USER MOD reduce.3.24.130724 H: found=0, std=0, add=1518, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSCRIPTION REGULATOR 22-JAN-10 3LHR TITLE CRYSTAL STRUCTURE OF THE SCAN DOMAIN FROM HUMAN ZNF24 COMPND MOL_ID: 1; COMPND 2 MOLECULE: ZINC FINGER PROTEIN 24; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: SCAN BOX DOMAIN; COMPND 5 SYNONYM: ZINC FINGER PROTEIN 191, ZINC FINGER PROTEIN KOX17, RETINOI COMPND 6 ACID SUPPRESSION PROTEIN A, RSG-A, ZINC FINGER AND SCAN DOMAIN- COMPND 7 CONTAINING PROTEIN 3; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: KOX17, ZNF191, ZNF24, ZSCAN3; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: SG13009[PREP4]; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PQE30 KEYWDS SCAN DOMAIN, PROTEIN STRUCTURE INITIATIVE, CENTER FOR EUKARYOTIC KEYWDS 2 STRUCTURAL GENOMICS, PSI-2, CESG, NUCLEUS, PHOSPHOPROTEIN, KEYWDS 3 REPRESSOR, TRANSCRIPTION, TRANSCRIPTION REGULATION, TRANSCRIPTION KEYWDS 4 REGULATOR EXPDTA X-RAY DIFFRACTION AUTHOR B.F.VOLKMAN,F.C.PETERSON,C.A.BINGMAN,G.N.PHILLIPS JR.,CENTER FOR AUTHOR 2 EUKARYOTIC STRUCTURAL GENOMICS (CESG) REVDAT 2 30-JAN-13 3LHR 1 AUTHOR JRNL VERSN REVDAT 1 12-MAY-10 3LHR 0 JRNL AUTH B.F.VOLKMAN,F.C.PETERSON,C.A.BINGMAN,G.N.PHILLIPS JR. JRNL TITL CRYSTAL STRUCTURE OF THE SCAN DOMAIN FROM HUMAN ZNF24 JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.90 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.5.0109 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) : 1.90 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 33.73 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.7 REMARK 3 NUMBER OF REFLECTIONS : 15873 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) : 0.184 REMARK 3 R VALUE (WORKING SET) : 0.182 REMARK 3 FREE R VALUE : 0.243 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 793 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) : 1.90 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.95 REMARK 3 REFLECTION IN BIN (WORKING SET) : 959 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 86.56 REMARK 3 BIN R VALUE (WORKING SET) : 0.2500 REMARK 3 BIN FREE R VALUE SET COUNT : 52 REMARK 3 BIN FREE R VALUE : 0.3750 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1537 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 15 REMARK 3 SOLVENT ATOMS : 112 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 29.16 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.04000 REMARK 3 B22 (A**2) : -0.16000 REMARK 3 B33 (A**2) : 0.11000 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): 0.158 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.158 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.100 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.299 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.957 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.922 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1600 ; 0.024 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2172 ; 1.861 ; 1.972 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 189 ; 5.147 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 92 ;33.416 ;24.239 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 276 ;13.720 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 16 ;18.052 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 232 ; 0.133 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1258 ; 0.011 ; 0.021 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL 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): 939 ; 1.401 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1534 ; 2.461 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 661 ; 3.902 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 635 ; 6.308 ; 4.500 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 : 1.40 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 U VALUES : REFINED INDIVIDUALLY REMARK 4 REMARK 4 3LHR COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-FEB-10. REMARK 100 THE RCSB ID CODE IS RCSB057292. