOH A 581 8.367 -17.288 -0.981 1.00 32.02 O +ANISOU 2675 O HOH A 581 2298 4015 5855 -143 -428 227 O +HETATM 2676 O HOH A 582 -0.832 -43.302 -15.309 1.00 32.10 O +ANISOU 2676 O HOH A 582 3615 4924 3656 330 -1735 -1535 O +HETATM 2677 O HOH A 583 4.207 -45.900 -1.322 1.00 39.96 O +ANISOU 2677 O HOH A 583 6077 5561 3544 -48 1579 1267 O +HETATM 2678 O HOH A 584 -1.608 -7.829 3.412 1.00 39.43 O +ANISOU 2678 O HOH A 584 5014 2426 7540 -409 315 1411 O +HETATM 2679 O HOH A 585 1.258 -35.676 -10.121 1.00 37.50 O +ANISOU 2679 O HOH A 585 3758 6042 4450 -820 -2176 -798 O +HETATM 2680 O HOH A 586 13.530 -35.211 -20.307 1.00 43.13 O +ANISOU 2680 O HOH A 586 7730 4804 3854 -23 897 1317 O +HETATM 2681 O HOH A 587 23.849 -14.051 -4.040 1.00 44.08 O +ANISOU 2681 O HOH A 587 6028 2908 7811 -225 2501 150 O +HETATM 2682 O HOH A 588 36.025 -42.580 2.566 1.00 43.13 O +ANISOU 2682 O HOH A 588 4533 5430 6426 2043 1817 -637 O +HETATM 2683 O HOH A 589 26.165 -16.638 10.522 1.00 44.69 O +ANISOU 2683 O HOH A 589 3783 6885 6310 -1949 -1418 1356 O +HETATM 2684 O HOH A 590 -8.628 -44.197 -4.564 1.00 41.02 O +ANISOU 2684 O HOH A 590 4403 6521 4663 -51 542 -2300 O +HETATM 2685 O HOH A 591 10.992 -52.261 -1.201 1.00 37.46 O +ANISOU 2685 O HOH A 591 4804 4429 4999 395 626 151 O +HETATM 2686 O HOH A 592 19.654 -21.756 -12.148 1.00 40.02 O +ANISOU 2686 O HOH A 592 6643 4276 4288 1758 639 2051 O +HETATM 2687 O HOH A 593 21.259 -39.639 -18.841 1.00 42.25 O +ANISOU 2687 O HOH A 593 5211 6100 4740 1020 -710 -2532 O +HETATM 2688 O HOH A 594 38.330 -25.233 -19.511 1.00 43.60 O +ANISOU 2688 O HOH A 594 4688 6099 5780 -1239 -2224 -1136 O +HETATM 2689 O HOH A 595 8.421 -48.282 -0.325 1.00 40.37 O +ANISOU 2689 O HOH A 595 5192 5024 5121 -2185 813 -1077 O +HETATM 2690 O HOH A 596 -0.618 -43.357 1.723 1.00 13.67 O +ANISOU 2690 O HOH A 596 1772 1031 2391 -202 1075 -238 O +HETATM 2691 O HOH A 597 -15.404 -20.750 10.012 1.00 21.36 O +ANISOU 2691 O HOH A 597 3471 2782 1862 433 827 -488 O +HETATM 2692 O HOH A 598 3.974 -29.460 25.369 1.00 27.21 O +ANISOU 2692 O HOH A 598 2580 4946 2815 700 19 -1101 O +HETATM 2693 O HOH A 599 23.018 -50.934 1.706 1.00 17.86 O +ANISOU 2693 O HOH A 599 2349 1956 2482 289 -417 -215 O +HETATM 2694 O HOH A 600 3.317 -44.417 19.328 1.00 31.03 O +ANISOU 2694 O HOH A 600 5731 2532 3526 12 -1162 1235 O +HETATM 2695 O HOH A 601 45.441 -26.235 -10.917 0.50 32.86 O +ANISOU 2695 O HOH A 601 2613 3639 6235 888 1148 1988 O +HETATM 2696 O HOH A 602 30.506 -36.828 -11.796 1.00 7.04 O +ANISOU 2696 O HOH A 602 1198 1143 333 81 88 -17 O +HETATM 2697 O HOH A 603 -2.370 -7.893 7.340 1.00 34.31 O +ANISOU 2697 O HOH A 603 7012 2073 3952 -361 -1176 329 O +HETATM 2698 O HOH A 604 -3.100 -9.821 21.952 1.00 42.38 O +ANISOU 2698 O HOH A 604 6063 5532 4509 680 720 -2767 O +HETATM 2699 O HOH A 605 3.194 -32.183 -11.877 1.00 34.67 O +ANISOU 2699 O HOH A 605 3757 5627 3790 738 -1782 -1684 O +HETATM 2700 O HOH A 606 20.463 -46.549 -8.952 1.00 38.81 O +ANISOU 2700 O HOH A 606 4789 5238 4720 1816 -1230 -2690 O +HETATM 2701 O HOH A 607 -1.198 -44.160 -0.478 1.00 41.80 O +ANISOU 2701 O HOH A 607 7002 3611 5270 -186 -45 -2029 O +HETATM 2702 O HOH A 608 17.119 -24.491 -13.105 1.00 38.57 O +ANISOU 2702 O HOH A 608 6483 5180 2991 2896 471 1124 O +HETATM 2703 O HOH A 609 -1.105 -45.139 5.866 1.00 41.90 O +ANISOU 2703 O HOH A 609 5562 5474 4885 -3213 -441 -341 O +HETATM 2704 O HOH A 610 23.553 -11.349 1.897 1.00 40.94 O +ANISOU 2704 O HOH A 610 4682 4069 6802 -2524 475 38 O +HETATM 2705 O HOH A 611 -11.520 -10.582 10.259 1.00 42.72 O +ANISOU 2705 O HOH A 611 3134 5718 7378 1632 965 -8 O +HETATM 2706 O HOH A 612 -19.040 -23.368 10.713 1.00 41.43 O +ANISOU 2706 O HOH A 612 4452 5033 6256 -15 2083 -730 O +HETATM 2707 O HOH A 613 8.419 -13.756 0.390 1.00 49.70 O +ANISOU 2707 O HOH A 613 6187 5670 7026 1701 -2365 1880 O +HETATM 2708 O HOH A 614 -5.326 -15.081 21.497 1.00 45.98 O +ANISOU 2708 O HOH A 614 5551 6043 5878 1930 942 -2405 O +HETATM 2709 O HOH A 615 25.853 -12.626 7.656 1.00 44.47 O +ANISOU 2709 O HOH A 615 5920 6161 4816 -2731 -16 -1142 O +HETATM 2710 O HOH A 616 35.249 -33.781 -20.967 1.00 40.12 O +ANISOU 2710 O HOH A 616 5293 6366 3586 -1381 2218 -807 O +HETATM 2711 O HOH A 617 0.724 -6.878 15.846 1.00 44.08 O +ANISOU 2711 O HOH A 617 3783 5824 7142 761 682 -3194 O +HETATM 2712 O HOH A 618 -13.360 -12.332 10.334 1.00 41.37 O +ANISOU 2712 O HOH A 618 5483 4634 5601 1827 546 -739 O +HETATM 2713 O HOH A 619 29.435 -17.964 1.310 1.00 20.34 O +ANISOU 2713 O HOH A 619 3048 2551 2131 -781 849 -682 O +HETATM 2714 O HOH A 620 21.565 -12.064 9.569 1.00 23.11 O +ANISOU 2714 O HOH A 620 3099 3125 2556 244 244 -490 O +HETATM 2715 O HOH A 621 -13.300 -28.990 0.741 1.00 28.43 O +ANISOU 2715 O HOH A 621 1891 3536 5375 355 -858 -1860 O +HETATM 2716 O HOH A 622 8.578 -29.276 25.862 1.00 32.63 O +ANISOU 2716 O HOH A 622 4209 5186 3004 652 1144 1897 O +HETATM 2717 O HOH A 623 -13.955 -28.029 15.359 1.00 37.25 O +ANISOU 2717 O HOH A 623 4094 6243 3815 -695 2196 -316 O +HETATM 2718 O HOH A 624 31.016 -17.379 7.028 1.00 36.09 O +ANISOU 2718 O HOH A 624 5243 5243 3228 -1931 -215 -1147 O +HETATM 2719 O HOH A 625 17.849 -25.085 20.352 1.00 42.75 O +ANISOU 2719 O HOH A 625 5016 4886 6340 -2722 771 692 O +HETATM 2720 O HOH A 626 6.088 -25.412 27.177 1.00 36.55 O +ANISOU 2720 O HOH A 626 4256 6060 3571 638 1131 -1795 O +HETATM 2721 O HOH A 627 -3.141 -40.922 -10.454 1.00 38.25 O +ANISOU 2721 O HOH A 627 2765 6699 5070 -324 -229 -3119 O +HETATM 2722 O HOH A 628 -17.747 -31.999 11.879 1.00 45.47 O +ANISOU 2722 O HOH A 628 4101 7755 5421 945 938 1278 O +HETATM 2723 O HOH A 629 11.680 -44.241 -14.918 1.00 44.46 O +ANISOU 2723 O HOH A 629 4684 7423 4787 789 1964 427 O +HETATM 2724 O HOH A 630 -13.335 -19.325 14.507 1.00 39.40 O +ANISOU 2724 O HOH A 630 4210 5669 5093 -1968 1380 -100 O +HETATM 2725 O HOH A 631 7.226 -40.809 -15.492 1.00 42.62 O +ANISOU 2725 O HOH A 631 4860 7147 4188 -348 -2641 -405 O +HETATM 2726 O HOH A 632 6.360 -52.474 -9.387 1.00 46.78 O +ANISOU 2726 O HOH A 632 7439 4992 5342 -2347 135 -1026 O +HETATM 2727 O HOH A 633 1.267 -44.399 2.777 1.00 44.81 O +ANISOU 2727 O HOH A 633 5797 6509 4721 2639 1473 600 O +HETATM 2728 O HOH A 634 42.468 -27.590 -19.173 1.00 42.22 O +ANISOU 2728 O HOH A 634 6066 5357 4620 1318 1354 1546 O +HETATM 2729 O HOH A 635 14.194 -29.537 -19.623 1.00 47.24 O +ANISOU 2729 O HOH A 635 5262 7467 5219 1195 -2226 1589 O +HETATM 2730 O HOH A 636 6.571 -49.199 -1.908 1.00 44.48 O +ANISOU 2730 O HOH A 636 7532 3759 5609 -1682 609 1851 O +HETATM 2731 O HOH A 637 8.361 -52.155 -2.496 1.00 47.93 O +ANISOU 2731 O HOH A 637 7183 5787 5240 50 1654 2258 O +HETATM 2732 O HOH A 638 20.936 -14.509 13.581 1.00 19.78 O +ANISOU 2732 O HOH A 638 2858 2881 1777 -587 -102 -119 O +HETATM 2733 O HOH A 639 -14.685 -29.875 11.847 1.00 26.69 O +ANISOU 2733 O HOH A 639 2236 2954 4950 138 822 392 O +HETATM 2734 O HOH A 640 -8.439 -45.240 18.392 1.00 33.00 O +ANISOU 2734 O HOH A 640 4887 5518 2133 -862 -687 170 O +HETATM 2735 O HOH A 641 -13.267 -12.186 3.103 1.00 34.19 O +ANISOU 2735 O HOH A 641 3544 6504 2942 1155 -112 444 O +HETATM 2736 O HOH A 642 16.552 -20.219 20.152 1.00 34.27 O +ANISOU 2736 O HOH A 642 3827 4788 4407 -1522 978 -2523 O +HETATM 2737 O HOH A 643 25.056 -30.932 11.248 1.00 33.62 O +ANISOU 2737 O HOH A 643 3704 5872 3197 292 476 2311 O +HETATM 2738 O HOH A 644 16.685 -26.450 -14.890 1.00 33.09 O +ANISOU 2738 O HOH A 644 2520 5021 5033 824 653 1299 O +HETATM 