USER MOD reduce.3.24.130724 H: found=0, std=0, add=1021, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSFERASE 30-JUN-13 4LH4 TITLE DUAL INHIBITION OF HIV-1 REPLICATION BY INTEGRASE-LEDGF ALLOSTERIC TITLE 2 INHIBITORS IS PREDOMINANT AT POST-INTEGRATION STAGE DURING VIRUS TITLE 3 PRODUCTION RATHER THAN AT INTEGRATION COMPND MOL_ID: 1; COMPND 2 MOLECULE: INTEGRASE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 50-212; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; SOURCE 3 ORGANISM_TAXID: 11676; SOURCE 4 GENE: POL; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET KEYWDS INTEGRASE, TRANSFERASE EXPDTA X-RAY DIFFRACTION AUTHOR M.RUFF,N.LEVY,S.EILER REVDAT 1 25-DEC-13 4LH4 0 JRNL AUTH E.LE ROUZIC,D.BONNARD,S.CHASSET,J.M.BRUNEAU,F.CHEVREUIL, JRNL AUTH 2 F.LE STRAT,J.NGUYEN,R.BEAUVOIR,C.AMADORI,J.BRIAS, JRNL AUTH 3 S.VOMSCHEID,S.EILER,N.LEVY,O.DELELIS,E.DEPREZ,A.SAIB, JRNL AUTH 4 A.ZAMBORLINI,S.EMILIANI,M.RUFF,B.LEDOUSSAL,F.MOREAU, JRNL AUTH 5 R.BENAROUS JRNL TITL DUAL INHIBITION OF HIV-1 REPLICATION BY INTEGRASE-LEDGF JRNL TITL 2 ALLOSTERIC INHIBITORS IS PREDOMINANT AT THE POST-INTEGRATION JRNL TITL 3 STAGE. JRNL REF RETROVIROLOGY V. 10 144 2013 JRNL REFN ESSN 1742-4690 JRNL PMID 24261564 JRNL DOI 10.1186/1742-4690-10-144 REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.7.0032 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 28.27 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 94.4 REMARK 3 NUMBER OF REFLECTIONS : 16757 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.202 REMARK 3 R VALUE (WORKING SET) : 0.200 REMARK 3 FREE R VALUE : 0.247 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 882 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.85 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1295 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 100.00 REMARK 3 BIN R VALUE (WORKING SET) : 0.2590 REMARK 3 BIN FREE R VALUE SET COUNT : 68 REMARK 3 BIN FREE R VALUE : 0.3400 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1020 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 1 REMARK 3 SOLVENT ATOMS : 169 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 40.50 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.00000 REMARK 3 B22 (A**2) : 0.00000 REMARK 3 B33 (A**2) : -0.00000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : -0.00000 REMARK 3 B23 (A**2) : -0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.118 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.123 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.090 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.035 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.957 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.936 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1039 ; 0.023 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 1024 ; 0.001 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1407 ; 2.354 ; 1.937 REMARK 3 BOND ANGLES OTHERS (DEGREES): 2343 ; 0.986 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 128 ; 5.720 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 41 ;32.612 ;24.390 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 177 ;15.992 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 4 ;19.193 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 166 ; 0.205 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1140 ; 0.010 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 230 ; 0.001 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 521 ; 4.003 ; 3.524 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 520 ; 4.004 ; 3.520 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 646 ; 5.281 ; 5.252 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): 647 ; 5.278 ; 5.255 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 518 ; 5.843 ; 4.156 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): 519 ; 5.838 ; 4.156 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): 762 ; 8.527 ; 5.944 REMARK 3 LONG RANGE B REFINED ATOMS (A**2): 1323 ;10.887 ;31.781 REMARK 3 LONG RANGE B OTHER ATOMS (A**2): 1271 ;10.842 ;30.808 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 4LH4 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-JUL-13. REMARK 100 THE RCSB ID CODE IS RCSB080622. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 10-OCT-11 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SLS REMARK 200 BEAMLINE : X06DA REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9191 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 225 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XDS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 16757 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 28.270 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 88.7 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : 0.03900 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.96 REMARK 200 COMPLETENESS FOR SHELL (%) : 65.0 REMARK 200 DATA REDUNDANCY IN SHELL : 5.17 REMARK 200 R MERGE FOR SHELL (I) : 0.14100 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 6.760 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: PDB ENTRY 1BHL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 49.74 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.45 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 1.16-1.36 M AMMONIUM SULFATE, 50 MM REMARK 280 SODIUM CACODYLATE-HCL PH6.5, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 297K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 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+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+2/3 REMARK 290 6555 -X,-X+Y,-Z+1/3 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 21.63967 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 43.27933 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 43.27933 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 21.63967 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3100 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 11760 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -35.0 KCAL/MOL 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 350 BIOMT1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 350 BIOMT2 2 -0.866025 0.500000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 -43.27933 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 554 LIES ON A SPECIAL POSITION. 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 MET A 31 REMARK 465 GLY A 32 REMARK 465 SER A 33 REMARK 465 SER A 34 REMARK 465 HIS A 35 REMARK 465 HIS A 36 REMARK 465 HIS A 37 REMARK 465 HIS A 38 REMARK 465 HIS A 39 REMARK 465 HIS A 40 REMARK 465 SER A 41 REMARK 465 SER A 42 REMARK 465 GLY A 43 REMARK 465 LEU A 44 REMARK 465 VAL A 45 REMARK 465 PRO A 46 REMARK 465 ARG A 47 REMARK 465 GLY A 48 REMARK 465 SER A 49 REMARK 465 MET A 50 REMARK 465 HIS A 51 REMARK 465 GLY A 52 REMARK 465 GLN A 53 REMARK 465 VAL A 54 REMARK 465 ASP A 55 REMARK 465 CYS A 56 REMARK 465 GLU A 138 REMARK 465 PHE A 139 REMARK 465 GLY A 140 REMARK 465 ILE A 141 REMARK 465 PRO A 142 REMARK 465 TYR A 143 REMARK 465 ASN A 144 REMARK 465 PRO A 145 REMARK 465 GLN A 146 REMARK 465 SER A 147 REMARK 465 GLN A 148 REMARK 465 GLY A 149 REMARK 465 VAL A 150 REMARK 465 VAL A 151 REMARK 465 GLU A 152 REMARK 465 SER A 153 REMARK 465 GLY A 189 REMARK 465 GLY A 190 REMARK 465 ILE A 191 REMARK 465 GLY A 192 REMARK 465 GLY A 193 REMARK 465 GLN A 209 REMARK 465 THR A 210 REMARK 465 LYS A 211 REMARK 465 GLU A 212 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ASN A 155 CG OD1 ND2 REMARK 470 LYS A 156 CG CD CE NZ REMARK 470 LYS A 188 CD CE NZ REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 462 O HOH A 559 1.82 REMARK 500 N SER A 57 O HOH A 561 2.10 REMARK 500 N TYR A 194 O HOH A 558 2.12 REMARK 500 OE1 GLU A 69 O HOH A 538 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 408 O HOH A 566 5564 1.81 REMARK 500 O HOH A 560 O HOH A 564 6554 1.92 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 TYR A 83 CB - CG - CD1 ANGL. DEV. = -3.7 DEGREES REMARK 500 ARG A 107 CG - CD - NE ANGL. DEV. = -13.3 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASN A 155 -2.61 -56.53 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 484 DISTANCE = 5.42 ANGSTROMS REMARK 525 HOH A 485 DISTANCE = 8.58 ANGSTROMS REMARK 525 HOH A 551 DISTANCE = 8.28 ANGSTROMS 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 MG A 301 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A 527 O REMARK 620 2 HOH A 536 O 106.4 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 301 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1BHL RELATED DB: PDB REMARK 900 RELATED ID: 4LH5 RELATED DB: PDB DBREF 4LH4 A 50 212 UNP Q9WJM2 Q9WJM2_9HIV1 50 212 SEQADV 4LH4 MET A 31 UNP Q9WJM2 EXPRESSION TAG SEQADV 4LH4 GLY A 32 UNP Q9WJM2 EXPRESSION TAG SEQADV 4LH4 SER A 33 UNP Q9WJM2 EXPRESSION TAG SEQADV 4LH4 SER A 34 UNP Q9WJM2 EXPRESSION TAG SEQADV 4LH4 HIS A 35 UNP Q9WJM2 EXPRESSION TAG SEQADV 4LH4 HIS A 36 UNP Q9WJM2 EXPRESSION TAG SEQADV 4LH4 HIS A 37 UNP Q9WJM2 EXPRESSION TAG SEQADV 4LH4 HIS A 38 UNP Q9WJM2 EXPRESSION TAG SEQADV 4LH4 HIS A 39 UNP Q9WJM2 EXPRESSION TAG SEQADV 4LH4 HIS A 40 UNP Q9WJM2 EXPRESSION TAG SEQADV 4LH4 SER A 41 UNP Q9WJM2 EXPRESSION TAG SEQADV 4LH4 SER A 42 UNP Q9WJM2 EXPRESSION TAG SEQADV 4LH4 GLY A 43 UNP Q9WJM2 EXPRESSION TAG SEQADV 4LH4 LEU A 44 UNP Q9WJM2 EXPRESSION TAG SEQADV 4LH4 VAL A 45 UNP Q9WJM2 EXPRESSION TAG SEQADV 4LH4 PRO A 46 UNP Q9WJM2 EXPRESSION TAG SEQADV 4LH4 ARG A 47 UNP Q9WJM2 EXPRESSION TAG SEQADV 4LH4 GLY A 48 UNP Q9WJM2 EXPRESSION TAG SEQADV 4LH4 SER A 49 UNP Q9WJM2 EXPRESSION TAG SEQADV 4LH4 VAL A 113 UNP Q9WJM2 ILE 113 NATURAL VARIANT SEQADV 4LH4 LYS A 185 UNP Q9WJM2 PHE 185 ENGINEERED MUTATION SEQRES 1 A 182 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY SEQRES 2 A 182 LEU VAL PRO ARG GLY SER MET HIS GLY GLN VAL ASP CYS SEQRES 3 A 182 SER PRO GLY ILE TRP GLN LEU ASP CAS THR HIS LEU GLU SEQRES 4 A 182 GLY LYS VAL ILE LEU VAL ALA VAL HIS VAL ALA SER GLY SEQRES 5 A 182 TYR ILE GLU ALA GLU VAL ILE PRO ALA GLU THR GLY GLN SEQRES 6 A 182 GLU THR ALA TYR PHE LEU LEU LYS LEU ALA GLY ARG TRP SEQRES 7 A 182 PRO VAL LYS THR VAL HIS THR ASP ASN GLY SER ASN PHE SEQRES 8 A 182 THR SER THR THR VAL LYS ALA ALA CAS TRP TRP ALA GLY SEQRES 9 A 182 ILE LYS GLN GLU PHE GLY ILE PRO TYR ASN PRO GLN SER SEQRES 10 A 182 GLN GLY VAL VAL GLU SER MET ASN LYS GLU LEU LYS LYS SEQRES 11 A 182 ILE ILE GLY GLN VAL ARG ASP GLN ALA GLU HIS LEU LYS SEQRES 12 A 182 THR ALA VAL GLN MET ALA VAL PHE ILE HIS ASN LYS LYS SEQRES 13 A 182 ARG LYS GLY GLY ILE GLY GLY TYR SER ALA GLY GLU ARG SEQRES 14 A 182 ILE VAL ASP ILE ILE ALA THR ASP ILE GLN THR LYS GLU MODRES 4LH4 CAS A 65 CYS S-(DIMETHYLARSENIC)CYSTEINE MODRES 4LH4 CAS A 130 CYS S-(DIMETHYLARSENIC)CYSTEINE HET CAS A 65 9 HET CAS A 130 9 HET MG A 301 1 HETNAM CAS S-(DIMETHYLARSENIC)CYSTEINE HETNAM MG MAGNESIUM ION FORMUL 1 CAS 2(C5 H12 AS N O2 S) FORMUL 2 MG MG 2+ FORMUL 3 HOH *169(H2 O) HELIX 1 1 THR A 93 TRP A 108 1 16 HELIX 2 2 ASN A 117 THR A 122 5 6 HELIX 3 3 SER A 123 GLY A 134 1 12 HELIX 4 4 ASN A 155 ASP A 167 1 13 HELIX 5 5 HIS A 171 LYS A 186 1 16 HELIX 6 6 SER A 195 ILE A 208 1 14 SHEET 1 A 4 ILE A 84 ILE A 89 0 SHEET 2 A 4 LYS A 71 HIS A 78 -1 N VAL A 72 O ILE A 89 SHEET 3 A 4 ILE A 60 LEU A 68 -1 N THR A 66 O ILE A 73 SHEET 4 A 4 THR A 112 HIS A 114 1 O HIS A 114 N LEU A 63 LINK C ASP A 64 N CAS A 65 1555 1555 1.31 LINK C CAS A 65 N THR A 66 1555 1555 1.33 LINK C ALA A 129 N CAS A 130 1555 1555 1.35 LINK C CAS A 130 N TRP A 131 1555 1555 1.34 LINK MG MG A 301 O HOH A 527 1555 1555 2.59 LINK MG MG A 301 O HOH A 536 1555 1555 2.76 SITE *** AC1 4 ASP A 64 CAS A 65 HOH A 527 HOH A 536 CRYST1 72.527 72.527 64.919 90.00 90.00 120.00 P 31 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 0.013788 0.007960 0.000000 0.00000 SCALE2 0.000000 0.015921 0.000000 0.00000 SCALE3 0.000000 0.000000 0.015404 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 NoAdj-H: A 65 CAS H2 : A 65 CAS N : A 64 ASP C :(H bumps) USER MOD NoAdj-H: A 65 CAS H : A 65 CAS N : A 64 ASP C :(H bumps) USER MOD NoAdj-H: A 130 CAS H2 : A 130 CAS N : A 129 ALA C :(H bumps) USER MOD Set 1.1: A 154 MET CE :methyl -177:sc=-0.00793 (180deg=0) USER MOD Set 1.2: A 183 HIS : no HD1:sc= -0.478 K(o=-6.9,f=-3.4!) USER MOD Set 1.3: A 184 ASN : amide:sc= -6.46! K(o=-6.9!,f=0.74) USER MOD Set 2.1: A 123 SER OG : rot 132:sc= 1.03 USER MOD Set 2.2: A 125 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 117 ASN : amide:sc= 0.876 K(o=2.2,f=-0.91!) USER MOD Set 3.2: A 119 SER OG : rot -67:sc= 1.28 USER MOD Set 4.1: A 78 HIS : no HD1:sc= -6.58! K(o=-9!,f=4) USER MOD Set 4.2: A 81 SER OG : rot -14:sc= -2.43! USER MOD Single : A 57 SER OG : rot 180:sc= -0.0593 USER MOD Single : A 62 GLN : amide:sc= 0.426 K(o=0.43,f=-1.4!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.022) USER MOD Single : A 71 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.116) USER MOD Single : A 83 TYR OH : rot -1:sc= 1 USER MOD Single : A 93 THR OG1 : rot 40:sc= 0.0483 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 140:sc= 2.27 USER MOD Single : A 99 TYR OH : rot -164:sc= 1.7 USER MOD Single : A 103 LYS NZ :NH3+ 148:sc= 0.166 (180deg=0.0245) USER MOD Single : A 111 LYS NZ :NH3+ 170:sc= -0.149 (180deg=-0.387) USER MOD Single : A 112 THR OG1 : rot 158:sc= -0.434 USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 115 THR OG1 : rot 76:sc= 1.65 USER MOD Single : A 120 ASN : amide:sc= 0.624 K(o=0.62,f=-0.39) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 GLN : amide:sc= -0.925 X(o=-0.92,f=-0.59) USER MOD Single : A 159 LYS NZ :NH3+ 162:sc= -0.558 (180deg=-1.11) USER MOD Single : A 160 LYS NZ :NH3+ -144:sc= -0.271 (180deg=-1.75!) USER MOD Single : A 164 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 168 GLN : amide:sc= -0.0534 K(o=-0.053,f=-1.2) USER MOD Single : A 171 HIS : no HD1:sc= -3.92! C(o=-3.9!,f=-2.9!) USER MOD Single : A 173 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.341) USER MOD Single : A 174 THR OG1 : rot 153:sc= 0.504 USER MOD Single : A 177 GLN : amide:sc= -2.87! K(o=-2.9!,f=-0.34) USER MOD Single : A 178 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 194 TYR OH : rot 180:sc= 0 USER MOD Single : A 195 SER OG : rot 180:sc= 0.13 USER MOD Single : A 206 THR OG1 : rot 85:sc= 0.611 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 57 -21.895 11.009 -13.129 1.00 44.90 N ATOM 2 CA SER A 57 -21.754 10.933 -14.658 1.00 48.31 C ATOM 3 C SER A 57 -21.137 12.275 -15.138 1.00 44.17 C ATOM 4 O SER A 57 -21.381 13.316 -14.525 1.00 45.31 O ATOM 5 CB SER A 57 -23.087 10.700 -15.384 1.00 51.72 C ATOM 6 OG SER A 57 -23.151 11.333 -16.696 1.00 59.24 O ATOM 0 HA SER A 57 -21.192 10.172 -14.871 1.00 48.31 H new ATOM 0 HB2 SER A 57 -23.230 9.746 -15.485 1.00 51.72 H new ATOM 0 HB3 SER A 57 -23.811 11.038 -14.834 1.00 51.72 H new ATOM 0 HG SER A 57 -23.897 11.174 -17.048 1.00 59.24 H new ATOM 7 N PRO A 58 -20.357 12.233 -16.228 1.00 44.35 N ATOM 8 CA PRO A 58 -19.615 13.420 -16.695 1.00 44.62 C ATOM 9 C PRO A 58 -20.446 14.466 -17.465 1.00 41.03 C ATOM 10 O PRO A 58 -19.924 15.496 -17.795 1.00 37.03 O ATOM 11 CB PRO A 58 -18.572 12.810 -17.631 1.00 46.07 C ATOM 12 CG PRO A 58 -19.211 11.562 -18.164 1.00 50.45 C ATOM 13 CD PRO A 58 -20.017 11.023 -17.011 1.00 46.78 C ATOM 0 HA PRO A 58 -19.273 13.920 -15.938 1.00 44.62 H new ATOM 0 HB2 PRO A 58 -18.344 13.422 -18.348 1.00 46.07 H new ATOM 0 HB3 PRO A 58 -17.750 12.609 -17.157 1.00 46.07 H new ATOM 0 HG2 PRO A 58 -19.775 11.754 -18.929 1.00 50.45 H new ATOM 0 HG3 PRO A 58 -18.544 10.922 -18.457 1.00 50.45 H new ATOM 0 HD2 PRO A 58 -20.813 10.561 -17.317 1.00 46.78 H new ATOM 0 HD3 PRO A 58 -19.506 10.389 -16.484 1.00 46.78 H new ATOM 14 N GLY A 59 -21.691 14.165 -17.791 1.00 35.45 N ATOM 15 CA GLY A 59 -22.577 15.042 -18.531 1.00 36.32 C ATOM 16 C GLY A 59 -23.509 15.820 -17.652 1.00 30.71 C ATOM 17 O GLY A 59 -24.367 16.541 -18.140 1.00 28.76 O ATOM 0 H GLY A 59 -22.057 13.416 -17.579 1.00 35.45 H new ATOM 0 HA2 GLY A 59 -22.045 15.661 -19.056 1.00 36.32 H new ATOM 0 HA3 GLY A 59 -23.097 14.514 -19.156 1.00 36.32 H new ATOM 18 N ILE A 60 -23.329 15.690 -16.354 1.00 31.44 N ATOM 19 CA ILE A 60 -24.206 16.336 -15.376 1.00 29.96 C ATOM 20 C ILE A 60 -23.688 17.637 -14.826 1.00 25.45 C ATOM 21 O ILE A 60 -22.545 17.734 -14.285 1.00 25.87 O ATOM 22 CB ILE A 60 -24.459 15.407 -14.137 1.00 36.03 C ATOM 23 CG1 ILE A 60 -25.198 14.127 -14.563 1.00 44.29 C ATOM 24 CG2 ILE A 60 -25.395 16.085 -13.168 1.00 40.45 C ATOM 25 CD1 ILE A 60 -25.292 13.080 -13.429 1.00 48.09 C ATOM 0 H ILE A 60 -22.695 15.225 -16.005 1.00 31.44 H new ATOM 0 HA ILE A 60 -25.016 16.511 -15.880 1.00 29.96 H new ATOM 0 HB ILE A 60 -23.593 15.214 -13.746 1.00 36.03 H new ATOM 0 HG12 ILE A 60 -26.093 14.359 -14.858 1.00 44.29 H new ATOM 0 HG13 ILE A 60 -24.742 13.733 -15.323 1.00 44.29 H new ATOM 0 HG21 ILE A 60 -25.547 15.505 -12.405 1.00 40.45 H new ATOM 0 HG22 ILE A 60 -25.001 16.919 -12.867 1.00 40.45 H new ATOM 0 HG23 ILE A 60 -26.240 16.268 -13.608 1.00 40.45 H new ATOM 0 HD11 ILE A 60 -25.765 12.296 -13.750 1.00 48.09 H new ATOM 0 HD12 ILE A 60 -24.399 12.826 -13.148 1.00 48.09 H new ATOM 0 HD13 ILE A 60 -25.771 13.460 -12.676 1.00 48.09 H new ATOM 26 N TRP A 61 -24.514 18.656 -14.907 1.00 24.89 N ATOM 27 CA TRP A 61 -24.189 19.987 -14.431 1.00 23.68 C ATOM 28 C TRP A 61 -25.297 20.461 -13.511 1.00 29.09 C ATOM 29 O TRP A 61 -26.478 20.100 -13.724 1.00 31.85 O ATOM 30 CB TRP A 61 -24.059 20.992 -15.554 1.00 23.44 C ATOM 31 CG TRP A 61 -22.914 20.778 -16.497 1.00 24.58 C ATOM 32 CD1 TRP A 61 -22.770 19.757 -17.410 1.00 21.19 C ATOM 33 CD2 TRP A 61 -21.676 21.556 -16.568 1.00 21.16 C ATOM 34 NE1 TRP A 61 -21.513 19.866 -18.032 1.00 24.74 N ATOM 35 CE2 TRP A 61 -20.850 20.949 -17.550 1.00 22.62 C ATOM 36 CE3 TRP A 61 -21.230 22.682 -15.916 1.00 23.14 C ATOM 37 CZ2 TRP A 61 -19.624 21.454 -17.869 1.00 23.77 C ATOM 38 CZ3 TRP A 61 -19.970 23.152 -16.195 1.00 25.26 C ATOM 39 CH2 TRP A 61 -19.194 22.551 -17.176 1.00 22.43 C