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 24-AUG-06 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 23-ID-D REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : SILICON <111> REMARK 200 OPTICS : SILICON <111> MONOCHROMATOR, KB REMARK 200 MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 300 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL REMARK 200 DATA SCALING SOFTWARE : HKL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 15875 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.3 REMARK 200 DATA REDUNDANCY : 13.300 REMARK 200 R MERGE (I) : 0.08200 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 12.3000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.97 REMARK 200 COMPLETENESS FOR SHELL (%) : 76.5 REMARK 200 DATA REDUNDANCY IN SHELL : 6.40 REMARK 200 R MERGE FOR SHELL (I) : 0.45600 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: SHARP REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 45.21 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.24 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PROTEIN SOLUTION AT 1.5 MM REMARK 280 CONCENTRATION WAS MIXED 1:1 WITH A RESERVOIR SOLUTION COMPOSED OF REMARK 280 100 MM HEPES BUFFER, PH 7.5, 40 MM MGCL2, 24% MEPEG 2000, 2 MM REMARK 280 THIMEROSAL. CRYSTALS WERE CRYOPROTECTED WITH RESERVOIR SOLUTION REMARK 280 SUPPLEMENTED WITH 10% PEG 400, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 291K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z 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 -1.000000 0.000000 0.000000 21.52750 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 45.65050 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 25.01450 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 45.65050 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 21.52750 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 25.01450 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 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: 4410 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 10440 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -27.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 ASP A 93 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 ARG A 31 NE - CZ - NH2 ANGL. DEV. = -3.5 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 EMC A 96 HG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 34 SG REMARK 620 2 EMC A 96 C1 126.0 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 EMC A 97 HG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 34 SG REMARK 620 2 EMC A 97 C1 159.3 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG A 94 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A 141 O REMARK 620 2 HOH B 137 O 174.6 REMARK 620 3 HOH A 139 O 84.3 92.8 REMARK 620 4 HOH B 148 O 86.8 98.1 98.7 REMARK 620 5 HOH A 132 O 80.6 94.7 85.7 166.2 REMARK 620 6 HOH A 109 O 85.2 97.8 169.5 80.0 93.3 REMARK 620 N 1 2 3 4 5 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 94 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 95 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EMC A 96 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EMC A 97 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PEG B 94 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2FI2 RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF THE SCAN DOMAIN OF HUMAN MZF1 REMARK 900 RELATED ID: GO.110986 RELATED DB: TARGETDB DBREF 3LHR A 3 93 UNP P17028 ZNF24_HUMAN 46 136 DBREF 3LHR B 3 93 UNP P17028 ZNF24_HUMAN 46 136 SEQADV 3LHR GLY A 1 UNP P17028 EXPRESSION TAG SEQADV 3LHR SER A 2 UNP P17028 EXPRESSION TAG SEQADV 3LHR GLY B 1 UNP P17028 EXPRESSION TAG SEQADV 3LHR SER B 2 UNP P17028 EXPRESSION TAG SEQRES 1 A 93 GLY SER PRO ASP PRO GLU ILE PHE ARG GLN ARG PHE ARG SEQRES 2 A 93 GLN PHE GLY TYR GLN ASP SER PRO GLY PRO ARG GLU ALA SEQRES 3 A 93 VAL SER GLN LEU ARG GLU LEU CYS ARG LEU TRP LEU ARG SEQRES 4 A 93 PRO GLU THR HIS THR LYS GLU GLN ILE LEU GLU LEU VAL SEQRES 5 A 93 VAL LEU GLU GLN PHE VAL ALA ILE LEU PRO LYS GLU LEU SEQRES 6 A 93 GLN THR TRP VAL ARG ASP HIS HIS PRO GLU ASN GLY GLU SEQRES 7 A 93 GLU ALA VAL THR VAL LEU GLU ASP LEU GLU SER GLU LEU SEQRES 8 A 93 ASP ASP SEQRES 1 B 93 GLY SER PRO ASP PRO GLU ILE PHE ARG GLN ARG PHE ARG SEQRES 2 B 93 GLN PHE GLY TYR GLN ASP SER PRO GLY PRO ARG GLU ALA SEQRES 3 B 93 VAL SER GLN LEU ARG GLU LEU CYS ARG LEU TRP LEU ARG SEQRES 4 B 93 PRO GLU THR HIS THR LYS GLU GLN ILE LEU GLU LEU VAL SEQRES 5 B 93 VAL LEU GLU GLN PHE VAL ALA ILE LEU PRO LYS GLU LEU SEQRES 6 B 93 GLN THR TRP VAL ARG ASP HIS HIS PRO GLU ASN GLY GLU SEQRES 7 B 93 GLU ALA VAL THR VAL LEU GLU ASP LEU GLU SER GLU LEU SEQRES 8 B 93 ASP ASP HET MG A 94 1 HET CL A 95 1 HET EMC A 96 3 HET EMC A 97 3 HET PEG B 94 