2739 O HOH A 645 -2.156 -45.017 2.131 1.00 37.15 O +ANISOU 2739 O HOH A 645 4286 5413 4416 1127 750 -522 O +HETATM 2740 O HOH A 646 9.581 -33.409 -16.099 1.00 44.43 O +ANISOU 2740 O HOH A 646 5094 6940 4848 -171 -812 530 O +HETATM 2741 O HOH A 647 25.670 -30.660 14.481 1.00 39.57 O +ANISOU 2741 O HOH A 647 6155 4954 3926 -1733 -935 -143 O +HETATM 2742 O HOH A 648 4.576 -48.525 -5.955 1.00 38.68 O +ANISOU 2742 O HOH A 648 5152 4020 5523 336 -355 1225 O +HETATM 2743 O HOH A 649 2.989 -19.800 -8.408 1.00 40.30 O +ANISOU 2743 O HOH A 649 4576 5774 4964 627 300 920 O +HETATM 2744 O HOH A 650 -4.561 -7.824 8.460 1.00 38.93 O +ANISOU 2744 O HOH A 650 6646 2869 5278 1126 981 124 O +HETATM 2745 O HOH A 651 18.114 -39.595 -14.711 1.00 42.05 O +ANISOU 2745 O HOH A 651 6734 3973 5269 -364 -1003 -1680 O +HETATM 2746 O HOH A 652 -3.591 -44.638 -1.098 1.00 39.65 O +ANISOU 2746 O HOH A 652 5900 4129 5035 -1810 596 -960 O +HETATM 2747 O HOH A 653 8.315 -46.485 10.896 1.00 42.46 O +ANISOU 2747 O HOH A 653 5354 4740 6040 1922 1967 921 O +HETATM 2748 O HOH A 654 31.204 -22.513 -5.387 1.00 7.00 O +ANISOU 2748 O HOH A 654 1081 1102 477 -153 236 -21 O +HETATM 2749 O HOH A 655 0.272 -7.256 6.871 1.00 42.56 O +ANISOU 2749 O HOH A 655 6088 4912 5173 107 819 2038 O +HETATM 2750 O HOH A 656 25.900 -13.808 10.126 1.00 43.96 O +ANISOU 2750 O HOH A 656 5319 6924 4460 417 -968 -692 O +HETATM 2751 O HOH A 657 -15.389 -14.586 7.187 1.00 43.56 O +ANISOU 2751 O HOH A 657 4394 6646 5509 708 -412 -1541 O +HETATM 2752 O HOH A 658 26.412 -14.211 -8.228 1.00 41.52 O +ANISOU 2752 O HOH A 658 3793 6006 5979 1804 1055 468 O +HETATM 2753 O HOH A 659 30.634 -15.092 -1.509 1.00 43.86 O +ANISOU 2753 O HOH A 659 5771 5495 5398 165 953 1609 O +HETATM 2754 O HOH A 660 -0.967 -13.727 24.259 1.00 42.04 O +ANISOU 2754 O HOH A 660 5995 5931 4046 -475 796 -2140 O +HETATM 2755 O HOH A 661 -5.780 -9.325 5.406 1.00 44.70 O +ANISOU 2755 O HOH A 661 5150 6120 5712 369 29 1444 O +HETATM 2756 O HOH A 662 21.096 -13.129 -2.829 1.00 45.74 O +ANISOU 2756 O HOH A 662 6872 5420 5086 -1236 1372 711 O +HETATM 2757 O HOH A 663 38.626 -24.916 3.309 1.00 44.86 O +ANISOU 2757 O HOH A 663 5814 6220 5011 163 -1096 3 O +HETATM 2758 O HOH A 664 6.390 -10.214 15.387 1.00 46.40 O +ANISOU 2758 O HOH A 664 4893 6595 6142 -914 -391 14 O +HETATM 2759 O HOH A 665 -19.550 -25.567 12.046 1.00 46.96 O +ANISOU 2759 O HOH A 665 5224 7003 5614 295 927 135 O +HETATM 2760 O HOH A 666 18.894 -14.947 -3.814 1.00 24.41 O +ANISOU 2760 O HOH A 666 3170 2940 3166 520 1784 845 O +HETATM 2761 O HOH A 667 22.463 -51.593 4.272 1.00 21.74 O +ANISOU 2761 O HOH A 667 2771 2216 3274 420 56 -205 O +HETATM 2762 O HOH A 668 34.191 -38.116 3.485 1.00 26.57 O +ANISOU 2762 O HOH A 668 2442 3867 3786 410 -542 -704 O +HETATM 2763 O HOH A 669 8.534 -46.051 4.130 1.00 32.78 O +ANISOU 2763 O HOH A 669 4949 3516 3989 -817 319 500 O +HETATM 2764 O HOH A 670 0.699 -42.717 -0.211 1.00 29.84 O +ANISOU 2764 O HOH A 670 3764 3583 3992 -270 141 -259 O +HETATM 2765 O HOH A 671 20.412 -31.003 13.633 1.00 30.96 O +ANISOU 2765 O HOH A 671 3977 4038 3750 -440 -80 204 O +HETATM 2766 O HOH A 672 9.689 -11.447 18.527 1.00 32.34 O +ANISOU 2766 O HOH A 672 4036 4157 4097 -252 -229 -238 O +HETATM 2767 O HOH A 673 30.463 -21.015 -7.724 1.00 7.71 O +ANISOU 2767 O HOH A 673 1293 1063 575 -62 282 197 O +HETATM 2768 O HOH A 674 13.162 -33.643 12.352 1.00 9.45 O +ANISOU 2768 O HOH A 674 1093 1757 740 55 58 -19 O +HETATM 2769 O HOH A 675 30.244 -49.143 -3.311 1.00 7.97 O +ANISOU 2769 O HOH A 675 1086 1250 692 76 258 65 O +HETATM 2770 O HOH A 676 27.103 -50.445 3.275 1.00 7.84 O +ANISOU 2770 O HOH A 676 1442 933 605 19 147 46 O +HETATM 2771 O HOH A 677 19.240 -46.441 -3.361 1.00 7.82 O +ANISOU 2771 O HOH A 677 1224 1070 677 94 -169 -30 O +HETATM 2772 O HOH A 678 9.303 -25.607 -8.146 1.00 10.75 O +ANISOU 2772 O HOH A 678 1393 2034 658 365 -78 44 O +HETATM 2773 O HOH A 679 7.761 -15.235 10.698 1.00 11.19 O +ANISOU 2773 O HOH A 679 1478 1761 1012 -468 328 -363 O +HETATM 2774 O HOH A 680 10.446 -30.726 10.230 1.00 6.50 O +ANISOU 2774 O HOH A 680 923 1083 463 -234 -67 -109 O +HETATM 2775 O HOH A 681 24.717 -25.131 -7.005 1.00 8.90 O +ANISOU 2775 O HOH A 681 1039 1486 859 -92 349 148 O +HETATM 2776 O HOH A 682 26.543 -38.450 8.779 1.00 8.37 O +ANISOU 2776 O HOH A 682 1083 1349 747 -26 -86 105 O +HETATM 2777 O HOH A 683 20.272 -40.749 -4.721 1.00 7.92 O +ANISOU 2777 O HOH A 683 891 1155 964 16 -180 259 O +HETATM 2778 O HOH A 684 24.518 -25.748 -4.360 1.00 11.52 O +ANISOU 2778 O HOH A 684 2013 1570 794 -816 363 -251 O +HETATM 2779 O HOH A 685 19.585 -50.102 3.395 1.00 6.89 O +ANISOU 2779 O HOH A 685 995 1214 409 -42 124 223 O +HETATM 2780 O HOH A 686 20.000 -16.791 10.971 1.00 9.10 O +ANISOU 2780 O HOH A 686 1262 1372 826 -86 116 -368 O +HETATM 2781 O HOH A 687 25.996 -51.697 -1.873 1.00 7.72 O +ANISOU 2781 O HOH A 687 1114 1102 717 -26 35 37 O +HETATM 2782 O HOH A 688 -17.880 -28.790 3.512 1.00 9.47 O +ANISOU 2782 O HOH A 688 1278 1510 811 25 -330 -122 O +HETATM 2783 O HOH A 689 19.877 -48.308 5.593 1.00 7.92 O +ANISOU 2783 O HOH A 689 1184 1345 479 -107 -61 -34 O +HETATM 2784 O HOH A 690 22.708 -36.133 -15.623 1.00 10.92 O +ANISOU 2784 O HOH A 690 1752 1709 686 -105 88 103 O +HETATM 2785 O HOH A 691 -3.865 -32.046 20.657 1.00 10.66 O +ANISOU 2785 O HOH A 691 1271 1623 1155 95 237 -70 O +HETATM 2786 O HOH A 692 5.246 -31.315 -10.252 1.00 11.58 O +ANISOU 2786 O HOH A 692 1766 1699 937 287 -142 96 O +HETATM 2787 O HOH A 693 24.621 -30.817 7.029 1.00 6.86 O +ANISOU 2787 O HOH A 693 1192 1068 348 -90 135 56 O +HETATM 2788 O HOH A 694 11.937 -14.476 10.261 1.00 11.22 O +ANISOU 2788 O HOH A 694 1391 1466 1406 20 122 -361 O +HETATM 2789 O HOH A 695 23.316 -22.510 -9.876 1.00 11.57 O +ANISOU 2789 O HOH A 695 1528 1716 1154 -176 251 78 O +HETATM 2790 O HOH A 696 34.776 -37.513 -13.517 1.00 10.52 O +ANISOU 2790 O HOH A 696 1776 1319 903 402 -118 -6 O +HETATM 2791 O HOH A 697 19.343 -20.346 4.767 1.00 7.43 O +ANISOU 2791 O HOH A 697 1049 1215 560 106 -109 -101 O +HETATM 2792 O HOH A 698 23.365 -45.716 7.187 1.00 9.12 O +ANISOU 2792 O HOH A 698 946 2002 516 -156 3 -49 O +HETATM 2793 O HOH A 699 27.143 -18.466 -8.640 1.00 15.62 O +ANISOU 2793 O HOH A 699 1537 1793 2605 175 529 877 O +HETATM 2794 O HOH A 700 10.926 -41.762 16.658 1.00 10.60 O +ANISOU 2794 O HOH A 700 1226 1282 1521 -50 -29 71 O +HETATM 2795 O HOH A 701 6.787 -18.652 2.749 1.00 10.61 O +ANISOU 2795 O HOH A 701 1130 1341 1562 202 -67 94 O +HETATM 2796 O HOH A 702 16.149 -35.861 13.437 1.00 9.53 O +ANISOU 2796 O HOH A 702 1647 1268 706 -118 219 111 O +HETATM 2797 O HOH A 703 13.563 -32.010 -10.681 1.00 10.17 O +ANISOU 2797 O HOH A 703 1638 1721 503 -48 -163 123 O +HETATM 2798 O HOH A 704 26.078 -22.943 4.857 1.00 14.41 O +ANISOU 2798 O HOH A 704 1922 2325 1228 -1063 -334 393 O +HETATM 2799 O HOH A 705 -1.991 -37.690 1.818 1.00 8.80 O +ANISOU 2799 O HOH A 705 1070 1378 897 -48 -79 -126 O +HETATM 2800 O HOH A 706 -0.312 -36.996 5.469 1.00 9.13 O +ANISOU 2800 O HOH A 706 980 1314 1175 -94 154 40 O +HETATM 2801 O HOH A 707 25.466 -16.729 2.044 1.00 16.22 O +ANISOU 2801 O HOH A 707 2916 1561 1685 115 -77 -131 O +HETATM 2802 O HOH A 708 22.926 -23.052 -7.273 1.00 9.64 O +ANISOU 2802 O HOH A 708 1153 1496 1015 -22 229 154 O +HETATM 2803 O HOH A 709 15.502 -32.969 -12.229 1.00 11.06 O +ANISOU 2803 O HOH A 709 1321 2031 850 30 -295 -348 O +HETATM 2804 O HOH A 710 14.417 -31.833 20.863 1.00 9.39 O +ANISOU 