ATOM 0 H TRP A 61 -25.301 18.596 -15.249 1.00 24.89 H new ATOM 0 HA TRP A 61 -23.335 19.929 -13.975 1.00 23.68 H new ATOM 0 HB2 TRP A 61 -24.883 20.986 -16.067 1.00 23.44 H new ATOM 0 HB3 TRP A 61 -23.973 21.876 -15.165 1.00 23.44 H new ATOM 0 HD1 TRP A 61 -23.403 19.100 -17.587 1.00 21.19 H new ATOM 0 HE1 TRP A 61 -21.209 19.327 -18.629 1.00 24.74 H new ATOM 0 HE3 TRP A 61 -21.772 23.117 -15.298 1.00 23.14 H new ATOM 0 HZ2 TRP A 61 -19.100 21.067 -18.533 1.00 23.77 H new ATOM 0 HZ3 TRP A 61 -19.634 23.879 -15.722 1.00 25.26 H new ATOM 0 HH2 TRP A 61 -18.356 22.905 -17.368 1.00 22.43 H new ATOM 40 N GLN A 62 -24.914 21.303 -12.582 1.00 26.16 N ATOM 41 CA GLN A 62 -25.800 22.033 -11.736 1.00 29.83 C ATOM 42 C GLN A 62 -25.781 23.507 -12.051 1.00 32.07 C ATOM 43 O GLN A 62 -24.708 24.147 -12.004 1.00 29.65 O ATOM 44 CB GLN A 62 -25.354 21.821 -10.282 1.00 34.11 C ATOM 45 CG GLN A 62 -26.148 22.642 -9.276 1.00 39.83 C ATOM 46 CD GLN A 62 -27.238 21.868 -8.543 1.00 39.86 C ATOM 47 OE1 GLN A 62 -27.342 20.632 -8.609 1.00 39.95 O ATOM 48 NE2 GLN A 62 -28.074 22.625 -7.862 1.00 38.27 N ATOM 0 H GLN A 62 -24.085 21.469 -12.424 1.00 26.16 H new ATOM 0 HA GLN A 62 -26.704 21.712 -11.878 1.00 29.83 H new ATOM 0 HB2 GLN A 62 -25.439 20.881 -10.059 1.00 34.11 H new ATOM 0 HB3 GLN A 62 -24.414 22.048 -10.203 1.00 34.11 H new ATOM 0 HG2 GLN A 62 -25.534 23.011 -8.622 1.00 39.83 H new ATOM 0 HG3 GLN A 62 -26.555 23.392 -9.738 1.00 39.83 H new ATOM 0 HE21 GLN A 62 -27.964 23.478 -7.843 1.00 38.27 H new ATOM 0 HE22 GLN A 62 -28.729 22.266 -7.436 1.00 38.27 H new ATOM 49 N LEU A 63 -26.955 24.124 -12.209 1.00 26.86 N ATOM 50 CA LEU A 63 -26.971 25.560 -12.440 1.00 26.93 C ATOM 51 C LEU A 63 -27.880 26.298 -11.453 1.00 30.99 C ATOM 52 O LEU A 63 -29.028 25.910 -11.278 1.00 31.78 O ATOM 53 CB LEU A 63 -27.573 25.763 -13.840 1.00 27.16 C ATOM 54 CG LEU A 63 -27.552 27.077 -14.607 1.00 43.92 C ATOM 55 CD1 LEU A 63 -26.096 27.544 -14.695 1.00 48.29 C ATOM 56 CD2 LEU A 63 -28.169 26.879 -16.013 1.00 42.42 C ATOM 0 H LEU A 63 -27.725 23.741 -12.186 1.00 26.86 H new ATOM 0 HA LEU A 63 -26.070 25.905 -12.341 1.00 26.93 H new ATOM 0 HB2 LEU A 63 -27.143 25.110 -14.414 1.00 27.16 H new ATOM 0 HB3 LEU A 63 -28.506 25.508 -13.770 1.00 27.16 H new ATOM 0 HG LEU A 63 -28.081 27.752 -14.153 1.00 43.92 H new ATOM 0 HD11 LEU A 63 -26.054 28.383 -15.181 1.00 48.29 H new ATOM 0 HD12 LEU A 63 -25.742 27.671 -13.801 1.00 48.29 H new ATOM 0 HD13 LEU A 63 -25.569 26.875 -15.159 1.00 48.29 H new ATOM 0 HD21 LEU A 63 -28.152 27.720 -16.495 1.00 42.42 H new ATOM 0 HD22 LEU A 63 -27.656 26.216 -16.501 1.00 42.42 H new ATOM 0 HD23 LEU A 63 -29.086 26.576 -15.924 1.00 42.42 H new ATOM 57 N ASP A 64 -27.359 27.343 -10.841 1.00 31.09 N ATOM 58 CA ASP A 64 -28.097 28.176 -9.875 1.00 35.20 C ATOM 59 C ASP A 64 -27.728 29.609 -9.958 1.00 35.53 C ATOM 60 O ASP A 64 -26.687 29.979 -10.502 1.00 34.68 O ATOM 61 CB ASP A 64 -27.772 27.726 -8.452 1.00 34.66 C ATOM 62 CG ASP A 64 -28.185 26.280 -8.195 1.00 43.59 C ATOM 63 OD1 ASP A 64 -29.428 26.037 -8.164 1.00 42.60 O ATOM 64 OD2 ASP A 64 -27.303 25.413 -8.043 1.00 46.57 O ATOM 0 H ASP A 64 -26.550 27.604 -10.970 1.00 31.09 H new ATOM 0 HA ASP A 64 -29.037 28.071 -10.090 1.00 35.20 H new ATOM 0 HB2 ASP A 64 -26.820 27.821 -8.294 1.00 34.66 H new ATOM 0 HB3 ASP A 64 -28.224 28.307 -7.820 1.00 34.66 H new HETATM 65 N CAS A 65 -28.580 30.435 -9.394 1.00 30.75 N HETATM 66 CA CAS A 65 -28.322 31.852 -9.367 1.00 31.88 C HETATM 67 CB CAS A 65 -29.449 32.693 -9.884 1.00 35.10 C HETATM 68 C CAS A 65 -28.039 32.258 -7.956 1.00 36.57 C HETATM 69 O CAS A 65 -28.658 31.727 -6.978 1.00 37.17 O HETATM 70 SG CAS A 65 -29.478 32.669 -11.655 1.00 35.90 S HETATM 71 AS CAS A 65 -31.039 31.070 -11.790 1.00 43.48 AS HETATM 72 CE1 CAS A 65 -32.226 31.915 -13.113 1.00 42.25 C HETATM 73 CE2 CAS A 65 -30.516 29.574 -12.984 1.00 36.45 C HETATM 0 HB3 CAS A 65 -30.292 32.363 -9.537 1.00 35.10 H new HETATM 0 HB2 CAS A 65 -29.350 33.605 -9.569 1.00 35.10 H new HETATM 0 HA CAS A 65 -27.567 32.005 -9.957 1.00 31.88 H new ATOM 74 N THR A 66 -27.087 33.170 -7.807 1.00 33.97 N ATOM 75 CA THR A 66 -26.903 33.882 -6.503 1.00 44.14 C ATOM 76 C THR A 66 -26.974 35.382 -6.670 1.00 41.64 C ATOM 77 O THR A 66 -26.743 35.916 -7.755 1.00 40.72 O ATOM 78 CB THR A 66 -25.559 33.650 -5.759 1.00 50.38 C ATOM 79 OG1 THR A 66 -24.752 32.611 -6.311 1.00 56.57 O ATOM 80 CG2 THR A 66 -25.888 33.316 -4.263 1.00 56.65 C ATOM 0 H THR A 66 -26.536 33.402 -8.425 1.00 33.97 H new ATOM 0 HA THR A 66 -27.625 33.500 -5.981 1.00 44.14 H new ATOM 0 HB THR A 66 -25.037 34.462 -5.850 1.00 50.38 H new ATOM 0 HG1 THR A 66 -24.044 32.539 -5.865 1.00 56.57 H new ATOM 0 HG21 THR A 66 -25.063 33.166 -3.776 1.00 56.65 H new ATOM 0 HG22 THR A 66 -26.369 34.058 -3.864 1.00 56.65 H new ATOM 0 HG23 THR A 66 -26.436 32.517 -4.223 1.00 56.65 H new ATOM 81 N HIS A 67 -27.199 36.098 -5.559 1.00 41.34 N ATOM 82 CA HIS A 67 -27.406 37.545 -5.618 1.00 40.54 C ATOM 83 C HIS A 67 -26.262 38.175 -4.878 1.00 37.90 C ATOM 84 O HIS A 67 -25.882 37.678 -3.848 1.00 43.87 O ATOM 85 CB HIS A 67 -28.745 37.961 -5.030 1.00 46.25 C ATOM 86 CG HIS A 67 -29.920 37.504 -5.849 1.00 49.79 C ATOM 87 ND1 HIS A 67 -30.421 36.214 -5.783 1.00 52.40 N ATOM 88 CD2 HIS A 67 -30.680 38.156 -6.763 1.00 54.31 C ATOM 89 CE1 HIS A 67 -31.417 36.080 -6.643 1.00 55.73 C ATOM 90 NE2 HIS A 67 -31.596 37.242 -7.252 1.00 60.88 N ATOM 0 H HIS A 67 -27.235 35.763 -4.768 1.00 41.34 H new ATOM 0 HA HIS A 67 -27.429 37.842 -6.541 1.00 40.54 H new ATOM 0 HB2 HIS A 67 -28.824 37.600 -4.133 1.00 46.25 H new ATOM 0 HB3 HIS A 67 -28.770 38.927 -4.950 1.00 46.25 H new ATOM 0 HD2 HIS A 67 -30.601 39.048 -7.014 1.00 54.31 H new ATOM 0 HE1 HIS A 67 -31.907 35.304 -6.794 1.00 55.73 H new ATOM 0 HE2 HIS A 67 -32.187 37.403 -7.855 1.00 60.88 H new ATOM 91 N LEU A 68 -25.712 39.229 -5.451 1.00 39.62 N ATOM 92 CA LEU A 68 -24.638 39.996 -4.809 1.00 42.92 C ATOM 93 C LEU A 68 -24.656 41.417 -5.384 1.00 37.50 C ATOM 94 O LEU A 68 -24.868 41.606 -6.573 1.00 39.75 O ATOM 95 CB LEU A 68 -23.285 39.316 -5.064 1.00 48.40 C ATOM 96 CG LEU A 68 -22.064 39.613 -4.229 1.00 55.41 C ATOM 97 CD1 LEU A 68 -22.367 39.458 -2.729 1.00 54.54 C ATOM 98 CD2 LEU A 68 -20.924 38.680 -4.670 1.00 51.81 C ATOM 0 H LEU A 68 -25.944 39.527 -6.223 1.00 39.62 H new ATOM 0 HA LEU A 68 -24.773 40.034 -3.849 1.00 42.92 H new ATOM 0 HB2 LEU A 68 -23.438 38.360 -5.003 1.00 48.40 H new ATOM 0 HB3 LEU A 68 -23.046 39.507 -5.984 1.00 48.40 H new ATOM 0 HG LEU A 68 -21.794 40.534 -4.367 1.00 55.41 H new ATOM 0 HD11 LEU A 68 -21.568 39.654 -2.215 1.00 54.54 H new ATOM 0 HD12 LEU A 68 -23.073 40.074 -2.476 1.00 54.54 H new ATOM 0 HD13 LEU A 68 -22.652 38.549 -2.549 1.00 54.54 H new ATOM 0 HD21 LEU A 68 -20.133 38.862 -4.139 1.00 51.81 H new ATOM 0 HD22 LEU A 68 -21.193 37.757 -4.542 1.00 51.81 H new ATOM 0 HD23 LEU A 68 -20.726 38.831 -5.607 1.00 51.81 H new ATOM 99 N GLU A 69 -24.531 42.440 -4.523 1.00 39.78 N ATOM 100 CA GLU A 69 -24.567 43.873 -4.959 1.00 41.12 C ATOM 101 C GLU A 69 -25.693 44.335 -5.883 1.00 39.76 C ATOM 102 O GLU A 69 -25.536 45.258 -6.719 1.00 47.42 O ATOM 103 CB GLU A 69 -23.233 44.247 -5.565 1.00 43.64 C ATOM 104 CG GLU A 69 -22.050 43.914 -4.679 1.00 43.31 C ATOM 105 CD GLU A 69 -20.710 44.334 -5.317 1.00 43.38 C ATOM 106 OE1 GLU A 69 -19.704 43.943 -4.722 1.00 50.01 O ATOM 107 OE2 GLU A 69 -20.666 45.043 -6.381 1.00 44.61 O ATOM 0 H GLU A 69 -24.424 42.336 -3.676 1.00 39.78 H new ATOM 0 HA GLU A 69 -24.763 44.343 -4.133 1.00 41.12 H new ATOM 0 HB2 GLU A 69 -23.132 43.788 -6.413 1.00 43.64 H new ATOM 0 HB3 GLU A 69 -23.228 45.198 -5.755 1.00 43.64 H new ATOM 0 HG2 GLU A 69 -22.153 44.359 -3.823 1.00 43.31 H new ATOM 0 HG3 GLU A 69 -22.038 42.960 -4.503 1.00 43.31 H new ATOM 108 N GLY A 70 -26.851 43.697 -5.745 1.00 45.07 N ATOM 109 CA GLY A 70 -28.022 44.008 -6.600 1.00 41.84 C ATOM 110 C GLY A 70 -27.946 43.411 -7.975 1.00 49.69 C ATOM 111 O GLY A 70 -28.672 43.829 -8.904 1.00 45.01 O ATOM 0 H GLY A 70 -26.991 43.078 -5.165 1.00 45.07 H new ATOM 0 HA2 GLY A 70 -28.826 43.687 -6.162 1.00 41.84 H new ATOM 0 HA3 GLY A 70 -28.107 44.971 -6.679 1.00 41.84 H new ATOM 112 N LYS A 71 -26.997 42.469 -8.130 1.00 42.16 N ATOM 113 CA LYS A 71 -26.836 41.760 -9.386 1.00 39.36 C ATOM 114 C LYS A 71 -26.980 40.271 -9.135 1.00 30.24 C ATOM 115 O LYS A 71 -26.998 39.756 -7.963 1.00 33.78 O ATOM 116 CB LYS A 71 -25.477 42.110 -10.025 1.00 39.10 C ATOM 117 CG LYS A 71 -25.281 43.610 -10.236 1.00 44.30 C ATOM 118 CD LYS A 71 -23.880 43.886 -10.801 1.00 52.14 C ATOM 119 CE LYS A 71 -23.758 45.292 -11.367 1.00 56.73 C ATOM 120 NZ LYS A 71 -23.985 46.262 -10.240 1.00 57.89 N ATOM 0 H LYS A 71 -26.444 42.235 -7.514 1.00 42.16 H new ATOM 0 HA LYS A 71 -27.524 42.031 -10.014 1.00 39.36 H new ATOM 0 HB2 LYS A 71 -24.764 41.773 -9.460 1.00 39.10 H new ATOM 0 HB3 LYS A 71 -25.401 41.656 -10.879 1.00 39.10 H new ATOM 0 HG2 LYS A 71 -25.955 43.949 -10.845 1.00 44.30 H new ATOM 0 HG3 LYS A 71 -25.397 44.080 -9.395 1.00 44.30 H new ATOM 0 HD2 LYS A 71 -23.220 43.762 -10.101 1.00 52.14 H new ATOM 0 HD3 LYS A 71 -23.680 43.240 -11.497 1.00 52.14 H new ATOM 0 HE2 LYS A 71 -22.881 45.426 -11.759 1.00 56.73 H new ATOM 0 HE3 LYS A 71 -24.409 45.432 -12.073 1.00 56.73 H new ATOM 0 HZ1 LYS A 71 -23.764 47.082 -10.505 1.00 57.89 H new ATOM 0 HZ2 LYS A 71 -24.843 46.248 -10.004 1.00 57.89 H new ATOM 0 HZ3 LYS A 71 -23.483 46.030 -9.543 1.00 57.89 H new ATOM 121 N VAL A 72 -27.059 39.562 -10.255 1.00 36.13 N ATOM 122 CA VAL A 72 -27.251 38.138 -10.216 1.00 32.52 C ATOM 123 C VAL A 72 -26.087 37.446 -10.886 1.00 26.34 C ATOM 124 O VAL A 72 -25.603 37.869 -11.940 1.00 30.73 O ATOM 125 CB VAL A 72 -28.521 37.743 -10.975 1.00 33.59 C ATOM 126 CG1 VAL A 72 -28.625 36.239 -11.047 1.00 31.11 C ATOM 127 CG2 VAL A 72 -29.739 38.361 -10.271 1.00 37.80 C ATOM 0 H VAL A 72 -27.003 39.896 -11.045 1.00 36.13 H new ATOM 0 HA VAL A 72 -27.323 37.873 -9.286 1.00 32.52 H new ATOM 0 HB VAL A 72 -28.489 38.080 -11.884 1.00 33.59 H new ATOM 0 HG11 VAL A 72 -29.430 35.993 -11.528 1.00 31.11 H new ATOM 0 HG12 VAL A 72 -27.851 35.883 -11.510 1.00 31.11 H new ATOM 0 HG13 VAL A 72 -28.661 35.874 -10.149 1.00 31.11 H new ATOM 0 HG21 VAL A 72 -30.548 38.115 -10.747 1.00 37.80 H new ATOM 0 HG22 VAL A 72 -29.788 38.032 -9.360 1.00 37.80 H new ATOM 0 HG23 VAL A 72 -29.652 39.327 -10.261 1.00 37.80 H new ATOM 128 N ILE A 73 -25.626 36.411 -10.209 1.00 31.60 N ATOM 129 CA ILE A 73 -24.564 35.596 -10.720 1.00 30.93 C ATOM 130 C ILE A 73 -25.149 34.239 -11.077 1.00 28.47 C ATOM 131 O ILE A 73 -25.555 33.477 -10.206 1.00 30.15 O ATOM 132 CB ILE A 73 -23.423 35.472 -9.681 1.00 32.03 C ATOM 133 CG1 ILE A 73 -23.046 36.861 -9.152 1.00 34.79 C ATOM 134 CG2 ILE A 73 -22.232 34.694 -10.240 1.00 33.34 C ATOM 135 CD1 ILE A 73 -22.001 36.818 -8.086 1.00 38.54 C ATOM 0 H ILE A 73 -25.925 36.167 -9.440 1.00 31.60 H new ATOM 0 HA ILE A 73 -24.176 35.999 -11.512 1.00 30.93 H new ATOM 0 HB ILE A 73 -23.738 34.951 -8.926 1.00 32.03 H new ATOM 0 HG12 ILE A 73 -22.727 37.406 -9.888 1.00 34.79 H new ATOM 0 HG13 ILE A 73 -23.840 37.294 -8.802 1.00 34.79 H new ATOM 0 HG21 ILE A 73 -21.538 34.636 -9.565 1.00 33.34 H new ATOM 0 HG22 ILE A 73 -22.517 33.801 -10.489 1.00 33.34 H new ATOM 0 HG23 ILE A 73 -21.885 35.151 -11.022 1.00 33.34 H new ATOM 0 HD11 ILE A 73 -21.803 37.720 -7.790 1.00 38.54 H new ATOM 0 HD12 ILE A 73 -22.325 36.296 -7.335 1.00 38.54 H new ATOM 0 HD13 ILE A 73 -21.195 36.410 -8.439 1.00 38.54 H new ATOM 136 N LEU A 74 -25.004 33.870 -12.335 1.00 26.71 N ATOM 137 CA LEU A 74 -25.367 32.516 -12.775 1.00 27.07 C ATOM 138 C LEU A 74 -24.152 31.652 -12.673 1.00 27.90 C ATOM 139 O LEU A 74 -23.144 31.999 -13.263 1.00 28.77 O ATOM 140 CB LEU A 74 -25.808 32.601 -14.212 1.00 30.83 C ATOM 141 CG LEU A 74 -27.103 31.915 -14.454 1.00 42.48 C ATOM 142 CD1 LEU A 74 -27.532 32.100 -15.879 1.00 45.56 C ATOM 143 CD2 LEU A 74 -26.956 30.465 -14.139 1.00 49.37 C ATOM 0 H LEU A 74 -24.699 34.380 -12.957 1.00 26.71 H new ATOM 0 HA LEU A 74 -26.079 32.145 -12.231 1.00 27.07 H new ATOM 0 HB2 LEU A 74 -25.887 33.533 -14.468 1.00 30.83 H new ATOM 0 HB3 LEU A 74 -25.127 32.208 -14.780 1.00 30.83 H new ATOM 0 HG LEU A 74 -27.784 32.300 -13.881 1.00 42.48 H new ATOM 0 HD11 LEU A 74 -28.378 31.648 -16.024 1.00 45.56 H new ATOM 0 HD12 LEU A 74 -27.636 33.046 -16.066 1.00 45.56 H new ATOM 0 HD13 LEU A 74 -26.860 31.726 -16.471 1.00 45.56 H new ATOM 0 HD21 LEU A 74 -27.800 30.013 -14.296 1.00 49.37 H new ATOM 0 HD22 LEU A 74 -26.272 30.078 -14.707 1.00 49.37 H new ATOM 0 HD23 LEU A 74 -26.701 30.360 -13.209 1.00 49.37 H new ATOM 144 N VAL A 75 -24.238 30.566 -11.921 1.00 26.88 N ATOM 145 CA VAL A 75 -23.150 29.671 -11.693 1.00 27.93 C ATOM 146 C VAL A 75 -23.526 28.284 -12.173 1.00 28.54 C ATOM 147 O VAL A 75 -24.529 27.710 -11.701 1.00 28.94 O ATOM 148 CB VAL A 75 -22.771 29.577 -10.198 1.00 31.37 C ATOM 149 CG1 VAL A 75 -21.607 28.617 -10.010 1.00 32.66 C ATOM 150 CG2 VAL A 75 -22.333 30.929 -9.733 1.00 33.46 C ATOM 0 H VAL A 75 -24.962 30.332 -11.520 1.00 26.88 H new ATOM 0 HA VAL A 75 -22.388 30.019 -12.182 1.00 27.93 H new ATOM 0 HB VAL A 75 -23.538 29.262 -9.695 1.00 31.37 H new ATOM 0 HG11 VAL A 75 -21.378 28.566 -9.069 1.00 32.66 H new ATOM 0 HG12 VAL A 75 -21.859 27.736 -10.329 1.00 32.66 H new ATOM 0 HG13 VAL A 75 -20.840 28.935 -10.512 1.00 32.66 H new ATOM 0 HG21 VAL A 75 -22.091 30.886 -8.795 1.00 33.46 H new ATOM 0 HG22 VAL A 75 -21.565 31.217 -10.251 1.00 33.46 H new ATOM 0 HG23 VAL A 75 -23.058 31.563 -9.851 1.00 33.46 H new ATOM 151 N ALA A 76 -22.695 27.717 -13.039 1.00 24.55 N ATOM 152 CA ALA A 76 -22.846 26.345 -13.477 1.00 26.03 C ATOM 153 C ALA A 76 -21.649 25.534 -12.867 1.00 26.64 C ATOM 154 O ALA A 76 -20.472 25.939 -13.002 1.00 25.93 O ATOM 155 CB ALA A 76 -22.787 26.214 -14.975 1.00 27.34 C ATOM 0 H ALA A 76 -22.024 28.124 -13.389 1.00 24.55 H new ATOM 0 HA ALA A 76 -23.711 26.017 -13.186 1.00 26.03 H new ATOM 0 HB1 ALA A 76 -22.892 25.282 -15.223 1.00 27.34 H new ATOM 0 HB2 ALA A 76 -23.500 26.737 -15.374 1.00 27.34 H new ATOM 0 HB3 ALA A 76 -21.931 26.539 -15.295 1.00 27.34 H new ATOM 156 N VAL A 77 -21.949 24.371 -12.286 1.00 22.90 N ATOM 157 CA VAL A 77 -20.929 23.502 -11.740 1.00 23.22 C ATOM 158 C VAL A 77 -20.968 22.174 -12.391 1.00 22.80 C ATOM 159 O VAL A 77 -22.043 21.589 -12.520 1.00 24.85 O ATOM 160 CB VAL A 77 -21.092 23.285 -10.202 1.00 27.74 C ATOM 161 CG1 VAL A 77 -19.930 22.448 -9.618 1.00 26.39 C ATOM 162 CG2 VAL A 77 -21.174 24.551 -9.479 1.00 32.08 C ATOM 0 H VAL A 77 -22.751 24.071 -12.201 1.00 22.90 H new ATOM 0 HA VAL A 77 -20.082 23.944 -11.910 1.00 23.22 H new ATOM 0 HB VAL A 77 -21.925 22.801 -10.085 1.00 27.74 H new ATOM 0 HG11 VAL A 77 -20.062 22.332 -8.664 1.00 26.39 H new ATOM 0 HG12 VAL A 77 -19.908 21.579 -10.049 1.00 26.39 H new ATOM 0 HG13 VAL A 77 -19.090 22.907 -9.775 1.00 26.39 H new ATOM 0 HG21 VAL A 77 -21.274 24.376 -8.530 1.00 32.08 H new ATOM 0 HG22 VAL A 77 -20.364 25.063 -9.629 1.00 32.08 H new ATOM 0 HG23 VAL A 77 -21.938 25.056 -9.797 1.00 32.08 H new ATOM 163 N HIS A 78 -19.817 21.699 -12.891 1.00 21.96 N ATOM 164 CA HIS A 78 -19.725 20.367 -13.406 1.00 22.87 C ATOM 165 C HIS A 78 -19.579 19.433 -12.194 1.00 26.19 C ATOM 166 O HIS A 78 -18.521 19.420 -11.454 1.00 32.18 O ATOM 167 CB HIS A 78 -18.570 20.244 -14.384 1.00 25.23 C ATOM 168 CG HIS A 78 -18.293 18.862 -14.864 1.00 24.30 C ATOM 169 ND1 HIS A 78 -19.069 18.157 -15.763 1.00 31.25 N ATOM 170 CD2 HIS A 78 -17.255 18.057 -14.569 1.00 26.63 C ATOM 171 CE1 HIS A 78 -18.530 16.956 -15.960 1.00 25.93 C ATOM 172 NE2 HIS A 78 -17.427 16.895 -15.268 1.00 31.40 N ATOM 0 H HIS A 78 -19.086 22.150 -12.932 1.00 21.96 H new ATOM 0 HA HIS A 78 -20.517 20.125 -13.911 1.00 22.87 H new ATOM 0 HB2 HIS A 78 -18.753 20.807 -15.152 1.00 25.23 H new ATOM 0 HB3 HIS A 78 -17.769 20.592 -13.962 1.00 25.23 H new ATOM 0 HD2 HIS A 78 -16.550 18.255 -13.995 1.00 26.63 H new ATOM 0 HE1 HIS A 78 -18.878 16.281 -16.496 1.00 25.93 H new ATOM 0 HE2 HIS A 78 -16.889 16.225 -15.253 1.00 31.40 H new ATOM 173 N VAL A 79 -20.650 18.672 -11.951 1.00 29.44 N ATOM 174 CA VAL A 79 -20.735 18.003 -10.654 1.00 29.78 C ATOM 175 C VAL A 79 -19.533 17.038 -10.382 1.00 28.21 C ATOM 176 O VAL A 79 -18.958 17.094 -9.310 1.00 32.24 O ATOM 177 CB VAL A 79 -22.128 17.328 -10.535 1.00 35.53 C ATOM 178 CG1 VAL A 79 -22.213 16.441 -9.321 1.00 40.14 C ATOM 179 CG2 VAL A 79 -23.190 18.397 -10.490 1.00 40.79 C ATOM 0 H VAL A 79 -21.304 18.535 -12.492 1.00 29.44 H new ATOM 0 HA VAL A 79 -20.656 18.662 -9.947 1.00 29.78 H new ATOM 0 HB VAL A 79 -22.267 16.762 -11.310 1.00 35.53 H new ATOM 0 HG11 VAL A 79 -23.093 16.036 -9.277 1.00 40.14 H new ATOM 0 HG12 VAL A 79 -21.540 15.745 -9.381 1.00 40.14 H new ATOM 0 HG13 VAL A 79 -22.060 16.970 -8.522 1.00 40.14 H new ATOM 0 HG21 VAL A 79 -24.064 17.982 -10.416 1.00 40.79 H new ATOM 0 HG22 VAL A 79 -23.039 18.972 -9.723 1.00 40.79 H new ATOM 0 HG23 VAL A 79 -23.152 18.926 -11.302 1.00 40.79 H new ATOM 180 N ALA A 80 -19.141 16.251 -11.342 1.00 32.08 N ATOM 181 CA ALA A 80 -18.028 15.295 -11.147 1.00 31.37 C ATOM 182 C ALA A 80 -16.693 15.928 -10.874 1.00 39.84 C ATOM 183 O ALA A 80 -15.840 15.328 -10.204 1.00 38.61 O ATOM 184 CB ALA A 80 -17.934 14.408 -12.374 1.00 31.86 C ATOM 0 H ALA A 80 -19.492 16.236 -12.127 1.00 32.08 H new ATOM 0 HA ALA A 80 -18.237 14.787 -10.348 1.00 31.37 H new ATOM 0 HB1 ALA A 80 -17.208 13.775 -12.261 1.00 31.86 H new ATOM 0 HB2 ALA A 80 -18.768 13.926 -12.490 1.00 31.86 H new ATOM 0 HB3 ALA A 80 -17.766 14.955 -13.157 1.00 31.86 H new ATOM 185 N SER A 81 -16.445 17.143 -11.391 1.00 36.25 N ATOM 186 CA SER A 81 -15.137 17.814 -11.171 1.00 29.82 C ATOM 187 C SER A 81 -15.090 18.923 -10.215 1.00 29.20 C ATOM 188 O SER A 81 -14.013 19.260 -9.704 1.00 35.00 O ATOM 189 CB SER A 81 -14.576 18.320 -12.509 1.00 31.80 C ATOM 190 OG SER A 81 -15.389 19.382 -13.082 1.00 30.93 O ATOM 0 H SER A 81 -17.005 17.592 -11.864 1.00 36.25 H new ATOM 0 HA SER A 81 -14.603 17.112 -10.766 1.00 29.82 H new ATOM 0 HB2 SER A 81 -13.671 