7 HETNAM MG MAGNESIUM ION HETNAM CL CHLORIDE ION HETNAM EMC ETHYL MERCURY ION HETNAM PEG DI(HYDROXYETHYL)ETHER FORMUL 3 MG MG 2+ FORMUL 4 CL CL 1- FORMUL 5 EMC 2(C2 H5 HG 1+) FORMUL 7 PEG C4 H10 O3 FORMUL 8 HOH *112(H2 O) HELIX 1 1 PRO A 3 PHE A 15 1 13 HELIX 2 2 GLY A 16 SER A 20 5 5 HELIX 3 3 GLY A 22 ARG A 39 1 18 HELIX 4 4 THR A 44 ILE A 60 1 17 HELIX 5 5 PRO A 62 HIS A 72 1 11 HELIX 6 6 ASN A 76 ASP A 92 1 17 HELIX 7 7 ASP B 4 PHE B 15 1 12 HELIX 8 8 GLY B 16 SER B 20 5 5 HELIX 9 9 GLY B 22 ARG B 39 1 18 HELIX 10 10 THR B 44 LEU B 61 1 18 HELIX 11 11 PRO B 62 HIS B 72 1 11 HELIX 12 12 ASN B 76 ASP B 93 1 18 LINK SG CYS A 34 HG EMC A 96 1555 1555 2.52 LINK SG CYS B 34 HG EMC A 97 1555 1555 2.61 LINK MG MG A 94 O HOH A 141 1555 1555 1.93 LINK MG MG A 94 O HOH B 137 1555 1555 1.99 LINK MG MG A 94 O HOH A 139 1555 1555 2.03 LINK MG MG A 94 O HOH B 148 1555 1555 2.07 LINK MG MG A 94 O HOH A 132 1555 1555 2.07 LINK MG MG A 94 O HOH A 109 1555 1555 2.26 SITE *** AC1 6 HOH A 109 HOH A 132 HOH A 139 HOH A 141 SITE *** AC1 6 HOH B 137 HOH B 148 SITE *** AC2 2 ARG A 24 SER B 2 SITE *** AC3 6 ARG A 31 CYS A 34 ARG A 35 LEU B 49 SITE *** AC3 6 GLU B 50 VAL B 53 SITE *** AC4 6 LEU A 49 GLU A 50 VAL A 53 ARG B 31 SITE *** AC4 6 CYS B 34 ARG B 35 SITE *** AC5 5 ARG A 13 HOH A 112 ARG B 13 GLU B 55 SITE *** AC5 5 HOH B 102 CRYST1 43.055 50.029 91.301 90.00 90.00 90.00 P 21 21 21 8 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 0.023226 0.000000 0.000000 0.00000 SCALE2 0.000000 0.019988 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010953 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 Single : A 1 GLY N :NH3+ -171:sc= 1.16 (180deg=1.11) USER MOD Single : A 2 SER OG : rot 180:sc= 0.149 USER MOD Single : A 10 GLN : amide:sc= -0.228 K(o=-0.23,f=-0.73) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 17 TYR OH : rot 160:sc= 1.74 USER MOD Single : A 18 GLN : amide:sc= -1.5 K(o=-1.5,f=-4.3!) USER MOD Single : A 20 SER OG : rot -84:sc= 1.1 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.13) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HE2:sc= 0.963 K(o=0.96,f=-3.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.205 USER MOD Single : A 45 LYS NZ :NH3+ -153:sc= 0.452 (180deg=0.348) USER MOD Single : A 47 GLN : amide:sc= 0.21 K(o=0.21,f=-6.2!) USER MOD Single : A 56 GLN : amide:sc= 1.14 K(o=1.1,f=-3.1!) USER MOD Single : A 63 LYS NZ :NH3+ 174:sc=-0.00469 (180deg=-0.0884) USER MOD Single : A 66 GLN : amide:sc= 0.0869 K(o=0.087,f=-8.1!) USER MOD Single : A 67 THR OG1 : rot 83:sc= 0.248 USER MOD Single : A 72 HIS : no HE2:sc= 0.725 K(o=0.73,f=-2.7!) USER MOD Single : A 73 HIS : no HD1:sc= 0.00504 X(o=0.005,f=-0.25) USER MOD Single : A 76 ASN : amide:sc= -0.359 K(o=-0.36,f=-5.8!) USER MOD Single : A 82 THR OG1 : rot 81:sc= 0.259 USER MOD Single : A 89 SER OG A: rot 79:sc= 0.0249 USER MOD Single : A 89 SER OG B: rot -108:sc= 0.432 USER MOD Single : B 1 GLY N :NH3+ -131:sc= 0.0448 (180deg=0) USER MOD Single : B 2 SER OG : rot -89:sc= 0.0692 USER MOD Single : B 10 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : B 20 SER OG : rot 110:sc= -0.0342 USER MOD Single : B 28 SER OG A: rot 180:sc= 0 USER MOD Single : B 28 SER OG B: rot 180:sc= 0 USER MOD Single : B 29 GLN : amide:sc=-0.00294 K(o=-0.0029,f=-0.82) USER MOD Single : B 42 THR OG1 : rot 180:sc= 0 USER MOD Single : B 43 HIS : no HE2:sc= 0.775 K(o=0.78,f=-2.6!) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0.078 USER MOD Single : B 45 LYS NZ :NH3+ -171:sc= 1.97 (180deg=1.8) USER MOD Single : B 47 GLN : amide:sc= 0.325 K(o=0.33,f=-5.4!) USER MOD Single : B 56 GLN : amide:sc= 2.52 K(o=2.5,f=-1.7!) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 GLN : amide:sc= 0.447 X(o=0.45,f=-0.009) USER MOD Single : B 67 THR OG1 : rot 156:sc= 1.29 USER MOD Single : B 72 HIS : no HE2:sc= 0.851 K(o=0.85,f=-2.9!) USER MOD Single : B 73 HIS A: no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 73 HIS B: no HD1:sc= -1.63! C(o=-1.6!,f=-2!) USER MOD Single : B 76 ASN : amide:sc= 1.52 K(o=1.5,f=-2.2!) USER MOD Single : B 82 THR OG1 : rot -24:sc= 0.0277 USER MOD Single : B 89 SER OG : rot 180:sc= 0 USER MOD Single : B 94 PEG O1 : rot 106:sc= 0.00346 USER MOD Single : B 94 PEG O4 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.405 33.765 31.423 1.00 46.04 N ATOM 2 CA GLY A 1 -1.809 33.518 31.005 1.00 45.82 C ATOM 3 C GLY A 1 -2.097 32.036 