2804 O HOH A 710 1375 1674 517 335 -68 152 O +HETATM 2805 O HOH A 711 0.043 -14.395 1.802 1.00 10.72 O +ANISOU 2805 O HOH A 711 1196 1617 1260 107 -239 74 O +HETATM 2806 O HOH A 712 24.566 -18.469 -5.265 1.00 11.48 O +ANISOU 2806 O HOH A 712 1364 1508 1491 163 34 107 O +HETATM 2807 O HOH A 713 6.651 -16.312 4.093 1.00 11.58 O +ANISOU 2807 O HOH A 713 1040 1665 1695 147 -11 -360 O +HETATM 2808 O HOH A 714 11.271 -31.209 -8.379 1.00 10.47 O +ANISOU 2808 O HOH A 714 1664 1695 621 185 -382 57 O +HETATM 2809 O HOH A 715 13.995 -36.331 15.148 1.00 10.07 O +ANISOU 2809 O HOH A 715 1332 1448 1046 -4 99 330 O +HETATM 2810 O HOH A 716 20.022 -31.884 -0.619 1.00 8.05 O +ANISOU 2810 O HOH A 716 1036 1255 766 -157 -111 114 O +HETATM 2811 O HOH A 717 8.077 -33.610 -6.229 1.00 12.13 O +ANISOU 2811 O HOH A 717 1515 2165 930 -668 238 -573 O +HETATM 2812 O HOH A 718 26.316 -42.796 -15.502 1.00 14.80 O +ANISOU 2812 O HOH A 718 2792 1711 1120 -217 521 -309 O +HETATM 2813 O HOH A 719 18.935 -21.415 -7.506 1.00 17.36 O +ANISOU 2813 O HOH A 719 2026 1741 2828 291 9 504 O +HETATM 2814 O HOH A 720 16.932 -50.787 2.851 1.00 9.84 O +ANISOU 2814 O HOH A 720 1373 1224 1143 63 -151 200 O +HETATM 2815 O HOH A 721 31.068 -48.831 2.937 1.00 12.49 O +ANISOU 2815 O HOH A 721 1758 1530 1459 -39 -151 94 O +HETATM 2816 O HOH A 722 26.292 -16.692 -6.569 1.00 18.53 O +ANISOU 2816 O HOH A 722 3126 1905 2008 279 975 389 O +HETATM 2817 O HOH A 723 29.632 -40.093 -13.547 1.00 14.29 O +ANISOU 2817 O HOH A 723 2011 1460 1961 45 -22 -125 O +HETATM 2818 O HOH A 724 32.395 -23.310 1.466 1.00 14.22 O +ANISOU 2818 O HOH A 724 1806 2746 852 -534 23 -11 O +HETATM 2819 O HOH A 725 15.869 -45.572 -9.435 1.00 17.37 O +ANISOU 2819 O HOH A 725 3503 1977 1118 -179 -2 -496 O +HETATM 2820 O HOH A 726 8.567 -13.885 12.905 1.00 16.59 O +ANISOU 2820 O HOH A 726 1695 2809 1799 -732 433 -1206 O +HETATM 2821 O HOH A 727 10.453 -22.942 19.030 1.00 10.93 O +ANISOU 2821 O HOH A 727 1966 1376 811 -323 -198 -65 O +HETATM 2822 O HOH A 728 6.539 -19.790 -1.507 1.00 19.34 O +ANISOU 2822 O HOH A 728 4245 1859 1245 1325 -245 -94 O +HETATM 2823 O HOH A 729 -5.438 -24.488 21.353 1.00 14.82 O +ANISOU 2823 O HOH A 729 1804 2118 1707 352 568 -96 O +HETATM 2824 O HOH A 730 20.485 -23.452 -6.338 1.00 10.02 O +ANISOU 2824 O HOH A 730 1553 1203 1053 -129 442 122 O +HETATM 2825 O HOH A 731 3.290 -40.844 3.508 1.00 14.08 O +ANISOU 2825 O HOH A 731 1784 1506 2059 -550 -735 180 O +HETATM 2826 O HOH A 732 -6.183 -31.489 19.195 1.00 16.52 O +ANISOU 2826 O HOH A 732 1953 2314 2011 -243 -95 298 O +HETATM 2827 O HOH A 733 32.149 -41.737 4.853 1.00 16.88 O +ANISOU 2827 O HOH A 733 2049 2840 1524 789 -464 153 O +HETATM 2828 O HOH A 734 16.315 -50.607 0.096 1.00 13.84 O +ANISOU 2828 O HOH A 734 2007 1618 1635 -84 -350 98 O +HETATM 2829 O HOH A 735 -2.866 -15.871 21.046 1.00 21.44 O +ANISOU 2829 O HOH A 735 3263 2354 2528 549 649 -467 O +HETATM 2830 O HOH A 736 1.243 -38.942 14.739 1.00 11.20 O +ANISOU 2830 O HOH A 736 2013 1317 926 -502 -378 65 O +HETATM 2831 O HOH A 737 1.118 -15.154 -0.671 1.00 18.85 O +ANISOU 2831 O HOH A 737 3180 1828 2155 155 -455 199 O +HETATM 2832 O HOH A 738 -0.892 -34.772 3.906 1.00 8.86 O +ANISOU 2832 O HOH A 738 1030 1491 846 -145 -194 -70 O +HETATM 2833 O HOH A 739 20.862 -47.288 -5.407 1.00 16.00 O +ANISOU 2833 O HOH A 739 2055 1797 2228 693 1097 921 O +HETATM 2834 O HOH A 740 21.216 -20.005 -8.005 1.00 16.05 O +ANISOU 2834 O HOH A 740 2178 2444 1478 -184 37 272 O +HETATM 2835 O HOH A 741 -13.546 -31.320 2.334 1.00 13.25 O +ANISOU 2835 O HOH A 741 1132 2320 1585 -22 -267 -490 O +HETATM 2836 O HOH A 742 23.986 -19.753 -7.587 1.00 12.80 O +ANISOU 2836 O HOH A 742 1558 1482 1823 265 329 336 O +HETATM 2837 O HOH A 743 32.096 -18.417 -3.957 1.00 14.20 O +ANISOU 2837 O HOH A 743 2245 1897 1254 59 433 240 O +HETATM 2838 O HOH A 744 19.002 -33.204 13.862 1.00 11.10 O +ANISOU 2838 O HOH A 744 1677 1759 781 -217 24 -197 O +HETATM 2839 O HOH A 745 -1.947 -28.355 -5.901 1.00 17.65 O +ANISOU 2839 O HOH A 745 1196 3596 1914 161 -501 -408 O +HETATM 2840 O HOH A 746 25.379 -55.563 -4.978 1.00 16.72 O +ANISOU 2840 O HOH A 746 1793 1942 2617 216 -207 -611 O +HETATM 2841 O HOH A 747 -2.660 -18.610 21.422 1.00 17.26 O +ANISOU 2841 O HOH A 747 2938 1881 1738 30 1174 -332 O +HETATM 2842 O HOH A 748 7.484 -29.632 -8.698 1.00 10.92 O +ANISOU 2842 O HOH A 748 1315 2026 810 63 -186 -281 O +HETATM 2843 O HOH A 749 28.871 -35.346 -18.311 1.00 14.91 O +ANISOU 2843 O HOH A 749 1781 2891 993 364 73 -591 O +HETATM 2844 O HOH A 750 32.775 -24.911 5.552 1.00 16.21 O +ANISOU 2844 O HOH A 750 1739 2576 1846 353 -556 -633 O +HETATM 2845 O HOH A 751 36.757 -18.539 -5.183 1.00 16.11 O +ANISOU 2845 O HOH A 751 2467 1747 1908 -347 -401 -148 O +HETATM 2846 O HOH A 752 15.362 -24.571 21.084 1.00 14.44 O +ANISOU 2846 O HOH A 752 2490 1777 1221 -204 17 -448 O +HETATM 2847 O HOH A 753 -3.620 -12.067 2.451 1.00 18.98 O +ANISOU 2847 O HOH A 753 2627 1603 2984 571 -608 84 O +HETATM 2848 O HOH A 754 32.221 -38.308 -7.693 1.00 19.05 O +ANISOU 2848 O HOH A 754 3738 1889 1610 -399 719 -283 O +HETATM 2849 O HOH A 755 15.616 -26.791 -11.454 1.00 20.70 O +ANISOU 2849 O HOH A 755 3484 3078 1303 19 -19 288 O +HETATM 2850 O HOH A 756 15.555 -19.822 15.349 1.00 14.92 O +ANISOU 2850 O HOH A 756 2330 2005 1333 -217 208 -638 O +HETATM 2851 O HOH A 757 5.802 -46.731 -10.998 1.00 18.56 O +ANISOU 2851 O HOH A 757 2431 2061 2561 -292 -999 -538 O +HETATM 2852 O HOH A 758 10.536 -18.217 22.314 1.00 16.82 O +ANISOU 2852 O HOH A 758 1923 2968 1498 -218 -292 -850 O +HETATM 2853 O HOH A 759 1.466 -23.421 22.263 1.00 16.31 O +ANISOU 2853 O HOH A 759 2427 2432 1337 -187 -400 -587 O +HETATM 2854 O HOH A 760 35.369 -36.737 0.931 1.00 16.77 O +ANISOU 2854 O HOH A 760 1893 2354 2123 -75 -1054 241 O +HETATM 2855 O HOH A 761 17.160 -47.897 6.357 1.00 10.46 O +ANISOU 2855 O HOH A 761 1569 1657 749 -6 -201 153 O +HETATM 2856 O HOH A 762 -17.987 -21.761 8.642 1.00 20.96 O +ANISOU 2856 O HOH A 762 2092 2923 2949 472 1036 -861 O +HETATM 2857 O HOH A 763 5.431 -18.420 0.397 1.00 17.43 O +ANISOU 2857 O HOH A 763 2845 1980 1799 730 -467 -52 O +HETATM 2858 O HOH A 764 17.297 -20.010 -5.645 1.00 19.42 O +ANISOU 2858 O HOH A 764 2692 2925 1762 -440 -124 390 O +HETATM 2859 O HOH A 765 15.142 -16.713 12.107 1.00 26.32 O +ANISOU 2859 O HOH A 765 1751 2551 5699 -69 -145 -1692 O +HETATM 2860 O HOH A 766 25.890 -21.683 -10.454 1.00 13.75 O +ANISOU 2860 O HOH A 766 1715 2132 1377 -342 418 -79 O +HETATM 2861 O HOH A 767 19.472 -26.128 18.714 1.00 20.14 O +ANISOU 2861 O HOH A 767 2393 2269 2991 -120 -395 -11 O +HETATM 2862 O HOH A 768 11.534 -28.861 -9.869 1.00 19.81 O +ANISOU 2862 O HOH A 768 3499 1982 2047 271 470 423 O +HETATM 2863 O HOH A 769 24.320 -30.871 -0.318 1.00 10.64 O +ANISOU 2863 O HOH A 769 1490 1268 1287 -212 45 360 O +HETATM 2864 O HOH A 770 33.850 -38.584 -5.151 1.00 20.69 O +ANISOU 2864 O HOH A 770 2917 1509 3435 366 1313 -193 O +HETATM 2865 O HOH A 771 0.249 -41.051 2.311 1.00 19.86 O +ANISOU 2865 O HOH A 771 2877 1568 3102 52 1192 -309 O +HETATM 2866 O HOH A 772 -5.770 -17.461 -0.882 1.00 21.57 O +ANISOU 2866 O HOH A 772 2661 3015 2520 32 -1225 846 O +HETATM 2867 O HOH A 773 28.883 -45.291 1.475 1.00 15.83 O +ANISOU 2867 O HOH A 773 2293 2393 1328 1252 -663 -650 O +HETATM 2868 O HOH A 774 14.304 -25.165 -9.516 1.00 19.66 O +ANISOU 2868 O HOH A 774 1873 2228 3368 227 813 554 O +HETATM 2869 O HOH A 775 25.181 -15.504 4.695 1.00 17.04 O +ANISOU 