18.644 -12.376 1.00 31.80 H new ATOM 0 HB3 SER A 81 -14.524 17.581 -13.136 1.00 31.80 H new ATOM 0 HG SER A 81 -16.130 19.412 -12.687 1.00 30.93 H new ATOM 191 N GLY A 82 -16.207 19.600 -9.962 1.00 30.27 N ATOM 192 CA GLY A 82 -16.207 20.847 -9.247 1.00 27.01 C ATOM 193 C GLY A 82 -15.802 22.095 -10.128 1.00 27.07 C ATOM 194 O GLY A 82 -15.767 23.220 -9.613 1.00 29.84 O ATOM 0 H GLY A 82 -16.988 19.337 -10.207 1.00 30.27 H new ATOM 0 HA2 GLY A 82 -17.091 20.997 -8.878 1.00 27.01 H new ATOM 0 HA3 GLY A 82 -15.594 20.779 -8.498 1.00 27.01 H new ATOM 195 N TYR A 83 -15.659 21.875 -11.425 1.00 24.76 N ATOM 196 CA TYR A 83 -15.295 23.008 -12.383 1.00 25.59 C ATOM 197 C TYR A 83 -16.485 23.940 -12.466 1.00 24.43 C ATOM 198 O TYR A 83 -17.641 23.464 -12.561 1.00 25.62 O ATOM 199 CB TYR A 83 -14.912 22.452 -13.725 1.00 25.05 C ATOM 200 CG TYR A 83 -14.824 23.496 -14.836 1.00 23.08 C ATOM 201 CD1 TYR A 83 -15.985 23.759 -15.558 1.00 26.53 C ATOM 202 CD2 TYR A 83 -13.637 24.154 -15.206 1.00 27.34 C ATOM 203 CE1 TYR A 83 -15.960 24.587 -16.616 1.00 30.37 C ATOM 204 CE2 TYR A 83 -13.648 25.020 -16.258 1.00 30.30 C ATOM 205 CZ TYR A 83 -14.854 25.241 -16.953 1.00 28.56 C ATOM 206 OH TYR A 83 -15.041 26.135 -18.030 1.00 39.75 O ATOM 0 H TYR A 83 -15.758 21.107 -11.799 1.00 24.76 H new ATOM 0 HA TYR A 83 -14.526 23.504 -12.062 1.00 25.59 H new ATOM 0 HB2 TYR A 83 -14.054 22.006 -13.646 1.00 25.05 H new ATOM 0 HB3 TYR A 83 -15.560 21.777 -13.981 1.00 25.05 H new ATOM 0 HD1 TYR A 83 -16.785 23.358 -15.306 1.00 26.53 H new ATOM 0 HD2 TYR A 83 -12.850 23.999 -14.736 1.00 27.34 H new ATOM 0 HE1 TYR A 83 -16.732 24.704 -17.122 1.00 30.37 H new ATOM 0 HE2 TYR A 83 -12.870 25.460 -16.514 1.00 30.30 H new ATOM 0 HH TYR A 83 -15.839 26.098 -18.290 1.00 39.75 H new ATOM 207 N ILE A 84 -16.266 25.243 -12.450 1.00 25.94 N ATOM 208 CA ILE A 84 -17.303 26.214 -12.615 1.00 25.30 C ATOM 209 C ILE A 84 -17.196 27.182 -13.741 1.00 25.41 C ATOM 210 O ILE A 84 -16.127 27.540 -14.161 1.00 23.43 O ATOM 211 CB ILE A 84 -17.571 27.005 -11.346 1.00 28.66 C ATOM 212 CG1 ILE A 84 -16.512 27.965 -10.981 1.00 36.94 C ATOM 213 CG2 ILE A 84 -17.734 26.026 -10.166 1.00 33.06 C ATOM 214 CD1 ILE A 84 -16.723 28.612 -9.610 1.00 46.41 C ATOM 0 H ILE A 84 -15.486 25.587 -12.339 1.00 25.94 H new ATOM 0 HA ILE A 84 -18.041 25.629 -12.846 1.00 25.30 H new ATOM 0 HB ILE A 84 -18.374 27.519 -11.527 1.00 28.66 H new ATOM 0 HG12 ILE A 84 -15.656 27.509 -10.988 1.00 36.94 H new ATOM 0 HG13 ILE A 84 -16.469 28.660 -11.656 1.00 36.94 H new ATOM 0 HG21 ILE A 84 -17.905 26.525 -9.352 1.00 33.06 H new ATOM 0 HG22 ILE A 84 -18.478 25.429 -10.341 1.00 33.06 H new ATOM 0 HG23 ILE A 84 -16.921 25.507 -10.061 1.00 33.06 H new ATOM 0 HD11 ILE A 84 -15.998 29.230 -9.428 1.00 46.41 H new ATOM 0 HD12 ILE A 84 -17.565 29.093 -9.605 1.00 46.41 H new ATOM 0 HD13 ILE A 84 -16.740 27.924 -8.926 1.00 46.41 H new ATOM 215 N GLU A 85 -18.349 27.625 -14.268 1.00 21.95 N ATOM 216 CA GLU A 85 -18.420 28.762 -15.255 1.00 26.94 C ATOM 217 C GLU A 85 -19.448 29.650 -14.661 1.00 27.11 C ATOM 218 O GLU A 85 -20.407 29.180 -14.113 1.00 30.21 O ATOM 219 CB GLU A 85 -18.896 28.355 -16.649 1.00 31.38 C ATOM 220 CG GLU A 85 -18.077 27.317 -17.242 1.00 41.58 C ATOM 221 CD GLU A 85 -18.171 27.298 -18.743 1.00 37.85 C ATOM 222 OE1 GLU A 85 -18.964 28.059 -19.311 1.00 44.15 O ATOM 223 OE2 GLU A 85 -17.379 26.577 -19.314 1.00 39.27 O ATOM 0 H GLU A 85 -19.116 27.287 -14.074 1.00 21.95 H new ATOM 0 HA GLU A 85 -17.540 29.149 -15.387 1.00 26.94 H new ATOM 0 HB2 GLU A 85 -19.814 28.046 -16.595 1.00 31.38 H new ATOM 0 HB3 GLU A 85 -18.893 29.134 -17.227 1.00 31.38 H new ATOM 0 HG2 GLU A 85 -17.152 27.449 -16.980 1.00 41.58 H new ATOM 0 HG3 GLU A 85 -18.350 26.454 -16.893 1.00 41.58 H new ATOM 224 N ALA A 86 -19.252 30.962 -14.728 1.00 28.28 N ATOM 225 CA ALA A 86 -20.272 31.877 -14.247 1.00 30.31 C ATOM 226 C ALA A 86 -20.395 33.087 -15.121 1.00 31.55 C ATOM 227 O ALA A 86 -19.527 33.393 -15.967 1.00 31.57 O ATOM 228 CB ALA A 86 -19.962 32.272 -12.852 1.00 31.21 C ATOM 0 H ALA A 86 -18.545 31.336 -15.044 1.00 28.28 H new ATOM 0 HA ALA A 86 -21.127 31.419 -14.274 1.00 30.31 H new ATOM 0 HB1 ALA A 86 -20.643 32.883 -12.530 1.00 31.21 H new ATOM 0 HB2 ALA A 86 -19.944 31.483 -12.288 1.00 31.21 H new ATOM 0 HB3 ALA A 86 -19.096 32.709 -12.824 1.00 31.21 H new ATOM 229 N GLU A 87 -21.524 33.778 -14.986 1.00 30.75 N ATOM 230 CA GLU A 87 -21.724 35.046 -15.699 1.00 30.63 C ATOM 231 C GLU A 87 -22.540 35.939 -14.727 1.00 28.32 C ATOM 232 O GLU A 87 -23.266 35.442 -13.850 1.00 29.50 O ATOM 233 CB GLU A 87 -22.472 34.921 -17.025 1.00 33.54 C ATOM 234 CG GLU A 87 -21.838 34.089 -18.156 1.00 44.81 C ATOM 235 CD GLU A 87 -20.806 34.804 -19.066 1.00 46.74 C ATOM 236 OE1 GLU A 87 -20.498 36.045 -18.884 1.00 45.35 O ATOM 237 OE2 GLU A 87 -20.308 34.075 -19.970 1.00 49.51 O ATOM 0 H GLU A 87 -22.184 33.536 -14.491 1.00 30.75 H new ATOM 0 HA GLU A 87 -20.858 35.410 -15.939 1.00 30.63 H new ATOM 0 HB2 GLU A 87 -23.345 34.543 -16.836 1.00 33.54 H new ATOM 0 HB3 GLU A 87 -22.619 35.817 -17.366 1.00 33.54 H new ATOM 0 HG2 GLU A 87 -21.404 33.319 -17.756 1.00 44.81 H new ATOM 0 HG3 GLU A 87 -22.553 33.752 -18.719 1.00 44.81 H new ATOM 238 N VAL A 88 -22.389 37.239 -14.913 1.00 34.51 N ATOM 239 CA VAL A 88 -23.130 38.235 -14.137 1.00 34.63 C ATOM 240 C VAL A 88 -24.158 38.804 -15.066 1.00 37.35 C ATOM 241 O VAL A 88 -23.821 39.188 -16.179 1.00 32.97 O ATOM 242 CB VAL A 88 -22.191 39.312 -13.645 1.00 36.70 C ATOM 243 CG1 VAL A 88 -22.962 40.450 -12.986 1.00 39.69 C ATOM 244 CG2 VAL A 88 -21.161 38.645 -12.758 1.00 41.85 C ATOM 0 H VAL A 88 -21.853 37.576 -15.494 1.00 34.51 H new ATOM 0 HA VAL A 88 -23.549 37.844 -13.354 1.00 34.63 H new ATOM 0 HB VAL A 88 -21.719 39.741 -14.376 1.00 36.70 H new ATOM 0 HG11 VAL A 88 -22.340 41.128 -12.679 1.00 39.69 H new ATOM 0 HG12 VAL A 88 -23.574 40.841 -13.629 1.00 39.69 H new ATOM 0 HG13 VAL A 88 -23.464 40.106 -12.230 1.00 39.69 H new ATOM 0 HG21 VAL A 88 -20.540 39.312 -12.424 1.00 41.85 H new ATOM 0 HG22 VAL A 88 -21.606 38.216 -12.011 1.00 41.85 H new ATOM 0 HG23 VAL A 88 -20.675 37.979 -13.270 1.00 41.85 H new ATOM 245 N ILE A 89 -25.411 38.890 -14.575 1.00 34.52 N ATOM 246 CA ILE A 89 -26.512 39.530 -15.299 1.00 36.70 C ATOM 247 C ILE A 89 -27.285 40.503 -14.354 1.00 32.81 C ATOM 248 O ILE A 89 -27.048 40.462 -13.169 1.00 37.93 O ATOM 249 CB ILE A 89 -27.397 38.467 -15.860 1.00 39.99 C ATOM 250 CG1 ILE A 89 -27.766 37.446 -14.761 1.00 39.02 C ATOM 251 CG2 ILE A 89 -26.674 37.812 -17.027 1.00 43.54 C ATOM 252 CD1 ILE A 89 -28.966 36.601 -15.115 1.00 40.45 C ATOM 0 H ILE A 89 -25.639 38.575 -13.808 1.00 34.52 H new ATOM 0 HA ILE A 89 -26.170 40.064 -16.033 1.00 36.70 H new ATOM 0 HB ILE A 89 -28.229 38.848 -16.181 1.00 39.99 H new ATOM 0 HG12 ILE A 89 -27.006 36.866 -14.598 1.00 39.02 H new ATOM 0 HG13 ILE A 89 -27.944 37.920 -13.934 1.00 39.02 H new ATOM 0 HG21 ILE A 89 -27.234 37.117 -17.406 1.00 43.54 H new ATOM 0 HG22 ILE A 89 -26.484 38.479 -17.705 1.00 43.54 H new ATOM 0 HG23 ILE A 89 -25.842 37.422 -16.715 1.00 43.54 H new ATOM 0 HD11 ILE A 89 -29.150 35.981 -14.392 1.00 40.45 H new ATOM 0 HD12 ILE A 89 -29.736 37.174 -15.253 1.00 40.45 H new ATOM 0 HD13 ILE A 89 -28.784 36.104 -15.928 1.00 40.45 H new ATOM 253 N PRO A 90 -28.160 41.386 -14.890 1.00 44.69 N ATOM 254 CA PRO A 90 -28.800 42.337 -13.930 1.00 48.69 C ATOM 255 C PRO A 90 -29.846 41.684 -13.050 1.00 44.86 C ATOM 256 O PRO A 90 -29.960 42.007 -11.812 1.00 48.29 O ATOM 257 CB PRO A 90 -29.470 43.380 -14.853 1.00 51.46 C ATOM 258 CG PRO A 90 -28.636 43.308 -16.094 1.00 54.58 C ATOM 259 CD PRO A 90 -28.345 41.845 -16.271 1.00 48.81 C ATOM 0 HA PRO A 90 -28.148 42.705 -13.313 1.00 48.69 H new ATOM 0 HB2 PRO A 90 -30.398 43.161 -15.030 1.00 51.46 H new ATOM 0 HB3 PRO A 90 -29.458 44.268 -14.462 1.00 51.46 H new ATOM 0 HG2 PRO A 90 -29.111 43.668 -16.859 1.00 54.58 H new ATOM 0 HG3 PRO A 90 -27.818 43.821 -16.000 1.00 54.58 H new ATOM 0 HD2 PRO A 90 -29.076 41.382 -16.710 1.00 48.81 H new ATOM 0 HD3 PRO A 90 -27.552 41.698 -16.809 1.00 48.81 H new ATOM 260 N ALA A 91 -30.563 40.750 -13.686 1.00 44.58 N ATOM 261 CA ALA A 91 -31.567 39.949 -12.997 1.00 45.36 C ATOM 262 C ALA A 91 -31.881 38.628 -13.703 1.00 42.99 C ATOM 263 O ALA A 91 -31.574 38.407 -14.893 1.00 39.59 O ATOM 264 CB ALA A 91 -32.852 40.758 -12.788 1.00 43.80 C ATOM 0 H ALA A 91 -30.478 40.568 -14.522 1.00 44.58 H new ATOM 0 HA ALA A 91 -31.184 39.718 -12.136 1.00 45.36 H new ATOM 0 HB1 ALA A 91 -33.508 40.211 -12.329 1.00 43.80 H new ATOM 0 HB2 ALA A 91 -32.657 41.544 -12.254 1.00 43.80 H new ATOM 0 HB3 ALA A 91 -33.206 41.032 -13.649 1.00 43.80 H new ATOM 265 N GLU A 92 -32.495 37.748 -12.909 1.00 36.26 N ATOM 266 CA GLU A 92 -32.852 36.432 -13.332 1.00 38.32 C ATOM 267 C GLU A 92 -33.893 36.608 -14.390 1.00 45.73 C ATOM 268 O GLU A 92 -34.887 37.294 -14.171 1.00 49.26 O ATOM 269 CB GLU A 92 -33.463 35.638 -12.196 1.00 36.91 C ATOM 270 CG GLU A 92 -32.480 35.189 -11.168 1.00 38.42 C ATOM 271 CD GLU A 92 -33.014 34.255 -10.105 1.00 42.08 C ATOM 272 OE1 GLU A 92 -33.974 33.497 -10.352 1.00 57.08 O ATOM 273 OE2 GLU A 92 -32.392 34.238 -9.043 1.00 46.99 O ATOM 0 H GLU A 92 -32.713 37.920 -12.095 1.00 36.26 H new ATOM 0 HA GLU A 92 -32.067 35.956 -13.645 1.00 38.32 H new ATOM 0 HB2 GLU A 92 -34.143 36.179 -11.765 1.00 36.91 H new ATOM 0 HB3 GLU A 92 -33.911 34.860 -12.563 1.00 36.91 H new ATOM 0 HG2 GLU A 92 -31.744 34.748 -11.621 1.00 38.42 H new ATOM 0 HG3 GLU A 92 -32.115 35.974 -10.730 1.00 38.42 H new ATOM 274 N THR A 93 -33.665 36.033 -15.562 1.00 36.36 N ATOM 275 CA THR A 93 -34.723 35.906 -16.547 1.00 37.66 C ATOM 276 C THR A 93 -34.539 34.645 -17.362 1.00 36.96 C ATOM 277 O THR A 93 -33.437 34.169 -17.561 1.00 31.01 O ATOM 278 CB THR A 93 -34.728 37.103 -17.509 1.00 42.21 C ATOM 279 OG1 THR A 93 -35.989 37.158 -18.194 1.00 64.08 O ATOM 280 CG2 THR A 93 -33.649 37.025 -18.492 1.00 35.72 C ATOM 0 H THR A 93 -32.906 35.711 -15.805 1.00 36.36 H new ATOM 0 HA THR A 93 -35.564 35.873 -16.064 1.00 37.66 H new ATOM 0 HB THR A 93 -34.590 37.905 -16.981 1.00 42.21 H new ATOM 0 HG1 THR A 93 -36.608 36.972 -17.657 1.00 64.08 H new ATOM 0 HG21 THR A 93 -33.688 37.797 -19.078 1.00 35.72 H new ATOM 0 HG22 THR A 93 -32.794 37.010 -18.034 1.00 35.72 H new ATOM 0 HG23 THR A 93 -33.748 36.216 -19.018 1.00 35.72 H new ATOM 281 N GLY A 94 -35.622 34.140 -17.876 1.00 36.53 N ATOM 282 CA GLY A 94 -35.549 33.016 -18.804 1.00 32.20 C ATOM 283 C GLY A 94 -34.636 33.229 -19.982 1.00 30.15 C ATOM 284 O GLY A 94 -33.963 32.307 -20.330 1.00 30.23 O ATOM 0 H GLY A 94 -36.417 34.422 -17.711 1.00 36.53 H new ATOM 0 HA2 GLY A 94 -35.252 32.231 -18.318 1.00 32.20 H new ATOM 0 HA3 GLY A 94 -36.442 32.826 -19.133 1.00 32.20 H new ATOM 285 N GLN A 95 -34.643 34.391 -20.634 1.00 29.07 N ATOM 286 CA GLN A 95 -33.799 34.703 -21.797 1.00 34.01 C ATOM 287 C GLN A 95 -32.316 34.527 -21.431 1.00 30.69 C ATOM 288 O GLN A 95 -31.565 33.849 -22.107 1.00 29.17 O ATOM 289 CB GLN A 95 -34.018 36.165 -22.299 1.00 36.56 C ATOM 290 CG GLN A 95 -35.180 36.393 -23.286 1.00 56.26 C ATOM 291 CD GLN A 95 -35.182 37.804 -24.007 1.00 63.45 C ATOM 292 OE1 GLN A 95 -34.901 38.852 -23.402 1.00 78.78 O ATOM 293 NE2 GLN A 95 -35.507 37.805 -25.295 1.00 66.71 N ATOM 0 H GLN A 95 -35.155 35.043 -20.407 1.00 29.07 H new ATOM 0 HA GLN A 95 -34.050 34.091 -22.507 1.00 34.01 H new ATOM 0 HB2 GLN A 95 -34.163 36.732 -21.525 1.00 36.56 H new ATOM 0 HB3 GLN A 95 -33.198 36.466 -22.722 1.00 36.56 H new ATOM 0 HG2 GLN A 95 -35.152 35.699 -23.963 1.00 56.26 H new ATOM 0 HG3 GLN A 95 -36.017 36.288 -22.808 1.00 56.26 H new ATOM 0 HE21 GLN A 95 -35.697 37.066 -25.691 1.00 66.71 H new ATOM 0 HE22 GLN A 95 -35.527 38.545 -25.733 1.00 66.71 H new ATOM 294 N GLU A 96 -31.949 35.066 -20.284 1.00 28.10 N ATOM 295 CA GLU A 96 -30.551 34.922 -19.815 1.00 24.04 C ATOM 296 C GLU A 96 -30.172 33.448 -19.515 1.00 26.50 C ATOM 297 O GLU A 96 -29.060 32.979 -19.826 1.00 25.97 O ATOM 298 CB GLU A 96 -30.326 35.847 -18.597 1.00 28.83 C ATOM 299 CG GLU A 96 -30.411 37.366 -18.973 1.00 33.52 C ATOM 300 CD GLU A 96 -29.181 37.895 -19.799 1.00 38.42 C ATOM 301 OE1 GLU A 96 -28.297 37.118 -20.156 1.00 40.84 O ATOM 302 OE2 GLU A 96 -29.080 39.088 -20.134 1.00 56.33 O ATOM 0 H GLU A 96 -32.467 35.511 -19.762 1.00 28.10 H new ATOM 0 HA GLU A 96 -29.955 35.196 -20.530 1.00 24.04 H new ATOM 0 HB2 GLU A 96 -30.988 35.648 -17.917 1.00 28.83 H new ATOM 0 HB3 GLU A 96 -29.456 35.661 -18.210 1.00 28.83 H new ATOM 0 HG2 GLU A 96 -31.221 37.517 -19.485 1.00 33.52 H new ATOM 0 HG3 GLU A 96 -30.489 37.887 -18.158 1.00 33.52 H new ATOM 303 N THR A 97 -31.051 32.770 -18.798 1.00 24.34 N ATOM 304 CA THR A 97 -30.805 31.382 -18.451 1.00 24.58 C ATOM 305 C THR A 97 -30.659 30.542 -19.739 1.00 27.69 C ATOM 306 O THR A 97 -29.728 29.718 -19.831 1.00 27.74 O ATOM 307 CB THR A 97 -31.941 30.804 -17.561 1.00 25.98 C ATOM 308 OG1 THR A 97 -32.064 31.594 -16.352 1.00 27.70 O ATOM 309 CG2 THR A 97 -31.718 29.396 -17.231 1.00 24.87 C ATOM 0 H THR A 97 -31.792 33.092 -18.504 1.00 24.34 H new ATOM 0 HA THR A 97 -29.982 31.341 -17.940 1.00 24.58 H new ATOM 0 HB THR A 97 -32.768 30.851 -18.066 1.00 25.98 H new ATOM 0 HG1 THR A 97 -32.876 31.690 -16.161 1.00 27.70 H new ATOM 0 HG21 THR A 97 -32.446 29.074 -16.677 1.00 24.87 H new ATOM 0 HG22 THR A 97 -31.679 28.874 -18.048 1.00 24.87 H new ATOM 0 HG23 THR A 97 -30.881 29.305 -16.749 1.00 24.87 H new ATOM 310 N ALA A 98 -31.541 30.773 -20.741 1.00 27.92 N ATOM 311 CA ALA A 98 -31.526 30.042 -22.046 1.00 25.73 C ATOM 312 C ALA A 98 -30.208 30.302 -22.800 1.00 26.87 C ATOM 313 O ALA A 98 -29.586 29.387 -23.300 1.00 24.05 O ATOM 314 CB ALA A 98 -32.731 30.430 -22.897 1.00 24.82 C ATOM 0 H ALA A 98 -32.168 31.359 -20.685 1.00 27.92 H new ATOM 0 HA ALA A 98 -31.584 29.091 -21.864 1.00 25.73 H new ATOM 0 HB1 ALA A 98 -32.703 29.946 -23.737 1.00 24.82 H new ATOM 0 HB2 ALA A 98 -33.547 30.207 -22.423 1.00 24.82 H new ATOM 0 HB3 ALA A 98 -32.710 31.384 -23.073 1.00 24.82 H new ATOM 315 N TYR A 99 -29.763 31.551 -22.840 1.00 25.78 N ATOM 316 CA TYR A 99 -28.525 31.934 -23.496 1.00 25.97 C ATOM 317 C TYR A 99 -27.334 31.277 -22.834 1.00 24.07 C ATOM 318 O TYR A 99 -26.392 30.793 -23.506 1.00 26.23 O ATOM 319 CB TYR A 99 -28.492 33.460 -23.542 1.00 29.41 C ATOM 320 CG TYR A 99 -27.322 34.021 -24.332 1.00 28.97 C ATOM 321 CD1 TYR A 99 -27.207 33.779 -25.679 1.00 26.57 C ATOM 322 CD2 TYR A 99 -26.295 34.678 -23.693 1.00 30.55 C ATOM 323 CE1 TYR A 99 -26.131 34.227 -26.413 1.00 24.87 C ATOM 324 CE2 TYR A 99 -25.186 35.147 -24.441 1.00 30.95 C ATOM 325 CZ TYR A 99 -25.147 34.953 -25.813 1.00 30.29 C ATOM 326 OH TYR A 99 -24.079 35.358 -26.578 1.00 31.33 O ATOM 0 H TYR A 99 -30.181 32.211 -22.480 1.00 25.78 H new ATOM 0 HA TYR A 99 -28.479 31.613 -24.410 1.00 25.97 H new ATOM 0 HB2 TYR A 99 -29.320 33.782 -23.932 1.00 29.41 H new ATOM 0 HB3 TYR A 99 -28.454 33.802 -22.635 1.00 29.41 H new ATOM 0 HD1 TYR A 99 -27.877 33.298 -26.109 1.00 26.57 H new ATOM 0 HD2 TYR A 99 -26.329 34.814 -22.774 1.00 30.55 H new ATOM 0 HE1 TYR A 99 -26.076 34.033 -27.321 1.00 24.87 H new ATOM 0 HE2 TYR A 99 -24.486 35.584 -24.012 1.00 30.95 H new ATOM 0 HH TYR A 99 -23.447 35.592 -26.076 1.00 31.33 H new ATOM 327 N PHE A 100 -27.336 31.320 -21.491 1.00 25.09 N ATOM 328 CA PHE A 100 -26.235 30.710 -20.753 1.00 24.18 C ATOM 329 C PHE A 100 -26.149 29.242 -21.058 1.00 24.84 C ATOM 330 O PHE A 100 -25.055 28.696 -21.203 1.00 21.64 O ATOM 331 CB PHE A 100 -26.392 30.986 -19.259 1.00 23.52 C ATOM 332 CG PHE A 100 -25.303 30.468 -18.411 1.00 27.74 C ATOM 333 CD1 PHE A 100 -25.304 29.164 -18.027 1.00 30.68 C ATOM 334 CD2 PHE A 100 -24.307 31.308 -17.934 1.00 34.01 C ATOM 335 CE1 PHE A 100 -24.247 28.646 -17.269 1.00 38.64 C ATOM 336 CE2 PHE A 100 -23.254 30.810 -17.146 1.00 33.51 C ATOM 337 CZ PHE A 100 -23.241 29.496 -16.794 1.00 34.17 C ATOM 0 H PHE A 100 -27.947 31.686 -21.009 1.00 25.09 H new ATOM 0 HA PHE A 100 -25.396 31.107 -21.035 1.00 24.18 H new ATOM 0 HB2 PHE A 100 -26.459 31.945 -19.126 1.00 23.52 H new ATOM 0 HB3 PHE A 100 -27.229 30.599 -18.959 1.00 23.52 H new ATOM 0 HD1 PHE A 100 -26.012 28.612 -18.270 1.00 30.68 H new ATOM 0 HD2 PHE A 100 -24.336 32.215 -18.139 1.00 34.01 H new ATOM 0 HE1 PHE A 100 -24.213 27.736 -17.081 1.00 38.64 H new ATOM 0 HE2 PHE A 100 -22.571 31.376 -16.867 1.00 33.51 H new ATOM 0 HZ PHE A 100 -22.569 29.165 -16.242 1.00 34.17 H new ATOM 338 N LEU A 101 -27.284 28.570 -21.041 1.00 26.11 N ATOM 339 CA LEU A 101 -27.268 27.119 -21.346 1.00 24.36 C ATOM 340 C LEU A 101 -26.716 26.775 -22.744 1.00 25.30 C ATOM 341 O LEU A 101 -26.002 25.778 -22.884 1.00 24.66 O ATOM 342 CB LEU A 101 -28.667 26.515 -21.186 1.00 26.20 C ATOM 343 CG LEU A 101 -29.127 26.386 -19.716 1.00 31.96 C ATOM 344 CD1 LEU A 101 -30.630 26.219 -19.789 1.00 30.45 C ATOM 345 CD2 LEU A 101 -28.511 25.046 -19.247 1.00 32.64 C ATOM 0 H LEU A 101 -28.056 28.904 -20.864 1.00 26.11 H new ATOM 0 HA LEU A 101 -26.657 26.729 -20.702 1.00 24.36 H new ATOM 0 HB2 LEU A 101 -29.304 27.065 -21.668 1.00 26.20 H new ATOM 0 HB3 LEU A 101 -28.680 25.637 -21.598 1.00 26.20 H new ATOM 0 HG LEU A 101 -28.881 27.126 -19.139 1.00 31.96 H new ATOM 0 HD11 LEU A 101 -30.990 26.131 -18.893 1.00 30.45 H new ATOM 0 HD12 LEU A 101 -31.021 26.995 -20.220 1.00 30.45 H new ATOM 0 HD13 LEU A 101 -30.843 25.424 -20.302 1.00 30.45 H new ATOM 0 HD21 LEU A 101 -28.753 24.884 -18.322 1.00 32.64 H new ATOM 0 HD22 LEU A 101 -28.848 24.324 -19.800 1.00 32.64 H new ATOM 0 HD23 LEU A 101 -27.545 25.089 -19.325 1.00 32.64 H new ATOM 346 N LEU A 102 -27.134 27.543 -23.750 1.00 26.51 N ATOM 347 CA LEU A 102 -26.686 27.371 -25.134 1.00 22.97 C ATOM 348 C LEU A 102 -25.170 27.572 -25.202 1.00 22.16 C ATOM 349 O LEU A 102 -24.446 26.807 -25.852 1.00 23.04 O ATOM 350 CB LEU A 102 -27.334 28.349 -26.041 1.00 25.61 C ATOM 351 CG LEU A 102 -28.749 28.099 -26.409 1.00 35.67 C ATOM 352 CD1 LEU A 102 -29.137 29.314 -27.250 1.00 44.20 C ATOM 353 CD2 LEU A 102 -28.772 26.835 -27.292 1.00 38.27 C ATOM 0 H LEU A 102 -27.694 