USER MOD reduce.3.24.130724 H: found=0, std=0, add=1387, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 14-NOV-08 3F9L TITLE EVAULAUTION AT ATOMIC RESOLUTION OF THE ROLE OF STRAIN IN TITLE 2 DESTABILIZING THE TEMPERATURE SENSITIVE T4 LYSOZYME MUTANT TITLE 3 ARG96-->HIS COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: LYSIS PROTEIN, MURAMIDASE, ENDOLYSIN; COMPND 5 EC: 3.2.1.17; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; SOURCE 3 ORGANISM_COMMON: BACTERIOPHAGE T4; SOURCE 4 ORGANISM_TAXID: 10665; SOURCE 5 GENE: GENE E; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: RR1; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PHS1403 KEYWDS ANTIMICROBIAL, BACTERIOLYTIC ENZYME, GLYCOSIDASE, HYDROLASE, KEYWDS 2 T4 LYSOZYME, BOND ANGLE STRAIN, ROTAMER STRAIN, TEMPERATURE KEYWDS 3 SENSITIVE MUTANT EXPDTA X-RAY DIFFRACTION AUTHOR B.H.M MOOERS,B.W.MATTHEWS REVDAT 2 05-MAY-09 3F9L 1 JRNL REVDAT 1 17-FEB-09 3F9L 0 JRNL AUTH B.H.MOOERS,D.E.TRONRUD,B.W.MATTHEWS JRNL TITL EVALUATION AT ATOMIC RESOLUTION OF THE ROLE OF JRNL TITL 2 STRAIN IN DESTABILIZING THE TEMPERATURE-SENSITIVE JRNL TITL 3 T4 LYSOZYME MUTANT ARG 96 --> HIS. JRNL REF PROTEIN SCI. V. 18 863 2009 JRNL REFN ISSN 0961-8368 JRNL PMID 19384984 JRNL DOI 10.1002/PRO.93 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH B.H.MOOERS,W.A.BAASE,J.W.WRAY,B.W.MATTHEWS REMARK 1 TITL CONTRIBUTIONS OF ALL 20 AMINO ACIDS AT SITE 96 TO REMARK 1 TITL 2 THE STABILITY AND STRUCTURE OF T4 LYSOZYME. REMARK 1 REF PROTEIN SCI. V. 18 871 2009 REMARK 1 REFN ISSN 0961-8368 REMARK 1 PMID 19384988 REMARK 1 DOI 10.1002/PRO.94 REMARK 2 REMARK 2 RESOLUTION. 1.19 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : SHELXL-97 REMARK 3 AUTHORS : G.M.SHELDRICK REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.19 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 89.0 REMARK 3 CROSS-VALIDATION METHOD : FREE R REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (NO CUTOFF). REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : 0.157 REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : 0.148 REMARK 3 FREE R VALUE (NO CUTOFF) : 0.189 REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : 4.900 REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : 2873 REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : 58461 REMARK 3 REMARK 3 FIT/AGREEMENT OF MODEL FOR DATA WITH F>4SIG(F). REMARK 3 R VALUE (WORKING + TEST SET, F>4SIG(F)) : NULL REMARK 3 R VALUE (WORKING SET, F>4SIG(F)) : NULL REMARK 3 FREE R VALUE (F>4SIG(F)) : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%, F>4SIG(F)) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (F>4SIG(F)) : NULL REMARK 3 TOTAL NUMBER OF REFLECTIONS (F>4SIG(F)) : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1348 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 10 REMARK 3 SOLVENT ATOMS : 256 REMARK 3 REMARK 3 MODEL REFINEMENT. REMARK 3 OCCUPANCY SUM OF NON-HYDROGEN ATOMS : 1507.35 REMARK 3 OCCUPANCY SUM OF HYDROGEN ATOMS : 1281.00 REMARK 3 NUMBER OF DISCRETELY DISORDERED RESIDUES : 21 REMARK 3 NUMBER OF LEAST-SQUARES PARAMETERS : 14529 REMARK 3 NUMBER OF RESTRAINTS : 18092 REMARK 3 REMARK 3 RMS DEVIATIONS FROM RESTRAINT TARGET VALUES. REMARK 3 BOND LENGTHS (A) : 0.021 REMARK 3 ANGLE DISTANCES (A) : 0.029 REMARK 3 SIMILAR DISTANCES (NO TARGET VALUES) (A) : 0.000 REMARK 3 DISTANCES FROM RESTRAINT PLANES (A) : 0.025 REMARK 3 ZERO CHIRAL VOLUMES (A**3) : 0.069 REMARK 3 NON-ZERO CHIRAL VOLUMES (A**3) : 0.073 REMARK 3 ANTI-BUMPING DISTANCE RESTRAINTS (A) : 0.027 REMARK 3 RIGID-BOND ADP COMPONENTS (A**2) : 0.005 REMARK 3 SIMILAR ADP COMPONENTS (A**2) : 0.047 REMARK 3 APPROXIMATELY ISOTROPIC ADPS (A**2) : 0.088 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED: NULL REMARK 3 REMARK 3 STEREOCHEMISTRY TARGET VALUES : ENGH & HUBER REMARK 3 SPECIAL CASE: NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: ANISOTROPIC REFINEMENT REDUCED FREE REMARK 3 R (NO CUTOFF) BY 3.8% REMARK 4 REMARK 4 3F9L COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-NOV-08. REMARK 100 THE RCSB ID CODE IS RCSB050318. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 07-FEB-02 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.7 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRL REMARK 200 BEAMLINE : BL9-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.82653 REMARK 200 MONOCHROMATOR : SAGITALLY FOCUSED SI(111) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MAR SCANNER 345 MM PLATE REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 50477 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.190 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 89.0 REMARK 200 DATA REDUNDANCY : 4.700 REMARK 200 R MERGE (I) : 0.38000 REMARK 200 R SYM (I) : 0.38000 REMARK 200 FOR THE DATA SET : 18.8700 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.19 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.24 REMARK 200 COMPLETENESS FOR SHELL (%) : 88.9 REMARK 200 DATA REDUNDANCY IN SHELL : 3.50 REMARK 200 R MERGE FOR SHELL (I) : 0.21000 REMARK 200 R SYM FOR SHELL (I) : 0.36000 REMARK 200 FOR SHELL : 3.600 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: AB INITIO REMARK 200 SOFTWARE USED: SHELX REMARK 200 STARTING MODEL: 1L63 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 54.73 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.72 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 2M NA/K PHOSPHATE, PH 6.7, VAPOR REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+1/3 REMARK 290 6555 -X,-X+Y,-Z+2/3 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 64.49533 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 32.24767 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 32.24767 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 64.49533 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 ASN A 163 REMARK 465 LEU A 164 REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 LYS A 16 CA REMARK 480 MET A 106 CA CB CG SD CE 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 ASP A 20 -172.50 -69.15 REMARK 500 ILE A 29 73.88 -105.83 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA A 172 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 11 O REMARK 620 2 TYR A 18 OH 82.0 REMARK 620 3 HOH A 207 O 85.5 164.3 REMARK 620 4 HOH A 204 O 131.0 84.8 110.7 REMARK 620 5 HOH A 263 O 63.2 105.5 60.0 164.4 REMARK 620 6 HOH A 304 O 133.9 112.4 70.3 94.7 70.7 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 K A 174 K REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ILE A 58 O REMARK 620 2 HOH A 371 O 110.6 REMARK 620 3 HOH A 342 O 111.8 97.4 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 A 166 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 172 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 173 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 174 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 178 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1L34 RELATED DB: PDB REMARK 900 MUTANT R96H LYSOZYME AT ROOM TEMPERATURE REMARK 900 RELATED ID: 1L63 RELATED DB: PDB REMARK 900 WILDTYPE T4 LYSOZYME AT ROOM TEMPERATURE REMARK 900 RELATED ID: 3C7W RELATED DB: PDB REMARK 900 MUTANT R96K LYSOZYME AT ROOM TEMPERATURE REMARK 900 RELATED ID: 3C7Y RELATED DB: PDB REMARK 900 MUTANT R96A OF T4 LYSOZYME IN WILDTYPE BACKGROUND AT 298K REMARK 900 RELATED ID: 3C7Z RELATED DB: PDB REMARK 900 MUTANT D89A/R96H LYSOZYME AT ROOM TEMPERATURE REMARK 900 RELATED ID: 3C80 RELATED DB: PDB REMARK 900 MUTANT R96Y LYSOZYME AT ROOM TEMPERATURE REMARK 900 RELATED ID: 3C81 RELATED DB: PDB REMARK 900 MUTANT K85A LYSOZYME AT ROOM TEMPERATURE REMARK 900 RELATED ID: 3C82 RELATED DB: PDB REMARK 900 MUTANT K85A/R96H LYSOZYME AT ROOM REMARK 900 RELATED ID: 3C83 RELATED DB: PDB REMARK 900 MUTANT D89A LYSOZYME AT ROOM TEMPERATURE REMARK 900 RELATED ID: 3C8Q RELATED DB: PDB REMARK 900 MUTANT R96D LYSOZYME AT ROOM TEMPERATURE REMARK 900 RELATED ID: 3C8R RELATED DB: PDB REMARK 900 MUTANT R96G LYSOZYME AT ROOM TEMPERATURE REMARK 900 RELATED ID: 3C8S RELATED DB: PDB REMARK 900 MUTANT R96E LYSOZYME AT ROOM TEMPERATURE REMARK 900 RELATED ID: 3CDO RELATED DB: PDB REMARK 900 MUTANT R96V LYSOZYME AT LOW TEMPERATURE REMARK 900 RELATED ID: 3CDQ RELATED DB: PDB REMARK 900 MUTANT R96S LYSOZYME AT ROOM TEMPERATURE REMARK 900 RELATED ID: 3CDR RELATED DB: PDB REMARK 900 MUTANT R96Q LYSOZYME AT ROOM TEMPERATURE REMARK 900 RELATED ID: 3CDT RELATED DB: PDB REMARK 900 MUTANT R96N LYSOZYME AT ROOM TEMPERATURE REMARK 900 RELATED ID: 3CDV RELATED DB: PDB REMARK 900 MUTANT R96M LYSOZYME AT ROOM TEMPERATURE REMARK 900 RELATED ID: 3F8V RELATED DB: PDB REMARK 900 R96H AT 1.08 ANG REMARK 900 RELATED ID: 3FA0 RELATED DB: PDB REMARK 900 WILD TYPE AT 1.09 ANG REMARK 900 RELATED ID: 3FAD RELATED DB: PDB REMARK 900 D72A/R96H AT 1.20 ANG REMARK 900 RELATED ID: 3FI5 RELATED DB: PDB REMARK 900 R96W AT 1.73 ANG DBREF 3F9L A 1 164 UNP P00720 LYS_BPT4 1 164 SEQADV 3F9L ALA A 72 UNP P00720 ASP 72 ENGINEERED SEQRES 1 A 164 MET ASN ILE PHE GLU MET LEU ARG ILE ASP GLU GLY LEU SEQRES 2 A 164 ARG LEU LYS ILE TYR LYS ASP THR GLU GLY TYR TYR THR SEQRES 3 A 164 ILE GLY ILE GLY HIS LEU LEU THR LYS SER PRO SER LEU SEQRES 4 A 164 ASN ALA ALA LYS SER GLU LEU ASP LYS ALA ILE GLY ARG SEQRES 5 A 164 ASN CYS ASN GLY VAL ILE THR LYS ASP GLU ALA GLU LYS SEQRES 6 A 164 LEU PHE ASN GLN ASP VAL ALA ALA ALA VAL ARG GLY ILE SEQRES 7 A 164 LEU ARG ASN ALA LYS LEU LYS PRO VAL TYR ASP SER LEU SEQRES 8 A 164 ASP ALA VAL ARG ARG CYS ALA LEU ILE ASN MET VAL PHE SEQRES 9 A 164 GLN MET GLY GLU THR GLY VAL ALA GLY PHE THR ASN SER SEQRES 10 A 164 LEU ARG MET LEU GLN GLN LYS ARG TRP ASP GLU ALA ALA SEQRES 11 A 164 VAL ASN LEU ALA LYS SER ARG TRP TYR ASN GLN THR PRO SEQRES 12 A 164 ASN ARG ALA LYS ARG VAL ILE THR THR PHE ARG THR GLY SEQRES 13 A 164 THR TRP ASP ALA TYR LYS ASN LEU HET PO4 A 166 5 HET NA A 172 1 HET CL A 173 2 HET K A 174 1 HET CL A 178 1 HETNAM PO4 PHOSPHATE ION HETNAM NA SODIUM ION HETNAM CL CHLORIDE ION HETNAM K POTASSIUM ION FORMUL 2 PO4 O4 P 3- FORMUL 3 NA NA 1+ FORMUL 4 CL 2(CL 1-) FORMUL 5 K K 1+ FORMUL 7 HOH *244(H2 O) HELIX 1 1 ASN A 2 GLY A 12 1 11 HELIX 2 2 SER A 38 GLY A 51 1 14 HELIX 3 3 THR A 59 ASN A 81 1 23 HELIX 4 4 LYS A 83 LEU A 91 1 9 HELIX 5 5 ASP A 92 GLY A 107 1 16 HELIX 6 6 GLY A 107 GLY A 113 1 7 HELIX 7 7 PHE A 114 GLN A 123 1 10 HELIX 8 8 ARG A 125 ALA A 134 1 10 HELIX 9 9 SER A 136 THR A 142 1 7 HELIX 10 10 THR A 142 GLY A 156 1 15 SHEET 1 A 3 ARG A 14 LYS A 19 0 SHEET 2 A 3 TYR A 25 GLY A 28 -1 O THR A 26 N TYR A 18 SHEET 3 A 3 HIS A 31 LEU A 32 -1 O HIS A 31 N ILE A 27 LINK O GLU A 11 NA NA A 172 1555 1555 2.96 LINK OH TYR A 18 NA NA A 172 1555 1555 2.95 LINK O ILE A 58 K K A 174 1555 1555 2.72 LINK NA NA A 172 O HOH A 207 1555 1555 2.79 LINK NA NA A 172 O HOH A 204 1555 1555 2.83 LINK NA NA A 172 O HOH A 263 1555 1555 2.35 LINK NA NA A 172 O HOH A 304 1555 1555 2.90 LINK K K A 174 O HOH A 371 1555 1555 2.74 LINK K K A 174 O HOH A 342 1555 1555 2.64 SITE *** AC1 9 ARG A 14 LYS A 19 ARG A 125 TRP A 126 SITE *** AC1 9 ASP A 127 GLU A 128 HOH A 192 HOH A 247 SITE *** AC1 9 HOH A 358 SITE *** AC2 6 GLU A 11 TYR A 18 HOH A 204 HOH A 207 SITE *** AC2 6 HOH A 263 HOH A 304 SITE *** AC3 8 SER A 90 LYS A 124 THR A 142 PRO A 143 SITE *** AC3 8 ASN A 144 ARG A 145 HOH A 209 HOH A 214 SITE *** AC4 4 VAL A 57 ILE A 58 HOH A 342 HOH A 371 SITE *** AC5 2 HIS A 31 LYS A 135 CRYST1 60.191 60.191 96.743 90.00 90.00 120.00 P 32 2 1 6 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 0.016614 0.009592 0.000000 0.00000 SCALE2 0.000000 0.019184 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010337 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 155 THR OG1 : rot -69:sc= 1.28 USER MOD Set 1.2: A 157 THR OG1 : rot -59:sc= 0.714 USER MOD Set 2.1: A 105 GLN : amide:sc= 1.57 K(o=2.3,f=-2.9!) USER MOD Set 2.2: A 142 THR OG1 : rot 52:sc= 0.782 USER MOD Set 3.1: A 117 SER OG : rot -14:sc= 1.23 USER MOD Set 3.2: A 132 ASN : amide:sc= 1.3 K(o=2.5,f=0.31!) USER MOD Set 4.1: A 102 MET CE :methyl 163:sc= -0.059 (180deg=-0.294) USER MOD Set 4.2: A 106 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Set 4.3: A 106 MET CE B:methyl 150:sc= -1.02 (180deg=-2.9) USER MOD Set 5.1: A 6 MET CE :methyl 171:sc= -0.103 (180deg=-0.197) USER MOD Set 5.2: A 161 TYR OH : rot 152:sc= 1.27 USER MOD Single : A 1 MET CE A:methyl 166:sc= -0.31 (180deg=-0.566) USER MOD Single : A 1 MET CE B:methyl -152:sc= -0.573 (180deg=-3.61!) USER MOD Single : A 1 MET N A:NH3+ 139:sc= 0.00969 (180deg=0) USER MOD Single : A 1 MET N B:NH3+ -110:sc= 0.0115 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.536 K(o=0.54,f=-5.1!) USER MOD Single : A 16 LYS NZ :NH3+ -154:sc= -0.228 (180deg=-0.999) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ A:NH3+ -163:sc= 1.1 (180deg=0.883) USER MOD Single : A 19 LYS NZ B:NH3+ -167:sc= 0.663 (180deg=0.558) USER MOD Single : A 21 THR OG1 : rot 111:sc= 0.336 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 30:sc= 1.1 USER MOD Single : A 26 THR OG1 : rot 78:sc= 1.5 USER MOD Single : A 31 HIS : +bothHN:sc= 2.39 K(o=2.4,f=-8.5!) USER MOD Single : A 34 THR OG1 : rot 148:sc= 0.39 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 170:sc= 0.269 USER MOD Single : A 38 SER OG : rot 180:sc= 0.301 USER MOD Single : A 40 ASN : amide:sc= -0.0476 K(o=-0.048,f=-0.97) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG A: rot 180:sc= 0 USER MOD Single : A 44 SER OG B: rot 87:sc= 0.302 USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= 1.11 (180deg=0.94) USER MOD Single : A 53 ASN A: amide:sc= -0.0275 K(o=-0.028,f=-0.94) USER MOD Single : A 53 ASN B: amide:sc= -0.11 K(o=-0.11,f=-9.4!) USER MOD Single : A 54 CYS SG : rot 52:sc= 0.00609 USER MOD Single : A 55 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.51) USER MOD Single : A 59 THR OG1 : rot -167:sc= 1.4 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 174:sc= 0.418 (180deg=0.4) USER MOD Single : A 68 ASN : amide:sc= 0.605 K(o=0.6,f=-1.3) USER MOD Single : A 69 GLN : amide:sc= 1.93 X(o=1.9,f=2.3) USER MOD Single : A 81 ASN A: amide:sc= 1.98 K(o=2,f=-8.6!) USER MOD Single : A 81 ASN B: amide:sc= -0.139 K(o=-0.14,f=-3.1) USER MOD Single : A 83 LYS NZ :NH3+ -177:sc= 0.346 (180deg=0.316) USER MOD Single : A 85 LYS NZ :NH3+ 162:sc= -0.0387 (180deg=-0.44) USER MOD Single : A 88 TYR OH : rot 151:sc= 0 USER MOD Single : A 90 SER OG : rot -45:sc= 2.27 USER MOD Single : A 97 CYS SG : rot 70:sc= 0.473 USER MOD Single : A 101 ASN : amide:sc= 2.26 K(o=2.3,f=-5.1!) USER MOD Single : A 109 THR OG1 : rot 130:sc= 0.0059 USER MOD Single : A 115 THR OG1 : rot -56:sc= 1.87 USER MOD Single : A 116 ASN : amide:sc= 0.442 K(o=0.44,f=-4.1!) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN :FLIP amide:sc= -0.101 F(o=-0.67,f=-0.1) USER MOD Single : A 123 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 124 LYS NZ :NH3+ -170:sc= 1.42 (180deg=1.31) USER MOD Single : A 135 LYS NZ :NH3+ 172:sc= 0.22 (180deg=0.202) USER MOD Single : A 136 SER OG : rot -112:sc= 1.12 USER MOD Single : A 139 TYR OH : rot -147:sc= 0.671 USER MOD Single : A 140 ASN : amide:sc= 1.26 X(o=1.3,f=1.2) USER MOD Single : A 141 GLN : amide:sc= -0.0472 X(o=-0.047,f=-0.047) USER MOD Single : A 144 ASN : amide:sc= 0.565 K(o=0.57,f=-1!) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 THR OG1 : rot 81:sc= 0.054 USER MOD Single : A 152 THR OG1 : rot 75:sc= 1.89 USER MOD Single : A 162 LYS NZ :NH3+ 160:sc= 2.56 (180deg=1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N AMET A 1 43.430 -3.267 8.924 0.50 25.68 N ANISOU 1 N AMET A 1 3999 1561 4198 151 540 98 N ATOM 2 N BMET A 1 43.825 -2.754 9.014 0.50 18.88 N ANISOU 2 N BMET A 1 4033 1242 1899 407 327 -238 N ATOM 3 CA AMET A 1 42.843 -1.919 8.962 0.50 18.90 C ANISOU 3 CA AMET A 1 3723 1851 1606 375 77 -397 C ATOM 4 CA BMET A 1 42.898 -1.637 8.945 0.50 18.84 C ANISOU 4 CA BMET A 1 3632 1949 1575 643 184 237 C ATOM 5 C AMET A 1 41.398 -1.967 9.468 0.50 20.14 C ANISOU 5 C AMET A 1 3855 2086 1710 112 220 -328 C ATOM 6 C BMET A 1 41.553 -1.967 9.613 0.50 18.23 C ANISOU 6 C BMET A 1 3653 1981 1291 168 -2 -201 C ATOM 7 O AMET A 1 40.656 -2.911 9.221 0.50 21.23 O ANISOU 7 O AMET A 1 4167 1793 2109 37 590 -295 O ATOM 8 O BMET A 1 41.115 -3.112 9.549 0.50 20.06 O ANISOU 8 O BMET A 1 3682 1824 2116 308 -440 -36 O ATOM 9 CB AMET A 1 42.952 -1.224 7.611 0.50 19.89 C ANISOU 9 CB AMET A 1 3443 2365 1748 288 54 -167 C ATOM 10 CB BMET A 1 42.637 -1.188 7.501 0.50 20.31 C ANISOU 10 CB BMET A 1 3976 2212 1529 -109 -107 184 C ATOM 11 CG AMET A 1 42.445 0.167 7.466 0.50 19.02 C ANISOU 11 CG AMET A 1 3022 2193 2013 -24 25 53 C ATOM 12 CG BMET A 1 43.853 -0.573 6.821 0.50 22.98 C ANISOU 12 CG BMET A 1 4061 3576 1094 -707 -324 44 C ATOM 13 SD AMET A 1 43.281 1.551 8.195 0.50 17.96 S ANISOU 13 SD AMET A 1 2787 2461 1578 397 -159 -390 S ATOM 14 SD BMET A 1 44.472 0.875 7.720 0.50 23.13 S ANISOU 14 SD BMET A 1 3753 2711 2326 -286 -521 224 S ATOM 15 CE AMET A 1 44.996 1.094 7.944 0.50 23.07 C ANISOU 15 CE AMET A 1 2712 3076 2978 -458 1415 -418 C ATOM 16 CE BMET A 1 43.051 1.924 7.361 0.50 21.04 C ANISOU 16 CE BMET A 1 2687 3456 1850 -697 -100 653 C ATOM 0 H1 AMET A 1 43.913 -3.360 8.182 0.50 18.88 H new ATOM 0 H1 BMET A 1 44.486 -2.557 9.576 0.50 18.88 H new ATOM 0 H2 AMET A 1 43.953 -3.383 9.634 0.50 18.88 H new ATOM 0 H2 BMET A 1 43.396 -3.478 9.303 0.50 18.88 H new ATOM 0 H3 AMET A 1 42.780 -3.875 8.933 0.50 18.88 H new ATOM 0 H3 BMET A 1 44.161 -2.912 8.205 0.50 18.88 H new ATOM 0 HA AMET A 1 43.354 -1.387 9.592 0.50 18.84 H new ATOM 0 HA BMET A 1 43.325 -0.912 9.427 0.50 18.84 H new ATOM 0 HB2AMET A 1 43.889 -1.221 7.359 0.50 20.31 H new ATOM 0 HB2BMET A 1 42.338 -1.951 6.983 0.50 20.31 H new ATOM 0 HB3AMET A 1 42.486 -1.774 6.962 0.50 20.31 H new ATOM 0 HB3BMET A 1 41.913 -0.542 7.498 0.50 20.31 H new ATOM 0 HG2AMET A 1 42.385 0.345 6.514 0.50 22.98 H new ATOM 0 HG2BMET A 1 44.557 -1.237 6.755 0.50 22.98 H new ATOM 0 HG3AMET A 1 41.539 0.172 7.813 0.50 22.98 H new ATOM 0 HG3BMET A 1 43.621 -0.316 5.915 0.50 22.98 H new ATOM 0 HE1AMET A 1 45.563 1.866 8.100 0.50 21.04 H new ATOM 0 HE1BMET A 1 43.328 2.854 7.357 0.50 21.04 H new ATOM 0 HE2AMET A 1 45.236 0.387 8.563 0.50 21.04 H new ATOM 0 HE2BMET A 1 42.688 1.691 6.492 0.50 21.04 H new ATOM 0 HE3AMET A 1 45.118 0.782 7.034 0.50 21.04 H new ATOM 0 HE3BMET A 1 42.371 1.792 8.041 0.50 21.04 H new ATOM 17 N ASN A 2 40.988 -0.930 10.188 1.00 17.42 N ANISOU 17 N ASN A 2 3251 1937 1432 97 -39 -208 N ATOM 18 CA ASN A 2 39.658 -0.856 10.774 1.00 16.39 C ANISOU 18 CA ASN A 2 3188 1623 1416 -176 -77 -86 C ATOM 19 C ASN A 2 39.280 0.642 10.844 1.00 15.14 C ANISOU 19 C ASN A 2 2768 1588 1398 -274 -142 -149 C ATOM 20 O ASN A 2 40.093 1.505 10.480 1.00 16.15 O ANISOU 20 O ASN A 2 2982 1773 1382 -375 6 -45 O ATOM 21 CB ASN A 2 39.605 -1.558 12.139 1.00 17.46 C ANISOU 21 CB ASN A 2 3354 1662 1620 -230 -177 52 C ATOM 22 CG ASN A 2 40.536 -0.955 13.166 1.00 16.27 C ANISOU 22 CG ASN A 2 3356 1511 1316 -131 -59 99 C ATOM 23 OD1 ASN A 2 40.515 0.279 13.398 1.00 15.72 O ANISOU 23 OD1 ASN A 2 2829 1610 1533 -62 -19 -41 O ATOM 24 ND2 ASN A 2 41.369 -1.765 13.760 1.00 17.77 N ANISOU 24 ND2 ASN A 2 3351 1666 1735 -86 -195 187 N ATOM 0 H AASN A 2 41.479 -0.243 10.351 0.50 17.42 H new ATOM 0 H BASN A 2 41.405 -0.181 10.255 0.50 17.42 H new ATOM 0 HA ASN A 2 39.008 -1.328 10.230 1.00 16.39 H new ATOM 0 HB2 ASN A 2 38.697 -1.523 12.477 1.00 17.46 H new ATOM 0 HB3 ASN A 2 39.828 -2.495 12.021 1.00 17.46 H new ATOM 0 HD21 ASN A 2 41.931 -1.459 14.334 1.00 17.77 H new ATOM 0 HD22 ASN A 2 41.356 -2.605 13.577 1.00 17.77 H new ATOM 25 N ILE A 3 38.063 0.951 11.253 1.00 15.63 N ANISOU 25 N ILE A 3 2860 1693 1388 -238 37 116 N ATOM 26 CA ILE A 3 37.586 2.315 11.236 1.00 14.72 C ANISOU 26 CA ILE A 3 2684 1715 1194 -188 -77 99 C ATOM 27 C ILE A 3 38.438 3.240 12.117 1.00 14.65 C ANISOU 27 C ILE A 3 2711 1766 1091 -146 -52 117 C ATOM 28 O ILE A 3 38.658 4.407 11.736 1.00 14.91 O ANISOU 28 O ILE A 3 2716 1656 1295 -138 -41 123 O ATOM 29 CB ILE A 3 36.108 2.351 11.650 1.00 15.75 C ANISOU 29 CB ILE A 3 2751 1753 1482 -322 -35 55 C ATOM 30 CG1 ILE A 3 35.519 3.766 11.491 1.00 15.07 C ANISOU 30 CG1 ILE A 3 2519 1831 1374 -260 181 -12 C ATOM 31 CG2 ILE A 3 35.859 1.798 13.049 1.00 16.32 C ANISOU 31 CG2 ILE A 3 2637 1994 1571 -379 39 166 C ATOM 32 CD1 ILE A 3 35.600 4.440 10.166 1.00 17.20 C ANISOU 32 CD1 ILE A 3 3316 1991 1230 -137 -161 46 C ATOM 0 H ILE A 3 37.494 0.377 11.547 1.00 15.63 H new ATOM 0 HA ILE A 3 37.668 2.652 10.330 1.00 14.72 H new ATOM 0 HB ILE A 3 35.642 1.756 11.042 1.00 15.75 H new ATOM 0 HG12 ILE A 3 34.583 3.722 11.740 1.00 15.07 H new ATOM 0 HG13 ILE A 3 35.958 4.340 12.138 1.00 15.07 H new ATOM 0 HG21 ILE A 3 34.912 1.847 13.253 1.00 16.32 H new ATOM 0 HG22 ILE A 3 36.150 0.874 13.088 1.00 16.32 H new ATOM 0 HG23 ILE A 3 36.356 2.321 13.697 1.00 16.32 H new ATOM 0 HD11 ILE A 3 35.190 5.317 10.223 1.00 17.20 H new ATOM 0 HD12 ILE A 3 36.530 4.535 9.907 1.00 17.20 H new ATOM 0 HD13 ILE A 3 35.133 3.908 9.503 1.00 17.20 H new ATOM 33 N PHE A 4 38.929 2.778 13.241 1.00 14.26 N ANISOU 33 N PHE A 4 2597 1734 1086 -101 14 89 N ATOM 34 CA PHE A 4 39.779 3.597 14.106 1.00 14.53 C ANISOU 34 CA PHE A 4 2748 1729 1046 -245 68 -28 C ATOM 35 C PHE A 4 41.080 3.930 13.393 1.00 14.35 C ANISOU 35 C PHE A 4 2695 1551 1208 -104 51 29 C ATOM 36 O PHE A 4 41.548 5.068 13.373 1.00 15.04 O ANISOU 36 O PHE A 4 2602 1559 1552 -205 -30 -7 O ATOM 37 CB PHE A 4 40.031 2.917 15.445 1.00 14.44 C ANISOU 37 CB PHE A 4 2538 1825 1122 -141 -16 79 C ATOM 38 CG PHE A 4 38.772 2.874 16.278 1.00 15.31 C ANISOU 38 CG PHE A 4 2905 1805 1106 -75 230 -19 C ATOM 39 CD1 PHE A 4 37.892 1.807 16.243 1.00 17.51 C ANISOU 39 CD1 PHE A 4 2886 2049 1716 -291 79 409 C ATOM 40 CD2 PHE A 4 38.463 3.945 17.122 1.00 20.76 C ANISOU 40 CD2 PHE A 4 3748 2450 1691 -73 676 -501 C ATOM 41 CE1 PHE A 4 36.749 1.787 17.004 1.00 21.27 C ANISOU 41 CE1 PHE A 4 3381 2973 1727 -698 418 454 C ATOM 42 CE2 PHE A 4 37.305 3.916 17.870 1.00 22.79 C ANISOU 42 CE2 PHE A 4 3688 2988 1982 268 805 -366 C ATOM 43 CZ PHE A 4 36.451 2.853 17.809 1.00 21.08 C ANISOU 43 CZ PHE A 4 3165 3172 1674 344 223 715 C ATOM 0 H PHE A 4 38.786 1.983 13.535 1.00 14.26 H new ATOM 0 HA PHE A 4 39.315 4.427 14.297 1.00 14.53 H new ATOM 0 HB2 PHE A 4 40.355 2.015 15.297 1.00 14.44 H new ATOM 0 HB3 PHE A 4 40.725 3.393 15.927 1.00 14.44 H new ATOM 0 HD1 PHE A 4 38.080 1.084 15.689 1.00 17.51 H new ATOM 0 HD2 PHE A 4 39.037 4.675 17.179 1.00 20.76 H new ATOM 0 HE1 PHE A 4 36.180 1.052 16.972 1.00 21.27 H new ATOM 0 HE2 PHE A 4 37.102 4.633 18.426 1.00 22.79 H new ATOM 0 HZ PHE A 4 35.669 2.853 18.313 1.00 21.08 H new ATOM 44 N GLU A 5 41.753 2.927 12.831 1.00 14.65 N ANISOU 44 N GLU A 5 2676 1614 1275 -106 94 -3 N ATOM 45 CA GLU A 5 43.027 3.174 12.135 1.00 15.29 C ANISOU 45 CA GLU A 5 2666 1843 1302 -160 79 -4 C ATOM 46 C GLU A 5 42.824 4.096 10.947 1.00 14.70 C ANISOU 46 C GLU A 5 2400 1994 1189 20 268 -60 C ATOM 47 O GLU A 5 43.660 4.939 10.642 1.00 16.22 O ANISOU 47 O GLU A 5 2660 1997 1506 -176 61 180 O ATOM 48 CB GLU A 5 43.687 1.877 11.709 1.00 16.74 C ANISOU 48 CB GLU A 5 2741 2095 1527 126 151 -2 C ATOM 49 CG GLU A 5 44.153 0.985 12.874 1.00 18.56 C ANISOU 49 CG GLU A 5 3032 2279 1739 244 145 177 C ATOM 50 CD GLU A 5 44.831 -0.303 12.430 1.00 23.46 C ANISOU 50 CD GLU A 5 3417 2883 2613 1073 823 415 C ATOM 51 OE1 GLU A 5 45.174 -0.407 11.237 1.00 34.13 O ANISOU 51 OE1 GLU A 5 6675 4091 2202 2337 186 -335 O ATOM 52 OE2 GLU A 5 45.115 -1.149 13.300 1.00 25.68 O ANISOU 52 OE2 GLU A 5 4288 2398 3071 557 946 533 O ATOM 0 H GLU A 5 41.498 2.106 12.838 1.00 14.65 H new ATOM 0 HA GLU A 5 43.624 3.614 12.761 1.00 15.29 H new ATOM 0 HB2 GLU A 5 43.064 1.375 11.161 1.00 16.74 H new ATOM 0 HB3 GLU A 5 44.452 2.085 11.150 1.00 16.74 H new ATOM 0 HG2 GLU A 5 44.768 1.489 13.430 1.00 18.56 H new ATOM 0 HG3 GLU A 5 43.387 0.763 13.427 1.00 18.56 H new ATOM 53 N MET A 6 41.715 3.949 10.215 1.00 15.04 N ANISOU 53 N MET A 6 2829 1650 1236 -282 -23 73 N ATOM 54 CA MET A 6 41.383 4.727 9.042 1.00 14.36 C ANISOU 54 CA MET A 6 2604 1701 1151 -126 130 -58 C ATOM 55 C MET A 6 41.217 6.192 9.392 1.00 13.84 C ANISOU 55 C MET A 6 2467 1609 1183 -212 207 39 C ATOM 56 O MET A 6 41.831 7.091 8.828 1.00 15.27 O ANISOU 56 O MET A 6 2785 1784 1233 -484 191 47 O ATOM 57 CB MET A 6 40.100 4.184 8.421 1.00 14.98 C ANISOU 57 CB MET A 6 2771 1719 1200 -275 29 -4 C ATOM 58 CG MET A 6 39.698 4.885 7.128 1.00 15.21 C ANISOU 58 CG MET A 6 2671 1806 1302 -470 -44 35 C ATOM 59 SD MET A 6 37.956 4.586 6.826 1.00 15.33 S ANISOU 59 SD MET A 6 2643 1682 1501 -412 64 100 S ATOM 60 CE MET A 6 37.830 4.811 5.061 1.00 15.80 C ANISOU 60 CE MET A 6 2499 1964 1541 -339 -39 -7 C ATOM 0 H MET A 6 41.115 3.363 10.406 1.00 15.04 H new ATOM 0 HA MET A 6 42.109 4.654 8.403 1.00 14.36 H new ATOM 0 HB2 MET A 6 40.212 3.237 8.244 1.00 14.98 H new ATOM 0 HB3 MET A 6 39.378 4.270 9.063 1.00 14.98 H new ATOM 0 HG2 MET A 6 39.869 5.838 7.195 1.00 15.21 H new ATOM 0 HG3 MET A 6 40.229 4.553 6.387 1.00 15.21 H new ATOM 0 HE1 MET A 6 36.950 4.534 4.761 1.00 15.80 H new ATOM 0 HE2 MET A 6 37.965 5.747 4.843 1.00 15.80 H new ATOM 0 HE3 MET A 6 38.506 4.275 4.617 1.00 15.80 H new ATOM 61 N LEU A 7 40.385 6.441 10.402 1.00 14.22 N ANISOU 61 N LEU A 7 2411 1692 1299 -250 251 -72 N ATOM 62 CA LEU A 7 40.137 7.816 10.833 1.00 14.31 C ANISOU 62 CA LEU A 7 2567 1687 1184 -103 111 -52 C ATOM 63 C LEU A 7 41.346 8.398 11.536 1.00 14.42 C ANISOU 63 C LEU A 7 2616 1664 1198 -184 128 -45 C ATOM 64 O LEU A 7 41.582 9.614 11.393 1.00 15.40 O ANISOU 64 O LEU A 7 2595 1665 1592 -144 114 0 O ATOM 65 CB LEU A 7 38.884 7.917 11.690 1.00 14.18 C ANISOU 65 CB LEU A 7 2656 1494 1238 -249 207 4 C ATOM 66 CG LEU A 7 37.582 8.037 10.884 1.00 14.08 C ANISOU 66 CG LEU A 7 2594 1537 1218 -302 195 -13 C ATOM 67 CD1 LEU A 7 36.384 7.685 11.777 1.00 15.70 C ANISOU 67 CD1 LEU A 7 2764 1784 1416 -414 400 -96 C ATOM 68 CD2 LEU A 7 37.441 9.389 10.223 1.00 14.47 C ANISOU 68 CD2 LEU A 7 2447 1554 1496 -285 151 18 C ATOM 0 H LEU A 7 39.960 5.839 10.845 1.00 14.22 H new ATOM 0 HA LEU A 7 39.980 8.348 10.037 1.00 14.31 H new ATOM 0 HB2 LEU A 7 38.829 7.134 12.260 1.00 14.18 H new ATOM 0 HB3 LEU A 7 38.964 8.688 12.274 1.00 14.18 H new ATOM 0 HG LEU A 7 37.610 7.398 10.155 1.00 14.08 H new ATOM 0 HD11 LEU A 7 35.564 7.762 11.264 1.00 15.70 H new ATOM 0 HD12 LEU A 7 36.478 6.776 12.101 1.00 15.70 H new ATOM 0 HD13 LEU A 7 36.352 8.295 12.531 1.00 15.70 H new ATOM 0 HD21 LEU A 7 36.608 9.421 9.727 1.00 14.47 H new ATOM 0 HD22 LEU A 7 37.440 10.082 10.901 1.00 14.47 H new ATOM 0 HD23 LEU A 7 38.184 9.532 9.616 1.00 14.47 H new ATOM 69 N ARG A 8 42.171 7.613 12.205 1.00 14.44 N ANISOU 69 N ARG A 8 2646 1616 1224 -337 -62 -6 N ATOM 70 CA ARG A 8 43.400 8.131 12.768 1.00 15.23 C ANISOU 70 CA ARG A 8 2696 1695 1397 -194 -99 -55 C ATOM 71 C ARG A 8 44.311 8.657 11.671 1.00 15.29 C ANISOU 71 C ARG A 8 2503 1694 1612 -204 43 -163 C ATOM 72 O ARG A 8 44.973 9.703 11.832 1.00 16.63 O ANISOU 72 O ARG A 8 2778 1807 1733 -396 7 -137 O ATOM 73 CB ARG A 8 44.119 7.018 13.581 1.00 17.23 C ANISOU 73 CB ARG A 8 3031 2003 1512 -159 -373 56 C ATOM 74 CG ARG A 8 45.488 7.371 14.082 1.00 17.73 C ANISOU 74 CG ARG A 8 2930 2135 1672 -105 -372 -145 C ATOM 75 CD ARG A 8 45.559 8.576 15.041 1.00 19.30 C ANISOU 75 CD ARG A 8 2989 2370 1974 -456 33 -410 C ATOM 76 NE ARG A 8 46.934 8.858 15.450 1.00 21.46 N ANISOU 76 NE ARG A 8 3204 2363 2586 -605 -214 -552 N ATOM 77 CZ ARG A 8 47.827 9.544 14.727 1.00 22.25 C ANISOU 77 CZ ARG A 8 3062 2456 2937 -623 -458 -148 C ATOM 78 NH1 ARG A 8 47.471 10.031 13.535 1.00 23.99 N ANISOU 78 NH1 ARG A 8 3533 2596 2987 -531 -327 -5 N ATOM 79 NH2 ARG A 8 49.062 9.749 15.175 1.00 27.05 N ANISOU 79 NH2 ARG A 8 3302 3651 3325 -1099 -572 -561 N ATOM 0 H ARG A 8 42.037 6.775 12.344 1.00 14.44 H new ATOM 0 HA ARG A 8 43.185 8.867 13.362 1.00 15.23 H new ATOM 0 HB2 ARG A 8 43.564 6.783 14.341 1.00 17.23 H new ATOM 0 HB3 ARG A 8 44.189 6.226 13.025 1.00 17.23 H new ATOM 0 HG2 ARG A 8 45.859 6.597 14.534 1.00 17.73 H new ATOM 0 HG3 ARG A 8 46.057 7.553 13.318 1.00 17.73 H new ATOM 0 HD2 ARG A 8 45.183 9.358 14.608 1.00 19.30 H new ATOM 0 HD3 ARG A 8 45.017 8.398 15.826 1.00 19.30 H new ATOM 0 HE ARG A 8 47.189 8.560 16.215 1.00 21.46 H new ATOM 0 HH11 ARG A 8 46.674 9.903 13.239 1.00 23.99 H new ATOM 0 HH12 ARG A 8 48.039 10.473 13.064 1.00 23.99 H new ATOM 0 HH21 ARG A 8 49.298 9.439 15.941 1.00 27.05 H new ATOM 0 HH22 ARG A 8 49.624 10.192 14.698 1.00 27.05 H new ATOM 80 N ILE A 9 44.399 7.969 10.530 1.00 15.14 N ANISOU 80 N ILE A 9 2537 1792 1425 -356 -52 -59 N ATOM 81 CA ILE A 9 45.191 8.456 9.417 1.00 16.08 C ANISOU 81 CA ILE A 9 2471 2169 1470 -432 18 -157 C ATOM 82 C ILE A 9 44.595 9.740 8.874 1.00 16.37 C ANISOU 82 C ILE A 9 2538 2122 1561 -438 338 76 C ATOM 83 O ILE A 9 45.315 10.729 8.624 1.00 18.31 O ANISOU 83 O ILE A 9 2743 2312 1902 -615 36 86 O ATOM 84 CB ILE A 9 45.287 7.392 8.296 1.00 17.04 C ANISOU 84 CB ILE A 9 2676 2160 1639 -395 204 -152 C ATOM 85 CG1 ILE A 9 46.244 6.279 8.722 1.00 18.38 C ANISOU 85 CG1 ILE A 9 2584 2193 2208 -405 93 -243 C ATOM 86 CG2 ILE A 9 45.631 8.029 6.940 1.00 18.72 C ANISOU 86 CG2 ILE A 9 3076 2480 1556 -670 327 -289 C ATOM 87 CD1 ILE A 9 46.072 4.985 7.976 1.00 19.22 C ANISOU 87 CD1 ILE A 9 2730 2427 2146 -92 148 -545 C ATOM 0 H ILE A 9 44.005 7.218 10.387 1.00 15.14 H new ATOM 0 HA ILE A 9 46.088 8.636 9.739 1.00 16.08 H new ATOM 0 HB ILE A 9 44.419 6.981 8.163 1.00 17.04 H new ATOM 0 HG12 ILE A 9 47.155 6.589 8.602 1.00 18.38 H new ATOM 0 HG13 ILE A 9 46.124 6.111 9.670 1.00 18.38 H new ATOM 0 HG21 ILE A 9 45.684 7.338 6.262 1.00 18.72 H new ATOM 0 HG22 ILE A 9 44.942 8.667 6.698 1.00 18.72 H new ATOM 0 HG23 ILE A 9 46.485 8.485 7.004 1.00 18.72 H new ATOM 0 HD11 ILE A 9 46.713 4.335 8.304 1.00 19.22 H new ATOM 0 HD12 ILE A 9 45.172 4.649 8.113 1.00 19.22 H new ATOM 0 HD13 ILE A 9 46.220 5.135 7.029 1.00 19.22 H new ATOM 88 N ASP A 10 43.291 9.809 8.684 1.00 15.29 N ANISOU 88 N ASP A 10 2608 1760 1442 -350 296 -154 N ATOM 89 CA ASP A 10 42.670 10.954 8.050 1.00 15.40 C ANISOU 89 CA ASP A 10 2840 1824 1189 -481 38 -94 C ATOM 90 C ASP A 10 42.616 12.175 8.964 1.00 14.79 C ANISOU 90 C ASP A 10 2825 1692 1100 -318 88 -6 C ATOM 91 O ASP A 10 42.590 13.277 8.439 1.00 17.38 O ANISOU 91 O ASP A 10 3506 1734 1365 -383 131 52 O ATOM 92 CB ASP A 10 41.262 10.591 7.530 1.00 15.49 C ANISOU 92 CB ASP A 10 2715 1795 1375 -397 146 -141 C ATOM 93 CG ASP A 10 41.236 9.726 6.305 1.00 15.23 C ANISOU 93 CG ASP A 10 2725 1772 1291 -628 160 -20 C ATOM 94 OD1 ASP A 10 42.240 9.784 5.532 1.00 16.03 O ANISOU 94 OD1 ASP A 10 2575 2095 1420 -537 203 -203 O ATOM 95 OD2 ASP A 10 40.274 8.983 6.071 1.00 16.99 O ANISOU 95 OD2 ASP A 10 2761 2156 1540 -831 276 -265 O ATOM 0 H ASP A 10 42.740 9.192 8.919 1.00 15.29 H new ATOM 0 HA ASP A 10 43.229 11.197 7.295 1.00 15.40 H new ATOM 0 HB2 ASP A 10 40.778 10.138 8.238 1.00 15.49 H new ATOM 0 HB3 ASP A 10 40.782 11.412 7.339 1.00 15.49 H new ATOM 96 N GLU A 11 42.562 11.963 10.259 1.00 15.16 N ANISOU 96 N GLU A 11 2846 1717 1198 -294 129 -71 N ATOM 97 CA GLU A 11 42.341 13.082 11.188 1.00 16.65 C ANISOU 97 CA GLU A 11 3259 1913 1153 -474 104 -220 C ATOM 98 C GLU A 11 43.598 13.539 11.889 1.00 17.19 C ANISOU 98 C GLU A 11 3298 1896 1335 -528 -5 -130 C ATOM 99 O GLU A 11 43.674 14.662 12.437 1.00 19.10 O ANISOU 99 O GLU A 11 3655 1951 1650 -561 -221 -184 O ATOM 100 CB GLU A 11 41.266 12.758 12.238 1.00 17.65 C ANISOU 100 CB GLU A 11 3244 1995 1466 -373 332 -253 C ATOM 101 CG GLU A 11 39.897 12.577 11.598 1.00 18.67 C ANISOU 101 CG GLU A 11 3419 2048 1626 -759 214 -184 C ATOM 102 CD GLU A 11 39.233 13.842 11.056 1.00 18.22 C ANISOU 102 CD GLU A 11 3219 2095 1610 -420 237 -440 C ATOM 103 OE1 GLU A 11 38.139 13.752 10.445 1.00 20.18 O ANISOU 103 OE1 GLU A 11 3638 2301 1727 -776 -34 -242 O ATOM 104 OE2 GLU A 11 39.805 14.947 11.223 1.00 20.82 O ANISOU 104 OE2 GLU A 11 3211 2022 2677 -193 -217 -502 O ATOM 0 H GLU A 11 42.648 11.193 10.632 1.00 15.16 H new ATOM 0 HA GLU A 11 42.032 13.810 10.626 1.00 16.65 H new ATOM 0 HB2 GLU A 11 41.511 11.949 12.715 1.00 17.65 H new ATOM 0 HB3 GLU A 11 41.226 13.472 12.893 1.00 17.65 H new ATOM 0 HG2 GLU A 11 39.982 11.942 10.870 1.00 18.67 H new ATOM 0 HG3 GLU A 11 39.304 12.179 12.254 1.00 18.67 H new ATOM 105 N GLY A 12 44.603 12.675 12.016 1.00 17.15 N ANISOU 105 N GLY A 12 3129 1909 1477 -707 -10 5 N ATOM 106 CA GLY A 12 45.770 13.036 12.777 1.00 17.28 C ANISOU 106 CA GLY A 12 2908 2125 1532 -749 204 -352 C ATOM 107 C GLY A 12 45.541 12.912 14.273 1.00 16.08 C ANISOU 107 C GLY A 12 2545 2096 1470 -358 126 -138 C ATOM 108 O GLY A 12 44.482 12.501 14.766 1.00 17.88 O ANISOU 108 O GLY A 12 2548 2682 1563 -419 91 -56 O ATOM 0 H GLY A 12 44.620 11.888 11.671 1.00 17.15 H new ATOM 0 HA2 GLY A 12 46.512 12.468 12.517 1.00 17.28 H new ATOM 0 HA3 GLY A 12 46.023 13.948 12.565 1.00 17.28 H new ATOM 109 N LEU A 13 46.569 13.288 15.037 1.00 16.95 N ANISOU 109 N LEU A 13 2727 2159 1556 -523 116 -180 N ATOM 110 CA LEU A 13 46.503 13.344 16.491 1.00 17.05 C ANISOU 110 CA LEU A 13 2701 2219 1559 -501 20 -49 C ATOM 111 C LEU A 13 47.270 14.581 16.987 1.00 18.73 C ANISOU 111 C LEU A 13 2633 2669 1813 -687 231 -539 C ATOM 112 O LEU A 13 48.483 14.709 16.757 1.00 20.34 O ANISOU 112 O LEU A 13 2613 2984 2132 -694 198 -475 O ATOM 113 CB LEU A 13 47.047 12.072 17.150 1.00 19.07 C ANISOU 113 CB LEU A 13 2643 2642 1960 -167 -201 213 C ATOM 114 CG LEU A 13 47.226 12.122 18.681 1.00 22.07 C ANISOU 114 CG LEU A 13 3172 3252 1962 205 14 281 C ATOM 115 CD1 LEU A 13 45.953 12.428 19.423 1.00 23.45 C ANISOU 115 CD1 LEU A 13 3010 3641 2261 -773 416 321 C ATOM 116 CD2 LEU A 13 47.838 10.758 19.036 1.00 32.69 C ANISOU 116 CD2 LEU A 13 4478 4434 3509 932 -515 1671 C ATOM 0 H LEU A 13 47.333 13.520 14.717 1.00 16.95 H new ATOM 0 HA LEU A 13 45.569 13.411 16.746 1.00 17.05 H new ATOM 0 HB2 LEU A 13 46.449 11.338 16.937 1.00 19.07 H new ATOM 0 HB3 LEU A 13 47.906 11.864 16.749 1.00 19.07 H new ATOM 0 HG LEU A 