30.843 1.00 44.88 C ATOM 4 O GLY A 1 -1.455 31.199 31.476 1.00 45.83 O ATOM 0 H1 GLY A 1 -0.305 34.624 31.635 1.00 46.04 H new ATOM 0 H2 GLY A 1 -0.213 33.261 32.131 1.00 46.04 H new ATOM 0 H3 GLY A 1 0.145 33.558 30.754 1.00 46.04 H new ATOM 0 HA2 GLY A 1 -2.414 33.895 31.663 1.00 45.82 H new ATOM 0 HA3 GLY A 1 -1.982 33.975 30.167 1.00 45.82 H new ATOM 5 N SER A 2 -3.101 31.729 30.028 1.00 43.77 N ATOM 6 CA SER A 2 -3.598 30.361 29.784 1.00 42.08 C ATOM 7 C SER A 2 -2.510 29.458 29.166 1.00 40.93 C ATOM 8 O SER A 2 -1.720 29.912 28.342 1.00 42.38 O ATOM 9 CB SER A 2 -4.834 30.439 28.844 1.00 41.52 C ATOM 10 OG SER A 2 -5.251 29.160 28.420 1.00 38.66 O ATOM 0 H SER A 2 -3.531 32.326 29.583 1.00 43.77 H new ATOM 0 HA SER A 2 -3.848 29.965 30.633 1.00 42.08 H new ATOM 0 HB2 SER A 2 -5.564 30.881 29.305 1.00 41.52 H new ATOM 0 HB3 SER A 2 -4.618 30.982 28.070 1.00 41.52 H new ATOM 0 HG SER A 2 -5.919 29.236 27.917 1.00 38.66 H new ATOM 11 N PRO A 3 -2.460 28.189 29.566 1.00 39.22 N ATOM 12 CA PRO A 3 -1.554 27.283 28.908 1.00 37.80 C ATOM 13 C PRO A 3 -2.067 26.804 27.541 1.00 36.11 C ATOM 14 O PRO A 3 -1.296 26.223 26.773 1.00 33.74 O ATOM 15 CB PRO A 3 -1.460 26.083 29.874 1.00 38.22 C ATOM 16 CG PRO A 3 -2.202 26.477 31.080 1.00 39.73 C ATOM 17 CD PRO A 3 -3.177 27.534 30.670 1.00 39.83 C ATOM 0 HA PRO A 3 -0.705 27.716 28.726 1.00 37.80 H new ATOM 0 HB2 PRO A 3 -1.842 25.285 29.476 1.00 38.22 H new ATOM 0 HB3 PRO A 3 -0.536 25.879 30.086 1.00 38.22 H new ATOM 0 HG2 PRO A 3 -2.664 25.715 31.463 1.00 39.73 H new ATOM 0 HG3 PRO A 3 -1.597 26.813 31.760 1.00 39.73 H new ATOM 0 HD2 PRO A 3 -4.023 27.157 30.382 1.00 39.83 H new ATOM 0 HD3 PRO A 3 -3.372 28.150 31.394 1.00 39.83 H new ATOM 18 N ASP A 4 -3.336 27.065 27.229 1.00 33.68 N ATOM 19 CA ASP A 4 -3.901 26.494 26.011 1.00 34.34 C ATOM 20 C ASP A 4 -3.386 27.062 24.658 1.00 33.43 C ATOM 21 O ASP A 4 -3.247 26.272 23.681 1.00 35.56 O ATOM 22 CB ASP A 4 -5.436 26.488 26.055 1.00 34.08 C ATOM 23 CG ASP A 4 -5.997 25.492 27.089 1.00 39.13 C ATOM 24 OD1 ASP A 4 -5.339 24.462 27.471 1.00 39.94 O ATOM 25 OD2 ASP A 4 -7.130 25.746 27.546 1.00 42.46 O ATOM 0 H ASP A 4 -3.870 27.554 27.693 1.00 33.68 H new ATOM 0 HA ASP A 4 -3.562 25.585 26.019 1.00 34.34 H new ATOM 0 HB2 ASP A 4 -5.753 27.380 26.265 1.00 34.08 H new ATOM 0 HB3 ASP A 4 -5.780 26.264 25.176 1.00 34.08 H new ATOM 26 N PRO A 5 -3.168 28.407 24.546 1.00 33.22 N ATOM 27 CA PRO A 5 -2.705 28.875 23.188 1.00 32.00 C ATOM 28 C PRO A 5 -1.407 28.226 22.749 1.00 32.52 C ATOM 29 O PRO A 5 -1.263 27.911 21.589 1.00 33.74 O ATOM 30 CB PRO A 5 -2.487 30.359 23.393 1.00 32.44 C ATOM 31 CG PRO A 5 -3.485 30.736 24.515 1.00 33.31 C ATOM 32 CD PRO A 5 -3.360 29.570 25.458 1.00 32.63 C ATOM 0 HA PRO A 5 -3.348 28.651 22.497 1.00 32.00 H new ATOM 0 HB2 PRO A 5 -1.572 30.551 23.653 1.00 32.44 H new ATOM 0 HB3 PRO A 5 -2.662 30.859 22.580 1.00 32.44 H new ATOM 0 HG2 PRO A 5 -3.250 31.574 24.942 1.00 33.31 H new ATOM 0 HG3 PRO A 5 -4.389 30.834 24.178 1.00 33.31 H new ATOM 0 HD2 PRO A 5 -2.609 29.678 26.063 1.00 32.63 H new ATOM 0 HD3 PRO A 5 -4.153 29.467 26.007 1.00 32.63 H new ATOM 33 N GLU A 6 -0.464 27.998 23.671 1.00 31.17 N ATOM 34 CA GLU A 6 0.731 27.274 23.309 1.00 30.33 C ATOM 35 C GLU A 6 0.423 25.904 22.689 1.00 30.13 C ATOM 36 O GLU A 6 1.094 25.466 21.752 1.00 29.71 O ATOM 37 CB GLU A 6 1.640 27.155 24.511 1.00 30.59 C ATOM 38 CG GLU A 6 2.918 26.409 24.213 1.00 30.12 C ATOM 39 CD GLU A 6 3.822 27.090 23.181 1.00 27.42 C ATOM 40 OE1 GLU A 6 3.616 28.273 22.737 1.00 29.25 O ATOM 41 OE2 GLU A 6 4.794 26.384 22.817 1.00 31.68 O ATOM 0 H GLU A 6 -0.505 28.253 24.491 1.00 31.17 H new ATOM 0 HA GLU A 6 1.190 27.779 22.619 1.00 30.33 H new ATOM 0 HB2 GLU A 6 1.858 28.043 24.835 1.00 30.59 H new ATOM 0 HB3 GLU A 6 1.166 26.701 25.225 1.00 30.59 H new ATOM 0 HG2 GLU A 6 3.415 26.298 25.039 1.00 30.12 H new ATOM 0 HG3 GLU A 6 2.694 25.520 23.895 1.00 30.12 H new ATOM 42 N ILE A 7 -0.585 25.206 23.221 1.00 28.79 N ATOM 43 CA ILE A 7 -1.031 23.956 22.599 1.00 27.50 C ATOM 44 C ILE A 7 -1.416 24.095 21.108 1.00 25.27 C ATOM 45 O ILE A 7 -1.028 23.285 20.298 1.00 23.84 O ATOM 46 CB ILE A 7 -2.209 23.317 23.330 1.00 26.77 C ATOM 47 CG1 ILE A 7 -1.726 22.926 24.751 1.00 30.21 C ATOM 48 CG2 ILE A 7 -2.624 22.054 22.591 1.00 29.22 C ATOM 49 CD1 ILE A 7 -2.832 22.649 25.738 1.00 36.61 C ATOM 0 H ILE A 7 -1.017 25.434 