28.188 -23.647 1.00 26.51 H new ATOM 0 HA LEU A 102 -26.930 26.476 -25.418 1.00 22.97 H new ATOM 0 HB2 LEU A 102 -27.282 29.224 -25.626 1.00 25.61 H new ATOM 0 HB3 LEU A 102 -26.814 28.391 -26.859 1.00 25.61 H new ATOM 0 HG LEU A 102 -29.342 27.974 -25.652 1.00 35.67 H new ATOM 0 HD11 LEU A 102 -30.060 29.229 -27.535 1.00 44.20 H new ATOM 0 HD12 LEU A 102 -29.036 30.120 -26.720 1.00 44.20 H new ATOM 0 HD13 LEU A 102 -28.562 29.365 -28.029 1.00 44.20 H new ATOM 0 HD21 LEU A 102 -29.685 26.639 -27.553 1.00 38.27 H new ATOM 0 HD22 LEU A 102 -28.234 26.984 -28.085 1.00 38.27 H new ATOM 0 HD23 LEU A 102 -28.411 26.085 -26.794 1.00 38.27 H new ATOM 354 N LYS A 103 -24.658 28.568 -24.543 1.00 22.87 N ATOM 355 CA LYS A 103 -23.181 28.723 -24.456 1.00 21.85 C ATOM 356 C LYS A 103 -22.486 27.583 -23.820 1.00 23.92 C ATOM 357 O LYS A 103 -21.472 27.023 -24.367 1.00 23.58 O ATOM 358 CB LYS A 103 -22.811 30.001 -23.756 1.00 24.48 C ATOM 359 CG LYS A 103 -23.088 31.256 -24.530 1.00 27.46 C ATOM 360 CD LYS A 103 -22.365 32.437 -23.935 1.00 35.87 C ATOM 361 CE LYS A 103 -23.125 33.012 -22.779 1.00 41.66 C ATOM 362 NZ LYS A 103 -22.401 34.214 -22.236 1.00 46.68 N ATOM 0 H LYS A 103 -25.114 29.172 -24.135 1.00 22.87 H new ATOM 0 HA LYS A 103 -22.877 28.750 -25.377 1.00 21.85 H new ATOM 0 HB2 LYS A 103 -23.293 30.044 -22.915 1.00 24.48 H new ATOM 0 HB3 LYS A 103 -21.866 29.973 -23.540 1.00 24.48 H new ATOM 0 HG2 LYS A 103 -22.813 31.137 -25.453 1.00 27.46 H new ATOM 0 HG3 LYS A 103 -24.042 31.429 -24.539 1.00 27.46 H new ATOM 0 HD2 LYS A 103 -21.482 32.164 -23.641 1.00 35.87 H new ATOM 0 HD3 LYS A 103 -22.240 33.118 -24.614 1.00 35.87 H new ATOM 0 HE2 LYS A 103 -24.018 33.263 -23.062 1.00 41.66 H new ATOM 0 HE3 LYS A 103 -23.225 32.344 -22.083 1.00 41.66 H new ATOM 0 HZ1 LYS A 103 -22.992 34.798 -21.917 1.00 46.68 H new ATOM 0 HZ2 LYS A 103 -21.853 33.960 -21.582 1.00 46.68 H new ATOM 0 HZ3 LYS A 103 -21.929 34.596 -22.887 1.00 46.68 H new ATOM 363 N LEU A 104 -22.981 27.177 -22.647 1.00 24.65 N ATOM 364 CA LEU A 104 -22.397 26.066 -21.972 1.00 23.03 C ATOM 365 C LEU A 104 -22.407 24.830 -22.838 1.00 20.61 C ATOM 366 O LEU A 104 -21.426 24.080 -22.910 1.00 21.81 O ATOM 367 CB LEU A 104 -23.215 25.794 -20.643 1.00 24.46 C ATOM 368 CG LEU A 104 -22.632 24.697 -19.751 1.00 24.27 C ATOM 369 CD1 LEU A 104 -21.404 25.267 -19.047 1.00 26.39 C ATOM 370 CD2 LEU A 104 -23.632 24.269 -18.713 1.00 29.18 C ATOM 0 H LEU A 104 -23.649 27.540 -22.244 1.00 24.65 H new ATOM 0 HA LEU A 104 -21.473 26.275 -21.765 1.00 23.03 H new ATOM 0 HB2 LEU A 104 -23.264 26.618 -20.133 1.00 24.46 H new ATOM 0 HB3 LEU A 104 -24.124 25.553 -20.880 1.00 24.46 H new ATOM 0 HG LEU A 104 -22.401 23.927 -20.294 1.00 24.27 H new ATOM 0 HD11 LEU A 104 -21.015 24.588 -18.474 1.00 26.39 H new ATOM 0 HD12 LEU A 104 -20.751 25.544 -19.709 1.00 26.39 H new ATOM 0 HD13 LEU A 104 -21.664 26.032 -18.511 1.00 26.39 H new ATOM 0 HD21 LEU A 104 -23.245 23.574 -18.158 1.00 29.18 H new ATOM 0 HD22 LEU A 104 -23.870 25.029 -18.160 1.00 29.18 H new ATOM 0 HD23 LEU A 104 -24.427 23.927 -19.151 1.00 29.18 H new ATOM 371 N ALA A 105 -23.565 24.507 -23.469 1.00 23.20 N ATOM 372 CA ALA A 105 -23.679 23.293 -24.246 1.00 24.24 C ATOM 373 C ALA A 105 -22.751 23.235 -25.462 1.00 24.64 C ATOM 374 O ALA A 105 -22.405 22.164 -25.945 1.00 24.24 O ATOM 375 CB ALA A 105 -25.108 23.116 -24.615 1.00 24.86 C ATOM 0 H ALA A 105 -24.278 24.987 -23.447 1.00 23.20 H new ATOM 0 HA ALA A 105 -23.379 22.552 -23.697 1.00 24.24 H new ATOM 0 HB1 ALA A 105 -25.209 22.306 -25.138 1.00 24.86 H new ATOM 0 HB2 ALA A 105 -25.645 23.050 -23.810 1.00 24.86 H new ATOM 0 HB3 ALA A 105 -25.404 23.877 -25.138 1.00 24.86 H new ATOM 376 N GLY A 106 -22.372 24.415 -25.967 1.00 24.68 N ATOM 377 CA GLY A 106 -21.414 24.457 -27.067 1.00 24.50 C ATOM 378 C GLY A 106 -19.990 24.210 -26.677 1.00 29.14 C ATOM 379 O GLY A 106 -19.139 23.899 -27.486 1.00 29.48 O ATOM 0 H GLY A 106 -22.651 25.181 -25.693 1.00 24.68 H new ATOM 0 HA2 GLY A 106 -21.673 23.797 -27.729 1.00 24.50 H new ATOM 0 HA3 GLY A 106 -21.472 25.325 -27.495 1.00 24.50 H new ATOM 380 N ARG A 107 -19.735 24.281 -25.384 1.00 25.35 N ATOM 381 CA ARG A 107 -18.336 24.133 -24.788 1.00 27.86 C ATOM 382 C ARG A 107 -18.094 22.741 -24.330 1.00 33.67 C ATOM 383 O ARG A 107 -17.002 22.232 -24.516 1.00 35.15 O ATOM 384 CB ARG A 107 -18.015 25.122 -23.662 1.00 35.59 C ATOM 385 CG ARG A 107 -18.374 26.538 -23.937 1.00 41.82 C ATOM 386 CD ARG A 107 -18.024 27.672 -22.877 1.00 48.06 C ATOM 387 NE ARG A 107 -18.134 28.852 -23.773 1.00 56.28 N ATOM 388 CZ ARG A 107 -18.606 30.071 -23.487 1.00 69.32 C ATOM 389 NH1 ARG A 107 -18.990 30.393 -22.247 1.00 71.66 N ATOM 390 NH2 ARG A 107 -18.645 31.001 -24.469 1.00 65.79 N ATOM 0 H ARG A 107 -20.346 24.416 -24.794 1.00 25.35 H new ATOM 0 HA ARG A 107 -17.731 24.350 -25.515 1.00 27.86 H new ATOM 0 HB2 ARG A 107 -18.479 24.837 -22.859 1.00 35.59 H new ATOM 0 HB3 ARG A 107 -17.065 25.076 -23.472 1.00 35.59 H new ATOM 0 HG2 ARG A 107 -17.950 26.785 -24.774 1.00 41.82 H new ATOM 0 HG3 ARG A 107 -19.332 26.568 -24.085 1.00 41.82 H new ATOM 0 HD2 ARG A 107 -18.650 27.702 -22.137 1.00 48.06 H new ATOM 0 HD3 ARG A 107 -17.138 27.570 -22.495 1.00 48.06 H new ATOM 0 HE ARG A 107 -17.859 28.737 -24.580 1.00 56.28 H new ATOM 0 HH11 ARG A 107 -18.936 29.812 -21.616 1.00 71.66 H new ATOM 0 HH12 ARG A 107 -19.291 31.181 -22.081 1.00 71.66 H new ATOM 0 HH21 ARG A 107 -18.370 30.804 -25.259 1.00 65.79 H new ATOM 0 HH22 ARG A 107 -18.945 31.790 -24.303 1.00 65.79 H new ATOM 391 N TRP A 108 -19.112 22.104 -23.733 1.00 28.95 N ATOM 392 CA TRP A 108 -18.970 20.826 -22.997 1.00 28.40 C ATOM 393 C TRP A 108 -20.111 19.919 -23.414 1.00 27.70 C ATOM 394 O TRP A 108 -21.109 20.416 -23.876 1.00 30.16 O ATOM 395 CB TRP A 108 -19.069 21.103 -21.472 1.00 28.69 C ATOM 396 CG TRP A 108 -18.074 22.048 -20.965 1.00 25.17 C ATOM 397 CD1 TRP A 108 -18.302 23.348 -20.570 1.00 28.62 C ATOM 398 CD2 TRP A 108 -16.714 21.808 -20.763 1.00 26.01 C ATOM 399 NE1 TRP A 108 -17.154 23.923 -20.176 1.00 24.04 N ATOM 400 CE2 TRP A 108 -16.156 23.015 -20.237 1.00 28.85 C ATOM 401 CE3 TRP A 108 -15.852 20.703 -20.989 1.00 28.52 C ATOM 402 CZ2 TRP A 108 -14.804 23.149 -19.938 1.00 29.08 C ATOM 403 CZ3 TRP A 108 -14.494 20.826 -20.639 1.00 30.13 C ATOM 404 CH2 TRP A 108 -13.977 22.093 -20.186 1.00 31.99 C ATOM 0 H TRP A 108 -19.918 22.404 -23.742 1.00 28.95 H new ATOM 0 HA TRP A 108 -18.115 20.411 -23.194 1.00 28.40 H new ATOM 0 HB2 TRP A 108 -19.955 21.445 -21.273 1.00 28.69 H new ATOM 0 HB3 TRP A 108 -18.975 20.264 -20.995 1.00 28.69 H new ATOM 0 HD1 TRP A 108 -19.132 23.767 -20.575 1.00 28.62 H new ATOM 0 HE1 TRP A 108 -17.068 24.741 -19.924 1.00 24.04 H new ATOM 0 HE3 TRP A 108 -16.177 19.915 -21.360 1.00 28.52 H new ATOM 0 HZ2 TRP A 108 -14.472 23.939 -19.578 1.00 29.08 H new ATOM 0 HZ3 TRP A 108 -13.930 20.089 -20.700 1.00 30.13 H new ATOM 0 HH2 TRP A 108 -13.061 22.192 -20.060 1.00 31.99 H new ATOM 405 N PRO A 109 -19.946 18.590 -23.286 1.00 29.70 N ATOM 406 CA PRO A 109 -21.008 17.624 -23.659 1.00 30.64 C ATOM 407 C PRO A 109 -22.004 17.583 -22.531 1.00 33.20 C ATOM 408 O PRO A 109 -21.878 16.747 -21.647 1.00 39.40 O ATOM 409 CB PRO A 109 -20.252 16.359 -23.863 1.00 31.27 C ATOM 410 CG PRO A 109 -19.103 16.457 -22.918 1.00 31.89 C ATOM 411 CD PRO A 109 -18.732 17.892 -22.842 1.00 31.05 C ATOM 0 HA PRO A 109 -21.525 17.832 -24.453 1.00 30.64 H new ATOM 0 HB2 PRO A 109 -20.802 15.583 -23.671 1.00 31.27 H new ATOM 0 HB3 PRO A 109 -19.949 16.272 -24.780 1.00 31.27 H new ATOM 0 HG2 PRO A 109 -19.348 16.118 -22.043 1.00 31.89 H new ATOM 0 HG3 PRO A 109 -18.355 15.924 -23.230 1.00 31.89 H new ATOM 0 HD2 PRO A 109 -18.483 18.148 -21.940 1.00 31.05 H new ATOM 0 HD3 PRO A 109 -17.975 18.095 -23.414 1.00 31.05 H new ATOM 412 N VAL A 110 -22.990 18.492 -22.587 1.00 28.85 N ATOM 413 CA VAL A 110 -23.882 18.686 -21.495 1.00 25.95 C ATOM 414 C VAL A 110 -25.103 17.743 -21.757 1.00 34.07 C ATOM 415 O VAL A 110 -25.851 17.953 -22.726 1.00 32.78 O ATOM 416 CB VAL A 110 -24.403 20.121 -21.347 1.00 27.24 C ATOM 417 CG1 VAL A 110 -25.360 20.267 -20.168 1.00 30.94 C ATOM 418 CG2 VAL A 110 -23.281 21.135 -21.082 1.00 26.82 C ATOM 0 H VAL A 110 -23.140 18.999 -23.265 1.00 28.85 H new ATOM 0 HA VAL A 110 -23.400 18.494 -20.676 1.00 25.95 H new ATOM 0 HB VAL A 110 -24.844 20.300 -22.192 1.00 27.24 H new ATOM 0 HG11 VAL A 110 -25.665 21.186 -20.110 1.00 30.94 H new ATOM 0 HG12 VAL A 110 -26.123 19.681 -20.295 1.00 30.94 H new ATOM 0 HG13 VAL A 110 -24.902 20.027 -19.347 1.00 30.94 H new ATOM 0 HG21 VAL A 110 -23.661 22.023 -20.997 1.00 26.82 H new ATOM 0 HG22 VAL A 110 -22.820 20.901 -20.261 1.00 26.82 H new ATOM 0 HG23 VAL A 110 -22.652 21.122 -21.820 1.00 26.82 H new ATOM 419 N LYS A 111 -25.349 16.836 -20.826 1.00 33.26 N ATOM 420 CA LYS A 111 -26.475 15.893 -20.927 1.00 31.14 C ATOM 421 C LYS A 111 -27.655 16.238 -20.037 1.00 27.22 C ATOM 422 O LYS A 111 -28.788 16.310 -20.523 1.00 32.21 O ATOM 423 CB LYS A 111 -26.034 14.422 -20.636 1.00 38.07 C ATOM 424 CG LYS A 111 -24.792 14.001 -21.427 1.00 51.21 C ATOM 425 CD LYS A 111 -25.028 13.915 -22.940 1.00 65.69 C ATOM 426 CE LYS A 111 -23.798 13.377 -23.688 1.00 75.61 C ATOM 427 NZ LYS A 111 -23.106 12.261 -22.962 1.00 83.89 N ATOM 0 H LYS A 111 -24.874 16.742 -20.115 1.00 33.26 H new ATOM 0 HA LYS A 111 -26.770 15.973 -21.848 1.00 31.14 H new ATOM 0 HB2 LYS A 111 -25.855 14.325 -19.688 1.00 38.07 H new ATOM 0 HB3 LYS A 111 -26.766 13.822 -20.850 1.00 38.07 H new ATOM 0 HG2 LYS A 111 -24.078 14.634 -21.254 1.00 51.21 H new ATOM 0 HG3 LYS A 111 -24.490 13.137 -21.105 1.00 51.21 H new ATOM 0 HD2 LYS A 111 -25.789 13.339 -23.115 1.00 65.69 H new ATOM 0 HD3 LYS A 111 -25.253 14.795 -23.281 1.00 65.69 H new ATOM 0 HE2 LYS A 111 -24.071 13.064 -24.565 1.00 75.61 H new ATOM 0 HE3 LYS A 111 -23.169 14.102 -23.829 1.00 75.61 H new ATOM 0 HZ1 LYS A 111 -22.497 11.892 -23.496 1.00 83.89 H new ATOM 0 HZ2 LYS A 111 -22.706 12.583 -22.235 1.00 83.89 H new ATOM 0 HZ3 LYS A 111 -23.704 11.646 -22.724 1.00 83.89 H new ATOM 428 N THR A 112 -27.364 16.584 -18.804 1.00 27.09 N ATOM 429 CA THR A 112 -28.459 16.889 -17.874 1.00 30.72 C ATOM 430 C THR A 112 -28.076 17.992 -17.004 1.00 26.92 C ATOM 431 O THR A 112 -26.865 18.199 -16.750 1.00 31.96 O ATOM 432 CB THR A 112 -28.897 15.651 -17.019 1.00 36.13 C ATOM 433 OG1 THR A 112 -27.852 15.327 -16.172 1.00 47.39 O ATOM 434 CG2 THR A 112 -29.090 14.473 -17.890 1.00 35.32 C ATOM 0 H THR A 112 -26.570 16.651 -18.480 1.00 27.09 H new ATOM 0 HA THR A 112 -29.226 17.142 -18.411 1.00 30.72 H new ATOM 0 HB THR A 112 -29.715 15.869 -16.546 1.00 36.13 H new ATOM 0 HG1 THR A 112 -28.147 14.890 -15.518 1.00 47.39 H new ATOM 0 HG21 THR A 112 -29.361 13.713 -17.351 1.00 35.32 H new ATOM 0 HG22 THR A 112 -29.778 14.665 -18.546 1.00 35.32 H new ATOM 0 HG23 THR A 112 -28.258 14.267 -18.345 1.00 35.32 H new ATOM 435 N VAL A 113 -29.059 18.823 -16.679 1.00 27.22 N ATOM 436 CA VAL A 113 -28.860 19.967 -15.828 1.00 28.20 C ATOM 437 C VAL A 113 -29.794 19.897 -14.630 1.00 32.80 C ATOM 438 O VAL A 113 -30.980 19.705 -14.756 1.00 32.36 O ATOM 439 CB VAL A 113 -29.031 21.315 -16.564 1.00 32.49 C ATOM 440 CG1 VAL A 113 -28.792 22.458 -15.573 1.00 38.03 C ATOM 441 CG2 VAL A 113 -28.049 21.461 -17.699 1.00 30.77 C ATOM 0 H VAL A 113 -29.868 18.730 -16.954 1.00 27.22 H new ATOM 0 HA VAL A 113 -27.938 19.933 -15.529 1.00 28.20 H new ATOM 0 HB VAL A 113 -29.930 21.344 -16.927 1.00 32.49 H new ATOM 0 HG11 VAL A 113 -28.898 23.308 -16.028 1.00 38.03 H new ATOM 0 HG12 VAL A 113 -29.434 22.398 -14.848 1.00 38.03 H new ATOM 0 HG13 VAL A 113 -27.893 22.393 -15.215 1.00 38.03 H new ATOM 0 HG21 VAL A 113 -28.185 22.316 -18.137 1.00 30.77 H new ATOM 0 HG22 VAL A 113 -27.144 21.416 -17.352 1.00 30.77 H new ATOM 0 HG23 VAL A 113 -28.185 20.745 -18.339 1.00 30.77 H new ATOM 442 N HIS A 114 -29.207 20.022 -13.443 1.00 26.31 N ATOM 443 CA HIS A 114 -29.984 20.129 -12.207 1.00 31.16 C ATOM 444 C HIS A 114 -29.943 21.501 -11.679 1.00 34.58 C ATOM 445 O HIS A 114 -28.992 22.281 -11.942 1.00 30.57 O ATOM 446 CB HIS A 114 -29.433 19.166 -11.139 1.00 34.19 C ATOM 447 CG HIS A 114 -29.397 17.714 -11.539 1.00 48.40 C ATOM 448 ND1 HIS A 114 -28.518 16.807 -10.969 1.00 56.49 N ATOM 449 CD2 HIS A 114 -30.175 16.985 -12.384 1.00 62.05 C ATOM 450 CE1 HIS A 114 -28.717 15.599 -11.489 1.00 58.84 C ATOM 451 NE2 HIS A 114 -29.728 15.675 -12.340 1.00 59.68 N ATOM 0 H HIS A 114 -28.355 20.047 -13.330 1.00 26.31 H new ATOM 0 HA HIS A 114 -30.902 19.894 -12.415 1.00 31.16 H new ATOM 0 HB2 HIS A 114 -28.533 19.445 -10.907 1.00 34.19 H new ATOM 0 HB3 HIS A 114 -29.973 19.252 -10.338 1.00 34.19 H new ATOM 0 HD2 HIS A 114 -30.879 17.308 -12.898 1.00 62.05 H new ATOM 0 HE1 HIS A 114 -28.230 14.833 -11.289 1.00 58.84 H new ATOM 0 HE2 HIS A 114 -30.054 15.019 -12.791 1.00 59.68 H new ATOM 452 N THR A 115 -30.937 21.845 -10.880 1.00 30.71 N ATOM 453 CA THR A 115 -30.995 23.155 -10.227 1.00 30.65 C ATOM 454 C THR A 115 -31.644 22.995 -8.824 1.00 29.48 C ATOM 455 O THR A 115 -32.306 21.978 -8.577 1.00 33.45 O ATOM 456 CB THR A 115 -31.743 24.172 -11.082 1.00 31.37 C ATOM 457 OG1 THR A 115 -31.671 25.510 -10.509 1.00 27.48 O ATOM 458 CG2 THR A 115 -33.240 23.739 -11.270 1.00 35.38 C ATOM 0 H THR A 115 -31.601 21.330 -10.696 1.00 30.71 H new ATOM 0 HA THR A 115 -30.094 23.498 -10.119 1.00 30.65 H new ATOM 0 HB THR A 115 -31.312 24.198 -11.951 1.00 31.37 H new ATOM 0 HG1 THR A 115 -30.910 25.835 -10.651 1.00 27.48 H new ATOM 0 HG21 THR A 115 -33.701 24.396 -11.815 1.00 35.38 H new ATOM 0 HG22 THR A 115 -33.274 22.874 -11.708 1.00 35.38 H new ATOM 0 HG23 THR A 115 -33.671 23.679 -10.403 1.00 35.38 H new ATOM 459 N ASP A 116 -31.457 23.986 -7.965 1.00 34.60 N ATOM 460 CA ASP A 116 -32.133 24.018 -6.640 1.00 37.43 C ATOM 461 C ASP A 116 -33.443 24.865 -6.738 1.00 32.46 C ATOM 462 O ASP A 116 -34.134 25.122 -5.749 1.00 35.29 O ATOM 463 CB ASP A 116 -31.179 24.645 -5.571 1.00 43.21 C ATOM 464 CG ASP A 116 -30.181 23.612 -4.961 1.00 57.57 C ATOM 465 OD1 ASP A 116 -30.262 22.407 -5.322 1.00 59.35 O ATOM 466 OD2 ASP A 116 -29.309 24.017 -4.121 1.00 63.34 O ATOM 0 H ASP A 116 -30.944 24.659 -8.116 1.00 34.60 H new ATOM 0 HA ASP A 116 -32.356 23.112 -6.375 1.00 37.43 H new ATOM 0 HB2 ASP A 116 -30.678 25.369 -5.977 1.00 43.21 H new ATOM 0 HB3 ASP A 116 -31.711 25.033 -4.858 1.00 43.21 H new ATOM 467 N ASN A 117 -33.755 25.373 -7.910 1.00 29.16 N ATOM 468 CA ASN A 117 -35.012 26.117 -8.115 1.00 29.71 C ATOM 469 C ASN A 117 -35.548 25.730 -9.503 1.00 26.84 C ATOM 470 O ASN A 117 -35.246 26.355 -10.524 1.00 28.03 O ATOM 471 CB ASN A 117 -34.806 27.628 -7.992 1.00 31.09 C ATOM 472 CG ASN A 117 -36.116 28.461 -8.176 1.00 31.59 C ATOM 473 OD1 ASN A 117 -37.146 27.982 -8.646 1.00 31.65 O ATOM 474 ND2 ASN A 117 -36.041 29.724 -7.825 1.00 32.25 N ATOM 0 H ASN A 117 -33.261 25.306 -8.611 1.00 29.16 H new ATOM 0 HA ASN A 117 -35.655 25.884 -7.427 1.00 29.71 H new ATOM 0 HB2 ASN A 117 -34.428 27.824 -7.121 1.00 31.09 H new ATOM 0 HB3 ASN A 117 -34.156 27.912 -8.654 1.00 31.09 H new ATOM 0 HD21 ASN A 117 -36.723 30.238 -7.922 1.00 32.25 H new ATOM 0 HD22 ASN A 117 -35.310 30.037 -7.498 1.00 32.25 H new ATOM 475 N GLY A 118 -36.399 24.701 -9.488 1.00 26.95 N ATOM 476 CA GLY A 118 -37.030 24.158 -10.648 1.00 26.82 C ATOM 477 C GLY A 118 -37.805 25.127 -11.479 1.00 27.03 C ATOM 478 O GLY A 118 -37.774 25.035 -12.680 1.00 29.21 O ATOM 0 H GLY A 118 -36.622 24.296 -8.763 1.00 26.95 H new ATOM 0 HA2 GLY A 118 -36.349 23.752 -11.206 1.00 26.82 H new ATOM 0 HA3 GLY A 118 -37.628 23.447 -10.368 1.00 26.82 H new ATOM 479 N SER A 119 -38.499 26.061 -10.838 1.00 24.89 N ATOM 480 CA SER A 119 -39.269 27.044 -11.555 1.00 25.87 C ATOM 481 C SER A 119 -38.470 27.905 -12.552 1.00 28.19 C ATOM 482 O SER A 119 -39.034 28.421 -13.514 1.00 30.56 O ATOM 483 CB SER A 119 -40.000 27.973 -10.626 1.00 24.66 C ATOM 484 OG SER A 119 -39.157 28.882 -9.952 1.00 28.16 O ATOM 0 H SER A 119 -38.532 26.136 -9.982 1.00 24.89 H new ATOM 0 HA SER A 119 -39.890 26.503 -12.068 1.00 25.87 H new ATOM 0 HB2 SER A 119 -40.660 28.471 -11.133 1.00 24.66 H new ATOM 0 HB3 SER A 119 -40.484 27.447 -9.971 1.00 24.66 H new ATOM 0 HG SER A 119 -38.664 28.463 -9.416 1.00 28.16 H new ATOM 485 N ASN A 120 -37.204 28.050 -12.301 1.00 30.24 N ATOM 486 CA ASN A 120 -36.359 28.798 -13.266 1.00 36.65 C ATOM 487 C ASN A 120 -36.161 28.176 -14.629 1.00 32.70 C ATOM 488 O ASN A 120 -35.641 28.875 -15.465 1.00 34.68 O ATOM 489 CB ASN A 120 -35.010 29.094 -12.632 1.00 36.26 C ATOM 490 CG ASN A 120 -35.093 30.247 -11.655 1.00 39.64 C ATOM 491 OD1 ASN A 120 -36.091 31.090 -11.631 1.00 43.85 O ATOM 492 ND2 ASN A 120 -34.117 30.284 -10.776 1.00 43.56 N ATOM 0 H ASN A 120 -36.797 27.745 -11.608 1.00 30.24 H new ATOM 0 HA ASN A 120 -36.863 29.606 -13.451 1.00 36.65 H new ATOM 0 HB2 ASN A 120 -34.687 28.303 -12.173 1.00 36.26 H new ATOM 0 HB3 ASN A 120 -34.365 29.303 -13.326 1.00 36.26 H new ATOM 0 HD21 ASN A 120 -34.120 30.879 -10.155 1.00 43.56 H new ATOM 0 HD22 ASN A 120 -33.475 29.713 -10.822 1.00 43.56 H new ATOM 493 N PHE A 121 -36.608 26.944 -14.829 1.00 29.65 N ATOM 494 CA PHE A 121 -36.476 26.251 -16.080 1.00 31.16 C ATOM 495 C PHE A 121 -37.793 26.032 -16.776 1.00 33.27 C ATOM 496 O PHE A 121 -37.958 25.162 -17.632 1.00 33.02 O ATOM 497 CB PHE A 121 -35.826 24.890 -15.902 1.00 29.28 C ATOM 498 CG PHE A 121 -34.337 24.916 -15.563 1.00 33.14 C ATOM 499 CD1 PHE A 121 -33.488 25.918 -15.925 1.00 37.85 C ATOM 500 CD2 PHE A 121 -33.765 23.735 -15.035 1.00 47.13 C ATOM 501 CE1 PHE A 121 -32.131 25.869 -15.646 1.00 36.82 C ATOM 502 CE2 PHE A 121 -32.414 23.666 -14.742 1.00 48.70 C ATOM 503 CZ PHE A 121 -31.590 24.739 -15.056 1.00 48.32 C ATOM 0 H PHE A 121 -37.005 26.484 -14.220 1.00 29.65 H new ATOM 0 HA PHE A 121 -35.919 26.829 -16.624 1.00 31.16 H new ATOM 0 HB2 PHE A 121 -36.294 24.414 -15.198 1.00 29.28 H new ATOM 0 HB3 PHE A 121 -35.948 24.381 -16.719 1.00 29.28 H new ATOM 0 HD1 PHE A 121 -33.829 26.658 -16.373 1.00 37.85 H new ATOM 0 HD2 PHE A 121 -34.305 22.993 -14.882 1.00 47.13 H new ATOM 0 HE1 PHE A 121 -31.586 26.593 -15.854 1.00 36.82 H new ATOM 0 HE2 PHE A 121 -32.061 22.907 -14.338 1.00 48.70 H new ATOM 0 HZ PHE A 121 -30.679 24.699 -14.871 1.00 48.32 H new ATOM 504 N THR A 122 -38.754 26.834 -16.411 1.00 34.26 N ATOM 505 CA THR A 122 -40.133 26.619 -16.890 1.00 32.34 C ATOM 506 C THR A 122 -40.462 27.507 -18.126 1.00 32.31 C ATOM 507 O THR A 122 -41.418 27.269 -18.864 1.00 37.41 O ATOM 508 CB THR A 122 -40.904 26.938 -15.596 1.00 35.41 C ATOM 509 OG1 THR A 122 -41.619 25.838 -15.059 1.00 47.47 O ATOM 510 CG2 THR A 122 -41.375 28.286 -15.546 1.00 29.57 C ATOM 0 H THR A 122 -38.652 27.511 -15.890 1.00 34.26 H new ATOM 0 HA THR A 122 -40.345 25.741 -17.243 1.00 32.34 H new ATOM 0 HB THR A 122 -40.308 27.009 -14.834 1.00 35.41 H new ATOM 0 HG1 THR A 122 -42.014 26.076 -14.357 1.00 47.47 H new ATOM 0 HG21 THR A 122 -41.851 28.432 -14.714 1.00 29.57 H new ATOM 0 HG22 THR A 122 -40.621 28.894 -15.598 1.00 29.57 H new ATOM 0 HG23 THR A 122 -41.973 28.448 -16.293 1.00 29.57 H new ATOM 511 N SER A 123 -39.710 28.528 -18.393 1.00 33.40 N ATOM 512 CA SER A 123 -40.075 29.346 -19.509 1.00 31.88 C ATOM 513 C SER A 123 -39.956 28.581 -20.836 1.00 31.24 C ATOM 514 O SER A 123 -39.192 27.593 -20.987 1.00 30.98 O ATOM 515 CB SER A 123 -39.242 30.634 -19.567 1.00 36.83 C ATOM 516 OG SER A 123 -37.842 30.375 -19.817 1.00 35.79 O ATOM 0 H SER A 123 -39.005 28.765 -17.960 1.00 33.40 H new ATOM 0 HA SER A 123 -41.005 29.591 -19.380 1.00 31.88 H new ATOM 0 HB2 SER A 123 -39.591 31.211 -20.265 1.00 36.83 H new ATOM 0 HB3 SER A 123 -39.335 31.114 -18.729 1.00 36.83 H new ATOM 0 HG SER A 123 -37.569 30.879 -20.431 1.00 35.79 H new ATOM 517 N THR A 124 -40.729 29.077 -21.808 1.00 35.04 N ATOM 518 CA THR A 124 -40.636 28.662 -23.191 1.00 34.75 C ATOM 519 C THR A 124 -39.213 28.805 -23.739 1.00 30.69 C ATOM 520 O THR A 124 -38.759 27.908 -24.451 1.00 29.81 O ATOM 521 CB THR A 124 -41.627 29.510 -23.982 1.00 37.93 C ATOM 522 OG1 THR A 124 -42.891 29.197 -23.441 1.00 44.62 O ATOM 523 CG2 THR A 124 -41.632 29.116 -25.354 1.00 45.57 C ATOM 0 H THR A 124 -41.331 29.675 -21.669 1.00 35.04 H new ATOM 0 HA THR A 124 -40.853 27.720 -23.271 1.00 34.75 H new ATOM 0 HB THR A 124 -41.403 30.452 -23.929 1.00 37.93 H new ATOM 0 HG1 THR A 124 -43.484 29.639 -23.839 1.00 44.62 H new ATOM 0 HG21 THR A 124 -42.265 29.662 -25.845 1.00 45.57 H new ATOM 0 HG22 THR A 124 -40.745 29.235 -25.728 1.00 45.57 H new ATOM 0 HG23 THR A 124 -41.889 28.183 -25.422 1.00 45.57 H new ATOM 524 N THR A 125 -38.533 29.916 -23.428 1.00 30.11 N ATOM 525 CA THR A 125 -37.219 30.139 -24.006 1.00 31.28 C ATOM 526 C THR A 125 -36.237 29.173 -23.419 1.00 28.76 C ATOM 527 O THR A 125 -35.403 28.610 -24.157 1.00 25.74 O ATOM 528 CB THR A 125 -36.688 31.591 -23.898 1.00 41.31 C ATOM 529 OG1 THR A 125 -36.511 31.944 -22.532 1.00 48.40 O ATOM 530 CG2 THR A 125 -37.721 32.533 -24.476 1.00 48.27 C ATOM 0 H THR A 125 -38.812 30.533 -22.898 1.00 30.11 H new ATOM 0 HA THR A 125 -37.323 29.986 -24.958 1.00 31.28 H new ATOM 0 HB THR A 125 -35.845 31.653 -24.374 1.00 41.31 H new ATOM 0 HG1 THR A 125 -36.222 32.731 -22.481 1.00 48.40 H new ATOM 0 HG21 THR A 125 -37.398 33.446 -24.413 1.00 48.27 H new ATOM 0 HG22 THR A 125 -37.878 32.309 -25.407 1.00 48.27 H new ATOM 0 HG23 THR A 125 -38.550 32.449 -23.979 1.00 48.27 H new ATOM 531 N VAL A 126 -36.346 28.891 -22.128 1.00 25.27 N ATOM 532 CA VAL A 126 -35.428 27.883 -21.565 1.00 24.88 C ATOM 533 C VAL A 126 -35.718 26.455 -22.129 1.00 27.16 C ATOM 534 O VAL A 126 -34.822 25.699 -22.447 1.00 25.44 O ATOM 535 CB VAL A 126 -35.426 27.892 -19.999 1.00 27.83 C ATOM 536 CG1 VAL A 126 -34.731 26.685 -19.466 1.00 27.05 C ATOM 537 CG2 VAL A 126 -34.792 29.133 -19.444 1.00 28.19 C ATOM 0 H VAL A 126 -36.907 29.243 -21.580 1.00 25.27 H new ATOM 0 HA VAL A 126 -34.535 28.132 -21.850 1.00 24.88 H new ATOM 0 HB VAL A 126 -36.353 27.879 -19.714 1.00 27.83 H new ATOM 0 HG11 VAL A 126 -34.740 26.708 -18.496 1.00 27.05 H new ATOM 0 HG12 VAL A 126 -35.187 25.886 -19.774 1.00 27.05 H new ATOM 0 HG13 VAL A 126 -33.813 26.674 -19.780 1.00 27.05 H new ATOM 0 HG21 VAL A 126 -34.810 29.100 -18.475 1.00 28.19 H new ATOM 0 HG22 VAL A 126 -33.873 29.191 -19.748 1.00 28.19 H new ATOM 0 HG23 VAL A 126 -35.283 29.912 -19.750 1.00 28.19 H new ATOM 538 N LYS A 127 -36.981 26.028 -22.186 1.00 26.18 N ATOM 539 CA LYS A 127 -37.297 24.725 -22.771 1.00 26.39 C ATOM 540 C LYS A 127 -36.830 24.610 -24.251 1.00 27.22 C ATOM 541 O LYS A 127 -36.307 23.577 -24.651 1.00 28.36 O ATOM 542 CB LYS A 127 -38.800 24.495 -22.641 1.00 30.65 C ATOM 543 CG LYS A 127 -39.228 24.199 -21.226 1.00 38.67 C ATOM 544 CD LYS A 127 -40.740 24.297 -21.133 1.00 44.44 C ATOM 545 CE LYS A 127 -41.295 23.444 -19.967 1.00 58.65 C ATOM 546 NZ LYS A 127 -42.613 23.959 -19.418 1.00 69.13 N ATOM 0 H LYS A 127 -37.659 26.470 -21.896 1.00 26.18 H new ATOM 0 HA LYS A 127 -36.812 24.036 -22.289 1.00 26.39 H new ATOM 0 HB2 LYS A 127 -39.271 25.281 -22.959 1.00 30.65 H new ATOM 0 HB3 LYS A 127 -39.060 23.757 -23.214 1.00 30.65 H new ATOM 0 HG2 LYS A 127 -38.934 23.312 -20.966 1.00 38.67 H new ATOM 0 HG3 LYS A 127 -38.814 24.826 -20.613 1.00 38.67 H new ATOM 0 HD2 LYS A 127 -40.998 25.224 -21.008 1.00 44.44 H new ATOM 0 HD3 LYS A 127 -41.136 24.002 -21.968 1.00 44.44 H new ATOM 0 HE2 LYS A 127 -41.414 22.531 -20.271 1.00 58.65 H new ATOM 0 HE3 LYS A 127 -40.641 23.422 -19.251 1.00 58.65 H new ATOM 0 HZ1 LYS A 127 -42.884 23.433 -18.753 1.00 69.13 H new ATOM 0 HZ2 LYS A 127 -42.504 24.788 -19.114 1.00 69.13 H new ATOM 0 HZ3 LYS A 127 -43.225 23.958 -20.064 1.00 69.13 H new ATOM 547 N ALA A 128 -36.924 25.701 -24.987 1.00 28.88 N ATOM 548 CA ALA A 128 -36.468 25.741 -26.364 1.00 26.99 C ATOM 549 C ALA A 128 -34.955 25.459 -26.421 1.00 23.75 C ATOM 550 O ALA A 128 -34.452 24.667 -27.308 1.00 26.43 O ATOM 551 CB ALA A 128 -36.845 27.043 -26.989 1.00 31.15 C ATOM 0 H ALA A 128 -37.255 26.442 -24.703 1.00 28.88 H new ATOM 0 HA ALA A 128 -36.904 25.046 -26.882 1.00 26.99 H new ATOM 0 HB1 ALA A 128 -36.537 27.062 -27.909 1.00 31.15 H new ATOM 0 HB2 ALA A 128 -37.809 27.144 -26.969 1.00 31.15 H new ATOM 0 HB3 ALA A 128 -36.434 27.770 -26.496 1.00 31.15 H new ATOM 552 N ALA A 129 -34.196 26.186 -25.574 1.00 25.26 N ATOM 553 CA ALA A 129 -32.717 26.013 -25.569 1.00 23.22 C ATOM 554 C ALA A 129 -32.364 24.554 -25.223 1.00 26.71 C ATOM 555 O ALA A 129 -31.486 23.959 -25.847 1.00 25.05 O ATOM 556 CB ALA A 129 -32.050 27.013 -24.588 1.00 25.77 C ATOM 0 H ALA A 129 -34.500 26.764 -25.014 1.00 25.26 H new ATOM 0 HA ALA A 129 -32.370 26.206 -26.454 1.00 23.22 H new ATOM 0 HB1 ALA A 129 -31.089 26.885 -24.599 1.00 25.77 H new ATOM 0 HB2 ALA A 129 -32.258 27.921 -24.860 1.00 25.77 H new ATOM 0 HB3 ALA A 129 -32.386 26.860 -23.691 1.00 25.77 H new HETATM 557 N CAS A 130 -33.032 23.949 -24.213 1.00 25.31 N HETATM 558 CA CAS A 130 -32.714 22.557 -23.780 1.00 24.21 C HETATM 559 CB CAS A 130 -33.476 22.128 -22.497 1.00 26.92 C HETATM 560 C CAS A 130 -33.090 21.591 -24.908 1.00 25.07 C HETATM 561 O CAS A 130 -32.351 20.663 -25.193 1.00 28.68 O HETATM 562 SG CAS A 130 -32.777 23.033 -21.155 1.00 30.97 S HETATM 563 AS CAS A 130 -33.463 21.716 -19.520 1.00 45.37 AS HETATM 564 CE1 CAS A 130 -32.614 23.110 -18.414 1.00 54.85 C HETATM 565 CE2 CAS A 130 -35.211 22.435 -19.038 1.00 45.28 C HETATM 0 HB3 CAS A 130 -34.424 22.317 -22.581 1.00 26.92 H new HETATM 0 HB2 CAS A 130 -33.389 21.173 -22.349 1.00 26.92 H new HETATM 0 HA CAS A 130 -31.765 22.531 -23.580 1.00 24.21 H new HETATM 0 H CAS A 130 -33.589 24.423 -23.761 1.00 25.31 H new ATOM 566 N TRP A 131 -34.208 21.869 -25.582 1.00 26.82 N ATOM 567 CA TRP A 131 -34.624 21.075 -26.731 1.00 26.02 C ATOM 568 C TRP A 131 -33.549 21.110 -27.847 1.00 27.05 C ATOM 569 O TRP A 131 -33.165 20.119 -28.390 1.00 27.34 O ATOM 570 CB TRP A 131 -35.927 21.606 -27.257 1.00 25.64 C ATOM 571 CG TRP A 131 -36.268 21.054 -28.582 1.00 29.40 C ATOM 572 CD1 TRP A 131 -36.743 19.776 -28.852 1.00 31.00 C ATOM 573 CD2 TRP A 131 -36.117 21.731 -29.876 1.00 27.38 C ATOM 574 NE1 TRP A 131 -36.901 19.654 -30.253 1.00 30.10 N ATOM 575 CE2 TRP A 131 -36.486 20.812 -30.882 1.00 28.56 C ATOM 576 CE3 TRP A 131 -35.694 23.009 -30.256 1.00 28.62 C ATOM 577 CZ2 TRP A 131 -36.467 21.158 -32.246 1.00 32.81 C ATOM 578 CZ3 TRP A 131 -35.663 23.334 -31.646 1.00 30.83 C ATOM 579 CH2 TRP A 131 -36.035 22.398 -32.599 1.00 33.82 C ATOM 0 H TRP A 131 -34.739 22.517 -25.386 1.00 26.82 H new ATOM 0 HA TRP A 131 -34.736 20.154 -26.449 1.00 26.02 H new ATOM 0 HB2 TRP A 131 -36.636 21.395 -26.630 1.00 25.64 H new ATOM 0 HB3 TRP A 131 -35.879 22.573 -27.315 1.00 25.64 H new ATOM 0 HD1 TRP A 131 -36.925 19.116 -28.222 1.00 31.00 H new ATOM 0 HE1 TRP A 131 -37.211 18.959 -30.655 1.00 30.10 H new ATOM 0 HE3 TRP A 131 -35.438 23.634 -29.617 1.00 28.62 H new ATOM 0 HZ2 TRP A 131 -36.744 20.550 -32.893 1.00 32.81 H new ATOM 0 HZ3 TRP A 131 -35.391 24.182 -31.915 1.00 30.83 H new ATOM 0 HH2 TRP A 131 -35.988 22.623 -33.500 1.00 33.82 H new ATOM 580 N TRP A 132 -33.125 22.297 -28.227 1.00 24.57 N ATOM 581 CA TRP A 132 -32.272 22.403 -29.406 1.00 22.76 C ATOM 582 C TRP A 132 -30.930 21.742 -29.065 1.00 24.24 C ATOM 583 O TRP A 132 -30.264 21.109 -29.872 1.00 25.05 O ATOM 584 CB TRP A 132 -32.127 23.865 -29.739 1.00 25.19 C ATOM 585 CG TRP A 132 -31.284 24.058 -31.003 1.00 23.18 C ATOM 586 CD1 TRP A 132 -31.814 23.947 -32.264 1.00 24.80 C ATOM 587 CD2 TRP A 132 -29.878 24.185 -31.165 1.00 24.29 C ATOM 588 NE1 TRP A 132 -30.825 24.114 -33.192 1.00 26.11 N ATOM 589 CE2 TRP A 132 -29.617 24.197 -32.555 1.00 28.71 C ATOM 590 CE3 TRP A 132 -28.793 24.299 -30.290 1.00 24.92 C ATOM 591 CZ2 TRP A 132 -28.319 24.376 -33.091 1.00 28.24 C ATOM 592 CZ3 TRP A 132 -27.491 24.425 -30.858 1.00 24.78 C ATOM 593 CH2 TRP A 132 -27.291 24.476 -32.212 1.00 28.22 C ATOM 0 H TRP A 132 -33.309 23.039 -27.834 1.00 24.57 H new ATOM 0 HA TRP A 132 -32.643 21.955 -30.182 1.00 22.76 H new ATOM 0 HB2 TRP A 132 -33.004 24.260 -29.867 1.00 25.19 H new ATOM 0 HB3 TRP A 132 -31.713 24.330 -28.995 1.00 25.19 H new ATOM 0 HD1 TRP A 132 -32.709 23.783 -32.457 1.00 24.80 H new ATOM 0 HE1 TRP A 132 -30.943 24.160 -34.043 1.00 26.11 H new ATOM 0 HE3 TRP A 132 -28.916 24.293 -29.368 1.00 24.92 H new ATOM 0 HZ2 TRP A 132 -28.177 24.423 -34.009 1.00 28.24 H new ATOM 0 HZ3 TRP A 132 -26.755 24.474 -30.292 1.00 24.78 H new ATOM 0 HH2 TRP A 132 -26.426 24.582 -32.538 1.00 28.22 H new ATOM 594 N ALA A 133 -30.430 21.985 -27.853 1.00 25.60 N ATOM 595 CA ALA A 133 -29.150 21.448 -27.460 1.00 26.40 C ATOM 596 C ALA A 133 -29.157 20.025 -26.983 1.00 27.20 C ATOM 597 O ALA A 133 -28.070 19.426 -26.732 1.00 26.91 O ATOM 598 CB ALA A 133 -28.504 22.381 -26.413 1.00 27.06 C ATOM 0 H ALA A 133 -30.823 22.458 -27.252 1.00 25.60 H new ATOM 0 HA ALA A 133 -28.619 21.416 -28.271 1.00 26.40 H new ATOM 0 HB1 ALA A 133 -27.643 22.022 -26.147 1.00 27.06 H new ATOM 0 HB2 ALA A 133 -28.381 23.263 -26.797 1.00 27.06 H new ATOM 0 HB3 ALA A 133 -29.081 22.445 -25.636 1.00 27.06 H new ATOM 599 N GLY A 134 -30.331 19.432 -26.858 1.00 28.04 N ATOM 600 CA GLY A 134 -30.417 18.045 -26.410 1.00 31.90 C ATOM 601 C GLY A 134 -30.121 17.844 -24.951 1.00 28.52 C ATOM 602 O GLY A 134 -29.487 16.854 -24.528 1.00 36.50 O ATOM 0 H GLY A 134 -31.087 19.807 -27.025 1.00 28.04 H new ATOM 0 HA2 GLY A 134 -31.308 17.711 -26.597 1.00 31.90 H new ATOM 0 HA3 GLY A 134 -29.798 17.509 -26.931 1.00 31.90 H new ATOM 603 N ILE A 135 -30.537 18.815 -24.159 1.00 28.02 N ATOM 604 CA ILE A 135 -30.318 18.778 -22.702 1.00 28.18 C ATOM 605 C ILE A 135 -31.610 18.299 -22.045 1.00 31.90 C ATOM 606 O ILE A 135 -32.653 18.764 -22.375 1.00 30.47 O ATOM 607 CB ILE A 135 -29.957 20.162 -22.126 1.00 29.74 C ATOM 608 CG1 ILE A 135 -28.683 20.732 -22.781 1.00 30.30 C ATOM 609 CG2 ILE A 135 -29.715 19.976 -20.613 1.00 30.71 C ATOM 610 CD1 ILE A 135 -28.465 22.159 -22.485 1.00 28.48 C ATOM 0 H ILE A 135 -30.953 19.515 -24.437 1.00 28.02 H new ATOM 0 HA ILE A 135 -29.574 18.182 -22.521 1.00 28.18 H new ATOM 0 HB ILE A 135 -30.678 20.786 -22.301 1.00 29.74 H new ATOM 0 HG12 ILE A 135 -27.915 20.224 -22.476 1.00 30.30 H new ATOM 0 HG13 ILE A 135 -28.739 20.612 -23.742 1.00 30.30 H new ATOM 0 HG21 ILE A 135 -29.484 20.830 -20.215 1.00 30.71 H new ATOM 0 HG22 ILE A 135 -30.521 19.632 -20.196 1.00 30.71 H new ATOM 0 HG23 ILE A 135 -28.988 19.349 -20.476 1.00 30.71 H new ATOM 0 HD11 ILE A 135 -27.653 22.460 -22.922 1.00 28.48 H new ATOM 0 HD12 ILE A 135 -29.218 22.676 -22.812 1.00 28.48 H new ATOM 0 HD13 ILE A 135 -28.381 22.282 -21.526 1.00 28.48 H new ATOM 611 N LYS A 136 -31.492 17.381 -21.107 1.00 38.41 N ATOM 612 CA LYS A 136 -32.631 16.998 -20.226 1.00 45.25 C ATOM 613 C LYS A 136 -32.496 17.579 -18.817 1.00 42.31 C ATOM 614 O LYS A 136 -31.363 17.822 -18.313 1.00 37.26 O ATOM 615 CB LYS A 136 -32.671 15.482 -20.117 1.00 49.38 C ATOM 616 CG LYS A 136 -33.371 14.822 -21.278 1.00 67.25 C ATOM 617 CD LYS A 136 -32.469 14.679 -22.486 1.00 80.37 C ATOM 618 CE LYS A 136 -33.230 14.453 -23.791 1.00 83.18 C ATOM 619 NZ LYS A 136 -32.314 14.812 -24.921 1.00 76.96 N ATOM 0 H LYS A 136 -30.763 16.953 -20.947 1.00 38.41 H new ATOM 0 HA LYS A 136 -33.443 17.352 -20.620 1.00 45.25 H new ATOM 0 HB2 LYS A 136 -31.764 15.144 -20.059 1.00 49.38 H new ATOM 0 HB3 LYS A 136 -33.119 15.234 -19.293 1.00 49.38 H new ATOM 0 HG2 LYS A 136 -33.687 13.946 -21.007 1.00 67.25 H new ATOM 0 HG3 LYS A 136 -34.153 15.343 -21.520 1.00 67.25 H new ATOM 0 HD2 LYS A 136 -31.925 15.478 -22.571 1.00 80.37 H new ATOM 0 HD3 LYS A 136 -31.862 13.937 -22.341 1.00 80.37 H new ATOM 0 HE2 LYS A 136 -33.514 13.528 -23.864 1.00 83.18 H new ATOM 0 HE3 LYS A 136 -34.032 14.999 -23.816 1.00 83.18 H new ATOM 0 HZ1 LYS A 136 -32.735 14.689 -25.695 1.00 76.96 H new ATOM 0 HZ2 LYS A 136 -32.072 15.665 -24.848 1.00 76.96 H new ATOM 0 HZ3 LYS A 136 -31.590 14.295 -24.892 1.00 76.96 H new ATOM 620 N GLN A 137 -33.622 17.736 -18.126 1.00 45.28 N ATOM 621 CA GLN A 137 -33.605 18.209 -16.715 1.00 57.36 C ATOM 622 C GLN A 137 -33.437 17.123 -15.637 1.00 55.54 C ATOM 623 O GLN A 137 -33.761 15.941 -15.870 1.00 54.25 O ATOM 624 CB GLN A 137 -34.864 19.019 -16.420 1.00 64.41 C ATOM 625 CG GLN A 137 -34.948 19.498 -14.979 1.00 77.03 C ATOM 626 CD GLN A 137 -35.876 20.697 -14.819 1.00 77.61 C ATOM 627 OE1 GLN A 137 -36.797 20.895 -15.611 1.00 78.78 O ATOM 628 NE2 GLN A 137 -35.628 21.503 -13.805 1.00 75.17 N ATOM 0 H GLN A 137 -34.407 17.579 -18.441 1.00 45.28 H new ATOM 0 HA GLN A 137 -32.803 18.752 -16.655 1.00 57.36 H new ATOM 0 HB2 GLN A 137 -34.893 19.787 -17.012 1.00 64.41 H new ATOM 0 HB3 GLN A 137 -35.644 18.478 -16.620 1.00 64.41 H new ATOM 0 HG2 GLN A 137 -35.262 18.772 -14.417 1.00 77.03 H new ATOM 0 HG3 GLN A 137 -34.061 19.735 -14.667 1.00 77.03 H new ATOM 0 HE21 GLN A 137 -34.976 21.334 -13.271 1.00 75.17 H new ATOM 0 HE22 GLN A 137 -36.119 22.198 -13.678 1.00 75.17 H new ATOM 629 N MET A 154 -21.326 25.280 -4.337 1.00 82.70 N ATOM 630 CA MET A 154 -20.031 25.930 -4.498 1.00 83.87 C ATOM 631 C MET A 154 -20.110 27.411 -4.141 1.00 85.51 C ATOM 632 O MET A 154 -19.093 28.047 -3.864 1.00 89.29 O ATOM 633 CB MET A 154 -19.520 25.761 -5.930 1.00 84.10 C ATOM 634 CG MET A 154 -18.175 25.060 -6.030 1.00 76.99 C ATOM 635 SD MET A 154 -18.290 23.286 -5.729 1.00 84.72 S ATOM 636 CE MET A 154 -16.581 22.795 -5.937 1.00 65.54 C ATOM 0 HA MET A 154 -19.408 25.504 -3.889 1.00 83.87 H new ATOM 0 HB2 MET A 154 -20.175 25.258 -6.440 1.00 84.10 H new ATOM 0 HB3 MET A 154 -19.450 26.636 -6.343 1.00 84.10 H new ATOM 0 HG2 MET A 154 -17.801 25.211 -6.912 1.00 76.99 H new ATOM 0 HG3 MET A 154 -17.561 25.454 -5.390 1.00 76.99 H new ATOM 0 HE1 MET A 154 -16.507 21.832 -5.846 1.00 65.54 H new ATOM 0 HE2 MET A 154 -16.273 23.060 -6.818 1.00 65.54 H new ATOM 0 HE3 MET A 154 -16.036 23.226 -5.261 1.00 65.54 H new ATOM 637 N ASN A 155 -21.323 27.953 -4.150 1.00 87.05 N ATOM 638 CA ASN A 155 -21.536 29.359 -3.828 1.00 87.61 C ATOM 639 C ASN A 155 -20.989 29.724 -2.453 1.00 86.33 C ATOM 640 O ASN A 155 -21.041 30.883 -2.041 1.00 72.40 O ATOM 641 CB ASN A 155 -23.024 29.708 -3.912 1.00 84.63 C ATOM 0 H ASN A 155 -22.041 27.520 -4.341 1.00 87.05 H new ATOM 0 HA ASN A 155 -21.047 29.879 -4.484 1.00 87.61 H new ATOM 642 N LYS A 156 -20.464 28.728 -1.747 1.00 88.32 N ATOM 643 CA LYS A 156 -19.906 28.942 -0.417 1.00 79.03 C ATOM 644 C LYS A 156 -18.518 29.569 -0.496 1.00 76.43 C ATOM 645 O LYS A 156 -18.279 30.643 0.056 1.00 64.70 O ATOM 646 CB LYS A 156 -19.844 27.624 0.357 1.00 70.70 C ATOM 0 H LYS A 156 -20.421 27.915 -2.023 1.00 88.32 H new ATOM 0 HA LYS A 156 -20.490 29.556 0.054 1.00 79.03 H new ATOM 647 N GLU A 157 -17.606 28.891 -1.185 1.00 71.22 N ATOM 648 CA GLU A 157 -16.241 29.380 -1.337 1.00 76.49 C ATOM 649 C GLU A 157 -16.152 30.437 -2.432 1.00 62.72 C ATOM 650 O GLU A 157 -15.331 31.352 -2.360 1.00 55.22 O ATOM 651 CB GLU A 157 -15.288 28.222 -1.645 1.00 87.86 C ATOM 652 CG GLU A 157 -13.917 28.660 -2.134 1.00102.52 C ATOM 653 CD GLU A 157 -12.928 27.513 -2.200 1.00110.35 C ATOM 654 OE1 GLU A 157 -13.326 26.407 -2.622 1.00113.41 O ATOM 655 OE2 GLU A 157 -11.753 27.718 -1.831 1.00104.88 O ATOM 0 H GLU A 157 -17.760 28.140 -1.575 1.00 71.22 H new ATOM 0 HA GLU A 157 -15.978 29.790 -0.498 1.00 76.49 H new ATOM 0 HB2 GLU A 157 -15.179 27.684 -0.845 1.00 87.86 H new ATOM 0 HB3 GLU A 157 -15.694 27.652 -2.317 1.00 87.86 H new ATOM 0 HG2 GLU A 157 -14.003 29.059 -3.014 1.00102.52 H new ATOM 0 HG3 GLU A 157 -13.571 29.347 -1.543 1.00102.52 H new ATOM 656 N LEU A 158 -17.001 30.305 -3.446 1.00 63.58 N ATOM 657 CA LEU A 158 -17.019 31.250 -4.560 1.00 57.31 C ATOM 658 C LEU A 158 -17.279 32.598 -4.026 1.00 52.41 C ATOM 659 O LEU A 158 -16.538 33.563 -4.333 1.00 43.40 O ATOM 660 CB LEU A 158 -18.066 30.859 -5.606 1.00 58.49 C ATOM 661 CG LEU A 158 -17.950 31.602 -6.925 1.00 55.84 C ATOM 662 CD1 LEU A 158 -16.551 31.482 -7.576 1.00 52.06 C ATOM 663 CD2 LEU A 158 -19.020 31.026 -7.817 1.00 56.96 C ATOM 0 H LEU A 158 -17.579 29.671 -3.509 1.00 63.58 H new ATOM 0 HA LEU A 158 -16.159 31.237 -5.008 1.00 57.31 H new ATOM 0 HB2 LEU A 158 -17.995 29.907 -5.777 1.00 58.49 H new ATOM 0 HB3 LEU A 158 -18.949 31.016 -5.237 1.00 58.49 H new ATOM 0 HG LEU A 158 -18.068 32.554 -6.781 1.00 55.84 H new ATOM 0 HD11 LEU A 158 -16.539 31.975 -8.411 1.00 52.06 H new ATOM 0 HD12 LEU A 158 -15.882 31.847 -6.976 1.00 52.06 H new ATOM 0 HD13 LEU A 158 -16.354 30.548 -7.749 1.00 52.06 H new ATOM 0 HD21 LEU A 158 -18.993 31.466 -8.681 1.00 56.96 H new ATOM 0 HD22 LEU A 158 -18.867 30.075 -7.934 1.00 56.96 H new ATOM 0 HD23 LEU A 158 -19.890 31.165 -7.411 1.00 56.96 H new ATOM 664 N LYS A 159 -18.299 32.710 -3.174 1.00 50.17 N ATOM 665 CA LYS A 159 -18.498 33.999 -2.519 1.00 57.23 C ATOM 666 C LYS A 159 -17.329 34.432 -1.598 1.00 44.66 C ATOM 667 O LYS A 159 -17.014 35.636 -1.543 1.00 46.16 O ATOM 668 CB LYS A 159 -19.842 34.083 -1.790 1.00 66.03 C ATOM 669 CG LYS A 159 -20.857 34.949 -2.544 1.00 74.07 C ATOM 670 CD LYS A 159 -21.626 35.886 -1.598 1.00 87.21 C ATOM 671 CE LYS A 159 -23.050 36.162 -2.072 1.00 80.83 C ATOM 672 NZ LYS A 159 -23.805 34.899 -2.288 1.00 72.44 N ATOM 0 H LYS A 159 -18.858 32.089 -2.970 1.00 50.17 H new ATOM 0 HA LYS A 159 -18.513 34.641 -3.246 1.00 57.23 H new ATOM 0 HB2 LYS A 159 -20.203 33.190 -1.676 1.00 66.03 H new ATOM 0 HB3 LYS A 159 -19.704 34.448 -0.902 1.00 66.03 H new ATOM 0 HG2 LYS A 159 -20.396 35.475 -3.216 1.00 74.07 H new ATOM 0 HG3 LYS A 159 -21.485 34.377 -3.013 1.00 74.07 H new ATOM 0 HD2 LYS A 159 -21.655 35.493 -0.712 1.00 87.21 H new ATOM 0 HD3 LYS A 159 -21.147 36.726 -1.520 1.00 87.21 H new ATOM 0 HE2 LYS A 159 -23.511 36.708 -1.416 1.00 80.83 H new ATOM 0 HE3 LYS A 159 -23.025 36.671 -2.897 1.00 80.83 H new ATOM 0 HZ1 LYS A 159 -24.677 35.074 -2.306 1.00 72.44 H new ATOM 0 HZ2 LYS A 159 -23.560 34.535 -3.062 1.00 72.44 H new ATOM 0 HZ3 LYS A 159 -23.630 34.331 -1.625 1.00 72.44 H new ATOM 673 N LYS A 160 -16.719 33.466 -0.906 1.00 48.05 N ATOM 674 CA LYS A 160 -15.437 33.683 -0.133 1.00 49.34 C ATOM 675 C LYS A 160 -14.340 34.321 -1.053 1.00 37.24 C ATOM 676 O LYS A 160 -13.903 35.434 -0.811 1.00 41.70 O ATOM 677 CB LYS A 160 -14.934 32.347 0.451 1.00 52.78 C ATOM 678 CG LYS A 160 -13.913 32.450 1.588 1.00 66.88 C ATOM 679 CD LYS A 160 -13.010 31.209 1.674 1.00 76.11 C ATOM 680 CE LYS A 160 -13.778 29.884 1.765 1.00 78.44 C ATOM 681 NZ LYS A 160 -13.149 28.734 1.039 1.00 84.94 N ATOM 0 H LYS A 160 -17.019 32.661 -0.858 1.00 48.05 H new ATOM 0 HA LYS A 160 -15.618 34.295 0.597 1.00 49.34 H new ATOM 0 HB2 LYS A 160 -15.700 31.847 0.773 1.00 52.78 H new ATOM 0 HB3 LYS A 160 -14.539 31.829 -0.268 1.00 52.78 H new ATOM 0 HG2 LYS A 160 -13.364 33.239 1.457 1.00 66.88 H new ATOM 0 HG3 LYS A 160 -14.380 32.567 2.430 1.00 66.88 H new ATOM 0 HD2 LYS A 160 -12.433 31.185 0.894 1.00 76.11 H new ATOM 0 HD3 LYS A 160 -12.434 31.292 2.450 1.00 76.11 H new ATOM 0 HE2 LYS A 160 -13.873 29.645 2.700 1.00 78.44 H new ATOM 0 HE3 LYS A 160 -14.672 30.020 1.414 1.00 78.44 H new ATOM 0 HZ1 LYS A 160 -13.785 28.221 0.687 1.00 84.94 H new ATOM 0 HZ2 LYS A 160 -12.625 29.044 0.390 1.00 84.94 H new ATOM 0 HZ3 LYS A 160 -12.663 28.253 1.609 1.00 84.94 H new ATOM 682 N ILE A 161 -14.053 33.647 -2.159 1.00 42.40 N ATOM 683 CA ILE A 161 -13.016 34.096 -3.152 1.00 37.06 C ATOM 684 C ILE A 161 -13.423 35.439 -3.728 1.00 36.25 C ATOM 685 O ILE A 161 -12.609 36.378 -3.817 1.00 35.89 O ATOM 686 CB ILE A 161 -12.711 33.030 -4.252 1.00 41.41 C ATOM 687 CG1 ILE A 161 -12.250 31.696 -3.672 1.00 39.72 C ATOM 688 CG2 ILE A 161 -11.657 33.543 -5.224 1.00 36.95 C ATOM 689 CD1 ILE A 161 -12.170 30.569 -4.678 1.00 47.22 C ATOM 0 H ILE A 161 -14.443 32.912 -2.376 1.00 42.40 H new ATOM 0 HA ILE A 161 -12.173 34.202 -2.683 1.00 37.06 H new ATOM 0 HB ILE A 161 -13.547 32.878 -4.719 1.00 41.41 H new ATOM 0 HG12 ILE A 161 -11.376 31.816 -3.268 1.00 39.72 H new ATOM 0 HG13 ILE A 161 -12.858 31.438 -2.962 1.00 39.72 H new ATOM 0 HG21 ILE A 161 -11.482 32.868 -5.898 1.00 36.95 H new ATOM 0 HG22 ILE A 161 -11.978 34.352 -5.653 1.00 36.95 H new ATOM 0 HG23 ILE A 161 -10.838 33.737 -4.741 1.00 36.95 H new ATOM 0 HD11 ILE A 161 -11.871 29.760 -4.234 1.00 47.22 H new ATOM 0 HD12 ILE A 161 -13.046 30.420 -5.067 1.00 47.22 H new ATOM 0 HD13 ILE A 161 -11.541 30.804 -5.378 1.00 47.22 H new ATOM 690 N ILE A 162 -14.716 35.636 -4.057 1.00 39.07 N ATOM 691 CA ILE A 162 -15.104 36.966 -4.585 1.00 34.59 C ATOM 692 C ILE A 162 -14.771 38.067 -3.609 1.00 39.27 C ATOM 693 O ILE A 162 -14.317 39.175 -4.028 1.00 40.10 O ATOM 694 CB ILE A 162 -16.638 37.045 -5.010 1.00 39.82 C ATOM 695 CG1 ILE A 162 -16.881 36.144 -6.204 1.00 40.62 C ATOM 696 CG2 ILE A 162 -17.069 38.488 -5.343 1.00 40.15 C ATOM 697 CD1 ILE A 162 -18.303 35.939 -6.587 1.00 38.48 C ATOM 0 H ILE A 162 -15.347 35.056 -3.989 1.00 39.07 H new ATOM 0 HA ILE A 162 -14.579 37.095 -5.390 1.00 34.59 H new ATOM 0 HB ILE A 162 -17.172 36.747 -4.257 1.00 39.82 H new ATOM 0 HG12 ILE A 162 -16.409 36.513 -6.967 1.00 40.62 H new ATOM 0 HG13 ILE A 162 -16.486 35.278 -6.019 1.00 40.62 H new ATOM 0 HG21 ILE A 162 -18.005 38.496 -5.596 1.00 40.15 H new ATOM 0 HG22 ILE A 162 -16.940 39.052 -4.565 1.00 40.15 H new ATOM 0 HG23 ILE A 162 -16.533 38.825 -6.078 1.00 40.15 H new ATOM 0 HD11 ILE A 162 -18.349 35.351 -7.357 1.00 38.48 H new ATOM 0 HD12 ILE A 162 -18.784 35.539 -5.846 1.00 38.48 H new ATOM 0 HD13 ILE A 162 -18.705 36.793 -6.809 1.00 38.48 H new ATOM 698 N GLY A 163 -15.110 37.827 -2.312 1.00 42.94 N ATOM 699 CA GLY A 163 -14.812 38.846 -1.247 1.00 45.73 C ATOM 700 C GLY A 163 -13.333 39.194 -1.141 1.00 41.23 C ATOM 701 O GLY A 163 -12.955 40.369 -1.071 1.00 44.84 O ATOM 0 H GLY A 163 -15.497 37.112 -2.033 1.00 42.94 H new ATOM 0 HA2 GLY A 163 -15.315 39.654 -1.432 1.00 45.73 H new ATOM 0 HA3 GLY A 163 -15.121 38.509 -0.391 1.00 45.73 H new ATOM 702 N GLN A 164 -12.513 38.138 -1.157 1.00 45.98 N ATOM 703 CA GLN A 164 -11.036 38.232 -1.173 1.00 46.93 C ATOM 704 C GLN A 164 -10.466 39.094 -2.309 1.00 50.63 C ATOM 705 O GLN A 164 -9.585 39.897 -2.064 1.00 47.17 O ATOM 706 CB GLN A 164 -10.448 36.807 -1.189 1.00 45.62 C ATOM 707 CG GLN A 164 -10.717 36.103 0.135 1.00 52.33 C ATOM 708 CD GLN A 164 -10.371 34.631 0.141 1.00 52.80 C ATOM 709 OE1 GLN A 164 -10.052 34.041 -0.890 1.00 61.96 O ATOM 710 NE2 GLN A 164 -10.455 34.021 1.315 1.00 64.75 N ATOM 0 H GLN A 164 -12.801 37.328 -1.159 1.00 45.98 H new ATOM 0 HA GLN A 164 -10.768 38.698 -0.366 1.00 46.93 H new ATOM 0 HB2 GLN A 164 -10.838 36.298 -1.917 1.00 45.62 H new ATOM 0 HB3 GLN A 164 -9.493 36.847 -1.352 1.00 45.62 H new ATOM 0 HG2 GLN A 164 -10.210 36.546 0.833 1.00 52.33 H new ATOM 0 HG3 GLN A 164 -11.656 36.204 0.358 1.00 52.33 H new ATOM 0 HE21 GLN A 164 -10.681 34.466 2.015 1.00 64.75 H new ATOM 0 HE22 GLN A 164 -10.283 33.181 1.376 1.00 64.75 H new ATOM 711 N VAL A 165 -10.994 38.994 -3.549 1.00 48.31 N ATOM 712 CA VAL A 165 -10.424 39.778 -4.680 1.00 40.03 C ATOM 713 C VAL A 165 -11.225 40.995 -4.963 1.00 39.18 C ATOM 714 O VAL A 165 -10.873 41.774 -5.876 1.00 47.10 O ATOM 715 CB VAL A 165 -10.316 38.904 -5.972 1.00 38.86 C ATOM 716 CG1 VAL A 165 -9.469 37.712 -5.667 1.00 40.53 C ATOM 717 CG2 VAL A 165 -11.700 38.405 -6.474 1.00 40.94 C ATOM 0 H VAL A 165 -11.663 38.494 -3.755 1.00 48.31 H new ATOM 0 HA VAL A 165 -9.534 40.055 -4.411 1.00 40.03 H new ATOM 0 HB VAL A 165 -9.929 39.456 -6.670 1.00 38.86 H new ATOM 0 HG11 VAL A 165 -9.392 37.158 -6.460 1.00 40.53 H new ATOM 0 HG12 VAL A 165 -8.586 38.004 -5.390 1.00 40.53 H new ATOM 0 HG13 VAL A 165 -9.878 37.198 -4.953 1.00 40.53 H new ATOM 0 HG21 VAL A 165 -11.580 37.870 -7.274 1.00 40.94 H new ATOM 0 HG22 VAL A 165 -12.119 37.867 -5.785 1.00 40.94 H new ATOM 0 HG23 VAL A 165 -12.265 39.167 -6.677 1.00 40.94 H new ATOM 718 N ARG A 166 -12.323 41.195 -4.231 1.00 45.02 N ATOM 719 CA ARG A 166 -13.333 42.204 -4.677 1.00 46.41 C ATOM 720 C ARG A 166 -12.753 43.577 -4.766 1.00 50.44 C ATOM 721 O ARG A 166 -13.103 44.371 -5.657 1.00 47.46 O ATOM 722 CB ARG A 166 -14.621 42.220 -3.814 1.00 54.37 C ATOM 723 CG ARG A 166 -15.622 43.323 -4.215 1.00 47.58 C ATOM 724 CD ARG A 166 -16.396 42.953 -5.465 1.00 44.49 C ATOM 725 NE ARG A 166 -17.247 44.005 -5.983 1.00 38.95 N ATOM 726 CZ ARG A 166 -16.871 45.021 -6.745 1.00 44.94 C ATOM 727 NH1 ARG A 166 -15.604 45.206 -7.097 1.00 53.80 N ATOM 728 NH2 ARG A 166 -17.761 45.881 -7.168 1.00 41.83 N ATOM 0 H ARG A 166 -12.511 40.783 -3.500 1.00 45.02 H new ATOM 0 HA ARG A 166 -13.594 41.918 -5.567 1.00 46.41 H new ATOM 0 HB2 ARG A 166 -15.058 41.357 -3.883 1.00 54.37 H new ATOM 0 HB3 ARG A 166 -14.376 42.340 -2.883 1.00 54.37 H new ATOM 0 HG2 ARG A 166 -16.242 43.479 -3.485 1.00 47.58 H new ATOM 0 HG3 ARG A 166 -15.145 44.154 -4.364 1.00 47.58 H new ATOM 0 HD2 ARG A 166 -15.766 42.693 -6.156 1.00 44.49 H new ATOM 0 HD3 ARG A 166 -16.944 42.176 -5.274 1.00 44.49 H new ATOM 0 HE ARG A 166 -18.080 43.966 -5.775 1.00 38.95 H new ATOM 0 HH11 ARG A 166 -14.999 44.657 -6.829 1.00 53.80 H new ATOM 0 HH12 ARG A 166 -15.389 45.875 -7.593 1.00 53.80 H new ATOM 0 HH21 ARG A 166 -18.588 45.786 -6.951 1.00 41.83 H new ATOM 0 HH22 ARG A 166 -17.519 46.542 -7.663 1.00 41.83 H new ATOM 729 N ASP A 167 -11.862 43.853 -3.819 1.00 59.72 N ATOM 730 CA ASP A 167 -11.151 45.124 -3.722 1.00 73.07 C ATOM 731 C ASP A 167 -10.319 45.400 -4.968 1.00 68.44 C ATOM 732 O ASP A 167 -10.230 46.548 -5.432 1.00 71.55 O ATOM 733 CB ASP A 167 -10.191 45.036 -2.530 1.00 81.13 C ATOM 734 CG ASP A 167 -9.055 44.027 -2.776 1.00 90.24 C ATOM 735 OD1 ASP A 167 -9.283 42.781 -2.678 1.00 77.33 O ATOM 736 OD2 ASP A 167 -7.940 44.500 -3.117 1.00 98.21 O ATOM 0 H ASP A 167 -11.649 43.294 -3.201 1.00 59.72 H new ATOM 0 HA ASP A 167 -11.803 45.835 -3.620 1.00 73.07 H new ATOM 0 HB2 ASP A 167 -9.812 45.912 -2.356 1.00 81.13 H new ATOM 0 HB3 ASP A 167 -10.685 44.778 -1.736 1.00 81.13 H new ATOM 737 N GLN A 168 -9.733 44.317 -5.506 1.00 69.10 N ATOM 738 CA GLN A 168 -8.767 44.368 -6.606 1.00 63.75 C ATOM 739 C GLN A 168 -9.441 44.737 -7.914 1.00 63.10 C ATOM 740 O GLN A 168 -8.780 45.117 -8.858 1.00 65.08 O ATOM 741 CB GLN A 168 -8.046 43.023 -6.768 1.00 67.38 C ATOM 742 CG GLN A 168 -7.556 42.372 -5.477 1.00 64.21 C ATOM 743 CD GLN A 168 -6.591 41.226 -5.730 1.00 80.30 C ATOM 744 OE1 GLN A 168 -6.076 41.061 -6.864 1.00 90.02 O ATOM 745 NE2 GLN A 168 -6.317 40.420 -4.681 1.00 67.52 N ATOM 0 H GLN A 168 -9.893 43.518 -5.232 1.00 69.10 H new ATOM 0 HA GLN A 168 -8.117 45.053 -6.384 1.00 63.75 H new ATOM 0 HB2 GLN A 168 -8.646 42.405 -7.214 1.00 67.38 H new ATOM 0 HB3 GLN A 168 -7.284 43.152 -7.355 1.00 67.38 H new ATOM 0 HG2 GLN A 168 -7.121 43.041 -4.926 1.00 64.21 H new ATOM 0 HG3 GLN A 168 -8.318 42.044 -4.975 1.00 64.21 H new ATOM 0 HE21 GLN A 168 -6.689 40.564 -3.919 1.00 67.52 H new ATOM 0 HE22 GLN A 168 -5.770 39.763 -4.775 1.00 67.52 H new ATOM 746 N ALA A 169 -10.763 44.651 -7.983 1.00 54.63 N ATOM 747 CA ALA A 169 -11.457 45.008 -9.204 1.00 52.98 C ATOM 748 C ALA A 169 -12.527 46.010 -8.924 1.00 54.86 C ATOM 749 O ALA A 169 -13.120 45.968 -7.859 1.00 54.04 O ATOM 750 CB ALA A 169 -12.073 43.759 -9.799 1.00 52.35 C ATOM 0 H ALA A 169 -11.270 44.390 -7.339 1.00 54.63 H new ATOM 0 HA ALA A 169 -10.826 45.399 -9.828 1.00 52.98 H new ATOM 0 HB1 ALA A 169 -12.541 43.987 -10.618 1.00 52.35 H new ATOM 0 HB2 ALA A 169 -11.374 43.115 -9.995 1.00 52.35 H new ATOM 0 HB3 ALA A 169 -12.699 43.374 -9.166 1.00 52.35 H new ATOM 751 N GLU A 170 -12.739 46.901 -9.892 1.00 45.99 N ATOM 752 CA GLU A 170 -13.790 47.870 -9.912 1.00 53.69 C ATOM 753 C GLU A 170 -15.132 47.180 -9.936 1.00 59.65 C ATOM 754 O GLU A 170 -15.862 47.201 -8.934 1.00 59.98 O ATOM 755 CB GLU A 170 -13.608 48.819 -11.128 1.00 56.48 C ATOM 756 CG GLU A 170 -13.558 48.229 -12.565 1.00 69.66 C ATOM 757 CD GLU A 170 -12.829 46.839 -12.778 1.00 72.94 C ATOM 758 OE1 GLU A 170 -11.599 46.722 -12.537 1.00 73.68 O ATOM 759 OE2 GLU A 170 -13.486 45.832 -13.221 1.00 46.37 O ATOM 0 H GLU A 170 -12.235 46.946 -10.588 1.00 45.99 H new ATOM 0 HA GLU A 170 -13.752 48.408 -9.106 1.00 53.69 H new ATOM 0 HB2 GLU A 170 -14.333 49.463 -11.104 1.00 56.48 H new ATOM 0 HB3 GLU A 170 -12.785 49.313 -10.989 1.00 56.48 H new ATOM 0 HG2 GLU A 170 -14.471 48.136 -12.879 1.00 69.66 H new ATOM 0 HG3 GLU A 170 -13.126 48.881 -13.138 1.00 69.66 H new ATOM 760 N HIS A 171 -15.392 46.464 -11.032 1.00 49.73 N ATOM 761 CA HIS A 171 -16.728 45.947 -11.371 1.00 43.97 C ATOM 762 C HIS A 171 -16.898 44.571 -10.760 1.00 41.02 C ATOM 763 O HIS A 171 -15.953 43.751 -10.724 1.00 37.63 O ATOM 764 CB HIS A 171 -16.895 45.844 -12.874 1.00 47.42 C ATOM 765 CG HIS A 171 -16.732 47.138 -13.603 1.00 58.70 C ATOM 766 ND1 HIS A 171 -17.527 48.241 -13.361 1.00 63.00 N ATOM 767 CD2 HIS A 171 -15.863 47.504 -14.576 1.00 61.21 C ATOM 768 CE1 HIS A 171 -17.151 49.227 -14.151 1.00 69.57 C ATOM 769 NE2 HIS A 171 -16.148 48.803 -14.903 1.00 68.00 N ATOM 0 H HIS A 171 -14.789 46.260 -11.611 1.00 49.73 H new ATOM 0 HA HIS A 171 -17.397 46.557 -11.022 1.00 43.97 H new ATOM 0 HB2 HIS A 171 -16.248 45.208 -13.218 1.00 47.42 H new ATOM 0 HB3 HIS A 171 -17.775 45.485 -13.067 1.00 47.42 H new ATOM 0 HD2 HIS A 171 -15.198 46.973 -14.951 1.00 61.21 H new ATOM 0 HE1 HIS A 171 -17.527 50.077 -14.176 1.00 69.57 H new ATOM 0 HE2 HIS A 171 -15.741 49.268 -15.501 1.00 68.00 H new ATOM 770 N LEU A 172 -18.093 44.286 -10.275 1.00 30.39 N ATOM 771 CA LEU A 172 -18.330 42.956 -9.716 1.00 33.62 C ATOM 772 C LEU A 172 -18.052 41.843 -10.741 1.00 30.51 C ATOM 773 O LEU A 172 -17.503 40.815 -10.421 1.00 30.06 O ATOM 774 CB LEU A 172 -19.767 42.851 -9.290 1.00 36.40 C ATOM 775 CG LEU A 172 -20.158 41.508 -8.665 1.00 39.83 C ATOM 776 CD1 LEU A 172 -19.411 41.080 -7.445 1.00 41.62 C ATOM 777 CD2 LEU A 172 -21.676 41.518 -8.407 1.00 41.62 C ATOM 0 H LEU A 172 -18.764 44.824 -10.256 1.00 30.39 H new ATOM 0 HA LEU A 172 -17.727 42.842 -8.965 1.00 33.62 H new ATOM 0 HB2 LEU A 172 -19.954 43.557 -8.651 1.00 36.40 H new ATOM 0 HB3 LEU A 172 -20.332 43.010 -10.062 1.00 36.40 H new ATOM 0 HG LEU A 172 -19.898 40.836 -9.315 1.00 39.83 H new ATOM 0 HD11 LEU A 172 -19.746 40.221 -7.145 1.00 41.62 H new ATOM 0 HD12 LEU A 172 -18.467 41.003 -7.654 1.00 41.62 H new ATOM 0 HD13 LEU A 172 -19.534 41.738 -6.743 1.00 41.62 H new ATOM 0 HD21 LEU A 172 -21.943 40.674 -8.011 1.00 41.62 H new ATOM 0 HD22 LEU A 172 -21.897 42.243 -7.802 1.00 41.62 H new ATOM 0 HD23 LEU A 172 -22.146 41.643 -9.246 1.00 41.62 H new ATOM 778 N LYS A 173 -18.375 42.101 -11.980 1.00 29.62 N ATOM 779 CA LYS A 173 -18.233 41.013 -13.010 1.00 30.31 C ATOM 780 C LYS A 173 -16.811 40.592 -13.190 1.00 28.68 C ATOM 781 O LYS A 173 -16.516 39.422 -13.293 1.00 28.85 O ATOM 782 CB LYS A 173 -18.881 41.401 -14.315 1.00 26.59 C ATOM 783 CG LYS A 173 -18.340 42.554 -15.098 1.00 36.17 C ATOM 784 CD LYS A 173 -19.340 42.670 -16.228 1.00 42.66 C ATOM 785 CE LYS A 173 -18.793 43.211 -17.507 1.00 51.46 C ATOM 786 NZ LYS A 173 -18.194 44.527 -17.168 1.00 68.41 N ATOM 0 H LYS A 173 -18.669 42.855 -12.271 1.00 29.62 H new ATOM 0 HA LYS A 173 -18.708 40.237 -12.675 1.00 30.31 H new ATOM 0 HB2 LYS A 173 -18.858 40.622 -14.893 1.00 26.59 H new ATOM 0 HB3 LYS A 173 -19.814 41.589 -14.130 1.00 26.59 H new ATOM 0 HG2 LYS A 173 -18.298 43.365 -14.567 1.00 36.17 H new ATOM 0 HG3 LYS A 173 -17.443 42.381 -15.424 1.00 36.17 H new ATOM 0 HD2 LYS A 173 -19.716 41.793 -16.399 1.00 42.66 H new ATOM 0 HD3 LYS A 173 -20.070 43.240 -15.938 1.00 42.66 H new ATOM 0 HE2 LYS A 173 -18.128 42.612 -17.882 1.00 51.46 H new ATOM 0 HE3 LYS A 173 -19.493 43.308 -18.171 1.00 51.46 H new ATOM 0 HZ1 LYS A 173 -18.062 44.994 -17.914 1.00 68.41 H new ATOM 0 HZ2 LYS A 173 -18.745 44.975 -16.631 1.00 68.41 H new ATOM 0 HZ3 LYS A 173 -17.416 44.402 -16.755 1.00 68.41 H new ATOM 787 N THR A 174 -15.902 41.550 -13.138 1.00 29.40 N ATOM 788 CA THR A 174 -14.501 41.273 -13.117 1.00 27.71 C ATOM 789 C THR A 174 -14.056 40.454 -11.894 1.00 29.32 C ATOM 790 O THR A 174 -13.430 39.441 -12.052 1.00 26.38 O ATOM 791 CB THR A 174 -13.710 42.618 -13.189 1.00 29.19 C ATOM 792 OG1 THR A 174 -14.101 43.295 -14.373 1.00 35.27 O ATOM 793 CG2 THR A 174 -12.250 42.352 -13.200 1.00 31.96 C ATOM 0 H THR A 174 -16.094 42.388 -13.114 1.00 29.40 H new ATOM 0 HA THR A 174 -14.306 40.722 -13.891 1.00 27.71 H new ATOM 0 HB THR A 174 -13.907 43.167 -12.414 1.00 29.19 H new ATOM 0 HG1 THR A 174 -14.003 44.123 -14.268 1.00 35.27 H new ATOM 0 HG21 THR A 174 -11.768 43.193 -13.245 1.00 31.96 H new ATOM 0 HG22 THR A 174 -12.001 41.880 -12.390 1.00 31.96 H new ATOM 0 HG23 THR A 174 -12.026 41.810 -13.972 1.00 31.96 H new ATOM 794 N ALA A 175 -14.479 40.792 -10.678 1.00 26.14 N ATOM 795 CA ALA A 175 -14.175 39.983 -9.508 1.00 26.28 C ATOM 796 C ALA A 175 -14.724 38.594 -9.600 1.00 24.54 C ATOM 797 O ALA A 175 -14.104 37.675 -9.119 1.00 28.24 O ATOM 798 CB ALA A 175 -14.680 40.698 -8.245 1.00 32.45 C ATOM 0 H ALA A 175 -14.948 41.494 -10.512 1.00 26.14 H new ATOM 0 HA ALA A 175 -13.211 39.884 -9.461 1.00 26.28 H new ATOM 0 HB1 ALA A 175 -14.477 40.159 -7.465 1.00 32.45 H new ATOM 0 HB2 ALA A 175 -14.243 41.560 -8.164 1.00 32.45 H new ATOM 0 HB3 ALA A 175 -15.639 40.827 -8.308 1.00 32.45 H new ATOM 799 N VAL A 176 -15.910 38.423 -10.193 1.00 25.29 N ATOM 800 CA VAL A 176 -16.540 37.078 -10.270 1.00 26.53 C ATOM 801 C VAL A 176 -15.598 36.198 -11.170 1.00 24.80 C ATOM 802 O VAL A 176 -15.293 35.040 -10.855 1.00 26.17 O ATOM 803 CB VAL A 176 -17.966 37.126 -10.836 1.00 27.14 C ATOM 804 CG1 VAL A 176 -18.425 35.760 -11.373 1.00 27.47 C ATOM 805 CG2 VAL A 176 -18.951 37.772 -9.852 1.00 33.41 C ATOM 0 H VAL A 176 -16.367 39.056 -10.554 1.00 25.29 H new ATOM 0 HA VAL A 176 -16.634 36.702 -9.381 1.00 26.53 H new ATOM 0 HB VAL A 176 -17.953 37.710 -11.610 1.00 27.14 H new ATOM 0 HG11 VAL A 176 -19.328 35.835 -11.720 1.00 27.47 H new ATOM 0 HG12 VAL A 176 -17.829 35.474 -12.083 1.00 27.47 H new ATOM 0 HG13 VAL A 176 -18.408 35.108 -10.655 1.00 27.47 H new ATOM 0 HG21 VAL A 176 -19.838 37.784 -10.243 1.00 33.41 H new ATOM 0 HG22 VAL A 176 -18.969 37.260 -9.028 1.00 33.41 H new ATOM 0 HG23 VAL A 176 -18.669 38.680 -9.661 1.00 33.41 H new ATOM 806 N