13 47.801 12.853 18.955 1.00 22.07 H new ATOM 0 HD11 LEU A 13 46.130 12.445 20.377 1.00 23.45 H new ATOM 0 HD12 LEU A 13 45.614 13.292 19.142 1.00 23.45 H new ATOM 0 HD13 LEU A 13 45.293 11.744 19.230 1.00 23.45 H new ATOM 0 HD21 LEU A 13 47.984 10.708 19.994 1.00 32.69 H new ATOM 0 HD22 LEU A 13 47.232 10.051 18.764 1.00 32.69 H new ATOM 0 HD23 LEU A 13 48.685 10.653 18.575 1.00 32.69 H new ATOM 117 N ARG A 14 46.580 15.510 17.607 1.00 16.99 N ANISOU 117 N ARG A 14 2638 2225 1591 -529 10 -49 N ATOM 118 CA ARG A 14 47.131 16.739 18.147 1.00 17.56 C ANISOU 118 CA ARG A 14 2653 2338 1683 -548 -262 -132 C ATOM 119 C ARG A 14 46.604 16.969 19.541 1.00 17.56 C ANISOU 119 C ARG A 14 2640 2272 1761 -616 -117 -232 C ATOM 120 O ARG A 14 45.381 16.883 19.753 1.00 19.22 O ANISOU 120 O ARG A 14 2608 2631 2064 -340 -215 -381 O ATOM 121 CB ARG A 14 46.866 17.944 17.232 1.00 20.44 C ANISOU 121 CB ARG A 14 3616 2161 1988 -647 57 -57 C ATOM 122 CG ARG A 14 47.323 17.734 15.790 1.00 23.06 C ANISOU 122 CG ARG A 14 4296 2558 1906 -627 150 174 C ATOM 123 CD ARG A 14 47.314 18.946 14.909 1.00 23.93 C ANISOU 123 CD ARG A 14 4132 2667 2293 -229 52 366 C ATOM 124 NE ARG A 14 48.329 19.934 15.289 1.00 29.70 N ANISOU 124 NE ARG A 14 5876 3040 2370 -1370 199 334 N ATOM 125 CZ ARG A 14 48.412 21.146 14.723 1.00 31.90 C ANISOU 125 CZ ARG A 14 5725 3341 3055 -1148 691 846 C ATOM 126 NH1 ARG A 14 47.539 21.473 13.775 1.00 28.44 N ANISOU 126 NH1 ARG A 14 5161 2641 3003 214 1252 148 N ATOM 127 NH2 ARG A 14 49.338 21.991 15.099 1.00 51.12 N ANISOU 127 NH2 ARG A 14 10413 2772 6240 -2294 -2744 911 N ATOM 0 H ARG A 14 45.732 15.442 17.734 1.00 16.99 H new ATOM 0 HA ARG A 14 48.095 16.643 18.193 1.00 17.56 H new ATOM 0 HB2 ARG A 14 45.916 18.140 17.236 1.00 20.44 H new ATOM 0 HB3 ARG A 14 47.318 18.721 17.596 1.00 20.44 H new ATOM 0 HG2 ARG A 14 48.224 17.375 15.805 1.00 23.06 H new ATOM 0 HG3 ARG A 14 46.755 17.059 15.386 1.00 23.06 H new ATOM 0 HD2 ARG A 14 47.462 18.673 13.990 1.00 23.93 H new ATOM 0 HD3 ARG A 14 46.437 19.360 14.944 1.00 23.93 H new ATOM 0 HE ARG A 14 48.896 19.727 15.902 1.00 29.70 H new ATOM 0 HH11 ARG A 14 46.934 20.911 13.535 1.00 28.44 H new ATOM 0 HH12 ARG A 14 47.579 22.247 13.402 1.00 28.44 H new ATOM 0 HH21 ARG A 14 49.898 21.770 15.713 1.00 51.12 H new ATOM 0 HH22 ARG A 14 49.386 22.767 14.732 1.00 51.12 H new ATOM 128 N LEU A 15 47.436 17.218 20.533 1.00 18.82 N ANISOU 128 N LEU A 15 2551 2972 1628 -570 -30 -167 N ATOM 129 CA LEU A 15 47.013 17.317 21.940 1.00 19.58 C ANISOU 129 CA LEU A 15 2729 3155 1555 141 -64 7 C ATOM 130 C LEU A 15 46.704 18.743 22.412 1.00 18.71 C ANISOU 130 C LEU A 15 2678 2894 1537 -296 -69 -11 C ATOM 131 O LEU A 15 46.251 18.831 23.561 1.00 22.46 O ANISOU 131 O LEU A 15 4112 2755 1669 -28 266 96 O ATOM 132 CB LEU A 15 48.056 16.678 22.875 1.00 22.04 C ANISOU 132 CB LEU A 15 3204 3184 1985 -21 -466 119 C ATOM 133 CG LEU A 15 48.353 15.192 22.565 1.00 22.43 C ANISOU 133 CG LEU A 15 2787 3441 2293 475 1 189 C ATOM 134 CD1 LEU A 15 49.361 14.675 23.578 1.00 30.19 C ANISOU 134 CD1 LEU A 15 3842 5268 2362 1718 30 568 C ATOM 135 CD2 LEU A 15 47.083 14.374 22.514 1.00 23.54 C ANISOU 135 CD2 LEU A 15 3537 2841 2565 48 890 98 C ATOM 0 H LEU A 15 48.280 17.338 20.418 1.00 18.82 H new ATOM 0 HA LEU A 15 46.177 16.827 21.984 1.00 19.58 H new ATOM 0 HB2 LEU A 15 48.882 17.183 22.815 1.00 22.04 H new ATOM 0 HB3 LEU A 15 47.744 16.752 23.791 1.00 22.04 H new ATOM 0 HG LEU A 15 48.744 15.108 21.681 1.00 22.43 H new ATOM 0 HD11 LEU A 15 49.556 13.743 23.394 1.00 30.19 H new ATOM 0 HD12 LEU A 15 50.178 15.194 23.516 1.00 30.19 H new ATOM 0 HD13 LEU A 15 48.993 14.758 24.472 1.00 30.19 H new ATOM 0 HD21 LEU A 15 47.301 13.449 22.318 1.00 23.54 H new ATOM 0 HD22 LEU A 15 46.631 14.425 23.371 1.00 23.54 H new ATOM 0 HD23 LEU A 15 46.501 14.722 21.820 1.00 23.54 H new ATOM 136 N LYS A 16 46.868 19.775 21.613 1.00 19.60 N ANISOU 136 N LYS A 16 2522 3340 1585 -347 -133 303 N ATOM 137 CA LYS A 16 46.561 21.168 21.880 0.00 19.92 C ANISOU 137 CA LYS A 16 2884 3163 1520 -390 236 635 C ATOM 138 C LYS A 16 45.435 21.584 20.941 1.00 17.76 C ANISOU 138 C LYS A 16 2669 2489 1591 -457 140 -163 C ATOM 139 O LYS A 16 45.369 21.066 19.798 1.00 19.10 O ANISOU 139 O LYS A 16 2844 2832 1579 -445 213 -289 O ATOM 140 CB LYS A 16 47.815 22.049 21.734 1.00 27.51 C ANISOU 140 CB LYS A 16 3451 4021 2980 -1350 -1085 825 C ATOM 141 CG LYS A 16 49.012 21.441 22.473 1.00 31.13 C ANISOU 141 CG LYS A 16 3861 3885 4085 -1045 -1624 504 C ATOM 142 CD LYS A 16 50.284 22.247 22.253 0.50 32.37 C ANISOU 142 CD LYS A 16 3529 3827 4944 -855 -1629 84 C ATOM 143 CE LYS A 16 51.155 22.193 23.496 0.50 29.50 C ANISOU 143 CE LYS A 16 3493 3454 4261 -1021 -1118 206 C ATOM 144 NZ LYS A 16 50.468 22.635 24.737 0.50 40.24 N ANISOU 144 NZ LYS A 16 4164 6945 4181 -1239 267 1439 N ATOM 0 H LYS A 16 47.193 19.671 20.824 1.00 19.60 H new ATOM 0 HA LYS A 16 46.267 21.285 22.797 0.00 19.92 H new ATOM 0 HB2 LYS A 16 48.032 22.154 20.794 1.00 27.51 H new ATOM 0 HB3 LYS A 16 47.633 22.935 22.084 1.00 27.51 H new ATOM 0 HG2 LYS A 16 48.817 21.397 23.422 1.00 31.13 H new ATOM 0 HG3 LYS A 16 49.150 20.530 22.170 1.00 31.13 H new ATOM 0 HD2 LYS A 16 50.771 21.895 21.492 0.50 32.37 H new ATOM 0 HD3 LYS A 16 50.061 23.168 22.045 0.50 32.37 H new ATOM 0 HE2 LYS A 16 51.471 21.284 23.619 0.50 29.50 H new ATOM 0 HE3 LYS A 16 51.938 22.749 23.355 0.50 29.50 H new ATOM 0 HZ1 LYS A 16 51.070 22.939 25.318 0.50 40.24 H new ATOM 0 HZ2 LYS A 16 49.890 23.283 24.542 0.50 40.24 H new ATOM 0 HZ3 LYS A 16 50.031 21.947 25.096 0.50 40.24 H new ATOM 145 N ILE A 17 44.545 22.440 21.355 1.00 18.29 N ANISOU 145 N ILE A 17 2808 2744 1398 -372 -54 -241 N ATOM 146 CA ILE A 17 43.526 22.967 20.462 1.00 16.54 C ANISOU 146 CA ILE A 17 2913 2026 1345 -511 -116 -202 C ATOM 147 C ILE A 17 44.176 23.505 19.192 1.00 18.49 C ANISOU 147 C ILE A 17 3373 2217 1436 -924 22 -268 C ATOM 148 O ILE A 17 45.194 24.211 19.257 1.00 20.79 O ANISOU 148 O ILE A 17 3542 2511 1846 -1198 -23 -228 O ATOM 149 CB ILE A 17 42.714 24.079 21.148 1.00 19.15 C ANISOU 149 CB ILE A 17 3610 2088 1577 -238 27 -232 C ATOM 150 CG1 ILE A 17 41.857 23.538 22.311 1.00 20.09 C ANISOU 150 CG1 ILE A 17 3858 2161 1616 47 284 -111 C ATOM 151 CG2 ILE A 17 41.845 24.813 20.143 1.00 18.89 C ANISOU 151 CG2 ILE A 17 3620 1953 1605 -143 186 -156 C ATOM 152 CD1 ILE A 17 41.171 24.563 23.173 1.00 22.29 C ANISOU 152 CD1 ILE A 17 4659 1856 1956 -249 662 -249 C ATOM 0 H ILE A 17 44.504 22.740 22.160 1.00 18.29 H new ATOM 0 HA ILE A 17 42.920 22.246 20.232 1.00 16.54 H new ATOM 0 HB ILE A 17 43.352 24.706 21.524 1.00 19.15 H new ATOM 0 HG12 ILE A 17 41.180 22.950 21.941 1.00 20.09 H new ATOM 0 HG13 ILE A 17 42.425 22.994 22.879 1.00 20.09 H new ATOM 0 HG21 ILE A 17 41.343 25.508 20.596 1.00 18.89 H new ATOM 0 HG22 ILE A 17 42.406 25.213 19.460 1.00 18.89 H new ATOM 0 HG23 ILE A 17 41.230 24.188 19.729 1.00 18.89 H new ATOM 0 HD11 ILE A 17 40.664 24.115 23.868 1.00 22.29 H new ATOM 0 HD12 ILE A 17 41.835 25.141 23.580 1.00 22.29 H new ATOM 0 HD13 ILE A 17 40.571 25.095 22.628 1.00 22.29 H new ATOM 153 N TYR A 18 43.590 23.161 18.074 1.00 16.42 N ANISOU 153 N TYR A 18 2600 2237 1402 -522 68 -45 N ATOM 154 CA TYR A 18 44.065 23.621 16.764 1.00 17.08 C ANISOU 154 CA TYR A 18 2633 2403 1453 -669 122 1 C ATOM 155 C TYR A 18 42.872 23.909 15.879 1.00 16.73 C ANISOU 155 C TYR A 18 2695 2034 1626 -599 117 239 C ATOM 156 O TYR A 18 41.748 23.521 16.231 1.00 17.95 O ANISOU 156 O TYR A 18 2654 2485 1682 -734 15 379 O ATOM 157 CB TYR A 18 44.978 22.579 16.109 1.00 17.98 C ANISOU 157 CB TYR A 18 2483 2636 1714 -583 373 140 C ATOM 158 CG TYR A 18 44.294 21.281 15.700 1.00 17.70 C ANISOU 158 CG TYR A 18 2550 2646 1528 -389 28 -143 C ATOM 159 CD1 TYR A 18 43.845 21.109 14.381 1.00 22.28 C ANISOU 159 CD1 TYR A 18 3643 3309 1512 265 -67 -452 C ATOM 160 CD2 TYR A 18 44.122 20.209 16.563 1.00 18.73 C ANISOU 160 CD2 TYR A 18 3004 2526 1586 -789 188 -321 C ATOM 161 CE1 TYR A 18 43.235 19.945 13.990 1.00 24.26 C ANISOU 161 CE1 TYR A 18 3621 3685 1913 546 -587 -1138 C ATOM 162 CE2 TYR A 18 43.503 19.026 16.161 1.00 19.82 C ANISOU 162 CE2 TYR A 18 2943 2365 2225 -392 115 -697 C ATOM 163 CZ TYR A 18 43.070 18.916 14.867 1.00 22.63 C ANISOU 163 CZ TYR A 18 2867 2945 2787 109 -552 -1296 C ATOM 164 OH TYR A 18 42.461 17.761 14.426 1.00 29.52 O ANISOU 164 OH TYR A 18 3010 3392 4813 247 -996 -2338 O ATOM 0 H TYR A 18 42.899 22.651 18.037 1.00 16.42 H new ATOM 0 HA TYR A 18 44.586 24.431 16.885 1.00 17.08 H new ATOM 0 HB2 TYR A 18 45.384 22.975 15.322 1.00 17.98 H new ATOM 0 HB3 TYR A 18 45.698 22.368 16.724 1.00 17.98 H new ATOM 0 HD1 TYR A 18 43.963 21.794 13.764 1.00 22.28 H new ATOM 0 HD2 TYR A 18 44.429 20.282 17.438 1.00 18.73 H new ATOM 0 HE1 TYR A 18 42.930 19.857 13.116 1.00 24.26 H new ATOM 0 HE2 TYR A 18 43.386 18.325 16.761 1.00 19.82 H new ATOM 0 HH TYR A 18 42.420 17.207 15.056 1.00 29.52 H new ATOM 165 N ALYS A 19 43.054 24.514 14.721 0.50 17.17 N ANISOU 165 N ALYS A 19 2940 2149 1435 -595 194 72 N ATOM 166 N BLYS A 19 43.041 24.567 14.744 0.50 16.46 N ANISOU 166 N BLYS A 19 2933 2111 1211 -807 89 -133 N ATOM 167 CA ALYS A 19 41.988 24.786 13.766 0.50 15.93 C ANISOU 167 CA ALYS A 19 2822 1936 1296 -596 270 -50 C ATOM 168 CA BLYS A 19 41.901 24.715 13.848 0.50 15.91 C ANISOU 168 CA BLYS A 19 2680 1866 1500 -416 156 -101 C ATOM 169 C ALYS A 19 41.935 23.751 12.648 0.50 17.03 C ANISOU 169 C ALYS A 19 3000 2147 1323 -912 607 -195 C ATOM 170 C BLYS A 19 41.964 23.629 12.770 0.50 14.63 C ANISOU 170 C BLYS A 19 2602 1814 1143 -132 -225 99 C ATOM 171 O ALYS A 19 42.930 23.535 11.947 0.50 18.02 O ANISOU 171 O ALYS A 19 3227 2256 1365 -750 830 15 O ATOM 172 O BLYS A 19 43.031 23.294 12.246 0.50 14.48 O ANISOU 172 O BLYS A 19 2622 1808 1074 -98 -252 20 O ATOM 173 CB ALYS A 19 42.181 26.179 13.173 0.50 18.68 C ANISOU 173 CB ALYS A 19 3569 2019 1508 -906 -151 81 C ATOM 174 CB BLYS A 19 41.830 26.078 13.187 0.50 16.97 C ANISOU 174 CB BLYS A 19 2952 1801 1697 -541 300 -100 C ATOM 175 CG ALYS A 19 41.904 27.284 14.186 0.50 19.23 C ANISOU 175 CG ALYS A 19 3463 1863 1979 -880 538 126 C ATOM 176 CG BLYS A 19 41.599 27.220 14.163 0.50 15.42 C ANISOU 176 CG BLYS A 19 2441 1865 1554 -437 266 -27 C ATOM 177 CD ALYS A 19 41.519 28.583 13.499 0.50 18.22 C ANISOU 177 CD ALYS A 19 2764 2235 1924 -638 -30 84 C ATOM 178 CD BLYS A 19 42.137 28.527 13.620 0.50 18.67 C ANISOU 178 CD BLYS A 19 3245 1924 1925 -899 469 -286 C ATOM 179 CE ALYS A 19 41.131 29.679 14.464 0.50 22.41 C ANISOU 179 CE ALYS A 19 3930 1999 2585 -604 212 -74 C ATOM 180 CE BLYS A 19 41.762 29.747 14.430 0.50 16.37 C ANISOU 180 CE BLYS A 19 2511 1817 1893 -112 320 123 C ATOM 181 NZ ALYS A 19 41.312 31.030 13.846 0.50 23.68 N ANISOU 181 NZ ALYS A 19 3331 2220 3448 -66 474 501 N ATOM 182 NZ BLYS A 19 41.695 30.968 13.568 0.50 18.32 N ANISOU 182 NZ BLYS A 19 3400 1944 1616 -859 417 175 N ATOM 0 H ALYS A 19 43.825 24.788 14.456 0.50 16.46 H new ATOM 0 H BLYS A 19 43.777 24.924 14.478 0.50 16.46 H new ATOM 0 HA ALYS A 19 41.145 24.738 14.243 0.50 15.91 H new ATOM 0 HA BLYS A 19 41.101 24.624 14.389 0.50 15.91 H new ATOM 0 HB2ALYS A 19 43.090 26.265 12.844 0.50 16.97 H new ATOM 0 HB2BLYS A 19 42.656 26.238 12.704 0.50 16.97 H new ATOM 0 HB3ALYS A 19 41.592 26.288 12.410 0.50 16.97 H new ATOM 0 HB3BLYS A 19 41.115 26.074 12.532 0.50 16.97 H new ATOM 0 HG2ALYS A 19 41.190 27.007 14.782 0.50 15.42 H new ATOM 0 HG2BLYS A 19 40.650 27.308 14.342 0.50 15.42 H new ATOM 0 HG3ALYS A 19 42.691 27.427 14.734 0.50 15.42 H new ATOM 0 HG3BLYS A 19 42.029 27.017 15.008 0.50 15.42 H new ATOM 0 HD2ALYS A 19 42.263 28.887 12.956 0.50 18.67 H new ATOM 0 HD2BLYS A 19 43.104 28.470 13.572 0.50 18.67 H new ATOM 0 HD3ALYS A 19 40.778 28.415 12.896 0.50 18.67 H new ATOM 0 HD3BLYS A 19 41.814 28.644 12.713 0.50 18.67 H new ATOM 0 HE2ALYS A 19 40.206 29.565 14.733 0.50 16.37 H new ATOM 0 HE2BLYS A 19 40.904 29.603 14.858 0.50 16.37 H new ATOM 0 HE3ALYS A 19 41.671 29.613 15.267 0.50 16.37 H new ATOM 0 HE3BLYS A 19 42.413 29.882 15.137 0.50 16.37 H new ATOM 0 HZ1ALYS A 19 41.320 31.650 14.484 0.50 18.32 H new ATOM 0 HZ1BLYS A 19 41.661 31.693 14.083 0.50 18.32 H new ATOM 0 HZ2ALYS A 19 42.083 31.052 13.401 0.50 18.32 H new ATOM 0 HZ2BLYS A 19 42.418 31.006 13.050 0.50 18.32 H new ATOM 0 HZ3ALYS A 19 40.641 31.192 13.284 0.50 18.32 H new ATOM 0 HZ3BLYS A 19 40.966 30.932 13.058 0.50 18.32 H new ATOM 183 N ASP A 20 40.800 23.087 12.453 1.00 15.99 N ANISOU 183 N ASP A 20 2765 1947 1364 -493 136 -23 N ATOM 184 CA ASP A 20 40.667 22.076 11.431 1.00 16.18 C ANISOU 184 CA ASP A 20 3157 1755 1234 -558 39 86 C ATOM 185 C ASP A 20 40.705 22.705 10.045 1.00 14.81 C ANISOU 185 C ASP A 20 2564 1786 1279 -416 79 89 C ATOM 186 O ASP A 20 40.973 23.917 9.858 1.00 15.74 O ANISOU 186 O ASP A 20 2594 1913 1472 -641 99 162 O ATOM 187 CB ASP A 20 39.406 21.259 11.670 1.00 17.72 C ANISOU 187 CB ASP A 20 3370 1842 1520 -759 -2 261 C ATOM 188 CG ASP A 20 38.082 21.937 11.357 1.00 18.58 C ANISOU 188 CG ASP A 20 3226 2126 1706 -858 -17 411 C ATOM 189 OD1 ASP A 20 37.013 21.307 11.597 1.00 23.60 O ANISOU 189 OD1 ASP A 20 3345 2745 2876 -1182 -388 950 O ATOM 190 OD2 ASP A 20 38.054 23.067 10.854 1.00 17.36 O ANISOU 190 OD2 ASP A 20 3152 1911 1534 -489 374 91 O ATOM 0 H AASP A 20 40.087 23.216 12.915 0.50 15.99 H new ATOM 0 H BASP A 20 40.058 23.301 12.832 0.50 15.99 H new ATOM 0 HA ASP A 20 41.420 21.466 11.479 1.00 16.18 H new ATOM 0 HB2 ASP A 20 39.465 20.450 11.138 1.00 17.72 H new ATOM 0 HB3 ASP A 20 39.394 20.987 12.601 1.00 17.72 H new ATOM 191 N THR A 21 40.438 21.905 9.004 1.00 15.78 N ANISOU 191 N THR A 21 2919 1868 1209 -545 215 54 N ATOM 192 CA THR A 21 40.525 22.373 7.626 1.00 16.56 C ANISOU 192 CA THR A 21 2885 2148 1258 -487 21 191 C ATOM 193 C THR A 21 39.508 23.445 7.298 1.00 16.27 C ANISOU 193 C THR A 21 2866 1856 1460 -657 231 226 C ATOM 194 O THR A 21 39.733 24.171 6.332 1.00 16.80 O ANISOU 194 O THR A 21 2507 2217 1660 -772 -3 403 O ATOM 195 CB THR A 21 40.340 21.199 6.638 1.00 18.12 C ANISOU 195 CB THR A 21 3506 2234 1146 -481 407 102 C ATOM 196 OG1 THR A 21 38.986 20.638 6.654 1.00 21.73 O ANISOU 196 OG1 THR A 21 3823 2507 1927 -969 47 -183 O ATOM 197 CG2 THR A 21 41.189 19.983 6.881 1.00 23.07 C ANISOU 197 CG2 THR A 21 4248 2220 2299 -230 355 54 C ATOM 0 H THR A 21 40.203 21.081 9.083 1.00 15.78 H new ATOM 0 HA THR A 21 41.410 22.760 7.533 1.00 16.56 H new ATOM 0 HB THR A 21 40.584 21.640 5.809 1.00 18.12 H new ATOM 0 HG1 THR A 21 38.598 20.821 5.932 1.00 21.73 H new ATOM 0 HG21 THR A 21 40.994 19.312 6.208 1.00 23.07 H new ATOM 0 HG22 THR A 21 42.126 20.227 6.831 1.00 23.07 H new ATOM 0 HG23 THR A 21 40.995 19.623 7.761 1.00 23.07 H new ATOM 198 N AGLU A 22 38.416 23.526 8.070 0.50 15.31 N ANISOU 198 N AGLU A 22 2515 2272 1029 -603 -237 310 N ATOM 199 N BGLU A 22 38.415 23.535 8.067 0.50 17.82 N ANISOU 199 N BGLU A 22 2851 1901 2020 -738 467 23 N ATOM 200 CA AGLU A 22 37.378 24.523 7.941 0.50 16.81 C ANISOU 200 CA AGLU A 22 2752 2239 1397 -468 47 386 C ATOM 201 CA BGLU A 22 37.426 24.582 7.853 0.50 17.99 C ANISOU 201 CA BGLU A 22 2689 2430 1716 -630 144 116 C ATOM 202 C AGLU A 22 37.623 25.720 8.847 0.50 16.64 C ANISOU 202 C AGLU A 22 2639 2279 1403 -601 339 383 C ATOM 203 C BGLU A 22 37.730 25.798 8.706 0.50 15.75 C ANISOU 203 C BGLU A 22 2379 2107 1498 -229 353 251 C ATOM 204 O AGLU A 22 36.752 26.601 8.879 0.50 17.40 O ANISOU 204 O AGLU A 22 2139 2596 1877 -675 587 -99 O ATOM 205 O BGLU A 22 37.026 26.808 8.604 0.50 22.22 O ANISOU 205 O BGLU A 22 3251 2048 3142 41 209 780 O ATOM 206 CB AGLU A 22 36.000 23.900 8.252 0.50 17.33 C ANISOU 206 CB AGLU A 22 2650 2013 1922 -349 116 90 C ATOM 207 CB BGLU A 22 36.028 23.998 8.136 0.50 18.32 C ANISOU 207 CB BGLU A 22 2862 2290 1810 -609 396 178 C ATOM 208 CG AGLU A 22 35.665 22.788 7.283 0.50 20.63 C ANISOU 208 CG AGLU A 22 3214 2675 1950 -756 275 -255 C ATOM 209 CG BGLU A 22 35.613 23.037 7.038 0.50 22.22 C ANISOU 209 CG BGLU A 22 2623 3045 2773 -651 109 -541 C ATOM 210 CD AGLU A 22 34.920 23.176 6.026 0.50 22.63 C ANISOU 210 CD AGLU A 22 2966 2943 2690 -90 -378 -808 C ATOM 211 CD BGLU A 22 35.534 23.637 5.655 0.50 22.67 C ANISOU 211 CD BGLU A 22 2571 3714 2328 -1441 -161 -916 C ATOM 212 OE1AGLU A 22 35.137 22.504 4.982 0.50 23.82 O ANISOU 212 OE1AGLU A 22 1861 4849 2341 562 -301 -923 O ATOM 213 OE1BGLU A 22 35.088 24.794 5.515 0.50 23.28 O ANISOU 213 OE1BGLU A 22 2839 4390 1615 -750 100 -231 O ATOM 214 OE2AGLU A 22 34.077 24.100 6.057 0.50 29.14 O ANISOU 214 OE2AGLU A 22 4234 3327 3509 696 -24 -628 O ATOM 215 OE2BGLU A 22 35.911 22.976 4.658 0.50 28.81 O ANISOU 215 OE2BGLU A 22 3000 4994 2951 -878 735 -1084 O ATOM 0 H AGLU A 22 38.265 22.970 8.709 0.50 17.82 H new ATOM 0 H BGLU A 22 38.234 22.998 8.714 0.50 17.82 H new ATOM 0 HA AGLU A 22 37.392 24.840 7.024 0.50 17.99 H new ATOM 0 HA BGLU A 22 37.454 24.887 6.933 0.50 17.99 H new ATOM 0 HB2AGLU A 22 35.997 23.553 9.158 0.50 18.32 H new ATOM 0 HB2BGLU A 22 36.032 23.538 8.990 0.50 18.32 H new ATOM 0 HB3AGLU A 22 35.316 24.586 8.208 0.50 18.32 H new ATOM 0 HB3BGLU A 22 35.380 24.717 8.204 0.50 18.32 H new ATOM 0 HG2AGLU A 22 36.493 22.356 7.022 0.50 22.22 H new ATOM 0 HG2BGLU A 22 36.242 22.299 7.019 0.50 22.22 H new ATOM 0 HG3AGLU A 22 35.136 22.126 7.755 0.50 22.22 H new ATOM 0 HG3BGLU A 22 34.746 22.665 7.264 0.50 22.22 H new ATOM 216 N GLY A 23 38.735 25.775 9.561 1.00 16.81 N ANISOU 216 N GLY A 23 2942 1930 1512 -436 55 248 N ATOM 217 CA GLY A 23 39.013 26.901 10.454 1.00 17.72 C ANISOU 217 CA GLY A 23 3275 1845 1613 -394 117 237 C ATOM 218 C GLY A 23 38.377 26.761 11.837 1.00 18.63 C ANISOU 218 C GLY A 23 3570 1804 1704 -645 303 53 C ATOM 219 O GLY A 23 38.390 27.747 12.587 1.00 19.64 O ANISOU 219 O GLY A 23 3682 1779 2002 -502 275 -82 O ATOM 0 H AGLY A 23 39.347 25.171 9.547 0.50 16.81 H new ATOM 0 H BGLY A 23 39.277 25.113 9.646 0.50 16.81 H new ATOM 0 HA2 GLY A 23 39.973 26.993 10.556 1.00 17.72 H new ATOM 0 HA3 GLY A 23 38.692 27.718 10.041 1.00 17.72 H new ATOM 220 N TYR A 24 37.842 25.604 12.200 1.00 16.03 N ANISOU 220 N TYR A 24 2914 1645 1532 -297 235 58 N ATOM 221 CA TYR A 24 37.131 25.387 13.444 1.00 16.13 C ANISOU 221 CA TYR A 24 2809 1691 1630 -219 409 -48 C ATOM 222 C TYR A 24 37.984 24.742 14.533 1.00 16.22 C ANISOU 222 C TYR A 24 2975 1665 1524 -430 276 19 C ATOM 223 O TYR A 24 38.721 23.778 14.274 1.00 16.26 O ANISOU 223 O TYR A 24 3101 1629 1449 -312 258 -7 O ATOM 224 CB TYR A 24 35.878 24.534 13.251 1.00 17.63 C ANISOU 224 CB TYR A 24 2670 2172 1855 -244 315 31 C ATOM 225 CG TYR A 24 34.868 25.150 12.300 1.00 19.85 C ANISOU 225 CG TYR A 24 2869 3024 1649 -147 314 317 C ATOM 226 CD1 TYR A 24 34.241 24.354 11.344 1.00 22.56 C ANISOU 226 CD1 TYR A 24 3100 3844 1628 -17 218 -83 C ATOM 227 CD2 TYR A 24 34.533 26.489 12.331 1.00 23.25 C ANISOU 227 CD2 TYR A 24 3242 3133 2459 141 -244 550 C ATOM 228 CE1 TYR A 24 33.327 24.882 10.467 1.00 27.13 C ANISOU 228 CE1 TYR A 24 3345 5042 1923 102 -81 -26 C ATOM 229 CE2 TYR A 24 33.603 27.021 11.448 1.00 29.17 C ANISOU 229 CE2 TYR A 24 3810 4195 3079 765 -621 522 C ATOM 230 CZ TYR A 24 33.000 26.215 10.515 1.00 31.05 C ANISOU 230 CZ TYR A 24 3898 5148 2750 487 -820 649 C ATOM 231 OH TYR A 24 32.065 26.710 9.619 1.00 37.87 O ANISOU 231 OH TYR A 24 3987 7470 2931 1392 -784 714 O ATOM 0 H TYR A 24 37.886 24.899 11.709 1.00 16.03 H new ATOM 0 HA TYR A 24 36.885 26.279 13.735 1.00 16.13 H new ATOM 0 HB2 TYR A 24 36.138 23.662 12.915 1.00 17.63 H new ATOM 0 HB3 TYR A 24 35.456 24.392 14.113 1.00 17.63 H new ATOM 0 HD1 TYR A 24 34.446 23.448 11.299 1.00 22.56 H new ATOM 0 HD2 TYR A 24 34.938 27.046 12.956 1.00 23.25 H new ATOM 0 HE1 TYR A 24 32.925 24.332 9.834 1.00 27.13 H new ATOM 0 HE2 TYR A 24 33.388 27.925 11.489 1.00 29.17 H new ATOM 0 HH TYR A 24 31.955 27.532 9.754 1.00 37.87 H new ATOM 232 N TYR A 25 37.865 25.233 15.775 1.00 17.04 N ANISOU 232 N TYR A 25 3165 1725 1584 -147 352 36 N ATOM 233 CA TYR A 25 38.651 24.700 16.879 1.00 15.86 C ANISOU 233 CA TYR A 25 2952 1673 1402 -284 401 -99 C ATOM 234 C TYR A 25 38.310 23.236 17.129 1.00 16.32 C ANISOU 234 C TYR A 25 2964 1611 1625 -217 346 -66 C ATOM 235 O TYR A 25 37.102 22.874 17.250 1.00 15.87 O ANISOU 235 O TYR A 25 2868 1566 1596 -141 319 52 O ATOM 236 CB TYR A 25 38.387 25.518 18.145 1.00 17.75 C ANISOU 236 CB TYR A 25 3251 1786 1706 -348 260 -345 C ATOM 237 CG TYR A 25 38.893 26.938 18.060 1.00 18.42 C ANISOU 237 CG TYR A 25 3788 1722 1487 -322 574 -204 C ATOM 238 CD1 TYR A 25 38.052 28.051 18.179 1.00 21.68 C ANISOU 238 CD1 TYR A 25 4335 1783 2119 -65 468 -216 C ATOM 239 CD2 TYR A 25 40.248 27.163 17.891 1.00 19.15 C ANISOU 239 CD2 TYR A 25 3825 1724 1726 -569 326 79 C ATOM 240 CE1 TYR A 25 38.578 29.329 18.099 1.00 23.56 C ANISOU 240 CE1 TYR A 25 4992 1685 2273 -62 -101 -244 C ATOM 241 CE2 TYR A 25 40.773 28.434 17.823 1.00 21.55 C ANISOU 241 CE2 TYR A 25 4331 1786 2073 -812 -183 -185 C ATOM 242 CZ TYR A 25 39.927 29.523 17.922 1.00 24.00 C ANISOU 242 CZ TYR A 25 5108 1578 2431 -644 -375 -31 C ATOM 243 OH TYR A 25 40.453 30.797 17.871 1.00 29.06 O ANISOU 243 OH TYR A 25 6745 1637 2662 -1041 293 103 O ATOM 0 H TYR A 25 37.334 25.874 15.991 1.00 17.04 H new ATOM 0 HA TYR A 25 39.590 24.760 16.645 1.00 15.86 H new ATOM 0 HB2 TYR A 25 37.433 25.532 18.319 1.00 17.75 H new ATOM 0 HB3 TYR A 25 38.807 25.077 18.900 1.00 17.75 H new ATOM 0 HD1 TYR A 25 37.139 27.932 18.312 1.00 21.68 H new ATOM 0 HD2 TYR A 25 40.821 26.434 17.821 1.00 19.15 H new ATOM 0 HE1 TYR A 25 38.012 30.064 18.166 1.00 23.56 H new ATOM 0 HE2 TYR A 25 41.688 28.559 17.712 1.00 21.55 H new ATOM 0 HH TYR A 25 39.984 31.313 18.340 1.00 29.06 H new ATOM 244 N THR A 26 39.363 22.459 17.234 1.00 14.98 N ANISOU 244 N THR A 26 2690 1595 1405 -483 88 -21 N ATOM 245 CA THR A 26 39.399 20.998 17.255 1.00 14.57 C ANISOU 245 CA THR A 26 2655 1537 1344 -471 125 52 C ATOM 246 C THR A 26 40.485 20.563 18.212 1.00 14.31 C ANISOU 246 C THR A 26 2442 1594 1402 -304 283 -131 C ATOM 247 O THR A 26 41.408 21.339 18.485 1.00 15.21 O ANISOU 247 O THR A 26 2571 1688 1519 -396 132 -174 O ATOM 248 CB THR A 26 39.622 20.511 15.803 1.00 14.87 C ANISOU 248 CB THR A 26 2536 1722 1392 -310 273 10 C ATOM 249 OG1 THR A 26 38.508 20.982 14.992 1.00 15.81 O ANISOU 249 OG1 THR A 26 2824 1675 1510 -434 -9 19 O ATOM 250 CG2 THR A 26 39.617 19.015 15.615 1.00 16.26 C ANISOU 250 CG2 THR A 26 2814 1773 1591 -198 228 -94 C ATOM 0 H THR A 26 40.152 22.794 17.302 1.00 14.98 H new ATOM 0 HA THR A 26 38.570 20.605 17.571 1.00 14.57 H new ATOM 0 HB THR A 26 40.497 20.850 15.557 1.00 14.87 H new ATOM 0 HG1 THR A 26 38.616 21.795 14.812 1.00 15.81 H new ATOM 0 HG21 THR A 26 39.763 18.806 14.679 1.00 16.26 H new ATOM 0 HG22 THR A 26 40.324 18.619 16.149 1.00 16.26 H new ATOM 0 HG23 THR A 26 38.761 18.656 15.896 1.00 16.26 H new ATOM 251 N ILE A 27 40.409 19.310 18.659 1.00 14.28 N ANISOU 251 N ILE A 27 2469 1788 1169 -424 107 21 N ATOM 252 CA ILE A 27 41.487 18.717 19.416 1.00 14.69 C ANISOU 252 CA ILE A 27 2546 1869 1166 -305 117 -29 C ATOM 253 C ILE A 27 41.492 17.224 19.180 1.00 14.63 C ANISOU 253 C ILE A 27 2466 1798 1296 -313 264 -48 C ATOM 254 O ILE A 27 40.525 16.649 18.719 1.00 14.90 O ANISOU 254 O ILE A 27 2481 1786 1394 -224 247 -178 O ATOM 255 CB ILE A 27 41.416 19.099 20.909 1.00 14.92 C ANISOU 255 CB ILE A 27 2532 1877 1261 -13 106 -164 C ATOM 256 CG1 ILE A 27 42.742 18.969 21.639 1.00 16.91 C ANISOU 256 CG1 ILE A 27 2853 2172 1401 34 -213 -210 C ATOM 257 CG2 ILE A 27 40.295 18.303 21.570 1.00 17.24 C ANISOU 257 CG2 ILE A 27 2993 2381 1175 -224 443 -41 C ATOM 258 CD1 ILE A 27 42.798 19.649 22.989 1.00 17.86 C ANISOU 258 CD1 ILE A 27 2890 2550 1344 -329 38 -288 C ATOM 0 H ILE A 27 39.735 18.791 18.529 1.00 14.28 H new ATOM 0 HA ILE A 27 42.335 19.071 19.107 1.00 14.69 H new ATOM 0 HB ILE A 27 41.212 20.045 20.969 1.00 14.92 H new ATOM 0 HG12 ILE A 27 42.939 18.027 21.758 1.00 16.91 H new ATOM 0 HG13 ILE A 27 43.442 19.337 21.077 1.00 16.91 H new ATOM 0 HG21 ILE A 27 40.243 18.537 22.510 1.00 17.24 H new ATOM 0 HG22 ILE A 27 39.452 18.511 21.138 1.00 17.24 H new ATOM 0 HG23 ILE A 27 40.477 17.354 21.483 1.00 17.24 H new ATOM 0 HD11 ILE A 27 43.675 19.516 23.382 1.00 17.86 H new ATOM 0 HD12 ILE A 27 42.633 20.599 22.880 1.00 17.86 H new ATOM 0 HD13 ILE A 27 42.122 19.268 23.571 1.00 17.86 H new ATOM 259 N GLY A 28 42.611 16.586 19.554 1.00 15.57 N ANISOU 259 N GLY A 28 2626 1919 1370 -147 203 -150 N ATOM 260 CA GLY A 28 42.675 15.144 19.575 1.00 15.78 C ANISOU 260 CA GLY A 28 2860 1817 1319 -240 -58 -154 C ATOM 261 C GLY A 28 42.738 14.553 18.183 1.00 15.87 C ANISOU 261 C GLY A 28 2773 2026 1231 -487 25 -131 C ATOM 262 O GLY A 28 43.549 14.977 17.369 1.00 17.21 O ANISOU 262 O GLY A 28 2716 2227 1597 -458 286 -297 O ATOM 0 H GLY A 28 43.335 16.981 19.796 1.00 15.57 H new ATOM 0 HA2 GLY A 28 43.455 14.864 20.079 1.00 15.78 H new ATOM 0 HA3 GLY A 28 41.898 14.794 20.038 1.00 15.78 H new ATOM 263 N ILE A 29 41.876 13.578 17.926 1.00 15.63 N ANISOU 263 N ILE A 29 2794 1792 1354 -346 113 -259 N ATOM 264 CA ILE A 29 41.743 12.885 16.642 1.00 14.97 C ANISOU 264 CA ILE A 29 2649 1666 1374 -275 183 -183 C ATOM 265 C ILE A 29 40.466 13.388 15.979 1.00 15.26 C ANISOU 265 C ILE A 29 2847 1866 1085 -204 183 136 C ATOM 266 O ILE A 29 39.412 12.769 15.965 1.00 15.91 O ANISOU 266 O ILE A 29 2723 1710 1613 -155 99 -379 O ATOM 267 CB ILE A 29 41.765 11.354 16.826 1.00 14.83 C ANISOU 267 CB ILE A 29 2611 1668 1356 -51 346 -209 C ATOM 268 CG1 ILE A 29 42.982 10.897 17.638 1.00 16.71 C ANISOU 268 CG1 ILE A 29 2916 1848 1586 -14 150 -52 C ATOM 269 CG2 ILE A 29 41.673 10.675 15.480 1.00 16.03 C ANISOU 269 CG2 ILE A 29 2764 1849 1479 -89 374 -352 C ATOM 270 CD1 ILE A 29 42.984 9.502 18.196 1.00 18.56 C ANISOU 270 CD1 ILE A 29 2720 1957 2376 6 315 320 C ATOM 0 H ILE A 29 41.326 13.286 18.519 1.00 15.63 H new ATOM 0 HA ILE A 29 42.498 13.080 16.065 1.00 14.97 H new ATOM 0 HB ILE A 29 40.989 11.090 17.345 1.00 14.83 H new ATOM 0 HG12 ILE A 29 43.766 10.991 17.074 1.00 16.71 H new ATOM 0 HG13 ILE A 29 43.091 11.512 18.380 1.00 16.71 H new ATOM 0 HG21 ILE A 29 41.687 9.713 15.601 1.00 16.03 H new ATOM 0 HG22 ILE A 29 40.846 10.933 15.043 1.00 16.03 H new ATOM 0 HG23 ILE A 29 42.426 10.942 14.930 1.00 16.03 H new ATOM 0 HD11 ILE A 29 43.809 9.349 18.683 1.00 18.56 H new ATOM 0 HD12 ILE A 29 42.229 9.392 18.795 1.00 18.56 H new ATOM 0 HD13 ILE A 29 42.915 8.863 17.470 1.00 18.56 H new ATOM 271 N GLY A 30 40.548 14.617 15.482 1.00 16.25 N ANISOU 271 N GLY A 30 2934 1930 1311 -131 281 101 N ATOM 272 CA GLY A 30 39.423 15.223 14.833 1.00 15.98 C ANISOU 272 CA GLY A 30 2978 1907 1186 -76 269 120 C ATOM 273 C GLY A 30 38.213 15.488 15.702 1.00 15.40 C ANISOU 273 C GLY A 30 2939 1678 1236 -173 279 159 C ATOM 274 O GLY A 30 37.097 15.451 15.180 1.00 17.04 O ANISOU 274 O GLY A 30 2991 1975 1508 -166 213 -259 O ATOM 0 H GLY A 30 41.253 15.109 15.516 1.00 16.25 H new ATOM 0 HA2 GLY A 30 39.711 16.065 14.447 1.00 15.98 H new ATOM 0 HA3 GLY A 30 39.151 14.652 14.098 1.00 15.98 H new ATOM 275 N HIS A 31 38.384 15.771 16.979 1.00 14.89 N ANISOU 275 N HIS A 31 2662 1709 1288 -97 319 36 N ATOM 276 CA HIS A 31 37.238 16.112 17.844 1.00 14.51 C ANISOU 276 CA HIS A 31 2603 1623 1285 -223 223 -12 C ATOM 277 C HIS A 31 36.912 17.597 17.655 1.00 14.53 C ANISOU 277 C HIS A 31 2571 1575 1376 -242 283 -97 C ATOM 278 O HIS A 31 37.585 18.472 18.204 1.00 14.45 O ANISOU 278 O HIS A 31 2401 1519 1572 -190 199 97 O ATOM 279 CB HIS A 31 37.534 15.808 19.305 1.00 14.67 C ANISOU 279 CB HIS A 31 2616 1682 1277 -30 297 -45 C ATOM 280 CG HIS A 31 36.324 16.126 20.111 1.00 14.81 C ANISOU 280 CG HIS A 31 2685 1532 1411 -50 415 -9 C ATOM 281 ND1 HIS A 31 35.232 15.294 20.194 1.00 15.57 N ANISOU 281 ND1 HIS A 31 2666 1563 1687 -50 430 -35 N ATOM 282 CD2 HIS A 31 35.989 17.226 20.834 1.00 17.21 C ANISOU 282 CD2 HIS A 31 3255 1728 1556 -289 832 -237 C ATOM 283 CE1 HIS A 31 34.297 15.852 20.942 1.00 16.48 C ANISOU 283 CE1 HIS A 31 2796 1876 1591 -40 610 -3 C ATOM 284 NE2 HIS A 31 34.731 17.058 21.353 1.00 17.29 N ANISOU 284 NE2 HIS A 31 3155 1789 1626 11 830 -25 N ATOM 0 H HIS A 31 39.147 15.775 17.376 1.00 14.89 H new ATOM 0 HA HIS A 31 36.474 15.570 17.591 1.00 14.51 H new ATOM 0 HB2 HIS A 31 37.774 14.874 19.413 1.00 14.67 H new ATOM 0 HB3 HIS A 31 38.290 16.333 19.612 1.00 14.67 H new ATOM 0 HD1 HIS A 31 35.167 14.525 19.815 1.00 15.57 H new ATOM 0 HD2 HIS A 31 36.527 17.974 20.957 1.00 17.21 H new ATOM 0 HE1 HIS A 31 33.474 15.473 21.151 1.00 16.48 H new ATOM 0 HE2 HIS A 31 34.302 17.616 21.847 1.00 17.29 H new ATOM 285 N LEU A 32 35.862 17.889 16.923 1.00 14.86 N ANISOU 285 N LEU A 32 2734 1493 1421 -304 167 -56 N ATOM 286 CA LEU A 32 35.383 19.254 16.742 1.00 14.97 C ANISOU 286 CA LEU A 32 2287 1632 1769 -236 266 -99 C ATOM 287 C LEU A 32 34.875 19.790 18.078 1.00 15.60 C ANISOU 287 C LEU A 32 2609 1537 1782 -205 416 2 C ATOM 288 O LEU A 32 33.995 19.162 18.701 1.00 17.96 O ANISOU 288 O LEU A 32 2889 1764 2170 -418 723 -6 O ATOM 289 CB LEU A 32 34.267 19.304 15.701 1.00 16.79 C ANISOU 289 CB LEU A 32 2399 2162 1820 -350 159 133 C ATOM 290 CG LEU A 32 33.604 20.666 15.464 1.00 18.93 C ANISOU 290 CG LEU A 32 2933 2323 1935 -272 -219 339 C ATOM 291 CD1 LEU A 32 34.597 21.689 14.946 1.00 19.32 C ANISOU 291 CD1 LEU A 32 3026 2171 2144 -55 180 376 C ATOM 292 CD2 LEU A 32 32.407 20.494 14.540 1.00 24.17 C ANISOU 292 CD2 LEU A 32 3364 2951 2870 -317 -858 646 C ATOM 0 H LEU A 32 35.395 17.298 16.508 1.00 14.86 H new ATOM 0 HA LEU A 32 36.116 19.805 16.425 1.00 14.97 H new ATOM 0 HB2 LEU A 32 34.627 18.992 14.856 1.00 16.79 H new ATOM 0 HB3 LEU A 32 33.578 18.674 15.966 1.00 16.79 H new ATOM 0 HG LEU A 32 33.284 21.015 16.311 1.00 18.93 H new ATOM 0 HD11 LEU A 32 34.146 22.537 14.807 1.00 19.32 H new ATOM 0 HD12 LEU A 32 35.310 21.805 15.593 1.00 19.32 H new ATOM 0 HD13 LEU A 32 34.971 21.381 14.106 1.00 19.32 H new ATOM 0 HD21 LEU A 32 31.987 21.356 14.390 1.00 24.17 H new ATOM 0 HD22 LEU A 32 32.703 20.127 13.692 1.00 24.17 H new ATOM 0 HD23 LEU A 32 31.767 19.890 14.948 1.00 24.17 H new ATOM 293 N LEU A 33 35.384 20.961 18.489 1.00 14.75 N ANISOU 293 N LEU A 33 2398 1741 1466 -334 360 13 N ATOM 294 CA LEU A 33 34.959 21.573 19.740 1.00 16.82 C ANISOU 294 CA LEU A 33 2999 1573 1819 -129 562 -119 C ATOM 295 C LEU A 33 33.773 22.504 19.532 1.00 18.39 C ANISOU 295 C LEU A 33 3130 1937 1921 85 569 -91 C ATOM 296 O LEU A 33 32.826 22.454 20.329 1.00 19.97 O ANISOU 296 O LEU A 33 3039 2550 1997 134 539 -87 O ATOM 297 CB LEU A 33 36.110 22.296 20.411 1.00 16.71 C ANISOU 297 CB LEU A 33 3162 1465 1720 -145 511 -282 C ATOM 298 CG LEU A 33 37.169 21.350 20.990 1.00 16.57 C ANISOU 298 CG LEU A 33 3133 1428 1736 -213 472 -328 C ATOM 299 CD1 LEU A 33 38.456 22.062 21.277 1.00 17.90 C ANISOU 299 CD1 LEU A 33 3065 1754 1983 -301 534 -413 C ATOM 300 CD2 LEU A 33 36.646 20.620 22.228 1.00 17.32 C ANISOU 300 CD2 LEU A 33 3272 1770 1540 -274 392 -237 C ATOM 0 H LEU A 33 35.974 21.410 18.054 1.00 14.75 H new ATOM 0 HA LEU A 33 34.669 20.860 20.330 1.00 16.82 H new ATOM 0 HB2 LEU A 33 36.531 22.887 19.767 1.00 16.71 H new ATOM 0 HB3 LEU A 33 35.761 22.855 21.123 1.00 16.71 H new ATOM 0 HG LEU A 33 37.358 20.682 20.313 1.00 16.57 H new ATOM 0 HD11 LEU A 33 39.099 21.434 21.641 1.00 17.90 H new ATOM 0 HD12 LEU A 33 38.805 22.443 20.456 1.00 17.90 H new ATOM 0 HD13 LEU A 33 38.298 22.771 21.920 1.00 17.90 H new ATOM 0 HD21 LEU A 33 37.335 20.030 22.572 1.00 17.32 H new ATOM 0 HD22 LEU A 33 36.407 21.268 22.909 1.00 17.32 H new ATOM 0 HD23 LEU A 33 35.864 20.098 21.990 1.00 17.32 H new ATOM 301 N THR A 34 33.829 23.356 18.533 1.00 18.07 N ANISOU 301 N THR A 34 2749 2354 1763 142 199 -11 N ATOM 302 CA THR A 34 32.818 24.390 18.308 1.00 21.11 C ANISOU 302 CA THR A 34 3405 2381 2237 488 588 130 C ATOM 303 C THR A 34 33.061 25.033 16.947 1.00 19.97 C ANISOU 303 C THR A 34 3361 2220 2007 660 492 -28 C ATOM 304 O THR A 34 34.199 24.977 16.509 1.00 21.48 O ANISOU 304 O THR A 34 3416 2439 2307 470 639 -13 O ATOM 305 CB THR A 34 32.839 25.477 19.390 1.00 21.08 C ANISOU 305 CB THR A 34 3509 2583 1917 616 479 190 C ATOM 306 OG1 THR A 34 31.868 26.457 19.140 1.00 24.65 O ANISOU 306 OG1 THR A 34 3847 2699 2819 928 634 23 O ATOM 307 CG2 THR A 34 34.195 26.172 19.449 1.00 24.24 C ANISOU 307 CG2 THR A 34 3719 3146 2347 288 570 -417 C ATOM 0 H THR A 34 34.462 23.358 17.951 1.00 18.07 H new ATOM 0 HA THR A 34 31.948 23.963 18.342 1.00 21.11 H new ATOM 0 HB THR A 34 32.657 25.032 20.233 1.00 21.08 H new ATOM 0 HG1 THR A 34 31.583 26.762 19.869 1.00 24.65 H new ATOM 0 HG21 THR A 34 34.180 26.853 20.140 1.00 24.24 H new ATOM 0 HG22 THR A 34 34.884 25.520 19.652 1.00 24.24 H new ATOM 0 HG23 THR A 34 34.384 26.586 18.592 1.00 24.24 H new ATOM 308 N LYS A 35 32.027 25.615 16.383 1.00 21.97 N ANISOU 308 N LYS A 35 3367 2273 2709 415 312 346 N ATOM 309 CA LYS A 35 32.189 26.422 15.205 1.00 20.76 C ANISOU 309 CA LYS A 35 2928 2459 2501 288 167 312 C ATOM 310 C LYS A 35 32.345 27.917 15.560 1.00 22.26 C ANISOU 310 C LYS A 35 3172 2332 2953 285 356 357 C ATOM 311 O LYS A 35 32.602 28.728 14.657 1.00 24.99 O ANISOU 311 O LYS A 35 3632 2656 3208 454 241 783 O ATOM 312 CB LYS A 35 31.075 26.216 14.171 1.00 26.27 C ANISOU 312 CB LYS A 35 3374 3502 3105 -306 -272 442 C ATOM 313 CG LYS A 35 31.132 24.787 13.614 1.00 24.64 C ANISOU 313 CG LYS A 35 3351 3528 2485 -443 -64 412 C ATOM 314 CD LYS A 35 30.064 24.697 12.539 1.00 33.19 C ANISOU 314 CD LYS A 35 4131 5893 2585 -1389 -360 150 C ATOM 315 CE LYS A 35 30.023 23.318 11.912 1.00 36.86 C ANISOU 315 CE LYS A 35 4735 6363 2906 -1867 -106 -416 C ATOM 316 NZ LYS A 35 29.092 23.273 10.739 1.00 46.41 N ANISOU 316 NZ LYS A 35 3848 10248 3538 -1978 -83 -1967 N ATOM 0 H LYS A 35 31.219 25.554 16.670 1.00 21.97 H new ATOM 0 HA LYS A 35 33.010 26.119 14.787 1.00 20.76 H new ATOM 0 HB2 LYS A 35 30.210 26.377 14.580 1.00 26.27 H new ATOM 0 HB3 LYS A 35 31.171 26.857 13.449 1.00 26.27 H new ATOM 0 HG2 LYS A 35 32.009 24.595 13.246 1.00 24.64 H new ATOM 0 HG3 LYS A 35 30.971 24.137 14.316 1.00 24.64 H new ATOM 0 HD2 LYS A 35 29.198 24.905 12.923 