2869 O HOH A 775 3067 1804 1603 -48 -128 512 O +HETATM 2870 O HOH A 776 3.176 -35.803 21.089 1.00 17.70 O +ANISOU 2870 O HOH A 776 2433 3120 1174 -507 153 651 O +HETATM 2871 O HOH A 777 21.652 -16.926 -0.971 1.00 22.46 O +ANISOU 2871 O HOH A 777 3059 1585 3892 -257 -2013 220 O +HETATM 2872 O HOH A 778 14.110 -21.130 17.297 1.00 16.83 O +ANISOU 2872 O HOH A 778 1756 2920 1717 388 10 -123 O +HETATM 2873 O HOH A 779 -12.051 -33.326 16.646 1.00 21.77 O +ANISOU 2873 O HOH A 779 1944 3416 2912 -370 115 1223 O +HETATM 2874 O HOH A 780 -10.134 -14.169 15.675 1.00 19.58 O +ANISOU 2874 O HOH A 780 2346 1850 3242 -47 595 7 O +HETATM 2875 O HOH A 781 29.520 -25.760 9.472 1.00 15.29 O +ANISOU 2875 O HOH A 781 1653 2762 1393 224 -637 -646 O +HETATM 2876 O HOH A 782 32.835 -38.276 -11.554 1.00 14.50 O +ANISOU 2876 O HOH A 782 2415 1639 1454 504 123 249 O +HETATM 2877 O HOH A 783 -5.585 -24.298 -4.272 1.00 26.82 O +ANISOU 2877 O HOH A 783 3306 4223 2661 -12 -1234 617 O +HETATM 2878 O HOH A 784 -12.303 -17.250 13.269 1.00 18.60 O +ANISOU 2878 O HOH A 784 1724 2576 2765 300 407 -614 O +HETATM 2879 O HOH A 785 8.302 -42.982 10.717 1.00 16.62 O +ANISOU 2879 O HOH A 785 1460 3649 1207 -131 79 244 O +HETATM 2880 O HOH A 786 -2.924 -7.484 18.730 1.00 23.84 O +ANISOU 2880 O HOH A 786 4318 2445 2295 62 449 -691 O +HETATM 2881 O HOH A 787 12.929 -19.985 20.508 1.00 17.77 O +ANISOU 2881 O HOH A 787 2943 2411 1397 -1012 -403 -239 O +HETATM 2882 O HOH A 788 31.512 -20.714 1.928 1.00 19.06 O +ANISOU 2882 O HOH A 788 2488 3024 1730 -10 454 -834 O +HETATM 2883 O HOH A 789 -5.398 -46.033 15.523 1.00 16.54 O +ANISOU 2883 O HOH A 789 1643 2006 2634 -246 130 473 O +HETATM 2884 O HOH A 790 -9.030 -15.369 -0.081 1.00 31.92 O +ANISOU 2884 O HOH A 790 3775 3899 4453 -950 -2209 1514 O +HETATM 2885 O HOH A 791 9.083 -45.922 1.135 1.00 23.29 O +ANISOU 2885 O HOH A 791 2623 2378 3847 -1042 1434 -704 O +HETATM 2886 O HOH A 792 28.063 -37.756 -19.614 1.00 21.51 O +ANISOU 2886 O HOH A 792 3307 3120 1747 -284 702 -737 O +HETATM 2887 O HOH A 793 8.370 -50.770 -5.154 1.00 21.14 O +ANISOU 2887 O HOH A 793 2074 1644 4314 -340 154 30 O +HETATM 2888 O HOH A 794 3.081 -43.849 7.003 1.00 21.60 O +ANISOU 2888 O HOH A 794 2162 2893 3152 -1020 1065 -1350 O +HETATM 2889 O HOH A 795 4.791 -42.928 4.642 1.00 16.04 O +ANISOU 2889 O HOH A 795 1154 2041 2900 -136 197 -382 O +HETATM 2890 O HOH A 796 -8.046 -20.270 19.391 1.00 20.79 O +ANISOU 2890 O HOH A 796 3618 2581 1700 -412 -308 -646 O +HETATM 2891 O HOH A 797 17.845 -17.442 12.552 1.00 18.78 O +ANISOU 2891 O HOH A 797 1799 3003 2331 -538 559 -905 O +HETATM 2892 O HOH A 798 27.451 -23.371 12.403 1.00 18.45 O +ANISOU 2892 O HOH A 798 1920 3389 1700 -755 170 -617 O +HETATM 2893 O HOH A 799 20.444 -14.473 -0.661 1.00 16.64 O +ANISOU 2893 O HOH A 799 2028 1743 2552 51 575 283 O +HETATM 2894 O HOH A 800 27.672 -15.402 -2.312 1.00 26.70 O +ANISOU 2894 O HOH A 800 5233 1598 3314 -453 1534 -142 O +HETATM 2895 O HOH A 801 25.200 -41.744 -18.538 1.00 27.50 O +ANISOU 2895 O HOH A 801 4587 3222 2638 -874 1054 -1405 O +HETATM 2896 O HOH A 802 -5.072 -11.482 21.584 1.00 22.79 O +ANISOU 2896 O HOH A 802 3023 3779 1856 620 192 -1020 O +HETATM 2897 O HOH A 803 12.395 -11.873 9.774 1.00 28.21 O +ANISOU 2897 O HOH A 803 4831 2196 3690 -494 1028 -345 O +HETATM 2898 O HOH A 804 0.823 -37.213 21.132 1.00 19.79 O +ANISOU 2898 O HOH A 804 3177 2793 1549 934 939 595 O +HETATM 2899 O HOH A 805 0.322 -42.638 -2.670 1.00 25.71 O +ANISOU 2899 O HOH A 805 2422 2023 5324 -333 1435 311 O +HETATM 2900 O HOH A 806 16.237 -48.371 -9.686 1.00 27.40 O +ANISOU 2900 O HOH A 806 3491 2792 4127 -683 1290 -1772 O +HETATM 2901 O HOH A 807 -8.483 -30.630 20.003 1.00 31.27 O +ANISOU 2901 O HOH A 807 3846 3717 4319 1591 2124 1861 O +HETATM 2902 O HOH A 808 31.784 -21.930 -15.791 1.00 16.90 O +ANISOU 2902 O HOH A 808 2484 1482 2455 8 924 326 O +HETATM 2903 O HOH A 809 7.582 -47.066 14.000 1.00 26.69 O +ANISOU 2903 O HOH A 809 3388 1828 4927 770 -936 136 O +HETATM 2904 O HOH A 810 -14.625 -39.361 11.856 1.00 17.20 O +ANISOU 2904 O HOH A 810 2141 1844 2549 -286 -305 101 O +HETATM 2905 O HOH A 811 -0.578 -10.988 22.091 1.00 24.43 O +ANISOU 2905 O HOH A 811 3211 3140 2933 636 68 -1693 O +HETATM 2906 O HOH A 812 -2.607 -30.416 -4.229 1.00 21.16 O +ANISOU 2906 O HOH A 812 2530 3847 1663 -302 -617 -224 O +HETATM 2907 O HOH A 813 7.001 -44.724 7.781 1.00 23.98 O +ANISOU 2907 O HOH A 813 4833 1818 2460 -134 1618 261 O +HETATM 2908 O HOH A 814 5.651 -36.659 21.645 1.00 23.52 O +ANISOU 2908 O HOH A 814 2358 4278 2299 529 729 1474 O +HETATM 2909 O HOH A 815 19.629 -54.269 -5.131 1.00 24.26 O +ANISOU 2909 O HOH A 815 2205 2443 4568 -46 -1191 -408 O +HETATM 2910 O HOH A 816 3.991 -26.558 23.247 1.00 24.65 O +ANISOU 2910 O HOH A 816 3543 3827 1997 -1230 752 -1214 O +HETATM 2911 O HOH A 817 13.511 -33.908 16.137 1.00 15.41 O +ANISOU 2911 O HOH A 817 1952 1848 2057 -106 -355 -163 O +HETATM 2912 O HOH A 818 19.975 -14.072 10.433 1.00 17.39 O +ANISOU 2912 O HOH A 818 2722 1418 2467 51 387 -159 O +HETATM 2913 O HOH A 819 8.278 -40.165 -11.024 1.00 25.09 O +ANISOU 2913 O HOH A 819 2455 4299 2779 -646 71 -1693 O +HETATM 2914 O HOH A 820 10.004 -42.990 8.479 1.00 18.20 O +ANISOU 2914 O HOH A 820 2026 3131 1757 404 459 659 O +HETATM 2915 O HOH A 821 27.171 -28.074 11.960 1.00 34.67 O +ANISOU 2915 O HOH A 821 6002 3815 3355 1104 -36 691 O +HETATM 2916 O HOH A 822 -5.368 -13.080 19.398 1.00 23.94 O +ANISOU 2916 O HOH A 822 2971 3435 2689 -456 1366 -1180 O +HETATM 2917 O HOH A 823 -5.640 -6.035 15.767 1.00 29.08 O +ANISOU 2917 O HOH A 823 3424 2165 5462 367 413 209 O +HETATM 2918 O HOH A 824 -7.799 -12.939 2.984 1.00 29.86 O +ANISOU 2918 O HOH A 824 2972 2321 6053 639 -637 205 O +HETATM 2919 O HOH A 825 1.045 -41.332 5.056 1.00 21.53 O +ANISOU 2919 O HOH A 825 1378 3897 2907 194 48 -1679 O +HETATM 2920 O HOH A 826 36.372 -36.795 -3.019 1.00 25.02 O +ANISOU 2920 O HOH A 826 1934 4288 3283 1110 -284 965 O +HETATM 2921 O HOH A 827 33.360 -27.465 6.214 1.00 22.67 O +ANISOU 2921 O HOH A 827 3230 3067 2316 102 -925 423 O +HETATM 2922 O HOH A 828 9.654 -15.080 8.740 1.00 9.78 O +ANISOU 2922 O HOH A 828 1265 1391 1060 -45 362 -188 O +HETATM 2923 O HOH A 829 32.220 -17.026 -6.374 1.00 10.88 O +ANISOU 2923 O HOH A 829 1616 1374 1142 -107 226 141 O +HETATM 2924 O HOH A 830 29.337 -17.115 -9.558 1.00 11.05 O +ANISOU 2924 O HOH A 830 1553 1391 1253 9 402 323 O +HETATM 2925 O HOH A 831 31.465 -18.542 -8.561 1.00 10.64 O +ANISOU 2925 O HOH A 831 1647 1305 1090 -142 -53 437 O +HETATM 2926 O HOH A 832 36.291 -18.131 -8.267 1.00 14.86 O +ANISOU 2926 O HOH A 832 1803 1322 2522 -270 -593 723 O +HETATM 2927 O HOH A 833 28.944 -42.451 -14.669 1.00 17.79 O +ANISOU 2927 O HOH A 833 2545 2391 1822 -335 557 -768 O +HETATM 2928 O HOH A 834 11.993 -26.372 -8.815 1.00 14.99 O +ANISOU 2928 O HOH A 834 1544 2565 1585 102 204 165 O +HETATM 2929 O HOH A 835 11.267 -14.443 12.892 1.00 15.80 O +ANISOU 2929 O HOH A 835 2264 1768 1974 -273 136 -263 O +HETATM 2930 O HOH A 836 30.793 -39.310 -16.101 1.00 16.36 O +ANISOU 2930 O HOH A 836 2064 1998 2153 353 -180 -518 O +HETATM 2931 O HOH A 837 29.123 -21.488 11.286 1.00 20.18 O +ANISOU 2931 O HOH A 837 1613 3370 2684 -498 -245 241 O +HETATM 2932 O HOH A 838 34.331 -24.246 3.183 1.00 19.30 O +ANISOU 2932 O HOH A 838 2864 2977 1491 -369 -800 -104 O +HETATM 2933 O HOH A 839 -9.498 -41.486 15.284 1.00 16.60 O +ANISOU 2933 O HOH A 839 1890 1712 2704 -314 156 -213 O +HETATM 