GLN A 177 -15.144 36.761 -12.287 1.00 29.00 N ATOM 807 CA GLN A 177 -14.331 35.932 -13.228 1.00 23.77 C ATOM 808 C GLN A 177 -12.974 35.653 -12.649 1.00 21.69 C ATOM 809 O GLN A 177 -12.476 34.584 -12.852 1.00 24.36 O ATOM 810 CB GLN A 177 -14.276 36.538 -14.629 1.00 25.72 C ATOM 811 CG GLN A 177 -15.633 36.876 -15.277 1.00 25.16 C ATOM 812 CD GLN A 177 -16.524 35.666 -15.384 1.00 24.54 C ATOM 813 OE1 GLN A 177 -17.787 35.786 -15.548 1.00 30.29 O ATOM 814 NE2 GLN A 177 -15.954 34.529 -15.286 1.00 24.82 N ATOM 0 H GLN A 177 -15.277 37.577 -12.525 1.00 29.00 H new ATOM 0 HA GLN A 177 -14.774 35.076 -13.338 1.00 23.77 H new ATOM 0 HB2 GLN A 177 -13.746 37.350 -14.590 1.00 25.72 H new ATOM 0 HB3 GLN A 177 -13.806 35.920 -15.210 1.00 25.72 H new ATOM 0 HG2 GLN A 177 -16.079 37.560 -14.753 1.00 25.16 H new ATOM 0 HG3 GLN A 177 -15.485 37.247 -16.161 1.00 25.16 H new ATOM 0 HE21 GLN A 177 -15.102 34.483 -15.176 1.00 24.82 H new ATOM 0 HE22 GLN A 177 -16.421 33.808 -15.330 1.00 24.82 H new ATOM 815 N MET A 178 -12.423 36.608 -11.865 1.00 22.04 N ATOM 816 CA MET A 178 -11.162 36.276 -11.140 1.00 21.67 C ATOM 817 C MET A 178 -11.369 35.175 -10.170 1.00 20.99 C ATOM 818 O MET A 178 -10.545 34.304 -10.033 1.00 23.29 O ATOM 819 CB MET A 178 -10.756 37.493 -10.329 1.00 25.70 C ATOM 820 CG MET A 178 -10.160 38.606 -11.224 1.00 27.15 C ATOM 821 SD MET A 178 -9.955 40.264 -10.353 1.00 34.80 S ATOM 822 CE MET A 178 -8.544 39.903 -9.446 1.00 34.33 C ATOM 0 H MET A 178 -12.734 37.400 -11.742 1.00 22.04 H new ATOM 0 HA MET A 178 -10.495 36.014 -11.794 1.00 21.67 H new ATOM 0 HB2 MET A 178 -11.528 37.838 -9.855 1.00 25.70 H new ATOM 0 HB3 MET A 178 -10.105 37.233 -9.659 1.00 25.70 H new ATOM 0 HG2 MET A 178 -9.295 38.315 -11.553 1.00 27.15 H new ATOM 0 HG3 MET A 178 -10.732 38.727 -11.998 1.00 27.15 H new ATOM 0 HE1 MET A 178 -8.290 40.678 -8.920 1.00 34.33 H new ATOM 0 HE2 MET A 178 -8.722 39.155 -8.854 1.00 34.33 H new ATOM 0 HE3 MET A 178 -7.821 39.672 -10.050 1.00 34.33 H new ATOM 823 N ALA A 179 -12.534 35.202 -9.495 1.00 26.36 N ATOM 824 CA ALA A 179 -12.866 34.110 -8.572 1.00 24.31 C ATOM 825 C ALA A 179 -13.070 32.799 -9.247 1.00 24.04 C ATOM 826 O ALA A 179 -12.674 31.739 -8.729 1.00 24.93 O ATOM 827 CB ALA A 179 -14.062 34.512 -7.690 1.00 26.43 C ATOM 0 H ALA A 179 -13.125 35.824 -9.557 1.00 26.36 H new ATOM 0 HA ALA A 179 -12.095 33.970 -8.001 1.00 24.31 H new ATOM 0 HB1 ALA A 179 -14.275 33.786 -7.083 1.00 26.43 H new ATOM 0 HB2 ALA A 179 -13.835 35.304 -7.178 1.00 26.43 H new ATOM 0 HB3 ALA A 179 -14.830 34.699 -8.252 1.00 26.43 H new ATOM 828 N VAL A 180 -13.732 32.772 -10.411 1.00 23.54 N ATOM 829 CA VAL A 180 -13.825 31.533 -11.088 1.00 21.61 C ATOM 830 C VAL A 180 -12.483 30.960 -11.491 1.00 22.81 C ATOM 831 O VAL A 180 -12.232 29.792 -11.387 1.00 22.00 O ATOM 832 CB VAL A 180 -14.662 31.744 -12.385 1.00 24.70 C ATOM 833 CG1 VAL A 180 -14.609 30.547 -13.314 1.00 25.96 C ATOM 834 CG2 VAL A 180 -16.101 32.050 -12.062 1.00 25.58 C ATOM 0 H VAL A 180 -14.111 33.443 -10.792 1.00 23.54 H new ATOM 0 HA VAL A 180 -14.236 30.906 -10.473 1.00 21.61 H new ATOM 0 HB VAL A 180 -14.260 32.501 -12.840 1.00 24.70 H new ATOM 0 HG11 VAL A 180 -15.143 30.726 -14.104 1.00 25.96 H new ATOM 0 HG12 VAL A 180 -13.690 30.381 -13.576 1.00 25.96 H new ATOM 0 HG13 VAL A 180 -14.960 29.767 -12.857 1.00 25.96 H new ATOM 0 HG21 VAL A 180 -16.598 32.176 -12.885 1.00 25.58 H new ATOM 0 HG22 VAL A 180 -16.485 31.312 -11.563 1.00 25.58 H new ATOM 0 HG23 VAL A 180 -16.148 32.859 -11.529 1.00 25.58 H new ATOM 835 N PHE A 181 -11.637 31.799 -12.036 1.00 24.80 N ATOM 836 CA PHE A 181 -10.222 31.439 -12.326 1.00 21.84 C ATOM 837 C PHE A 181 -9.499 30.816 -11.168 1.00 23.56 C ATOM 838 O PHE A 181 -8.961 29.739 -11.311 1.00 25.80 O ATOM 839 CB PHE A 181 -9.518 32.707 -12.869 1.00 25.17 C ATOM 840 CG PHE A 181 -8.072 32.541 -13.224 1.00 21.64 C ATOM 841 CD1 PHE A 181 -7.086 32.435 -12.259 1.00 25.14 C ATOM 842 CD2 PHE A 181 -7.691 32.703 -14.583 1.00 26.62 C ATOM 843 CE1 PHE A 181 -5.739 32.381 -12.604 1.00 26.28 C ATOM 844 CE2 PHE A 181 -6.360 32.660 -14.937 1.00 27.38 C ATOM 845 CZ PHE A 181 -5.397 32.474 -13.914 1.00 27.45 C ATOM 0 H PHE A 181 -11.845 32.603 -12.258 1.00 24.80 H new ATOM 0 HA PHE A 181 -10.207 30.737 -12.996 1.00 21.84 H new ATOM 0 HB2 PHE A 181 -9.995 33.010 -13.657 1.00 25.17 H new ATOM 0 HB3 PHE A 181 -9.593 33.409 -12.204 1.00 25.17 H new ATOM 0 HD1 PHE A 181 -7.328 32.399 -11.362 1.00 25.14 H new ATOM 0 HD2 PHE A 181 -8.341 32.838 -15.235 1.00 26.62 H new ATOM 0 HE1 PHE A 181 -5.086 32.283 -11.949 1.00 26.28 H new ATOM 0 HE2 PHE A 181 -6.100 32.751 -15.825 1.00 27.38 H new ATOM 0 HZ PHE A 181 -4.499 32.414 -14.149 1.00 27.45 H new ATOM 846 N ILE A 182 -9.585 31.484 -10.027 1.00 27.13 N ATOM 847 CA ILE A 182 -8.874 31.016 -8.801 1.00 28.25 C ATOM 848 C ILE A 182 -9.428 29.629 -8.437 1.00 29.82 C ATOM 849 O ILE A 182 -8.715 28.606 -8.254 1.00 31.96 O ATOM 850 CB ILE A 182 -9.008 32.037 -7.644 1.00 30.48 C ATOM 851 CG1 ILE A 182 -8.072 33.257 -7.940 1.00 28.76 C ATOM 852 CG2 ILE A 182 -8.629 31.400 -6.268 1.00 29.47 C ATOM 853 CD1 ILE A 182 -8.488 34.512 -7.261 1.00 27.69 C ATOM 0 H ILE A 182 -10.041 32.206 -9.923 1.00 27.13 H new ATOM 0 HA ILE A 182 -7.921 30.943 -8.969 1.00 28.25 H new ATOM 0 HB ILE A 182 -9.933 32.324 -7.588 1.00 30.48 H new ATOM 0 HG12 ILE A 182 -7.169 33.035 -7.665 1.00 28.76 H new ATOM 0 HG13 ILE A 182 -8.048 33.410 -8.898 1.00 28.76 H new ATOM 0 HG21 ILE A 182 -8.723 32.064 -5.567 1.00 29.47 H new ATOM 0 HG22 ILE A 182 -9.218 30.651 -6.085 1.00 29.47 H new ATOM 0 HG23 ILE A 182 -7.711 31.089 -6.297 1.00 29.47 H new ATOM 0 HD11 ILE A 182 -7.868 35.223 -7.487 1.00 27.69 H new ATOM 0 HD12 ILE A 182 -9.380 34.757 -7.552 1.00 27.69 H new ATOM 0 HD13 ILE A 182 -8.488 34.376 -6.301 1.00 27.69 H new ATOM 854 N HIS A 183 -10.780 29.543 -8.430 1.00 29.17 N ATOM 855 CA HIS A 183 -11.367 28.266 -8.108 1.00 26.96 C ATOM 856 C HIS A 183 -10.972 27.144 -9.020 1.00 26.47 C ATOM 857 O HIS A 183 -10.732 26.027 -8.591 1.00 27.32 O ATOM 858 CB HIS A 183 -12.943 28.392 -8.095 1.00 28.88 C ATOM 859 CG HIS A 183 -13.616 27.079 -7.980 1.00 34.51 C ATOM 860 ND1 HIS A 183 -13.887 26.504 -6.751 1.00 39.23 N ATOM 861 CD2 HIS A 183 -13.949 26.154 -8.919 1.00 33.97 C ATOM 862 CE1 HIS A 183 -14.401 25.307 -6.949 1.00 41.36 C ATOM 863 NE2 HIS A 183 -14.444 25.060 -8.253 1.00 39.50 N ATOM 0 H HIS A 183 -11.329 30.183 -8.601 1.00 29.17 H new ATOM 0 HA HIS A 183 -11.020 28.035 -7.232 1.00 26.96 H new ATOM 0 HB2 HIS A 183 -13.213 28.957 -7.354 1.00 28.88 H new ATOM 0 HB3 HIS A 183 -13.236 28.832 -8.908 1.00 28.88 H new ATOM 0 HD2 HIS A 183 -13.858 26.245 -9.840 1.00 33.97 H new ATOM 0 HE1 HIS A 183 -14.688 24.727 -6.281 1.00 41.36 H new ATOM 0 HE2 HIS A 183 -14.733 24.337 -8.619 1.00 39.50 H new ATOM 864 N ASN A 184 -10.964 27.370 -10.340 1.00 23.78 N ATOM 865 CA ASN A 184 -10.748 26.322 -11.242 1.00 24.35 C ATOM 866 C ASN A 184 -9.293 25.856 -11.300 1.00 24.76 C ATOM 867 O ASN A 184 -9.038 24.704 -11.775 1.00 28.50 O ATOM 868 CB ASN A 184 -11.144 26.745 -12.703 1.00 24.16 C ATOM 869 CG ASN A 184 -12.678 26.744 -12.920 1.00 25.42 C ATOM 870 OD1 ASN A 184 -13.212 27.338 -13.886 1.00 27.60 O ATOM 871 ND2 ASN A 184 -13.377 26.110 -12.032 1.00 20.18 N ATOM 0 H ASN A 184 -11.086 28.140 -10.703 1.00 23.78 H new ATOM 0 HA ASN A 184 -11.302 25.597 -10.914 1.00 24.35 H new ATOM 0 HB2 ASN A 184 -10.794 27.631 -12.887 1.00 24.16 H new ATOM 0 HB3 ASN A 184 -10.729 26.139 -13.337 1.00 24.16 H new ATOM 0 HD21 ASN A 184 -14.234 26.088 -12.095 1.00 20.18 H new ATOM 0 HD22 ASN A 184 -12.984 25.711 -11.380 1.00 20.18 H new ATOM 872 N LYS A 185 -8.382 26.738 -10.933 1.00 29.53 N ATOM 873 CA LYS A 185 -6.923 26.496 -11.036 1.00 31.86 C ATOM 874 C LYS A 185 -6.253 26.070 -9.710 1.00 38.13 C ATOM 875 O LYS A 185 -5.227 25.427 -9.750 1.00 35.12 O ATOM 876 CB LYS A 185 -6.133 27.754 -11.429 1.00 33.16 C ATOM 877 CG LYS A 185 -6.624 28.526 -12.591 1.00 41.11 C ATOM 878 CD LYS A 185 -6.283 27.926 -13.886 1.00 38.46 C ATOM 879 CE LYS A 185 -6.643 28.884 -15.045 1.00 40.78 C ATOM 880 NZ LYS A 185 -6.809 28.028 -16.242 1.00 42.93 N ATOM 0 H LYS A 185 -8.580 27.510 -10.610 1.00 29.53 H new ATOM 0 HA LYS A 185 -6.887 25.794 -11.704 1.00 31.86 H new ATOM 0 HB2 LYS A 185 -6.111 28.347 -10.662 1.00 33.16 H new ATOM 0 HB3 LYS A 185 -5.217 27.490 -11.609 1.00 33.16 H new ATOM 0 HG2 LYS A 185 -7.588 28.612 -12.528 1.00 41.11 H new ATOM 0 HG3 LYS A 185 -6.256 29.423 -12.552 1.00 41.11 H new ATOM 0 HD2 LYS A 185 -5.335 27.721 -13.913 1.00 38.46 H new ATOM 0 HD3 LYS A 185 -6.758 27.087 -13.994 1.00 38.46 H new ATOM 0 HE2 LYS A 185 -7.458 29.373 -14.851 1.00 40.78 H new ATOM 0 HE3 LYS A 185 -5.944 29.542 -15.182 1.00 40.78 H new ATOM 0 HZ1 LYS A 185 -7.019 28.535 -16.943 1.00 42.93 H new ATOM 0 HZ2 LYS A 185 -6.049 27.596 -16.406 1.00 42.93 H new ATOM 0 HZ3 LYS A 185 -7.460 27.438 -16.098 1.00 42.93 H new ATOM 881 N LYS A 186 -6.843 26.420 -8.570 1.00 36.38 N ATOM 882 CA LYS A 186 -6.373 26.040 -7.222 1.00 42.33 C ATOM 883 C LYS A 186 -6.261 24.506 -7.128 1.00 45.65 C ATOM 884 O LYS A 186 -7.217 23.771 -7.429 1.00 42.81 O ATOM 885 CB LYS A 186 -7.386 26.577 -6.166 1.00 47.74 C ATOM 886 CG LYS A 186 -6.988 26.421 -4.697 1.00 60.14 C ATOM 887 CD LYS A 186 -7.241 27.700 -3.879 1.00 58.97 C ATOM 888 CE LYS A 186 -8.714 27.958 -3.481 1.00 64.59 C ATOM 889 NZ LYS A 186 -8.962 29.338 -2.879 1.00 51.49 N ATOM 0 H LYS A 186 -7.554 26.903 -8.551 1.00 36.38 H new ATOM 0 HA LYS A 186 -5.499 26.424 -7.052 1.00 42.33 H new ATOM 0 HB2 LYS A 186 -7.536 27.519 -6.341 1.00 47.74 H new ATOM 0 HB3 LYS A 186 -8.233 26.125 -6.301 1.00 47.74 H new ATOM 0 HG2 LYS A 186 -7.487 25.687 -4.306 1.00 60.14 H new ATOM 0 HG3 LYS A 186 -6.048 26.186 -4.643 1.00 60.14 H new ATOM 0 HD2 LYS A 186 -6.707 27.659 -3.070 1.00 58.97 H new ATOM 0 HD3 LYS A 186 -6.923 28.460 -4.391 1.00 58.97 H new ATOM 0 HE2 LYS A 186 -9.275 27.852 -4.266 1.00 64.59 H new ATOM 0 HE3 LYS A 186 -8.990 27.282 -2.842 1.00 64.59 H new ATOM 0 HZ1 LYS A 186 -9.824 29.422 -2.673 1.00 51.49 H new ATOM 0 HZ2 LYS A 186 -8.471 29.434 -2.143 1.00 51.49 H new ATOM 0 HZ3 LYS A 186 -8.736 29.965 -3.469 1.00 51.49 H new ATOM 890 N ARG A 187 -5.082 23.985 -6.743 1.00 48.37 N ATOM 891 CA ARG A 187 -4.948 22.518 -6.509 1.00 47.54 C ATOM 892 C ARG A 187 -5.144 22.108 -5.049 1.00 50.52 C ATOM 893 O ARG A 187 -4.904 22.905 -4.119 1.00 58.17 O ATOM 894 CB ARG A 187 -3.630 21.971 -7.030 1.00 52.79 C ATOM 895 CG ARG A 187 -3.439 22.121 -8.551 1.00 50.99 C ATOM 896 CD ARG A 187 -2.445 21.109 -9.128 1.00 45.71 C ATOM 897 NE ARG A 187 -2.222 21.355 -10.538 1.00 45.67 N ATOM 898 CZ ARG A 187 -1.370 22.268 -11.030 1.00 55.59 C ATOM 899 NH1 ARG A 187 -0.561 23.004 -10.239 1.00 52.93 N ATOM 900 NH2 ARG A 187 -1.281 22.412 -12.350 1.00 56.65 N ATOM 0 H ARG A 187 -4.365 24.441 -6.613 1.00 48.37 H new ATOM 0 HA ARG A 187 -5.673 22.121 -7.017 1.00 47.54 H new ATOM 0 HB2 ARG A 187 -2.902 22.424 -6.577 1.00 52.79 H new ATOM 0 HB3 ARG A 187 -3.567 21.031 -6.798 1.00 52.79 H new ATOM 0 HG2 ARG A 187 -4.296 22.014 -8.992 1.00 50.99 H new ATOM 0 HG3 ARG A 187 -3.130 23.019 -8.747 1.00 50.99 H new ATOM 0 HD2 ARG A 187 -1.604 21.166 -8.648 1.00 45.71 H new ATOM 0 HD3 ARG A 187 -2.783 20.209 -9.002 1.00 45.71 H new ATOM 0 HE ARG A 187 -2.668 20.882 -11.101 1.00 45.67 H new ATOM 0 HH11 ARG A 187 -0.580 22.896 -9.386 1.00 52.93 H new ATOM 0 HH12 ARG A 187 -0.027 23.581 -10.588 1.00 52.93 H new ATOM 0 HH21 ARG A 187 -1.764 21.925 -12.869 1.00 56.65 H new ATOM 0 HH22 ARG A 187 -0.741 22.992 -12.684 1.00 56.65 H new ATOM 901 N LYS A 188 -5.649 20.892 -4.878 1.00 65.78 N ATOM 902 CA LYS A 188 -5.634 20.180 -3.574 1.00 94.03 C ATOM 903 C LYS A 188 -4.333 19.366 -3.395 1.00 90.99 C ATOM 904 O LYS A 188 -4.076 18.805 -2.319 1.00 92.41 O ATOM 905 CB LYS A 188 -6.876 19.265 -3.371 1.00 86.91 C ATOM 906 CG LYS A 188 -7.131 18.214 -4.447 1.00 82.66 C ATOM 0 H LYS A 188 -6.016 20.442 -5.512 1.00 65.78 H new ATOM 0 HA LYS A 188 -5.670 20.868 -2.891 1.00 94.03 H new ATOM 0 HB2 LYS A 188 -6.782 18.811 -2.519 1.00 86.91 H new ATOM 0 HB3 LYS A 188 -7.662 19.830 -3.306 1.00 86.91 H new ATOM 907 N TYR A 194 -4.851 17.498 -8.303 1.00 51.93 N ATOM 908 CA TYR A 194 -5.427 18.172 -9.469 1.00 44.02 C ATOM 909 C TYR A 194 -6.399 19.302 -9.121 1.00 35.04 C ATOM 910 O TYR A 194 -7.087 19.292 -8.067 1.00 38.91 O ATOM 911 CB TYR A 194 -6.082 17.211 -10.465 1.00 47.04 C ATOM 912 CG TYR A 194 -5.086 16.182 -10.853 1.00 53.36 C ATOM 913 CD1 TYR A 194 -3.964 16.509 -11.594 1.00 50.41 C ATOM 914 CD2 TYR A 194 -5.204 14.897 -10.344 1.00 65.84 C ATOM 915 CE1 TYR A 194 -3.029 15.546 -11.902 1.00 59.78 C ATOM 916 CE2 TYR A 194 -4.294 13.922 -10.637 1.00 61.62 C ATOM 917 CZ TYR A 194 -3.203 14.242 -11.391 1.00 67.18 C ATOM 918 OH TYR A 194 -2.328 13.215 -11.601 1.00 72.35 O ATOM 0 HA TYR A 194 -4.656 18.574 -9.898 1.00 44.02 H new ATOM 0 HB2 TYR A 194 -6.861 16.792 -10.067 1.00 47.04 H new ATOM 0 HB3 TYR A 194 -6.389 17.695 -11.248 1.00 47.04 H new ATOM 0 HD1 TYR A 194 -3.841 17.384 -11.885 1.00 50.41 H new ATOM 0 HD2 TYR A 194 -5.922 14.694 -9.789 1.00 65.84 H new ATOM 0 HE1 TYR A 194 -2.296 15.751 -12.437 1.00 59.78 H new ATOM 0 HE2 TYR A 194 -4.416 13.054 -10.327 1.00 61.62 H new ATOM 0 HH TYR A 194 -2.609 12.524 -11.215 1.00 72.35 H new ATOM 919 N SER A 195 -6.422 20.275 -10.029 1.00 35.56 N ATOM 920 CA SER A 195 -7.407 21.347 -9.950 1.00 33.08 C ATOM 921 C SER A 195 -8.713 20.931 -10.591 1.00 29.95 C ATOM 922 O SER A 195 -8.758 19.977 -11.329 1.00 33.07 O ATOM 923 CB SER A 195 -6.863 22.555 -10.678 1.00 32.69 C ATOM 924 OG SER A 195 -6.820 22.238 -12.027 1.00 31.67 O ATOM 0 H SER A 195 -5.879 20.332 -10.694 1.00 35.56 H new ATOM 0 HA SER A 195 -7.575 21.552 -9.017 1.00 33.08 H new ATOM 0 HB2 SER A 195 -7.428 23.329 -10.526 1.00 32.69 H new ATOM 0 HB3 SER A 195 -5.978 22.781 -10.351 1.00 32.69 H new ATOM 0 HG SER A 195 -6.522 22.893 -12.460 1.00 31.67 H new ATOM 925 N ALA A 196 -9.809 21.654 -10.273 1.00 32.50 N ATOM 926 CA ALA A 196 -11.057 21.367 -10.978 1.00 27.69 C ATOM 927 C ALA A 196 -10.864 21.420 -12.483 1.00 28.44 C ATOM 928 O ALA A 196 -11.430 20.624 -13.217 1.00 29.25 O ATOM 929 CB ALA A 196 -12.152 22.280 -10.491 1.00 28.56 C ATOM 0 H ALA A 196 -9.844 22.279 -9.684 1.00 32.50 H new ATOM 0 HA ALA A 196 -11.332 20.459 -10.777 1.00 27.69 H new ATOM 0 HB1 ALA A 196 -12.974 22.081 -10.965 1.00 28.56 H new ATOM 0 HB2 ALA A 196 -12.287 22.145 -9.540 1.00 28.56 H new ATOM 0 HB3 ALA A 196 -11.901 23.203 -10.654 1.00 28.56 H new ATOM 930 N GLY A 197 -10.115 22.389 -12.988 1.00 25.66 N ATOM 931 CA GLY A 197 -9.975 22.463 -14.453 1.00 27.24 C ATOM 932 C GLY A 197 -9.228 21.278 -15.086 1.00 30.89 C ATOM 933 O GLY A 197 -9.511 20.807 -16.201 1.00 31.33 O ATOM 0 H GLY A 197 -9.696 22.989 -12.536 1.00 25.66 H new ATOM 0 HA2 GLY A 197 -10.859 22.521 -14.848 1.00 27.24 H new ATOM 0 HA3 GLY A 197 -9.509 23.283 -14.680 1.00 27.24 H new ATOM 934 N GLU A 198 -8.263 20.770 -14.324 1.00 33.37 N ATOM 935 CA GLU A 198 -7.589 19.549 -14.770 1.00 35.18 C ATOM 936 C GLU A 198 -8.543 18.367 -14.745 1.00 31.60 C ATOM 937 O GLU A 198 -8.566 17.585 -15.717 1.00 35.69 O ATOM 938 CB GLU A 198 -6.356 19.295 -13.850 1.00 36.68 C ATOM 939 CG GLU A 198 -5.240 20.295 -14.137 1.00 36.41 C ATOM 940 CD GLU A 198 -4.077 20.187 -13.137 1.00 39.57 C ATOM 941 OE1 GLU A 198 -4.269 19.921 -11.926 1.00 38.01 O ATOM 942 OE2 GLU A 198 -2.970 20.436 -13.617 1.00 43.51 O ATOM 0 H GLU A 198 -7.991 21.098 -13.577 1.00 33.37 H new ATOM 0 HA GLU A 198 -7.290 19.657 -15.686 1.00 35.18 H new ATOM 0 HB2 GLU A 198 -6.623 19.363 -12.920 1.00 36.68 H new ATOM 0 HB3 GLU A 198 -6.028 18.392 -13.986 1.00 36.68 H new ATOM 0 HG2 GLU A 198 -4.904 20.150 -15.035 1.00 36.41 H new ATOM 0 HG3 GLU A 198 -5.602 21.195 -14.111 1.00 36.41 H new ATOM 943 N ARG A 199 -9.374 18.290 -13.679 1.00 31.78 N ATOM 944 CA ARG A 199 -10.275 17.102 -13.507 1.00 35.18 C ATOM 945 C ARG A 199 -11.321 17.088 -14.581 1.00 33.18 C ATOM 946 O ARG A 199 -11.553 16.064 -15.187 1.00 31.70 O ATOM 947 CB ARG A 199 -10.945 17.082 -12.138 1.00 36.42 C ATOM 948 CG ARG A 199 -10.002 16.902 -10.971 1.00 46.30 C ATOM 949 CD ARG A 199 -10.750 16.657 -9.658 1.00 44.06 C ATOM 950 NE ARG A 199 -11.494 17.810 -9.127 1.00 49.59 N ATOM 951 CZ ARG A 199 -10.994 18.757 -8.303 1.00 51.50 C ATOM 952 NH1 ARG A 199 -9.710 18.721 -7.887 1.00 44.39 N ATOM 953 NH2 ARG A 199 -11.780 19.770 -7.863 1.00 45.68 N ATOM 0 H ARG A 199 -9.436 18.887 -13.063 1.00 31.78 H new ATOM 0 HA ARG A 199 -9.721 16.309 -13.576 1.00 35.18 H new ATOM 0 HB2 ARG A 199 -11.432 17.912 -12.018 1.00 36.42 H new ATOM 0 HB3 ARG A 199 -11.598 16.365 -12.123 1.00 36.42 H new ATOM 0 HG2 ARG A 199 -9.409 16.155 -11.148 1.00 46.30 H new ATOM 0 HG3 ARG A 199 -9.445 17.691 -10.882 1.00 46.30 H new ATOM 0 HD2 ARG A 199 -11.372 15.924 -9.790 1.00 44.06 H new ATOM 0 HD3 ARG A 199 -10.110 16.369 -8.988 1.00 44.06 H new ATOM 0 HE ARG A 199 -12.318 17.888 -9.361 1.00 49.59 H new ATOM 0 HH11 ARG A 199 -9.192 18.086 -8.147 1.00 44.39 H new ATOM 0 HH12 ARG A 199 -9.411 19.333 -7.362 1.00 44.39 H new ATOM 0 HH21 ARG A 199 -12.603 19.813 -8.108 1.00 45.68 H new ATOM 0 HH22 ARG A 199 -11.455 20.369 -7.339 1.00 45.68 H new ATOM 954 N ILE A 200 -11.922 18.255 -14.923 1.00 31.15 N ATOM 955 CA ILE A 200 -12.949 18.200 -15.981 1.00 28.85 C ATOM 956 C ILE A 200 -12.384 17.700 -17.278 1.00 29.72 C ATOM 957 O ILE A 200 -12.944 16.843 -17.916 1.00 31.29 O ATOM 958 CB ILE A 200 -13.769 19.559 -16.141 1.00 30.14 C ATOM 959 CG1 ILE A 200 -14.936 19.308 -17.142 1.00 28.54 C ATOM 960 CG2 ILE A 200 -12.877 20.786 -16.531 1.00 30.00 C ATOM 961 CD1 ILE A 200 -15.893 20.488 -17.187 1.00 29.17 C ATOM 0 H ILE A 200 -11.763 19.028 -14.582 1.00 31.15 H new ATOM 0 HA ILE A 200 -13.605 17.547 -15.690 1.00 28.85 H new ATOM 0 HB ILE A 200 -14.134 19.810 -15.278 1.00 30.14 H new ATOM 0 HG12 ILE A 200 -14.575 19.148 -18.028 1.00 28.54 H new ATOM 0 HG13 ILE A 200 -15.419 18.507 -16.884 1.00 28.54 H new ATOM 0 HG21 ILE A 200 -13.432 21.577 -16.612 1.00 30.00 H new ATOM 0 HG22 ILE A 