1.00 33.19 H new ATOM 0 HD3 LYS A 35 30.237 25.361 11.853 1.00 33.19 H new ATOM 0 HE2 LYS A 35 30.915 23.064 11.628 1.00 36.86 H new ATOM 0 HE3 LYS A 35 29.741 22.669 12.575 1.00 36.86 H new ATOM 0 HZ1 LYS A 35 29.089 22.453 10.393 1.00 46.41 H new ATOM 0 HZ2 LYS A 35 28.269 23.485 11.004 1.00 46.41 H new ATOM 0 HZ3 LYS A 35 29.363 23.854 10.122 1.00 46.41 H new ATOM 317 N SER A 36 32.245 28.238 16.833 1.00 23.07 N ANISOU 317 N SER A 36 3509 2175 3083 503 594 151 N ATOM 318 CA SER A 36 32.447 29.607 17.309 1.00 26.66 C ANISOU 318 CA SER A 36 4340 2208 3581 470 -55 102 C ATOM 319 C SER A 36 33.878 30.080 17.046 1.00 26.21 C ANISOU 319 C SER A 36 4558 1803 3596 340 24 150 C ATOM 320 O SER A 36 34.856 29.319 17.260 1.00 23.10 O ANISOU 320 O SER A 36 4336 2043 2397 382 363 109 O ATOM 321 CB SER A 36 32.130 29.667 18.823 1.00 28.18 C ANISOU 321 CB SER A 36 4755 2081 3873 987 511 -309 C ATOM 322 OG SER A 36 32.596 30.921 19.290 1.00 30.36 O ANISOU 322 OG SER A 36 5462 2306 3770 582 257 -135 O ATOM 0 H SER A 36 32.058 27.673 17.454 1.00 23.07 H new ATOM 0 HA SER A 36 31.850 30.199 16.825 1.00 26.66 H new ATOM 0 HB2 SER A 36 31.177 29.574 18.979 1.00 28.18 H new ATOM 0 HB3 SER A 36 32.566 28.940 19.295 1.00 28.18 H new ATOM 0 HG SER A 36 32.320 31.049 20.073 1.00 30.36 H new ATOM 323 N PRO A 37 34.078 31.325 16.621 1.00 27.85 N ANISOU 323 N PRO A 37 5223 2052 3306 423 370 385 N ATOM 324 CA PRO A 37 35.423 31.880 16.439 1.00 29.91 C ANISOU 324 CA PRO A 37 5605 2614 3145 -82 417 914 C ATOM 325 C PRO A 37 36.076 32.215 17.774 1.00 26.44 C ANISOU 325 C PRO A 37 4689 2150 3207 420 833 340 C ATOM 326 O PRO A 37 37.209 32.680 17.755 1.00 33.68 O ANISOU 326 O PRO A 37 5981 3287 3529 -1425 1244 -239 O ATOM 327 CB PRO A 37 35.211 33.190 15.660 1.00 34.56 C ANISOU 327 CB PRO A 37 6720 2551 3858 -143 142 1065 C ATOM 328 CG PRO A 37 33.873 33.606 16.211 1.00 37.73 C ANISOU 328 CG PRO A 37 6922 2030 5382 264 66 422 C ATOM 329 CD PRO A 37 33.059 32.336 16.255 1.00 33.47 C ANISOU 329 CD PRO A 37 5963 1964 4791 650 95 688 C ATOM 0 HA PRO A 37 35.998 31.244 15.985 1.00 29.91 H new ATOM 0 HB2 PRO A 37 35.905 33.844 15.838 1.00 34.56 H new ATOM 0 HB3 PRO A 37 35.190 33.052 14.700 1.00 34.56 H new ATOM 0 HG2 PRO A 37 33.963 33.997 17.094 1.00 37.73 H new ATOM 0 HG3 PRO A 37 33.453 34.274 15.647 1.00 37.73 H new ATOM 0 HD2 PRO A 37 32.346 32.385 16.910 1.00 33.47 H new ATOM 0 HD3 PRO A 37 32.645 32.141 15.400 1.00 33.47 H new ATOM 330 N SER A 38 35.395 31.980 18.896 1.00 26.53 N ANISOU 330 N SER A 38 4992 1927 3161 -14 841 264 N ATOM 331 CA SER A 38 35.985 32.290 20.196 1.00 26.39 C ANISOU 331 CA SER A 38 5132 1647 3248 -196 814 113 C ATOM 332 C SER A 38 36.797 31.138 20.775 1.00 24.37 C ANISOU 332 C SER A 38 4771 1820 2670 -142 1098 137 C ATOM 333 O SER A 38 36.330 30.047 21.074 1.00 25.03 O ANISOU 333 O SER A 38 5182 1697 2631 -325 640 -48 O ATOM 334 CB SER A 38 34.880 32.645 21.194 1.00 25.66 C ANISOU 334 CB SER A 38 4852 1881 3019 179 500 356 C ATOM 335 OG SER A 38 35.311 32.606 22.539 1.00 29.54 O ANISOU 335 OG SER A 38 5778 2483 2964 -251 415 177 O ATOM 0 H SER A 38 34.603 31.647 18.926 1.00 26.53 H new ATOM 0 HA SER A 38 36.587 33.037 20.052 1.00 26.39 H new ATOM 0 HB2 SER A 38 34.544 33.533 20.994 1.00 25.66 H new ATOM 0 HB3 SER A 38 34.139 32.029 21.080 1.00 25.66 H new ATOM 0 HG SER A 38 34.671 32.809 23.044 1.00 29.54 H new ATOM 336 N LEU A 39 38.083 31.341 21.001 1.00 25.63 N ANISOU 336 N LEU A 39 4786 2365 2588 -261 1195 155 N ATOM 337 CA LEU A 39 38.901 30.327 21.661 1.00 23.08 C ANISOU 337 CA LEU A 39 4336 1854 2579 -388 1228 -277 C ATOM 338 C LEU A 39 38.389 30.054 23.064 1.00 21.67 C ANISOU 338 C LEU A 39 4141 1895 2198 -669 708 -423 C ATOM 339 O LEU A 39 38.417 28.904 23.525 1.00 20.48 O ANISOU 339 O LEU A 39 3328 2046 2407 -460 533 -146 O ATOM 340 CB LEU A 39 40.361 30.784 21.642 1.00 24.96 C ANISOU 340 CB LEU A 39 4558 2247 2679 -848 1051 -228 C ATOM 341 CG LEU A 39 41.368 29.865 22.346 1.00 26.71 C ANISOU 341 CG LEU A 39 4452 2385 3313 -1056 399 -428 C ATOM 342 CD1 LEU A 39 41.462 28.491 21.670 1.00 23.56 C ANISOU 342 CD1 LEU A 39 4086 2421 2445 -769 594 -210 C ATOM 343 CD2 LEU A 39 42.753 30.492 22.426 1.00 30.46 C ANISOU 343 CD2 LEU A 39 4807 3030 3738 -1644 252 27 C ATOM 0 H LEU A 39 38.506 32.057 20.782 1.00 25.63 H new ATOM 0 HA LEU A 39 38.842 29.484 21.184 1.00 23.08 H new ATOM 0 HB2 LEU A 39 40.636 30.886 20.718 1.00 24.96 H new ATOM 0 HB3 LEU A 39 40.411 31.662 22.052 1.00 24.96 H new ATOM 0 HG LEU A 39 41.033 29.742 23.248 1.00 26.71 H new ATOM 0 HD11 LEU A 39 42.106 27.941 22.142 1.00 23.56 H new ATOM 0 HD12 LEU A 39 40.593 28.060 21.690 1.00 23.56 H new ATOM 0 HD13 LEU A 39 41.746 28.602 20.749 1.00 23.56 H new ATOM 0 HD21 LEU A 39 43.359 29.883 22.876 1.00 30.46 H new ATOM 0 HD22 LEU A 39 43.080 30.670 21.530 1.00 30.46 H new ATOM 0 HD23 LEU A 39 42.704 31.324 22.923 1.00 30.46 H new ATOM 344 N ASN A 40 37.881 31.043 23.758 1.00 22.31 N ANISOU 344 N ASN A 40 4168 2069 2242 -389 722 -434 N ATOM 345 CA ASN A 40 37.332 30.787 25.090 1.00 23.30 C ANISOU 345 CA ASN A 40 4234 2176 2444 -297 863 -500 C ATOM 346 C ASN A 40 36.140 29.843 25.037 1.00 21.90 C ANISOU 346 C ASN A 40 4240 2012 2067 -277 845 -512 C ATOM 347 O ASN A 40 36.001 28.952 25.882 1.00 22.90 O ANISOU 347 O ASN A 40 4236 2202 2264 -137 752 -315 O ATOM 348 CB ASN A 40 37.010 32.152 25.740 1.00 33.35 C ANISOU 348 CB ASN A 40 6507 2522 3641 -1219 2145 -1463 C ATOM 349 CG ASN A 40 38.228 32.767 26.397 1.00 40.70 C ANISOU 349 CG ASN A 40 7331 3895 4238 -2830 2636 -1901 C ATOM 350 OD1 ASN A 40 39.239 32.147 26.731 1.00 48.89 O ANISOU 350 OD1 ASN A 40 7838 5476 5260 -2856 300 -2609 O ATOM 351 ND2 ASN A 40 38.127 34.073 26.596 1.00 53.09 N ANISOU 351 ND2 ASN A 40 9155 4057 6961 -3441 3614 -2810 N ATOM 0 H ASN A 40 37.839 31.860 23.493 1.00 22.31 H new ATOM 0 HA ASN A 40 37.982 30.326 25.643 1.00 23.30 H new ATOM 0 HB2 ASN A 40 36.667 32.758 25.065 1.00 33.35 H new ATOM 0 HB3 ASN A 40 36.310 32.038 26.401 1.00 33.35 H new ATOM 0 HD21 ASN A 40 38.774 34.503 26.964 1.00 53.09 H new ATOM 0 HD22 ASN A 40 37.414 34.491 26.357 1.00 53.09 H new ATOM 352 N ALA A 41 35.298 30.022 23.999 1.00 22.72 N ANISOU 352 N ALA A 41 4312 2211 2108 -370 839 -292 N ATOM 353 CA ALA A 41 34.187 29.082 23.855 1.00 21.96 C ANISOU 353 CA ALA A 41 3534 2110 2700 145 730 -103 C ATOM 354 C ALA A 41 34.698 27.680 23.590 1.00 19.11 C ANISOU 354 C ALA A 41 3302 2102 1859 -43 605 -199 C ATOM 355 O ALA A 41 34.156 26.716 24.145 1.00 18.55 O ANISOU 355 O ALA A 41 2939 2076 2033 -17 562 -171 O ATOM 356 CB ALA A 41 33.216 29.555 22.807 1.00 24.79 C ANISOU 356 CB ALA A 41 4077 2317 3026 186 445 280 C ATOM 0 H ALA A 41 35.351 30.643 23.406 1.00 22.72 H new ATOM 0 HA ALA A 41 33.698 29.047 24.692 1.00 21.96 H new ATOM 0 HB1 ALA A 41 32.489 28.918 22.728 1.00 24.79 H new ATOM 0 HB2 ALA A 41 32.861 30.421 23.062 1.00 24.79 H new ATOM 0 HB3 ALA A 41 33.672 29.632 21.954 1.00 24.79 H new ATOM 357 N ALA A 42 35.736 27.530 22.777 1.00 18.51 N ANISOU 357 N ALA A 42 3278 1873 1882 -65 593 -102 N ATOM 358 CA ALA A 42 36.295 26.218 22.487 1.00 17.43 C ANISOU 358 CA ALA A 42 3207 1854 1561 -155 497 -233 C ATOM 359 C ALA A 42 36.895 25.587 23.751 1.00 16.64 C ANISOU 359 C ALA A 42 2803 1776 1744 -236 365 -247 C ATOM 360 O ALA A 42 36.711 24.413 23.997 1.00 17.85 O ANISOU 360 O ALA A 42 3252 1666 1865 -237 472 -264 O ATOM 361 CB ALA A 42 37.337 26.354 21.373 1.00 19.57 C ANISOU 361 CB ALA A 42 3593 2076 1766 -82 769 -255 C ATOM 0 H ALA A 42 36.134 28.181 22.380 1.00 18.51 H new ATOM 0 HA ALA A 42 35.590 25.624 22.184 1.00 17.43 H new ATOM 0 HB1 ALA A 42 37.714 25.483 21.174 1.00 19.57 H new ATOM 0 HB2 ALA A 42 36.915 26.712 20.577 1.00 19.57 H new ATOM 0 HB3 ALA A 42 38.043 26.953 21.661 1.00 19.57 H new ATOM 362 N LYS A 43 37.586 26.389 24.566 1.00 18.96 N ANISOU 362 N LYS A 43 3798 1873 1534 -411 408 -434 N ATOM 363 CA LYS A 43 38.144 25.905 25.821 1.00 18.82 C ANISOU 363 CA LYS A 43 3339 2183 1629 -216 338 -471 C ATOM 364 C LYS A 43 37.081 25.428 26.780 1.00 17.95 C ANISOU 364 C LYS A 43 3306 1989 1526 -51 323 -381 C ATOM 365 O LYS A 43 37.270 24.406 27.484 1.00 18.72 O ANISOU 365 O LYS A 43 3377 1974 1762 -21 450 -324 O ATOM 366 CB LYS A 43 39.012 27.003 26.439 1.00 19.31 C ANISOU 366 CB LYS A 43 3303 2067 1969 -164 156 -353 C ATOM 367 CG LYS A 43 40.330 27.187 25.741 1.00 19.91 C ANISOU 367 CG LYS A 43 3120 2398 2045 -120 92 -537 C ATOM 368 CD LYS A 43 41.111 28.380 26.261 1.00 24.64 C ANISOU 368 CD LYS A 43 3599 2879 2886 -680 -84 -570 C ATOM 369 CE LYS A 43 42.553 28.316 25.747 1.00 28.08 C ANISOU 369 CE LYS A 43 3394 3685 3590 -783 -300 -562 C ATOM 370 NZ LYS A 43 43.364 29.524 26.082 1.00 44.12 N ANISOU 370 NZ LYS A 43 4148 5034 7579 -1956 -608 -1189 N ATOM 0 H LYS A 43 37.741 27.220 24.405 1.00 18.96 H new ATOM 0 HA LYS A 43 38.694 25.129 25.633 1.00 18.82 H new ATOM 0 HB2 LYS A 43 38.524 27.841 26.420 1.00 19.31 H new ATOM 0 HB3 LYS A 43 39.174 26.791 27.371 1.00 19.31 H new ATOM 0 HG2 LYS A 43 40.864 26.384 25.850 1.00 19.91 H new ATOM 0 HG3 LYS A 43 40.175 27.297 24.790 1.00 19.91 H new ATOM 0 HD2 LYS A 43 40.691 29.205 25.970 1.00 24.64 H new ATOM 0 HD3 LYS A 43 41.104 28.385 27.231 1.00 24.64 H new ATOM 0 HE2 LYS A 43 42.986 27.532 26.119 1.00 28.08 H new ATOM 0 HE3 LYS A 43 42.540 28.202 24.784 1.00 28.08 H new ATOM 0 HZ1 LYS A 43 44.188 29.428 25.759 1.00 44.12 H new ATOM 0 HZ2 LYS A 43 42.986 30.245 25.721 1.00 44.12 H new ATOM 0 HZ3 LYS A 43 43.402 29.620 26.966 1.00 44.12 H new ATOM 371 N SER A 44 35.949 26.139 26.810 1.00 19.95 N ANISOU 371 N SER A 44 3782 1816 1983 218 864 -215 N ATOM 372 CA ASER A 44 34.837 25.703 27.638 0.70 19.07 C ANISOU 372 CA ASER A 44 3594 1760 1893 97 667 -354 C ATOM 373 CA BSER A 44 34.815 25.719 27.631 0.30 19.15 C ANISOU 373 CA BSER A 44 3732 1637 1908 246 880 -515 C ATOM 374 C SER A 44 34.245 24.386 27.150 1.00 18.38 C ANISOU 374 C SER A 44 3697 1558 1730 292 563 -255 C ATOM 375 O SER A 44 34.011 23.483 27.962 1.00 18.33 O ANISOU 375 O SER A 44 3175 1943 1847 123 583 -37 O ATOM 376 CB ASER A 44 33.732 26.762 27.655 0.70 20.65 C ANISOU 376 CB ASER A 44 3502 1539 2805 -44 715 -604 C ATOM 377 CB BSER A 44 33.725 26.790 27.633 0.30 20.70 C ANISOU 377 CB BSER A 44 3640 1567 2657 178 740 -421 C ATOM 378 OG ASER A 44 32.768 26.359 28.606 0.70 27.15 O ANISOU 378 OG ASER A 44 4709 2832 2775 1051 1598 125 O ATOM 379 OG BSER A 44 34.110 27.950 28.356 0.30 22.69 O ANISOU 379 OG BSER A 44 3350 1451 3818 -306 1791 -747 O ATOM 0 H ASER A 44 35.812 26.862 26.365 0.70 19.95 H new ATOM 0 H BSER A 44 35.821 26.863 26.364 0.30 19.95 H new ATOM 0 HA ASER A 44 35.188 25.573 28.533 0.70 19.15 H new ATOM 0 HA BSER A 44 35.137 25.599 28.538 0.30 19.15 H new ATOM 0 HB2ASER A 44 34.096 27.631 27.886 0.70 20.70 H new ATOM 0 HB2BSER A 44 33.515 27.036 26.719 0.30 20.70 H new ATOM 0 HB3ASER A 44 33.329 26.848 26.777 0.70 20.70 H new ATOM 0 HB3BSER A 44 32.915 26.423 28.021 0.30 20.70 H new ATOM 0 HG ASER A 44 32.149 26.926 28.636 0.70 22.69 H new ATOM 0 HG BSER A 44 34.527 28.472 27.847 0.30 22.69 H new ATOM 380 N GLU A 45 34.027 24.245 25.849 1.00 17.87 N ANISOU 380 N GLU A 45 3292 1699 1797 75 527 -186 N ATOM 381 CA GLU A 45 33.603 22.970 25.314 1.00 16.91 C ANISOU 381 CA GLU A 45 2853 1745 1829 281 459 -359 C ATOM 382 C GLU A 45 34.574 21.849 25.686 1.00 16.65 C ANISOU 382 C GLU A 45 2720 1749 1857 171 428 -178 C ATOM 383 O GLU A 45 34.165 20.729 26.034 1.00 17.64 O ANISOU 383 O GLU A 45 2907 1864 1932 78 413 -82 O ATOM 384 CB GLU A 45 33.454 23.037 23.792 1.00 16.04 C ANISOU 384 CB GLU A 45 2355 1980 1759 70 540 -163 C ATOM 385 CG GLU A 45 32.271 23.872 23.304 1.00 17.97 C ANISOU 385 CG GLU A 45 2584 2012 2231 175 395 -123 C ATOM 386 CD GLU A 45 30.948 23.379 23.824 1.00 20.40 C ANISOU 386 CD GLU A 45 2469 2102 3181 521 628 447 C ATOM 387 OE1 GLU A 45 30.560 22.200 23.684 1.00 22.14 O ANISOU 387 OE1 GLU A 45 2836 2341 3237 63 890 157 O ATOM 388 OE2 GLU A 45 30.260 24.138 24.529 1.00 33.27 O ANISOU 388 OE2 GLU A 45 3329 2337 6976 475 2253 -329 O ATOM 0 H GLU A 45 34.119 24.872 25.267 1.00 17.87 H new ATOM 0 HA GLU A 45 32.740 22.770 25.710 1.00 16.91 H new ATOM 0 HB2 GLU A 45 34.270 23.402 23.415 1.00 16.04 H new ATOM 0 HB3 GLU A 45 33.362 22.135 23.448 1.00 16.04 H new ATOM 0 HG2 GLU A 45 32.397 24.794 23.578 1.00 17.97 H new ATOM 0 HG3 GLU A 45 32.255 23.864 22.334 1.00 17.97 H new ATOM 389 N LEU A 46 35.855 22.099 25.572 1.00 16.63 N ANISOU 389 N LEU A 46 2770 1744 1803 62 340 -243 N ATOM 390 CA LEU A 46 36.865 21.067 25.895 1.00 16.18 C ANISOU 390 CA LEU A 46 2623 1926 1600 34 429 -170 C ATOM 391 C LEU A 46 36.757 20.619 27.354 1.00 16.02 C ANISOU 391 C LEU A 46 2701 1837 1549 -43 285 -294 C ATOM 392 O LEU A 46 36.754 19.423 27.677 1.00 17.01 O ANISOU 392 O LEU A 46 3021 1868 1574 -79 302 -283 O ATOM 393 CB LEU A 46 38.284 21.587 25.644 1.00 16.43 C ANISOU 393 CB LEU A 46 2702 2086 1455 -210 97 -276 C ATOM 394 CG LEU A 46 39.423 20.635 25.961 1.00 16.16 C ANISOU 394 CG LEU A 46 2578 2198 1363 -164 169 -292 C ATOM 395 CD1 LEU A 46 39.320 19.335 25.182 1.00 17.69 C ANISOU 395 CD1 LEU A 46 2883 2338 1502 -44 255 -501 C ATOM 396 CD2 LEU A 46 40.762 21.301 25.723 1.00 18.99 C ANISOU 396 CD2 LEU A 46 2733 2863 1620 -476 306 -255 C ATOM 0 H LEU A 46 36.180 22.851 25.312 1.00 16.63 H new ATOM 0 HA LEU A 46 36.689 20.310 25.314 1.00 16.18 H new ATOM 0 HB2 LEU A 46 38.353 21.842 24.711 1.00 16.43 H new ATOM 0 HB3 LEU A 46 38.408 22.394 26.168 1.00 16.43 H new ATOM 0 HG LEU A 46 39.352 20.409 26.902 1.00 16.16 H new ATOM 0 HD11 LEU A 46 40.065 18.759 25.414 1.00 17.69 H new ATOM 0 HD12 LEU A 46 38.487 18.890 25.403 1.00 17.69 H new ATOM 0 HD13 LEU A 46 39.343 19.525 24.231 1.00 17.69 H new ATOM 0 HD21 LEU A 46 41.475 20.677 25.931 1.00 18.99 H new ATOM 0 HD22 LEU A 46 40.829 21.570 24.794 1.00 18.99 H new ATOM 0 HD23 LEU A 46 40.841 22.083 26.292 1.00 18.99 H new ATOM 397 N ASP A 47 36.708 21.590 28.272 1.00 16.92 N ANISOU 397 N ASP A 47 2927 1884 1618 -240 330 -340 N ATOM 398 CA ASP A 47 36.662 21.220 29.680 1.00 19.31 C ANISOU 398 CA ASP A 47 3611 2196 1528 -324 488 -532 C ATOM 399 C ASP A 47 35.413 20.419 30.014 1.00 18.74 C ANISOU 399 C ASP A 47 3590 1934 1597 -158 668 -455 C ATOM 400 O ASP A 47 35.450 19.486 30.812 1.00 19.41 O ANISOU 400 O ASP A 47 3571 2273 1532 -211 364 -317 O ATOM 401 CB ASP A 47 36.670 22.528 30.509 1.00 20.37 C ANISOU 401 CB ASP A 47 4032 1924 1782 -304 654 -436 C ATOM 402 CG ASP A 47 37.958 23.292 30.446 1.00 25.01 C ANISOU 402 CG ASP A 47 4630 3035 1839 -1196 856 -838 C ATOM 403 OD1 ASP A 47 38.969 22.786 29.906 1.00 23.12 O ANISOU 403 OD1 ASP A 47 3848 2917 2019 -813 105 -228 O ATOM 404 OD2 ASP A 47 38.019 24.441 30.950 1.00 31.52 O ANISOU 404 OD2 ASP A 47 4932 3822 3221 -1545 743 -1915 O ATOM 0 H ASP A 47 36.701 22.434 28.106 1.00 16.92 H new ATOM 0 HA ASP A 47 37.428 20.662 29.887 1.00 19.31 H new ATOM 0 HB2 ASP A 47 35.951 23.100 30.197 1.00 20.37 H new ATOM 0 HB3 ASP A 47 36.479 22.312 31.435 1.00 20.37 H new ATOM 405 N LYS A 48 34.285 20.757 29.407 1.00 18.31 N ANISOU 405 N LYS A 48 3575 1691 1690 -216 626 -381 N ATOM 406 CA LYS A 48 33.017 20.034 29.543 1.00 18.92 C ANISOU 406 CA LYS A 48 3364 1618 2208 0 994 -317 C ATOM 407 C LYS A 48 33.175 18.616 29.029 1.00 16.30 C ANISOU 407 C LYS A 48 2768 1643 1781 104 526 -304 C ATOM 408 O LYS A 48 32.690 17.658 29.616 1.00 16.02 O ANISOU 408 O LYS A 48 2900 1655 1531 104 209 -214 O ATOM 409 CB LYS A 48 31.882 20.830 28.844 1.00 20.37 C ANISOU 409 CB LYS A 48 3387 1358 2993 117 1111 -165 C ATOM 410 CG LYS A 48 30.518 20.176 28.720 1.00 20.24 C ANISOU 410 CG LYS A 48 3462 1752 2478 108 734 -237 C ATOM 411 CD LYS A 48 29.434 21.099 28.204 1.00 21.19 C ANISOU 411 CD LYS A 48 3668 1664 2721 364 963 -27 C ATOM 412 CE LYS A 48 29.699 21.753 26.879 1.00 23.99 C ANISOU 412 CE LYS A 48 3739 2735 2640 -510 406 253 C ATOM 413 NZ LYS A 48 29.173 21.005 25.742 1.00 22.87 N ANISOU 413 NZ LYS A 48 3283 2564 2842 -236 546 -38 N ATOM 0 H LYS A 48 34.229 21.438 28.884 1.00 18.31 H new ATOM 0 HA LYS A 48 32.765 19.959 30.477 1.00 18.92 H new ATOM 0 HB2 LYS A 48 31.767 21.665 29.323 1.00 20.37 H new ATOM 0 HB3 LYS A 48 32.185 21.055 27.950 1.00 20.37 H new ATOM 0 HG2 LYS A 48 30.589 19.412 28.126 1.00 20.24 H new ATOM 0 HG3 LYS A 48 30.253 19.836 29.589 1.00 20.24 H new ATOM 0 HD2 LYS A 48 28.609 20.593 28.135 1.00 21.19 H new ATOM 0 HD3 LYS A 48 29.286 21.795 28.864 1.00 21.19 H new ATOM 0 HE2 LYS A 48 29.308 22.641 26.881 1.00 23.99 H new ATOM 0 HE3 LYS A 48 30.656 21.865 26.768 1.00 23.99 H new ATOM 0 HZ1 LYS A 48 29.548 21.302 24.992 1.00 22.87 H new ATOM 0 HZ2 LYS A 48 29.358 20.140 25.844 1.00 22.87 H new ATOM 0 HZ3 LYS A 48 28.291 21.116 25.696 1.00 22.87 H new ATOM 414 N ALA A 49 33.812 18.483 27.869 1.00 16.56 N ANISOU 414 N ALA A 49 2770 1658 1862 187 551 -302 N ATOM 415 CA ALA A 49 33.976 17.184 27.222 1.00 15.31 C ANISOU 415 CA ALA A 49 2737 1690 1392 190 282 -268 C ATOM 416 C ALA A 49 34.874 16.235 28.040 1.00 15.34 C ANISOU 416 C ALA A 49 2828 1587 1412 94 203 -334 C ATOM 417 O ALA A 49 34.618 15.032 28.068 1.00 15.60 O ANISOU 417 O ALA A 49 2724 1615 1587 44 144 -247 O ATOM 418 CB ALA A 49 34.570 17.361 25.853 1.00 17.95 C ANISOU 418 CB ALA A 49 3565 1953 1301 52 296 -240 C ATOM 0 H ALA A 49 34.160 19.140 27.436 1.00 16.56 H new ATOM 0 HA ALA A 49 33.094 16.785 27.158 1.00 15.31 H new ATOM 0 HB1 ALA A 49 34.675 16.494 25.431 1.00 17.95 H new ATOM 0 HB2 ALA A 49 33.982 17.913 25.314 1.00 17.95 H new ATOM 0 HB3 ALA A 49 35.436 17.790 25.929 1.00 17.95 H new ATOM 419 N ILE A 50 35.909 16.766 28.676 1.00 15.70 N ANISOU 419 N ILE A 50 2722 1623 1622 16 142 -224 N ATOM 420 CA ILE A 50 36.900 15.966 29.403 1.00 16.25 C ANISOU 420 CA ILE A 50 2665 1824 1686 169 310 -227 C ATOM 421 C ILE A 50 36.555 15.836 30.865 1.00 16.28 C ANISOU 421 C ILE A 50 2759 1816 1610 -93 196 -201 C ATOM 422 O ILE A 50 36.956 14.869 31.515 1.00 19.25 O ANISOU 422 O ILE A 50 3295 2142 1876 133 284 119 O ATOM 423 CB ILE A 50 38.325 16.563 29.222 1.00 18.80 C ANISOU 423 CB ILE A 50 2654 2797 1694 -31 222 -82 C ATOM 424 CG1 ILE A 50 38.709 16.636 27.732 1.00 20.24 C ANISOU 424 CG1 ILE A 50 2618 3365 1707 -67 151 123 C ATOM 425 CG2 ILE A 50 39.360 15.827 30.050 1.00 19.74 C ANISOU 425 CG2 ILE A 50 2941 2758 1800 -187 -139 -67 C ATOM 426 CD1 ILE A 50 38.839 15.283 27.106 1.00 25.13 C ANISOU 426 CD1 ILE A 50 3239 4341 1969 158 -324 -943 C ATOM 0 H ILE A 50 36.062 17.612 28.701 1.00 15.70 H new ATOM 0 HA ILE A 50 36.888 15.073 29.024 1.00 16.25 H new ATOM 0 HB ILE A 50 38.307 17.472 29.559 1.00 18.80 H new ATOM 0 HG12 ILE A 50 38.038 17.147 27.253 1.00 20.24 H new ATOM 0 HG13 ILE A 50 39.548 17.113 27.641 1.00 20.24 H new ATOM 0 HG21 ILE A 50 40.232 16.228 29.910 1.00 19.74 H new ATOM 0 HG22 ILE A 50 39.125 15.886 30.989 1.00 19.74 H new ATOM 0 HG23 ILE A 50 39.386 14.895 29.782 1.00 19.74 H new ATOM 0 HD11 ILE A 50 39.081 15.380 26.172 1.00 25.13 H new ATOM 0 HD12 ILE A 50 39.527 14.778 27.567 1.00 25.13 H new ATOM 0 HD13 ILE A 50 37.993 14.813 27.173 1.00 25.13 H new ATOM 427 N GLY A 51 35.828 16.807 31.432 1.00 17.94 N ANISOU 427 N GLY A 51 3230 2112 1474 115 259 -295 N ATOM 428 CA GLY A 51 35.449 16.815 32.828 1.00 19.26 C ANISOU 428 CA GLY A 51 3379 2282 1658 -263 689 -226 C ATOM 429 C GLY A 51 36.509 17.354 33.753 1.00 23.61 C ANISOU 429 C GLY A 51 4543 3015 1414 -923 487 -255 C ATOM 430 O GLY A 51 36.534 17.015 34.941 1.00 27.16 O ANISOU 430 O GLY A 51 5115 3573 1632 -893 292 55 O ATOM 0 H GLY A 51 35.540 17.490 30.996 1.00 17.94 H new ATOM 0 HA2 GLY A 51 34.644 17.346 32.931 1.00 19.26 H new ATOM 0 HA3 GLY A 51 35.228 15.910 33.098 1.00 19.26 H new ATOM 431 N ARG A 52 37.411 18.210 33.282 1.00 21.49 N ANISOU 431 N ARG A 52 3763 2753 1651 -539 289 -348 N ATOM 432 CA ARG A 52 38.347 18.958 34.099 1.00 24.50 C ANISOU 432 CA ARG A 52 4252 3477 1582 -843 -199 -49 C ATOM 433 C ARG A 52 38.735 20.241 33.377 1.00 23.13 C ANISOU 433 C ARG A 52 3788 3479 1520 -1015 20 -198 C ATOM 434 O ARG A 52 38.424 20.351 32.180 1.00 21.01 O ANISOU 434 O ARG A 52 3425 2912 1647 -637 -29 -134 O ATOM 435 CB ARG A 52 39.569 18.107 34.423 1.00 24.92 C ANISOU 435 CB ARG A 52 4018 3639 1813 -926 26 50 C ATOM 436 CG ARG A 52 40.381 17.756 33.201 1.00 24.67 C ANISOU 436 CG ARG A 52 4659 2980 1735 -812 24 -294 C ATOM 437 CD ARG A 52 41.539 16.781 33.495 1.00 26.67 C ANISOU 437 CD ARG A 52 4534 3862 1737 -553 -214 -302 C ATOM 438 NE ARG A 52 42.353 16.653 32.279 1.00 25.80 N ANISOU 438 NE ARG A 52 4849 3321 1631 -245 -190 -85 N ATOM 439 CZ ARG A 52 43.316 17.400 31.821 1.00 23.97 C ANISOU 439 CZ ARG A 52 4759 2893 1456 -159 -185 -278 C ATOM 440 NH1 ARG A 52 43.749 18.495 32.449 1.00 31.85 N ANISOU 440 NH1 ARG A 52 6478 3917 1707 -1185 46 -825 N ATOM 441 NH2 ARG A 52 43.941 17.130 30.661 1.00 26.21 N ANISOU 441 NH2 ARG A 52 3592 4295 2071 -141 -266 -1079 N ATOM 0 H ARG A 52 37.494 18.374 32.442 1.00 21.49 H new ATOM 0 HA ARG A 52 37.927 19.194 34.941 1.00 24.50 H new ATOM 0 HB2 ARG A 52 40.131 18.584 35.053 1.00 24.92 H new ATOM 0 HB3 ARG A 52 39.282 17.290 34.860 1.00 24.92 H new ATOM 0 HG2 ARG A 52 39.797 17.362 32.535 1.00 24.67 H new ATOM 0 HG3 ARG A 52 40.742 18.570 32.816 1.00 24.67 H new ATOM 0 HD2 ARG A 52 42.079 17.110 34.230 1.00 26.67 H new ATOM 0 HD3 ARG A 52 41.192 15.915 33.763 1.00 26.67 H new ATOM 0 HE ARG A 52 42.162 15.973 31.789 1.00 25.80 H new ATOM 0 HH11 ARG A 52 43.389 18.736 33.192 1.00 31.85 H new ATOM 0 HH12 ARG A 52 44.389 18.960 32.111 1.00 31.85 H new ATOM 0 HH21 ARG A 52 43.708 16.445 30.196 1.00 26.21 H new ATOM 0 HH22 ARG A 52 44.574 17.642 30.384 1.00 26.21 H new ATOM 442 N AASN A 53 39.433 21.116 34.077 0.50 22.45 N ANISOU 442 N AASN A 53 3619 3363 1548 -592 303 -683 N ATOM 443 N BASN A 53 39.353 21.212 34.096 0.50 24.96 N ANISOU 443 N BASN A 53 4116 3711 1655 -1050 213 -588 N ATOM 444 CA AASN A 53 39.943 22.353 33.489 0.50 21.86 C ANISOU 444 CA AASN A 53 3343 3212 1752 -616 -76 -692 C ATOM 445 CA BASN A 53 39.994 22.291 33.374 0.50 25.46 C ANISOU 445 CA BASN A 53 4171 3629 1874 -1184 383 -780 C ATOM 446 C AASN A 53 41.268 22.095 32.761 0.50 21.64 C ANISOU 446 C AASN A 53 3243 3263 1718 -911 -108 -752 C ATOM 447 C BASN A 53 41.325 21.803 32.747 0.50 23.94 C ANISOU 447 C BASN A 53 3937 3543 1616 -1209 74 -785 C ATOM 448 O AASN A 53 42.319 22.018 33.426 0.50 21.12 O ANISOU 448 O AASN A 53 3248 2434 2343 -879 -276 -254 O ATOM 449 O BASN A 53 42.219 21.392 33.466 0.50 24.00 O ANISOU 449 O BASN A 53 4302 2968 1847 -1233 -275 -921 O ATOM 450 CB AASN A 53 40.146 23.413 34.570 0.50 27.49 C ANISOU 450 CB AASN A 53 4829 3567 2049 -842 239 -1076 C ATOM 451 CB BASN A 53 40.248 23.494 34.248 0.50 29.94 C ANISOU 451 CB BASN A 53 4527 3693 3155 -956 218 -1339 C ATOM 452 CG AASN A 53 38.820 23.964 35.062 0.50 30.09 C ANISOU 452 CG AASN A 53 5270 3917 2246 -74 51 -1236 C ATOM 453 CG BASN A 53 40.899 24.656 33.466 0.50 35.07 C ANISOU 453 CG BASN A 53 5303 4778 3244 -2669 454 -1821 C ATOM 454 OD1AASN A 53 37.826 24.020 34.333 0.50 35.37 O ANISOU 454 OD1AASN A 53 5745 4470 3224 791 -601 -1965 O ATOM 455 OD1BASN A 53 41.298 24.551 32.255 0.50 47.91 O ANISOU 455 OD1BASN A 53 7054 5029 6121 -3365 4733 -3393 O ATOM 456 ND2AASN A 53 38.768 24.387 36.312 0.50 34.42 N ANISOU 456 ND2AASN A 53 5155 5524 2399 -1015 591 -1667 N ATOM 457 ND2BASN A 53 41.011 25.820 34.070 0.50 59.25 N ANISOU 457 ND2BASN A 53 11685 5564 5264 -4991 5258 -3107 N ATOM 0 H AASN A 53 39.628 21.015 34.908 0.50 24.96 H new ATOM 0 H BASN A 53 39.402 21.249 34.954 0.50 24.96 H new ATOM 0 HA AASN A 53 39.290 22.676 32.849 0.50 25.46 H new ATOM 0 HA BASN A 53 39.384 22.565 32.671 0.50 25.46 H new ATOM 0 HB2AASN A 53 40.635 23.029 35.315 0.50 29.94 H new ATOM 0 HB2BASN A 53 39.410 23.795 34.633 0.50 29.94 H new ATOM 0 HB3AASN A 53 40.688 24.136 34.218 0.50 29.94 H new ATOM 0 HB3BASN A 53 40.824 23.240 34.986 0.50 29.94 H new ATOM 0 HD21AASN A 53 38.035 24.707 36.628 0.50 59.25 H new ATOM 0 HD21BASN A 53 41.347 26.491 33.651 0.50 59.25 H new ATOM 0 HD22AASN A 53 39.467 24.343 36.810 0.50 59.25 H new ATOM 0 HD22BASN A 53 40.748 25.909 34.884 0.50 59.25 H new ATOM 458 N CYS A 54 41.236 21.918 31.447 1.00 24.08 N ANISOU 458 N CYS A 54 4067 3411 1673 -776 134 -646 N ATOM 459 CA CYS A 54 42.307 21.441 30.596 1.00 24.63 C ANISOU 459 CA CYS A 54 3766 3879 1713 -1161 253 -584 C ATOM 460 C CYS A 54 43.249 22.525 30.105 1.00 28.33 C ANISOU 460 C CYS A 54 4359 4335 2072 -1943 108 -824 C ATOM 461 O CYS A 54 44.353 22.183 29.656 1.00 28.91 O ANISOU 461 O CYS A 54 4336 4932 1716 -1978 236 -461 O ATOM 462 CB CYS A 54 41.714 20.743 29.331 1.00 19.99 C ANISOU 462 CB CYS A 54 2874 2674 2046 -455 258 -689 C ATOM 463 SG CYS A 54 40.798 19.256 29.705 1.00 22.12 S ANISOU 463 SG CYS A 54 3457 3004 1945 -646 142 -288 S ATOM 0 H ACYS A 54 40.525 22.090 30.995 0.50 24.08 H new ATOM 0 H BCYS A 54 40.569 22.267 31.032 0.50 24.08 H new ATOM 0 HA CYS A 54 42.816 20.832 31.154 1.00 24.63 H new ATOM 0 HB2 CYS A 54 41.131 21.366 28.869 1.00 19.99 H new ATOM 0 HB3 CYS A 54 42.436 20.525 28.721 1.00 19.99 H new ATOM 0 HG CYS A 54 39.977 19.493 30.548 1.00 22.12 H new ATOM 464 N ASN A 55 42.809 23.774 30.188 1.00 29.50 N ANISOU 464 N ASN A 55 5362 4143 1705 -2243 733 -1109 N ATOM 465 CA ASN A 55 43.504 24.891 29.561 1.00 34.61 C ANISOU 465 CA ASN A 55 6692 4275 2185 -2793 1339 -1397 C ATOM 466 C ASN A 55 44.003 24.618 28.144 1.00 29.32 C ANISOU 466 C ASN A 55 5416 3540 2185 -2164 1102 -1168 C ATOM 467 O ASN A 55 45.127 24.996 27.760 1.00 33.79 O ANISOU 467 O ASN A 55 5616 4556 2667 -2694 1113 -1254 O ATOM 468 CB ASN A 55 44.680 25.329 30.431 1.00 45.98 C ANISOU 468 CB ASN A 55 8285 6305 2880 -4819 1144 -2322 C ATOM 469 CG ASN A 55 45.217 26.704 30.133 1.00 54.21 C ANISOU 469 CG ASN A 55 9960 5912 4725 -5099 3132 -3626 C ATOM 470 OD1 ASN A 55 44.462 27.633 29.831 1.00 76.73 O ANISOU 470 OD1 ASN A 55 14004 4829 10320 -3518 2864 -4431 O ATOM 471 ND2 ASN A 55 46.544 26.862 30.225 1.00 73.93 N ANISOU 471 ND2 ASN A 55 11187 10754 6148 -8568 -453 -2044 N ATOM 0 H ASN A 55 42.095 23.999 30.612 1.00 29.50 H new ATOM 0 HA ASN A 55 42.841 25.595 29.484 1.00 34.61 H new ATOM 0 HB2 ASN A 55 44.406 25.299 31.361 1.00 45.98 H new ATOM 0 HB3 ASN A 55 45.399 24.686 30.326 1.00 45.98 H new ATOM 0 HD21 ASN A 55 46.897 27.631 30.071 1.00 73.93 H new ATOM 0 HD22 ASN A 55 47.043 26.194 30.438 1.00 73.93 H new ATOM 472 N GLY A 56 43.144 23.994 27.352 1.00 25.45 N ANISOU 472 N GLY A 56 4747 2902 2019 -1329 852 -908 N ATOM 473 CA GLY A 56 43.445 23.805 25.933 1.00 21.75 C ANISOU 473 CA GLY A 56 4178 2271 1815 -630 571 -324 C ATOM 474 C GLY A 56 44.364 22.646 25.560 1.00 20.76 C ANISOU 474 C GLY A 56 3853 2338 1697 -595 117 -477 C ATOM 475 O GLY A 56 44.771 22.579 24.397 1.00 21.08 O ANISOU 475 O GLY A 56 3925 2446 1639 -596 188 -378 O ATOM 0 H GLY A 56 42.388 23.674 27.608 1.00 25.45 H new ATOM 0 HA2 GLY A 56 42.606 23.686 25.462 1.00 21.75 H new ATOM 0 HA3 GLY A 56 43.844 24.624 25.599 1.00 21.75 H new ATOM 476 N VAL A 57 44.681 21.791 26.522 1.00 20.04 N ANISOU 476 N VAL A 57 3272 2785 1558 -630 36 -436 N ATOM 477 CA VAL A 57 45.625 20.718 26.395 1.00 21.10 C ANISOU 477 CA VAL A 57 3055 2887 2075 -637 151 129 C ATOM 478 C VAL A 57 45.085 19.421 27.000 1.00 21.50 C ANISOU 478 C VAL A 57 3845 2819 1504 -1052 18 -181 C ATOM 479 O VAL A 57 44.545 19.441 28.097 1.00 20.94 O ANISOU 479 O VAL A 57 3695 2645 1617 -652 115 -104 O ATOM 480 CB VAL A 57 47.006 21.063 27.011 1.00 29.03 C ANISOU 480 CB VAL A 57 3217 3465 4349 -981 -494 711 C ATOM 481 CG1 VAL A 57 47.951 19.895 26.734 1.00 33.47 C ANISOU 481 CG1 VAL A 57 3252 3544 5922 -685 -973 994 C ATOM 482 CG2 VAL A 57 47.540 22.340 26.420 1.00 28.17 C ANISOU 482 CG2 VAL A 57 2974 3410 4320 -767 -246 619 C ATOM 0 H VAL A 57 44.327 21.831 27.305 1.00 20.04 H new ATOM 0 HA VAL A 57 45.755 20.586 25.443 1.00 21.10 H new ATOM 0 HB VAL A 57 46.924 21.199 27.968 1.00 29.03 H new ATOM 0 HG11 VAL A 57 48.824 20.088 27.111 1.00 33.47 H new ATOM 0 HG12 VAL A 57 47.596 19.088 27.139 1.00 33.47 H new ATOM 0 HG13 VAL A 57 48.034 19.766 25.776 1.00 33.47 H new ATOM 0 HG21 VAL A 57 48.403 22.543 26.814 1.00 28.17 H new ATOM 0 HG22 VAL A 57 47.639 22.236 25.461 1.00 28.17 H new ATOM 0 HG23 VAL A 57 46.922 23.065 26.604 1.00 28.17 H new ATOM 483 N ILE A 58 45.187 18.317 26.278 1.00 19.43 N ANISOU 483 N ILE A 58 3107 2720 1556 -295 67 -20 N ATOM 484 CA ILE A 58 44.744 17.022 26.783 1.00 18.85 C ANISOU 484 CA ILE A 58 3026 2583 1551 -212 -193 -41 C ATOM 485 C ILE A 58 45.849 15.972 26.621 1.00 19.41 C ANISOU 485 C ILE A 58 2910 2760 1704 -195 -135 -134 C ATOM 486 O ILE A 58 46.884 16.199 25.956 1.00 21.56 O ANISOU 486 O ILE A 58 2803 3453 1935 -342 -228 33 O ATOM 487 CB ILE A 58 43.457 16.547 26.093 1.00 18.21 C ANISOU 487 CB ILE A 58 3019 2448 1451 -72 -251 -174 C ATOM 488 CG1 ILE A 58 43.627 16.333 24.576 1.00 19.60 C ANISOU 488 CG1 ILE A 58 3291 2565 1592 -447 -122 -146 C ATOM 489 CG2 ILE A 58 42.310 17.484 26.421 1.00 20.40 C ANISOU 489 CG2 ILE A 58 3061 2424 2266 -50 -186 -285 C ATOM 490 CD1 ILE A 58 42.404 15.748 23.903 1.00 18.28 C ANISOU 490 CD1 ILE A 58 3053 2558 1335 38 -267 -101 C ATOM 0 H ILE A 58 45.514 18.294 25.483 1.00 19.43 H new ATOM 0 HA ILE A 58 44.549 17.134 27.727 1.00 18.85 H new ATOM 0 HB ILE A 58 43.243 15.670 26.448 1.00 18.21 H new ATOM 0 HG12 ILE A 58 43.840 17.183 24.160 1.00 19.60 H new ATOM 0 HG13 ILE A 58 44.383 15.745 24.423 1.00 19.60 H new ATOM 0 HG21 ILE A 58 41.503 17.175 25.980 1.00 20.40 H new ATOM 0 HG22 ILE A 58 42.168 17.499 27.381 1.00 20.40 H new ATOM 0 HG23 ILE A 58 42.524 18.378 26.112 1.00 20.40 H new ATOM 0 HD11 ILE A 58 42.577 15.639 22.955 1.00 18.28 H new ATOM 0 HD12 ILE A 58 42.201 14.884 24.295 1.00 18.28 H new ATOM 0 HD13 ILE A 58 41.649 16.345 24.027 1.00 18.28 H new ATOM 491 N THR A 59 45.615 14.793 27.213 1.00 20.18 N ANISOU 491 N THR A 59 2902 2854 1911 23 -313 92 N ATOM 492 CA THR A 59 46.550 13.688 27.082 1.00 20.74 C ANISOU 492 CA THR A 59 3003 3017 1862 169 -616 -30 C ATOM 493 C THR A 59 46.114 12.804 25.924 1.00 19.58 C ANISOU 493 C THR A 59 2567 3216 1656 -141 -3 -57 C ATOM 494 O THR A 59 45.019 12.840 25.418 1.00 19.35 O ANISOU 494 O THR A 59 2918 2456 1978 -182 -410 78 O ATOM 495 CB THR A 59 46.595 12.840 28.384 1.00 23.37 C ANISOU 495 CB THR A 59 3625 3223 2032 -41 -990 195 C ATOM 496 OG1 THR A 59 45.334 12.187 28.535 1.00 22.48 O ANISOU 496 OG1 THR A 59 3427 3233 1882 255 -393 132 O ATOM 497 CG2 THR A 59 46.909 13.718 29.596 1.00 26.78 C ANISOU 497 CG2 THR A 59 3994 4256 1924 184 -1040 -191 C ATOM 0 H THR A 59 44.921 14.621 27.691 1.00 20.18 H new ATOM 0 HA THR A 59 47.436 14.048 26.919 1.00 20.74 H new ATOM 0 HB THR A 59 47.301 12.178 28.323 1.00 23.37 H new ATOM 0 HG1 THR A 59 45.274 11.870 29.311 1.00 22.48 H new ATOM 0 HG21 THR A 59 46.932 13.170 30.396 1.00 26.78 H new ATOM 0 HG22 THR A 59 47.771 14.145 29.472 1.00 26.78 H new ATOM 0 HG23 THR A 59 46.223 14.397 29.690 1.00 26.78 H new ATOM 498 N LYS A 60 47.002 11.904 25.493 1.00 21.70 N ANISOU 498 N LYS A 60 2758 3370 2119 -116 102 -283 N ATOM 499 CA LYS A 60 46.650 10.955 24.438 1.00 20.34 C ANISOU 499 CA LYS A 60 2928 2830 1972 17 -85 31 C ATOM 500 C LYS A 60 45.511 10.065 24.873 1.00 18.58 C ANISOU 500 C LYS A 60 2926 2247 1886 354 -183 289 C ATOM 501 O LYS A 60 44.658 9.771 24.047 1.00 18.71 O ANISOU 501 O LYS A 60 2730 2681 1700 244 14 68 O ATOM 502 CB LYS A 60 47.909 10.158 24.058 1.00 22.03 C ANISOU 502 CB LYS A 60 3179 2708 2483 71 253 119 C ATOM 503 CG LYS A 60 47.673 9.151 22.927 1.00 23.73 C ANISOU 503 CG LYS A 60 2785 3397 2832 61 172 -362 C ATOM 504 CD LYS A 60 48.994 8.512 22.511 1.00 29.49 C ANISOU 504 CD LYS A 60 3376 4139 3692 666 500 -629 C ATOM 505 CE LYS A 60 49.011 7.536 21.381 1.00 32.58 C ANISOU 505 CE LYS A 60 3661 3939 4780 24 1047 -1133 C ATOM 506 NZ LYS A 60 50.253 6.703 21.449 1.00 51.08 N ANISOU 506 NZ LYS A 60 3884 5345 10179 809 2344 -2244 N ATOM 0 H LYS A 60 47.804 11.828 25.795 1.00 21.70 H new ATOM 0 HA LYS A 60 46.336 11.428 23.652 1.00 20.34 H new ATOM 0 HB2 LYS A 60 48.607 10.776 23.791 1.00 22.03 H new ATOM 0 HB3 LYS A 60 48.233 9.685 24.841 1.00 22.03 H new ATOM 0 HG2 LYS A 60 47.052 8.466 23.219 1.00 23.73 H new ATOM 0 HG3 LYS A 60 47.267 9.597 22.167 1.00 23.73 H new ATOM 0 HD2 LYS A 60 49.606 9.230 22.285 1.00 29.49 H new ATOM 0 HD3 LYS A 60 49.358 8.063 23.290 1.00 29.49 H new ATOM 0 HE2 LYS A 60 48.227 6.966 21.423 1.00 32.58 H new ATOM 0 HE3 LYS A 60 48.974 8.008 20.534 1.00 32.58 H new ATOM 0 HZ1 LYS A 60 50.259 6.123 20.774 1.00 51.08 H new ATOM 0 HZ2 LYS A 60 50.968 7.230 21.393 1.00 51.08 H new ATOM 0 HZ3 LYS A 60 50.272 6.260 22.221 1.00 51.08 H new ATOM 507 N ASP A 61 45.502 9.578 26.116 1.00 20.41 N ANISOU 507 N ASP A 61 3097 2730 1929 355 -187 326 N ATOM 508 CA ASP A 61 44.401 8.740 26.544 1.00 20.62 C ANISOU 508 CA ASP A 61 3348 2337 2150 528 261 450 C ATOM 509 C ASP A 61 43.091 9.515 26.448 1.00 17.63 C ANISOU 509 C ASP A 61 3170 2021 1507 268 -32 -23 C ATOM 510 O ASP A 61 42.062 8.947 26.015 1.00 18.89 O ANISOU 510 O ASP A 61 3444 2108 1626 29 -238 186 O ATOM 511 CB ASP A 61 44.555 8.286 28.002 1.00 25.40 C ANISOU 511 CB ASP A 61 3811 3329 2513 33 -439 1056 C ATOM 512 CG ASP A 61 45.623 7.276 28.293 1.00 28.77 C ANISOU 512 CG ASP A 61 4014 3767 3149 339 -930 877 C ATOM 513 OD1 ASP A 61 45.869 6.972 29.484 1.00 34.85 O ANISOU 513 OD1 ASP A 61 5071 4507 3662 82 -1116 1793 O ATOM 514 OD2 ASP A 61 46.242 6.782 27.317 1.00 38.38 O ANISOU 514 OD2 ASP A 61 5341 4945 4298 1341 -31 614 O ATOM 0 H ASP A 61 46.110 9.720 26.707 1.00 20.41 H new ATOM 0 HA ASP A 61 44.399 7.963 25.963 1.00 20.62 H new ATOM 0 HB2 ASP A 61 44.727 9.071 28.545 1.00 25.40 H new ATOM 0 HB3 ASP A 61 43.706 7.919 28.294 1.00 25.40 H new ATOM 515 N GLU A 62 43.129 10.777 26.842 1.00 17.74 N ANISOU 515 N GLU A 62 3009 2105 1625 230 -129 3 N ATOM 516 CA GLU A 62 41.919 11.594 26.703 1.00 16.75 C ANISOU 516 CA GLU A 62 2788 2097 1481 213 75 57 C ATOM 517 C GLU A 62 41.482 11.781 25.270 1.00 15.90 C ANISOU 517 C GLU A 62 2754 1767 1521 132 44 19 C ATOM 518 O GLU A 62 40.285 11.727 24.934 1.00 16.86 O ANISOU 518 O GLU