2934 O HOH A 840 17.897 -21.347 15.658 1.00 19.78 O +ANISOU 2934 O HOH A 840 2168 4087 1260 22 -123 -723 O +HETATM 2935 O HOH A 841 39.158 -17.449 -6.003 1.00 17.20 O +ANISOU 2935 O HOH A 841 2006 3181 1350 -810 -210 684 O +HETATM 2936 O HOH A 842 -12.516 -15.073 14.971 1.00 24.57 O +ANISOU 2936 O HOH A 842 2287 3148 3899 -204 511 -1159 O +HETATM 2937 O HOH A 843 -12.853 -40.230 16.556 1.00 18.77 O +ANISOU 2937 O HOH A 843 2430 2748 1956 -634 -218 56 O +HETATM 2938 O HOH A 844 6.355 -44.957 0.344 1.00 24.78 O +ANISOU 2938 O HOH A 844 2833 3016 3564 408 -137 -222 O +HETATM 2939 O HOH A 845 1.821 -20.708 22.108 1.00 21.67 O +ANISOU 2939 O HOH A 845 3426 3279 1528 -1041 -240 165 O +HETATM 2940 O HOH A 846 -0.614 -44.370 -6.837 1.00 23.61 O +ANISOU 2940 O HOH A 846 2503 3062 3406 -881 503 -335 O +HETATM 2941 O HOH A 847 16.784 -28.297 -19.761 1.00 18.74 O +ANISOU 2941 O HOH A 847 2517 3158 1445 37 -878 522 O +HETATM 2942 O HOH A 848 -12.509 -20.884 16.638 1.00 21.21 O +ANISOU 2942 O HOH A 848 2045 2744 3269 399 688 -363 O +HETATM 2943 O HOH A 849 -0.568 -50.399 16.484 1.00 29.00 O +ANISOU 2943 O HOH A 849 3223 1820 5976 -623 185 504 O +HETATM 2944 O HOH A 850 31.879 -37.833 -19.471 1.00 23.56 O +ANISOU 2944 O HOH A 850 4008 2665 2277 -288 234 -884 O +HETATM 2945 O HOH A 851 15.308 -22.708 -9.273 1.00 23.86 O +ANISOU 2945 O HOH A 851 2564 3693 2808 399 -643 677 O +HETATM 2946 O HOH A 852 21.615 -20.841 -11.025 1.00 26.38 O +ANISOU 2946 O HOH A 852 2310 3706 4006 865 371 2070 O +HETATM 2947 O HOH A 853 -11.581 -35.904 0.764 1.00 23.39 O +ANISOU 2947 O HOH A 853 1522 2888 4476 -102 -746 703 O +HETATM 2948 O HOH A 854 8.009 -44.318 17.993 1.00 22.16 O +ANISOU 2948 O HOH A 854 2272 4046 2101 -137 -314 1112 O +HETATM 2949 O HOH A 855 12.830 -26.296 21.628 1.00 15.32 O +ANISOU 2949 O HOH A 855 2309 2641 872 -853 -186 107 O +HETATM 2950 O HOH A 856 23.377 -31.370 13.053 1.00 19.62 O +ANISOU 2950 O HOH A 856 3483 1944 2026 -329 63 -797 O +HETATM 2951 O HOH A 857 14.935 -44.680 -11.716 1.00 30.16 O +ANISOU 2951 O HOH A 857 5566 3915 1979 1155 -1165 -415 O +HETATM 2952 O HOH A 858 27.595 -29.054 8.996 1.00 28.41 O +ANISOU 2952 O HOH A 858 2706 4523 3564 -683 -1094 2084 O +HETATM 2953 O HOH A 859 -9.185 -11.880 14.436 1.00 17.82 O +ANISOU 2953 O HOH A 859 2035 1859 2875 590 515 -400 O +HETATM 2954 O HOH A 860 -11.676 -16.543 19.464 1.00 33.58 O +ANISOU 2954 O HOH A 860 3844 4080 4836 -498 2403 -1166 O +HETATM 2955 O HOH A 861 29.536 -34.069 -20.618 1.00 23.18 O +ANISOU 2955 O HOH A 861 3683 3822 1304 -552 453 -126 O +HETATM 2956 O HOH A 862 22.787 -24.344 -17.975 1.00 33.37 O +ANISOU 2956 O HOH A 862 4590 3549 4540 1613 -1467 -173 O +HETATM 2957 O HOH A 863 22.850 -55.460 -6.616 1.00 21.53 O +ANISOU 2957 O HOH A 863 3040 3282 1859 720 -377 -939 O +HETATM 2958 O HOH A 864 0.875 -11.708 1.375 1.00 23.13 O +ANISOU 2958 O HOH A 864 3640 1737 3413 207 627 588 O +HETATM 2959 O HOH A 865 18.328 -38.776 -5.160 1.00 16.87 O +ANISOU 2959 O HOH A 865 2308 2015 2088 157 -301 -401 O +HETATM 2960 O HOH A 866 25.445 -19.551 -12.132 1.00 24.18 O +ANISOU 2960 O HOH A 866 1902 2814 4471 61 783 1653 O +HETATM 2961 O HOH A 867 40.316 -32.307 -13.628 1.00 16.18 O +ANISOU 2961 O HOH A 867 1463 3063 1622 356 -21 -381 O +HETATM 2962 O HOH A 868 -4.834 -32.492 23.225 1.00 26.49 O +ANISOU 2962 O HOH A 868 3621 4645 1800 -364 1160 209 O +HETATM 2963 O HOH A 869 -12.744 -33.221 0.516 1.00 25.13 O +ANISOU 2963 O HOH A 869 3490 2938 3122 376 594 -984 O +HETATM 2964 O HOH A 870 10.833 -50.036 -0.079 1.00 26.21 O +ANISOU 2964 O HOH A 870 4998 3023 1937 -1855 -799 687 O +HETATM 2965 O HOH A 871 24.104 -11.869 10.564 1.00 24.52 O +ANISOU 2965 O HOH A 871 3974 3755 1589 -819 -417 -579 O +HETATM 2966 O HOH A 872 36.101 -26.426 2.865 1.00 24.56 O +ANISOU 2966 O HOH A 872 3722 3992 1619 -62 -587 -414 O +HETATM 2967 O HOH A 873 36.809 -39.682 -5.604 1.00 30.65 O +ANISOU 2967 O HOH A 873 3785 4508 3354 -2110 -1291 1843 O +HETATM 2968 O HOH A 874 -7.884 -12.897 18.604 1.00 26.17 O +ANISOU 2968 O HOH A 874 2949 3366 3628 -537 988 -1543 O +HETATM 2969 O HOH A 875 12.488 -50.783 -11.546 1.00 33.84 O +ANISOU 2969 O HOH A 875 5791 4366 2703 -460 -803 -1553 O +HETATM 2970 O HOH A 876 -3.408 -38.385 19.318 1.00 21.68 O +ANISOU 2970 O HOH A 876 2335 1952 3951 -426 149 19 O +HETATM 2971 O HOH A 877 39.593 -28.412 -16.261 1.00 24.06 O +ANISOU 2971 O HOH A 877 3570 2618 2953 -214 1842 303 O +HETATM 2972 O HOH A 878 20.437 -16.968 -5.047 1.00 22.19 O +ANISOU 2972 O HOH A 878 3054 2397 2980 -86 570 828 O +HETATM 2973 O HOH A 879 35.932 -30.720 2.444 1.00 33.00 O +ANISOU 2973 O HOH A 879 4583 3880 4077 -1831 -1902 1969 O +HETATM 2974 O HOH A 880 29.107 -18.647 10.293 1.00 29.69 O +ANISOU 2974 O HOH A 880 2471 5178 3632 224 -720 -2244 O +HETATM 2975 O HOH A 881 28.583 -25.795 11.994 1.00 26.28 O +ANISOU 2975 O HOH A 881 3194 4568 2224 1220 -496 -343 O +HETATM 2976 O HOH A 882 -5.048 -19.863 21.869 1.00 25.98 O +ANISOU 2976 O HOH A 882 3236 2440 4195 -9 1931 -791 O +HETATM 2977 O HOH A 883 8.694 -36.999 -12.872 1.00 32.66 O +ANISOU 2977 O HOH A 883 4229 5956 2224 -2265 -427 -285 O +HETATM 2978 O HOH A 884 -9.158 -33.973 2.606 1.00 25.06 O +ANISOU 2978 O HOH A 884 2629 4547 2345 -1770 -659 519 O +HETATM 2979 O HOH A 885 11.825 -16.303 14.756 1.00 19.58 O +ANISOU 2979 O HOH A 885 3312 1681 2445 -884 -241 -156 O +HETATM 2980 O HOH A 886 22.924 -16.733 -3.932 1.00 24.84 O +ANISOU 2980 O HOH A 886 3123 3233 3081 1494 66 -363 O +HETATM 2981 O HOH A 887 24.426 -13.030 5.481 1.00 29.34 O +ANISOU 2981 O HOH A 887 3411 1934 5804 -312 1377 -502 O +HETATM 2982 O HOH A 888 28.125 -15.326 -4.860 1.00 24.91 O +ANISOU 2982 O HOH A 888 3816 2484 3166 -743 743 -344 O +HETATM 2983 O HOH A 889 -5.914 -21.870 20.414 1.00 23.80 O +ANISOU 2983 O HOH A 889 3888 2473 2680 496 884 -375 O +HETATM 2984 O HOH A 890 31.460 -40.431 9.174 1.00 21.78 O +ANISOU 2984 O HOH A 890 2136 4689 1449 -356 -389 330 O +HETATM 2985 O HOH A 891 -15.346 -17.880 6.957 1.00 24.57 O +ANISOU 2985 O HOH A 891 4209 3121 2003 -180 -33 -281 O +HETATM 2986 O HOH A 892 25.540 -24.885 14.961 1.00 30.46 O +ANISOU 2986 O HOH A 892 2887 5758 2931 -63 -931 935 O +HETATM 2987 O HOH A 893 -2.812 -29.731 25.466 1.00 30.30 O +ANISOU 2987 O HOH A 893 4428 3987 3097 891 1895 -351 O +HETATM 2988 O HOH A 894 -1.516 -43.403 3.929 1.00 29.97 O +ANISOU 2988 O HOH A 894 4403 3269 3717 1403 -481 -1346 O +HETATM 2989 O HOH A 895 -2.788 -6.596 9.930 1.00 28.12 O +ANISOU 2989 O HOH A 895 5947 2327 2410 537 437 525 O +HETATM 2990 O HOH A 896 8.580 -30.757 -12.172 1.00 29.49 O +ANISOU 2990 O HOH A 896 3882 4533 2791 1300 837 1814 O +HETATM 2991 O HOH A 897 31.320 -46.558 1.211 1.00 25.32 O +ANISOU 2991 O HOH A 897 2526 2216 4879 -62 104 286 O +HETATM 2992 O HOH A 898 30.414 -28.760 9.340 1.00 28.85 O +ANISOU 2992 O HOH A 898 3505 5366 2093 814 362 -391 O +HETATM 2993 O HOH A 899 41.748 -30.134 -14.668 1.00 24.42 O +ANISOU 2993 O HOH A 899 2947 2664 3667 -189 1166 338 O +HETATM 2994 O HOH A 900 24.228 -16.544 -0.379 1.00 21.39 O +ANISOU 2994 O HOH A 900 2538 2175 3416 -522 -232 752 O +HETATM 2995 O HOH A 901 -7.125 -8.035 8.673 1.00 31.16 O +ANISOU 2995 O HOH A 901 5412 2602 3825 -1307 -1407 1274 O +HETATM 2996 O HOH A 902 26.004 -47.859 -11.573 1.00 24.25 O +ANISOU 2996 O HOH A 902 3409 4486 1320 -403 307 -577 O +HETATM 2997 O HOH A 903 33.373 -23.441 7.681 1.00 30.04 O +ANISOU 2997 O HOH A 903 5433 3646 2333 364 -1207 -1068 O +HETATM 2998 O HOH