23.929 1.00 28.79 H new ATOM 0 HA ILE A 7 -0.250 23.385 22.666 1.00 27.50 H new ATOM 0 HB ILE A 7 -2.959 23.931 23.375 1.00 26.77 H new ATOM 0 HG12 ILE A 7 -1.165 22.138 24.683 1.00 30.21 H new ATOM 0 HG13 ILE A 7 -1.170 23.641 25.099 1.00 30.21 H new ATOM 0 HG21 ILE A 7 -3.373 21.642 23.050 1.00 29.22 H new ATOM 0 HG22 ILE A 7 -2.885 22.280 21.685 1.00 29.22 H new ATOM 0 HG23 ILE A 7 -1.879 21.433 22.567 1.00 29.22 H new ATOM 0 HD11 ILE A 7 -2.448 22.413 26.597 1.00 36.61 H new ATOM 0 HD12 ILE A 7 -3.383 23.441 25.837 1.00 36.61 H new ATOM 0 HD13 ILE A 7 -3.377 21.915 25.415 1.00 36.61 H new ATOM 50 N PHE A 8 -2.247 25.062 20.791 1.00 24.11 N ATOM 51 CA PHE A 8 -2.764 25.160 19.458 1.00 23.93 C ATOM 52 C PHE A 8 -1.657 25.641 18.512 1.00 23.17 C ATOM 53 O PHE A 8 -1.602 25.254 17.338 1.00 22.55 O ATOM 54 CB PHE A 8 -3.889 26.154 19.461 1.00 25.49 C ATOM 55 CG PHE A 8 -5.045 25.749 20.361 1.00 34.16 C ATOM 56 CD1 PHE A 8 -5.669 24.519 20.167 1.00 38.27 C ATOM 57 CD2 PHE A 8 -5.468 26.574 21.400 1.00 39.16 C ATOM 58 CE1 PHE A 8 -6.719 24.097 21.007 1.00 46.08 C ATOM 59 CE2 PHE A 8 -6.541 26.168 22.261 1.00 44.42 C ATOM 60 CZ PHE A 8 -7.151 24.939 22.061 1.00 45.92 C ATOM 0 H PHE A 8 -2.522 25.669 21.334 1.00 24.11 H new ATOM 0 HA PHE A 8 -3.082 24.294 19.157 1.00 23.93 H new ATOM 0 HB2 PHE A 8 -3.550 27.016 19.748 1.00 25.49 H new ATOM 0 HB3 PHE A 8 -4.216 26.266 18.555 1.00 25.49 H new ATOM 0 HD1 PHE A 8 -5.388 23.968 19.473 1.00 38.27 H new ATOM 0 HD2 PHE A 8 -5.052 27.394 21.537 1.00 39.16 H new ATOM 0 HE1 PHE A 8 -7.125 23.272 20.870 1.00 46.08 H new ATOM 0 HE2 PHE A 8 -6.826 26.725 22.949 1.00 44.42 H new ATOM 0 HZ PHE A 8 -7.844 24.667 22.619 1.00 45.92 H new ATOM 61 N ARG A 9 -0.805 26.516 19.040 1.00 22.09 N ATOM 62 CA ARG A 9 0.290 26.989 18.219 1.00 21.11 C ATOM 63 C ARG A 9 1.180 25.805 17.913 1.00 19.98 C ATOM 64 O ARG A 9 1.641 25.676 16.772 1.00 18.47 O ATOM 65 CB ARG A 9 1.081 28.056 18.977 1.00 17.04 C ATOM 66 CG ARG A 9 2.291 28.584 18.148 1.00 17.70 C ATOM 67 CD ARG A 9 3.377 29.350 19.078 1.00 18.99 C ATOM 68 NE ARG A 9 4.198 28.453 19.906 1.00 22.83 N ATOM 69 CZ ARG A 9 5.203 27.697 19.443 1.00 25.33 C ATOM 70 NH1 ARG A 9 5.573 27.765 18.165 1.00 17.16 N ATOM 71 NH2 ARG A 9 5.911 26.917 20.279 1.00 28.33 N ATOM 0 H ARG A 9 -0.843 26.834 19.838 1.00 22.09 H new ATOM 0 HA ARG A 9 -0.044 27.382 17.397 1.00 21.11 H new ATOM 0 HB2 ARG A 9 0.494 28.796 19.199 1.00 17.04 H new ATOM 0 HB3 ARG A 9 1.401 27.686 19.815 1.00 17.04 H new ATOM 0 HG2 ARG A 9 2.721 27.841 17.695 1.00 17.70 H new ATOM 0 HG3 ARG A 9 1.972 29.189 17.460 1.00 17.70 H new ATOM 0 HD2 ARG A 9 3.962 29.875 18.510 1.00 18.99 H new ATOM 0 HD3 ARG A 9 2.910 29.972 19.657 1.00 18.99 H new ATOM 0 HE ARG A 9 4.020 28.411 20.746 1.00 22.83 H new ATOM 0 HH11 ARG A 9 5.166 28.298 17.627 1.00 17.16 H new ATOM 0 HH12 ARG A 9 6.219 27.276 17.878 1.00 17.16 H new ATOM 0 HH21 ARG A 9 5.720 26.901 21.117 1.00 28.33 H new ATOM 0 HH22 ARG A 9 6.555 26.434 19.975 1.00 28.33 H new ATOM 72 N GLN A 10 1.486 24.957 18.904 1.00 20.65 N ATOM 73 CA GLN A 10 2.456 23.840 18.654 1.00 22.55 C ATOM 74 C GLN A 10 1.813 22.857 17.657 1.00 20.98 C ATOM 75 O GLN A 10 2.472 22.323 16.777 1.00 20.86 O ATOM 76 CB GLN A 10 2.883 23.040 19.930 1.00 24.50 C ATOM 77 CG GLN A 10 3.781 23.759 20.902 1.00 31.29 C ATOM 78 CD GLN A 10 4.062 22.894 22.133 1.00 39.83 C ATOM 79 OE1 GLN A 10 4.056 21.660 22.044 1.00 45.73 O ATOM 80 NE2 GLN A 10 4.292 23.534 23.283 1.00 40.11 N ATOM 0 H GLN A 10 1.166 24.995 19.701 1.00 20.65 H new ATOM 0 HA GLN A 10 3.264 24.253 18.312 1.00 22.55 H new ATOM 0 HB2 GLN A 10 2.080 22.769 20.402 1.00 24.50 H new ATOM 0 HB3 GLN A 10 3.332 22.229 19.644 1.00 24.50 H new ATOM 0 HG2 GLN A 10 4.617 23.988 20.466 1.00 31.29 H new ATOM 0 HG3 GLN A 10 3.366 24.592 21.176 1.00 31.29 H new ATOM 0 HE21 GLN A 10 4.288 24.394 23.305 1.00 40.11 H new ATOM 0 HE22 GLN A 10 4.444 23.086 24.001 1.00 40.11 H new ATOM 81 N ARG A 11 0.493 22.687 17.744 1.00 23.03 N ATOM 82 CA ARG A 11 -0.200 21.824 16.782 0.50 19.84 C ATOM 83 C ARG A 11 -0.122 22.377 15.317 1.00 20.94 C ATOM 84 O ARG A 11 0.155 21.613 14.350 1.00 20.11 O ATOM 85 CB ARG A 11 -1.644 21.711 17.233 1.00 22.90 C ATOM 86 CG ARG A 11 -2.557 20.975 16.235 1.00 28.48 C ATOM 87 CD ARG A 11 -2.200 19.495 16.121 1.00 35.41 C ATOM 88 NE ARG A 11 -3.161 18.916 15.196 1.00 36.75 N ATOM 89 CZ ARG A 11 -2.867 18.008 