A 62 2735 2035 1637 -63 20 20 O ATOM 519 CB GLU A 62 42.176 12.955 27.377 1.00 16.67 C ANISOU 519 CB GLU A 62 2623 2278 1432 229 32 -78 C ATOM 520 CG GLU A 62 42.159 12.859 28.903 1.00 18.09 C ANISOU 520 CG GLU A 62 2821 2631 1421 10 -38 11 C ATOM 521 CD GLU A 62 42.643 14.085 29.628 1.00 21.07 C ANISOU 521 CD GLU A 62 3459 3080 1468 -404 -298 -39 C ATOM 522 OE1 GLU A 62 43.275 14.981 29.040 1.00 21.18 O ANISOU 522 OE1 GLU A 62 3365 2760 1923 -253 -74 -178 O ATOM 523 OE2 GLU A 62 42.378 14.156 30.861 1.00 22.48 O ANISOU 523 OE2 GLU A 62 3905 3036 1599 -99 -51 -245 O ATOM 0 H GLU A 62 43.813 11.174 27.180 1.00 17.74 H new ATOM 0 HA GLU A 62 41.188 11.126 27.136 1.00 16.75 H new ATOM 0 HB2 GLU A 62 43.034 13.301 27.086 1.00 16.67 H new ATOM 0 HB3 GLU A 62 41.502 13.590 27.087 1.00 16.67 H new ATOM 0 HG2 GLU A 62 41.253 12.668 29.191 1.00 18.09 H new ATOM 0 HG3 GLU A 62 42.707 12.105 29.171 1.00 18.09 H new ATOM 524 N ALA A 63 42.447 12.026 24.403 1.00 16.08 N ANISOU 524 N ALA A 63 2646 2070 1393 77 -110 52 N ATOM 525 CA ALA A 63 42.152 12.100 22.957 1.00 16.81 C ANISOU 525 CA ALA A 63 2851 2106 1428 -134 -10 -35 C ATOM 526 C ALA A 63 41.483 10.834 22.429 1.00 14.85 C ANISOU 526 C ALA A 63 2555 1924 1163 83 79 119 C ATOM 527 O ALA A 63 40.529 10.850 21.661 1.00 15.65 O ANISOU 527 O ALA A 63 2742 1794 1409 35 -149 187 O ATOM 528 CB ALA A 63 43.425 12.428 22.172 1.00 18.12 C ANISOU 528 CB ALA A 63 2829 2398 1659 -222 76 144 C ATOM 0 H ALA A 63 43.271 12.153 24.613 1.00 16.08 H new ATOM 0 HA ALA A 63 41.513 12.818 22.828 1.00 16.81 H new ATOM 0 HB1 ALA A 63 43.219 12.474 21.225 1.00 18.12 H new ATOM 0 HB2 ALA A 63 43.777 13.282 22.468 1.00 18.12 H new ATOM 0 HB3 ALA A 63 44.087 11.736 22.325 1.00 18.12 H new ATOM 529 N GLU A 64 42.045 9.694 22.832 1.00 16.01 N ANISOU 529 N GLU A 64 2495 2012 1575 284 96 83 N ATOM 530 CA GLU A 64 41.525 8.399 22.382 1.00 16.87 C ANISOU 530 CA GLU A 64 2959 1901 1548 139 274 110 C ATOM 531 C GLU A 64 40.121 8.175 22.936 1.00 15.22 C ANISOU 531 C GLU A 64 2864 1721 1197 189 27 39 C ATOM 532 O GLU A 64 39.283 7.562 22.280 1.00 16.34 O ANISOU 532 O GLU A 64 2896 1792 1522 197 132 -246 O ATOM 533 CB GLU A 64 42.498 7.292 22.746 1.00 17.59 C ANISOU 533 CB GLU A 64 2949 2047 1688 213 211 -19 C ATOM 534 CG GLU A 64 43.738 7.320 21.895 1.00 18.88 C ANISOU 534 CG GLU A 64 3025 2147 2002 117 402 -27 C ATOM 535 CD GLU A 64 44.823 6.366 22.312 1.00 21.15 C ANISOU 535 CD GLU A 64 3032 1989 3015 161 410 87 C ATOM 536 OE1 GLU A 64 44.896 5.925 23.491 1.00 26.99 O ANISOU 536 OE1 GLU A 64 3615 3032 3607 760 472 995 O ATOM 537 OE2 GLU A 64 45.688 6.092 21.459 1.00 26.90 O ANISOU 537 OE2 GLU A 64 3020 4035 3165 666 150 -479 O ATOM 0 H GLU A 64 42.722 9.647 23.361 1.00 16.01 H new ATOM 0 HA GLU A 64 41.445 8.391 21.415 1.00 16.87 H new ATOM 0 HB2 GLU A 64 42.747 7.377 23.680 1.00 17.59 H new ATOM 0 HB3 GLU A 64 42.059 6.433 22.646 1.00 17.59 H new ATOM 0 HG2 GLU A 64 43.488 7.123 20.979 1.00 18.88 H new ATOM 0 HG3 GLU A 64 44.098 8.221 21.903 1.00 18.88 H new ATOM 538 N LYS A 65 39.841 8.666 24.143 1.00 16.14 N ANISOU 538 N LYS A 65 2889 1986 1257 -89 179 22 N ATOM 539 CA LYS A 65 38.510 8.528 24.714 1.00 15.64 C ANISOU 539 CA LYS A 65 2941 1723 1277 43 168 135 C ATOM 540 C LYS A 65 37.492 9.317 23.921 1.00 14.92 C ANISOU 540 C LYS A 65 2943 1613 1113 17 146 -8 C ATOM 541 O LYS A 65 36.418 8.778 23.546 1.00 15.50 O ANISOU 541 O LYS A 65 2877 1607 1403 117 207 -20 O ATOM 542 CB LYS A 65 38.490 8.916 26.202 1.00 16.96 C ANISOU 542 CB LYS A 65 2659 2501 1283 447 64 -36 C ATOM 543 CG LYS A 65 37.160 8.632 26.845 1.00 19.42 C ANISOU 543 CG LYS A 65 2843 2778 1758 415 368 -195 C ATOM 544 CD LYS A 65 37.152 8.819 28.339 1.00 21.51 C ANISOU 544 CD LYS A 65 3220 3304 1650 627 501 -77 C ATOM 545 CE LYS A 65 35.872 8.210 28.954 1.00 24.10 C ANISOU 545 CE LYS A 65 2682 4358 2115 759 534 -299 C ATOM 546 NZ LYS A 65 35.953 8.234 30.414 1.00 25.78 N ANISOU 546 NZ LYS A 65 3960 3690 2144 692 660 761 N ATOM 0 H LYS A 65 40.406 9.079 24.642 1.00 16.14 H new ATOM 0 HA LYS A 65 38.263 7.591 24.659 1.00 15.64 H new ATOM 0 HB2 LYS A 65 39.185 8.428 26.671 1.00 16.96 H new ATOM 0 HB3 LYS A 65 38.696 9.860 26.291 1.00 16.96 H new ATOM 0 HG2 LYS A 65 36.490 9.213 26.452 1.00 19.42 H new ATOM 0 HG3 LYS A 65 36.900 7.720 26.641 1.00 19.42 H new ATOM 0 HD2 LYS A 65 37.935 8.399 28.727 1.00 21.51 H new ATOM 0 HD3 LYS A 65 37.202 9.764 28.552 1.00 21.51 H new ATOM 0 HE2 LYS A 65 35.094 8.708 28.658 1.00 24.10 H new ATOM 0 HE3 LYS A 65 35.759 7.298 28.645 1.00 24.10 H new ATOM 0 HZ1 LYS A 65 35.179 7.963 30.759 1.00 25.78 H new ATOM 0 HZ2 LYS A 65 36.604 7.691 30.684 1.00 25.78 H new ATOM 0 HZ3 LYS A 65 36.125 9.063 30.688 1.00 25.78 H new ATOM 547 N LEU A 66 37.791 10.565 23.602 1.00 15.19 N ANISOU 547 N LEU A 66 2935 1666 1170 40 41 13 N ATOM 548 CA LEU A 66 36.900 11.345 22.764 1.00 15.35 C ANISOU 548 CA LEU A 66 2937 1615 1280 172 15 -94 C ATOM 549 C LEU A 66 36.697 10.682 21.397 1.00 15.13 C ANISOU 549 C LEU A 66 2820 1737 1191 66 119 -71 C ATOM 550 O LEU A 66 35.605 10.651 20.843 1.00 15.75 O ANISOU 550 O LEU A 66 2863 1713 1411 22 16 -155 O ATOM 551 CB LEU A 66 37.432 12.756 22.534 1.00 16.09 C ANISOU 551 CB LEU A 66 3047 1615 1450 147 -87 -80 C ATOM 552 CG LEU A 66 37.460 13.648 23.784 1.00 16.80 C ANISOU 552 CG LEU A 66 2898 1887 1598 -142 -226 -215 C ATOM 553 CD1 LEU A 66 37.923 15.030 23.322 1.00 23.09 C ANISOU 553 CD1 LEU A 66 4992 1751 2032 -404 -532 -119 C ATOM 554 CD2 LEU A 66 36.145 13.717 24.544 1.00 21.62 C ANISOU 554 CD2 LEU A 66 3084 2975 2157 361 3 -999 C ATOM 0 H LEU A 66 38.501 10.977 23.859 1.00 15.19 H new ATOM 0 HA LEU A 66 36.055 11.391 23.237 1.00 15.35 H new ATOM 0 HB2 LEU A 66 38.332 12.694 22.177 1.00 16.09 H new ATOM 0 HB3 LEU A 66 36.887 13.187 21.857 1.00 16.09 H new ATOM 0 HG LEU A 66 38.070 13.261 24.431 1.00 16.80 H new ATOM 0 HD11 LEU A 66 37.956 15.631 24.082 1.00 23.09 H new ATOM 0 HD12 LEU A 66 38.806 14.960 22.927 1.00 23.09 H new ATOM 0 HD13 LEU A 66 37.301 15.376 22.663 1.00 23.09 H new ATOM 0 HD21 LEU A 66 36.247 14.297 25.315 1.00 21.62 H new ATOM 0 HD22 LEU A 66 35.453 14.070 23.963 1.00 21.62 H new ATOM 0 HD23 LEU A 66 35.895 12.828 24.840 1.00 21.62 H new ATOM 555 N PHE A 67 37.776 10.106 20.845 1.00 15.29 N ANISOU 555 N PHE A 67 2863 1802 1144 39 150 -59 N ATOM 556 CA PHE A 67 37.710 9.422 19.564 1.00 14.90 C ANISOU 556 CA PHE A 67 2753 1674 1233 149 126 -74 C ATOM 557 C PHE A 67 36.769 8.212 19.613 1.00 15.71 C ANISOU 557 C PHE A 67 2942 1754 1273 33 208 -150 C ATOM 558 O PHE A 67 35.940 8.037 18.698 1.00 16.31 O ANISOU 558 O PHE A 67 2749 2171 1277 -108 316 -289 O ATOM 559 CB PHE A 67 39.121 9.041 19.144 1.00 15.56 C ANISOU 559 CB PHE A 67 2728 1896 1288 126 35 -142 C ATOM 560 CG PHE A 67 39.291 8.457 17.745 1.00 15.03 C ANISOU 560 CG PHE A 67 2723 1746 1243 1 305 44 C ATOM 561 CD1 PHE A 67 40.181 7.431 17.534 1.00 15.24 C ANISOU 561 CD1 PHE A 67 2915 1469 1406 -45 -37 -144 C ATOM 562 CD2 PHE A 67 38.596 8.976 16.649 1.00 16.25 C ANISOU 562 CD2 PHE A 67 2895 1995 1285 180 0 -180 C ATOM 563 CE1 PHE A 67 40.399 6.968 16.234 1.00 16.33 C ANISOU 563 CE1 PHE A 67 2869 1786 1549 51 50 -270 C ATOM 564 CE2 PHE A 67 38.783 8.480 15.388 1.00 16.36 C ANISOU 564 CE2 PHE A 67 3134 1746 1334 11 62 -108 C ATOM 565 CZ PHE A 67 39.683 7.459 15.180 1.00 15.54 C ANISOU 565 CZ PHE A 67 3213 1406 1286 -188 206 -29 C ATOM 0 H PHE A 67 38.556 10.106 21.207 1.00 15.29 H new ATOM 0 HA PHE A 67 37.334 10.018 18.897 1.00 14.90 H new ATOM 0 HB2 PHE A 67 39.680 9.831 19.211 1.00 15.56 H new ATOM 0 HB3 PHE A 67 39.463 8.397 19.784 1.00 15.56 H new ATOM 0 HD1 PHE A 67 40.634 7.048 18.250 1.00 15.24 H new ATOM 0 HD2 PHE A 67 37.994 9.673 16.780 1.00 16.25 H new ATOM 0 HE1 PHE A 67 41.043 6.314 16.084 1.00 16.33 H new ATOM 0 HE2 PHE A 67 38.303 8.832 14.673 1.00 16.36 H new ATOM 0 HZ PHE A 67 39.802 7.106 14.328 1.00 15.54 H new ATOM 566 N ASN A 68 36.896 7.389 20.653 1.00 15.89 N ANISOU 566 N ASN A 68 2895 1729 1413 120 438 -61 N ATOM 567 CA ASN A 68 35.962 6.257 20.793 1.00 16.88 C ANISOU 567 CA ASN A 68 3141 1472 1801 161 391 -176 C ATOM 568 C ASN A 68 34.535 6.762 20.811 1.00 15.36 C ANISOU 568 C ASN A 68 2960 1658 1216 -56 380 -177 C ATOM 569 O ASN A 68 33.614 6.205 20.181 1.00 17.38 O ANISOU 569 O ASN A 68 3261 1695 1649 -115 249 -401 O ATOM 570 CB ASN A 68 36.293 5.465 22.072 1.00 18.71 C ANISOU 570 CB ASN A 68 3401 1440 2267 119 172 143 C ATOM 571 CG ASN A 68 37.514 4.601 22.075 1.00 22.47 C ANISOU 571 CG ASN A 68 4049 1954 2536 786 0 -225 C ATOM 572 OD1 ASN A 68 37.781 3.969 21.079 1.00 27.55 O ANISOU 572 OD1 ASN A 68 5018 2779 2668 747 1182 -178 O ATOM 573 ND2 ASN A 68 38.347 4.339 23.056 1.00 27.35 N ANISOU 573 ND2 ASN A 68 3977 2663 3753 349 -744 236 N ATOM 0 H ASN A 68 37.491 7.458 21.270 1.00 15.89 H new ATOM 0 HA ASN A 68 36.058 5.661 20.034 1.00 16.88 H new ATOM 0 HB2 ASN A 68 36.379 6.101 22.800 1.00 18.71 H new ATOM 0 HB3 ASN A 68 35.531 4.901 22.276 1.00 18.71 H new ATOM 0 HD21 ASN A 68 38.985 3.775 22.939 1.00 27.35 H new ATOM 0 HD22 ASN A 68 38.254 4.732 23.815 1.00 27.35 H new ATOM 574 N GLN A 69 34.286 7.838 21.606 1.00 15.33 N ANISOU 574 N GLN A 69 2762 1522 1542 -30 408 -177 N ATOM 575 CA GLN A 69 32.926 8.366 21.649 1.00 15.59 C ANISOU 575 CA GLN A 69 2791 1900 1233 -18 406 -160 C ATOM 576 C GLN A 69 32.427 8.878 20.298 1.00 15.65 C ANISOU 576 C GLN A 69 3005 1615 1328 -253 87 -168 C ATOM 577 O GLN A 69 31.281 8.677 19.898 1.00 16.90 O ANISOU 577 O GLN A 69 2915 1796 1712 -120 110 -283 O ATOM 578 CB GLN A 69 32.825 9.463 22.705 1.00 14.60 C ANISOU 578 CB GLN A 69 2807 1541 1198 85 154 -49 C ATOM 579 CG GLN A 69 33.070 8.992 24.106 1.00 14.12 C ANISOU 579 CG GLN A 69 2502 1610 1251 152 163 -61 C ATOM 580 CD GLN A 69 33.095 9.993 25.210 1.00 14.02 C ANISOU 580 CD GLN A 69 2459 1695 1172 208 120 -28 C ATOM 581 OE1 GLN A 69 33.069 9.640 26.393 1.00 15.99 O ANISOU 581 OE1 GLN A 69 2943 1862 1271 413 269 -1 O ATOM 582 NE2 GLN A 69 33.154 11.275 24.865 1.00 15.64 N ANISOU 582 NE2 GLN A 69 2909 1578 1455 260 302 -94 N ATOM 0 H GLN A 69 34.864 8.245 22.095 1.00 15.33 H new ATOM 0 HA GLN A 69 32.348 7.624 21.886 1.00 15.59 H new ATOM 0 HB2 GLN A 69 33.464 10.162 22.493 1.00 14.60 H new ATOM 0 HB3 GLN A 69 31.942 9.862 22.659 1.00 14.60 H new ATOM 0 HG2 GLN A 69 32.386 8.338 24.319 1.00 14.12 H new ATOM 0 HG3 GLN A 69 33.921 8.526 24.114 1.00 14.12 H new ATOM 0 HE21 GLN A 69 33.171 11.496 24.034 1.00 15.64 H new ATOM 0 HE22 GLN A 69 33.175 11.883 25.473 1.00 15.64 H new ATOM 583 N ASP A 70 33.328 9.559 19.579 1.00 15.11 N ANISOU 583 N ASP A 70 3090 1332 1320 -151 17 -67 N ATOM 584 CA ASP A 70 32.945 10.191 18.322 1.00 14.41 C ANISOU 584 CA ASP A 70 2589 1547 1340 -81 -133 -109 C ATOM 585 C ASP A 70 32.706 9.159 17.218 1.00 15.51 C ANISOU 585 C ASP A 70 2953 1567 1375 -175 -47 -102 C ATOM 586 O ASP A 70 31.824 9.347 16.387 1.00 18.12 O ANISOU 586 O ASP A 70 3559 1814 1511 -167 -535 -160 O ATOM 587 CB ASP A 70 34.034 11.183 17.912 1.00 15.49 C ANISOU 587 CB ASP A 70 2983 1606 1295 -226 42 -53 C ATOM 588 CG ASP A 70 34.138 12.403 18.801 1.00 15.76 C ANISOU 588 CG ASP A 70 3138 1391 1459 -198 300 -9 C ATOM 589 OD1 ASP A 70 33.237 12.672 19.609 1.00 16.13 O ANISOU 589 OD1 ASP A 70 2900 1722 1508 -68 102 -135 O ATOM 590 OD2 ASP A 70 35.162 13.111 18.688 1.00 16.79 O ANISOU 590 OD2 ASP A 70 3010 1478 1891 -158 329 -193 O ATOM 0 H ASP A 70 34.152 9.663 19.802 1.00 15.11 H new ATOM 0 HA ASP A 70 32.107 10.661 18.453 1.00 14.41 H new ATOM 0 HB2 ASP A 70 34.889 10.725 17.910 1.00 15.49 H new ATOM 0 HB3 ASP A 70 33.865 11.473 17.002 1.00 15.49 H new ATOM 591 N VAL A 71 33.513 8.103 17.201 1.00 15.87 N ANISOU 591 N VAL A 71 2879 1587 1562 -179 233 -170 N ATOM 592 CA VAL A 71 33.269 7.038 16.199 1.00 15.68 C ANISOU 592 CA VAL A 71 3111 1436 1412 -261 151 -16 C ATOM 593 C VAL A 71 31.920 6.406 16.477 1.00 15.86 C ANISOU 593 C VAL A 71 3013 1628 1383 -218 97 -52 C ATOM 594 O VAL A 71 31.079 6.188 15.578 1.00 17.73 O ANISOU 594 O VAL A 71 3343 1851 1542 -314 -110 -36 O ATOM 595 CB VAL A 71 34.395 5.988 16.193 1.00 16.22 C ANISOU 595 CB VAL A 71 3106 1467 1588 -217 301 -118 C ATOM 596 CG1 VAL A 71 34.031 4.772 15.346 1.00 18.31 C ANISOU 596 CG1 VAL A 71 3647 1592 1718 -254 185 -250 C ATOM 597 CG2 VAL A 71 35.707 6.606 15.688 1.00 17.02 C ANISOU 597 CG2 VAL A 71 3109 1819 1537 -193 260 84 C ATOM 0 H VAL A 71 34.180 7.975 17.729 1.00 15.87 H new ATOM 0 HA VAL A 71 33.263 7.432 15.313 1.00 15.68 H new ATOM 0 HB VAL A 71 34.515 5.689 17.108 1.00 16.22 H new ATOM 0 HG11 VAL A 71 34.761 4.134 15.365 1.00 18.31 H new ATOM 0 HG12 VAL A 71 33.230 4.357 15.702 1.00 18.31 H new ATOM 0 HG13 VAL A 71 33.870 5.051 14.431 1.00 18.31 H new ATOM 0 HG21 VAL A 71 36.405 5.932 15.691 1.00 17.02 H new ATOM 0 HG22 VAL A 71 35.582 6.938 14.785 1.00 17.02 H new ATOM 0 HG23 VAL A 71 35.964 7.339 16.269 1.00 17.02 H new ATOM 598 N ALA A 72 31.664 6.067 17.737 1.00 16.11 N ANISOU 598 N ALA A 72 2929 1737 1455 -146 188 -37 N ATOM 599 CA ALA A 72 30.378 5.482 18.105 1.00 17.44 C ANISOU 599 CA ALA A 72 3016 2087 1524 -338 274 -168 C ATOM 600 C ALA A 72 29.211 6.413 17.727 1.00 18.52 C ANISOU 600 C ALA A 72 2852 2335 1847 -431 140 -40 C ATOM 601 O ALA A 72 28.172 5.961 17.267 1.00 20.58 O ANISOU 601 O ALA A 72 3013 3008 1800 -638 61 -165 O ATOM 602 CB ALA A 72 30.350 5.143 19.596 1.00 20.64 C ANISOU 602 CB ALA A 72 3164 3146 1531 -751 61 167 C ATOM 0 H ALA A 72 32.216 6.166 18.389 1.00 16.11 H new ATOM 0 HA ALA A 72 30.268 4.659 17.604 1.00 17.44 H new ATOM 0 HB1 ALA A 72 29.490 4.756 19.824 1.00 20.64 H new ATOM 0 HB2 ALA A 72 31.054 4.507 19.797 1.00 20.64 H new ATOM 0 HB3 ALA A 72 30.488 5.951 20.114 1.00 20.64 H new ATOM 603 N ALA A 73 29.398 7.715 17.972 1.00 20.09 N ANISOU 603 N ALA A 73 3230 2349 2055 -1 -77 -515 N ATOM 604 CA ALA A 73 28.336 8.664 17.645 1.00 21.84 C ANISOU 604 CA ALA A 73 3417 2689 2191 200 -311 -658 C ATOM 605 C ALA A 73 28.064 8.708 16.146 1.00 20.93 C ANISOU 605 C ALA A 73 3332 2399 2220 -51 -272 -549 C ATOM 606 O ALA A 73 26.892 8.835 15.715 1.00 23.32 O ANISOU 606 O ALA A 73 3496 3087 2277 574 -434 -868 O ATOM 607 CB ALA A 73 28.665 10.049 18.163 1.00 28.86 C ANISOU 607 CB ALA A 73 4285 3070 3612 925 -1050 -1802 C ATOM 0 H ALA A 73 30.108 8.057 18.315 1.00 20.09 H new ATOM 0 HA ALA A 73 27.529 8.354 18.085 1.00 21.84 H new ATOM 0 HB1 ALA A 73 27.947 10.659 17.934 1.00 28.86 H new ATOM 0 HB2 ALA A 73 28.768 10.018 19.127 1.00 28.86 H new ATOM 0 HB3 ALA A 73 29.492 10.357 17.760 1.00 28.86 H new ATOM 608 N ALA A 74 29.102 8.579 15.340 1.00 19.50 N ANISOU 608 N ALA A 74 3298 1997 2115 -268 -273 -166 N ATOM 609 CA ALA A 74 28.920 8.548 13.882 1.00 19.17 C ANISOU 609 CA ALA A 74 3461 1741 2083 -296 -284 62 C ATOM 610 C ALA A 74 28.108 7.309 13.495 1.00 17.93 C ANISOU 610 C ALA A 74 3174 1808 1830 -265 -231 111 C ATOM 611 O ALA A 74 27.184 7.388 12.686 1.00 19.91 O ANISOU 611 O ALA A 74 3310 1754 2500 -113 -591 166 O ATOM 612 CB ALA A 74 30.275 8.570 13.172 1.00 20.12 C ANISOU 612 CB ALA A 74 3452 2065 2127 -565 -248 88 C ATOM 0 H ALA A 74 29.917 8.508 15.604 1.00 19.50 H new ATOM 0 HA ALA A 74 28.431 9.337 13.601 1.00 19.17 H new ATOM 0 HB1 ALA A 74 30.138 8.549 12.212 1.00 20.12 H new ATOM 0 HB2 ALA A 74 30.753 9.379 13.412 1.00 20.12 H new ATOM 0 HB3 ALA A 74 30.794 7.796 13.441 1.00 20.12 H new ATOM 613 N VAL A 75 28.449 6.134 14.042 1.00 17.10 N ANISOU 613 N VAL A 75 2997 1797 1702 -343 -212 192 N ATOM 614 CA VAL A 75 27.723 4.912 13.713 1.00 17.04 C ANISOU 614 CA VAL A 75 2962 1815 1697 -328 31 -75 C ATOM 615 C VAL A 75 26.273 4.986 14.202 1.00 18.26 C ANISOU 615 C VAL A 75 2900 2290 1749 -390 -50 -30 C ATOM 616 O VAL A 75 25.334 4.670 13.481 1.00 19.16 O ANISOU 616 O VAL A 75 2996 2359 1926 -543 -180 239 O ATOM 617 CB VAL A 75 28.384 3.673 14.357 1.00 18.34 C ANISOU 617 CB VAL A 75 3193 1791 1985 -267 260 68 C ATOM 618 CG1 VAL A 75 27.580 2.421 14.054 1.00 24.22 C ANISOU 618 CG1 VAL A 75 3847 1958 3396 -655 -14 437 C ATOM 619 CG2 VAL A 75 29.799 3.517 13.843 1.00 19.08 C ANISOU 619 CG2 VAL A 75 3257 2030 1962 14 282 -59 C ATOM 0 H VAL A 75 29.094 6.029 14.601 1.00 17.10 H new ATOM 0 HA VAL A 75 27.744 4.828 12.747 1.00 17.04 H new ATOM 0 HB VAL A 75 28.407 3.799 15.318 1.00 18.34 H new ATOM 0 HG11 VAL A 75 28.008 1.654 14.465 1.00 24.22 H new ATOM 0 HG12 VAL A 75 26.683 2.519 14.409 1.00 24.22 H new ATOM 0 HG13 VAL A 75 27.535 2.290 13.094 1.00 24.22 H new ATOM 0 HG21 VAL A 75 30.208 2.738 14.251 1.00 19.08 H new ATOM 0 HG22 VAL A 75 29.783 3.406 12.880 1.00 19.08 H new ATOM 0 HG23 VAL A 75 30.314 4.307 14.068 1.00 19.08 H new ATOM 620 N ARG A 76 26.044 5.437 15.436 1.00 21.89 N ANISOU 620 N ARG A 76 2846 3577 1896 -42 -23 -327 N ATOM 621 CA ARG A 76 24.726 5.658 15.984 1.00 27.31 C ANISOU 621 CA ARG A 76 2987 5134 2255 258 27 -591 C ATOM 622 C ARG A 76 23.894 6.555 15.078 1.00 27.17 C ANISOU 622 C ARG A 76 2994 4534 2797 507 113 -786 C ATOM 623 O ARG A 76 22.717 6.237 14.856 1.00 26.32 O ANISOU 623 O ARG A 76 3172 4438 2389 328 -144 -853 O ATOM 624 CB ARG A 76 24.834 6.400 17.331 1.00 35.41 C ANISOU 624 CB ARG A 76 3203 7709 2541 135 259 -1657 C ATOM 625 CG ARG A 76 24.700 5.724 18.644 1.00 53.56 C ANISOU 625 CG ARG A 76 8301 9591 2459 -2548 1377 -1766 C ATOM 626 CD ARG A 76 24.066 6.590 19.714 1.00 55.97 C ANISOU 626 CD ARG A 76 7294 11048 2925 -3669 1373 -3108 C ATOM 627 NE ARG A 76 24.641 7.894 19.824 1.00 66.67 N ANISOU 627 NE ARG A 76 8716 11081 5534 -3916 2137 -3991 N ATOM 628 CZ ARG A 76 25.858 8.204 20.228 1.00 77.29 C ANISOU 628 CZ ARG A 76 10186 13929 5251 -6590 1754 -3888 C ATOM 629 NH1 ARG A 76 26.245 9.479 20.274 1.00 90.11 N ANISOU 629 NH1 ARG A 76 13681 14646 5913 -8273 2807 -4428 N ATOM 630 NH2 ARG A 76 26.712 7.257 20.592 1.00 67.38 N ANISOU 630 NH2 ARG A 76 6905 15648 3049 -7518 1582 -3547 N ATOM 0 H ARG A 76 26.677 5.626 15.987 1.00 21.89 H new ATOM 0 HA ARG A 76 24.312 4.786 16.080 1.00 27.31 H new ATOM 0 HB2 ARG A 76 25.700 6.837 17.335 1.00 35.41 H new ATOM 0 HB3 ARG A 76 24.163 7.100 17.313 1.00 35.41 H new ATOM 0 HG2 ARG A 76 24.168 4.921 18.532 1.00 53.56 H new ATOM 0 HG3 ARG A 76 25.578 5.443 18.945 1.00 53.56 H new ATOM 0 HD2 ARG A 76 23.119 6.679 19.525 1.00 55.97 H new ATOM 0 HD3 ARG A 76 24.143 6.139 20.569 1.00 55.97 H new ATOM 0 HE ARG A 76 24.135 8.553 19.601 1.00 66.67 H new ATOM 0 HH11 ARG A 76 25.701 10.102 20.040 1.00 90.11 H new ATOM 0 HH12 ARG A 76 27.039 9.678 20.538 1.00 90.11 H new ATOM 0 HH21 ARG A 76 26.475 6.431 20.566 1.00 67.38 H new ATOM 0 HH22 ARG A 76 27.503 7.469 20.854 1.00 67.38 H new ATOM 631 N GLY A 77 24.556 7.619 14.642 1.00 25.72 N ANISOU 631 N GLY A 77 3004 3860 2907 455 -468 -1372 N ATOM 632 CA GLY A 77 23.928 8.609 13.780 1.00 28.01 C ANISOU 632 CA GLY A 77 3802 3275 3565 432 -719 -1462 C ATOM 633 C GLY A 77 23.396 8.000 12.487 1.00 23.32 C ANISOU 633 C GLY A 77 3691 2076 3095 204 -613 -715 C ATOM 634 O GLY A 77 22.274 8.244 12.019 1.00 27.55 O ANISOU 634 O GLY A 77 3563 2813 4094 438 -843 -1403 O ATOM 0 H GLY A 77 25.377 7.787 14.836 1.00 25.72 H new ATOM 0 HA2 GLY A 77 23.199 9.035 14.258 1.00 28.01 H new ATOM 0 HA3 GLY A 77 24.571 9.303 13.567 1.00 28.01 H new ATOM 635 N ILE A 78 24.257 7.178 11.907 1.00 19.58 N ANISOU 635 N ILE A 78 3145 1903 2391 -123 -502 -203 N ATOM 636 CA ILE A 78 23.836 6.454 10.698 1.00 18.14 C ANISOU 636 CA ILE A 78 3018 1829 2044 -498 55 -13 C ATOM 637 C ILE A 78 22.638 5.573 10.969 1.00 17.41 C ANISOU 637 C ILE A 78 2744 1807 2063 -297 -70 75 C ATOM 638 O ILE A 78 21.671 5.619 10.179 1.00 18.59 O ANISOU 638 O ILE A 78 2654 2406 2005 -149 79 51 O ATOM 639 CB ILE A 78 25.039 5.671 10.158 1.00 16.83 C ANISOU 639 CB ILE A 78 2741 1790 1865 -527 -138 224 C ATOM 640 CG1 ILE A 78 26.095 6.599 9.554 1.00 18.33 C ANISOU 640 CG1 ILE A 78 2882 1942 2139 -600 -164 544 C ATOM 641 CG2 ILE A 78 24.643 4.581 9.180 1.00 17.52 C ANISOU 641 CG2 ILE A 78 2798 1989 1868 -506 -62 -11 C ATOM 642 CD1 ILE A 78 27.437 5.959 9.338 1.00 19.47 C ANISOU 642 CD1 ILE A 78 2753 2499 2147 -680 -66 385 C ATOM 0 H ILE A 78 25.059 7.023 12.177 1.00 19.58 H new ATOM 0 HA ILE A 78 23.545 7.083 10.019 1.00 18.14 H new ATOM 0 HB ILE A 78 25.435 5.227 10.924 1.00 16.83 H new ATOM 0 HG12 ILE A 78 25.768 6.932 8.704 1.00 18.33 H new ATOM 0 HG13 ILE A 78 26.206 7.367 10.136 1.00 18.33 H new ATOM 0 HG21 ILE A 78 25.438 4.119 8.871 1.00 17.52 H new ATOM 0 HG22 ILE A 78 24.053 3.949 9.621 1.00 17.52 H new ATOM 0 HG23 ILE A 78 24.184 4.977 8.422 1.00 17.52 H new ATOM 0 HD11 ILE A 78 28.047 6.608 8.955 1.00 19.47 H new ATOM 0 HD12 ILE A 78 27.788 5.648 10.187 1.00 19.47 H new ATOM 0 HD13 ILE A 78 27.343 5.207 8.732 1.00 19.47 H new ATOM 643 N LEU A 79 22.691 4.788 12.036 1.00 18.00 N ANISOU 643 N LEU A 79 2724 2285 1832 -363 164 81 N ATOM 644 CA LEU A 79 21.648 3.803 12.288 1.00 18.19 C ANISOU 644 CA LEU A 79 3043 1972 1897 -257 370 19 C ATOM 645 C LEU A 79 20.345 4.517 12.605 1.00 18.95 C ANISOU 645 C LEU A 79 2774 2344 2080 -342 298 22 C ATOM 646 O LEU A 79 19.321 3.887 12.357 1.00 24.94 O ANISOU 646 O LEU A 79 3033 3177 3265 -909 441 -239 O ATOM 647 CB LEU A 79 22.027 2.815 13.385 1.00 21.59 C ANISOU 647 CB LEU A 79 3159 2675 2370 -196 326 565 C ATOM 648 CG LEU A 79 23.274 1.954 13.082 1.00 22.51 C ANISOU 648 CG LEU A 79 3086 2477 2991 -164 134 549 C ATOM 649 CD1 LEU A 79 23.596 1.017 14.243 1.00 33.63 C ANISOU 649 CD1 LEU A 79 5400 3238 4140 1040 720 1531 C ATOM 650 CD2 LEU A 79 23.099 1.161 11.795 1.00 26.94 C ANISOU 650 CD2 LEU A 79 3288 2803 4143 -489 222 -499 C ATOM 0 H LEU A 79 23.318 4.809 12.624 1.00 18.00 H new ATOM 0 HA LEU A 79 21.534 3.273 11.484 1.00 18.19 H new ATOM 0 HB2 LEU A 79 22.182 3.307 14.206 1.00 21.59 H new ATOM 0 HB3 LEU A 79 21.274 2.225 13.545 1.00 21.59 H new ATOM 0 HG LEU A 79 24.021 2.561 12.965 1.00 22.51 H new ATOM 0 HD11 LEU A 79 24.381 0.490 14.026 1.00 33.63 H new ATOM 0 HD12 LEU A 79 23.768 1.539 15.042 1.00 33.63 H new ATOM 0 HD13 LEU A 79 22.843 0.425 14.400 1.00 33.63 H new ATOM 0 HD21 LEU A 79 23.895 0.631 11.630 1.00 26.94 H new ATOM 0 HD22 LEU A 79 22.332 0.574 11.878 1.00 26.94 H new ATOM 0 HD23 LEU A 79 22.959 1.772 11.055 1.00 26.94 H new ATOM 651 N ARG A 80 20.387 5.737 13.141 1.00 20.33 N ANISOU 651 N ARG A 80 2911 2521 2293 -65 373 -292 N ATOM 652 CA ARG A 80 19.145 6.429 13.516 1.00 21.56 C ANISOU 652 CA ARG A 80 2948 2815 2427 152 416 81 C ATOM 653 C ARG A 80 18.597 7.279 12.397 1.00 22.46 C ANISOU 653 C ARG A 80 3143 2876 2513 279 573 84 C ATOM 654 O ARG A 80 17.521 7.869 12.539 1.00 27.98 O ANISOU 654 O ARG A 80 3559 4400 2672 1230 703 589 O ATOM 655 CB ARG A 80 19.386 7.258 14.802 1.00 23.98 C ANISOU 655 CB ARG A 80 3162 3432 2519 572 631 -308 C ATOM 656 CG ARG A 80 19.503 6.421 16.094 1.00 34.38 C ANISOU 656 CG ARG A 80 5833 4646 2585 -213 -153 100 C ATOM 657 CD ARG A 80 19.779 7.180 17.351 1.00 37.26 C ANISOU 657 CD ARG A 80 5236 6607 2317 -323 1197 -752 C ATOM 658 NE ARG A 80 19.938 6.321 18.525 1.00 48.57 N ANISOU 658 NE ARG A 80 7736 8432 2288 -2217 684 57 N ATOM 659 CZ ARG A 80 20.347 6.754 19.712 1.00 64.26 C ANISOU 659 CZ ARG A 80 12663 9390 2364 -4666 82 388 C ATOM 660 NH1 ARG A 80 20.637 8.037 19.885 1.00 82.87 N ANISOU 660 NH1 ARG A 80 15820 11000 4667 -8559 351 58 N ATOM 661 NH2 ARG A 80 20.465 5.910 20.725 1.00 73.02 N ANISOU 661 NH2 ARG A 80 14308 11234 2203 -3251 508 937 N ATOM 0 H ARG A 80 21.109 6.178 13.295 1.00 20.33 H new ATOM 0 HA ARG A 80 18.466 5.759 13.694 1.00 21.56 H new ATOM 0 HB2 ARG A 80 20.199 7.776 14.691 1.00 23.98 H new ATOM 0 HB3 ARG A 80 18.658 7.891 14.906 1.00 23.98 H new ATOM 0 HG2 ARG A 80 18.677 5.926 16.212 1.00 34.38 H new ATOM 0 HG3 ARG A 80 20.210 5.768 15.971 1.00 34.38 H new ATOM 0 HD2 ARG A 80 20.585 7.707 17.233 1.00 37.26 H new ATOM 0 HD3 ARG A 80 19.053 7.803 17.511 1.00 37.26 H new ATOM 0 HE ARG A 80 19.755 5.485 18.441 1.00 48.57 H new ATOM 0 HH11 ARG A 80 20.560 8.588 19.229 1.00 82.87 H new ATOM 0 HH12 ARG A 80 20.902 8.318 20.653 1.00 82.87 H new ATOM 0 HH21 ARG A 80 20.277 5.078 20.616 1.00 73.02 H new ATOM 0 HH22 ARG A 80 20.730 6.194 21.492 1.00 73.02 H new ATOM 662 N AASN A 81 19.331 7.355 11.294 0.50 20.91 N ANISOU 662 N AASN A 81 2765 2782 2398 -99 324 116 N ATOM 663 N BASN A 81 19.302 7.363 11.280 0.50 20.80 N ANISOU 663 N BASN A 81 2762 2827 2314 -47 258 45 N ATOM 664 CA AASN A 81 18.930 8.180 10.156 0.50 20.86 C ANISOU 664 CA AASN A 81 2808 2640 2478 6 273 62 C ATOM 665 CA BASN A 81 18.911 8.263 10.184 0.50 20.84 C ANISOU 665 CA BASN A 81 2741 2668 2509 32 298 92 C ATOM 666 C AASN A 81 18.229 7.333 9.101 0.50 19.53 C ANISOU 666 C AASN A 81 2573 2565 2284 -9 473 79 C ATOM 667 C BASN A 81 18.289 7.469 9.042 0.50 20.08 C ANISOU 667 C BASN A 81 2826 2371 2433 75 133 305 C ATOM 668 O AASN A 81 18.764 6.323 8.640 0.50 22.01 O ANISOU 668 O AASN A 81 2746 2661 2956 -77 769 -166 O ATOM 669 O BASN A 81 18.978 6.603 8.491 0.50 19.55 O ANISOU 669 O BASN A 81 2983 2312 2132 62 290 480 O ATOM 670 CB AASN A 81 20.145 8.864 9.543 0.50 22.45 C ANISOU 670 CB AASN A 81 3302 2403 2826 -379 277 156 C ATOM 671 CB BASN A 81 20.159 9.020 9.769 0.50 20.26 C ANISOU 671 CB BASN A 81 2741 2243 2715 165 407 -72 C ATOM 672 CG AASN A 81 19.811 9.788 8.387 0.50 23.37 C ANISOU 672 CG AASN A 81 4018 2037 2826 -490 101 3 C ATOM 673 CG BASN A 81 20.009 10.045 8.672 0.50 23.51 C ANISOU 673 CG BASN A 81 3738 2276 2921 -459 36 84 C ATOM 674 OD1AASN A 81 19.597 9.342 7.264 0.50 19.44 O ANISOU 674 OD1AASN A 81 2497 1976 2914 -192 58 -67 O ATOM 675 OD1BASN A 81 19.511 9.736 7.593 0.50 32.55 O ANISOU 675 OD1BASN A 81 5861 2854 3651 -1625 -1414 804 O ATOM 676 ND2AASN A 81 19.779 11.079 8.699 0.50 19.38 N ANISOU 676 ND2AASN A 81 2230 2189 2946 140 644 -295 N ATOM 677 ND2BASN A 81 20.455 11.262 8.960 0.50 30.01 N ANISOU 677 ND2BASN A 81 4556 3025 3823 -1922 -530 584 N ATOM 0 H AASN A 81 20.072 6.933 11.182 0.50 20.80 H new ATOM 0 H BASN A 81 20.016 6.908 11.128 0.50 20.80 H new ATOM 0 HA AASN A 81 18.313 8.857 10.475 0.50 20.84 H new ATOM 0 HA BASN A 81 18.231 8.897 10.462 0.50 20.84 H new ATOM 0 HB2AASN A 81 20.600 9.373 10.232 0.50 20.26 H new ATOM 0 HB2BASN A 81 20.514 9.468 10.553 0.50 20.26 H new ATOM 0 HB3AASN A 81 20.766 8.186 9.235 0.50 20.26 H new ATOM 0 HB3BASN A 81 20.824 8.372 9.487 0.50 20.26 H new ATOM 0 HD21AASN A 81 19.599 11.663 8.094 0.50 30.01 H new ATOM 0 HD21BASN A 81 20.404 11.889 8.373 0.50 30.01 H new ATOM 0 HD22AASN A 81 19.938 11.330 9.506 0.50 30.01 H new ATOM 0 HD22BASN A 81 20.795 11.423 9.733 0.50 30.01 H new ATOM 678 N ALA A 82 17.027 7.761 8.718 1.00 21.27 N ANISOU 678 N ALA A 82 2654 2543 2884 -137 235 224 N ATOM 679 CA ALA A 82 16.202 7.057 7.755 1.00 23.94 C ANISOU 679 CA ALA A 82 2884 3536 2677 -328 102 301 C ATOM 680 C ALA A 82 16.793 6.999 6.348 1.00 23.12 C ANISOU 680 C ALA A 82 2936 2984 2864 -81 317 111 C ATOM 681 O ALA A 82 16.513 6.067 5.555 1.00 25.29 O ANISOU 681 O ALA A 82 3311 3203 3095 364 -267 -99 O ATOM 682 CB ALA A 82 14.800 7.675 7.669 1.00 30.53 C ANISOU 682 CB ALA A 82 2589 5180 3831 -154 66 -1526 C ATOM 0 H AALA A 82 16.667 8.482 9.019 0.50 21.27 H new ATOM 0 H BALA A 82 16.610 8.419 9.082 0.50 21.27 H new ATOM 0 HA ALA A 82 16.157 6.148 8.090 1.00 23.94 H new ATOM 0 HB1 ALA A 82 14.270 7.187 7.020 1.00 30.53 H new ATOM 0 HB2 ALA A 82 14.371 7.627 8.538 1.00 30.53 H new ATOM 0 HB3 ALA A 82 14.871 8.603 7.395 1.00 30.53 H new ATOM 683 N LYS A 83 17.636 7.946 5.967 1.00 24.80 N ANISOU 683 N LYS A 83 2881 3614 2929 -249 -1 853 N ATOM 684 CA LYS A 83 18.280 7.841 4.649 1.00 24.09 C ANISOU 684 CA LYS A 83 2839 3716 2597 -545 -388 763 C ATOM 685 C LYS A 83 19.585 7.062 4.691 1.00 23.05 C ANISOU 685 C LYS A 83 3148 3452 2156 -365 -344 55 C ATOM 686 O LYS A 83 19.930 6.344 3.748 1.00 30.13 O ANISOU 686 O LYS A 83 4245 4970 2233 -10 -243 -446 O ATOM 687 CB LYS A 83 18.467 9.267 4.138 1.00 26.59 C ANISOU 687 CB LYS A 83 3778 3508 2817 -284 271 650 C ATOM 688 CG LYS A 83 17.159 9.939 3.757 1.00 34.82 C ANISOU 688 CG LYS A 83 4349 4267 4615 249 -10 1535 C ATOM 689 CD LYS A 83 16.990 10.213 2.277 1.00 48.60 C ANISOU 689 CD LYS A 83 6706 6567 5195 -400 -1857 2212 C ATOM 690 CE LYS A 83 15.914 9.387 1.604 1.00 55.05 C ANISOU 690 CE LYS A 83 7032 7544 6341 -706 -2534 2175 C ATOM 691 NZ LYS A 83 15.628 9.702 0.177 1.00 46.65 N ANISOU 691 NZ LYS A 83 5565 5885 6275 177 -2240 1844 N ATOM 0 H LYS A 83 17.849 8.638 6.431 1.00 24.80 H new ATOM 0 HA LYS A 83 17.720 7.332 4.042 1.00 24.09 H new ATOM 0 HB2 LYS A 83 18.908 9.795 4.822 1.00 26.59 H new ATOM 0 HB3 LYS A 83 19.055 9.254 3.366 1.00 26.59 H new ATOM 0 HG2 LYS A 83 16.424 9.380 4.055 1.00 34.82 H new ATOM 0 HG3 LYS A 83 17.090 10.778 4.238 1.00 34.82 H new ATOM 0 HD2 LYS A 83 16.784 11.153 2.155 1.00 48.60 H new ATOM 0 HD3 LYS A 83 17.835 10.048 1.831 1.00 48.60 H new ATOM 0 HE2 LYS A 83 16.167 8.453 1.664 1.00 55.05 H new ATOM 0 HE3 LYS A 83 15.092 9.491 2.108 1.00 55.05 H new ATOM 0 HZ1 LYS A 83 14.956 9.195 -0.110 1.00 46.65 H new ATOM 0 HZ2 LYS A 83 15.405 10.560 0.101 1.00 46.65 H new ATOM 0 HZ3 LYS A 83 16.352 9.540 -0.314 1.00 46.65 H new ATOM 692 N LEU A 84 20.340 7.139 5.786 1.00 18.41 N ANISOU 692 N LEU A 84 2800 2073 2123 -370 -185 276 N ATOM 693 CA LEU A 84 21.630 6.469 5.857 1.00 17.71 C ANISOU 693 CA LEU A 84 2797 1793 2142 -468 6 122 C ATOM 694 C LEU A 84 21.575 4.997 6.262 1.00 16.60 C ANISOU 694 C LEU A 84 2502 1906 1900 -488 -25 181 C ATOM 695 O LEU A 84 22.382 4.202 5.779 1.00 17.12 O ANISOU 695 O LEU A 84 2718 1723 2065 -568 193 69 O ATOM 696 CB LEU A 84 22.584 7.195 6.800 1.00 16.19 C ANISOU 696 CB LEU A 84 2633 1574 1943 -127 -9 86 C ATOM 697 CG LEU A 84 22.913 8.645 6.424 1.00 18.24 C ANISOU 697 CG LEU A 84 2898 1956 2076 -705 -146 387 C ATOM 698 CD1 LEU A 84 23.702 9.327 7.528 1.00 19.44 C ANISOU 698 CD1 LEU A 84 2967 1861 2558 -332 -410 47 C ATOM 699 CD2 LEU A 84 23.674 8.698 5.109 1.00 20.98 C ANISOU 699 CD2 LEU A 84 3440 2137 2393 -770 238 279 C ATOM 0 H LEU A 84 20.121 7.574 6.495 1.00 18.41 H new ATOM 0 HA LEU A 84 21.955 6.499 4.944 1.00 17.71 H new ATOM 0 HB2 LEU A 84 22.200 7.188 7.691 1.00 16.19 H new ATOM 0 HB3 LEU A 84 23.413 6.693 6.845 1.00 16.19 H new ATOM 0 HG LEU A 84 22.077 9.124 6.313 1.00 18.24 H new ATOM 0 HD11 LEU A 84 23.898 10.241 7.269 1.00 19.44 H new ATOM 0 HD12 LEU A 84 23.180 9.328 8.346 1.00 19.44 H new ATOM 0 HD13 LEU A 84 24.532 8.848 7.676 1.00 19.44 H new ATOM 0 HD21 LEU A 84 23.873 9.621 4.887 1.00 20.98 H new ATOM 0 HD22 LEU A 84 24.502 8.200 5.194 1.00 20.98 H new ATOM 0 HD23 LEU A 84 23.133 8.307 4.406 1.00 20.98 H new ATOM 700 N LYS A 85 20.647 4.650 7.141 1.00 16.93 N ANISOU 700 N LYS A 85 2636 1848 1950 -337 112 217 N ATOM 701 CA LYS A 85 20.613 3.282 7.648 1.00 16.46 C ANISOU 701 CA LYS A 85 2679 1855 1720 -290 263 152 C ATOM 702 C LYS A 85 20.455 2.265 6.507 1.00 16.11 C ANISOU 702 C LYS A 85 2415 1798 1910 -425 189 180 C ATOM 703 O LYS A 85 21.172 1.275 6.492 1.00 17.23 O ANISOU 703 O LYS A 85 2541 1830 2177 -270 338 211 O ATOM 704 CB LYS A 85 19.517 3.037 8.676 1.00 19.05 C ANISOU 704 CB LYS A 85 2954 2262 2024 -564 507 97 C ATOM 705 CG LYS A 85 19.522 1.632 9.253 1.00 22.50 C ANISOU 705 CG LYS A 85 4103 2157 2289 -1105 759 -2 C ATOM 706 CD LYS A 85 18.477 1.411 10.310 1.00 33.43 C ANISOU 706 CD LYS A 85 6073 3572 3058 -1998 1944 102 C ATOM 707 CE LYS A 85 18.441 -0.023 10.851 1.00 39.81 C ANISOU 707 CE LYS A 85 6456 4065 4605 -862 3525 1050 C ATOM 708 NZ LYS A 85 19.829 -0.594 10.931 1.00 48.69 N ANISOU 708 NZ LYS A 85 6960 6348 5191 -13 2328 1486 N ATOM 0 H LYS A 85 20.041 5.174 7.452 1.00 16.93 H new ATOM 0 HA LYS A 85 21.467 3.160 8.091 1.00 16.46 H new ATOM 0 HB2 LYS A 85 19.615 3.675 9.400 1.00 19.05 H new ATOM 0 HB3 LYS A 85 18.655 3.206 8.264 1.00 19.05 H new ATOM 0 HG2 LYS A 85 19.384 0.995 8.535 1.00 22.50 H new ATOM 0 HG3 LYS A 85 20.397 1.449 9.630 1.00 22.50 H new ATOM 0 HD2 LYS A 85 18.639 2.022 11.046 1.00 33.43 H new ATOM 0 HD3 LYS A 85 17.606 1.632 9.944 1.00 33.43 H new ATOM 0 HE2 LYS A 85 18.031 -0.032 11.730 1.00 39.81 H new ATOM 0 HE3 LYS A 85 17.891 -0.577 10.276 1.00 39.81 H new ATOM 0 HZ1 LYS A 85 19.829 -1.300 11.473 1.00 48.69 H new ATOM 0 HZ2 LYS A 85 20.095 -0.844 10.119 1.00 48.69 H new ATOM 0 HZ3 LYS A 85 20.386 0.023 11.248 1.00 48.69 H new ATOM 709 N PRO A 86 19.528 2.413 5.566 1.00 17.24 N ANISOU 709 N PRO A 86 2533 1978 2039 -329 5 -14 N ATOM 710 CA PRO A 86 19.413 1.373 4.523 1.00 18.07 C ANISOU 710 CA PRO A 86 2439 2103 2323 -494 60 -132 C ATOM 711 C PRO A 86 20.681 1.232 3.685 1.00 17.03 C ANISOU 711 C PRO A 86 2508 1775 2187 -415 165 62 C ATOM 712 O PRO A 86 21.050 0.110 3.311 1.00 16.59 O ANISOU 712 O PRO A 86 2406 1656 2243 -445 -149 96 O ATOM 713 CB PRO A 86 18.209 1.769 3.658 1.00 20.30 C ANISOU 713 CB PRO A 86 2407 2665 2643 -668 -205 -179 C ATOM 714 CG PRO A 86 17.764 3.077 4.173 1.00 24.66 C ANISOU 714 CG PRO A 86 3510 2656 3203 121 -926 42 C ATOM 715 CD PRO A 86 18.451 3.412 5.446 1.00 18.98 C ANISOU 715 CD PRO A 86 2478 2349 2386 -126 162 -26 C ATOM 0 HA PRO A 86 19.289 0.502 4.931 1.00 18.07 H new ATOM 0 HB2 PRO A 86 18.456 1.828 2.722 1.00 20.30 H new ATOM 0 HB3 PRO A 86 17.501 1.109 3.723 1.00 20.30 H new ATOM 0 HG2 PRO A 86 17.944 3.766 3.514 1.00 24.66 H new ATOM 0 HG3 PRO A 86 16.804 3.063 4.314 1.00 24.66 H new ATOM 0 HD2 PRO A 86 18.808 4.314 5.427 1.00 18.98 H new ATOM 0 HD3 PRO A 86 17.841 3.364 6.199 1.00 18.98 H new ATOM 716 N VAL A 87 21.350 2.332 3.388 1.00 16.84 N ANISOU 716 N VAL A 87 2651 1629 2118 -407 81 9 N ATOM 717 CA VAL A 87 22.599 2.225 2.624 1.00 16.39 C ANISOU 717 CA VAL A 87 2721 1692 1815 -555 85 295 C ATOM 718 C VAL A 87 23.615 1.489 3.476 1.00 14.83 C ANISOU 718 C VAL A 87 2448 1579 1608 -689 191 133 C ATOM 719 O VAL A 87 24.259 0.550 2.982 1.00 15.71 O ANISOU 719 O VAL A 87 2677 1601 1691 -544 164 8 O ATOM 720 CB VAL A 87 23.112 3.594 2.166 1.00 19.04 C ANISOU 720 CB VAL A 87 3253 1935 2047 -757 -60 526 C ATOM 721 CG1 VAL A 87 24.384 3.397 1.356 1.00 22.26 C ANISOU 721 CG1 VAL A 87 3524 2304 2631 -1170 456 584 C ATOM 722 CG2 VAL A 87 22.030 4.280 1.388 1.00 21.80 C ANISOU 722 CG2 VAL A 87 3992 2205 2084 -511 -325 694 C ATOM 0 H VAL A 87 21.115 3.130 3.607 1.00 16.84 H new ATOM 