A 904 25.002 -45.062 -14.535 1.00 40.60 O +ANISOU 2998 O HOH A 904 6161 3076 6188 -1674 -2553 902 O +HETATM 2999 O HOH A 905 14.957 -10.878 1.035 1.00 39.22 O +ANISOU 2999 O HOH A 905 5202 2911 6789 -261 2374 985 O +HETATM 3000 O HOH A 906 7.220 -13.738 2.898 1.00 22.35 O +ANISOU 3000 O HOH A 906 2253 2471 3768 284 -34 708 O +HETATM 3001 O HOH A 907 22.167 -11.948 6.628 1.00 30.40 O +ANISOU 3001 O HOH A 907 4334 2498 4719 2 -173 856 O +HETATM 3002 O HOH A 908 3.944 -23.956 22.952 1.00 30.94 O +ANISOU 3002 O HOH A 908 2611 6003 3140 143 314 1744 O +HETATM 3003 O HOH A 909 3.219 -10.905 5.941 1.00 27.15 O +ANISOU 3003 O HOH A 909 4209 3227 2881 -1306 1636 -1256 O +HETATM 3004 O HOH A 910 8.412 -42.330 24.319 1.00 21.62 O +ANISOU 3004 O HOH A 910 1814 3779 2623 9 -410 1113 O +HETATM 3005 O HOH A 911 34.077 -29.908 4.557 1.00 25.66 O +ANISOU 3005 O HOH A 911 2260 4184 3304 -922 -508 724 O +HETATM 3006 O HOH A 912 -9.637 -23.319 20.946 1.00 34.58 O +ANISOU 3006 O HOH A 912 6085 4193 2862 2410 649 -320 O +HETATM 3007 O HOH A 913 1.327 -9.992 20.077 1.00 25.44 O +ANISOU 3007 O HOH A 913 4225 2372 3067 613 902 -741 O +HETATM 3008 O HOH A 914 2.827 -34.137 23.338 1.00 33.61 O +ANISOU 3008 O HOH A 914 3973 3426 5372 -1490 224 1223 O +HETATM 3009 O HOH A 915 -1.407 -43.952 -4.526 1.00 43.84 O +ANISOU 3009 O HOH A 915 6152 3949 6555 -1533 -376 -2331 O +HETATM 3010 O HOH A 916 20.620 -17.253 -7.622 1.00 27.86 O +ANISOU 3010 O HOH A 916 3420 3314 3850 -22 164 375 O +HETATM 3011 O HOH A 917 20.639 -23.086 -13.768 1.00 19.29 O +ANISOU 3011 O HOH A 917 2173 2456 2702 1114 -156 44 O +HETATM 3012 O HOH A 918 21.028 -37.709 -17.025 1.00 32.24 O +ANISOU 3012 O HOH A 918 3341 5135 3773 582 -1236 -2217 O +HETATM 3013 O HOH A 919 23.030 -19.763 -13.139 1.00 31.10 O +ANISOU 3013 O HOH A 919 3786 3799 4230 -23 -641 1878 O +HETATM 3014 O HOH A 920 -7.286 -18.151 21.599 1.00 34.64 O +ANISOU 3014 O HOH A 920 4441 4063 4658 743 2389 490 O +HETATM 3015 O HOH A 921 -0.893 -39.645 19.467 1.00 29.19 O +ANISOU 3015 O HOH A 921 2950 3108 5032 228 -549 -1135 O +HETATM 3016 O HOH A 922 14.968 -22.219 19.548 1.00 25.93 O +ANISOU 3016 O HOH A 922 3554 3378 2921 -211 257 -253 O +HETATM 3017 O HOH A 923 -8.917 -29.683 -1.608 1.00 30.87 O +ANISOU 3017 O HOH A 923 2684 6270 2776 685 -350 549 O +HETATM 3018 O HOH A 924 11.647 -46.578 -13.591 1.00 40.92 O +ANISOU 3018 O HOH A 924 7126 5048 3372 2657 1946 1422 O +HETATM 3019 O HOH A 925 8.939 -31.189 -6.224 1.00 20.77 O +ANISOU 3019 O HOH A 925 2418 2737 2738 69 -266 -302 O +HETATM 3020 O HOH A 926 3.898 -48.558 -11.013 1.00 36.19 O +ANISOU 3020 O HOH A 926 2942 3243 7566 -684 -1434 859 O +HETATM 3021 O HOH A 927 -3.484 -44.766 5.937 1.00 30.92 O +ANISOU 3021 O HOH A 927 4449 3395 3904 630 -699 409 O +HETATM 3022 O HOH A 928 0.603 -25.112 26.533 1.00 34.83 O +ANISOU 3022 O HOH A 928 6237 4413 2584 1091 -19 -1451 O +HETATM 3023 O HOH A 929 -0.197 -23.593 24.485 1.00 22.58 O +ANISOU 3023 O HOH A 929 2905 4050 1624 197 350 -350 O +HETATM 3024 O HOH A 930 1.403 -31.307 -9.888 1.00 31.21 O +ANISOU 3024 O HOH A 930 3068 5490 3300 867 -1174 -1969 O +HETATM 3025 O HOH A 931 18.689 -12.119 1.492 1.00 33.41 O +ANISOU 3025 O HOH A 931 3414 3180 6101 -1006 450 -1226 O +HETATM 3026 O HOH A 932 12.142 -30.479 -12.527 1.00 37.96 O +ANISOU 3026 O HOH A 932 5286 5170 3967 1070 -2149 1051 O +HETATM 3027 O HOH A 933 21.858 -25.731 19.686 1.00 43.17 O +ANISOU 3027 O HOH A 933 6617 6160 3626 -425 -971 -74 O +HETATM 3028 O HOH A 934 3.416 -13.977 23.135 1.00 34.81 O +ANISOU 3028 O HOH A 934 3960 5383 3883 575 -234 -1545 O +HETATM 3029 O HOH A 935 0.262 -34.187 24.504 1.00 29.90 O +ANISOU 3029 O HOH A 935 3523 3841 3995 798 670 2068 O +HETATM 3030 O HOH A 936 4.833 -44.764 2.539 1.00 30.04 O +ANISOU 3030 O HOH A 936 3883 2570 4961 -979 546 -1209 O +HETATM 3031 O HOH A 937 -13.643 -12.228 5.803 1.00 31.53 O +ANISOU 3031 O HOH A 937 4508 4140 3332 1605 -855 286 O +HETATM 3032 O HOH A 938 -10.355 -11.754 2.999 1.00 34.01 O +ANISOU 3032 O HOH A 938 4732 2919 5270 -474 -1171 336 O +HETATM 3033 O HOH A 939 5.417 -23.794 -13.511 1.00 29.59 O +ANISOU 3033 O HOH A 939 4087 4798 2357 263 -1500 784 O +HETATM 3034 O HOH A 940 26.855 -46.199 -13.383 1.00 39.80 O +ANISOU 3034 O HOH A 940 6236 5114 3773 -658 2689 -191 O +HETATM 3035 O HOH A 941 19.250 -18.847 14.873 1.00 34.80 O +ANISOU 3035 O HOH A 941 6538 3960 2724 -2706 1507 -932 O +HETATM 3036 O HOH A 942 18.834 -37.125 -16.250 1.00 34.49 O +ANISOU 3036 O HOH A 942 7010 3848 2247 1229 598 -572 O +HETATM 3037 O HOH A 943 -17.309 -29.720 11.061 1.00 28.02 O +ANISOU 3037 O HOH A 943 2657 5238 2753 467 666 530 O +HETATM 3038 O HOH A 944 30.268 -36.624 -15.706 1.00 8.26 O +ANISOU 3038 O HOH A 944 1422 1249 468 -62 124 -57 O +HETATM 3039 O HOH A 945 33.906 -36.184 -15.719 1.00 9.72 O +ANISOU 3039 O HOH A 945 1565 1540 587 358 72 -55 O +HETATM 3040 O HOH A 946 3.706 -38.803 -9.390 1.00 11.95 O +ANISOU 3040 O HOH A 946 1477 1641 1423 31 -483 -507 O +HETATM 3041 O HOH A 947 31.867 -35.445 -18.080 1.00 9.22 O +ANISOU 3041 O HOH A 947 1480 1564 459 126 110 95 O +HETATM 3042 O HOH A 948 29.214 -14.575 -8.475 1.00 16.64 O +ANISOU 3042 O HOH A 948 2482 1556 2283 175 669 345 O +HETATM 3043 O HOH A 949 -16.041 -17.675 4.275 1.00 22.77 O +ANISOU 3043 O HOH A 949 3028 3253 2370 -1128 -741 249 O +HETATM 3044 O HOH A 950 34.986 -41.434 -5.151 1.00 22.23 O +ANISOU 3044 O HOH A 950 1435 5223 1790 -172 -86 1140 O +HETATM 3045 O HOH A 951 -2.131 -36.043 -6.632 1.00 39.48 O +ANISOU 3045 O HOH A 951 5954 2671 6374 933 -2070 600 O +HETATM 3046 O HOH A 952 6.186 -37.679 -11.825 1.00 36.96 O +ANISOU 3046 O HOH A 952 5321 5618 3103 -2975 1299 -1594 O +HETATM 3047 O HOH A 953 31.308 -25.505 -16.727 1.00 30.78 O +ANISOU 3047 O HOH A 953 4375 5391 1928 780 963 698 O +HETATM 3048 O HOH A 954 28.185 -16.574 8.402 1.00 29.17 O +ANISOU 3048 O HOH A 954 3789 3284 4010 -1378 -1009 -1216 O +HETATM 3049 O HOH A 955 -0.245 -7.869 18.202 1.00 32.42 O +ANISOU 3049 O HOH A 955 3391 2791 6137 -494 786 -2018 O +HETATM 3050 O HOH A 956 4.156 -21.786 -12.057 1.00 31.38 O +ANISOU 3050 O HOH A 956 4414 4053 3454 -289 -1766 955 O +HETATM 3051 O HOH A 957 -0.018 -35.102 -8.058 1.00 36.72 O +ANISOU 3051 O HOH A 957 5728 4287 3939 1956 -2478 -1402 O +HETATM 3052 O HOH A 958 44.347 -30.023 -13.348 1.00 31.45 O +ANISOU 3052 O HOH A 958 4132 1935 5882 276 2239 3 O +HETATM 3053 O HOH A 959 30.659 -23.221 9.560 1.00 36.02 O +ANISOU 3053 O HOH A 959 6371 3776 3539 -802 -146 -1497 O +HETATM 3054 O HOH A 960 9.135 -40.096 -13.661 1.00 27.53 O +ANISOU 3054 O HOH A 960 4158 4160 2143 -253 -1143 240 O +HETATM 3055 O HOH A 961 19.907 -9.970 10.646 1.00 27.28 O +ANISOU 3055 O HOH A 961 3395 2487 4483 -212 -1319 -506 O +HETATM 3056 O HOH A 962 6.178 -48.493 10.707 1.00 31.83 O +ANISOU 3056 O HOH A 962 5346 3418 3329 2070 -108 -995 O +HETATM 3057 O HOH A 963 24.030 -13.761 -0.202 1.00 33.17 O +ANISOU 3057 O HOH A 963 5458 2567 4579 -65 -297 209 O +HETATM 3058 O HOH A 964 30.862 -37.787 9.576 1.00 36.95 O +ANISOU 3058 O HOH A 964 5460 4661 3918 -309 -1599 -1869 O +HETATM 3059 O HOH A 965 36.012 -41.181 0.760 1.00 31.34 O +ANISOU 3059 O HOH A 965 2134 6523 3249 377 -852 66 O +HETATM 3060 O HOH A 966 24.676 -18.023 -9.669 1.00 24.38 O +ANISOU 3060 O HOH A 966 3168 3291 2804 -437 88 1153 O +HETATM 3061 O HOH A 967 0.829 -17.043 24.181 1.00 34.77 O +ANISOU 3061 O HOH A 967 6695 4455 2062 711 -146 -162 O +HETATM 3062 O HOH A 968 35.611 -37.129 -17.591 