200 -12.207 20.931 -15.844 1.00 30.00 H new ATOM 0 HG23 ILE A 200 -12.438 20.611 -17.378 1.00 30.00 H new ATOM 0 HD11 ILE A 200 -16.607 20.302 -17.817 1.00 29.17 H new ATOM 0 HD12 ILE A 200 -16.270 20.633 -16.305 1.00 29.17 H new ATOM 0 HD13 ILE A 200 -15.414 21.283 -17.467 1.00 29.17 H new ATOM 962 N VAL A 201 -11.219 18.192 -17.690 1.00 32.07 N ATOM 963 CA VAL A 201 -10.662 17.821 -18.965 1.00 31.95 C ATOM 964 C VAL A 201 -10.314 16.320 -19.028 1.00 35.30 C ATOM 965 O VAL A 201 -10.542 15.607 -20.027 1.00 30.62 O ATOM 966 CB VAL A 201 -9.501 18.773 -19.220 1.00 37.97 C ATOM 967 CG1 VAL A 201 -8.349 18.202 -19.949 1.00 43.23 C ATOM 968 CG2 VAL A 201 -10.048 20.039 -19.894 1.00 37.39 C ATOM 0 H VAL A 201 -10.740 18.744 -17.237 1.00 32.07 H new ATOM 0 HA VAL A 201 -11.303 17.918 -19.687 1.00 31.95 H new ATOM 0 HB VAL A 201 -9.117 18.984 -18.355 1.00 37.97 H new ATOM 0 HG11 VAL A 201 -7.667 18.883 -20.061 1.00 43.23 H new ATOM 0 HG12 VAL A 201 -7.983 17.458 -19.445 1.00 43.23 H new ATOM 0 HG13 VAL A 201 -8.640 17.890 -20.820 1.00 43.23 H new ATOM 0 HG21 VAL A 201 -9.319 20.656 -20.063 1.00 37.39 H new ATOM 0 HG22 VAL A 201 -10.472 19.802 -20.734 1.00 37.39 H new ATOM 0 HG23 VAL A 201 -10.699 20.460 -19.312 1.00 37.39 H new ATOM 969 N ASP A 202 -9.828 15.818 -17.905 1.00 35.35 N ATOM 970 CA ASP A 202 -9.507 14.398 -17.799 1.00 42.36 C ATOM 971 C ASP A 202 -10.776 13.524 -17.795 1.00 39.06 C ATOM 972 O ASP A 202 -10.878 12.554 -18.548 1.00 39.51 O ATOM 973 CB ASP A 202 -8.691 14.124 -16.520 1.00 47.11 C ATOM 974 CG ASP A 202 -8.259 12.644 -16.415 1.00 58.10 C ATOM 975 OD1 ASP A 202 -7.381 12.258 -17.214 1.00 62.89 O ATOM 976 OD2 ASP A 202 -8.853 11.907 -15.594 1.00 53.58 O ATOM 0 H ASP A 202 -9.676 16.277 -17.194 1.00 35.35 H new ATOM 0 HA ASP A 202 -8.979 14.164 -18.579 1.00 42.36 H new ATOM 0 HB2 ASP A 202 -7.904 14.691 -16.512 1.00 47.11 H new ATOM 0 HB3 ASP A 202 -9.220 14.362 -15.743 1.00 47.11 H new ATOM 977 N ILE A 203 -11.749 13.920 -16.985 1.00 37.51 N ATOM 978 CA ILE A 203 -13.008 13.180 -16.920 1.00 37.80 C ATOM 979 C ILE A 203 -13.585 13.109 -18.329 1.00 44.97 C ATOM 980 O ILE A 203 -13.971 12.028 -18.813 1.00 42.83 O ATOM 981 CB ILE A 203 -13.958 13.812 -15.898 1.00 36.09 C ATOM 982 CG1 ILE A 203 -13.516 13.532 -14.466 1.00 35.94 C ATOM 983 CG2 ILE A 203 -15.360 13.284 -16.043 1.00 38.61 C ATOM 984 CD1 ILE A 203 -14.217 14.348 -13.426 1.00 36.92 C ATOM 0 H ILE A 203 -11.705 14.606 -16.469 1.00 37.51 H new ATOM 0 HA ILE A 203 -12.865 12.273 -16.606 1.00 37.80 H new ATOM 0 HB ILE A 203 -13.936 14.765 -16.075 1.00 36.09 H new ATOM 0 HG12 ILE A 203 -13.660 12.592 -14.274 1.00 35.94 H new ATOM 0 HG13 ILE A 203 -12.562 13.693 -14.397 1.00 35.94 H new ATOM 0 HG21 ILE A 203 -15.934 13.703 -15.383 1.00 38.61 H new ATOM 0 HG22 ILE A 203 -15.691 13.484 -16.933 1.00 38.61 H new ATOM 0 HG23 ILE A 203 -15.360 12.324 -15.907 1.00 38.61 H new ATOM 0 HD11 ILE A 203 -13.881 14.111 -12.548 1.00 36.92 H new ATOM 0 HD12 ILE A 203 -14.055 15.290 -13.590 1.00 36.92 H new ATOM 0 HD13 ILE A 203 -15.170 14.172 -13.465 1.00 36.92 H new ATOM 985 N ILE A 204 -13.586 14.232 -19.042 1.00 37.58 N ATOM 986 CA ILE A 204 -14.266 14.246 -20.325 1.00 32.51 C ATOM 987 C ILE A 204 -13.447 13.543 -21.389 1.00 38.26 C ATOM 988 O ILE A 204 -13.972 12.729 -22.158 1.00 37.23 O ATOM 989 CB ILE A 204 -14.505 15.686 -20.826 1.00 36.26 C ATOM 990 CG1 ILE A 204 -15.299 16.527 -19.837 1.00 37.18 C ATOM 991 CG2 ILE A 204 -15.105 15.682 -22.201 1.00 35.58 C ATOM 992 CD1 ILE A 204 -16.682 16.086 -19.663 1.00 38.36 C ATOM 0 H ILE A 204 -13.212 14.971 -18.809 1.00 37.58 H new ATOM 0 HA ILE A 204 -15.111 13.791 -20.183 1.00 32.51 H new ATOM 0 HB ILE A 204 -13.639 16.119 -20.891 1.00 36.26 H new ATOM 0 HG12 ILE A 204 -14.852 16.507 -18.977 1.00 37.18 H new ATOM 0 HG13 ILE A 204 -15.298 17.450 -20.136 1.00 37.18 H new ATOM 0 HG21 ILE A 204 -15.246 16.595 -22.495 1.00 35.58 H new ATOM 0 HG22 ILE A 204 -14.503 15.234 -22.816 1.00 35.58 H new ATOM 0 HG23 ILE A 204 -15.954 15.214 -22.182 1.00 35.58 H new ATOM 0 HD11 ILE A 204 -17.128 16.663 -19.023 1.00 38.36 H new ATOM 0 HD12 ILE A 204 -17.145 16.130 -20.514 1.00 38.36 H new ATOM 0 HD13 ILE A 204 -16.692 15.173 -19.336 1.00 38.36 H new ATOM 993 N ALA A 205 -12.142 13.790 -21.405 1.00 41.45 N ATOM 994 CA ALA A 205 -11.274 13.132 -22.397 1.00 41.76 C ATOM 995 C ALA A 205 -11.390 11.606 -22.251 1.00 47.37 C ATOM 996 O ALA A 205 -11.432 10.894 -23.254 1.00 39.83 O ATOM 997 CB ALA A 205 -9.823 13.539 -22.202 1.00 43.33 C ATOM 0 H ALA A 205 -11.738 14.323 -20.864 1.00 41.45 H new ATOM 0 HA ALA A 205 -11.561 13.407 -23.282 1.00 41.76 H new ATOM 0 HB1 ALA A 205 -9.270 13.095 -22.864 1.00 43.33 H new ATOM 0 HB2 ALA A 205 -9.740 14.500 -22.304 1.00 43.33 H new ATOM 0 HB3 ALA A 205 -9.531 13.282 -21.313 1.00 43.33 H new ATOM 998 N THR A 206 -11.420 11.147 -21.001 1.00 40.97 N ATOM 999 CA THR A 206 -11.465 9.745 -20.667 1.00 45.02 C ATOM 1000 C THR A 206 -12.731 9.107 -21.206 1.00 48.53 C ATOM 1001 O THR A 206 -12.698 8.000 -21.650 1.00 46.48 O ATOM 1002 CB THR A 206 -11.372 9.530 -19.161 1.00 47.79 C ATOM 1003 OG1 THR A 206 -10.062 9.885 -18.726 1.00 47.76 O ATOM 1004 CG2 THR A 206 -11.581 8.073 -18.816 1.00 54.39 C ATOM 0 H THR A 206 -11.414 11.663 -20.313 1.00 40.97 H new ATOM 0 HA THR A 206 -10.698 9.321 -21.082 1.00 45.02 H new ATOM 0 HB THR A 206 -12.052 10.072 -18.731 1.00 47.79 H new ATOM 0 HG1 THR A 206 -10.027 10.713 -18.589 1.00 47.76 H new ATOM 0 HG21 THR A 206 -11.518 7.956 -17.855 1.00 54.39 H new ATOM 0 HG22 THR A 206 -12.458 7.791 -19.119 1.00 54.39 H new ATOM 0 HG23 THR A 206 -10.901 7.536 -19.252 1.00 54.39 H new ATOM 1005 N ASP A 207 -13.834 9.832 -21.196 1.00 46.95 N ATOM 1006 CA ASP A 207 -15.120 9.347 -21.697 1.00 44.45 C ATOM 1007 C ASP A 207 -15.287 9.354 -23.223 1.00 51.52 C ATOM 1008 O ASP A 207 -16.255 8.791 -23.720 1.00 56.43 O ATOM 1009 CB ASP A 207 -16.189 10.251 -21.075 1.00 48.48 C ATOM 1010 CG ASP A 207 -17.612 9.684 -21.189 1.00 64.69 C ATOM 1011 OD1 ASP A 207 -17.915 8.623 -20.580 1.00 64.09 O ATOM 1012 OD2 ASP A 207 -18.446 10.329 -21.855 1.00 59.04 O ATOM 0 H ASP A 207 -13.864 10.636 -20.893 1.00 46.95 H new ATOM 0 HA ASP A 207 -15.193 8.412 -21.449 1.00 44.45 H new ATOM 0 HB2 ASP A 207 -15.979 10.392 -20.139 1.00 48.48 H new ATOM 0 HB3 ASP A 207 -16.159 11.119 -21.506 1.00 48.48 H new ATOM 1013 N ILE A 208 -14.404 9.997 -23.995 1.00 48.30 N ATOM 1014 CA ILE A 208 -14.667 10.145 -25.452 1.00 49.08 C ATOM 1015 C ILE A 208 -14.660 8.785 -26.155 1.00 52.54 C ATOM 1016 O ILE A 208 -13.737 8.031 -25.897 1.00 52.89 O ATOM 1017 CB ILE A 208 -13.611 11.054 -26.123 1.00 50.32 C ATOM 1018 CG1 ILE A 208 -13.860 12.540 -25.812 1.00 54.32 C ATOM 1019 CG2 ILE A 208 -13.618 10.912 -27.631 1.00 44.47 C ATOM 1020 CD1 ILE A 208 -12.596 13.374 -26.000 1.00 57.04 C ATOM 0 H ILE A 208 -13.669 10.347 -23.717 1.00 48.30 H new ATOM 0 HA ILE A 208 -15.544 10.551 -25.539 1.00 49.08 H new ATOM 0 HB ILE A 208 -12.757 10.768 -25.762 1.00 50.32 H new ATOM 0 HG12 ILE A 208 -14.561 12.879 -26.390 1.00 54.32 H new ATOM 0 HG13 ILE A 208 -14.176 12.632 -24.900 1.00 54.32 H new ATOM 0 HG21 ILE A 208 -12.945 11.496 -28.014 1.00 44.47 H new ATOM 0 HG22 ILE A 208 -13.423 9.993 -27.871 1.00 44.47 H new ATOM 0 HG23 ILE A 208 -14.491 11.157 -27.975 1.00 44.47 H new ATOM 0 HD11 ILE A 208 -12.788 14.303 -25.796 1.00 57.04 H new ATOM 0 HD12 ILE A 208 -11.902 13.049 -25.405 1.00 57.04 H new ATOM 0 HD13 ILE A 208 -12.293 13.301 -26.919 1.00 57.04 H new TER 1021 ILE A 208 HETATM 1022 MG MG A 301 -31.101 29.218 -8.513 1.00 48.32 MG HETATM 1023 O HOH A 401 -19.307 30.593 -27.093 1.00 26.50 O HETATM 1024 O HOH A 402 -22.641 27.366 -27.919 1.00 23.66 O HETATM 1025 O HOH A 403 -20.315 27.869 -26.683 1.00 30.75 O HETATM 1026 O HOH A 404 -21.495 29.593 -20.303 1.00 45.73 O HETATM 1027 O HOH A 405 -31.124 34.132 -15.333 1.00 39.54 O HETATM 1028 O HOH A 406 -20.165 17.737 -19.499 1.00 34.56 O HETATM 1029 O HOH A 407 -23.491 19.699 -25.266 1.00 30.98 O HETATM 1030 O HOH A 408 -38.724 36.485 -16.796 1.00 39.50 O HETATM 1031 O HOH A 409 -9.655 23.647 -8.241 1.00 31.42 O HETATM 1032 O HOH A 410 -27.063 34.855 -19.962 1.00 33.36 O HETATM 1033 O HOH A 411 -37.077 21.220 -23.346 1.00 41.98 O HETATM 1034 O HOH A 412 -28.473 33.981 -2.616 1.00 51.60 O HETATM 1035 O HOH A 413 -20.601 15.795 -13.725 1.00 35.49 O HETATM 1036 O HOH A 414 -34.452 31.377 -15.477 1.00 32.83 O HETATM 1037 O HOH A 415 -37.441 30.004 -17.131 1.00 38.23 O HETATM 1038 O HOH A 416 -38.357 22.581 -13.880 1.00 40.22 O HETATM 1039 O HOH A 417 -33.411 31.335 -8.335 1.00 58.44 O HETATM 1040 O HOH A 418 -26.068 19.621 -24.871 1.00 39.12 O HETATM 1041 O HOH A 419 -3.546 28.407 -16.244 1.00 47.02 O HETATM 1042 O HOH A 420 -42.439 31.711 -21.079 1.00 47.00 O HETATM 1043 O HOH A 421 -14.806 28.907 -16.515 1.00 40.34 O HETATM 1044 O HOH A 422 -29.782 14.739 -22.640 1.00 44.18 O HETATM 1045 O HOH A 423 -22.479 37.085 -25.970 1.00 38.11 O HETATM 1046 O HOH A 424 -32.521 15.896 -13.157 1.00 64.34 O HETATM 1047 O HOH A 425 -26.535 24.697 -5.287 1.00 64.71 O HETATM 1048 O HOH A 426 -42.311 30.196 -17.104 1.00 46.68 O HETATM 1049 O HOH A 427 -4.887 30.935 -9.059 1.00 43.17 O HETATM 1050 O HOH A 428 -33.128 39.212 -20.383 1.00 40.72 O HETATM 1051 O HOH A 429 -33.179 19.871 -11.311 1.00 47.64 O HETATM 1052 O HOH A 430 -17.335 11.090 -14.208 1.00 50.04 O HETATM 1053 O HOH A 431 -36.892 36.367 -20.350 1.00 41.33 O HETATM 1054 O HOH A 432 -13.018 42.813 -16.688 1.00 42.79 O HETATM 1055 O HOH A 433 -38.597 34.173 -20.487 1.00 42.09 O HETATM 1056 O HOH A 434 -24.435 35.132 -20.623 1.00 44.22 O HETATM 1057 O HOH A 435 -8.283 34.337 -3.205 1.00 54.58 O HETATM 1058 O HOH A 436 -33.517 42.097 -16.495 1.00 46.81 O HETATM 1059 O HOH A 437 -11.433 22.201 -6.715 1.00 58.39 O HETATM 1060 O HOH A 438 -25.090 30.055 -7.451 1.00 49.39 O HETATM 1061 O HOH A 439 -28.007 41.650 -3.753 1.00 48.32 O HETATM 1062 O HOH A 440 -7.584 27.941 -0.744 1.00 64.92 O HETATM 1063 O HOH A 441 -6.102 30.330 -3.656 1.00 51.33 O HETATM 1064 O HOH A 442 -26.533 17.593 -28.007 1.00 51.45 O HETATM 1065 O HOH A 443 -35.768 41.471 -15.059 1.00 51.81 O HETATM 1066 O HOH A 444 -17.309 21.440 -27.426 1.00 44.94 O HETATM 1067 O HOH A 445 -7.682 25.428 -16.280 1.00 51.12 O HETATM 1068 O HOH A 446 -1.258 18.822 -11.904 1.00 66.43 O HETATM 1069 O HOH A 447 -40.189 26.015 -25.498 1.00 58.11 O HETATM 1070 O HOH A 448 -31.133 18.753 -8.303 1.00 59.55 O HETATM 1071 O HOH A 449 -38.540 31.352 -9.998 1.00 48.18 O HETATM 1072 O HOH A 450 -9.676 46.382 -15.045 1.00 64.15 O HETATM 1073 O HOH A 451 -34.124 29.690 -26.706 1.00 46.88 O HETATM 1074 O HOH A 452 -20.565 44.022 -12.623 1.00 40.06 O HETATM 1075 O HOH A 453 -36.628 39.228 -14.167 1.00 48.48 O HETATM 1076 O HOH A 454 -14.376 36.235 1.695 1.00 52.32 O HETATM 1077 O HOH A 455 -2.320 21.607 -15.683 1.00 54.48 O HETATM 1078 O HOH A 456 -21.040 13.920 -21.443 1.00 41.78 O HETATM 1079 O HOH A 457 -22.704 43.485 -14.434 1.00 51.92 O HETATM 1080 O HOH A 458 -15.359 19.962 -25.095 1.00 59.25 O HETATM 1081 O HOH A 459 -25.141 43.073 -15.150 1.00 49.59 O HETATM 1082 O HOH A 460 -24.694 26.059 -8.916 1.00 49.11 O HETATM 1083 O HOH A 461 -36.274 17.642 -19.302 1.00 55.43 O HETATM 1084 O HOH A 462 -20.041 46.947 -10.649 1.00 40.56 O HETATM 1085 O HOH A 463 -40.258 30.584 -14.619 1.00 66.23 O HETATM 1086 O HOH A 464 -22.215 45.851 -8.417 1.00 65.13 O HETATM 1087 O HOH A 465 -27.051 15.941 -25.228 1.00 64.70 O HETATM 1088 O HOH A 466 -30.956 41.671 -9.006 1.00 52.40 O HETATM 1089 O HOH A 467 -23.960 39.039 -18.731 1.00 54.56 O HETATM 1090 O HOH A 468 -15.411 7.863 -18.915 1.00 65.83 O HETATM 1091 O HOH A 469 -26.242 18.702 -8.631 1.00 60.24 O HETATM 1092 O HOH A 470 -18.263 47.414 -17.740 1.00 64.10 O HETATM 1093 O HOH A 471 -26.844 29.302 -5.059 1.00 57.93 O HETATM 1094 O HOH A 472 -16.345 13.077 -23.642 1.00 59.18 O HETATM 1095 O HOH A 473 -43.543 26.979 -21.597 1.00 61.30 O HETATM 1096 O HOH A 474 -18.914 19.188 -7.553 1.00 52.74 O HETATM 1097 O HOH A 475 -5.879 24.049 -13.656 1.00 46.29 O HETATM 1098 O HOH A 476 -18.852 10.458 -24.432 1.00 70.89 O HETATM 1099 O HOH A 477 -5.380 42.768 -9.301 1.00 59.58 O HETATM 1100 O HOH A 478 -4.756 14.537 -6.517 1.00 68.50 O HETATM 1101 O HOH A 479 -36.575 35.565 -12.801 1.00 69.29 O HETATM 1102 O HOH A 480 -35.374 19.195 -23.198 1.00 52.91 O HETATM 1103 O HOH A 481 -13.417 15.999 -8.478 1.00 65.14 O HETATM 1104 O HOH A 482 -30.736 13.302 -13.195 1.00 60.58 O HETATM 1105 O HOH A 483 -26.795 40.566 -19.512 1.00 63.85 O HETATM 1106 O HOH A 484 0.414 11.144 -7.409 1.00 77.92 O HETATM 1107 O HOH A 485 -33.985 49.519 -12.805 1.00 69.59 O HETATM 1108 O HOH A 486 -14.526 9.851 -17.289 1.00 47.69 O HETATM 1109 O HOH A 487 -27.198 10.900 -19.580 1.00 77.02 O HETATM 1110 O HOH A 488 -26.331 12.777 -17.618 1.00 57.82 O HETATM 1111 O HOH A 489 -14.140 24.038 -3.401 1.00 62.07 O HETATM 1112 O HOH A 490 -24.555 48.159 -6.327 1.00 71.29 O HETATM 1113 O HOH A 491 -20.410 12.883 -24.517 1.00 70.31 O HETATM 1114 O HOH A 492 -16.692 28.646 2.286 1.00 71.80 O HETATM 1115 O HOH A 493 -31.210 44.968 -7.632 1.00 67.42 O HETATM 1116 O HOH A 494 -9.074 20.187 -4.723 1.00 78.13 O HETATM 1117 O HOH A 495 -14.245 21.360 -6.404 1.00 67.85 O HETATM 1118 O HOH A 496 -35.690 33.224 -14.278 1.00 54.47 O HETATM 1119 O HOH A 497 -38.565 32.117 -15.824 1.00 50.70 O HETATM 1120 O HOH A 498 -22.729 22.801 -3.952 1.00 63.12 O HETATM 1121 O HOH A 499 -43.940 24.843 -22.912 1.00 66.99 O HETATM 1122 O HOH A 500 -21.562 24.283 -1.214 1.00 64.92 O HETATM 1123 O HOH A 501 -28.442 12.577 -14.496 1.00 61.04 O HETATM 1124 O HOH A 502 -37.651 30.866 -27.556 1.00 57.17 O HETATM 1125 O HOH A 503 -12.660 9.563 -15.419 1.00 51.38 O HETATM 1126 O HOH A 504 -17.857 40.338 -2.207 1.00 63.10 O HETATM 1127 O HOH A 505 -39.968 31.576 -26.351 1.00 58.06 O HETATM 1128 O HOH A 506 -39.432 23.853 -26.710 1.00 62.80 O HETATM 1129 O HOH A 507 -38.550 33.218 -7.956 1.00 61.45 O HETATM 1130 O HOH A 508 -33.733 38.615 -9.779 1.00 49.19 O HETATM 1131 O HOH A 509 -6.683 23.218 -2.258 1.00 55.43 O HETATM 1132 O HOH A 510 -32.522 32.457 -6.523 1.00 54.70 O HETATM 1133 O HOH A 511 -3.716 24.836 -12.298 1.00 71.64 O HETATM 1134 O HOH A 512 -26.731 46.960 -8.426 1.00 65.77 O HETATM 1135 O HOH A 513 -18.386 48.478 -8.169 1.00 65.38 O HETATM 1136 O HOH A 514 -31.810 34.253 -24.537 1.00 72.95 O HETATM 1137 O HOH A 515 -26.838 10.399 -14.706 1.00 73.74 O HETATM 1138 O HOH A 516 -44.452 32.011 -24.181 1.00 58.95 O HETATM 1139 O HOH A 517 -18.768 13.155 -21.976 1.00 52.17 O HETATM 1140 O HOH A 518 -11.698 25.964 -0.165 1.00 78.70 O HETATM 1141 O HOH A 519 -36.202 40.463 -25.891 1.00 71.26 O HETATM 1142 O HOH A 520 -15.453 52.745 -14.689 1.00 71.95 O HETATM 1143 O HOH A 521 -14.097 51.531 -12.530 1.00 75.17 O HETATM 1144 O HOH A 522 -14.613 5.468 -20.885 1.00 70.46 O HETATM 1145 O HOH A 523 -33.377 13.462 -14.356 1.00 74.51 O HETATM 1146 O HOH A 524 -33.339 13.663 -11.870 1.00 80.36 O HETATM 1147 O HOH A 525 -34.596 42.734 -10.191 1.00 64.19 O HETATM 1148 O HOH A 526 -26.179 24.485 -15.323 1.00 55.59 O HETATM 1149 O HOH A 527 -30.991 27.240 -6.851 1.00 46.40 O HETATM 1150 O HOH A 528 -6.628 22.649 -17.389 1.00 60.26 O HETATM 1151 O HOH A 529 -29.304 29.701 -5.325 1.00 48.69 O HETATM 1152 O HOH A 530 -17.397 9.774 -27.271 1.00 59.99 O HETATM 1153 O HOH A 531 -35.277 36.527 -8.070 1.00 60.92 O HETATM 1154 O HOH A 532 -31.095 13.951 -26.897 1.00 58.43 O HETATM 1155 O HOH A 533 -15.941 11.122 -12.283 1.00 55.77 O HETATM 1156 O HOH A 534 -27.920 17.645 -5.781 1.00 74.93 O HETATM 1157 O HOH A 535 -34.481 24.755 -3.166 1.00 53.23 O HETATM 1158 O HOH A 536 -32.439 28.291 -10.741 1.00 39.88 O HETATM 1159 O HOH A 537 -39.867 32.750 -22.136 1.00 54.51 O HETATM 1160 O HOH A 538 -19.778 42.704 -2.919 1.00 59.64 O HETATM 1161 O HOH A 539 -21.536 13.508 -11.035 1.00 53.79 O HETATM 1162 O HOH A 540 -39.221 20.365 -24.679 1.00 65.50 O HETATM 1163 O HOH A 541 -21.719 42.374 -0.662 1.00 58.12 O HETATM 1164 O HOH A 542 -22.396 27.118 -0.045 1.00 65.78 O HETATM 1165 O HOH A 543 -11.346 42.190 -1.591 1.00 64.55 O HETATM 1166 O HOH A 544 -35.631 34.810 -27.198 1.00 77.31 O HETATM 1167 O HOH A 545 -8.044 40.729 0.270 1.00 61.40 O HETATM 1168 O HOH A 546 -35.124 41.806 -19.574 1.00 70.89 O HETATM 1169 O HOH A 547 -20.976 11.310 -10.639 1.00 56.78 O HETATM 1170 O HOH A 548 -37.616 40.246 -18.229 1.00 51.50 O HETATM 1171 O HOH A 549 -7.723 15.619 -7.151 1.00 63.55 O HETATM 1172 O HOH A 550 -6.316 28.048 1.772 1.00 68.36 O HETATM 1173 O HOH A 551 3.922 13.876 -6.217 1.00 65.48 O HETATM 1174 O HOH A 552 -24.858 41.699 -1.323 1.00 58.52 O HETATM 1175 O HOH A 553 -24.979 9.904 -12.305 1.00 60.00 O HETATM 1176 O HOH A 554 -21.412 37.089 -21.639 0.50 65.01 O HETATM 1177 O HOH A 555 -31.197 40.285 -16.172 1.00 44.70 O HETATM 1178 O HOH A 556 -18.419 46.733 -3.199 1.00 67.11 O HETATM 1179 O HOH A 557 -21.312 45.649 -17.513 1.00 62.58 O HETATM 1180 O HOH A 558 -3.659 17.390 -6.557 1.00 74.77 O HETATM 1181 O HOH A 559 -20.623 47.426 -12.309 1.00 65.42 O HETATM 1182 O HOH A 560 -32.279 27.852 -28.886 1.00 46.19 O HETATM 1183 O HOH A 561 -19.816 11.318 -13.090 1.00 53.92 O HETATM 1184 O HOH A 562 -18.078 52.211 -15.379 1.00 81.75 O HETATM 1185 O HOH A 563 -23.986 15.982 -25.278 1.00 62.40 O HETATM 1186 O HOH A 564 -8.518 43.725 -14.343 1.00 63.44 O HETATM 1187 O HOH A 565 -12.102 46.250 -14.924 1.00 58.04 O HETATM 1188 O HOH A 566 -2.283 25.295 -6.317 1.00 57.75 O HETATM 1189 O HOH A 567 -37.774 35.931 -24.469 1.00 71.58 O HETATM 1190 O HOH A 568 -29.474 37.066 -22.831 1.00 70.92 O HETATM 1191 O HOH A 569 -21.502 40.798 -17.011 1.00 62.96 O CONECT 59 65 CONECT 65 59 66 CONECT 66 65 67 68 CONECT 67 66 70 CONECT 68 66 69 74 CONECT 69 68 CONECT 70 67 71 CONECT 71 70 72 73 CONECT 72 71 CONECT 73 71 CONECT 74 68 CONECT 554 557 CONECT 557 554 558 CONECT 558 557 559 560 CONECT 559 558 562 CONECT 560 558 561 566 CONECT 561 560 CONECT 562 559 563 CONECT 563 562 564 565 CONECT 564 563 CONECT 565 563 CONECT 566 560 CONECT 1022 1149 1158 CONECT 1149 1022 CONECT 1158 1022 END