0 HA VAL A 87 22.439 1.724 1.809 1.00 16.39 H new ATOM 0 HB VAL A 87 23.333 4.161 2.921 1.00 19.04 H new ATOM 0 HG11 VAL A 87 24.717 4.259 1.061 1.00 22.26 H new ATOM 0 HG12 VAL A 87 25.054 2.963 1.906 1.00 22.26 H new ATOM 0 HG13 VAL A 87 24.193 2.843 0.583 1.00 22.26 H new ATOM 0 HG21 VAL A 87 22.345 5.149 1.093 1.00 21.80 H new ATOM 0 HG22 VAL A 87 21.796 3.742 0.616 1.00 21.80 H new ATOM 0 HG23 VAL A 87 21.249 4.394 1.951 1.00 21.80 H new ATOM 723 N TYR A 88 23.759 1.889 4.732 1.00 15.47 N ANISOU 723 N TYR A 88 2707 1520 1652 -492 189 87 N ATOM 724 CA TYR A 88 24.733 1.233 5.609 1.00 15.65 C ANISOU 724 CA TYR A 88 2679 1624 1644 -635 143 185 C ATOM 725 C TYR A 88 24.501 -0.269 5.644 1.00 14.40 C ANISOU 725 C TYR A 88 2351 1617 1504 -512 74 98 C ATOM 726 O TYR A 88 25.428 -1.081 5.505 1.00 16.08 O ANISOU 726 O TYR A 88 2499 1827 1783 -320 98 17 O ATOM 727 CB TYR A 88 24.681 1.854 7.002 1.00 16.00 C ANISOU 727 CB TYR A 88 2559 1769 1753 -420 207 -74 C ATOM 728 CG TYR A 88 25.705 1.348 7.960 1.00 18.00 C ANISOU 728 CG TYR A 88 3019 1915 1905 -518 -141 -86 C ATOM 729 CD1 TYR A 88 25.421 0.267 8.810 1.00 17.63 C ANISOU 729 CD1 TYR A 88 2699 2098 1901 -419 7 57 C ATOM 730 CD2 TYR A 88 26.961 1.956 8.030 1.00 17.68 C ANISOU 730 CD2 TYR A 88 3066 1816 1834 -613 -247 -13 C ATOM 731 CE1 TYR A 88 26.407 -0.182 9.707 1.00 20.46 C ANISOU 731 CE1 TYR A 88 3368 2677 1729 -507 -377 10 C ATOM 732 CE2 TYR A 88 27.929 1.513 8.904 1.00 20.02 C ANISOU 732 CE2 TYR A 88 3315 2511 1779 -480 -395 -71 C ATOM 733 CZ TYR A 88 27.648 0.439 9.734 1.00 19.14 C ANISOU 733 CZ TYR A 88 3143 2509 1621 -320 -419 -61 C ATOM 734 OH TYR A 88 28.646 0.028 10.604 1.00 21.86 O ANISOU 734 OH TYR A 88 3390 2746 2170 -149 -616 7 O ATOM 0 H TYR A 88 23.313 2.528 5.096 1.00 15.47 H new ATOM 0 HA TYR A 88 25.625 1.373 5.255 1.00 15.65 H new ATOM 0 HB2 TYR A 88 24.785 2.815 6.917 1.00 16.00 H new ATOM 0 HB3 TYR A 88 23.801 1.697 7.378 1.00 16.00 H new ATOM 0 HD1 TYR A 88 24.589 -0.148 8.780 1.00 17.63 H new ATOM 0 HD2 TYR A 88 27.148 2.677 7.473 1.00 17.68 H new ATOM 0 HE1 TYR A 88 26.228 -0.892 10.280 1.00 20.46 H new ATOM 0 HE2 TYR A 88 28.760 1.929 8.937 1.00 20.02 H new ATOM 0 HH TYR A 88 29.397 0.188 10.265 1.00 21.86 H new ATOM 735 N ASP A 89 23.253 -0.625 5.915 1.00 14.93 N ANISOU 735 N ASP A 89 2238 1599 1835 -491 -121 270 N ATOM 736 CA ASP A 89 22.903 -2.046 6.075 1.00 15.74 C ANISOU 736 CA ASP A 89 2508 1692 1782 -567 -18 271 C ATOM 737 C ASP A 89 23.196 -2.821 4.773 1.00 15.41 C ANISOU 737 C ASP A 89 2379 1647 1829 -508 -45 270 C ATOM 738 O ASP A 89 23.497 -4.003 4.840 1.00 18.26 O ANISOU 738 O ASP A 89 3296 1650 1991 -414 21 302 O ATOM 739 CB ASP A 89 21.446 -2.227 6.451 1.00 20.36 C ANISOU 739 CB ASP A 89 2947 2005 2785 -819 792 104 C ATOM 740 CG ASP A 89 21.112 -1.866 7.867 1.00 27.32 C ANISOU 740 CG ASP A 89 4822 2394 3164 -932 1865 7 C ATOM 741 OD1 ASP A 89 19.907 -1.701 8.169 1.00 35.70 O ANISOU 741 OD1 ASP A 89 5312 3158 5094 -1250 3211 -384 O ATOM 742 OD2 ASP A 89 22.076 -1.759 8.663 1.00 31.49 O ANISOU 742 OD2 ASP A 89 6238 3496 2232 -1637 1448 45 O ATOM 0 H ASP A 89 22.598 -0.076 6.010 1.00 14.93 H new ATOM 0 HA ASP A 89 23.449 -2.398 6.796 1.00 15.74 H new ATOM 0 HB2 ASP A 89 20.902 -1.687 5.856 1.00 20.36 H new ATOM 0 HB3 ASP A 89 21.199 -3.153 6.300 1.00 20.36 H new ATOM 743 N SER A 90 23.107 -2.170 3.607 1.00 15.19 N ANISOU 743 N SER A 90 2436 1626 1708 -613 -186 190 N ATOM 744 CA SER A 90 23.346 -2.830 2.347 1.00 15.84 C ANISOU 744 CA SER A 90 2626 1637 1756 -834 -190 167 C ATOM 745 C SER A 90 24.818 -3.062 2.080 1.00 15.20 C ANISOU 745 C SER A 90 2676 1564 1535 -707 -156 114 C ATOM 746 O SER A 90 25.135 -3.873 1.210 1.00 16.25 O ANISOU 746 O SER A 90 2958 1559 1658 -892 -87 -13 O ATOM 747 CB SER A 90 22.743 -2.042 1.194 1.00 16.38 C ANISOU 747 CB SER A 90 2646 1881 1695 -664 -244 42 C ATOM 748 OG SER A 90 23.560 -0.929 0.856 1.00 16.53 O ANISOU 748 OG SER A 90 2854 1734 1690 -577 -227 215 O ATOM 0 H SER A 90 22.906 -1.337 3.538 1.00 15.19 H new ATOM 0 HA SER A 90 22.914 -3.696 2.411 1.00 15.84 H new ATOM 0 HB2 SER A 90 22.641 -2.619 0.421 1.00 16.38 H new ATOM 0 HB3 SER A 90 21.856 -1.734 1.437 1.00 16.38 H new ATOM 0 HG SER A 90 23.795 -0.531 1.557 1.00 16.53 H new ATOM 749 N LEU A 91 25.707 -2.337 2.738 1.00 15.46 N ANISOU 749 N LEU A 91 2572 1576 1727 -635 -149 17 N ATOM 750 CA LEU A 91 27.139 -2.384 2.467 1.00 14.88 C ANISOU 750 CA LEU A 91 2583 1578 1493 -660 -86 226 C ATOM 751 C LEU A 91 27.848 -3.518 3.189 1.00 15.28 C ANISOU 751 C LEU A 91 2745 1449 1613 -549 -16 190 C ATOM 752 O LEU A 91 27.408 -3.955 4.233 1.00 17.26 O ANISOU 752 O LEU A 91 3179 1585 1794 -577 17 381 O ATOM 753 CB LEU A 91 27.746 -1.032 2.824 1.00 13.83 C ANISOU 753 CB LEU A 91 2401 1475 1378 -451 -44 64 C ATOM 754 CG LEU A 91 27.332 0.177 1.972 1.00 14.21 C ANISOU 754 CG LEU A 91 2210 1565 1625 -463 89 202 C ATOM 755 CD1 LEU A 91 27.875 1.472 2.570 1.00 16.89 C ANISOU 755 CD1 LEU A 91 2696 1452 2271 -503 18 135 C ATOM 756 CD2 LEU A 91 27.803 0.029 0.547 1.00 17.20 C ANISOU 756 CD2 LEU A 91 3120 1870 1545 -530 132 383 C ATOM 0 H LEU A 91 25.494 -1.792 3.368 1.00 15.46 H new ATOM 0 HA LEU A 91 27.263 -2.567 1.522 1.00 14.88 H new ATOM 0 HB2 LEU A 91 27.523 -0.838 3.748 1.00 13.83 H new ATOM 0 HB3 LEU A 91 28.711 -1.115 2.777 1.00 13.83 H new ATOM 0 HG LEU A 91 26.363 0.215 1.970 1.00 14.21 H new ATOM 0 HD11 LEU A 91 27.603 2.222 2.018 1.00 16.89 H new ATOM 0 HD12 LEU A 91 27.524 1.587 3.467 1.00 16.89 H new ATOM 0 HD13 LEU A 91 28.844 1.431 2.605 1.00 16.89 H new ATOM 0 HD21 LEU A 91 27.528 0.804 0.033 1.00 17.20 H new ATOM 0 HD22 LEU A 91 28.770 -0.043 0.531 1.00 17.20 H new ATOM 0 HD23 LEU A 91 27.414 -0.770 0.159 1.00 17.20 H new ATOM 757 N ASP A 92 29.001 -3.901 2.612 1.00 15.77 N ANISOU 757 N ASP A 92 2550 1664 1780 -653 -230 145 N ATOM 758 CA ASP A 92 30.007 -4.712 3.265 1.00 16.11 C ANISOU 758 CA ASP A 92 2653 1584 1883 -605 -214 114 C ATOM 759 C ASP A 92 30.781 -3.984 4.351 1.00 15.85 C ANISOU 759 C ASP A 92 2708 1508 1808 -628 -333 304 C ATOM 760 O ASP A 92 30.709 -2.740 4.468 1.00 15.63 O ANISOU 760 O ASP A 92 2721 1482 1737 -474 -288 107 O ATOM 761 CB ASP A 92 31.002 -5.268 2.230 1.00 17.00 C ANISOU 761 CB ASP A 92 2797 1387 2274 -654 -113 -81 C ATOM 762 CG ASP A 92 31.691 -4.105 1.534 1.00 17.51 C ANISOU 762 CG ASP A 92 2850 1866 1939 -914 45 -164 C ATOM 763 OD1 ASP A 92 32.754 -3.667 2.045 1.00 17.89 O ANISOU 763 OD1 ASP A 92 2671 1694 2434 -709 19 -213 O ATOM 764 OD2 ASP A 92 31.084 -3.595 0.540 1.00 17.75 O ANISOU 764 OD2 ASP A 92 3018 1710 2016 -912 51 -74 O ATOM 0 H ASP A 92 29.212 -3.683 1.807 1.00 15.77 H new ATOM 0 HA ASP A 92 29.519 -5.430 3.698 1.00 16.11 H new ATOM 0 HB2 ASP A 92 31.658 -5.834 2.666 1.00 17.00 H new ATOM 0 HB3 ASP A 92 30.538 -5.820 1.581 1.00 17.00 H new ATOM 765 N ALA A 93 31.547 -4.674 5.166 1.00 17.41 N ANISOU 765 N ALA A 93 2929 1666 2021 -492 -456 355 N ATOM 766 CA ALA A 93 32.227 -4.092 6.312 1.00 17.60 C ANISOU 766 CA ALA A 93 3014 1869 1803 -627 -433 413 C ATOM 767 C ALA A 93 33.211 -2.982 5.924 1.00 17.45 C ANISOU 767 C ALA A 93 2872 1951 1805 -674 -164 0 C ATOM 768 O ALA A 93 33.391 -2.031 6.690 1.00 19.84 O ANISOU 768 O ALA A 93 2988 2217 2332 -901 367 -405 O ATOM 769 CB ALA A 93 32.929 -5.160 7.120 1.00 22.98 C ANISOU 769 CB ALA A 93 3469 2568 2693 -573 -967 973 C ATOM 0 H ALA A 93 31.694 -5.516 5.071 1.00 17.41 H new ATOM 0 HA ALA A 93 31.539 -3.680 6.858 1.00 17.60 H new ATOM 0 HB1 ALA A 93 33.375 -4.751 7.878 1.00 22.98 H new ATOM 0 HB2 ALA A 93 32.279 -5.806 7.438 1.00 22.98 H new ATOM 0 HB3 ALA A 93 33.584 -5.609 6.563 1.00 22.98 H new ATOM 770 N VAL A 94 33.916 -3.097 4.806 1.00 16.09 N ANISOU 770 N VAL A 94 2602 1568 1941 -652 -287 -140 N ATOM 771 CA VAL A 94 34.927 -2.105 4.428 1.00 15.57 C ANISOU 771 CA VAL A 94 2471 1722 1724 -537 -240 -75 C ATOM 772 C VAL A 94 34.250 -0.829 3.968 1.00 14.90 C ANISOU 772 C VAL A 94 2423 1728 1511 -502 -90 -106 C ATOM 773 O VAL A 94 34.553 0.282 4.380 1.00 15.47 O ANISOU 773 O VAL A 94 2557 1755 1564 -589 -98 -211 O ATOM 774 CB VAL A 94 35.895 -2.644 3.373 1.00 16.54 C ANISOU 774 CB VAL A 94 2465 1850 1968 -373 -270 -204 C ATOM 775 CG1 VAL A 94 36.856 -1.562 2.909 1.00 19.12 C ANISOU 775 CG1 VAL A 94 2116 2520 2630 -695 19 -569 C ATOM 776 CG2 VAL A 94 36.647 -3.883 3.919 1.00 21.47 C ANISOU 776 CG2 VAL A 94 3246 2567 2346 376 -700 -278 C ATOM 0 H VAL A 94 33.827 -3.744 4.247 1.00 16.09 H new ATOM 0 HA VAL A 94 35.463 -1.905 5.211 1.00 15.57 H new ATOM 0 HB VAL A 94 35.384 -2.922 2.597 1.00 16.54 H new ATOM 0 HG11 VAL A 94 37.458 -1.928 2.242 1.00 19.12 H new ATOM 0 HG12 VAL A 94 36.354 -0.827 2.523 1.00 19.12 H new ATOM 0 HG13 VAL A 94 37.370 -1.239 3.666 1.00 19.12 H new ATOM 0 HG21 VAL A 94 37.257 -4.216 3.242 1.00 21.47 H new ATOM 0 HG22 VAL A 94 37.148 -3.634 4.711 1.00 21.47 H new ATOM 0 HG23 VAL A 94 36.007 -4.576 4.146 1.00 21.47 H new ATOM 777 N ARG A 95 33.282 -0.979 3.069 1.00 14.81 N ANISOU 777 N ARG A 95 2713 1365 1548 -557 -272 -71 N ATOM 778 CA ARG A 95 32.535 0.203 2.587 1.00 14.04 C ANISOU 778 CA ARG A 95 2629 1474 1232 -531 22 54 C ATOM 779 C ARG A 95 31.743 0.845 3.709 1.00 14.35 C ANISOU 779 C ARG A 95 2634 1440 1379 -677 111 -60 C ATOM 780 O ARG A 95 31.576 2.087 3.676 1.00 14.10 O ANISOU 780 O ARG A 95 2505 1455 1396 -561 -32 -20 O ATOM 781 CB ARG A 95 31.672 -0.184 1.399 1.00 14.32 C ANISOU 781 CB ARG A 95 2384 1635 1421 -527 -79 -81 C ATOM 782 CG ARG A 95 32.457 -0.613 0.170 1.00 14.98 C ANISOU 782 CG ARG A 95 2661 1620 1410 -587 -104 -241 C ATOM 783 CD ARG A 95 31.552 -0.788 -1.027 1.00 14.92 C ANISOU 783 CD ARG A 95 2564 1691 1414 -362 -74 -102 C ATOM 784 NE ARG A 95 32.244 -1.062 -2.272 1.00 15.93 N ANISOU 784 NE ARG A 95 2839 1831 1383 -445 -86 -222 N ATOM 785 CZ ARG A 95 32.565 -2.268 -2.737 1.00 15.72 C ANISOU 785 CZ ARG A 95 2768 1921 1282 -210 -110 -153 C ATOM 786 NH1 ARG A 95 32.297 -3.370 -2.049 1.00 16.87 N ANISOU 786 NH1 ARG A 95 2882 1835 1695 -675 25 -268 N ATOM 787 NH2 ARG A 95 33.167 -2.347 -3.897 1.00 16.37 N ANISOU 787 NH2 ARG A 95 2677 1995 1547 -586 24 -339 N ATOM 0 H ARG A 95 33.040 -1.730 2.728 1.00 14.81 H new ATOM 0 HA ARG A 95 33.162 0.878 2.283 1.00 14.04 H new ATOM 0 HB2 ARG A 95 31.083 -0.908 1.663 1.00 14.32 H new ATOM 0 HB3 ARG A 95 31.108 0.569 1.163 1.00 14.32 H new ATOM 0 HG2 ARG A 95 33.136 0.050 -0.030 1.00 14.98 H new ATOM 0 HG3 ARG A 95 32.919 -1.446 0.353 1.00 14.98 H new ATOM 0 HD2 ARG A 95 30.934 -1.514 -0.847 1.00 14.92 H new ATOM 0 HD3 ARG A 95 31.021 0.016 -1.136 1.00 14.92 H new ATOM 0 HE ARG A 95 32.467 -0.385 -2.753 1.00 15.93 H new ATOM 0 HH11 ARG A 95 31.907 -3.315 -1.284 1.00 16.87 H new ATOM 0 HH12 ARG A 95 32.513 -4.139 -2.368 1.00 16.87 H new ATOM 0 HH21 ARG A 95 33.345 -1.631 -4.338 1.00 16.37 H new ATOM 0 HH22 ARG A 95 33.384 -3.115 -4.217 1.00 16.37 H new ATOM 788 N ARG A 96 31.261 0.101 4.716 1.00 14.83 N ANISOU 788 N ARG A 96 2773 1462 1400 -473 102 87 N ATOM 789 CA ARG A 96 30.640 0.741 5.875 1.00 13.90 C ANISOU 789 CA ARG A 96 2322 1567 1392 -452 -48 33 C ATOM 790 C ARG A 96 31.598 1.716 6.531 1.00 13.77 C ANISOU 790 C ARG A 96 2421 1525 1285 -339 -325 156 C ATOM 791 O ARG A 96 31.191 2.788 6.984 1.00 14.69 O ANISOU 791 O ARG A 96 2490 1615 1478 -478 5 -11 O ATOM 792 CB ARG A 96 30.181 -0.326 6.880 1.00 15.37 C ANISOU 792 CB ARG A 96 2810 1631 1398 -521 -48 137 C ATOM 793 CG ARG A 96 28.846 -0.954 6.473 1.00 15.80 C ANISOU 793 CG ARG A 96 2889 1854 1260 -772 79 113 C ATOM 794 CD ARG A 96 28.548 -2.144 7.391 1.00 17.53 C ANISOU 794 CD ARG A 96 2994 1951 1716 -822 -92 287 C ATOM 795 NE ARG A 96 27.268 -2.724 7.017 1.00 16.36 N ANISOU 795 NE ARG A 96 2534 1851 1829 -527 187 321 N ATOM 796 CZ ARG A 96 26.871 -3.946 7.347 1.00 16.32 C ANISOU 796 CZ ARG A 96 2600 1757 1844 -503 67 224 C ATOM 797 NH1 ARG A 96 27.602 -4.748 8.103 1.00 20.44 N ANISOU 797 NH1 ARG A 96 3004 2233 2529 -566 -155 831 N ATOM 798 NH2 ARG A 96 25.715 -4.403 6.935 1.00 18.25 N ANISOU 798 NH2 ARG A 96 2525 2308 2103 -688 192 311 N ATOM 0 H ARG A 96 31.285 -0.758 4.744 1.00 14.83 H new ATOM 0 HA ARG A 96 29.865 1.241 5.574 1.00 13.90 H new ATOM 0 HB2 ARG A 96 30.857 -1.019 6.948 1.00 15.37 H new ATOM 0 HB3 ARG A 96 30.095 0.074 7.760 1.00 15.37 H new ATOM 0 HG2 ARG A 96 28.135 -0.297 6.536 1.00 15.80 H new ATOM 0 HG3 ARG A 96 28.882 -1.246 5.549 1.00 15.80 H new ATOM 0 HD2 ARG A 96 29.251 -2.808 7.317 1.00 17.53 H new ATOM 0 HD3 ARG A 96 28.527 -1.855 8.317 1.00 17.53 H new ATOM 0 HE ARG A 96 26.731 -2.241 6.550 1.00 16.36 H new ATOM 0 HH11 ARG A 96 28.365 -4.483 8.399 1.00 20.44 H new ATOM 0 HH12 ARG A 96 27.315 -5.535 8.298 1.00 20.44 H new ATOM 0 HH21 ARG A 96 25.207 -3.910 6.447 1.00 18.25 H new ATOM 0 HH22 ARG A 96 25.464 -5.196 7.153 1.00 18.25 H new ATOM 799 N CYS A 97 32.886 1.370 6.609 1.00 14.21 N ANISOU 799 N CYS A 97 2433 1606 1360 -413 -326 83 N ATOM 800 CA CYS A 97 33.890 2.275 7.173 1.00 14.42 C ANISOU 800 CA CYS A 97 2369 1823 1286 -462 -213 16 C ATOM 801 C CYS A 97 34.013 3.571 6.367 1.00 13.40 C ANISOU 801 C CYS A 97 2117 1672 1303 -288 -18 -11 C ATOM 802 O CYS A 97 34.189 4.629 6.966 1.00 15.21 O ANISOU 802 O CYS A 97 2729 1713 1335 -193 -72 -64 O ATOM 803 CB CYS A 97 35.248 1.609 7.257 1.00 14.84 C ANISOU 803 CB CYS A 97 2485 1772 1380 -239 -311 -14 C ATOM 804 SG CYS A 97 35.361 0.288 8.462 1.00 17.15 S ANISOU 804 SG CYS A 97 3043 1952 1523 -359 -176 174 S ATOM 0 H CYS A 97 33.198 0.615 6.340 1.00 14.21 H new ATOM 0 HA CYS A 97 33.586 2.496 8.067 1.00 14.42 H new ATOM 0 HB2 CYS A 97 35.475 1.254 6.383 1.00 14.84 H new ATOM 0 HB3 CYS A 97 35.912 2.283 7.471 1.00 14.84 H new ATOM 0 HG CYS A 97 34.724 -0.656 8.083 1.00 17.15 H new ATOM 805 N ALA A 98 33.931 3.482 5.045 1.00 14.33 N ANISOU 805 N ALA A 98 2534 1598 1311 -480 73 13 N ATOM 806 CA ALA A 98 33.925 4.706 4.236 1.00 13.79 C ANISOU 806 CA ALA A 98 2427 1570 1241 -617 218 10 C ATOM 807 C ALA A 98 32.758 5.623 4.590 1.00 13.67 C ANISOU 807 C ALA A 98 2442 1516 1237 -644 153 -15 C ATOM 808 O ALA A 98 32.919 6.850 4.688 1.00 14.44 O ANISOU 808 O ALA A 98 2508 1548 1430 -623 121 -21 O ATOM 809 CB ALA A 98 34.000 4.343 2.752 1.00 13.91 C ANISOU 809 CB ALA A 98 2379 1717 1189 -485 -48 -36 C ATOM 0 H ALA A 98 33.879 2.747 4.602 1.00 14.33 H new ATOM 0 HA ALA A 98 34.715 5.229 4.443 1.00 13.79 H new ATOM 0 HB1 ALA A 98 33.996 5.154 2.220 1.00 13.91 H new ATOM 0 HB2 ALA A 98 34.817 3.848 2.581 1.00 13.91 H new ATOM 0 HB3 ALA A 98 33.235 3.796 2.513 1.00 13.91 H new ATOM 810 N LEU A 99 31.558 5.046 4.789 1.00 13.97 N ANISOU 810 N LEU A 99 2292 1539 1476 -546 -4 17 N ATOM 811 CA LEU A 99 30.388 5.864 5.135 1.00 14.40 C ANISOU 811 CA LEU A 99 2360 1640 1470 -519 -9 18 C ATOM 812 C LEU A 99 30.561 6.468 6.517 1.00 13.78 C ANISOU 812 C LEU A 99 2393 1515 1327 -534 69 146 C ATOM 813 O LEU A 99 30.248 7.647 6.725 1.00 14.69 O ANISOU 813 O LEU A 99 2462 1542 1577 -391 -32 110 O ATOM 814 CB LEU A 99 29.112 5.046 5.001 1.00 15.46 C ANISOU 814 CB LEU A 99 2336 2074 1464 -725 180 -91 C ATOM 815 CG LEU A 99 27.802 5.827 5.082 1.00 17.03 C ANISOU 815 CG LEU A 99 2386 2181 1903 -672 156 69 C ATOM 816 CD1 LEU A 99 27.670 6.789 3.910 1.00 20.21 C ANISOU 816 CD1 LEU A 99 2750 2366 2564 -736 -17 543 C ATOM 817 CD2 LEU A 99 26.607 4.886 5.141 1.00 19.43 C ANISOU 817 CD2 LEU A 99 2298 2464 2622 -703 -195 609 C ATOM 0 H LEU A 99 31.406 4.202 4.729 1.00 13.97 H new ATOM 0 HA LEU A 99 30.312 6.604 4.512 1.00 14.40 H new ATOM 0 HB2 LEU A 99 29.137 4.579 4.151 1.00 15.46 H new ATOM 0 HB3 LEU A 99 29.108 4.370 5.697 1.00 15.46 H new ATOM 0 HG LEU A 99 27.817 6.347 5.901 1.00 17.03 H new ATOM 0 HD11 LEU A 99 26.833 7.273 3.981 1.00 20.21 H new ATOM 0 HD12 LEU A 99 28.409 7.417 3.922 1.00 20.21 H new ATOM 0 HD13 LEU A 99 27.684 6.290 3.078 1.00 20.21 H new ATOM 0 HD21 LEU A 99 25.789 5.404 5.192 1.00 19.43 H new ATOM 0 HD22 LEU A 99 26.590 4.334 4.344 1.00 19.43 H new ATOM 0 HD23 LEU A 99 26.679 4.319 5.925 1.00 19.43 H new ATOM 818 N ILE A 100 31.083 5.675 7.488 1.00 14.22 N ANISOU 818 N ILE A 100 2574 1526 1305 -278 95 47 N ATOM 819 CA ILE A 100 31.314 6.210 8.832 1.00 13.83 C ANISOU 819 CA ILE A 100 2232 1627 1394 -324 -86 142 C ATOM 820 C ILE A 100 32.304 7.379 8.739 1.00 14.12 C ANISOU 820 C ILE A 100 2506 1583 1277 -397 100 173 C ATOM 821 O ILE A 100 32.135 8.408 9.426 1.00 15.07 O ANISOU 821 O ILE A 100 2737 1634 1354 -358 76 51 O ATOM 822 CB ILE A 100 31.831 5.121 9.786 1.00 14.54 C ANISOU 822 CB ILE A 100 2703 1585 1237 -396 175 172 C ATOM 823 CG1 ILE A 100 30.790 4.021 10.002 1.00 15.47 C ANISOU 823 CG1 ILE A 100 2718 1591 1569 -460 126 96 C ATOM 824 CG2 ILE A 100 32.255 5.695 11.120 1.00 15.27 C ANISOU 824 CG2 ILE A 100 2502 2053 1247 -359 -49 149 C ATOM 825 CD1 ILE A 100 31.340 2.764 10.572 1.00 17.07 C ANISOU 825 CD1 ILE A 100 2768 1558 2161 -433 379 265 C ATOM 0 H ILE A 100 31.300 4.850 7.382 1.00 14.22 H new ATOM 0 HA ILE A 100 30.473 6.528 9.197 1.00 13.83 H new ATOM 0 HB ILE A 100 32.610 4.731 9.360 1.00 14.54 H new ATOM 0 HG12 ILE A 100 30.098 4.356 10.593 1.00 15.47 H new ATOM 0 HG13 ILE A 100 30.365 3.821 9.153 1.00 15.47 H new ATOM 0 HG21 ILE A 100 32.574 4.981 11.693 1.00 15.27 H new ATOM 0 HG22 ILE A 100 32.965 6.341 10.983 1.00 15.27 H new ATOM 0 HG23 ILE A 100 31.498 6.132 11.540 1.00 15.27 H new ATOM 0 HD11 ILE A 100 30.625 2.117 10.680 1.00 17.07 H new ATOM 0 HD12 ILE A 100 32.013 2.404 9.973 1.00 17.07 H new ATOM 0 HD13 ILE A 100 31.741 2.949 11.436 1.00 17.07 H new ATOM 826 N ASN A 101 33.314 7.241 7.906 1.00 13.85 N ANISOU 826 N ASN A 101 2421 1545 1298 -454 59 114 N ATOM 827 CA ASN A 101 34.342 8.274 7.751 1.00 13.80 C ANISOU 827 CA ASN A 101 2204 1666 1372 -400 -54 59 C ATOM 828 C ASN A 101 33.705 9.596 7.310 1.00 13.50 C ANISOU 828 C ASN A 101 2296 1516 1318 -478 67 47 C ATOM 829 O ASN A 101 33.962 10.656 7.870 1.00 14.71 O ANISOU 829 O ASN A 101 2628 1651 1309 -490 2 -53 O ATOM 830 CB ASN A 101 35.413 7.761 6.793 1.00 14.20 C ANISOU 830 CB ASN A 101 2454 1586 1355 -442 143 -26 C ATOM 831 CG ASN A 101 36.667 8.616 6.743 1.00 13.16 C ANISOU 831 CG ASN A 101 2359 1460 1183 -372 27 79 C ATOM 832 OD1 ASN A 101 36.580 9.830 6.527 1.00 14.55 O ANISOU 832 OD1 ASN A 101 2585 1427 1516 -226 275 79 O ATOM 833 ND2 ASN A 101 37.808 8.001 6.928 1.00 14.40 N ANISOU 833 ND2 ASN A 101 2482 1528 1463 -189 -27 -67 N ATOM 0 H ASN A 101 33.432 6.549 7.409 1.00 13.85 H new ATOM 0 HA ASN A 101 34.776 8.460 8.598 1.00 13.80 H new ATOM 0 HB2 ASN A 101 35.659 6.859 7.052 1.00 14.20 H new ATOM 0 HB3 ASN A 101 35.035 7.707 5.901 1.00 14.20 H new ATOM 0 HD21 ASN A 101 38.545 8.444 6.902 1.00 14.40 H new ATOM 0 HD22 ASN A 101 37.821 7.154 7.075 1.00 14.40 H new ATOM 834 N MET A 102 32.842 9.499 6.281 1.00 14.08 N ANISOU 834 N MET A 102 2347 1620 1382 -381 -42 72 N ATOM 835 CA MET A 102 32.158 10.689 5.785 1.00 13.78 C ANISOU 835 CA MET A 102 2280 1699 1255 -367 135 127 C ATOM 836 C MET A 102 31.307 11.368 6.860 1.00 14.91 C ANISOU 836 C MET A 102 2504 1666 1495 -436 208 -58 C ATOM 837 O MET A 102 31.315 12.579 7.024 1.00 15.07 O ANISOU 837 O MET A 102 2615 1570 1543 -375 10 -8 O ATOM 838 CB MET A 102 31.260 10.371 4.594 1.00 14.29 C ANISOU 838 CB MET A 102 2375 1639 1415 -303 -29 64 C ATOM 839 CG MET A 102 31.985 9.961 3.347 1.00 15.83 C ANISOU 839 CG MET A 102 2892 1930 1192 -284 41 170 C ATOM 840 SD MET A 102 30.897 9.781 1.924 1.00 16.73 S ANISOU 840 SD MET A 102 2900 1966 1490 -451 -61 17 S ATOM 841 CE MET A 102 30.469 11.502 1.585 1.00 18.78 C ANISOU 841 CE MET A 102 3188 2373 1574 95 -213 133 C ATOM 0 H MET A 102 32.648 8.768 5.871 1.00 14.08 H new ATOM 0 HA MET A 102 32.864 11.295 5.512 1.00 13.78 H new ATOM 0 HB2 MET A 102 30.650 9.660 4.846 1.00 14.29 H new ATOM 0 HB3 MET A 102 30.719 11.152 4.396 1.00 14.29 H new ATOM 0 HG2 MET A 102 32.667 10.620 3.144 1.00 15.83 H new ATOM 0 HG3 MET A 102 32.442 9.120 3.507 1.00 15.83 H new ATOM 0 HE1 MET A 102 30.105 11.575 0.689 1.00 18.78 H new ATOM 0 HE2 MET A 102 29.808 11.804 2.227 1.00 18.78 H new ATOM 0 HE3 MET A 102 31.264 12.053 1.657 1.00 18.78 H new ATOM 842 N VAL A 103 30.555 10.537 7.625 1.00 14.08 N ANISOU 842 N VAL A 103 2354 1722 1273 -356 148 61 N ATOM 843 CA VAL A 103 29.725 11.095 8.697 1.00 14.65 C ANISOU 843 CA VAL A 103 2294 1606 1668 -239 272 -94 C ATOM 844 C VAL A 103 30.551 11.709 9.801 1.00 14.75 C ANISOU 844 C VAL A 103 2479 1715 1410 -296 265 11 C ATOM 845 O VAL A 103 30.173 12.773 10.350 1.00 16.65 O ANISOU 845 O VAL A 103 2817 1885 1623 -209 168 -225 O ATOM 846 CB VAL A 103 28.729 10.008 9.213 1.00 15.59 C ANISOU 846 CB VAL A 103 2265 1868 1790 -338 279 -2 C ATOM 847 CG1 VAL A 103 28.007 10.473 10.434 1.00 18.42 C ANISOU 847 CG1 VAL A 103 2865 2093 2042 -301 725 102 C ATOM 848 CG2 VAL A 103 27.768 9.680 8.078 1.00 18.40 C ANISOU 848 CG2 VAL A 103 2531 2344 2115 -717 -12 217 C ATOM 0 H VAL A 103 30.518 9.682 7.537 1.00 14.08 H new ATOM 0 HA VAL A 103 29.204 11.829 8.335 1.00 14.65 H new ATOM 0 HB VAL A 103 29.211 9.208 9.473 1.00 15.59 H new ATOM 0 HG11 VAL A 103 27.397 9.781 10.733 1.00 18.42 H new ATOM 0 HG12 VAL A 103 28.648 10.663 11.137 1.00 18.42 H new ATOM 0 HG13 VAL A 103 27.506 11.278 10.227 1.00 18.42 H new ATOM 0 HG21 VAL A 103 27.137 9.005 8.373 1.00 18.40 H new ATOM 0 HG22 VAL A 103 27.287 10.481 7.820 1.00 18.40 H new ATOM 0 HG23 VAL A 103 28.268 9.344 7.317 1.00 18.40 H new ATOM 849 N PHE A 104 31.670 11.134 10.132 1.00 14.91 N ANISOU 849 N PHE A 104 2598 1705 1360 -273 195 -80 N ATOM 850 CA PHE A 104 32.582 11.678 11.109 1.00 15.26 C ANISOU 850 CA PHE A 104 2641 1840 1317 -436 230 -67 C ATOM 851 C PHE A 104 33.024 13.082 10.662 1.00 15.68 C ANISOU 851 C PHE A 104 2779 1907 1271 -579 115 56 C ATOM 852 O PHE A 104 33.087 14.038 11.451 1.00 17.28 O ANISOU 852 O PHE A 104 3166 1884 1515 -458 262 -66 O ATOM 853 CB PHE A 104 33.768 10.758 11.297 1.00 15.69 C ANISOU 853 CB PHE A 104 2689 1999 1274 -421 133 31 C ATOM 854 CG PHE A 104 34.701 11.060 12.449 1.00 14.39 C ANISOU 854 CG PHE A 104 2612 1578 1277 -445 205 -36 C ATOM 855 CD1 PHE A 104 35.633 12.057 12.352 1.00 15.50 C ANISOU 855 CD1 PHE A 104 2607 1586 1697 -398 231 -65 C ATOM 856 CD2 PHE A 104 34.634 10.329 13.617 1.00 15.44 C ANISOU 856 CD2 PHE A 104 2800 1895 1174 -379 297 -21 C ATOM 857 CE1 PHE A 104 36.504 12.371 13.392 1.00 20.31 C ANISOU 857 CE1 PHE A 104 3486 2441 1790 -1164 138 -446 C ATOM 858 CE2 PHE A 104 35.536 10.600 14.674 1.00 17.02 C ANISOU 858 CE2 PHE A 104 2892 2292 1283 -132 144 -64 C ATOM 859 CZ PHE A 104 36.481 11.594 14.520 1.00 18.34 C ANISOU 859 CZ PHE A 104 3000 2426 1543 -303 33 -532 C ATOM 0 H PHE A 104 31.936 10.392 9.788 1.00 14.91 H new ATOM 0 HA PHE A 104 32.135 11.752 11.967 1.00 15.26 H new ATOM 0 HB2 PHE A 104 33.433 9.855 11.410 1.00 15.69 H new ATOM 0 HB3 PHE A 104 34.288 10.767 10.478 1.00 15.69 H new ATOM 0 HD1 PHE A 104 35.687 12.544 11.561 1.00 15.50 H new ATOM 0 HD2 PHE A 104 33.996 9.658 13.710 1.00 15.44 H new ATOM 0 HE1 PHE A 104 37.088 13.092 13.322 1.00 20.31 H new ATOM 0 HE2 PHE A 104 35.492 10.113 15.465 1.00 17.02 H new ATOM 0 HZ PHE A 104 37.110 11.738 15.190 1.00 18.34 H new ATOM 860 N GLN A 105 33.368 13.203 9.391 1.00 15.18 N ANISOU 860 N GLN A 105 2728 1637 1402 -408 131 69 N ATOM 861 CA GLN A 105 33.907 14.457 8.896 1.00 15.91 C ANISOU 861 CA GLN A 105 2867 1713 1465 -556 166 91 C ATOM 862 C GLN A 105 32.838 15.535 8.757 1.00 17.17 C ANISOU 862 C GLN A 105 3347 1551 1625 -353 -30 -190 C ATOM 863 O GLN A 105 33.104 16.691 9.052 1.00 19.79 O ANISOU 863 O GLN A 105 3923 1768 1828 -438 -42 -353 O ATOM 864 CB GLN A 105 34.604 14.238 7.534 1.00 15.13 C ANISOU 864 CB GLN A 105 2971 1491 1286 -665 15 1 C ATOM 865 CG GLN A 105 35.314 15.487 6.995 1.00 14.77 C ANISOU 865 CG GLN A 105 2616 1465 1533 -510 103 27 C ATOM 866 CD GLN A 105 35.961 15.293 5.657 1.00 14.87 C ANISOU 866 CD GLN A 105 2812 1487 1350 -591 -5 36 C ATOM 867 OE1 GLN A 105 35.926 14.205 5.081 1.00 14.37 O ANISOU 867 OE1 GLN A 105 2459 1535 1464 -533 -10 21 O ATOM 868 NE2 GLN A 105 36.558 16.347 5.131 1.00 16.76 N ANISOU 868 NE2 GLN A 105 3128 1670 1570 -806 87 78 N ATOM 0 H GLN A 105 33.299 12.579 8.804 1.00 15.18 H new ATOM 0 HA GLN A 105 34.552 14.766 9.551 1.00 15.91 H new ATOM 0 HB2 GLN A 105 35.251 13.521 7.623 1.00 15.13 H new ATOM 0 HB3 GLN A 105 33.944 13.946 6.886 1.00 15.13 H new ATOM 0 HG2 GLN A 105 34.671 16.210 6.931 1.00 14.77 H new ATOM 0 HG3 GLN A 105 35.990 15.764 7.633 1.00 14.77 H new ATOM 0 HE21 GLN A 105 36.566 17.094 5.557 1.00 16.76 H new ATOM 0 HE22 GLN A 105 36.939 16.286 4.362 1.00 16.76 H new ATOM 869 N MET A 106 31.654 15.171 8.242 1.00 18.18 N ANISOU 869 N MET A 106 3281 1689 1939 -172 -186 -169 N ATOM 870 CA AMET A 106 30.714 16.156 7.759 0.00 21.15 C ANISOU 870 CA AMET A 106 3466 2059 2509 49 -44 233 C ATOM 871 CA BMET A 106 30.744 16.191 7.821 1.00 20.65 C ANISOU 871 CA BMET A 106 3443 1796 2606 -30 -7 157 C ATOM 872 C MET A 106 29.388 16.098 8.512 1.00 20.45 C ANISOU 872 C MET A 106 3209 1727 2834 -230 -231 -198 C ATOM 873 O MET A 106 28.558 17.047 8.326 1.00 22.22 O ANISOU 873 O MET A 106 3686 2231 2526 267 -14 -173 O ATOM 874 CB AMET A 106 30.462 15.977 6.253 0.00 24.20 C ANISOU 874 CB AMET A 106 3692 2980 2524 70 -370 567 C ATOM 875 CB BMET A 106 30.596 16.280 6.327 1.00 23.79 C ANISOU 875 CB BMET A 106 3442 2836 2763 672 -426 237 C ATOM 876 CG AMET A 106 29.898 14.613 5.888 0.00 27.34 C ANISOU 876 CG AMET A 106 4680 3637 2073 -653 -583 297 C ATOM 877 CG BMET A 106 29.743 15.251 5.662 1.00 31.66 C ANISOU 877 CG BMET A 106 5066 4354 2608 -983 -25 -38 C ATOM 878 SD AMET A 106 29.731 14.383 4.107 0.00 41.97 S ANISOU 878 SD AMET A 106 8955 4614 2377 3953 -642 -1528 S ATOM 879 SD BMET A 106 29.923 15.346 3.808 1.00 46.32 S ANISOU 879 SD BMET A 106 10216 5118 2265 3520 -920 -315 S ATOM 880 CE AMET A 106 31.450 14.264 3.619 0.00 70.75 C ANISOU 880 CE AMET A 106 8128 18288 466 -8513 963 635 C ATOM 881 CE BMET A 106 31.579 14.888 3.618 1.00 60.73 C ANISOU 881 CE BMET A 106 3875 17907 1294 -6492 159 1099 C ATOM 0 H AMET A 106 31.389 14.356 8.169 0.00 18.18 H new ATOM 0 H BMET A 106 31.383 14.361 8.138 1.00 18.18 H new ATOM 0 HA AMET A 106 31.112 17.026 7.917 0.00 20.65 H new ATOM 0 HA BMET A 106 31.153 17.023 8.107 1.00 20.65 H new ATOM 0 HB2AMET A 106 29.847 16.664 5.952 0.00 23.79 H new ATOM 0 HB2BMET A 106 30.234 17.154 6.113 1.00 23.79 H new ATOM 0 HB3AMET A 106 31.295 16.113 5.775 0.00 23.79 H new ATOM 0 HB3BMET A 106 31.482 16.235 5.934 1.00 23.79 H new ATOM 0 HG2AMET A 106 30.476 13.922 6.247 0.00 31.66 H new ATOM 0 HG2BMET A 106 29.994 14.367 5.971 1.00 31.66 H new ATOM 0 HG3AMET A 106 29.030 14.503 6.307 0.00 31.66 H new ATOM 0 HG3BMET A 106 28.815 15.385 5.909 1.00 31.66 H new ATOM 0 HE1AMET A 106 31.506 14.135 2.659 0.00 60.73 H new ATOM 0 HE1BMET A 106 31.696 14.445 2.763 1.00 60.73 H new ATOM 0 HE2AMET A 106 31.913 15.081 3.863 0.00 60.73 H new ATOM 0 HE2BMET A 106 32.140 15.679 3.652 1.00 60.73 H new ATOM 0 HE3AMET A 106 31.863 13.511 4.070 0.00 60.73 H new ATOM 0 HE3BMET A 106 31.832 14.283 4.333 1.00 60.73 H new ATOM 882 N GLY A 107 29.135 15.104 9.332 1.00 19.61 N ANISOU 882 N GLY A 107 3102 1999 2348 72 85 -284 N ATOM 883 CA GLY A 107 27.881 14.992 10.059 1.00 20.13 C ANISOU 883 CA GLY A 107 3071 2427 2151 236 57 -420 C ATOM 884 C GLY A 107 26.828 14.217 9.274 1.00 21.06 C ANISOU 884 C GLY A 107 3132 2626 2244 -28 -80 -106 C ATOM 885 O GLY A 107 26.868 14.138 8.042 1.00 20.72 O ANISOU 885 O GLY A 107 2817 2763 2291 0 32 -372 O ATOM 0 H GLY A 107 29.689 14.465 9.488 1.00 19.61 H new ATOM 0 HA2 GLY A 107 28.039 14.550 10.908 1.00 20.13 H new ATOM 0 HA3 GLY A 107 27.545 15.879 10.259 1.00 20.13 H new ATOM 886 N AGLU A 108 25.872 13.712 10.051 0.60 23.32 N ANISOU 886 N AGLU A 108 3342 3108 2412 -149 417 -699 N ATOM 887 N BGLU A 108 25.872 13.649 9.994 0.40 23.47 N ANISOU 887 N BGLU A 108 3347 3281 2287 -297 31 -149 N ATOM 888 CA AGLU A 108 24.797 12.847 9.601 0.60 23.25 C ANISOU 888 CA AGLU A 108 3242 2910 2682 -153 -91 244 C ATOM 889 CA BGLU A 108 24.838 12.820 9.395 0.40 20.63 C ANISOU 889 CA BGLU A 108 2805 2860 2172 152 280 -304 C ATOM 890 C AGLU A 108 23.987 13.588 8.554 0.60 22.08 C ANISOU 890 C AGLU A 108 3637 2523 2229 158 252 90 C ATOM 891 C BGLU A 108 23.976 13.610 8.438 0.40 22.46 C ANISOU 891 C BGLU A 108 3169 2817 2546 330 29 -349 C ATOM 892 O AGLU A 108 23.786 13.026 7.486 0.60 26.77 O ANISOU 892 O AGLU A 108 4912 1957 3303 -255 -1229 -195 O ATOM 893 O BGLU A 108 23.687 13.133 7.347 0.40 20.87 O ANISOU 893 O BGLU A 108 2557 3260 2114 368 469 -194 O ATOM 894 CB AGLU A 108 23.916 12.366 10.771 0.60 27.03 C ANISOU 894 CB AGLU A 108 4180 3527 2564 -625 -170 669 C ATOM 895 CB BGLU A 108 23.973 12.220 10.521 0.40 26.30 C ANISOU 895 CB BGLU A 108 3726 3434 2832 -356 623 55 C ATOM 896 CG AGLU A 108 22.523 11.898 10.337 0.60 30.04 C ANISOU 896 CG AGLU A 108 4219 3195 3999 -1176 587 -249 C ATOM 897 CG BGLU A 108 24.806 11.591 11.612 0.40 31.68 C ANISOU 897 CG BGLU A 108 5783 3441 2814 -559 53 454 C ATOM 898 CD AGLU A 108 21.560 11.896 11.501 0.60 30.18 C ANISOU 898 CD AGLU A 108 4845 3394 3227 -1841 401 -481 C ATOM 899 CD BGLU A 108 25.087 12.492 12.793 0.40 31.85 C ANISOU 899 CD BGLU A 108 5951 3817 2333 -358 500 412 C ATOM 900 OE1AGLU A 108 20.315 11.822 11.368 0.60 29.17 O ANISOU 900 OE1AGLU A 108 4630 3961 2494 -522 676 -30 O ATOM 901 OE1BGLU A 108 26.098 13.218 12.822 0.40 32.26 O ANISOU 901 OE1BGLU A 108 7055 3470 1732 -1009 1622 -453 O ATOM 902 OE2AGLU A 108 22.068 11.967 12.651 0.60 34.41 O ANISOU 902 OE2AGLU A 108 5504 3923 3648 -521 -310 -388 O ATOM 903 OE2BGLU A 108 24.270 12.438 13.744 0.40 36.55 O ANISOU 903 OE2BGLU A 108 3969 4739 5180 634 1479 -1457 O ATOM 0 H AGLU A 108 25.835 13.875 10.895 0.60 23.47 H new ATOM 0 H BGLU A 108 25.804 13.734 10.847 0.40 23.47 H new ATOM 0 HA AGLU A 108 25.176 12.045 9.208 0.60 20.63 H new ATOM 0 HA BGLU A 108 25.261 12.113 8.883 0.40 20.63 H new ATOM 0 HB2AGLU A 108 24.366 11.638 11.227 0.60 26.30 H new ATOM 0 HB2BGLU A 108 23.416 12.916 10.903 0.40 26.30 H new ATOM 0 HB3AGLU A 108 23.821 13.087 11.413 0.60 26.30 H new ATOM 0 HB3BGLU A 108 23.377 11.553 10.147 0.40 26.30 H new ATOM 0 HG2AGLU A 108 22.187 12.480 9.637 0.60 31.68 H new ATOM 0 HG2BGLU A 108 24.353 10.794 11.929 0.40 31.68 H new ATOM 0 HG3AGLU A 108 22.581 11.006 9.961 0.60 31.68 H new ATOM 0 HG3BGLU A 108 25.651 11.304 11.232 0.40 31.68 H new ATOM 904 N THR A 109 23.556 14.818 8.830 1.00 26.08 N ANISOU 904 N THR A 109 3859 2955 3095 603 -247 -524 N ATOM 905 CA THR A 109 22.628 15.545 7.944 1.00 25.22 C ANISOU 905 CA THR A 109 3366 2920 3296 492 91 -225 C ATOM 906 C THR A 109 23.256 15.784 6.588 1.00 25.51 C ANISOU 906 C THR A 109 4265 2265 3160 -26 71 -396 C ATOM 907 O THR A 109 22.655 15.614 5.526 1.00 27.15 O ANISOU 907 O THR A 109 4256 2792 3268 529 -130 -286 O ATOM 908 CB THR A 109 22.127 16.842 8.665 1.00 32.05 C ANISOU 908 CB THR A 109 3706 3692 4779 1246 1080 -480 C ATOM 909 OG1 THR A 109 21.543 16.467 9.919 1.00 40.91 O ANISOU 909 OG1 THR A 109 6400 4723 4421 1719 1490 -431 O ATOM 910 CG2 THR A 109 21.091 17.582 7.831 1.00 38.07 C ANISOU 910 CG2 THR A 109 4864 4184 5415 1863 881 24 C ATOM 0 H ATHR A 109 23.789 15.258 9.531 0.60 26.08 H new ATOM 0 H BTHR A 109 23.778 15.217 9.559 0.40 26.08 H new ATOM 0 HA THR A 109 21.840 15.009 7.764 1.00 25.22 H new ATOM 0 HB THR A 109 22.883 17.436 8.796 1.00 32.05 H new ATOM 0 HG1 THR A 109 21.868 16.940 10.532 1.00 40.91 H new ATOM 0 HG21 THR A 109 20.802 18.378 8.305 1.00 38.07 H new ATOM 0 HG22 THR A 109 21.482 17.836 6.980 1.00 38.07 H new ATOM 0 HG23 THR A 109 20.328 17.004 7.676 1.00 38.07 H new ATOM 911 N GLY A 110 24.540 16.159 6.627 1.00 24.42 N ANISOU 911 N GLY A 110 4345 1993 2939 -167 303 -182 N ATOM 912 CA GLY A 110 25.310 16.481 5.430 1.00 27.40 C ANISOU 912 CA GLY A 110 5307 2036 3070 -385 519 67 C ATOM 913 C GLY A 110 25.441 15.231 4.579 1.00 24.44 C ANISOU 913 C GLY A 110 4403 2284 2598 177 275 109 C ATOM 914 O GLY A 110 25.140 15.335 3.384 1.00 26.37 O ANISOU 914 O GLY A 110 4951 2346 2723 130 -186 335 O ATOM 0 H GLY A 110 24.988 16.233 7.358 1.00 24.42 H new ATOM 0 HA2 GLY A 110 24.870 17.184 4.927 1.00 27.40 H new ATOM 0 HA3 GLY A 110 26.188 16.814 5.675 1.00 27.40 H new ATOM 915 N VAL A 111 25.868 14.117 5.146 1.00 20.36 N ANISOU 915 N VAL A 111 3069 2295 2372 -186 -153 -2 N ATOM 916 CA VAL A 111 26.006 12.932 4.271 1.00 19.52 C ANISOU 916 CA VAL A 111 2965 1977 2475 -410 90 178 C ATOM 917 C VAL A 111 24.658 12.447 3.765 1.00 19.67 C ANISOU 917 C VAL A 111 2882 2137 2455 -77 -87 -44 C ATOM 918 O VAL A 111 24.519 11.982 2.628 1.00 20.63 O ANISOU 918 O VAL A 111 3308 2199 2331 -101 -121 71 O ATOM 919 CB VAL A 111 26.743 11.828 5.011 1.00 18.42 C ANISOU 919 CB VAL A 111 2647 2246 2105 -385 101 137 C ATOM 920 CG1 VAL A 111 26.897 10.582 4.149 1.00 19.34 C ANISOU 920 CG1 VAL A 111 2954 1925 2469 -472 6 155 C ATOM 921 CG2 VAL A 111 28.108 12.300 5.511 1.00 19.92 C ANISOU 921 CG2 VAL A 111 2783 2608 2177 -761 113 82 C ATOM 0 H VAL A 111 26.074 14.012 5.974 1.00 20.36 H new ATOM 0 HA VAL A 111 26.524 13.188 3.492 1.00 19.52 H new ATOM 0 HB VAL A 111 26.202 11.597 5.782 1.00 18.42 H new ATOM 0 HG11 VAL A 111 27.370 9.899 4.649 1.00 19.34 H new ATOM 0 HG12 VAL A 111 26.020 10.251 3.899 1.00 19.34 H new ATOM 0 HG13 VAL A 111 27.399 10.802 3.349 1.00 19.34 H new ATOM 0 HG21 VAL A 111 28.551 11.574 5.977 1.00 19.92 H new ATOM 0 HG22 VAL A 111 28.651 12.578 4.757 1.00 19.92 H new ATOM 0 HG23 VAL A 111 27.990 13.048 6.117 1.00 19.92 H new ATOM 922 N ALA A 112 23.624 12.571 4.583 1.00 20.36 N ANISOU 922 N ALA A 112 2923 2179 2634 -236 3 -151 N ATOM 923 CA ALA A 112 22.263 12.176 4.144 1.00 22.20 C ANISOU 923 CA ALA A 112 2779 2415 3240 -15 -19 -322 C ATOM 924 C ALA A 112 21.757 12.969 2.954 1.00 27.03 C ANISOU 924 C ALA A 112 3204 3253 3813 904 -462 -216 C ATOM 925 O ALA A 112 20.852 12.556 2.179 1.00 31.13 O ANISOU 925 O ALA A 112 3737 4115 3976 764 -780 -485 O ATOM 926 CB ALA A 112 21.345 12.293 5.361 1.00 26.93 C ANISOU 926 CB ALA A 112 2918 3452 3862 121 391 -764 C ATOM 0 H ALA A 112 23.672 12.875 5.386 1.00 20.36 H new ATOM 0 HA ALA A 112 22.281 11.262 3.819 1.00 22.20 H new ATOM 0 HB1 ALA A 112 20.442 12.041 5.111 