14.282 1.00 38.92 C ATOM 90 NH1 ARG A 11 -1.609 17.531 14.151 1.00 35.82 N ATOM 91 NH2 ARG A 11 -3.834 17.616 13.490 1.00 34.58 N ATOM 0 H ARG A 11 -0.011 23.052 18.337 1.00 23.03 H new ATOM 0 HA ARG A 11 0.231 20.955 16.763 0.50 19.84 H new ATOM 0 HB2 ARG A 11 -1.672 21.248 18.085 1.00 22.90 H new ATOM 0 HB3 ARG A 11 -1.997 22.602 17.383 1.00 22.90 H new ATOM 0 HG2 ARG A 11 -3.481 21.064 16.517 1.00 28.48 H new ATOM 0 HG3 ARG A 11 -2.485 21.393 15.363 1.00 28.48 H new ATOM 0 HD2 ARG A 11 -1.294 19.381 15.795 1.00 35.41 H new ATOM 0 HD3 ARG A 11 -2.247 19.060 16.987 1.00 35.41 H new ATOM 0 HE ARG A 11 -3.977 19.183 15.247 1.00 36.75 H new ATOM 0 HH11 ARG A 11 -0.984 17.818 14.667 1.00 35.82 H new ATOM 0 HH12 ARG A 11 -1.433 16.940 13.551 1.00 35.82 H new ATOM 0 HH21 ARG A 11 -4.622 17.948 13.577 1.00 34.58 H new ATOM 0 HH22 ARG A 11 -3.680 17.026 12.883 1.00 34.58 H new ATOM 92 N PHE A 12 -0.312 23.686 15.182 1.00 18.08 N ATOM 93 CA PHE A 12 -0.108 24.359 13.893 1.00 20.59 C ATOM 94 C PHE A 12 1.318 24.138 13.371 1.00 21.04 C ATOM 95 O PHE A 12 1.516 23.841 12.203 1.00 23.30 O ATOM 96 CB PHE A 12 -0.393 25.848 14.086 1.00 18.58 C ATOM 97 CG PHE A 12 -0.134 26.706 12.871 1.00 20.84 C ATOM 98 CD1 PHE A 12 -0.658 26.392 11.624 1.00 13.50 C ATOM 99 CD2 PHE A 12 0.633 27.851 13.008 1.00 18.20 C ATOM 100 CE1 PHE A 12 -0.416 27.191 10.487 1.00 18.11 C ATOM 101 CE2 PHE A 12 0.887 28.676 11.855 1.00 17.74 C ATOM 102 CZ PHE A 12 0.329 28.342 10.630 1.00 16.49 C ATOM 0 H PHE A 12 -0.559 24.206 15.821 1.00 18.08 H new ATOM 0 HA PHE A 12 -0.711 23.988 13.230 1.00 20.59 H new ATOM 0 HB2 PHE A 12 -1.320 25.955 14.350 1.00 18.58 H new ATOM 0 HB3 PHE A 12 0.151 26.176 14.819 1.00 18.58 H new ATOM 0 HD1 PHE A 12 -1.185 25.631 11.536 1.00 13.50 H new ATOM 0 HD2 PHE A 12 0.981 28.085 13.838 1.00 18.20 H new ATOM 0 HE1 PHE A 12 -0.753 26.946 9.656 1.00 18.11 H new ATOM 0 HE2 PHE A 12 1.424 29.431 11.932 1.00 17.74 H new ATOM 0 HZ PHE A 12 0.459 28.900 9.898 1.00 16.49 H new ATOM 103 N ARG A 13 2.341 24.351 14.190 1.00 20.31 N ATOM 104 CA ARG A 13 3.708 24.167 13.771 1.00 21.32 C ATOM 105 C ARG A 13 4.191 22.695 13.554 1.00 23.28 C ATOM 106 O ARG A 13 5.113 22.436 12.730 1.00 24.92 O ATOM 107 CB ARG A 13 4.677 24.900 14.725 1.00 22.22 C ATOM 108 CG ARG A 13 4.489 26.417 14.811 1.00 22.89 C ATOM 109 CD ARG A 13 4.651 27.097 13.413 1.00 20.28 C ATOM 110 NE ARG A 13 4.440 28.558 13.593 1.00 22.26 N ATOM 111 CZ ARG A 13 4.261 29.384 12.581 1.00 19.27 C ATOM 112 NH1 ARG A 13 4.218 28.894 11.319 1.00 20.62 N ATOM 113 NH2 ARG A 13 4.043 30.675 12.821 1.00 20.55 N ATOM 0 H ARG A 13 2.254 24.607 15.006 1.00 20.31 H new ATOM 0 HA ARG A 13 3.722 24.558 12.883 1.00 21.32 H new ATOM 0 HB2 ARG A 13 4.577 24.526 15.614 1.00 22.22 H new ATOM 0 HB3 ARG A 13 5.586 24.717 14.441 1.00 22.22 H new ATOM 0 HG2 ARG A 13 3.609 26.615 15.168 1.00 22.89 H new ATOM 0 HG3 ARG A 13 5.136 26.789 15.430 1.00 22.89 H new ATOM 0 HD2 ARG A 13 5.534 26.923 13.050 1.00 20.28 H new ATOM 0 HD3 ARG A 13 4.009 26.736 12.782 1.00 20.28 H new ATOM 0 HE ARG A 13 4.434 28.878 14.391 1.00 22.26 H new ATOM 0 HH11 ARG A 13 4.307 28.050 11.182 1.00 20.62 H new ATOM 0 HH12 ARG A 13 4.102 29.427 10.654 1.00 20.62 H new ATOM 0 HH21 ARG A 13 4.020 30.964 13.631 1.00 20.55 H new ATOM 0 HH22 ARG A 13 3.925 31.220 12.166 1.00 20.55 H new ATOM 114 N GLN A 14 3.531 21.738 14.186 1.00 24.27 N ATOM 115 CA GLN A 14 3.928 20.328 14.158 1.00 24.61 C ATOM 116 C GLN A 14 3.185 19.464 13.137 1.00 25.28 C ATOM 117 O GLN A 14 3.613 18.339 12.817 1.00 24.02 O ATOM 118 CB GLN A 14 3.769 19.749 15.550 1.00 25.65 C ATOM 119 CG GLN A 14 4.879 20.314 16.465 1.00 33.80 C ATOM 120 CD GLN A 14 4.890 19.667 17.825 1.00 43.69 C ATOM 121 OE1 GLN A 14 3.991 18.870 18.168 1.00 49.77 O ATOM 122 NE2 GLN A 14 5.915 19.985 18.617 1.00 47.85 N ATOM 0 H GLN A 14 2.825 21.887 14.654 1.00 24.27 H new ATOM 0 HA GLN A 14 4.853 20.311 13.868 1.00 24.61 H new ATOM 0 HB2 GLN A 14 2.895 19.973 15.907 1.00 25.65 H new ATOM 0 HB3 GLN A 14 3.823 18.781 15.518 1.00 25.65 H new ATOM 0 HG2 GLN A 14 5.741 20.183 16.041 1.00 33.80 H new ATOM 0 HG3 GLN A 14 4.755 21.271 16.566 1.00 33.80 H new ATOM 0 HE21 GLN A 14 6.514 20.538 18.344 1.00 47.85 H new ATOM 0 HE22 GLN A 14 5.977 19.637 19.401 1.00 47.85 H new ATOM 123 N PHE A 15 2.088 19.995 12.631 1.00 24.90 N ATOM 124 CA PHE A 15 1.398 19.383 11.541 1.00 26.94 C ATOM 125 C