1.00 27.63 O +ANISOU 3062 O HOH A 968 3844 3960 2695 964 1097 -1144 O +HETATM 3063 O HOH A 969 4.038 -8.242 10.346 1.00 36.75 O +ANISOU 3063 O HOH A 969 2982 3836 7146 -97 1783 1492 O +HETATM 3064 O HOH A 970 -14.857 -30.682 14.295 1.00 34.13 O +ANISOU 3064 O HOH A 970 3238 4797 4935 710 -521 -1791 O +HETATM 3065 O HOH A 971 23.715 -15.918 13.070 1.00 29.88 O +ANISOU 3065 O HOH A 971 4147 3057 4151 -1548 -1027 -770 O +HETATM 3066 O HOH A 972 -7.560 -15.358 20.636 1.00 39.22 O +ANISOU 3066 O HOH A 972 3895 4913 6095 433 -1592 -2625 O +HETATM 3067 O HOH A 973 -13.593 -37.822 17.821 1.00 32.70 O +ANISOU 3067 O HOH A 973 3488 4686 4251 -1339 76 -1382 O +HETATM 3068 O HOH A 974 -6.318 -32.240 -4.356 1.00 35.60 O +ANISOU 3068 O HOH A 974 4202 5203 4123 -2105 -1149 -798 O +HETATM 3069 O HOH A 975 10.840 -12.207 16.459 1.00 42.05 O +ANISOU 3069 O HOH A 975 3909 6694 5374 -1960 330 -2746 O +HETATM 3070 O HOH A 976 41.746 -33.000 -4.872 1.00 28.67 O +ANISOU 3070 O HOH A 976 2222 4883 3789 782 557 1053 O +HETATM 3071 O HOH A 977 17.304 -53.258 -2.902 1.00 27.81 O +ANISOU 3071 O HOH A 977 4534 2569 3465 -935 -1138 314 O +HETATM 3072 O HOH A 978 13.115 -32.059 -18.426 1.00 41.92 O +ANISOU 3072 O HOH A 978 5505 4570 5852 -887 -2683 1225 O +HETATM 3073 O HOH A 979 3.682 -20.258 24.203 1.00 27.28 O +ANISOU 3073 O HOH A 979 4104 3915 2347 129 153 -721 O +HETATM 3074 O HOH A 980 -11.833 -35.923 17.803 1.00 30.29 O +ANISOU 3074 O HOH A 980 3729 3851 3930 -1474 1825 -1597 O +HETATM 3075 O HOH A 981 38.753 -36.291 -5.088 1.00 34.02 O +ANISOU 3075 O HOH A 981 2701 4539 5688 1212 -578 906 O +HETATM 3076 O HOH A 982 18.736 -45.020 -10.340 1.00 31.58 O +ANISOU 3076 O HOH A 982 6136 2793 3069 -216 1956 -602 O +HETATM 3077 O HOH A 983 43.834 -30.713 -5.233 1.00 28.91 O +ANISOU 3077 O HOH A 983 4063 3517 3407 1722 -1893 -1137 O +HETATM 3078 O HOH A 984 4.661 -29.120 -3.118 1.00 7.26 O +ANISOU 3078 O HOH A 984 858 1354 544 -20 -235 0 O +HETATM 3079 O HOH A 985 4.853 -39.885 -11.983 1.00 14.52 O +ANISOU 3079 O HOH A 985 2097 2010 1410 189 -309 -342 O +HETATM 3080 O HOH A 986 38.489 -38.589 -7.423 1.00 20.11 O +ANISOU 3080 O HOH A 986 2657 2127 2858 360 1594 251 O +HETATM 3081 O HOH A 987 21.730 -50.151 -6.857 1.00 29.78 O +ANISOU 3081 O HOH A 987 5284 2788 3245 -864 -1791 599 O +HETATM 3082 O HOH A 988 30.599 -14.856 -6.085 1.00 18.53 O +ANISOU 3082 O HOH A 988 2896 2172 1974 652 551 -10 O +HETATM 3083 O HOH A 989 9.533 -12.507 3.965 1.00 26.24 O +ANISOU 3083 O HOH A 989 2824 2065 5080 572 -1336 -21 O +HETATM 3084 O HOH A 990 13.388 -47.741 9.562 1.00 23.59 O +ANISOU 3084 O HOH A 990 3371 2737 2854 -562 -41 -465 O +HETATM 3085 O HOH A 991 5.713 -46.110 17.854 1.00 27.64 O +ANISOU 3085 O HOH A 991 3593 3589 3320 -1299 -1298 1501 O +HETATM 3086 O HOH A 992 16.385 -51.525 -7.072 1.00 38.14 O +ANISOU 3086 O HOH A 992 4010 6343 4139 1476 -1140 -2778 O +HETATM 3087 O HOH A 993 2.695 -37.250 -12.632 1.00 39.02 O +ANISOU 3087 O HOH A 993 6323 3995 4508 -619 1752 -683 O +HETATM 3088 O HOH A 994 -0.298 -19.321 23.277 1.00 26.73 O +ANISOU 3088 O HOH A 994 3843 3865 2447 221 -130 -288 O +HETATM 3089 O HOH A 995 26.865 -31.742 9.812 1.00 28.95 O +ANISOU 3089 O HOH A 995 3220 2679 5103 -690 -2175 480 O +HETATM 3090 O HOH A 996 5.038 -18.556 -3.470 1.00 31.68 O +ANISOU 3090 O HOH A 996 7013 2331 2691 1320 -1429 -264 O +HETATM 3091 O HOH A 997 29.822 -39.754 -18.747 1.00 35.03 O +ANISOU 3091 O HOH A 997 5788 4424 3098 376 1886 -991 O +HETATM 3092 O HOH A 998 -13.262 -14.352 8.417 1.00 31.20 O +ANISOU 3092 O HOH A 998 2184 4048 5623 -41 696 -524 O +HETATM 3093 O HOH A 999 19.123 -51.917 -6.998 1.00 29.97 O +ANISOU 3093 O HOH A 999 4362 4707 2321 -531 -113 -1249 O +CONECT 2515 2516 2520 +CONECT 2516 2515 2517 +CONECT 2517 2516 2518 +CONECT 2518 2517 2519 +CONECT 2519 2518 2520 +CONECT 2520 2515 2519 2521 +CONECT 2521 2520 2522 2523 +CONECT 2522 2521 2524 +CONECT 2523 2521 2525 +CONECT 2524 2522 2526 2528 +CONECT 2525 2523 2527 2529 +CONECT 2526 2524 +CONECT 2527 2525 +CONECT 2528 2524 2530 +CONECT 2529 2525 2530 +CONECT 2530 2528 2529 2531 +CONECT 2531 2530 2532 2533 2534 +CONECT 2532 2531 +CONECT 2533 2531 +CONECT 2534 2531 2535 +CONECT 2535 2534 2536 2538 +CONECT 2536 2535 2537 2542 +CONECT 2537 2536 +CONECT 2538 2535 2539 +CONECT 2539 2538 2540 2541 +CONECT 2540 2539 +CONECT 2541 2539 +CONECT 2542 2536 2543 +CONECT 2543 2542 2544 2546 +CONECT 2544 2543 2545 2547 +CONECT 2545 2544 +CONECT 2546 2543 +CONECT 2547 2544 +CONECT 2548 2550 2552 +CONECT 2549 2551 2552 +CONECT 2550 2548 +CONECT 2551 2549 +CONECT 2552 2548 2549 2553 2554 +CONECT 2553 2552 +CONECT 2554 2552 2555 +CONECT 2555 2554 +CONECT 2556 2557 2558 +CONECT 2557 2556 +CONECT 2558 2556 2559 2560 +CONECT 2559 2558 +CONECT 2560 2558 2561 +CONECT 2561 2560 +CONECT 2562 2563 2564 +CONECT 2563 2562 +CONECT 2564 2562 2565 2566 +CONECT 2565 2564 +CONECT 2566 2564 2567 +CONECT 2567 2566 +CONECT 2568 2569 2570 +CONECT 2569 2568 +CONECT 2570 2568 2571 2572 +CONECT 2571 2570 +CONECT 2572 2570 2573 +CONECT 2573 2572 +CONECT 2574 2575 2576 2577 +CONECT 2575 2574 +CONECT 2576 2574 +CONECT 2577 2574 +CONECT 2578 2579 2580 2581 +CONECT 2579 2578 +CONECT 2580 2578 +CONECT 2581 2578 +CONECT 2582 2583 2584 2585 +CONECT 2583 2582 +CONECT 2584 2582 +CONECT 2585 2582 +CONECT 2586 2587 2588 2589 +CONECT 2587 2586 +CONECT 2588 2586 +CONECT 2589 2586 +MASTER 395 0 14 12 17 0 31 6 3005 1 75 25 +END diff --git a/tests/test_WaterNetworkAnalysis.py b/tests/test_WaterNetworkAnalysis.py index 0fb0d7b..3e1c22d 100644 --- a/tests/test_WaterNetworkAnalysis.py +++ b/tests/test_WaterNetworkAnalysis.py @@ -5,8 +5,8 @@ import MDAnalysis as mda import numpy as np -import pytest import numpy.testing as npt +import pytest from WaterNetworkAnalysis import ( align_trajectory, From 66d60764e11234d8531c818681871d88c4063dc8 Mon Sep 17 00:00:00 2001 From: Domagoj Fijan Date: Tue, 27 Jan 2026 19:29:24 -0500 Subject: [PATCH 05/10] add prek autoupdate --- .github/workflows/prek-update.yml | 24 ++++++++++++++++++++++++ 1 file changed, 24 insertions(+) create mode 100644 .github/workflows/prek-update.yml diff --git a/.github/workflows/prek-update.yml b/.github/workflows/prek-update.yml new file mode 100644 index 0000000..d3173d5 --- /dev/null +++ b/.github/workflows/prek-update.yml @@ -0,0 +1,24 @@ +name: Prek Update + +on: + schedule: + - cron: "0 0 1 */3 *" + workflow_dispatch: + +jobs: + prek-update: + runs-on: ubuntu-latest + steps: + - uses: actions/checkout@v5 + - name: Set up pixi + uses: prefix-dev/setup-pixi@v0.8.1 + - name: Run prek update + run: pixi run -e lint prek update + - name: Create pull request + uses: peter-evans/create-pull-request@v7 + with: + commit-message: "chore: prek update" + title: "chore: update pre-commit hooks" + body: "Automated prek update." + branch: "automation/prek-update" + labels: "dependencies" From c7ef4e791c778272cacdbb22a55eb584e3d7a9b6 Mon Sep 17 00:00:00 2001 From: Domagoj Fijan Date: Tue, 27 Jan 2026 19:29:51 -0500 Subject: [PATCH 06/10] switch to pixi --- .github/workflows/CI.yaml | 37 +++++++++++++------------- pixi.toml | 56 +++++++++++++++++++++++++++++++++++++++ 2 files changed, 74 insertions(+), 19 deletions(-) create mode 100644 pixi.toml diff --git a/.github/workflows/CI.yaml b/.github/workflows/CI.yaml index fc3ae83..3e01640 100644 --- a/.github/workflows/CI.yaml +++ b/.github/workflows/CI.yaml @@ -1,27 +1,26 @@ -name: PUSH +name: CI -on: [push] +on: [push, pull_request] jobs: - build: - + tests: runs-on: ubuntu-latest strategy: matrix: - python-version: ["3.9","3.10","3.11","3.12"] + pixi-env: ["py39", "py310", "py311", "py312"] + + steps: + - uses: actions/checkout@v5 + - name: Set up pixi + uses: prefix-dev/setup-pixi@v0.8.1 + - name: Run tests + run: pixi run -e ${{ matrix.pixi-env }} pytest + precommit: + runs-on: ubuntu-latest steps: - - uses: actions/checkout@v5 - - name: Set up Python ${{ matrix.python-version }} - uses: actions/setup-python@v6 - with: - python-version: ${{ matrix.python-version }} - - name: Install package - run: | - python -m pip install --upgrade pip - python -m pip install -r requirements/requirements-test.txt - python -m pip install pytest - python -m pip install . - - name: Test with pytest - run: | - python -m pytest + - uses: actions/checkout@v5 + - name: Set up pixi + uses: prefix-dev/setup-pixi@v0.8.1 + - name: Run prek + run: pixi run -e lint prek run --all-files diff --git a/pixi.toml b/pixi.toml new file mode 100644 index 0000000..b31388c --- /dev/null +++ b/pixi.toml @@ -0,0 +1,56 @@ +[workspace] +name = "WaterNetworkAnalysis" +channels = ["conda-forge"] +platforms = ["linux-64", "osx-64", "osx-arm64", "win-64"] + +[dependencies] +python = ">=3.9,<3.13" +pip = "*" + +[pypi-dependencies] +ConservedWaterSearch = ">=0.1.0" +MDAnalysis = ">=2.4.0" +numpy = ">=1.22" +scipy = ">=1.0.0" + +[feature.test.pypi-dependencies] +pytest = "*" +ConservedWaterSearch = "==0.4.1" +MDAnalysis = "==2.7.0" +numpy = "==1.26.4" +scipy = "==1.13.1" + +[feature.lint.pypi-dependencies] +ruff = "*" + +[feature.precommit.pypi-dependencies] +prek = "*" + +[feature.build.pypi-dependencies] +build = "*" + +[feature.py39.dependencies] +python = "3.9.*" + +[feature.py310.dependencies] +python = "3.10.*" + +[feature.py311.dependencies] +python = "3.11.*" + +[feature.py312.dependencies] +python = "3.12.*" + +[environments] +py39 = { features = ["py39", "test"] } +py310 = { features = ["py310", "test"] } +py311 = { features = ["py311", "test"] } +py312 = { features = ["py312", "test"] } +lint = { features = ["py312", "lint", "precommit"] } +build = { features = ["py312", "build"] } + +[tasks] +pytest = "pytest" +lint = "ruff check ." +format = "ruff format ." +precommit = "prek run --all-files" From f4791ec0b1f1a9e5d5b44d71c36a5c250c91800f Mon Sep 17 00:00:00 2001 From: Domagoj Fijan Date: Tue, 27 Jan 2026 19:30:02 -0500 Subject: [PATCH 07/10] add renovate config --- renovate.json | 27 +++++++++++++++++++++++++++ 1 file changed, 27 insertions(+) create mode 100644 renovate.json diff --git a/renovate.json b/renovate.json new file mode 100644 index 0000000..9208b3d --- /dev/null +++ b/renovate.json @@ -0,0 +1,27 @@ +{ + "$schema": "https://docs.renovatebot.com/renovate-schema.json", + "extends": ["config:base"], + "labels": ["dependencies"], + "timezone": "UTC", + "schedule": ["before 6am on monday"], + "rebaseWhen": "conflicted", + "prConcurrentLimit": 5, + "packageRules": [ + { + "matchManagers": ["github-actions"], + "groupName": "github-actions" + }, + { + "matchManagers": ["pre-commit"], + "groupName": "pre-commit hooks" + }, + { + "matchManagers": ["pixi"], + "groupName": "pixi dependencies" + }, + { + "matchManagers": ["pip_requirements", "pep621"], + "groupName": "python dependencies" + } + ] +} From d4b79a875ecdd538b1c5c9888f495a3a43a3590e Mon Sep 17 00:00:00 2001 From: Domagoj Fijan Date: Tue, 27 Jan 2026 19:52:00 -0500 Subject: [PATCH 08/10] update renovate config --- renovate.json | 37 +++++++++++++++++++++++++++++++++++-- 1 file changed, 35 insertions(+), 2 deletions(-) diff --git a/renovate.json b/renovate.json index 9208b3d..b4b063e 100644 --- a/renovate.json +++ b/renovate.json @@ -1,11 +1,44 @@ { "$schema": "https://docs.renovatebot.com/renovate-schema.json", - "extends": ["config:base"], - "labels": ["dependencies"], + "extends": [ + "config:best-practices", + ":semanticCommitsDisabled", + ":label(dependencies)" + ], "timezone": "UTC", "schedule": ["before 6am on monday"], "rebaseWhen": "conflicted", "prConcurrentLimit": 5, + "github-actions": { + "automerge": true + }, + "lockFileMaintenance": { + "description": "Automate lockfile maintenance early on Thursdays.", + "enabled": true, + "automerge": true, + "schedule": ["* 0-3 * * 4"] + }, + "pip-compile": { + "managerFilePatterns": ["/.*requirements.*\\.(txt|pip)$/"], + "automerge": true + }, + "pip_requirements": { + "enabled": true, + "automerge": true + }, + "pep621": { + "automerge": true + }, + "pip_setup": { + "enabled": false + }, + "pixi": { + "enabled": true, + "automerge": true + }, + "pre-commit": { + "automerge": true + }, "packageRules": [ { "matchManagers": ["github-actions"], From 062d20a8e983a78d9c62fd9a8d69a00c6e4b31cb Mon Sep 17 00:00:00 2001 From: Domagoj Fijan Date: Tue, 27 Jan 2026 19:52:28 -0500 Subject: [PATCH 09/10] added group tests job and removed duplicate runners for push/PR --- .github/workflows/CI.yaml | 16 +++++++++++++++- 1 file changed, 15 insertions(+), 1 deletion(-) diff --git a/.github/workflows/CI.yaml b/.github/workflows/CI.yaml index 3e01640..36a39c7 100644 --- a/.github/workflows/CI.yaml +++ b/.github/workflows/CI.yaml @@ -1,6 +1,10 @@ name: CI -on: [push, pull_request] +on: + push: + branches: [main] + pull_request: + workflow_dispatch: jobs: tests: @@ -24,3 +28,13 @@ jobs: uses: prefix-dev/setup-pixi@v0.8.1 - name: Run prek run: pixi run -e lint prek run --all-files + + tests_complete: + name: All tests + if: always() + needs: [tests, precommit] + runs-on: ubuntu-latest + steps: + - run: jq --exit-status 'all(.result == "success")' <<< '${{ toJson(needs) }}' + - name: Done + run: echo "Done." From c7237e4a22787b18234565ae7886b0e7e12dc26f Mon Sep 17 00:00:00 2001 From: Domagoj Fijan Date: Tue, 27 Jan 2026 19:54:56 -0500 Subject: [PATCH 10/10] pixi lock --- pixi.lock | 7378 +++++++++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 7378 insertions(+) create mode 100644 pixi.lock diff --git a/pixi.lock b/pixi.lock new file mode 100644 index 0000000..acb11e3 --- /dev/null +++ b/pixi.lock @@ -0,0 +1,7378 @@ +version: 6 +environments: + build: + channels: + - url: https://conda.anaconda.org/conda-forge/ + indexes: + - https://pypi.org/simple + options: + pypi-prerelease-mode: if-necessary-or-explicit + packages: + linux-64: + - conda: https://conda.anaconda.org/conda-forge/linux-64/_libgcc_mutex-0.1-conda_forge.tar.bz2 + - conda: https://conda.anaconda.org/conda-forge/linux-64/_openmp_mutex-4.5-2_gnu.tar.bz2 + - conda: https://conda.anaconda.org/conda-forge/linux-64/bzip2-1.0.8-hda65f42_8.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/ca-certificates-2026.1.4-hbd8a1cb_0.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/icu-78.2-h33c6efd_0.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/ld_impl_linux-64-2.45-default_hbd61a6d_105.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/libexpat-2.7.3-hecca717_0.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/libffi-3.5.2-h3435931_0.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/libgcc-15.2.0-he0feb66_16.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/libgcc-ng-15.2.0-h69a702a_16.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/libgomp-15.2.0-he0feb66_16.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/liblzma-5.8.2-hb03c661_0.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/libnsl-2.0.1-hb9d3cd8_1.conda + - conda: 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