1.00 26.93 H new ATOM 0 HB2 ALA A 112 21.662 11.704 6.063 1.00 26.93 H new ATOM 0 HB3 ALA A 112 21.348 13.208 5.682 1.00 26.93 H new ATOM 927 N GLY A 113 22.308 14.162 2.711 1.00 26.33 N ANISOU 927 N GLY A 113 4534 2902 2568 991 -709 -200 N ATOM 928 CA GLY A 113 21.915 14.957 1.535 1.00 28.34 C ANISOU 928 CA GLY A 113 4712 3270 2787 1626 -1146 -400 C ATOM 929 C GLY A 113 22.589 14.466 0.261 1.00 26.55 C ANISOU 929 C GLY A 113 4954 2636 2497 718 -931 -200 C ATOM 930 O GLY A 113 22.237 14.992 -0.835 1.00 33.42 O ANISOU 930 O GLY A 113 7160 2821 2717 830 -1723 -232 O ATOM 0 H GLY A 113 22.906 14.529 3.208 1.00 26.33 H new ATOM 0 HA2 GLY A 113 20.952 14.917 1.426 1.00 28.34 H new ATOM 0 HA3 GLY A 113 22.145 15.888 1.683 1.00 28.34 H new ATOM 931 N PHE A 114 23.527 13.519 0.272 1.00 25.78 N ANISOU 931 N PHE A 114 5069 2437 2290 712 -190 -99 N ATOM 932 CA PHE A 114 24.199 12.969 -0.919 1.00 22.27 C ANISOU 932 CA PHE A 114 4337 2056 2069 -495 32 145 C ATOM 933 C PHE A 114 23.248 11.957 -1.560 1.00 19.96 C ANISOU 933 C PHE A 114 3611 1623 2351 -357 410 350 C ATOM 934 O PHE A 114 23.602 10.810 -1.831 1.00 19.10 O ANISOU 934 O PHE A 114 3649 1867 1742 -174 -50 244 O ATOM 935 CB PHE A 114 25.554 12.379 -0.586 1.00 21.91 C ANISOU 935 CB PHE A 114 3826 1873 2626 -861 477 92 C ATOM 936 CG PHE A 114 26.784 13.269 -0.381 1.00 22.79 C ANISOU 936 CG PHE A 114 4465 2130 2063 -1243 -111 283 C ATOM 937 CD1 PHE A 114 27.872 13.113 -1.251 1.00 21.67 C ANISOU 937 CD1 PHE A 114 3460 2115 2659 -926 -457 535 C ATOM 938 CD2 PHE A 114 26.882 14.254 0.552 1.00 30.61 C ANISOU 938 CD2 PHE A 114 6461 2445 2724 -2000 523 -148 C ATOM 939 CE1 PHE A 114 29.020 13.867 -1.169 1.00 25.83 C ANISOU 939 CE1 PHE A 114 4132 2494 3189 -1477 -532 281 C ATOM 940 CE2 PHE A 114 28.019 15.000 0.705 1.00 30.93 C ANISOU 940 CE2 PHE A 114 6209 2452 3092 -1640 -477 -209 C ATOM 941 CZ PHE A 114 29.076 14.830 -0.162 1.00 27.88 C ANISOU 941 CZ PHE A 114 5166 2439 2989 -1373 -1101 492 C ATOM 0 H PHE A 114 23.804 13.161 1.003 1.00 25.78 H new ATOM 0 HA PHE A 114 24.390 13.677 -1.554 1.00 22.27 H new ATOM 0 HB2 PHE A 114 25.444 11.859 0.225 1.00 21.91 H new ATOM 0 HB3 PHE A 114 25.772 11.755 -1.296 1.00 21.91 H new ATOM 0 HD1 PHE A 114 27.815 12.467 -1.918 1.00 21.67 H new ATOM 0 HD2 PHE A 114 26.153 14.426 1.103 1.00 30.61 H new ATOM 0 HE1 PHE A 114 29.727 13.740 -1.759 1.00 25.83 H new ATOM 0 HE2 PHE A 114 28.078 15.622 1.394 1.00 30.93 H new ATOM 0 HZ PHE A 114 29.834 15.362 -0.075 1.00 27.88 H new ATOM 942 N THR A 115 22.031 12.388 -1.871 1.00 23.11 N ANISOU 942 N THR A 115 3291 1839 3650 -392 822 402 N ATOM 943 CA THR A 115 20.977 11.438 -2.236 1.00 22.64 C ANISOU 943 CA THR A 115 3243 2189 3169 -516 870 502 C ATOM 944 C THR A 115 21.331 10.560 -3.429 1.00 21.19 C ANISOU 944 C THR A 115 3359 1992 2700 -237 454 829 C ATOM 945 O THR A 115 21.127 9.338 -3.415 1.00 21.23 O ANISOU 945 O THR A 115 3025 2040 3001 -429 572 645 O ATOM 946 CB THR A 115 19.693 12.237 -2.524 1.00 24.98 C ANISOU 946 CB THR A 115 3326 2546 3619 -267 824 404 C ATOM 947 OG1 THR A 115 19.390 13.052 -1.378 1.00 30.24 O ANISOU 947 OG1 THR A 115 4580 2537 4371 -58 1588 187 O ATOM 948 CG2 THR A 115 18.460 11.343 -2.754 1.00 29.09 C ANISOU 948 CG2 THR A 115 3323 2628 5102 -293 419 875 C ATOM 0 H THR A 115 21.793 13.214 -1.878 1.00 23.11 H new ATOM 0 HA THR A 115 20.855 10.828 -1.492 1.00 22.64 H new ATOM 0 HB THR A 115 19.864 12.751 -3.329 1.00 24.98 H new ATOM 0 HG1 THR A 115 19.328 12.565 -0.696 1.00 30.24 H new ATOM 0 HG21 THR A 115 17.685 11.899 -2.930 1.00 29.09 H new ATOM 0 HG22 THR A 115 18.619 10.761 -3.514 1.00 29.09 H new ATOM 0 HG23 THR A 115 18.298 10.805 -1.963 1.00 29.09 H new ATOM 949 N ASN A 116 21.905 11.148 -4.495 1.00 20.66 N ANISOU 949 N ASN A 116 2908 2476 2466 -694 61 790 N ATOM 950 CA ASN A 116 22.187 10.370 -5.695 1.00 20.12 C ANISOU 950 CA ASN A 116 2724 2596 2325 -537 -115 832 C ATOM 951 C ASN A 116 23.357 9.443 -5.437 1.00 18.18 C ANISOU 951 C ASN A 116 2640 2156 2112 -824 -286 743 C ATOM 952 O ASN A 116 23.310 8.319 -5.920 1.00 18.29 O ANISOU 952 O ASN A 116 2596 2498 1853 -736 -34 320 O ATOM 953 CB ASN A 116 22.400 11.327 -6.876 1.00 20.39 C ANISOU 953 CB ASN A 116 2752 2590 2404 -505 -205 932 C ATOM 954 CG ASN A 116 21.215 12.246 -7.100 1.00 22.59 C ANISOU 954 CG ASN A 116 2786 2562 3234 -534 -409 961 C ATOM 955 OD1 ASN A 116 20.051 11.778 -7.076 1.00 29.25 O ANISOU 955 OD1 ASN A 116 2727 3235 5153 -556 -207 1247 O ATOM 956 ND2 ASN A 116 21.421 13.546 -7.304 1.00 22.35 N ANISOU 956 ND2 ASN A 116 3353 2485 2652 -354 -36 700 N ATOM 0 H ASN A 116 22.131 11.977 -4.535 1.00 20.66 H new ATOM 0 HA ASN A 116 21.437 9.801 -5.929 1.00 20.12 H new ATOM 0 HB2 ASN A 116 23.194 11.861 -6.717 1.00 20.39 H new ATOM 0 HB3 ASN A 116 22.562 10.811 -7.681 1.00 20.39 H new ATOM 0 HD21 ASN A 116 20.752 14.074 -7.421 1.00 22.35 H new ATOM 0 HD22 ASN A 116 22.223 13.857 -7.319 1.00 22.35 H new ATOM 957 N SER A 117 24.389 9.877 -4.731 1.00 17.45 N ANISOU 957 N SER A 117 2592 2102 1936 -719 -71 549 N ATOM 958 CA SER A 117 25.502 8.990 -4.443 1.00 16.69 C ANISOU 958 CA SER A 117 2461 2014 1866 -677 -72 290 C ATOM 959 C SER A 117 25.061 7.797 -3.588 1.00 16.12 C ANISOU 959 C SER A 117 2516 1798 1811 -532 55 103 C ATOM 960 O SER A 117 25.490 6.657 -3.820 1.00 16.01 O ANISOU 960 O SER A 117 2413 1941 1729 -377 -74 73 O ATOM 961 CB SER A 117 26.669 9.673 -3.706 1.00 18.29 C ANISOU 961 CB SER A 117 2762 2029 2159 -860 -325 373 C ATOM 962 OG SER A 117 27.188 10.780 -4.470 1.00 25.42 O ANISOU 962 OG SER A 117 3555 3149 2956 -1718 -714 1070 O ATOM 0 H SER A 117 24.465 10.672 -4.413 1.00 17.45 H new ATOM 0 HA SER A 117 25.811 8.702 -5.316 1.00 16.69 H new ATOM 0 HB2 SER A 117 26.368 9.987 -2.839 1.00 18.29 H new ATOM 0 HB3 SER A 117 27.375 9.028 -3.545 1.00 18.29 H new ATOM 0 HG SER A 117 26.896 10.739 -5.257 1.00 25.42 H new ATOM 963 N LEU A 118 24.203 8.089 -2.606 1.00 16.20 N ANISOU 963 N LEU A 118 2885 1737 1533 -460 71 229 N ATOM 964 CA LEU A 118 23.719 7.037 -1.712 1.00 16.73 C ANISOU 964 CA LEU A 118 3041 1670 1645 -564 161 180 C ATOM 965 C LEU A 118 22.923 6.004 -2.507 1.00 16.72 C ANISOU 965 C LEU A 118 2960 1843 1549 -587 316 187 C ATOM 966 O LEU A 118 23.061 4.802 -2.250 1.00 17.28 O ANISOU 966 O LEU A 118 3114 1700 1753 -634 327 71 O ATOM 967 CB LEU A 118 22.885 7.617 -0.607 1.00 18.57 C ANISOU 967 CB LEU A 118 3410 1961 1683 -435 329 125 C ATOM 968 CG LEU A 118 23.617 8.505 0.387 1.00 20.78 C ANISOU 968 CG LEU A 118 4265 1903 1727 -393 228 -1 C ATOM 969 CD1 LEU A 118 22.583 9.221 1.262 1.00 25.85 C ANISOU 969 CD1 LEU A 118 5278 2471 2073 -250 868 -266 C ATOM 970 CD2 LEU A 118 24.610 7.744 1.278 1.00 24.04 C ANISOU 970 CD2 LEU A 118 5041 2362 1729 -438 -427 -12 C ATOM 0 H LEU A 118 23.895 8.875 -2.444 1.00 16.20 H new ATOM 0 HA LEU A 118 24.483 6.597 -1.307 1.00 16.73 H new ATOM 0 HB2 LEU A 118 22.166 8.132 -1.005 1.00 18.57 H new ATOM 0 HB3 LEU A 118 22.474 6.886 -0.119 1.00 18.57 H new ATOM 0 HG LEU A 118 24.143 9.137 -0.127 1.00 20.78 H new ATOM 0 HD11 LEU A 118 23.039 9.791 1.901 1.00 25.85 H new ATOM 0 HD12 LEU A 118 22.004 9.762 0.702 1.00 25.85 H new ATOM 0 HD13 LEU A 118 22.051 8.564 1.738 1.00 25.85 H new ATOM 0 HD21 LEU A 118 25.041 8.365 1.886 1.00 24.04 H new ATOM 0 HD22 LEU A 118 24.136 7.069 1.788 1.00 24.04 H new ATOM 0 HD23 LEU A 118 25.281 7.317 0.723 1.00 24.04 H new ATOM 971 N ARG A 119 22.128 6.456 -3.459 1.00 17.74 N ANISOU 971 N ARG A 119 2755 2172 1812 -427 133 43 N ATOM 972 CA ARG A 119 21.337 5.515 -4.276 1.00 18.31 C ANISOU 972 CA ARG A 119 2681 2294 1981 -660 180 131 C ATOM 973 C ARG A 119 22.300 4.634 -5.061 1.00 16.72 C ANISOU 973 C ARG A 119 2641 2060 1651 -662 -25 193 C ATOM 974 O ARG A 119 22.143 3.404 -5.113 1.00 17.48 O ANISOU 974 O ARG A 119 2632 2134 1875 -692 -20 177 O ATOM 975 CB ARG A 119 20.363 6.282 -5.174 1.00 20.36 C ANISOU 975 CB ARG A 119 2092 2927 2716 -639 35 218 C ATOM 976 CG ARG A 119 19.568 5.364 -6.126 1.00 23.62 C ANISOU 976 CG ARG A 119 2773 3435 2765 -1038 -305 322 C ATOM 977 CD ARG A 119 18.710 6.183 -7.115 1.00 31.18 C ANISOU 977 CD ARG A 119 4979 3154 3712 -1677 -1815 731 C ATOM 978 NE ARG A 119 19.491 6.893 -8.065 1.00 44.63 N ANISOU 978 NE ARG A 119 8246 4385 4326 -2668 -1340 1669 N ATOM 979 CZ ARG A 119 19.693 8.159 -8.216 1.00 54.34 C ANISOU 979 CZ ARG A 119 11850 4458 4340 -3285 142 1259 C ATOM 980 NH1 ARG A 119 19.133 9.068 -7.413 1.00 38.88 N ANISOU 980 NH1 ARG A 119 4198 4605 5969 -1641 -2550 1594 N ATOM 981 NH2 ARG A 119 20.490 8.621 -9.206 1.00 79.32 N ANISOU 981 NH2 ARG A 119 15025 5813 9300 -6804 4294 -823 N ATOM 0 H ARG A 119 22.024 7.287 -3.656 1.00 17.74 H new ATOM 0 HA ARG A 119 20.792 4.941 -3.714 1.00 18.31 H new ATOM 0 HB2 ARG A 119 19.742 6.779 -4.619 1.00 20.36 H new ATOM 0 HB3 ARG A 119 20.857 6.932 -5.698 1.00 20.36 H new ATOM 0 HG2 ARG A 119 20.182 4.798 -6.620 1.00 23.62 H new ATOM 0 HG3 ARG A 119 18.995 4.777 -5.608 1.00 23.62 H new ATOM 0 HD2 ARG A 119 18.104 5.586 -7.582 1.00 31.18 H new ATOM 0 HD3 ARG A 119 18.163 6.811 -6.618 1.00 31.18 H new ATOM 0 HE ARG A 119 19.898 6.396 -8.636 1.00 44.63 H new ATOM 0 HH11 ARG A 119 18.619 8.816 -6.771 1.00 38.88 H new ATOM 0 HH12 ARG A 119 19.286 9.905 -7.538 1.00 38.88 H new ATOM 0 HH21 ARG A 119 20.870 8.069 -9.745 1.00 79.32 H new ATOM 0 HH22 ARG A 119 20.617 9.467 -9.297 1.00 79.32 H new ATOM 982 N MET A 120 23.329 5.209 -5.679 1.00 15.70 N ANISOU 982 N MET A 120 2334 1989 1643 -484 -149 242 N ATOM 983 CA MET A 120 24.311 4.423 -6.426 1.00 15.91 C ANISOU 983 CA MET A 120 2523 1996 1526 -593 -115 265 C ATOM 984 C MET A 120 25.033 3.404 -5.565 1.00 14.72 C ANISOU 984 C MET A 120 2344 1863 1387 -608 -176 68 C ATOM 985 O MET A 120 25.257 2.281 -6.009 1.00 15.86 O ANISOU 985 O MET A 120 2797 1852 1376 -539 -103 30 O ATOM 986 CB MET A 120 25.271 5.330 -7.170 1.00 15.64 C ANISOU 986 CB MET A 120 2462 2012 1467 -562 -41 151 C ATOM 987 CG MET A 120 24.575 6.204 -8.212 1.00 17.65 C ANISOU 987 CG MET A 120 3288 1976 1444 -906 -314 310 C ATOM 988 SD MET A 120 25.773 7.350 -8.948 1.00 20.01 S ANISOU 988 SD MET A 120 3087 2557 1958 -865 -155 535 S ATOM 989 CE MET A 120 24.616 8.526 -9.640 1.00 25.38 C ANISOU 989 CE MET A 120 3993 2046 3602 -489 254 1048 C ATOM 0 H MET A 120 23.478 6.056 -5.678 1.00 15.70 H new ATOM 0 HA MET A 120 23.821 3.904 -7.083 1.00 15.91 H new ATOM 0 HB2 MET A 120 25.731 5.898 -6.533 1.00 15.64 H new ATOM 0 HB3 MET A 120 25.947 4.789 -7.607 1.00 15.64 H new ATOM 0 HG2 MET A 120 24.180 5.648 -8.902 1.00 17.65 H new ATOM 0 HG3 MET A 120 23.851 6.700 -7.799 1.00 17.65 H new ATOM 0 HE1 MET A 120 25.104 9.235 -10.088 1.00 25.38 H new ATOM 0 HE2 MET A 120 24.040 8.076 -10.278 1.00 25.38 H new ATOM 0 HE3 MET A 120 24.076 8.905 -8.929 1.00 25.38 H new ATOM 990 N LEU A 121 25.381 3.789 -4.366 1.00 14.65 N ANISOU 990 N LEU A 121 2531 1662 1374 -533 -94 101 N ATOM 991 CA LEU A 121 25.986 2.844 -3.439 1.00 14.87 C ANISOU 991 CA LEU A 121 2564 1789 1296 -673 -217 221 C ATOM 992 C LEU A 121 25.019 1.693 -3.087 1.00 14.98 C ANISOU 992 C LEU A 121 2624 1623 1445 -588 -286 179 C ATOM 993 O LEU A 121 25.407 0.549 -3.075 1.00 15.83 O ANISOU 993 O LEU A 121 2957 1617 1440 -491 -83 116 O ATOM 994 CB LEU A 121 26.459 3.544 -2.153 1.00 15.78 C ANISOU 994 CB LEU A 121 2881 1589 1526 -551 -245 -50 C ATOM 995 CG LEU A 121 27.608 4.531 -2.339 1.00 15.54 C ANISOU 995 CG LEU A 121 2917 1420 1566 -527 -205 -6 C ATOM 996 CD1 LEU A 121 27.793 5.359 -1.056 1.00 17.87 C ANISOU 996 CD1 LEU A 121 3287 2070 1431 -718 -372 -156 C ATOM 997 CD2 LEU A 121 28.893 3.820 -2.717 1.00 16.66 C ANISOU 997 CD2 LEU A 121 2729 1703 1896 -541 -399 -108 C ATOM 0 H LEU A 121 25.281 4.586 -4.060 1.00 14.65 H new ATOM 0 HA LEU A 121 26.759 2.467 -3.888 1.00 14.87 H new ATOM 0 HB2 LEU A 121 25.706 4.015 -1.762 1.00 15.78 H new ATOM 0 HB3 LEU A 121 26.733 2.867 -1.515 1.00 15.78 H new ATOM 0 HG LEU A 121 27.386 5.128 -3.070 1.00 15.54 H new ATOM 0 HD11 LEU A 121 28.524 5.985 -1.177 1.00 17.87 H new ATOM 0 HD12 LEU A 121 26.977 5.848 -0.866 1.00 17.87 H new ATOM 0 HD13 LEU A 121 27.995 4.767 -0.315 1.00 17.87 H new ATOM 0 HD21 LEU A 121 29.603 4.472 -2.828 1.00 16.66 H new ATOM 0 HD22 LEU A 121 29.135 3.195 -2.016 1.00 16.66 H new ATOM 0 HD23 LEU A 121 28.764 3.338 -3.549 1.00 16.66 H new ATOM 998 N GLN A 122 23.763 2.047 -2.777 1.00 15.99 N ANISOU 998 N GLN A 122 2698 1758 1619 -644 33 95 N ATOM 999 CA GLN A 122 22.764 1.008 -2.501 1.00 17.50 C ANISOU 999 CA GLN A 122 2767 2060 1823 -806 -13 91 C ATOM 1000 C GLN A 122 22.629 0.044 -3.661 1.00 17.03 C ANISOU 1000 C GLN A 122 2611 2163 1697 -1135 150 187 C ATOM 1001 O GLN A 122 22.396 -1.173 -3.486 1.00 19.66 O ANISOU 1001 O GLN A 122 3343 2116 2010 -1124 326 87 O ATOM 1002 CB GLN A 122 21.441 1.699 -2.173 1.00 23.32 C ANISOU 1002 CB GLN A 122 2795 2919 3145 -783 367 -419 C ATOM 1003 CG GLN A 122 20.327 0.682 -1.900 1.00 34.27 C ANISOU 1003 CG GLN A 122 3656 4697 4666 -1628 1618 443 C ATOM 1004 CD GLN A 122 19.908 0.742 -0.450 1.00 47.67 C ANISOU 1004 CD GLN A 122 7195 6717 4200 -4419 1386 -337 C ATOM 1005 OE1 GLN A 122 19.653 1.938 0.055 1.00 65.46 O flip ANISOU 1005 OE1 GLN A 122 11508 7833 5530 -4595 3790 638 O ATOM 1006 NE2 GLN A 122 19.778 -0.298 0.213 1.00 48.77 N flip ANISOU 1006 NE2 GLN A 122 6174 7813 4543 -3253 2290 -896 N ATOM 0 H GLN A 122 23.478 2.856 -2.723 1.00 15.99 H new ATOM 0 HA GLN A 122 23.045 0.472 -1.743 1.00 17.50 H new ATOM 0 HB2 GLN A 122 21.557 2.270 -1.397 1.00 23.32 H new ATOM 0 HB3 GLN A 122 21.183 2.273 -2.911 1.00 23.32 H new ATOM 0 HG2 GLN A 122 19.565 0.866 -2.471 1.00 34.27 H new ATOM 0 HG3 GLN A 122 20.635 -0.212 -2.118 1.00 34.27 H new ATOM 0 HE21 GLN A 122 19.952 -1.061 -0.145 1.00 48.77 H new ATOM 0 HE22 GLN A 122 19.514 -0.257 1.030 1.00 48.77 H new ATOM 1007 N GLN A 123 22.720 0.555 -4.877 1.00 16.72 N ANISOU 1007 N GLN A 123 2600 1972 1778 -863 -59 118 N ATOM 1008 CA GLN A 123 22.610 -0.225 -6.101 1.00 17.78 C ANISOU 1008 CA GLN A 123 2488 2536 1730 -853 -211 20 C ATOM 1009 C GLN A 123 23.895 -0.997 -6.420 1.00 16.79 C ANISOU 1009 C GLN A 123 2550 2179 1652 -811 -192 21 C ATOM 1010 O GLN A 123 23.903 -1.800 -7.374 1.00 18.02 O ANISOU 1010 O GLN A 123 2736 2261 1848 -997 -288 -151 O ATOM 1011 CB GLN A 123 22.220 0.686 -7.254 1.00 18.84 C ANISOU 1011 CB GLN A 123 3001 2319 1838 -410 -255 -114 C ATOM 1012 CG GLN A 123 20.852 1.338 -7.216 1.00 21.44 C ANISOU 1012 CG GLN A 123 3059 2418 2669 -360 -384 -141 C ATOM 1013 CD GLN A 123 20.612 2.297 -8.351 1.00 24.67 C ANISOU 1013 CD GLN A 123 3863 2170 3341 -244 -1036 13 C ATOM 1014 OE1 GLN A 123 21.545 3.186 -8.619 1.00 32.97 O flip ANISOU 1014 OE1 GLN A 123 4614 3750 4162 -792 -1941 541 O ATOM 1015 NE2 GLN A 123 19.620 2.391 -9.053 1.00 24.36 N flip ANISOU 1015 NE2 GLN A 123 3723 3129 2401 -234 -794 489 N ATOM 0 H GLN A 123 22.852 1.393 -5.020 1.00 16.72 H new ATOM 0 HA GLN A 123 21.917 -0.891 -5.969 1.00 17.78 H new ATOM 0 HB2 GLN A 123 22.883 1.391 -7.313 1.00 18.84 H new ATOM 0 HB3 GLN A 123 22.281 0.170 -8.073 1.00 18.84 H new ATOM 0 HG2 GLN A 123 20.172 0.647 -7.237 1.00 21.44 H new ATOM 0 HG3 GLN A 123 20.750 1.811 -6.375 1.00 21.44 H new ATOM 0 HE21 GLN A 123 18.962 1.848 -8.943 1.00 24.36 H new ATOM 0 HE22 GLN A 123 19.578 3.001 -9.658 1.00 24.36 H new ATOM 1016 N LYS A 124 24.974 -0.768 -5.670 1.00 15.66 N ANISOU 1016 N LYS A 124 2679 1741 1530 -694 -258 -2 N ATOM 1017 CA LYS A 124 26.270 -1.395 -5.871 1.00 15.35 C ANISOU 1017 CA LYS A 124 2483 1768 1582 -904 -139 164 C ATOM 1018 C LYS A 124 26.818 -1.083 -7.248 1.00 15.84 C ANISOU 1018 C LYS A 124 2887 1716 1417 -850 -210 -22 C ATOM 1019 O LYS A 124 27.500 -1.893 -7.890 1.00 17.28 O ANISOU 1019 O LYS A 124 3331 1761 1475 -660 -114 -31 O ATOM 1020 CB LYS A 124 26.258 -2.925 -5.616 1.00 16.22 C ANISOU 1020 CB LYS A 124 2907 1679 1576 -692 15 -34 C ATOM 1021 CG LYS A 124 25.710 -3.187 -4.192 1.00 17.24 C ANISOU 1021 CG LYS A 124 3348 1685 1517 -860 -101 275 C ATOM 1022 CD LYS A 124 25.996 -4.611 -3.705 1.00 17.64 C ANISOU 1022 CD LYS A 124 2736 1653 2312 -639 -135 282 C ATOM 1023 CE LYS A 124 25.553 -4.821 -2.276 1.00 22.32 C ANISOU 1023 CE LYS A 124 4268 2045 2167 -1319 -516 837 C ATOM 1024 NZ LYS A 124 26.328 -4.061 -1.346 1.00 21.71 N ANISOU 1024 NZ LYS A 124 3513 2347 2390 -580 -318 246 N ATOM 0 H LYS A 124 24.965 -0.221 -5.006 1.00 15.66 H new ATOM 0 HA LYS A 124 26.861 -1.011 -5.204 1.00 15.35 H new ATOM 0 HB2 LYS A 124 25.705 -3.372 -6.276 1.00 16.22 H new ATOM 0 HB3 LYS A 124 27.153 -3.287 -5.704 1.00 16.22 H new ATOM 0 HG2 LYS A 124 26.106 -2.552 -3.575 1.00 17.24 H new ATOM 0 HG3 LYS A 124 24.753 -3.032 -4.184 1.00 17.24 H new ATOM 0 HD2 LYS A 124 25.541 -5.246 -4.280 1.00 17.64 H new ATOM 0 HD3 LYS A 124 26.946 -4.792 -3.778 1.00 17.64 H new ATOM 0 HE2 LYS A 124 24.619 -4.575 -2.191 1.00 22.32 H new ATOM 0 HE3 LYS A 124 25.620 -5.763 -2.055 1.00 22.32 H new ATOM 0 HZ1 LYS A 124 26.135 -4.320 -0.517 1.00 21.71 H new ATOM 0 HZ2 LYS A 124 27.194 -4.193 -1.504 1.00 21.71 H new ATOM 0 HZ3 LYS A 124 26.138 -3.196 -1.438 1.00 21.71 H new ATOM 1025 N ARG A 125 26.603 0.150 -7.697 1.00 14.68 N ANISOU 1025 N ARG A 125 2528 1806 1243 -661 -48 -22 N ATOM 1026 CA ARG A 125 27.118 0.716 -8.929 1.00 15.05 C ANISOU 1026 CA ARG A 125 2475 1784 1461 -681 -96 54 C ATOM 1027 C ARG A 125 28.380 1.500 -8.559 1.00 14.24 C ANISOU 1027 C ARG A 125 2347 1825 1240 -640 -9 -48 C ATOM 1028 O ARG A 125 28.394 2.714 -8.441 1.00 15.81 O ANISOU 1028 O ARG A 125 2703 1765 1538 -717 -105 106 O ATOM 1029 CB ARG A 125 26.099 1.591 -9.646 1.00 15.69 C ANISOU 1029 CB ARG A 125 2457 1863 1640 -730 -254 110 C ATOM 1030 CG ARG A 125 24.905 0.748 -10.135 1.00 18.14 C ANISOU 1030 CG ARG A 125 2489 2696 1706 -1060 -171 62 C ATOM 1031 CD ARG A 125 23.826 1.564 -10.771 1.00 22.32 C ANISOU 1031 CD ARG A 125 2685 3666 2130 -1002 -557 517 C ATOM 1032 NE ARG A 125 22.720 0.662 -11.131 1.00 22.30 N ANISOU 1032 NE ARG A 125 2649 3622 2202 -798 -498 96 N ATOM 1033 CZ ARG A 125 21.710 1.044 -11.883 1.00 27.51 C ANISOU 1033 CZ ARG A 125 2760 3862 3831 -838 -1083 384 C ATOM 1034 NH1 ARG A 125 21.683 2.296 -12.345 1.00 32.06 N ANISOU 1034 NH1 ARG A 125 4149 4116 3918 -675 -1459 816 N ATOM 1035 NH2 ARG A 125 20.777 0.166 -12.136 1.00 32.38 N ANISOU 1035 NH2 ARG A 125 3320 4023 4958 -810 -1613 -892 N ATOM 0 H ARG A 125 26.121 0.711 -7.258 1.00 14.68 H new ATOM 0 HA ARG A 125 27.322 0.008 -9.560 1.00 15.05 H new ATOM 0 HB2 ARG A 125 25.786 2.287 -9.048 1.00 15.69 H new ATOM 0 HB3 ARG A 125 26.519 2.033 -10.400 1.00 15.69 H new ATOM 0 HG2 ARG A 125 25.222 0.089 -10.772 1.00 18.14 H new ATOM 0 HG3 ARG A 125 24.533 0.260 -9.384 1.00 18.14 H new ATOM 0 HD2 ARG A 125 23.517 2.251 -10.160 1.00 22.32 H new ATOM 0 HD3 ARG A 125 24.164 2.016 -11.560 1.00 22.32 H new ATOM 0 HE ARG A 125 22.734 -0.147 -10.838 1.00 22.30 H new ATOM 0 HH11 ARG A 125 22.320 2.840 -12.150 1.00 32.06 H new ATOM 0 HH12 ARG A 125 21.029 2.559 -12.838 1.00 32.06 H new ATOM 0 HH21 ARG A 125 20.836 -0.629 -11.814 1.00 32.38 H new ATOM 0 HH22 ARG A 125 20.103 0.383 -12.624 1.00 32.38 H new ATOM 1036 N TRP A 126 29.445 0.770 -8.232 1.00 15.42 N ANISOU 1036 N TRP A 126 2515 1914 1432 -584 -201 -129 N ATOM 1037 CA TRP A 126 30.583 1.346 -7.508 1.00 15.56 C ANISOU 1037 CA TRP A 126 2614 1808 1490 -658 -268 20 C ATOM 1038 C TRP A 126 31.339 2.418 -8.308 1.00 15.14 C ANISOU 1038 C TRP A 126 2379 1893 1480 -584 -42 -119 C ATOM 1039 O TRP A 126 31.703 3.447 -7.723 1.00 16.04 O ANISOU 1039 O TRP A 126 2596 1816 1681 -647 84 -210 O ATOM 1040 CB TRP A 126 31.551 0.255 -7.090 1.00 16.29 C ANISOU 1040 CB TRP A 126 2493 1970 1724 -674 -252 113 C ATOM 1041 CG TRP A 126 30.946 -0.848 -6.268 1.00 15.28 C ANISOU 1041 CG TRP A 126 2488 1709 1608 -591 -41 -72 C ATOM 1042 CD1 TRP A 126 31.059 -2.197 -6.585 1.00 15.88 C ANISOU 1042 CD1 TRP A 126 2843 1792 1400 -546 -156 -105 C ATOM 1043 CD2 TRP A 126 30.186 -0.787 -5.071 1.00 14.51 C ANISOU 1043 CD2 TRP A 126 2307 1813 1393 -349 -339 -34 C ATOM 1044 NE1 TRP A 126 30.407 -2.936 -5.638 1.00 16.12 N ANISOU 1044 NE1 TRP A 126 3022 1789 1312 -623 -266 -49 N ATOM 1045 CE2 TRP A 126 29.865 -2.114 -4.711 1.00 15.57 C ANISOU 1045 CE2 TRP A 126 2862 1794 1260 -713 -267 -113 C ATOM 1046 CE3 TRP A 126 29.702 0.231 -4.238 1.00 15.84 C ANISOU 1046 CE3 TRP A 126 2707 1793 1517 -537 -83 -129 C ATOM 1047 CZ2 TRP A 126 29.110 -2.383 -3.559 1.00 16.14 C ANISOU 1047 CZ2 TRP A 126 2653 2087 1393 -631 -266 -108 C ATOM 1048 CZ3 TRP A 126 28.970 -0.062 -3.116 1.00 16.52 C ANISOU 1048 CZ3 TRP A 126 2715 2048 1515 -510 -62 -102 C ATOM 1049 CH2 TRP A 126 28.660 -1.372 -2.763 1.00 16.55 C ANISOU 1049 CH2 TRP A 126 2634 2084 1568 -850 -145 -240 C ATOM 0 H TRP A 126 29.530 -0.065 -8.420 1.00 15.42 H new ATOM 0 HA TRP A 126 30.209 1.784 -6.727 1.00 15.56 H new ATOM 0 HB2 TRP A 126 31.945 -0.132 -7.887 1.00 16.29 H new ATOM 0 HB3 TRP A 126 32.274 0.658 -6.584 1.00 16.29 H new ATOM 0 HD1 TRP A 126 31.507 -2.542 -7.324 1.00 15.88 H new ATOM 0 HE1 TRP A 126 30.350 -3.794 -5.632 1.00 16.12 H new ATOM 0 HE3 TRP A 126 29.880 1.119 -4.449 1.00 15.84 H new ATOM 0 HZ2 TRP A 126 28.914 -3.264 -3.335 1.00 16.14 H new ATOM 0 HZ3 TRP A 126 28.672 0.634 -2.576 1.00 16.52 H new ATOM 0 HH2 TRP A 126 28.158 -1.553 -2.002 1.00 16.55 H new ATOM 1050 N ASP A 127 31.559 2.181 -9.581 1.00 16.15 N ANISOU 1050 N ASP A 127 2783 1907 1447 -630 -60 -114 N ATOM 1051 CA ASP A 127 32.321 3.154 -10.346 1.00 15.72 C ANISOU 1051 CA ASP A 127 2567 1979 1426 -603 -42 -117 C ATOM 1052 C ASP A 127 31.471 4.429 -10.513 1.00 14.82 C ANISOU 1052 C ASP A 127 2573 1964 1095 -639 -123 -59 C ATOM 1053 O ASP A 127 31.982 5.560 -10.407 1.00 16.80 O ANISOU 1053 O ASP A 127 2869 1947 1568 -758 -46 -57 O ATOM 1054 CB ASP A 127 32.802 2.654 -11.693 1.00 18.01 C ANISOU 1054 CB ASP A 127 3004 2093 1746 -763 264 -370 C ATOM 1055 CG ASP A 127 34.019 1.754 -11.652 1.00 20.02 C ANISOU 1055 CG ASP A 127 3590 1951 2065 -385 465 -401 C ATOM 1056 OD1 ASP A 127 34.310 1.130 -10.589 1.00 21.30 O ANISOU 1056 OD1 ASP A 127 3419 2405 2271 -445 54 -390 O ATOM 1057 OD2 ASP A 127 34.676 1.600 -12.702 1.00 23.60 O ANISOU 1057 OD2 ASP A 127 3770 2447 2749 -425 1064 -237 O ATOM 0 H ASP A 127 31.289 1.489 -10.015 1.00 16.15 H new ATOM 0 HA ASP A 127 33.130 3.338 -9.843 1.00 15.72 H new ATOM 0 HB2 ASP A 127 32.076 2.173 -12.121 1.00 18.01 H new ATOM 0 HB3 ASP A 127 33.003 3.420 -12.253 1.00 18.01 H new ATOM 1058 N GLU A 128 30.203 4.245 -10.784 1.00 16.51 N ANISOU 1058 N GLU A 128 2512 2418 1342 -579 -87 -211 N ATOM 1059 CA GLU A 128 29.256 5.355 -10.918 1.00 15.87 C ANISOU 1059 CA GLU A 128 2443 2165 1422 -744 -79 -195 C ATOM 1060 C GLU A 128 29.148 6.156 -9.608 1.00 14.88 C ANISOU 1060 C GLU A 128 2453 1860 1342 -791 3 43 C ATOM 1061 O GLU A 128 29.188 7.406 -9.629 1.00 16.33 O ANISOU 1061 O GLU A 128 2920 1876 1410 -925 -222 95 O ATOM 1062 CB GLU A 128 27.866 4.904 -11.373 1.00 16.95 C ANISOU 1062 CB GLU A 128 2576 2152 1711 -672 -353 -79 C ATOM 1063 CG GLU A 128 27.870 4.396 -12.808 1.00 21.31 C ANISOU 1063 CG GLU A 128 3872 2567 1658 -1076 -641 -97 C ATOM 1064 CD GLU A 128 26.609 3.747 -13.251 1.00 27.58 C ANISOU 1064 CD GLU A 128 4485 3066 2929 -1538 -1168 -263 C ATOM 1065 OE1 GLU A 128 26.608 2.500 -13.217 1.00 35.82 O ANISOU 1065 OE1 GLU A 128 5769 2924 4916 -1911 167 -1257 O ATOM 1066 OE2 GLU A 128 25.647 4.410 -13.696 1.00 41.13 O ANISOU 1066 OE2 GLU A 128 3572 5319 6737 -1603 -1220 1360 O ATOM 0 H GLU A 128 29.850 3.469 -10.899 1.00 16.51 H new ATOM 0 HA GLU A 128 29.614 5.928 -11.614 1.00 15.87 H new ATOM 0 HB2 GLU A 128 27.546 4.203 -10.784 1.00 16.95 H new ATOM 0 HB3 GLU A 128 27.245 5.645 -11.295 1.00 16.95 H new ATOM 0 HG2 GLU A 128 28.059 5.141 -13.400 1.00 21.31 H new ATOM 0 HG3 GLU A 128 28.597 3.762 -12.910 1.00 21.31 H new ATOM 1067 N ALA A 129 29.068 5.478 -8.494 1.00 14.59 N ANISOU 1067 N ALA A 129 2442 1751 1350 -670 -25 -42 N ATOM 1068 CA ALA A 129 29.021 6.122 -7.192 1.00 14.59 C ANISOU 1068 CA ALA A 129 2345 1891 1307 -671 -58 37 C ATOM 1069 C ALA A 129 30.265 6.971 -6.977 1.00 13.99 C ANISOU 1069 C ALA A 129 2275 1680 1361 -571 -170 -2 C ATOM 1070 O ALA A 129 30.184 8.103 -6.492 1.00 15.27 O ANISOU 1070 O ALA A 129 2600 1787 1414 -527 -51 -60 O ATOM 1071 CB ALA A 129 28.868 5.087 -6.100 1.00 16.11 C ANISOU 1071 CB ALA A 129 2940 1772 1409 -723 -75 94 C ATOM 0 H ALA A 129 29.038 4.619 -8.461 1.00 14.59 H new ATOM 0 HA ALA A 129 28.249 6.709 -7.159 1.00 14.59 H new ATOM 0 HB1 ALA A 129 28.838 5.529 -5.237 1.00 16.11 H new ATOM 0 HB2 ALA A 129 28.046 4.590 -6.237 1.00 16.11 H new ATOM 0 HB3 ALA A 129 29.622 4.477 -6.124 1.00 16.11 H new ATOM 1072 N ALA A 130 31.429 6.386 -7.301 1.00 14.90 N ANISOU 1072 N ALA A 130 2331 1790 1541 -596 -172 -49 N ATOM 1073 CA ALA A 130 32.701 7.080 -7.122 1.00 15.21 C ANISOU 1073 CA ALA A 130 2189 2032 1557 -521 -116 82 C ATOM 1074 C ALA A 130 32.741 8.360 -7.932 1.00 14.86 C ANISOU 1074 C ALA A 130 2353 1870 1423 -602 -151 -75 C ATOM 1075 O ALA A 130 33.210 9.406 -7.451 1.00 16.44 O ANISOU 1075 O ALA A 130 2608 2000 1637 -723 -139 -174 O ATOM 1076 CB ALA A 130 33.871 6.149 -7.412 1.00 17.02 C ANISOU 1076 CB ALA A 130 2384 2149 1933 -353 -163 -102 C ATOM 0 H ALA A 130 31.497 5.592 -7.624 1.00 14.90 H new ATOM 0 HA ALA A 130 32.785 7.345 -6.193 1.00 15.21 H new ATOM 0 HB1 ALA A 130 34.705 6.629 -7.288 1.00 17.02 H new ATOM 0 HB2 ALA A 130 33.840 5.392 -6.806 1.00 17.02 H new ATOM 0 HB3 ALA A 130 33.814 5.833 -8.327 1.00 17.02 H new ATOM 1077 N VAL A 131 32.307 8.322 -9.169 1.00 16.24 N ANISOU 1077 N VAL A 131 2883 1877 1408 -667 -137 2 N ATOM 1078 CA VAL A 131 32.227 9.518 -10.015 1.00 15.60 C ANISOU 1078 CA VAL A 131 2639 2025 1263 -561 -20 -2 C ATOM 1079 C VAL A 131 31.337 10.561 -9.361 1.00 15.12 C ANISOU 1079 C VAL A 131 2315 1954 1477 -675 -91 38 C ATOM 1080 O VAL A 131 31.694 11.759 -9.295 1.00 16.87 O ANISOU 1080 O VAL A 131 2668 1958 1785 -844 228 1 O ATOM 1081 CB VAL A 131 31.819 9.139 -11.457 1.00 16.88 C ANISOU 1081 CB VAL A 131 2713 2274 1425 -267 -149 -40 C ATOM 1082 CG1 VAL A 131 31.465 10.374 -12.256 1.00 20.71 C ANISOU 1082 CG1 VAL A 131 3936 2391 1542 -588 -416 266 C ATOM 1083 CG2 VAL A 131 32.908 8.409 -12.208 1.00 20.67 C ANISOU 1083 CG2 VAL A 131 3588 2491 1777 -613 707 -397 C ATOM 0 H VAL A 131 32.045 7.601 -9.558 1.00 16.24 H new ATOM 0 HA VAL A 131 33.102 9.929 -10.097 1.00 15.60 H new ATOM 0 HB VAL A 131 31.054 8.550 -11.363 1.00 16.88 H new ATOM 0 HG11 VAL A 131 31.212 10.116 -13.156 1.00 20.71 H new ATOM 0 HG12 VAL A 131 30.723 10.833 -11.831 1.00 20.71 H new ATOM 0 HG13 VAL A 131 32.232 10.966 -12.293 1.00 20.71 H new ATOM 0 HG21 VAL A 131 32.598 8.197 -13.102 1.00 20.67 H new ATOM 0 HG22 VAL A 131 33.696 8.972 -12.264 1.00 20.67 H new ATOM 0 HG23 VAL A 131 33.130 7.589 -11.740 1.00 20.67 H new ATOM 1084 N ASN A 132 30.176 10.155 -8.904 1.00 15.57 N ANISOU 1084 N ASN A 132 2479 1995 1441 -771 9 26 N ATOM 1085 CA ASN A 132 29.192 11.095 -8.372 1.00 15.83 C ANISOU 1085 CA ASN A 132 2306 2261 1447 -690 -159 -59 C ATOM 1086 C ASN A 132 29.696 11.731 -7.065 1.00 14.86 C ANISOU 1086 C ASN A 132 2389 1939 1316 -665 -117 107 C ATOM 1087 O ASN A 132 29.472 12.931 -6.813 1.00 15.90 O ANISOU 1087 O ASN A 132 2639 1919 1482 -436 -222 142 O ATOM 1088 CB ASN A 132 27.878 10.355 -8.195 1.00 16.65 C ANISOU 1088 CB ASN A 132 2374 2286 1668 -774 -147 -46 C ATOM 1089 CG ASN A 132 26.762 11.319 -7.844 1.00 18.47 C ANISOU 1089 CG ASN A 132 2296 2761 1962 -567 -189 15 C ATOM 1090 OD1 ASN A 132 26.351 11.540 -6.699 1.00 22.25 O ANISOU 1090 OD1 ASN A 132 3022 3029 2404 -480 593 33 O ATOM 1091 ND2 ASN A 132 26.244 11.956 -8.864 1.00 22.01 N ANISOU 1091 ND2 ASN A 132 2743 3075 2545 -396 -658 156 N ATOM 0 H ASN A 132 29.927 9.332 -8.889 1.00 15.57 H new ATOM 0 HA ASN A 132 29.053 11.830 -8.989 1.00 15.83 H new ATOM 0 HB2 ASN A 132 27.657 9.880 -9.011 1.00 16.65 H new ATOM 0 HB3 ASN A 132 27.968 9.689 -7.495 1.00 16.65 H new ATOM 0 HD21 ASN A 132 25.616 12.530 -8.739 1.00 22.01 H new ATOM 0 HD22 ASN A 132 26.532 11.800 -9.659 1.00 22.01 H new ATOM 1092 N LEU A 133 30.350 10.947 -6.211 1.00 14.48 N ANISOU 1092 N LEU A 133 2539 1571 1393 -527 -152 -125 N ATOM 1093 CA LEU A 133 30.865 11.415 -4.939 1.00 13.84 C ANISOU 1093 CA LEU A 133 2240 1675 1343 -551 -123 15 C ATOM 1094 C LEU A 133 31.881 12.573 -5.091 1.00 14.46 C ANISOU 1094 C LEU A 133 2412 1714 1369 -622 -80 -64 C ATOM 1095 O LEU A 133 31.972 13.448 -4.259 1.00 16.13 O ANISOU 1095 O LEU A 133 2764 1835 1528 -670 -172 -190 O ATOM 1096 CB LEU A 133 31.515 10.266 -4.166 1.00 15.36 C ANISOU 1096 CB LEU A 133 2434 1802 1599 -660 -240 173 C ATOM 1097 CG LEU A 133 30.503 9.314 -3.482 1.00 15.44 C ANISOU 1097 CG LEU A 133 2589 1894 1382 -669 -36 141 C ATOM 1098 CD1 LEU A 133 31.180 8.009 -3.130 1.00 17.32 C ANISOU 1098 CD1 LEU A 133 2764 2063 1753 -653 -110 429 C ATOM 1099 CD2 LEU A 133 29.899 10.003 -2.271 1.00 18.27 C ANISOU 1099 CD2 LEU A 133 2846 2572 1523 -705 91 -99 C ATOM 0 H LEU A 133 30.507 10.115 -6.362 1.00 14.48 H new ATOM 0 HA LEU A 133 30.103 11.757 -4.446 1.00 13.84 H new ATOM 0 HB2 LEU A 133 32.068 9.752 -4.774 1.00 15.36 H new ATOM 0 HB3 LEU A 133 32.104 10.636 -3.490 1.00 15.36 H new ATOM 0 HG LEU A 133 29.777 9.102 -4.089 1.00 15.44 H new ATOM 0 HD11 LEU A 133 30.541 7.418 -2.702 1.00 17.32 H new ATOM 0 HD12 LEU A 133 31.516 7.591 -3.938 1.00 17.32 H new ATOM 0 HD13 LEU A 133 31.918 8.180 -2.524 1.00 17.32 H new ATOM 0 HD21 LEU A 133 29.265 9.407 -1.842 1.00 18.27 H new ATOM 0 HD22 LEU A 133 30.603 10.231 -1.644 1.00 18.27 H new ATOM 0 HD23 LEU A 133 29.443 10.811 -2.552 1.00 18.27 H new ATOM 1100 N ALA A 134 32.653 12.516 -6.190 1.00 14.88 N ANISOU 1100 N ALA A 134 2144 2013 1497 -740 -69 -83 N ATOM 1101 CA ALA A 134 33.660 13.512 -6.451 1.00 15.26 C ANISOU 1101 CA ALA A 134 2193 2000 1606 -622 22 -53 C ATOM 1102 C ALA A 134 33.100 14.867 -6.913 1.00 15.59 C ANISOU 1102 C ALA A 134 2473 1996 1455 -763 -107 62 C ATOM 1103 O ALA A 134 33.850 15.856 -6.877 1.00 17.30 O ANISOU 1103 O ALA A 134 2607 2096 1870 -967 -9 89 O ATOM 1104 CB ALA A 134 34.676 13.023 -7.446 1.00 17.26 C ANISOU 1104 CB ALA A 134 2448 2423 1688 -746 306 -128 C ATOM 0 H ALA A 134 32.596 11.900 -6.788 1.00 14.88 H new ATOM 0 HA ALA A 134 34.086 13.661 -5.593 1.00 15.26 H new ATOM 0 HB1 ALA A 134 35.338 13.715 -7.599 1.00 17.26 H new ATOM 0 HB2 ALA A 134 35.113 12.229 -7.099 1.00 17.26 H new ATOM 0 HB3 ALA A 134 34.233 12.809 -8.282 1.00 17.26 H new ATOM 1105 N LYS A 135 31.830 14.896 -7.291 1.00 15.38 N ANISOU 1105 N LYS A 135 2550 1952 1343 -775 -180 252 N ATOM 1106 CA LYS A 135 31.163 16.136 -7.729 1.00 15.80 C ANISOU 1106 CA LYS A 135 2603 1992 1407 -710 -132 247 C ATOM 1107 C LYS A 135 30.581 16.836 -6.529 1.00 16.28 C ANISOU 1107 C LYS A 135 2380 2314 1492 -589 -233 135 C ATOM 1108 O LYS A 135 29.373 16.936 -6.315 1.00 17.43 O ANISOU 1108 O LYS A 135 2287 2731 1605 -742 -237 56 O ATOM 1109 CB LYS A 135 30.099 15.783 -8.766 1.00 17.18 C ANISOU 1109 CB LYS A 135 2785 2234 1509 -437 -273 123 C ATOM 1110 CG LYS A 135 30.597 15.211 -10.059 1.00 21.02 C ANISOU 1110 CG LYS A 135 3842 2655 1490 -336 -307 -54 C ATOM 1111 CD LYS A 135 29.450 14.786 -10.987 1.00 25.52 C ANISOU 1111 CD LYS A 135 4837 2891 1970 124 -1296 -155 C ATOM 1112 CE LYS A 135 29.928 14.162 -12.277 1.00 29.71 C ANISOU 1112 CE LYS A 135 5929 3083 2277 -577 -883 -625 C ATOM 1113 NZ LYS A 135 28.810 13.751 -13.174 1.00 44.13 N ANISOU 1113 NZ LYS A 135 8671 5464 2631 -3892 -1560 -158 N ATOM 0 H LYS A 135 31.322 14.202 -7.304 1.00 15.38 H new ATOM 0 HA LYS A 135 31.795 16.744 -8.144 1.00 15.80 H new ATOM 0 HB2 LYS A 135 29.485 15.146 -8.368 1.00 17.18 H new ATOM 0 HB3 LYS A 135 29.589 16.584 -8.964 1.00 17.18 H new ATOM 0 HG2 LYS A 135 31.149 15.869 -10.510 1.00 21.02 H new ATOM 0 HG3 LYS A 135 31.163 14.445 -9.875 1.00 21.02 H new ATOM 0 HD2 LYS A 135 28.881 14.154 -10.520 1.00 25.52 H new ATOM 0 HD3 LYS A 135 28.904 15.561 -11.192 1.00 25.52 H new ATOM 0 HE2 LYS A 135 30.496 14.794 -12.745 1.00 29.71 H new ATOM 0 HE3 LYS A 135 30.474 13.387 -12.073 1.00 29.71 H new ATOM 0 HZ1 LYS A 135 29.139 13.499 -13.962 1.00 44.13 H new ATOM 0 HZ2 LYS A 135 28.368 13.072 -12.806 1.00 44.13 H new ATOM 0 HZ3 LYS A 135 28.255 14.437 -13.290 1.00 44.13 H new ATOM 1114 N SER A 136 31.494 17.317 -5.634 1.00 14.77 N ANISOU 1114 N SER A 136 2111 2041 1460 -609 -89 129 N ATOM 1115 CA SER A 136 31.048 17.774 -4.311 1.00 14.38 C ANISOU 1115 CA SER A 136 2227 1770 1466 -569 -141 123 C ATOM 1116 C SER A 136 32.037 18.812 -3.781 1.00 14.29 C ANISOU 1116 C SER A 136 2256 1750 1425 -588 -48 195 C ATOM 1117 O SER A 136 33.246 18.774 -4.015 1.00 14.22 O ANISOU 1117 O SER A 136 2254 1681 1467 -599 9 165 O ATOM 1118 CB SER A 136 30.991 16.607 -3.312 1.00 14.22 C ANISOU 1118 CB SER A 136 2055 1802 1546 -556 134 133 C ATOM 1119 OG SER A 136 32.255 15.978 -3.144 1.00 13.99 O ANISOU 1119 OG SER A 136 2062 1695 1560 -642 -96 86 O ATOM 0 H SER A 136 32.339 17.380 -5.779 1.00 14.77 H new ATOM 0 HA SER A 136 30.160 18.154 -4.404 1.00 14.38 H new ATOM 0 HB2 SER A 136 30.678 16.934 -2.454 1.00 14.22 H new ATOM 0 HB3 SER A 136 30.345 15.952 -3.619 1.00 14.22 H new ATOM 0 HG SER A 136 32.227 15.202 -3.465 1.00 13.99 H new ATOM 1120 N ARG A 137 31.502 19.697 -2.940 1.00 13.83 N ANISOU 1120 N ARG A 137 2074 1694 1485 -578 -123 135 N ATOM 1121 CA ARG A 137 32.361 20.583 -2.164 1.00 13.85 C ANISOU 1121 CA ARG A 137 2130 1622 1508 -672 3 212 C ATOM 1122 C ARG A 137 33.376 19.781 -1.355 1.00 13.81 C ANISOU 1122 C ARG A 137 2265 1704 1278 -645 -123 199 C ATOM 1123 O ARG A 137 34.545 20.124 -1.312 1.00 14.35 O ANISOU 1123 O ARG A 137 2233 1522 1698 -570 -95 254 O ATOM 1124 CB ARG A 137 31.534 21.473 -1.224 1.00 14.84 C ANISOU 1124 CB ARG A 137 2335 1741 1564 -565 108 141 C ATOM 1125 CG ARG A 137 32.464 22.379 -0.448 1.00 16.95 C ANISOU 1125 CG ARG A 137 2831 1775 1835 -857 195 5 C ATOM 1126 CD ARG A 137 31.762 23.318 0.528 1.00 17.97 C ANISOU 1126 CD ARG A 137 2549 2349 1930 -449 -105 -203 C ATOM 1127 NE ARG A 137 32.708 24.219 1.182 1.00 20.16 N ANISOU 1127 NE ARG A 137 2984 2733 1945 -566 -203 -516 N ATOM 1128 CZ ARG A 137 33.436 23.994 2.208 1.00 21.46 C ANISOU 1128 CZ ARG A 137 3244 3349 1562 -747 -105 -342 C ATOM 1129 NH1 ARG A 137 33.420 22.815 2.857 1.00 22.84 N ANISOU 1129 NH1 ARG A 137 2759 3789 2128 -822 -34 172 N ATOM 1130 NH2 ARG A 137 34.273 24.938 2.704 1.00 22.43 N ANISOU 1130 NH2 ARG A 137 2869 3398 2256 -511 -347 -542 N ATOM 0 H ARG A 137 30.658 19.798 -2.807 1.00 13.83 H new ATOM 0 HA ARG A 137 32.836 21.152 -2.790 1.00 13.85 H new ATOM 0 HB2 ARG A 137 30.902 22.002 -1.735 1.00 14.84 H new ATOM 0 HB3 ARG A 137 31.016 20.924 -0.614 1.00 14.84 H new ATOM 0 HG2 ARG A 137 33.095 21.831 0.045 1.00 16.95 H new ATOM 0 HG3 ARG A 137 32.979 22.909 -1.076 1.00 16.95 H new ATOM 0 HD2 ARG A 137 31.094 23.838 0.054 1.00 17.97 H new ATOM 0 HD3 ARG A 137 31.293 22.797 1.199 1.00 17.97 H new ATOM 0 HE ARG A 137 32.785 25.001 0.832 1.00 20.16 H new ATOM 0 HH11 ARG A 137 32.907 22.181 2.584 1.00 22.84 H new ATOM 0 HH12 ARG A 137 33.923 22.696 3.545 1.00 22.84 H new ATOM 0 HH21 ARG A 137 34.323 25.709 2.327 1.00 22.43 H new ATOM 0 HH22 ARG A 137 34.754 24.765 3.396 1.00 22.43 H new ATOM 1131 N TRP A 138 32.874 18.682 -0.728 1.00 14.00 N ANISOU 1131 N TRP A 138 2221 1743 1355 -634 -166 205 N ATOM 1132 CA TRP A 138 33.734 17.796 0.032 1.00 13.82 C ANISOU 1132 CA TRP A 138 2438 1622 1190 -707 -148 208 C ATOM 1133 C TRP A 138 35.011 17.439 -0.722 1.00 13.51 C ANISOU 1133 C TRP A 138 2349 1472 1313 -653 -214 169 C ATOM 1134 O TRP A 138 36.123 17.599 -0.213 1.00 15.01 O ANISOU 1134 O TRP A 138 2351 1779 1575 -728 -212 70 O ATOM 1135 CB TRP A 138 32.992 16.534 0.338 1.00 14.65 C ANISOU 1135 CB TRP A 138 2467 1607 1492 -704 -85 143 C ATOM 1136 CG TRP A 138 33.709 15.431 0.989 1.00 14.20 C ANISOU 1136 CG TRP A 138 2568 1639 1186 -671 -14 173 C ATOM 1137 CD1 TRP A 138 34.448 15.448 2.133 1.00 15.57 C ANISOU 1137 CD1 TRP A 138 2747 1650 1521 -514 -289 -8 C ATOM 1138 CD2 TRP A 138 33.738 14.072 0.505 1.00 14.07 C ANISOU 1138 CD2 TRP A 138 2419 1588 1337 -800 -83 200 C ATOM 1139 NE1 TRP A 138 34.942 14.209 2.414 1.00 14.67 N ANISOU 1139 NE1 TRP A 138 2397 1731 1446 -543 -193 40 N ATOM 1140 CE2 TRP A 138 34.528 13.336 1.436 1.00 14.63 C ANISOU 1140 CE2 TRP A 138 2702 1624 1233 -708 -109 176 C ATOM 1141 CE3 TRP A 138 33.200 13.426 -0.590 1.00 15.26 C ANISOU 1141 CE3 TRP A 138 2539 2007 1252 -641 -82 -36 C ATOM 1142 CZ2 TRP A 138 34.764 11.983 1.290 1.00 14.26 C ANISOU 1142 CZ2 TRP A 138 2454 1712 1253 -608 120 111 C ATOM 1143 CZ3 TRP A 138 33.438 12.068 -0.750 1.00 15.79 C ANISOU 1143 CZ3 TRP A 138 2465 2083 1453 -636 -101 -203 C ATOM 1144 CH2 TRP A 138 34.217 11.369 0.186 1.00 15.80 C ANISOU 1144 CH2 TRP A 138 2483 1902 1619 -559 -29 -163 C ATOM 0 H TRP A 138 32.045 18.453 -0.743 1.00 14.00 H new ATOM 0 HA TRP A 138 33.986 18.262 0.845 1.00 13.82 H new ATOM 0 HB2 TRP A 138 32.237 16.766 0.901 1.00 14.65 H new ATOM 0 HB3 TRP A 138 32.630 16.197 -0.496 1.00 14.65 H new ATOM 0 HD1 TRP A 138 34.596 16.204 2.653 1.00 15.57 H new ATOM 0 HE1 TRP A 138 35.432 14.007 3.091 1.00 14.67 H new ATOM 0 HE3 TRP A 138 32.687 13.893 -1.210 1.00 15.26 H new ATOM 0 HZ2 TRP A 138 35.270 11.508 1.910 1.00 14.26 H new ATOM 0 HZ3 TRP A 138 33.080 11.619 -1.481 1.00 15.79 H new ATOM 0 HH2 TRP A 138 34.369 10.461 0.056 1.00 15.80 H new ATOM 1145 N TYR A 139 34.858 16.918 -1.930 1.00 14.16 N ANISOU 1145 N TYR A 139 2283 1652 1447 -861 -68 28 N ATOM 1146 CA TYR A 139 36.003 16.490 -2.704 1.00 13.88 C ANISOU 1146 CA TYR A 139 2265 1390 1619 -529 -143 54 C ATOM 1147 C TYR A 139 36.927 17.660 -3.010 1.00 13.74 C ANISOU 1147 C TYR A 139 2036 1698 1484 -573 -129 167 C ATOM 1148 O TYR A 139 38.144 17.557 -2.928 1.00 16.29 O ANISOU 1148 O TYR A 139 2100 1642 2448 -459 -61 269 O ATOM 1149 CB TYR A 139 35.529 15.795 -3.994 1.00 16.41 C ANISOU 1149 CB TYR A 139 2315 2122 1799 -853 28 -254 C ATOM 1150 CG TYR A 139 36.634 15.324 -4.899 1.00 16.88 C ANISOU 1150 CG TYR A 139 2644 1995 1776 -743 215 -139 C ATOM 1151 CD1 TYR A 139 37.185 16.181 -5.864 1.00 21.48 C ANISOU 1151 CD1 TYR A 139 3323 2304 2533 -705 855 119 C ATOM 1152 CD2 TYR A 139 37.145 14.039 -4.853 1.00 17.91 C ANISOU 1152 CD2 TYR A 139 2615 2047 2142 -776 218 -233 C ATOM 1153 CE1 TYR A 139 38.180 15.825 -6.712 1.00 25.26 C ANISOU 1153 CE1 TYR A 139 4013 2768 2817 -676 1403 69 C ATOM 1154 CE2 TYR A 139 38.149 13.661 -5.704 1.00 21.40 C ANISOU 1154 CE2 TYR A 139 2616 2758 2756 -158 425 125 C ATOM 1155 CZ TYR A 139 38.662 14.546 -6.633 1.00 26.55 C ANISOU 1155 CZ TYR A 139 4019 2755 3314 -606 1637 -326 C ATOM 1156 OH TYR A 139 39.662 14.176 -7.489 1.00 34.38 O ANISOU 1156 OH TYR A 139 4726 4273 4064 50 2345 -142 O ATOM 0 H TYR A 139 34.098 16.805 -2.317 1.00 14.16 H new ATOM 0 HA TYR A 139 36.514 15.853 -2.181 1.00 13.88 H new ATOM 0 HB2 TYR A 139 34.979 15.033 -3.753 1.00 16.41 H new ATOM 0 HB3 TYR A 139 34.963 16.409 -4.488 1.00 16.41 H new ATOM 0 HD1 TYR A 139 36.847 17.045 -5.925 1.00 21.48 H new ATOM 0 HD2 TYR A 139 36.804 13.428 -4.240 1.00 17.91 H new ATOM 0 HE1 TYR A 139 38.525 16.430 -7.328 1.00 25.26 H new ATOM 0 HE2 TYR A 139 38.490 12.797 -5.656 1.00 21.40 H new ATOM 0 HH TYR A 139 39.576 13.364 -7.687 1.00 34.38 H new ATOM 1157 N ASN A 140 36.362 18.767 -3.428 1.00 13.48 N ANISOU 1157 N ASN A 140 2087 1592 1444 -689 -321 169 N ATOM 1158 CA ASN A 140 37.162 19.905 -3.807 1.00 13.65 C ANISOU 1158 CA ASN A 140 2197 1577 1413 -604 -103 68 C ATOM 1159 C ASN A 140 37.959 20.474 -2.632 1.00 13.77 C ANISOU 1159 C ASN A 140 2258 1575 1400 -805 -149 176 C ATOM 1160 O ASN A 140 39.093 20.927 -2.807 1.00 15.22 O ANISOU 1160 O ASN A 140 2351 1957 1474 -948 -62 19 O ATOM 1161 CB ASN A 140 36.292 20.984 -4.431 1.00 14.50 C ANISOU 1161 CB ASN A 140 2233 1759 1517 -627 -175 237 C ATOM 1162 CG ASN A 140 35.962 20.631 -5.875 1.00 15.71 C ANISOU 1162 CG ASN A 140 2262 2289 1419 -991 -142 347 C ATOM 1163 OD1 ASN A 140 36.825 20.809 -6.761 1.00 17.18 O ANISOU 1163 OD1 ASN A 140 2141 2823 1564 -864 -85 215 O ATOM 1164 ND2 ASN A 140 34.788 20.161 -6.161 1.00 15.72 N ANISOU 1164 ND2 ASN A 140 2336 2131 1508 -1001 -59 182 N ATOM 0 H ASN A 140 35.513 18.882 -3.500 1.00 13.48 H new ATOM 0 HA ASN A 140 37.804 19.595 -4.465 1.00 13.65 H new ATOM 0 HB2 ASN A 140 35.473 21.082 -3.921 1.00 14.50 H new ATOM 0 HB3 ASN A 140 36.751 21.838 -4.397 1.00 14.50 H new ATOM 0 HD21 ASN A 140 34.590 19.965 -6.975 1.00 15.72 H new ATOM 0 HD22 ASN A 140 34.207 20.045 -5.537 1.00 15.72 H new ATOM 1165 N GLN A 141 37.384 20.474 -1.430 1.00 14.01 N ANISOU 1165 N GLN A 141 2235 1698 1391 -794 -157 85 N ATOM 1166 CA GLN A 141 38.005 21.090 -0.278 1.00 14.40 C ANISOU 1166 CA GLN A 141 2487 1629 1355 -635 -147 77 C ATOM 1167 C GLN A 141 39.027 20.182 0.397 1.00 13.61 C ANISOU 1167 C GLN A 141 2354 1558 1259 -743 -128 89 C ATOM 1168 O GLN A 141 40.036 20.659 0.919 1.00 15.93 O ANISOU 1168 O GLN A 141 2616 1811 1625 -898 -367 54 O ATOM 1169 CB GLN A 141 36.973 21.619 0.706 1.00 15.86 C ANISOU 1169 CB GLN A 141 2510 1965 1550 -518 -136 -79 C ATOM 1170 CG GLN A 141 36.052 22.676 0.115 1.00 16.03 C ANISOU 1170 CG GLN A 141 2518 1804 1768 -582 -74 39 C ATOM 1171 CD GLN A 141 36.639 23.930 -0.523 1.00 15.71 C ANISOU 1171 CD GLN A 141 2304 2157 1508 -636 -245 133 C ATOM 1172 OE1 GLN A 141 36.262 24.281 -1.659 1.00 17.82 O ANISOU 1172 OE1 GLN A 141 2738 2658 1375 -873 -198 174 O ATOM 1173 NE2 GLN A 141 37.497 24.640 0.133 1.00 17.29 N ANISOU 1173 NE2 GLN A 141 3090 1986 1494 -842 -427 74 N ATOM 0 H GLN A 141 36.620 20.114 -1.267 1.00 14.01 H new ATOM 0 HA GLN A 141 38.501 21.854 -0.611 1.00 14.40 H new ATOM 0 HB2 GLN A 141 36.437 20.878 1.030 1.00 15.86 H new ATOM 0 HB3 GLN A 141 37.432 21.994 1.474 1.00 15.86 H new ATOM 0 HG2 GLN A 141 35.506 22.239 -0.557 1.00 16.03 H new ATOM 0 HG3 GLN A 141 35.454 22.965 0.822 1.00 16.03 H new ATOM 0 HE21 GLN A 141 37.752 24.391 0.916 1.00 17.29 H new ATOM 0 HE22 GLN A 141 37.813 25.361 -0.213 1.00 17.29 H new ATOM 1174 N THR A 142 38.767 18.863 0.412 1.00 13.62 N ANISOU 1174 N THR A 142 2176 1553 1447 -610 -169 21 N ATOM 1175 CA THR A 142 39.689 17.884 0.967 1.00 13.89 C ANISOU 1175 CA THR A 142 2319 1584 1375 -578 -110 74 C ATOM 1176 C THR A 142 39.914 16.752 -0.041 1.00 13.14 C ANISOU 1176 C THR A 142 2154 1485 1352 -633 -57 103 C ATOM 1177 O THR A 142 39.388 15.657 0.160 1.00 14.15 O ANISOU 1177 O THR A 142 2320 1562 1495 -719 51 94 O ATOM 1178 CB THR A 142 39.250 17.326 2.333 1.00 14.35 C ANISOU 1178 CB THR A 142 2456 1658 1339 -573 -80 31 C ATOM 1179 OG1 THR A 142 37.896 16.819 2.293 1.00 15.33 O ANISOU 1179 OG1 THR A 142 2494 2035 1294 -757 88 -10 O ATOM 1180 CG2 THR A 142 39.281 18.372 3.408 1.00 16.48 C ANISOU 1180 CG2 THR A 142 3157 1725 1379 -789 -207 -38 C ATOM 0 H THR A 142 38.044 18.520 0.096 1.00 13.62 H new ATOM 0 HA THR A 142 40.525 18.348 1.132 1.00 13.89 H new ATOM 0 HB THR A 142 39.881 16.616 2.532 1.00 14.35 H new ATOM 0 HG1 THR A 142 37.816 16.284 1.650 1.00 15.33 H new ATOM 0 HG21 THR A 142 38.998 17.980 4.249 1.00 16.48 H new ATOM 0 HG22 THR A 142 40.183 18.716 3.499 1.00 16.48 H new ATOM 0 HG23 THR A 142 38.681 19.097 3.172 1.00 16.48 H new ATOM 1181 N PRO A 143 40.575 17.026 -1.143 1.00 13.77 N ANISOU 1181 N PRO A 143 2106 1686 1440 -689 -52 125 N ATOM 1182 CA PRO A 143 40.641 16.036 -2.234 1.00 14.14 C ANISOU 1182 CA PRO A 143 2179 1894 1298 -727 -39 66 C ATOM 1183 C PRO A 143 41.440 14.810 -1.906 1.00 13.32 C ANISOU 1183 C PRO A 143 2194 1747 1120 -744 126 12 C ATOM 1184 O PRO A 143 41.057 13.732 -2.369 1.00 15.12 O ANISOU 1184 O PRO A 143 2314 1863 1569 -882 -92 -52 O ATOM 1185 CB PRO A 143 41.260 16.820 -3.411 1.00 14.69 C ANISOU 1185 CB PRO A 143 2255 1886 1442 -803 -128 231 C ATOM 1186 CG PRO A 143 42.018 17.907 -2.749 1.00 16.49 C ANISOU 1186 CG PRO A 143 2595 2049 1622 -1005 274 -15 C ATOM 1187 CD PRO A 143 41.239 18.309 -1.533 1.00 14.48 C ANISOU 1187 CD PRO A 143 2259 1714 1530 -687 90 187 C ATOM 0 HA PRO A 143 39.761 15.678 -2.428 1.00 14.14 H new ATOM 0 HB2 PRO A 143 41.840 16.257 -3.948 1.00 14.69 H new ATOM 0 HB3 PRO A 143 40.577 17.171 -4.003 1.00 14.69 H new ATOM 0 HG2 PRO A 143 42.906 17.605 -2.503 1.00 16.49 H new ATOM 0 HG3 PRO A 143 42.131 18.661 -3.349 1.00 16.49 H new ATOM 0 HD2 PRO A 143 41.815 18.647 -0.829 1.00 14.48 H new ATOM 0 HD3 PRO A 143 40.593 19.005 -1.730 1.00 14.48 H new ATOM 1188 N ASN A 144 42.544 14.907 -1.167 1.00 13.76 N ANISOU 1188 N ASN A 144 2313 1642 1274 -680 -59 13 N ATOM 1189 CA ASN A 144 43.318 13.697 -0.917 1.00 14.28 C ANISOU 1189 CA ASN A 144 2227 1670 1528 -594 108 -19 C ATOM 1190 C ASN A 144 42.537 12.732 -0.011 1.00 13.52 C ANISOU 1190 C ASN A 144 2165 1572 1400 -480 32 -2 C ATOM 1191 O ASN A 144 42.508 11.531 -0.265 1.00 15.08 O ANISOU 1191 O ASN A 144 2662 1629 1441 -623 137 -58 O ATOM 1192 CB ASN A 144 44.699 13.992 -0.378 1.00 15.55 C ANISOU 1192 CB ASN A 144 2273 1681 1954 -617 -36 100 C ATOM 1193 CG ASN A 144 45.609 14.600 -1.452 1.00 18.40 C ANISOU 1193 CG ASN A 144 2015 2396 2580 -147 391 542 C ATOM 1194 OD1 ASN A 144 45.236 14.617 -2.635 1.00 33.69 O ANISOU 1194 OD1 ASN A 144 2772 7167 2860 -1174 -40 2347 O ATOM 1195 ND2 ASN A 144 46.749 15.035 -1.065 1.00 24.02 N ANISOU 1195 ND2 ASN A 144 2852 2965 3310 -1218 444 -2 N ATOM 0 H ASN A 144 42.850 15.630 -0.816 1.00 13.76 H new ATOM 0 HA ASN A 144 43.456 13.259 -1.771 1.00 14.28 H new ATOM 0 HB2 ASN A 144 44.630 14.603 0.372 1.00 15.55 H new ATOM 0 HB3 ASN A 144 45.097 13.174 -0.042 1.00 15.55 H new ATOM 0 HD21 ASN A 144 47.302 15.361 -1.638 1.00 24.02 H new ATOM 0 HD22 ASN A 144 46.962 15.002 -0.232 1.00 24.02 H new ATOM 1196 N ARG A 145 41.896 13.239 1.029 1.00 13.80 N ANISOU 1196 N ARG A 145 2521 1372 1351 -609 80 17 N ATOM 1197 CA ARG A 145 41.086 12.426 1.902 1.00 14.06 C ANISOU 1197 CA ARG A 145 2634 1523 1185 -697 19 23 C ATOM 1198 C ARG A 145 39.875 11.887 1.155 1.00 13.85 C ANISOU 1198 C ARG A 145 2441 1452 1370 -637 128 48 C ATOM 1199 O ARG A 145 39.568 10.698 1.251 1.00 14.53 O ANISOU 1199 O ARG A 145 2588 1404 1531 -649 79 98 O ATOM 1200 CB ARG A 145 40.603 13.226 3.108 1.00 15.02 C ANISOU 1200 CB ARG A 145 2605 1906 1196 -437 29 93 C ATOM 1201 CG ARG A 145 39.732 12.347 4.021 1.00 17.55 C ANISOU 1201 CG ARG A 145 3315 2034 1319 -603 244 174 C ATOM 1202 CD ARG A 145 39.227 13.129 5.145 1.00 19.93 C ANISOU 1202 CD ARG A 145 3530 2225 1819 -553 735 193 C ATOM 1203 NE ARG A 145 38.456 12.320 6.086 1.00 16.27 N ANISOU 1203 NE ARG A 145 2694 1805 1684 -205 358 410 N ATOM 1204 CZ ARG A 145 38.199 12.774 7.308 1.00 16.33 C ANISOU 1204 CZ ARG A 145 2736 1831 1637 -523 183 218 C ATOM 1205 NH1 ARG A 145 38.617 13.971 7.697 1.00 20.08 N ANISOU 1205 NH1 ARG A 145 3345 1697 2589 -711 -2 174 N ATOM 1206 NH2 ARG A 145 37.520 12.043 8.131 1.00 15.68 N ANISOU 1206 NH2 ARG A 145 2759 1845 1354 -616 134 57 N ATOM 0 H ARG A 145 41.922 14.071 1.246 1.00 13.80 H new ATOM 0 HA ARG A 145 41.638 11.690 2.209 1.00 14.06 H new ATOM 0 HB2 ARG A 145 41.364 13.564 3.605 1.00 15.02 H new ATOM 0 HB3 ARG A 145 40.094 13.996 2.810 1.00 15.02 H new ATOM 0 HG2 ARG A 145 38.990 11.980 3.515 1.00 17.55 H new ATOM 0 HG3 ARG A 145 40.251 11.596 4.349 1.00 17.55 H new ATOM 0 HD2 ARG A 145 39.972 13.540 5.611 1.00 19.93 H new ATOM 0 HD3 ARG A 145 38.670 13.849 4.810 1.00 19.93 H new ATOM 0 HE ARG A 145 38.167 11.546 5.848 1.00 16.27 H new ATOM 0 HH11 ARG A 145 39.063 14.468 7.155 1.00 20.08 H new ATOM 0 HH12 ARG A 145 38.442 14.250 8.491 1.00 20.08 H new ATOM 0 HH21 ARG A 145 37.238 11.268 7.886 1.00 15.68 H new ATOM 0 HH22 ARG A 145 37.351 12.332 8.923 1.00 15.68 H new ATOM 1207 N ALA A 146 39.217 12.736 0.378 1.00 14.08 N ANISOU 1207 N ALA A 146 2434 1397 1519 -768 14 24 N ATOM 1208 CA ALA A 146 38.020 12.281 -0.357 1.00 14.39 C ANISOU 1208 CA ALA A 146 2424 1593 1450 -806 54 72 C ATOM 1209 C ALA A 146 38.441 11.189 -1.329 1.00 14.08 C ANISOU 1209 C ALA A 146 2326 1581 1441 -825 20 -6 C ATOM 1210 O ALA A 146 37.718 10.205 -1.508 1.00 15.43 O ANISOU 1210 O ALA A 146 2562 1582 1718 -884 -29 21 O ATOM 1211 CB ALA A 146 37.285 13.415 -1.035 1.00 15.20 C ANISOU 1211 CB ALA A 146 2423 1640 1713 -706 67 89 C ATOM 0 H ALA A 146 39.431 13.560 0.257 1.00 14.08 H new ATOM 0 HA ALA A 146 37.378 11.917 0.273 1.00 14.39 H new ATOM 0 HB1 ALA A 146 36.510 13.065 -1.502 1.00 15.20 H new ATOM 0 HB2 ALA A 146 36.997 14.059 -0.369 1.00 15.20 H new ATOM 0 HB3 ALA A 146 37.876 13.850 -1.670 1.00 15.20 H new ATOM 1212 N LYS A 147 39.591 11.314 -2.011 1.00 14.59 N ANISOU 1212 N LYS A 147 2389 1820 1335 -892 -17 -107 N ATOM 1213 CA LYS A 147 40.039 10.287 -2.936 1.00 13.95 C ANISOU 1213 CA LYS A 147 2020 1918 1363 -699 -126 -32 C ATOM 1214 C LYS A 147 40.227 8.961 -2.203 1.00 14.13 C ANISOU 1214 C LYS A 147 2250 1871 1246 -779 9 -55 C ATOM 1215 O LYS A 147 39.842 7.909 -2.737 1.00 15.57 O ANISOU 1215 O LYS A 147 2532 1892 1491 -819 43 -197 O ATOM 1216 CB LYS A 147 41.350 10.676 -3.641 1.00 16.37 C ANISOU 1216 CB LYS A 147 2325 2052 1843 -1019 202 -80 C ATOM 1217 CG LYS A 147 41.168 11.670 -4.763 1.00 19.83 C ANISOU 1217 CG LYS A 147 3207 2403 1924 -1109 265 140 C ATOM 1218 CD LYS A 147 42.515 12.185 -5.303 1.00 27.35 C ANISOU 1218 CD LYS A 147 4004 4102 2287 -1933 746 309 C ATOM 1219 CE LYS A 147 42.349 13.366 -6.247 1.00 37.28 C ANISOU 1219 CE LYS A 147 6681 4250 3234 -3254 304 950 C ATOM 1220 NZ LYS A 147 43.696 13.724 -6.804 1.00 55.38 N ANISOU 1220 NZ LYS A 147 8237 7497 5309 -5349 1405 1360 N ATOM 0 H LYS A 147 40.119 11.990 -1.945 1.00 14.59 H new ATOM 0 HA LYS A 147 39.352 10.193 -3.614 1.00 13.95 H new ATOM 0 HB2 LYS A 147 41.961 11.049 -2.986 1.00 16.37 H new ATOM 0 HB3 LYS A 147 41.767 9.875 -3.995 1.00 16.37 H new ATOM 0 HG2 LYS A 147 40.669 11.255 -5.484 1.00 19.83 H new ATOM 0 HG3 LYS A 147 40.639 12.420 -4.447 1.00 19.83 H new ATOM 0 HD2 LYS A 147 43.080 12.446 -4.559 1.00 27.35 H new ATOM 0 HD3 LYS A 147 42.971 11.465 -5.767 1.00 27.35 H new ATOM 0 HE2 LYS A 147 41.737 13.140 -6.965 1.00 37.28 H new ATOM 0 HE3 LYS A 147 41.967 14.123 -5.776 1.00 37.28 H new ATOM 0 HZ1 LYS A 147 43.614 14.415 -7.359 1.00 55.38 H new ATOM 0 HZ2 LYS A 147 44.244 13.943 -6.138 1.00 55.38 H new ATOM 0 HZ3 LYS A 147 44.030 13.027 -7.246 1.00 55.38 H new ATOM 1221 N ARG A 148 40.774 8.971 -0.997 1.00 14.13 N ANISOU 1221 N ARG A 148 2252 1769 1346 -599 -29 -17 N ATOM 1222 CA ARG A 148 40.952 7.739 -0.237 1.00 14.09 C ANISOU 1222 CA ARG A 148 2135 1701 1517 -497 10 48 C ATOM 1223 C ARG A 148 39.600 7.113 0.077 1.00 13.18 C ANISOU 1223 C ARG A 148 2222 1499 1287 -584 3 -217 C ATOM 1224 O ARG A 148 39.397 5.904 -0.066 1.00 14.78 O ANISOU 1224 O ARG A 148 2521 1481 1614 -577 113 -212 O ATOM 1225 CB ARG A 148 41.720 7.951 1.062 1.00 14.03 C ANISOU 1225 CB ARG A 148 2181 1770 1381 -567 58 -15 C ATOM 1226 CG ARG A 148 43.205 8.260 0.873 1.00 14.22 C ANISOU 1226 CG ARG A 148 2261 1773 1367 -608 23 -64 C ATOM 1227 CD ARG A 148 43.973 8.216 2.171 1.00 15.11 C ANISOU 1227 CD ARG A 148 2301 2052 1386 -555 -10 -90 C ATOM 1228 NE ARG A 148 43.684 9.303 3.076 1.00 15.45 N ANISOU 1228 NE ARG A 148 2505 2074 1292 -770 171 -135 N ATOM 1229 CZ ARG A 148 44.268 10.506 3.049 1.00 15.39 C ANISOU 1229 CZ ARG A 148 2142 2190 1514 -804 70 -276 C ATOM 1230 NH1 ARG A 148 45.177 10.794 2.135 1.00 17.30 N ANISOU 1230 NH1 ARG A 148 2515 2187 1871 -773 372 -131 N ATOM 1231 NH2 ARG A 148 43.910 11.421 3.947 1.00 17.54 N ANISOU 1231 NH2 ARG A 148 2642 2281 1743 -753 148 -458 N ATOM 0 H ARG A 148 41.050 9.681 -0.598 1.00 14.13 H new ATOM 0 HA ARG A 148 41.477 7.144 -0.795 1.00 14.09 H new ATOM 0 HB2 ARG A 148 41.309 8.680 1.553 1.00 14.03 H new ATOM 0 HB3 ARG A 148 41.633 7.155 1.610 1.00 14.03 H new ATOM 0 HG2 ARG A 148 43.589 7.622 0.252 1.00 14.22 H new ATOM 0 HG3 ARG A 148 43.301 9.138 0.473 1.00 14.22 H new ATOM 0 HD2 ARG A 148 43.780 7.378 2.619 1.00 15.11 H new ATOM 0 HD3 ARG A 148 44.922 8.220 1.972 1.00 15.11 H new ATOM 0 HE ARG A 148 43.088 9.166 3.681 1.00 15.45 H new ATOM 0 HH11 ARG A 148 45.399 10.205 1.549 1.00 17.30 H new ATOM 0 HH12 ARG A 148 45.547 11.570 2.126 1.00 17.30 H new ATOM 0 HH21 ARG A 148 43.310 11.235 4.535 1.00 17.54 H new ATOM 0 HH22 ARG A 148 44.279 12.198 3.940 1.00 17.54 H new ATOM 1232 N VAL A 149 38.666 7.930 0.555 1.00 13.43 N ANISOU 1232 N VAL A 149 2233 1524 1347 -599 97 -124 N ATOM 1233 CA VAL A 149 37.334 7.393 0.957 1.00 13.33 C ANISOU 1233 CA VAL A 149 2192 1506 1367 -466 65 -28 C ATOM 1234 C VAL A 149 36.632 6.886 -0.284 1.00 13.34 C ANISOU 1234 C VAL A 149 2061 1520 1489 -546 18 41 C ATOM 1235 O VAL A 149 36.020 5.795 -0.261 1.00 14.92 O ANISOU 1235 O VAL A 149 2504 1638 1528 -769 144 -39 O ATOM 1236 CB VAL A 149 36.561 8.521 1.693 1.00 13.53 C ANISOU 1236 CB VAL A 149 2275 1488 1376 -592 123 4 C ATOM 1237 CG1 VAL A 149 35.115 8.140 1.930 1.00 15.67 C ANISOU 1237 CG1 VAL A 149 2250 1964 1741 -584 254 -62 C ATOM 1238 CG2 VAL A 149 37.224 8.913 3.007 1.00 15.16 C ANISOU 1238 CG2 VAL A 149 2711 1585 1462 -702 103 -192 C ATOM 0 H VAL A 149 38.764 8.778 0.658 1.00 13.43 H new ATOM 0 HA VAL A 149 37.402 6.645 1.570 1.00 13.33 H new ATOM 0 HB VAL A 149 36.585 9.294 1.108 1.00 13.53 H new ATOM 0 HG11 VAL A 149 34.661 8.863 2.390 1.00 15.67 H new ATOM 0 HG12 VAL A 149 34.680 7.975 1.079 1.00 15.67 H new ATOM 0 HG13 VAL A 149 35.077 7.337 2.473 1.00 15.67 H new ATOM 0 HG21 VAL A 149 36.710 9.618 3.431 1.00 15.16 H new ATOM 0 HG22 VAL A 149 37.261 8.142 3.594 1.00 15.16 H new ATOM 0 HG23 VAL A 149 38.124 9.230 2.834 1.00 15.16 H new ATOM 1239 N ILE A 150 36.698 7.610 -1.378 1.00 14.09 N ANISOU 1239 N ILE A 150 2505 1545 1303 -737 -54 -94 N ATOM 1240 CA ILE A 150 36.060 7.193 -2.609 1.00 14.39 C ANISOU 1240 CA ILE A 150 2349 1672 1446 -583 -115 -102 C ATOM 1241 C ILE A 150 36.683 5.898 -3.157 1.00 14.59 C ANISOU 1241 C ILE A 150 2432 1730 1382 -562 -288 -230 C ATOM 1242 O ILE A 150 35.932 4.990 -3.572 1.00 16.13 O ANISOU 1242 O ILE A 150 2790 1791 1547 -902 -138 -284 O ATOM 1243 CB ILE A 150 36.073 8.332 -3.672 1.00 15.20 C ANISOU 1243 CB ILE A 150 2353 1916 1508 -617 -336 60 C ATOM 1244 CG1 ILE A 150 35.160 9.471 -3.231 1.00 15.70 C ANISOU 1244 CG1 ILE A 150 2384 1817 1764 -641 -359 113 C ATOM 1245 CG2 ILE A 150 35.655 7.797 -5.016 1.00 17.27 C ANISOU 1245 CG2 ILE A 150 3077 1899 1584 -902 -406 -3 C ATOM 1246 CD1 ILE A 150 35.298 10.742 -4.045 1.00 16.64 C ANISOU 1246 CD1 ILE A 150 2703 1970 1648 -614 -273 207 C ATOM 0 H ILE A 150 37.115 8.360 -1.432 1.00 14.09 H new ATOM 0 HA ILE A 150 35.132 7.001 -2.404 1.00 14.39 H new ATOM 0 HB ILE A 150 36.976 8.678 -3.752 1.00 15.20 H new ATOM 0 HG12 ILE A 150 34.240 9.169 -3.279 1.00 15.70 H new ATOM 0 HG13 ILE A 150 35.344 9.675 -2.301 1.00 15.70 H new ATOM 0 HG21 ILE A 150 35.667 8.515 -5.668 1.00 17.27 H new ATOM 0 HG22 ILE A 150 36.270 7.099 -5.292 1.00 17.27 H new ATOM 0 HG23 ILE A 150 34.759 7.432 -4.955 1.00 17.27 H new ATOM 0 HD11 ILE A 150 34.687 11.413 -3.703 1.00 16.64 H new ATOM 0 HD12 ILE A 150 36.208 11.071 -3.980 1.00 16.64 H new ATOM 0 HD13 ILE A 150 35.087 10.556 -4.973 1.00 16.64 H new ATOM 1247 N THR A 151 37.989 5.749 -3.111 1.00 15.34 N ANISOU 1247 N THR A 151 2452 1723 1652 -567 1 -243 N ATOM 1248 CA THR A 151 38.597 4.489 -3.530 1.00 16.35 C ANISOU 1248 CA THR A 151 2620 1812 1779 -471 208 -254 C ATOM 1249 C THR A 151 38.115 3.332 -2.664 1.00 15.02 C ANISOU 1249 C THR A 151 2270 1808 1629 -689 -129 -339 C ATOM 1250 O THR A 151 37.925 2.200 -3.161 1.00 16.78 O ANISOU 1250 O THR A 151 2786 1715 1874 -512 -159 -414 O ATOM 1251 CB THR A 151 40.133 4.542 -3.392 1.00 17.77 C ANISOU 1251 CB THR A 151 2571 1889 2293 -644 650 -430 C ATOM 1252 OG1 THR A 151 40.570 5.428 -4.457 1.00 20.56 O ANISOU 1252 OG1 THR A 151 2954 2453 2405 -573 626 -59 O ATOM 1253 CG2 THR A 151 40.841 3.236 -3.574 1.00 19.78 C ANISOU 1253 CG2 THR A 151 2731 2307 2477 -215 390 -292 C ATOM 0 H THR A 151 38.542 6.351 -2.845 1.00 15.34 H new ATOM 0 HA THR A 151 38.340 4.354 -4.455 1.00 16.35 H new ATOM 0 HB THR A 151 40.345 4.826 -2.489 1.00 17.77 H new ATOM 0 HG1 THR A 151 40.465 6.226 -4.218 1.00 20.56 H new ATOM 0 HG21 THR A 151 41.796 3.368 -3.470 1.00 19.78 H new ATOM 0 HG22 THR A 151 40.528 2.603 -2.909 1.00 19.78 H new ATOM 0 HG23 THR A 151 40.658 2.889 -4.461 1.00 19.78 H new ATOM 1254 N THR A 152 37.892 3.589 -1.385 1.00 15.50 N ANISOU 1254 N THR A 152 2531 1882 1475 -430 -305 -230 N ATOM 1255 CA THR A 152 37.361 2.561 -0.464 1.00 15.13 C ANISOU 1255 CA THR A 152 2425 1611 1714 -504 -329 -123 C ATOM 1256 C THR A 152 35.963 2.164 -0.892 1.00 15.72 C ANISOU 1256 C THR A 152 2559 1551 1865 -407 -444 -250 C ATOM 1257 O THR A 152 35.651 0.951 -0.953 1.00 15.56 O ANISOU 1257 O THR A 152 2387 1557 1968 -469 -272 -175 O ATOM 1258 CB THR A 152 37.447 3.050 0.980 1.00 14.56 C ANISOU 1258 CB THR A 152 2148 1750 1633 -180 -308 -79 C ATOM 1259 OG1 THR A 152 38.787 3.525 1.257 1.00 15.75 O ANISOU 1259 OG1 THR A 152 2447 1680 1857 -455 -439 -156 O ATOM 1260 CG2 THR A 152 37.119 1.939 1.968 1.00 16.28 C ANISOU 1260 CG2 THR A 152 2486 1810 1892 -390 -184 -30 C ATOM 0 H THR A 152 38.038 4.352 -1.017 1.00 15.50 H new ATOM 0 HA THR A 152 37.902 1.757 -0.507 1.00 15.13 H new ATOM 0 HB THR A 152 36.800 3.765 1.084 1.00 14.56 H new ATOM 0 HG1 THR A 152 38.900 4.273 0.893 1.00 15.75 H new ATOM 0 HG21 THR A 152 37.183 2.282 2.873 1.00 16.28 H new ATOM 0 HG22 THR A 152 36.218 1.618 1.807 1.00 16.28 H new ATOM 0 HG23 THR A 152 37.747 1.209 1.854 1.00 16.28 H new ATOM 1261 N PHE A 153 35.114 3.110 -1.243 1.00 15.00 N ANISOU 1261 N PHE A 153 2315 1421 1965 -644 -231 -163 N ATOM 1262 CA PHE A 153 33.801 2.800 -1.752 1.00 15.11 C ANISOU 1262 CA PHE A 153 2358 1446 1937 -544 -233 -106 C ATOM 1263 C PHE A 153 33.847 2.082 -3.114 1.00 15.68 C ANISOU 1263 C PHE A 153 2350 1710 1898 -625 -304 -172 C ATOM 1264 O PHE A 153 33.044 1.209 -3.428 1.00 17.84 O ANISOU 1264 O PHE A 153 2848 1754 2176 -887 -608 -123 O ATOM 1265 CB PHE A 153 32.933 4.046 -1.946 1.00 14.94 C ANISOU 1265 CB PHE A 153 2511 1544 1624 -418 21 281 C ATOM 1266 CG PHE A 153 32.267 4.605 -0.717 1.00 14.46 C ANISOU 1266 CG PHE A 153 2199 1704 1592 -474 -150 122 C ATOM 1267 CD1 PHE A 153 32.453 5.934 -0.364 1.00 15.67 C ANISOU 1267 CD1 PHE A 153 2570 1816 1567 -593 -269 -47 C ATOM 1268 CD2 PHE A 153 31.425 3.806 0.054 1.00 16.20 C ANISOU 1268 CD2 PHE A 153 2631 1995 1529 -726 -79 149 C ATOM 1269 CE1 PHE A 153 31.780 6.473 0.714 1.00 16.17 C ANISOU 1269 CE1 PHE A 153 2835 1729 1581 -363 -171 101 C ATOM 1270 CE2 PHE A 153 30.756 4.354 1.135 1.00 16.12 C ANISOU 1270 CE2 PHE A 153 2531 2202 1392 -718 -153 257 C ATOM 1271 CZ PHE A 153 30.923 5.671 1.462 1.00 16.24 C ANISOU 1271 CZ PHE A 153 2567 2070 1533 -312 -207 181 C ATOM 0 H PHE A 153 35.285 3.951 -1.192 1.00 15.00 H new ATOM 0 HA PHE A 153 33.417 2.221 -1.075 1.00 15.11 H new ATOM 0 HB2 PHE A 153 33.486 4.742 -2.334 1.00 14.94 H new ATOM 0 HB3 PHE A 153 32.243 3.836 -2.595 1.00 14.94 H new ATOM 0 HD1 PHE A 153 33.035 6.465 -0.857 1.00 15.67 H new ATOM 0 HD2 PHE A 153 31.313 2.907 -0.157 1.00 16.20 H new ATOM 0 HE1 PHE A 153 31.899 7.367 0.939 1.00 16.17 H new ATOM 0 HE2 PHE A 153 30.188 3.821 1.643 1.00 16.12 H new ATOM 0 HZ PHE A 153 30.463 6.032 2.185 1.00 16.24 H new ATOM 1272 N ARG A 154 34.784 2.486 -3.972 1.00 16.45 N ANISOU 1272 N ARG A 154 2617 1780 1853 -681 -138 -442 N ATOM 1273 CA ARG A 154 34.832 1.909 -5.309 1.00 15.73 C ANISOU 1273 CA ARG A 154 2558 1687 1731 -481 -397 -277 C ATOM 1274 C ARG A 154 35.251 0.463 -5.256 1.00 17.42 C ANISOU 1274 C ARG A 154 2685 1752 2180 -313 -507 -520 C ATOM 1275 O ARG A 154 34.667 -0.387 -6.008 1.00 17.68 O ANISOU 1275 O ARG A 154 2828 1754 2135 -514 -195 -578 O ATOM 1276 CB ARG A 154 35.802 2.683 -6.191 1.00 17.19 C ANISOU 1276 CB ARG A 154 2705 2129 1699 -446 -150 -337 C ATOM 1277 CG ARG A 154 35.818 2.257 -7.644 1.00 19.03 C ANISOU 1277 CG ARG A 154 3462 2135 1633 -514 -269 -279 C ATOM 1278 CD ARG A 154 36.684 3.120 -8.535 1.00 24.53 C ANISOU 1278 CD ARG A 154 4316 3395 1609 -1136 29 -230 C ATOM 1279 NE ARG A 154 38.053 3.222 -8.065 1.00 30.05 N ANISOU 1279 NE ARG A 154 3880 4992 2544 -1371 698 -750 N ATOM 1280 CZ ARG A 154 39.021 2.365 -8.305 1.00 30.60 C ANISOU 1280 CZ ARG A 154 3815 5501 2310 -1256 397 -1094 C ATOM 1281 NH1 ARG A 154 38.790 1.276 -9.044 1.00 42.30 N ANISOU 1281 NH1 ARG A 154 7004 5617 3449 -1249 1116 -1822 N ATOM 1282 NH2 ARG A 154 40.242 2.562 -7.821 1.00 42.56 N ANISOU 1282 NH2 ARG A 154 3752 7665 4755 -1723 -289 875 N ATOM 0 H ARG A 154 35.385 3.077 -3.804 1.00 16.45 H new ATOM 0 HA ARG A 154 33.940 1.965 -5.687 1.00 15.73 H new ATOM 0 HB2 ARG A 154 35.578 3.626 -6.146 1.00 17.19 H new ATOM 0 HB3 ARG A 154 36.697 2.586 -5.829 1.00 17.19 H new ATOM 0 HG2 ARG A 154 36.129 1.340 -7.698 1.00 19.03 H new ATOM 0 HG3 ARG A 154 34.910 2.269 -7.984 1.00 19.03 H new ATOM 0 HD2 ARG A 154 36.682 2.754 -9.433 1.00 24.53 H new ATOM 0 HD3 ARG A 154 36.299 4.009 -8.590 1.00 24.53 H new ATOM 0 HE ARG A 154 38.250 3.907 -7.584 1.00 30.05 H new ATOM 0 HH11 ARG A 154 38.005 1.133 -9.365 1.00 42.30 H new ATOM 0 HH12 ARG A 154 39.426 0.718 -9.198 1.00 42.30 H new ATOM 0 HH21 ARG A 154 40.408 3.258 -7.343 1.00 42.56 H new ATOM 0 HH22 ARG A 154 40.866 1.994 -7.985 1.00 42.56 H new ATOM 1283 N THR A 155 36.205 0.132 -4.389 1.00 17.88 N ANISOU 1283 N THR A 155 3031 1809 1954 -223 -394 -207 N ATOM 1284 CA THR A 155 36.835 -1.188 -4.403 1.00 18.29 C ANISOU 1284 CA THR A 155 3220 1861 1869 -9 -444 -465 C ATOM 1285 C THR A 155 36.429 -2.082 -3.251 1.00 18.47 C ANISOU 1285 C THR A 155 3206 1851 1961 -176 -708 -317 C ATOM 1286 O THR A 155 36.586 -3.310 -3.375 1.00 18.60 O ANISOU 1286 O THR A 155 2811 1861 2394 -379 -678 -312 O ATOM 1287 CB THR A 155 38.389 -1.064 -4.343 1.00 19.27 C ANISOU 1287 CB THR A 155 3207 2337 1777 68 -277 -473 C ATOM 1288 OG1 THR A 155 38.806 -0.520 -3.075 1.00 17.86 O ANISOU 1288 OG1 THR A 155 3018 2085 1681 -377 -172 -194 O ATOM 1289 CG2 THR A 155 38.921 -0.182 -5.459 1.00 22.05 C ANISOU 1289 CG2 THR A 155 3708 3023 1647 -104 37 -451 C ATOM 0 H THR A 155 36.504 0.661 -3.780 1.00 17.88 H new ATOM 0 HA THR A 155 36.530 -1.589 -5.232 1.00 18.29 H new ATOM 0 HB THR A 155 38.751 -1.957 -4.451 1.00 19.27 H new ATOM 0 HG1 THR A 155 38.579 0.288 -3.028 1.00 17.86 H new ATOM 0 HG21 THR A 155 39.887 -0.125 -5.394 1.00 22.05 H new ATOM 0 HG22 THR A 155 38.677 -0.563 -6.317 1.00 22.05 H new ATOM 0 HG23 THR A 155 38.539 0.706 -5.380 1.00 22.05 H new ATOM 1290 N GLY A 156 35.940 -1.611 -2.133 1.00 17.43 N ANISOU 1290 N GLY A 156 2841 1808 1975 -435 -555 -223 N ATOM 1291 CA GLY A 156 35.739 -2.450 -0.989 1.00 17.62 C ANISOU 1291 CA GLY A 156 2639 1741 2313 -399 -355 -87 C ATOM 1292 C GLY A 156 37.002 -3.070 -0.432 1.00 16.14 C ANISOU 1292 C GLY A 156 2542 1703 1885 -311 -52 -103 C ATOM 1293 O GLY A 156 36.927 -4.080 0.255 1.00 17.44 O ANISOU 1293 O GLY A 156 2595 1840 2193 -377 -46 103 O ATOM 0 H GLY A 156 35.714 -0.790 -2.016 1.00 17.43 H new ATOM 0 HA2 GLY A 156 35.314 -1.928 -0.291 1.00 17.62 H new ATOM 0 HA3 GLY A 156 35.122 -3.160 -1.228 1.00 17.62 H new ATOM 1294 N THR A 157 38.140 -2.425 -0.713 1.00 16.53 N ANISOU 1294 N THR A 157 2625 1608 2048 -442 -296 3 N ATOM 1295 CA THR A 157 39.422 -2.796 -0.157 1.00 15.82 C ANISOU 1295 CA THR A 157 2517 1658 1837 -366 -46 -198 C ATOM 1296 C THR A 157 40.032 -1.622 0.584 1.00 15.29 C ANISOU 1296 C THR A 157 2586 1595 1629 -315 -216 -46 C ATOM 1297 O THR A 157 39.603 -0.486 0.464 1.00 15.92 O ANISOU 1297 O THR A 157 2533 1586 1928 -369 -127 -127 O ATOM 1298 CB THR A 157 40.441 -3.212 -1.241 1.00 18.07 C ANISOU 1298 CB THR A 157 3021 2016 1830 -129 72 -293 C ATOM 1299 OG1 THR A 157 40.937 -2.014 -1.889 1.00 18.89 O ANISOU 1299 OG1 THR A 157 2962 2469 1747 -137 226 -80 O ATOM 1300 CG2 THR A 157 39.841 -4.170 -2.237 1.00 20.68 C ANISOU 1300 CG2 THR A 157 3273 2662 1920 -201 4 -566 C ATOM 0 H THR A 157 38.177 -1.749 -1.243 1.00 16.53 H new ATOM 0 HA THR A 157 39.249 -3.547 0.432 1.00 15.82 H new ATOM 0 HB THR A 157 41.177 -3.685 -0.823 1.00 18.07 H new ATOM 0 HG1 THR A 157 40.295 -1.593 -2.230 1.00 18.89 H new ATOM 0 HG21 THR A 157 40.508 -4.408 -2.900 1.00 20.68 H new ATOM 0 HG22 THR A 157 39.543 -4.970 -1.777 1.00 20.68 H new ATOM 0 HG23 THR A 157 39.085 -3.749 -2.676 1.00 20.68 H new ATOM 1301 N TRP A 158 41.101 -1.894 1.313 1.00 16.01 N ANISOU 1301 N TRP A 158 2316 1905 1862 -298 -75 -120 N ATOM 1302 CA TRP A 158 41.853 -0.875 2.041 1.00 15.36 C ANISOU 1302 CA TRP A 158 2360 1705 1772 -306 -113 -17 C ATOM 1303 C TRP A 158 43.038 -0.363 1.259 1.00 16.17 C ANISOU 1303 C TRP A 158 2478 1750 1917 -390 37 -275 C ATOM 1304 O TRP A 158 43.965 0.202 1.852 1.00 17.76 O ANISOU 1304 O TRP A 158 2545 2081 2124 -540 -223 -163 O ATOM 1305 CB TRP A 158 42.292 -1.463 3.363 1.00 17.43 C ANISOU 1305 CB TRP A 158 2736 2101 1786 -322 -169 -70 C ATOM 1306 CG TRP A 158 41.228 -1.752 4.349 1.00 16.25 C ANISOU 1306 CG TRP A 158 2800 1731 1644 -349 -233 -66 C ATOM 1307 CD1 TRP A 158 40.808 -2.951 4.833 1.00 17.78 C ANISOU 1307 CD1 TRP A 158 3199 1654 1901 -420 -121 -116 C ATOM 1308 CD2 TRP A 158 40.440 -0.754 5.019 1.00 16.42 C ANISOU 1308 CD2 TRP A 158 2820 1740 1680 -111 -169 195 C ATOM 1309 NE1 TRP A 158 39.801 -2.777 5.752 1.00 17.85 N ANISOU 1309 NE1 TRP A 158 3142 1825 1817 -478 -136 100 N ATOM 1310 CE2 TRP A 158 39.559 -1.429 5.885 1.00 16.52 C ANISOU 1310 CE2 TRP A 158 2886 1806 1586 -293 -198 110 C ATOM 1311 CE3 TRP A 158 40.411 0.631 4.938 1.00 16.91 C ANISOU 1311 CE3 TRP A 158 2842 1759 1823 -235 26 74 C ATOM 1312 CZ2 TRP A 158 38.652 -0.730 6.689 1.00 17.53 C ANISOU 1312 CZ2 TRP A 158 2796 2169 1697 -461 -183 -111 C ATOM 1313 CZ3 TRP A 158 39.513 1.301 5.737 1.00 17.90 C ANISOU 1313 CZ3 TRP A 158 2777 1898 2127 -67 -25 16 C ATOM 1314 CH2 TRP A 158 38.634 0.646 6.604 1.00 19.63 C ANISOU 1314 CH2 TRP A 158 3138 2138 2183 -369 348 -393 C ATOM 0 H TRP A 158 41.419 -2.688 1.403 1.00 16.01 H new ATOM 0 HA TRP A 158 41.277 -0.108 2.187 1.00 15.36 H new ATOM 0 HB2 TRP A 158 42.770 -2.288 3.183 1.00 17.43 H new ATOM 0 HB3 TRP A 158 42.925 -0.851 3.771 1.00 17.43 H new ATOM 0 HD1 TRP A 158 41.154 -3.775 4.577 1.00 17.78 H new ATOM 0 HE1 TRP A 158 39.391 -3.405 6.173 1.00 17.85 H new ATOM 0 HE3 TRP A 158 40.979 1.091 4.363 1.00 16.91 H new ATOM 0 HZ2 TRP A 158 38.077 -1.181 7.265 1.00 17.53 H new ATOM 0 HZ3 TRP A 158 39.490 2.230 5.698 1.00 17.90 H new ATOM 0 HH2 TRP A 158 38.038 1.137 7.122 1.00 19.63 H new ATOM 1315 N ASP A 159 43.042 -0.540 -0.053 1.00 16.98 N ANISOU 1315 N ASP A 159 2404 2155 1891 -333 82 -294 N ATOM 1316 CA ASP A 159 44.233 -0.159 -0.792 1.00 17.53 C ANISOU 1316 CA ASP A 159 2393 2019 2249 -247 265 -127 C ATOM 1317 C ASP A 159 44.688 1.277 -0.630 1.00 18.35 C ANISOU 1317 C ASP A 159 2395 2130 2448 -343 11 -405 C ATOM 1318 O ASP A 159 45.870 1.594 -0.722 1.00 20.02 O ANISOU 1318 O ASP A 159 2532 2269 2806 -447 355 -337 O ATOM 1319 CB ASP A 159 43.978 -0.421 -2.289 1.00 24.43 C ANISOU 1319 CB ASP A 159 3430 3449 2403 -1195 867 -1061 C ATOM 1320 CG ASP A 159 43.965 -1.897 -2.657 1.00 28.42 C ANISOU 1320 CG ASP A 159 3395 3720 3682 -812 1275 -1790 C ATOM 1321 OD1 ASP A 159 44.162 -2.747 -1.765 1.00 32.82 O ANISOU 1321 OD1 ASP A 159 4082 3271 5116 -254 789 -1455 O ATOM 1322 OD2 ASP A 159 43.748 -2.162 -3.857 1.00 38.18 O ANISOU 1322 OD2 ASP A 159 5638 4851 4019 -1254 1183 -2571 O ATOM 0 H ASP A 159 42.396 -0.865 -0.518 1.00 16.98 H new ATOM 0 HA ASP A 159 44.949 -0.698 -0.420 1.00 17.53 H new ATOM 0 HB2 ASP A 159 43.128 -0.026 -2.538 1.00 24.43 H new ATOM 0 HB3 ASP A 159 44.663 0.028 -2.809 1.00 24.43 H new ATOM 1323 N ALA A 160 43.745 2.204 -0.409 1.00 16.50 N ANISOU 1323 N ALA A 160 2500 2009 1761 -386 98 -138 N ATOM 1324 CA ALA A 160 44.132 3.609 -0.278 1.00 17.63 C ANISOU 1324 CA ALA A 160 2594 2003 2102 -384 41 -166 C ATOM 1325 C ALA A 160 44.713 3.967 1.068 1.00 17.69 C ANISOU 1325 C ALA A 160 2430 1957 2334 -338 -57 -299 C ATOM 1326 O ALA A 160 45.237 5.071 1.192 1.00 20.00 O ANISOU 1326 O ALA A 160 2904 2047 2650 -598 -197 -217 O ATOM 1327 CB ALA A 160 42.923 4.532 -0.520 1.00 19.29 C ANISOU 1327 CB ALA A 160 2766 1974 2590 -379 -240 -30 C ATOM 0 H ALA A 160 42.903 2.044 -0.334 1.00 16.50 H new ATOM 0 HA ALA A 160 44.822 3.737 -0.948 1.00 17.63 H new ATOM 0 HB1 ALA A 160 43.199 5.457 -0.429 1.00 19.29 H new ATOM 0 HB2 ALA A 160 42.577 4.385 -1.414 1.00 19.29 H new ATOM 0 HB3 ALA A 160 42.231 4.336 0.131 1.00 19.29 H new ATOM 1328 