PHE A 15 2.375 19.091 10.370 1.00 28.05 C ATOM 126 O PHE A 15 3.225 19.940 10.006 1.00 28.86 O ATOM 127 CB PHE A 15 0.183 20.240 11.156 1.00 26.65 C ATOM 128 CG PHE A 15 -0.631 19.655 10.039 1.00 29.23 C ATOM 129 CD1 PHE A 15 -1.571 18.687 10.298 1.00 27.98 C ATOM 130 CD2 PHE A 15 -0.408 20.066 8.706 1.00 30.12 C ATOM 131 CE1 PHE A 15 -2.332 18.120 9.249 1.00 29.18 C ATOM 132 CE2 PHE A 15 -1.156 19.510 7.657 1.00 29.29 C ATOM 133 CZ PHE A 15 -2.119 18.528 7.937 1.00 27.81 C ATOM 0 H PHE A 15 1.729 20.722 12.917 1.00 24.90 H new ATOM 0 HA PHE A 15 1.049 18.517 11.803 1.00 26.94 H new ATOM 0 HB2 PHE A 15 -0.384 20.353 11.935 1.00 26.65 H new ATOM 0 HB3 PHE A 15 0.488 21.123 10.896 1.00 26.65 H new ATOM 0 HD1 PHE A 15 -1.708 18.401 11.172 1.00 27.98 H new ATOM 0 HD2 PHE A 15 0.238 20.709 8.523 1.00 30.12 H new ATOM 0 HE1 PHE A 15 -2.975 17.475 9.437 1.00 29.18 H new ATOM 0 HE2 PHE A 15 -1.015 19.790 6.782 1.00 29.29 H new ATOM 0 HZ PHE A 15 -2.614 18.151 7.246 1.00 27.81 H new ATOM 134 N GLY A 16 2.336 17.850 9.880 1.00 28.17 N ATOM 135 CA GLY A 16 3.266 17.376 8.855 1.00 28.70 C ATOM 136 C GLY A 16 2.573 17.226 7.512 1.00 26.74 C ATOM 137 O GLY A 16 1.379 16.900 7.451 1.00 27.18 O ATOM 0 H GLY A 16 1.767 17.258 10.135 1.00 28.17 H new ATOM 0 HA2 GLY A 16 4.005 17.999 8.773 1.00 28.70 H new ATOM 0 HA3 GLY A 16 3.642 16.523 9.125 1.00 28.70 H new ATOM 138 N TYR A 17 3.320 17.470 6.438 1.00 26.79 N ATOM 139 CA TYR A 17 2.792 17.265 5.076 1.00 28.12 C ATOM 140 C TYR A 17 2.187 15.857 4.861 1.00 28.97 C ATOM 141 O TYR A 17 1.184 15.715 4.127 1.00 27.77 O ATOM 142 CB TYR A 17 3.906 17.481 4.064 1.00 28.29 C ATOM 143 CG TYR A 17 3.413 17.559 2.671 1.00 29.92 C ATOM 144 CD1 TYR A 17 2.693 18.673 2.246 1.00 29.98 C ATOM 145 CD2 TYR A 17 3.612 16.486 1.776 1.00 31.37 C ATOM 146 CE1 TYR A 17 2.214 18.757 0.945 1.00 32.31 C ATOM 147 CE2 TYR A 17 3.143 16.544 0.467 1.00 31.32 C ATOM 148 CZ TYR A 17 2.446 17.701 0.063 1.00 34.56 C ATOM 149 OH TYR A 17 1.967 17.813 -1.219 1.00 35.03 O ATOM 0 H TYR A 17 4.131 17.753 6.468 1.00 26.79 H new ATOM 0 HA TYR A 17 2.076 17.908 4.954 1.00 28.12 H new ATOM 0 HB2 TYR A 17 4.379 18.300 4.281 1.00 28.29 H new ATOM 0 HB3 TYR A 17 4.546 16.756 4.135 1.00 28.29 H new ATOM 0 HD1 TYR A 17 2.531 19.369 2.841 1.00 29.98 H new ATOM 0 HD2 TYR A 17 4.064 15.727 2.066 1.00 31.37 H new ATOM 0 HE1 TYR A 17 1.744 19.509 0.665 1.00 32.31 H new ATOM 0 HE2 TYR A 17 3.285 15.840 -0.124 1.00 31.32 H new ATOM 0 HH TYR A 17 2.377 17.277 -1.719 1.00 35.03 H new ATOM 150 N GLN A 18 2.744 14.839 5.525 1.00 29.69 N ATOM 151 CA GLN A 18 2.241 13.469 5.302 1.00 34.93 C ATOM 152 C GLN A 18 0.951 13.147 6.062 1.00 35.32 C ATOM 153 O GLN A 18 0.343 12.101 5.821 1.00 34.94 O ATOM 154 CB GLN A 18 3.295 12.383 5.583 1.00 36.00 C ATOM 155 CG GLN A 18 4.417 12.384 4.533 1.00 43.09 C ATOM 156 CD GLN A 18 3.913 11.927 3.162 1.00 50.53 C ATOM 157 OE1 GLN A 18 2.986 12.520 2.604 1.00 55.21 O ATOM 158 NE2 GLN A 18 4.508 10.847 2.625 1.00 53.35 N ATOM 0 H GLN A 18 3.390 14.910 6.089 1.00 29.69 H new ATOM 0 HA GLN A 18 2.032 13.455 4.355 1.00 34.93 H new ATOM 0 HB2 GLN A 18 3.677 12.524 6.463 1.00 36.00 H new ATOM 0 HB3 GLN A 18 2.866 11.513 5.596 1.00 36.00 H new ATOM 0 HG2 GLN A 18 4.790 13.276 4.459 1.00 43.09 H new ATOM 0 HG3 GLN A 18 5.134 11.800 4.825 1.00 43.09 H new ATOM 0 HE21 GLN A 18 5.152 10.459 3.042 1.00 53.35 H new ATOM 0 HE22 GLN A 18 4.245 10.545 1.864 1.00 53.35 H new ATOM 159 N ASP A 19 0.504 14.096 6.897 1.00 34.96 N ATOM 160 CA ASP A 19 -0.728 13.956 7.664 1.00 33.96 C ATOM 161 C ASP A 19 -1.978 14.271 6.884 1.00 34.37 C ATOM 162 O ASP A 19 -3.082 14.074 7.420 1.00 35.52 O ATOM 163 CB ASP A 19 -0.682 14.854 8.931 1.00 34.54 C ATOM 164 CG ASP A 19 0.518 14.527 9.837 1.00 35.97 C ATOM 165 OD1 ASP A 19 1.043 13.399 9.680 1.00 38.96 O ATOM 166 OD2 ASP A 19 0.902 15.396 10.694 1.00 35.14 O ATOM 0 H ASP A 19 0.914 14.840 7.030 1.00 34.96 H new ATOM 0 HA ASP A 19 -0.776 13.018 7.906 1.00 33.96 H new ATOM 0 HB2 ASP A 19 -0.638 15.785 8.663 1.00 34.54 H new ATOM 0 HB3 ASP A 19 -1.504 14.742 9.434 1.00 34.54 H new ATOM 167 N SER A 20 -1.829 14.749 5.643 1.00 32.02 N ATOM 168 CA SER A 20 -2.934 15.071 4.733 1.00 31.66 C ATOM 169 C SER A 20 -2.762 14.259 3.480 1.00 30.93 C ATOM 170 O SER A 20 -1.623 13.841 3.179 1.00 29.60 O ATOM 171 CB SER A 20 -2.949 16.574 4.306 1.00 29.79 C ATOM 172 OG SER A 20 -3.610 17.364 