N TYR A 161 44.644 3.057 2.013 1.00 17.53 N ANISOU 1328 N TYR A 161 2515 1999 2147 -348 -42 -305 N ATOM 1329 CA TYR A 161 45.145 3.284 3.357 1.00 19.64 C ANISOU 1329 CA TYR A 161 3086 2049 2327 -216 -352 -468 C ATOM 1330 C TYR A 161 46.311 2.347 3.689 1.00 25.63 C ANISOU 1330 C TYR A 161 3963 3001 2774 625 -953 -722 C ATOM 1331 O TYR A 161 47.059 2.597 4.642 1.00 26.31 O ANISOU 1331 O TYR A 161 4424 2594 2979 79 -1322 -116 O ATOM 1332 CB TYR A 161 44.055 3.074 4.404 1.00 19.87 C ANISOU 1332 CB TYR A 161 3771 1839 1940 -268 -330 -6 C ATOM 1333 CG TYR A 161 43.061 4.179 4.366 1.00 17.50 C ANISOU 1333 CG TYR A 161 3148 1886 1614 -492 -75 -159 C ATOM 1334 CD1 TYR A 161 41.971 4.075 3.512 1.00 16.94 C ANISOU 1334 CD1 TYR A 161 2885 1922 1629 -647 149 -227 C ATOM 1335 CD2 TYR A 161 43.186 5.325 5.137 1.00 17.29 C ANISOU 1335 CD2 TYR A 161 3108 1882 1578 -447 -135 -79 C ATOM 1336 CE1 TYR A 161 41.044 5.082 3.465 1.00 15.70 C ANISOU 1336 CE1 TYR A 161 2714 1992 1259 -736 156 -213 C ATOM 1337 CE2 TYR A 161 42.271 6.323 5.076 1.00 15.84 C ANISOU 1337 CE2 TYR A 161 2935 1697 1385 -603 -109 -30 C ATOM 1338 CZ TYR A 161 41.188 6.221 4.231 1.00 15.51 C ANISOU 1338 CZ TYR A 161 2953 1569 1373 -722 -81 70 C ATOM 1339 OH TYR A 161 40.252 7.201 4.143 1.00 16.21 O ANISOU 1339 OH TYR A 161 2687 1960 1512 -572 117 -18 O ATOM 0 H TYR A 161 44.301 2.277 1.896 1.00 17.53 H new ATOM 0 HA TYR A 161 45.448 4.205 3.380 1.00 19.64 H new ATOM 0 HB2 TYR A 161 43.609 2.227 4.246 1.00 19.87 H new ATOM 0 HB3 TYR A 161 44.455 3.024 5.286 1.00 19.87 H new ATOM 0 HD1 TYR A 161 41.871 3.324 2.973 1.00 16.94 H new ATOM 0 HD2 TYR A 161 43.914 5.411 5.709 1.00 17.29 H new ATOM 0 HE1 TYR A 161 40.305 4.997 2.907 1.00 15.70 H new ATOM 0 HE2 TYR A 161 42.375 7.080 5.607 1.00 15.84 H new ATOM 0 HH TYR A 161 40.217 7.622 4.869 1.00 16.21 H new ATOM 1340 N LYS A 162 46.510 1.258 2.942 1.00 36.03 N ANISOU 1340 N LYS A 162 5102 3669 4918 1647 -2202 -1909 N ATOM 1341 CA LYS A 162 47.543 0.285 3.240 1.00 43.15 C ANISOU 1341 CA LYS A 162 4393 3653 8347 1359 -2787 -2308 C ATOM 1342 C LYS A 162 48.961 0.851 3.150 1.00 50.35 C ANISOU 1342 C LYS A 162 4643 4413 10076 1041 -1028 -3337 C ATOM 1343 O LYS A 162 49.287 1.673 2.293 1.00 84.98 O ANISOU 1343 O LYS A 162 14879 6808 10602 -3032 5141 -5140 O ATOM 1344 CB LYS A 162 47.402 -0.913 2.296 1.00 47.90 C ANISOU 1344 CB LYS A 162 5084 3983 9135 2131 -3493 -2867 C ATOM 1345 CG LYS A 162 46.082 -1.648 2.475 0.50 59.12 C ANISOU 1345 CG LYS A 162 7783 5148 9530 -400 -1877 -4147 C ATOM 1346 CD LYS A 162 46.255 -3.162 2.416 0.50 61.93 C ANISOU 1346 CD LYS A 162 8394 5263 9873 -30 -1010 -4498 C ATOM 1347 CE LYS A 162 45.016 -3.794 1.796 0.50 59.31 C ANISOU 1347 CE LYS A 162 8340 4394 9801 295 -900 -4782 C ATOM 1348 NZ LYS A 162 44.322 -4.741 2.713 0.50 45.33 N ANISOU 1348 NZ LYS A 162 5032 4089 8101 2179 -4336 -2729 N ATOM 0 H LYS A 162 46.042 1.069 2.245 1.00 36.03 H new ATOM 0 HA LYS A 162 47.414 0.014 4.162 1.00 43.15 H new ATOM 0 HB2 LYS A 162 47.476 -0.608 1.378 1.00 47.90 H new ATOM 0 HB3 LYS A 162 48.135 -1.530 2.450 1.00 47.90 H new ATOM 0 HG2 LYS A 162 45.689 -1.402 3.327 0.50 59.12 H new ATOM 0 HG3 LYS A 162 45.461 -1.368 1.785 0.50 59.12 H new ATOM 0 HD2 LYS A 162 47.040 -3.387 1.893 0.50 61.93 H new ATOM 0 HD3 LYS A 162 46.398 -3.515 3.308 0.50 61.93 H new ATOM 0 HE2 LYS A 162 44.398 -3.093 1.535 0.50 59.31 H new ATOM 0 HE3 LYS A 162 45.270 -4.264 0.986 0.50 59.31 H new ATOM 0 HZ1 LYS A 162 43.482 -4.856 2.441 0.50 45.33 H new ATOM 0 HZ2 LYS A 162 44.745 -5.524 2.708 0.50 45.33 H new ATOM 0 HZ3 LYS A 162 44.323 -4.409 3.539 0.50 45.33 H new TER 1349 LYS A 162 HETATM 1350 P PO4 A 166 29.418 0.437 -12.078 0.50 21.23 P ANISOU 1350 P PO4 A 166 3164 2791 2112 -331 592 706 P HETATM 1351 O1 PO4 A 166 29.116 1.550 -11.721 0.50 21.36 O ANISOU 1351 O1 PO4 A 166 4456 2338 1321 -2318 709 -1361 O HETATM 1352 O2 PO4 A 166 29.664 0.239 -14.020 0.50 20.19 O ANISOU 1352 O2 PO4 A 166 3280 1174 3217 -391 -1230 -413 O HETATM 1353 O3 PO4 A 166 30.710 0.089 -11.416 0.50 18.63 O ANISOU 1353 O3 PO4 A 166 3401 2216 1462 -1365 94 -556 O HETATM 1354 O4 PO4 A 166 28.030 -0.683 -12.003 0.50 23.94 O ANISOU 1354 O4 PO4 A 166 4573 1442 3080 -943 1977 -537 O HETATM 1355 NA NA A 172 42.013 16.966 11.617 0.80 18.51 NA ANISOU 1355 NA NA A 172 2852 2045 2137 -253 -161 -504 NA HETATM 1356 CL A CL A 173 42.652 16.279 1.862 0.70 17.73 CL ANISOU 1356 CL A CL A 173 2843 2065 1828 -477 -146 -167 CL HETATM 1357 CL B CL A 173 43.970 17.310 0.187 0.30 22.10 CL ANISOU 1357 CL B CL A 173 3539 2432 2425 -1200 -458 136 CL HETATM 1358 K K A 174 49.446 16.822 26.637 0.50 34.21 K ANISOU 1358 K K A 174 3987 5219 3792 -313 -347 -844 K HETATM 1359 CL CL A 178 30.881 19.862 -8.591 0.80 20.61 CL ANISOU 1359 CL CL A 178 2694 3023 2112 -469 49 567 CL HETATM 1360 O HOH A 169 35.816 18.934 2.799 1.00 22.22 O ANISOU 1360 O HOH A 169 3609 2646 2189 -318 181 395 O HETATM 1361 O HOH A 170 41.804 22.712 0.817 1.00 22.45 O ANISOU 1361 O HOH A 170 3479 2243 2807 -1136 -1174 323 O HETATM 1362 O HOH A 171 37.763 12.359 18.213 1.00 16.23 O ANISOU 1362 O HOH A 171 2802 1812 1551 -110 -11 -37 O HETATM 1363 O HOH A 175 40.905 1.911 0.243 1.00 19.53 O ANISOU 1363 O HOH A 175 2367 2139 2915 -479 42 -50 O HETATM 1364 O HOH A 176 40.299 24.109 27.975 1.00 24.86 O ANISOU 1364 O HOH A 176 4735 2554 2157 -84 353 -512 O HETATM 1365 O HOH A 179 39.903 12.928 19.889 1.00 15.43 O ANISOU 1365 O HOH A 179 2612 1599 1652 -243 126 19 O HETATM 1366 O HOH A 180 44.479 10.468 -1.876 1.00 19.84 O ANISOU 1366 O HOH A 180 2887 2548 2104 -365 497 109 O HETATM 1367 O HOH A 181 27.547 -6.647 5.050 1.00 17.04 O ANISOU 1367 O HOH A 181 3017 1800 1658 -594 -94 43 O HETATM 1368 O HOH A 182 33.312 12.879 22.466 1.00 20.00 O ANISOU 1368 O HOH A 182 4304 1545 1749 485 532 50 O HETATM 1369 O HOH A 183 33.339 10.865 28.807 1.00 16.89 O ANISOU 1369 O HOH A 183 2980 1928 1509 609 4 -169 O HETATM 1370 O HOH A 184 47.849 9.528 27.888 0.50 22.28 O ANISOU 1370 O HOH A 184 2766 3220 2481 366 -838 223 O HETATM 1371 O HOH A 186 39.876 5.422 20.550 1.00 25.43 O ANISOU 1371 O HOH A 186 4068 2417 3176 70 112 -457 O HETATM 1372 O HOH A 187 44.069 3.527 20.761 1.00 24.85 O ANISOU 1372 O HOH A 187 4014 2727 2702 -105 71 97 O HETATM 1373 O HOH A 188 39.113 22.332 -6.631 1.00 18.99 O ANISOU 1373 O HOH A 188 2247 2860 2110 -898 6 468 O HETATM 1374 O HOH A 189 50.149 17.756 19.685 0.50 32.66 O ANISOU 1374 O HOH A 189 1853 7992 2565 -210 -90 -2559 O HETATM 1375 O HOH A 190 35.742 27.158 15.824 1.00 21.52 O ANISOU 1375 O HOH A 190 3690 2355 2131 161 176 83 O HETATM 1376 O HOH A 191 37.540 29.267 14.635 0.50 19.30 O ANISOU 1376 O HOH A 191 4063 1352 1917 -456 979 -239 O HETATM 1377 O HOH A 192 43.345 25.585 9.851 1.00 22.76 O ANISOU 1377 O HOH A 192 4124 2828 1697 -1331 362 194 O HETATM 1378 O HOH A 193 48.813 15.750 -2.983 1.00 24.78 O ANISOU 1378 O HOH A 193 3705 2251 3458 -1033 1012 -207 O HETATM 1379 O HOH A 194 34.928 5.532 -10.726 1.00 23.07 O ANISOU 1379 O HOH A 194 3609 2738 2421 -322 -216 -132 O HETATM 1380 O HOH A 195 36.353 -1.400 11.346 1.00 21.34 O ANISOU 1380 O HOH A 195 3545 2241 2323 -665 -364 430 O HETATM 1381 O HOH A 196 45.760 19.810 30.810 0.50 19.89 O ANISOU 1381 O HOH A 196 3663 2588 1308 -792 -190 22 O HETATM 1382 O HOH A 197 23.797 13.489 -4.449 1.00 27.87 O ANISOU 1382 O HOH A 197 4573 3465 2551 -2627 -322 763 O HETATM 1383 O HOH A 200 33.149 18.678 22.722 1.00 33.43 O ANISOU 1383 O HOH A 200 4391 4188 4122 404 1137 -1927 O HETATM 1384 O HOH A 201 30.093 6.357 23.010 0.50 22.74 O ANISOU 1384 O HOH A 201 3145 3723 1773 -1046 1145 -1677 O HETATM 1385 O HOH A 202 30.499 11.854 20.901 0.50 26.22 O ANISOU 1385 O HOH A 202 5825 1744 2395 -56 -1764 -148 O HETATM 1386 O HOH A 203 37.164 19.194 13.203 1.00 18.46 O ANISOU 1386 O HOH A 203 3218 2174 1623 -500 142 94 O HETATM 1387 O HOH A 204 39.304 17.578 12.144 1.00 22.54 O ANISOU 1387 O HOH A 204 4190 2094 2281 -804 216 -77 O HETATM 1388 O HOH A 206 25.997 17.457 8.891 1.00 29.56 O ANISOU 1388 O HOH A 206 3728 3569 3936 477 -765 -943 O HETATM 1389 O HOH A 207 42.315 15.981 9.024 1.00 38.29 O ANISOU 1389 O HOH A 207 10088 2516 1945 -1538 379 -144 O HETATM 1390 O HOH A 208 35.202 11.543 4.672 1.00 16.00 O ANISOU 1390 O HOH A 208 2818 1867 1393 -534 -100 -12 O HETATM 1391 O HOH A 209 42.495 16.414 4.871 1.00 22.91 O ANISOU 1391 O HOH A 209 4898 2366 1441 -173 -242 -120 O HETATM 1392 O HOH A 210 34.598 -5.530 1.096 1.00 18.60 O ANISOU 1392 O HOH A 210 2624 1912 2530 -566 -197 -317 O HETATM 1393 O HOH A 211 46.376 9.347 -0.058 1.00 21.79 O ANISOU 1393 O HOH A 211 3109 2905 2264 -629 862 -305 O HETATM 1394 O HOH A 213 25.212 -1.499 -1.221 1.00 19.08 O ANISOU 1394 O HOH A 213 3460 1994 1795 -215 45 231 O HETATM 1395 O HOH A 214 21.927 -3.381 -1.863 0.50 19.11 O ANISOU 1395 O HOH A 214 3184 2392 1684 -1297 -645 400 O HETATM 1396 O HOH A 215 31.903 21.397 -5.872 1.00 15.74 O ANISOU 1396 O HOH A 215 1994 2483 1503 -454 214 465 O HETATM 1397 O HOH A 216 35.816 9.596 -8.363 1.00 18.98 O ANISOU 1397 O HOH A 216 2832 2371 2009 -744 105 -14 O HETATM 1398 O HOH A 217 33.370 -1.519 -9.880 1.00 21.10 O ANISOU 1398 O HOH A 217 3778 2360 1879 -452 -237 -165 O HETATM 1399 O HOH A 218 28.097 8.551 -11.900 1.00 22.00 O ANISOU 1399 O HOH A 218 3883 2660 1816 -697 -370 516 O HETATM 1400 O HOH A 219 27.479 11.416 -11.666 1.00 18.76 O ANISOU 1400 O HOH A 219 3377 2210 1539 -198 -442 179 O HETATM 1401 O HOH A 220 29.731 13.191 23.459 1.00 26.60 O ANISOU 1401 O HOH A 220 4645 2874 2588 -1283 -1123 892 O HETATM 1402 O HOH A 221 43.629 5.727 17.301 1.00 25.09 O ANISOU 1402 O HOH A 221 3997 2578 2959 -137 145 -265 O HETATM 1403 O HOH A 222 29.442 25.320 17.428 1.00 42.68 O ANISOU 1403 O HOH A 222 3947 7759 4509 1153 1067 1252 O HETATM 1404 O HOH A 223 41.846 -4.576 13.021 1.00 24.50 O ANISOU 1404 O HOH A 223 4654 1853 2803 76 384 223 O HETATM 1405 O HOH A 224 35.895 16.805 13.146 1.00 20.81 O ANISOU 1405 O HOH A 224 3263 2510 2134 -336 30 -295 O HETATM 1406 O HOH A 227 48.315 6.483 11.825 1.00 31.42 O ANISOU 1406 O HOH A 227 3338 5071 3530 -723 -225 -242 O HETATM 1407 O HOH A 228 47.648 11.316 10.005 1.00 35.62 O ANISOU 1407 O HOH A 228 3666 5010 4860 -1043 -446 -870 O HETATM 1408 O HOH A 230 43.174 13.792 5.808 0.50 13.88 O ANISOU 1408 O HOH A 230 3201 1308 766 -689 -4 -120 O HETATM 1409 O HOH A 231 41.934 -4.708 1.698 1.00 22.02 O ANISOU 1409 O HOH A 231 3781 2005 2580 96 65 -126 O HETATM 1410 O HOH A 232 46.390 6.664 -0.718 1.00 26.01 O ANISOU 1410 O HOH A 232 4251 2379 3252 -852 1356 -294 O HETATM 1411 O HOH A 233 44.289 7.884 -2.728 1.00 36.05 O ANISOU 1411 O HOH A 233 7240 3377 3081 -824 997 -836 O HETATM 1412 O HOH A 234 26.267 -7.611 7.390 1.00 39.77 O ANISOU 1412 O HOH A 234 7009 3352 4748 -1983 1507 586 O HETATM 1413 O HOH A 236 24.291 -2.496 -11.705 1.00 28.25 O ANISOU 1413 O HOH A 236 4777 2861 3096 -85 -788 -372 O HETATM 1414 O HOH A 237 40.109 16.187 6.522 1.00 26.88 O ANISOU 1414 O HOH A 237 4030 2308 3876 -1133 183 626 O HETATM 1415 O HOH A 238 34.672 -2.583 -7.648 1.00 19.36 O ANISOU 1415 O HOH A 238 3234 2222 1901 -530 -37 -491 O HETATM 1416 O HOH A 239 35.592 12.389 28.622 1.00 21.05 O ANISOU 1416 O HOH A 239 3282 2340 2376 249 -128 -332 O HETATM 1417 O HOH A 240 43.319 4.919 25.323 1.00 24.68 O ANISOU 1417 O HOH A 240 3992 3049 2338 -356 -447 242 O HETATM 1418 O HOH A 241 32.246 -1.632 9.873 1.00 48.68 O ANISOU 1418 O HOH A 241 5135 8370 4991 -2309 -422 2920 O HETATM 1419 O HOH A 242 24.844 9.936 17.258 0.50 28.62 O ANISOU 1419 O HOH A 242 2904 3771 4199 1149 -365 -1781 O HETATM 1420 O HOH A 243 48.927 14.256 13.352 1.00 31.55 O ANISOU 1420 O HOH A 243 3653 5098 3235 -1133 418 581 O HETATM 1421 O HOH A 244 46.233 4.429 11.714 1.00 21.30 O ANISOU 1421 O HOH A 244 3037 2806 2252 -154 -100 403 O HETATM 1422 O HOH A 246 30.824 16.388 20.585 1.00 28.02 O ANISOU 1422 O HOH A 246 3352 3624 3671 734 748 224 O HETATM 1423 O HOH A 247 45.201 28.112 15.400 0.50 31.62 O ANISOU 1423 O HOH A 247 4074 3817 4122 -1153 1505 -450 O HETATM 1424 O HOH A 248 38.431 -5.456 6.297 1.00 27.24 O ANISOU 1424 O HOH A 248 5213 1811 3325 -331 290 827 O HETATM 1425 O HOH A 249 37.997 10.162 -6.618 0.50 14.39 O ANISOU 1425 O HOH A 249 1970 1846 1651 -877 160 -294 O HETATM 1426 O HOH A 250 35.873 11.290 -10.608 1.00 26.21 O ANISOU 1426 O HOH A 250 3742 3527 2691 -848 341 1009 O HETATM 1427 O HOH A 251 33.702 12.783 -10.977 1.00 23.74 O ANISOU 1427 O HOH A 251 3544 3492 1983 -1449 6 201 O HETATM 1428 O HOH A 252 37.917 -4.642 -5.528 1.00 33.68 O ANISOU 1428 O HOH A 252 5517 3413 3869 594 -342 -1118 O HETATM 1429 O HOH A 253 18.504 6.040 1.465 1.00 31.94 O ANISOU 1429 O HOH A 253 4061 5477 2597 510 -441 -411 O HETATM 1430 O HOH A 254 24.526 16.381 11.549 1.00 39.62 O ANISOU 1430 O HOH A 254 4959 4270 5827 1163 238 -1087 O HETATM 1431 O HOH A 256 36.638 15.986 10.596 1.00 24.27 O ANISOU 1431 O HOH A 256 4071 2632 2520 -644 41 -223 O HETATM 1432 O HOH A 257 45.693 6.651 18.653 1.00 35.29 O ANISOU 1432 O HOH A 257 3637 5513 4260 50 -82 -365 O HETATM 1433 O HOH A 258 46.452 25.669 21.175 1.00 35.05 O ANISOU 1433 O HOH A 258 5594 4114 3608 -1205 -513 -673 O HETATM 1434 O HOH A 259 40.770 12.461 32.179 1.00 30.15 O ANISOU 1434 O HOH A 259 5015 3956 2485 -533 262 -96 O HETATM 1435 O HOH A 260 45.158 11.231 31.033 1.00 37.38 O ANISOU 1435 O HOH A 260 5110 6762 2330 -347 -834 1464 O HETATM 1436 O HOH A 261 38.078 5.792 -7.065 1.00 26.65 O ANISOU 1436 O HOH A 261 3485 3819 2823 -657 -52 -941 O HETATM 1437 O HOH A 262 48.974 8.573 10.434 1.00 39.65 O ANISOU 1437 O HOH A 262 3258 4928 6877 -1177 805 -569 O HETATM 1438 O HOH A 263 44.152 16.809 10.661 1.00 45.85 O ANISOU 1438 O HOH A 263 8158 3801 5463 -344 -737 2138 O HETATM 1439 O HOH A 264 44.403 14.294 32.296 1.00 38.74 O ANISOU 1439 O HOH A 264 6957 4712 3050 -1039 677 302 O HETATM 1440 O AHOH A 265 33.455 13.698 14.713 0.50 25.95 O ANISOU 1440 O AHOH A 265 5028 1994 2839 387 1426 -333 O HETATM 1441 O BHOH A 265 33.757 15.801 16.228 0.50 19.98 O ANISOU 1441 O BHOH A 265 2784 1546 3263 -642 1140 -704 O HETATM 1442 O HOH A 268 15.881 10.259 9.796 1.00 33.83 O ANISOU 1442 O HOH A 268 3570 4478 4806 451 271 -1171 O HETATM 1443 O HOH A 269 43.927 21.561 10.133 1.00 19.34 O ANISOU 1443 O HOH A 269 3298 2154 1895 -570 508 26 O HETATM 1444 O HOH A 270 29.950 18.366 -0.378 1.00 16.18 O ANISOU 1444 O HOH A 270 2363 1972 1812 -678 38 241 O HETATM 1445 O HOH A 271 36.677 7.051 -9.171 1.00 22.80 O ANISOU 1445 O HOH A 271 3380 2965 2317 -409 116 -208 O HETATM 1446 O HOH A 272 17.494 12.241 -6.371 1.00 43.84 O ANISOU 1446 O HOH A 272 4100 6407 6151 370 654 3351 O HETATM 1447 O HOH A 273 38.166 -6.339 1.328 1.00 22.60 O ANISOU 1447 O HOH A 273 2930 2440 3216 -421 -237 187 O HETATM 1448 O HOH A 274 31.417 11.969 15.155 1.00 29.01 O ANISOU 1448 O HOH A 274 5573 2728 2720 -260 301 -216 O HETATM 1449 O HOH A 276 19.150 11.426 0.846 1.00 32.60 O ANISOU 1449 O HOH A 276 4092 4566 3730 -595 290 816 O HETATM 1450 O HOH A 277 33.692 -4.564 -5.825 1.00 19.02 O ANISOU 1450 O HOH A 277 3161 1989 2077 -487 -265 -493 O HETATM 1451 O HOH A 279 19.217 15.935 -1.171 1.00 33.35 O ANISOU 1451 O HOH A 279 6340 3628 2702 784 464 945 O HETATM 1452 O HOH A 280 32.577 16.845 18.199 1.00 34.53 O ANISOU 1452 O HOH A 280 5452 3477 4189 -541 93 206 O HETATM 1453 O HOH A 281 31.631 20.574 21.791 0.50 22.69 O ANISOU 1453 O HOH A 281 3079 2181 3362 -275 1337 -279 O HETATM 1454 O HOH A 282 27.234 17.698 -7.618 1.00 27.48 O ANISOU 1454 O HOH A 282 3642 3373 3425 -516 281 -69 O HETATM 1455 O HOH A 283 43.929 3.760 15.499 1.00 24.64 O ANISOU 1455 O HOH A 283 4220 2611 2530 -222 -295 174 O HETATM 1456 O HOH A 284 49.755 11.956 26.614 1.00 28.95 O ANISOU 1456 O HOH A 284 2444 4646 3910 237 -214 -900 O HETATM 1457 O HOH A 287 29.537 12.373 13.250 0.50 25.55 O ANISOU 1457 O HOH A 287 3207 4389 2113 -362 66 -731 O HETATM 1458 O HOH A 288 43.690 -1.268 15.518 1.00 20.49 O ANISOU 1458 O HOH A 288 3729 2016 2041 -238 -228 -5 O HETATM 1459 O HOH A 289 20.419 10.043 13.226 0.50 21.59 O ANISOU 1459 O HOH A 289 3656 2269 2280 687 179 272 O HETATM 1460 O HOH A 290 20.952 -5.681 4.784 1.00 42.66 O ANISOU 1460 O HOH A 290 9068 3453 3687 -1801 80 314 O HETATM 1461 O HOH A 292 19.025 7.849 -2.217 1.00 30.97 O ANISOU 1461 O HOH A 292 3843 3500 4424 -899 1003 880 O HETATM 1462 O HOH A 294 47.238 1.970 10.462 1.00 32.52 O ANISOU 1462 O HOH A 294 4583 3651 4123 1359 630 44 O HETATM 1463 O HOH A 296 41.328 -6.321 5.845 1.00 24.94 O ANISOU 1463 O HOH A 296 4488 2434 2555 -277 -100 345 O HETATM 1464 O HOH A 297 40.212 -6.322 3.222 1.00 29.58 O ANISOU 1464 O HOH A 297 5851 2620 2767 -1777 -1589 508 O HETATM 1465 O AHOH A 298 44.812 15.894 14.671 0.50 18.60 O ANISOU 1465 O AHOH A 298 2602 2180 2283 -185 321 -122 O HETATM 1466 O BHOH A 298 43.085 15.642 14.988 0.50 16.37 O ANISOU 1466 O BHOH A 298 2649 1964 1606 -189 190 -59 O HETATM 1467 O HOH A 300 29.128 8.222 21.565 1.00 34.98 O ANISOU 1467 O HOH A 300 4101 6878 2313 -1524 750 -1524 O HETATM 1468 O HOH A 303 33.273 18.759 3.469 1.00 34.76 O ANISOU 1468 O HOH A 303 4362 4864 3979 -1408 471 -1743 O HETATM 1469 O HOH A 304 42.399 19.166 9.774 0.50 26.31 O ANISOU 1469 O HOH A 304 5310 1588 3100 -916 -141 115 O HETATM 1470 O HOH A 305 45.673 12.807 6.816 1.00 39.80 O ANISOU 1470 O HOH A 305 5049 4618 5456 -1249 -794 2147 O HETATM 1471 O HOH A 306 34.724 20.592 10.407 1.00 34.34 O ANISOU 1471 O HOH A 306 3888 4144 5014 -375 -928 -1021 O HETATM 1472 O AHOH A 307 31.665 18.958 19.764 0.50 29.86 O ANISOU 1472 O AHOH A 307 2921 3286 5138 49 367 255 O HETATM 1473 O BHOH A 307 30.051 20.090 18.296 0.50 37.76 O ANISOU 1473 O BHOH A 307 5691 4797 3858 -694 645 1607 O HETATM 1474 O HOH A 308 38.587 13.998 33.524 1.00 37.11 O ANISOU 1474 O HOH A 308 4602 6214 3284 155 -100 18 O HETATM 1475 O HOH A 309 34.944 27.114 0.961 0.50 20.68 O ANISOU 1475 O HOH A 309 2991 2901 1965 -906 -182 71 O HETATM 1476 O HOH A 316 18.285 8.823 0.227 1.00 31.49 O ANISOU 1476 O HOH A 316 4881 3644 3440 -873 370 41 O HETATM 1477 O AHOH A 317 33.265 16.135 13.142 0.50 19.43 O ANISOU 1477 O AHOH A 317 2097 2091 3192 -64 -516 -1528 O HETATM 1478 O BHOH A 317 33.448 18.220 11.343 0.50 32.38 O ANISOU 1478 O BHOH A 317 6744 2816 2743 -572 1047 -918 O HETATM 1479 O HOH A 318 34.515 -6.912 -4.349 0.50 17.49 O ANISOU 1479 O HOH A 318 3021 1901 1725 -217 -218 -23 O HETATM 1480 O HOH A 319 20.607 16.435 4.356 0.50 25.60 O ANISOU 1480 O HOH A 319 4332 2596 2798 -109 -475 135 O HETATM 1481 O AHOH A 320 39.415 7.958 -5.668 0.50 13.36 O ANISOU 1481 O AHOH A 320 2583 1580 912 -615 -4 -104 O HETATM 1482 O BHOH A 320 41.741 8.211 -7.106 0.50 28.85 O ANISOU 1482 O BHOH A 320 2933 4092 3936 -25 1201 360 O HETATM 1483 O HOH A 321 44.695 3.722 -3.757 1.00 40.46 O ANISOU 1483 O HOH A 321 5173 6232 3968 118 1555 418 O HETATM 1484 O HOH A 322 43.142 6.139 -4.199 0.50 23.17 O ANISOU 1484 O HOH A 322 1968 3050 3785 -312 523 -222 O HETATM 1485 O HOH A 324 35.235 27.001 6.436 1.00 44.33 O ANISOU 1485 O HOH A 324 4947 6371 5527 963 -672 2185 O HETATM 1486 O AHOH A 325 35.281 29.763 13.794 0.50 31.33 O ANISOU 1486 O AHOH A 325 5497 2987 3419 -802 1844 -340 O HETATM 1487 O BHOH A 325 38.682 31.749 14.853 0.50 19.63 O ANISOU 1487 O BHOH A 325 2822 1751 2885 -192 699 -376 O HETATM 1488 O HOH A 327 39.459 33.223 16.901 0.50 15.69 O ANISOU 1488 O HOH A 327 2689 1036 2236 -248 780 115 O HETATM 1489 O HOH A 328 41.114 9.166 29.552 1.00 28.56 O ANISOU 1489 O HOH A 328 4118 3023 3710 -425 161 536 O HETATM 1490 O HOH A 329 48.605 5.189 15.686 1.00 41.41 O ANISOU 1490 O HOH A 329 5460 5495 4779 1116 478 0 O HETATM 1491 O HOH A 332 39.341 30.395 11.720 1.00 28.71 O ANISOU 1491 O HOH A 332 5124 2663 3121 -54 199 -377 O HETATM 1492 O HOH A 333 34.177 15.534 -10.701 0.50 26.65 O ANISOU 1492 O HOH A 333 3286 2973 3866 -1383 -389 1283 O HETATM 1493 O HOH A 334 36.854 29.201 28.565 1.00 32.41 O ANISOU 1493 O HOH A 334 5465 3692 3157 -539 748 -1400 O HETATM 1494 O HOH A 336 47.123 5.660 24.849 1.00 40.75 O ANISOU 1494 O HOH A 336 5458 5398 4625 -216 -833 1464 O HETATM 1495 O HOH A 337 39.530 22.049 3.460 1.00 28.07 O ANISOU 1495 O HOH A 337 5470 3569 1626 -560 -497 1 O HETATM 1496 O HOH A 338 44.229 27.142 17.770 1.00 39.49 O ANISOU 1496 O HOH A 338 7544 4106 3356 -322 663 -503 O HETATM 1497 O HOH A 339 36.761 18.408 9.433 1.00 39.42 O ANISOU 1497 O HOH A 339 7963 4377 2639 993 659 427 O HETATM 1498 O HOH A 340 43.218 31.145 18.085 1.00 39.88 O ANISOU 1498 O HOH A 340 6673 2703 5777 -1221 75 608 O HETATM 1499 O HOH A 341 31.100 5.480 -13.960 0.50 21.95 O ANISOU 1499 O HOH A 341 4591 2593 1155 -852 32 -114 O HETATM 1500 O HOH A 342 49.620 17.667 29.130 0.50 23.06 O ANISOU 1500 O HOH A 342 3085 3483 2194 -864 -605 169 O HETATM 1501 O HOH A 345 39.403 10.675 30.694 1.00 33.53 O ANISOU 1501 O HOH A 345 3771 3872 5098 64 119 -983 O HETATM 1502 O HOH A 346 32.054 -6.245 -2.813 0.50 15.63 O ANISOU 1502 O HOH A 346 2667 1941 1331 -626 -4 16 O HETATM 1503 O AHOH A 347 36.249 18.925 6.689 0.50 20.55 O ANISOU 1503 O AHOH A 347 4045 2090 1674 -1166 102 -356 O HETATM 1504 O BHOH A 347 38.186 18.136 7.199 0.50 24.64 O ANISOU 1504 O BHOH A 347 4196 2717 2450 -630 314 -407 O HETATM 1505 O HOH A 348 46.985 17.698 29.843 0.50 25.61 O ANISOU 1505 O HOH A 348 3145 4097 2488 -42 127 623 O HETATM 1506 O HOH A 349 43.061 9.565 31.219 1.00 41.71 O ANISOU 1506 O HOH A 349 6611 5628 3608 -1036 301 511 O HETATM 1507 O HOH A 350 31.214 20.257 2.394 1.00 29.60 O ANISOU 1507 O HOH A 350 4772 3759 2717 -1106 120 410 O HETATM 1508 O HOH A 351 47.689 24.017 18.066 1.00 35.23 O ANISOU 1508 O HOH A 351 4066 6423 2896 -1560 -685 962 O HETATM 1509 O HOH A 352 35.299 16.953 -8.859 0.50 23.78 O ANISOU 1509 O HOH A 352 4290 2915 1829 -1181 951 360 O HETATM 1510 O HOH A 353 51.106 19.912 30.026 1.00 43.58 O ANISOU 1510 O HOH A 353 7830 4885 3841 -455 -2165 520 O HETATM 1511 O HOH A 354 44.096 17.732 7.095 1.00 33.37 O ANISOU 1511 O HOH A 354 5984 2886 3809 -1179 -646 827 O HETATM 1512 O HOH A 355 36.608 11.087 30.999 1.00 36.39 O ANISOU 1512 O HOH A 355 4133 6062 3632 1686 -321 -1999 O HETATM 1513 O HOH A 358 28.260 1.880 -15.672 1.00 33.24 O ANISOU 1513 O HOH A 358 6412 3420 2797 -1113 -432 -334 O HETATM 1514 O HOH A 359 46.411 -3.245 13.435 1.00 36.26 O ANISOU 1514 O HOH A 359 4783 4270 4723 699 541 803 O HETATM 1515 O HOH A 361 28.004 9.981 23.535 1.00 31.40 O ANISOU 1515 O HOH A 361 5369 2950 3611 -163 -1609 -64 O HETATM 1516 O HOH A 362 46.626 16.175 32.244 1.00 36.58 O ANISOU 1516 O HOH A 362 5831 4678 3390 -1116 747 166 O HETATM 1517 O HOH A 364 29.504 7.707 -14.202 0.50 21.83 O ANISOU 1517 O HOH A 364 3469 3591 1236 -1450 89 -190 O HETATM 1518 O HOH A 365 36.091 -6.025 -2.377 1.00 33.78 O ANISOU 1518 O HOH A 365 6466 3029 3341 -1518 -1720 251 O HETATM 1519 O HOH A 367 42.332 -6.181 -0.590 1.00 37.71 O ANISOU 1519 O HOH A 367 6324 4542 3463 1292 -817 -1031 O HETATM 1520 O HOH A 370 41.820 33.206 15.553 1.00 32.14 O ANISOU 1520 O HOH A 370 4923 3091 4197 -335 940 -780 O HETATM 1521 O HOH A 371 50.949 14.546 26.929 0.50 32.45 O ANISOU 1521 O HOH A 371 3091 3952 5285 167 -1790 -1013 O HETATM 1522 O HOH A 374 30.376 3.869 -15.938 0.50 32.84 O ANISOU 1522 O HOH A 374 7289 2707 2480 -2377 1025 -851 O HETATM 1523 O HOH A 376 19.860 5.447 -1.052 0.50 35.92 O ANISOU 1523 O HOH A 376 5385 3760 4502 -174 2977 603 O HETATM 1524 O HOH A 378 37.073 20.852 4.431 1.00 26.85 O ANISOU 1524 O HOH A 378 4449 3729 2025 806 -324 -155 O HETATM 1525 O HOH A 382 47.858 21.255 18.221 1.00 29.56 O ANISOU 1525 O HOH A 382 4396 3916 2919 -1012 432 -162 O HETATM 1526 O HOH A 383 45.060 14.211 3.312 0.50 27.75 O ANISOU 1526 O HOH A 383 5229 2932 2384 -1877 -606 1013 O HETATM 1527 O HOH A 384 40.118 20.767 36.847 1.00 45.11 O ANISOU 1527 O HOH A 384 9265 5429 2445 -941 -1360 -866 O HETATM 1528 O HOH A 387 49.059 14.521 32.538 0.50 35.31 O ANISOU 1528 O HOH A 387 4612 3807 4998 472 -1478 -1393 O HETATM 1529 O HOH A 388 45.276 17.420 12.563 0.50 25.52 O ANISOU 1529 O HOH A 388 4101 3270 2327 -1328 810 -262 O HETATM 1530 O HOH A 389 35.989 25.477 32.534 1.00 52.49 O ANISOU 1530 O HOH A 389 6853 6499 6590 252 1427 -3457 O HETATM 1531 O HOH A 391 23.065 4.434 -12.454 1.00 50.31 O ANISOU 1531 O HOH A 391 5721 5351 8045 254 -1554 3052 O HETATM 1532 O HOH A 392 40.810 34.011 23.342 1.00 47.59 O ANISOU 1532 O HOH A 392 7958 5971 4154 -480 -1428 -213 O HETATM 1533 O AHOH A 394 50.306 8.217 17.557 0.50 35.90 O ANISOU 1533 O AHOH A 394 5232 3984 4425 -130 251 -754 O HETATM 1534 O BHOH A 394 48.066 7.180 17.492 0.50 23.37 O ANISOU 1534 O BHOH A 394 3656 3101 2122 73 -18 765 O HETATM 1535 O HOH A 396 17.414 12.372 10.578 1.00 60.42 O ANISOU 1535 O HOH A 396 8215 7393 7349 -161 2150 -2048 O HETATM 1536 O HOH A 397 38.278 34.111 23.066 0.50 30.05 O ANISOU 1536 O HOH A 397 5378 3322 2717 -1855 912 -678 O HETATM 1537 O HOH A 398 46.206 11.675 -3.672 1.00 35.56 O ANISOU 1537 O HOH A 398 5569 4599 3342 -265 1019 427 O HETATM 1538 O HOH A 401 43.008 19.490 35.133 0.50 24.14 O ANISOU 1538 O HOH A 401 3574 3928 1670 -742 -71 -1251 O HETATM 1539 O HOH A 402 36.229 29.299 9.650 1.00 36.91 O ANISOU 1539 O HOH A 402 4565 2850 6609 608 -708 -710 O HETATM 1540 O HOH A 403 22.506 -2.028 -9.712 1.00 29.64 O ANISOU 1540 O HOH A 403 3854 3943 3465 -426 -717 -496 O HETATM 1541 O HOH A 405 44.840 7.316 31.649 0.50 31.91 O ANISOU 1541 O HOH A 405 3854 4344 3927 295 -1145 1359 O HETATM 1542 O HOH A 408 38.181 12.883 -10.555 1.00 42.67 O ANISOU 1542 O HOH A 408 4388 5520 6305 -953 564 473 O HETATM 1543 O HOH A 411 20.085 10.794 15.857 1.00 46.14 O ANISOU 1543 O HOH A 411 7198 5601 4732 -205 63 -1783 O HETATM 1544 O HOH A 412 45.151 28.952 19.320 1.00 44.19 O ANISOU 1544 O HOH A 412 7494 4499 4799 -1375 628 -196 O HETATM 1545 O HOH A 413 33.936 2.385 -15.018 1.00 32.99 O ANISOU 1545 O HOH A 413 4559 5298 2677 -47 192 427 O HETATM 1546 O HOH A 414 37.158 26.939 30.336 0.50 31.20 O ANISOU 1546 O HOH A 414 4176 3848 3832 -529 987 -2254 O HETATM 1547 O HOH A 415 32.877 17.390 -12.367 1.00 48.24 O ANISOU 1547 O HOH A 415 6518 5740 6072 1183 -1272 2256 O HETATM 1548 O HOH A 416 47.651 15.147 1.400 0.50 32.01 O ANISOU 1548 O HOH A 416 3392 4070 4702 -1623 784 -2152 O HETATM 1549 O HOH A 417 49.955 6.233 13.788 1.00 41.03 O ANISOU 1549 O HOH A 417 4300 5643 5648 135 278 -125 O HETATM 1550 O HOH A 421 33.379 12.906 -13.768 0.50 27.68 O ANISOU 1550 O HOH A 421 4604 4304 1611 -1814 -439 510 O HETATM 1551 O HOH A 422 25.833 7.516 -13.128 1.00 35.54 O ANISOU 1551 O HOH A 422 4269 5916 3318 -1142 -1156 825 O HETATM 1552 O HOH A 423 39.623 11.615 -8.289 0.75 23.01 O ANISOU 1552 O HOH A 423 3512 2843 2390 -1137 286 -16 O HETATM 1553 O HOH A 424 39.240 34.046 20.455 0.50 29.94 O ANISOU 1553 O HOH A 424 4395 2161 4820 -1123 -253 1140 O HETATM 1554 O HOH A 425 46.500 24.766 23.910 1.00 33.67 O ANISOU 1554 O HOH A 425 5451 4262 3079 -1026 970 -478 O HETATM 1555 O HOH A 429 21.710 -3.476 -5.116 0.50 23.37 O ANISOU 1555 O HOH A 429 4007 2537 2335 34 65 -223 O HETATM 1556 O HOH A 430 50.675 13.011 16.183 0.50 28.61 O ANISOU 1556 O HOH A 430 2182 3472 5217 157 44 920 O HETATM 1557 O AHOH A 431 50.292 11.696 21.345 0.50 35.10 O ANISOU 1557 O AHOH A 431 5078 3893 4364 295 767 -652 O HETATM 1558 O BHOH A 431 51.618 11.626 24.049 0.50 26.67 O ANISOU 1558 O BHOH A 431 3219 3953 2962 196 -28 -477 O HETATM 1559 O HOH A 433 49.695 11.681 31.213 1.00 56.85 O ANISOU 1559 O HOH A 433 6091 7922 7588 -1021 -1421 794 O HETATM 1560 O HOH A 434 32.881 32.890 24.228 1.00 47.43 O ANISOU 1560 O HOH A 434 8722 3752 5547 1337 1480 -519 O HETATM 1561 O HOH A 436 43.586 -5.199 -2.832 1.00 39.20 O ANISOU 1561 O HOH A 436 5998 2864 6034 303 962 9 O HETATM 1562 O HOH A 437 36.556 0.068 -10.391 1.00 30.35 O ANISOU 1562 O HOH A 437 3865 4090 3577 -491 313 -1158 O HETATM 1563 O HOH A 441 16.648 4.669 10.624 1.00 41.72 O ANISOU 1563 O HOH A 441 5123 5265 5466 8 921 827 O HETATM 1564 O HOH A 444 14.475 4.309 5.905 1.00 41.11 O ANISOU 1564 O HOH A 444 4767 4522 6330 -465 1480 -229 O HETATM 1565 O AHOH A 445 30.086 22.178 16.664 0.50 31.22 O ANISOU 1565 O AHOH A 445 4590 3754 3518 -298 1033 534 O HETATM 1566 O BHOH A 445 28.790 21.278 14.879 0.50 37.51 O ANISOU 1566 O BHOH A 445 3875 5360 5018 673 -166 206 O HETATM 1567 O HOH A 446 42.112 31.956 25.740 1.00 49.02 O ANISOU 1567 O HOH A 446 7420 4974 6232 -62 2083 -105 O HETATM 1568 O HOH A 449 47.312 4.180 21.569 1.00 36.92 O ANISOU 1568 O HOH A 449 4261 3974 5794 -60 784 -917 O HETATM 1569 O HOH A 450 33.400 20.065 5.827 1.00 46.15 O ANISOU 1569 O HOH A 450 8102 6316 3118 -2525 354 -880 O HETATM 1570 O HOH A 451 44.869 -3.557 5.009 1.00 32.92 O ANISOU 1570 O HOH A 451 4126 4885 3498 -450 -167 1047 O HETATM 1571 O HOH A 459 44.064 13.944 35.000 1.00 53.82 O ANISOU 1571 O HOH A 459 7542 9078 3830 -947 290 -443 O HETATM 1572 O HOH A 460 18.086 2.204 14.352 1.00 48.60 O ANISOU 1572 O HOH A 460 5652 7019 5795 -1914 356 518 O HETATM 1573 O HOH A 462 47.662 -0.179 -2.002 1.00 51.55 O ANISOU 1573 O HOH A 462 5910 7213 6462 1348 1561 -1451 O HETATM 1574 O HOH A 466 40.325 16.983 37.678 1.00 49.23 O ANISOU 1574 O HOH A 466 8133 6846 3725 -688 -277 1434 O HETATM 1575 O HOH A 469 34.023 5.636 -14.227 1.00 46.68 O ANISOU 1575 O HOH A 469 7441 3810 6484 1006 3067 -480 O HETATM 1576 O HOH A 473 41.854 18.819 37.312 0.50 36.29 O ANISOU 1576 O HOH A 473 5389 5714 2686 -528 -1659 330 O HETATM 1577 O HOH A 475 30.490 13.606 16.694 1.00 41.08 O ANISOU 1577 O HOH A 475 7710 4016 3883 160 -2005 -147 O HETATM 1578 O HOH A 478 50.574 13.805 -2.350 0.50 31.31 O ANISOU 1578 O HOH A 478 3741 2862 5293 -558 62 1429 O HETATM 1579 O HOH A 485 46.284 2.323 22.985 1.00 46.18 O ANISOU 1579 O HOH A 485 5065 5211 7271 740 166 592 O HETATM 1580 O HOH A 486 32.565 7.399 27.951 1.00 20.31 O ANISOU 1580 O HOH A 486 3379 2176 2163 314 338 39 O HETATM 1581 O HOH A 487 49.033 7.239 27.193 0.50 34.01 O ANISOU 1581 O HOH A 487 4196 4703 4022 1642 1001 -303 O HETATM 1582 O HOH A 488 30.062 -3.894 9.682 0.50 15.15 O ANISOU 1582 O HOH A 488 2963 1708 1084 33 -170 335 O HETATM 1583 O HOH A 490 46.390 3.807 14.365 1.00 24.99 O ANISOU 1583 O HOH A 490 3679 2971 2845 -19 -529 -51 O HETATM 1584 O HOH A 491 29.814 25.962 21.651 1.00 35.16 O ANISOU 1584 O HOH A 491 5546 3814 4000 -300 18 373 O HETATM 1585 O HOH A 492 18.534 13.264 7.075 1.00 33.38 O ANISOU 1585 O HOH A 492 4600 3291 4794 672 227 300 O HETATM 1586 O HOH A 493 40.080 18.943 9.587 0.50 23.77 O ANISOU 1586 O HOH A 493 5733 1479 1818 -20 782 -50 O HETATM 1587 O AHOH A 494 28.174 -2.635 11.333 0.50 21.34 O ANISOU 1587 O AHOH A 494 3501 2124 2484 -67 -771 966 O HETATM 1588 O BHOH A 494 25.976 -3.810 11.454 0.50 24.60 O ANISOU 1588 O BHOH A 494 3483 2466 3398 -320 182 -221 O HETATM 1589 O HOH A 496 22.516 -6.054 6.427 0.50 20.95 O ANISOU 1589 O HOH A 496 3309 2173 2479 -770 105 835 O HETATM 1590 O HOH A 498 34.679 15.207 35.959 1.00 50.23 O ANISOU 1590 O HOH A 498 8206 7394 3487 -3557 1491 300 O HETATM 1591 O HOH A 505 35.729 35.364 23.386 0.50 40.06 O ANISOU 1591 O HOH A 505 7161 4327 3734 -535 -931 -101 O HETATM 1592 O HOH A 506 49.331 25.905 19.543 1.00 53.68 O ANISOU 1592 O HOH A 506 7539 6224 6632 -1828 -3461 2364 O HETATM 1593 O HOH A 507 30.830 9.669 -15.854 0.50 30.74 O ANISOU 1593 O HOH A 507 6259 4137 1286 -2278 236 228 O HETATM 1594 O HOH A 508 41.180 5.847 -9.251 1.00 42.18 O ANISOU 1594 O HOH A 508 5522 6358 4146 -715 896 -63 O HETATM 1595 O AHOH A 510 41.013 33.988 12.321 0.50 32.38 O ANISOU 1595 O AHOH A 510 5126 3399 3778 489 1300 -75 O HETATM 1596 O BHOH A 510 43.917 33.866 12.386 0.50 32.12 O ANISOU 1596 O BHOH A 510 6226 2638 3341 -660 1012 14 O HETATM 1597 O HOH A 514 47.357 11.518 4.870 1.00 56.63 O ANISOU 1597 O HOH A 514 3620 9307 8590 688 -1216 1303 O HETATM 1598 O HOH A 515 50.564 11.437 13.137 1.00 46.36 O ANISOU 1598 O HOH A 515 6320 4140 7155 -1855 2357 -1019 O HETATM 1599 O HOH A 516 18.486 0.102 -14.275 1.00 46.51 O ANISOU 1599 O HOH A 516 3877 7003 6791 -633 -383 491 O HETATM 1600 O HOH A 517 41.346 4.630 -6.979 1.00 47.62 O ANISOU 1600 O HOH A 517 9185 5031 3878 1138 1757 -1053 O HETATM 1601 O HOH A 518 30.952 29.704 12.755 1.00 46.28 O ANISOU 1601 O HOH A 518 5552 5691 6343 46 -858 2771 O HETATM 1602 O HOH A 519 27.969 6.860 -16.214 0.50 40.09 O ANISOU 1602 O HOH A 519 7446 4311 3476 -1710 -2802 95 O HETATM 1603 O HOH A 520 21.383 4.407 16.505 1.00 40.65 O ANISOU 1603 O HOH A 520 4316 6642 4488 -785 -231 -1143 O HETATM 1604 O HOH A 521 17.044 9.192 -6.049 1.00 40.35 O ANISOU 1604 O HOH A 521 5231 4152 5949 -881 412 147 O HETATM 1605 O HOH A 524 16.156 12.718 0.649 1.00 52.46 O ANISOU 1605 O HOH A 524 6352 6052 7527 199 2096 -890 O HETATM 1606 O HOH A 527 18.561 3.489 -11.467 0.50 32.91 O ANISOU 1606 O HOH A 527 5032 4101 3370 -355 174 168 O HETATM 1607 O HOH A 529 51.348 13.369 20.363 0.50 31.98 O ANISOU 1607 O HOH A 529 4004 4942 3204 -251 -318 261 O HETATM 1608 O HOH A 530 38.156 12.103 27.694 1.00 34.24 O ANISOU 1608 O HOH A 530 5413 3775 3820 222 601 23 O HETATM 1609 O HOH A 531 15.417 11.580 7.413 1.00 57.53 O ANISOU 1609 O HOH A 531 10279 5630 5949 -742 -186 2829 O HETATM 1610 O HOH A 532 39.614 11.115 -12.819 1.00 52.49 O ANISOU 1610 O HOH A 532 6138 8042 5763 -1068 657 143 O HETATM 1611 O HOH A 533 52.153 7.222 14.989 1.00 57.13 O ANISOU 1611 O HOH A 533 8551 7438 5718 -278 -821 1228 O HETATM 1612 O HOH A 534 45.566 29.293 24.433 1.00 45.64 O ANISOU 1612 O HOH A 534 6737 4597 6006 -899 514 -786 O HETATM 1613 O HOH A 537 47.427 1.264 14.846 1.00 41.14 O ANISOU 1613 O HOH A 537 5894 4699 5038 2218 -1011 511 O HETATM 1614 O HOH A 538 47.981 5.575 -2.197 1.00 46.72 O ANISOU 1614 O HOH A 538 5834 5715 6205 -927 1121 -359 O HETATM 1615 O HOH A 540 36.447 13.319 37.543 1.00 52.01 O ANISOU 1615 O HOH A 540 6907 6412 6441 1304 1206 -1292 O CONECT 99 1355 CONECT 164 1355 CONECT 486 1358 CONECT 1350 1351 1352 1353 1354 CONECT 1351 1350 CONECT 1352 1350 CONECT 1353 1350 CONECT 1354 1350 CONECT 1355 99 164 1387 1389 CONECT 1355 1438 1469 CONECT 1358 486 1500 1521 CONECT 1387 1355 CONECT 1389 1355 CONECT 1438 1355 CONECT 1469 1355 CONECT 1500 1358 CONECT 1521 1358 END