5.290 1.00 32.69 O ATOM 0 H SER A 20 -1.056 14.899 5.298 1.00 32.02 H new ATOM 0 HA SER A 20 -3.761 14.876 5.202 1.00 31.66 H new ATOM 0 HB2 SER A 20 -2.040 16.891 4.186 1.00 29.79 H new ATOM 0 HB3 SER A 20 -3.398 16.669 3.452 1.00 29.79 H new ATOM 0 HG SER A 20 -4.440 17.336 5.161 1.00 32.69 H new ATOM 173 N PRO A 21 -3.871 14.025 2.744 1.00 31.48 N ATOM 174 CA PRO A 21 -3.656 13.161 1.594 1.00 31.34 C ATOM 175 C PRO A 21 -3.087 13.977 0.414 1.00 31.09 C ATOM 176 O PRO A 21 -2.808 13.415 -0.625 1.00 31.23 O ATOM 177 CB PRO A 21 -5.043 12.562 1.315 1.00 31.73 C ATOM 178 CG PRO A 21 -6.021 13.478 1.949 1.00 34.10 C ATOM 179 CD PRO A 21 -5.300 14.124 3.108 1.00 32.04 C ATOM 0 HA PRO A 21 -3.003 12.459 1.743 1.00 31.34 H new ATOM 0 HB2 PRO A 21 -5.204 12.489 0.361 1.00 31.73 H new ATOM 0 HB3 PRO A 21 -5.115 11.668 1.684 1.00 31.73 H new ATOM 0 HG2 PRO A 21 -6.330 14.146 1.317 1.00 34.10 H new ATOM 0 HG3 PRO A 21 -6.803 12.993 2.254 1.00 34.10 H new ATOM 0 HD2 PRO A 21 -5.573 15.047 3.225 1.00 32.04 H new ATOM 0 HD3 PRO A 21 -5.486 13.665 3.942 1.00 32.04 H new ATOM 180 N GLY A 22 -2.802 15.265 0.617 1.00 27.81 N ATOM 181 CA GLY A 22 -2.449 16.117 -0.562 1.00 25.55 C ATOM 182 C GLY A 22 -2.398 17.583 -0.163 1.00 23.79 C ATOM 183 O GLY A 22 -2.758 17.940 0.979 1.00 23.09 O ATOM 0 H GLY A 22 -2.802 15.662 1.380 1.00 27.81 H new ATOM 0 HA2 GLY A 22 -1.590 15.844 -0.920 1.00 25.55 H new ATOM 0 HA3 GLY A 22 -3.103 15.991 -1.267 1.00 25.55 H new ATOM 184 N PRO A 23 -1.876 18.413 -1.072 1.00 24.02 N ATOM 185 CA PRO A 23 -1.545 19.807 -0.749 1.00 22.43 C ATOM 186 C PRO A 23 -2.751 20.647 -0.438 1.00 21.80 C ATOM 187 O PRO A 23 -2.686 21.413 0.495 1.00 21.40 O ATOM 188 CB PRO A 23 -0.782 20.323 -2.003 1.00 23.06 C ATOM 189 CG PRO A 23 -0.809 19.262 -2.996 1.00 25.53 C ATOM 190 CD PRO A 23 -1.412 17.994 -2.417 1.00 22.59 C ATOM 0 HA PRO A 23 -1.013 19.865 0.060 1.00 22.43 H new ATOM 0 HB2 PRO A 23 -1.200 21.126 -2.350 1.00 23.06 H new ATOM 0 HB3 PRO A 23 0.132 20.554 -1.775 1.00 23.06 H new ATOM 0 HG2 PRO A 23 -1.325 19.548 -3.766 1.00 25.53 H new ATOM 0 HG3 PRO A 23 0.092 19.083 -3.308 1.00 25.53 H new ATOM 0 HD2 PRO A 23 -2.145 17.666 -2.961 1.00 22.59 H new ATOM 0 HD3 PRO A 23 -0.758 17.280 -2.363 1.00 22.59 H new ATOM 191 N ARG A 24 -3.852 20.514 -1.198 1.00 21.49 N ATOM 192 CA ARG A 24 -5.069 21.265 -0.917 1.00 21.69 C ATOM 193 C ARG A 24 -5.600 20.992 0.501 1.00 21.85 C ATOM 194 O ARG A 24 -5.945 21.924 1.227 1.00 18.81 O ATOM 195 CB ARG A 24 -6.165 21.004 -1.969 1.00 22.02 C ATOM 196 CG ARG A 24 -7.517 21.689 -1.664 1.00 23.23 C ATOM 197 CD ARG A 24 -8.360 21.782 -2.930 1.00 25.19 C ATOM 198 NE ARG A 24 -7.682 22.517 -3.999 1.00 24.73 N ATOM 199 CZ ARG A 24 -7.588 23.834 -4.112 1.00 21.01 C ATOM 200 NH1 ARG A 24 -8.106 24.657 -3.221 1.00 22.92 N ATOM 201 NH2 ARG A 24 -6.940 24.344 -5.167 1.00 22.40 N ATOM 0 H ARG A 24 -3.906 19.992 -1.879 1.00 21.49 H new ATOM 0 HA ARG A 24 -4.828 22.203 -0.967 1.00 21.69 H new ATOM 0 HB2 ARG A 24 -5.848 21.309 -2.833 1.00 22.02 H new ATOM 0 HB3 ARG A 24 -6.308 20.047 -2.041 1.00 22.02 H new ATOM 0 HG2 ARG A 24 -7.995 21.187 -0.986 1.00 23.23 H new ATOM 0 HG3 ARG A 24 -7.363 22.577 -1.304 1.00 23.23 H new ATOM 0 HD2 ARG A 24 -8.573 20.888 -3.240 1.00 25.19 H new ATOM 0 HD3 ARG A 24 -9.201 22.219 -2.724 1.00 25.19 H new ATOM 0 HE ARG A 24 -7.308 22.048 -4.615 1.00 24.73 H new ATOM 0 HH11 ARG A 24 -8.522 24.343 -2.537 1.00 22.92 H new ATOM 0 HH12 ARG A 24 -8.027 25.507 -3.324 1.00 22.92 H new ATOM 0 HH21 ARG A 24 -6.595 23.819 -5.754 1.00 22.40 H new ATOM 0 HH22 ARG A 24 -6.869 25.196 -5.257 1.00 22.40 H new ATOM 202 N GLU A 25 -5.558 19.723 0.894 1.00 20.37 N ATOM 203 CA GLU A 25 -6.101 19.332 2.195 1.00 22.63 C ATOM 204 C GLU A 25 -5.101 19.802 3.261 1.00 20.41 C ATOM 205 O GLU A 25 -5.529 20.231 4.364 1.00 22.51 O ATOM 206 CB GLU A 25 -6.200 17.794 2.253 1.00 23.30 C ATOM 207 CG GLU A 25 -7.285 17.288 1.340 1.00 25.12 C ATOM 208 CD GLU A 25 -6.833 17.073 -0.105 1.00 28.54 C ATOM 209 OE1 GLU A 25 -5.713 17.425 -0.585 1.00 25.10 O ATOM 210 OE2 GLU A 25 -7.665 16.506 -0.823 1.00 35.48 O ATOM 0 H GLU A 25 -5.225 19.079 0.431 1.00 20.37 H new ATOM 0 HA GLU A 25 -6.978 19.720 2.339 1.00 22.63 H new ATOM 0 HB2 GLU A 25 -5.350 17.402 1.999 1.00 23.30 H new ATOM 0 HB3 GLU A 25 -6.381 17.512 3.163 1.00 23.30 H new ATOM 0 HG2 GLU A 25 -7.625 16.450 1.691 1.00 25.12 H new ATOM 0 HG3 GLU A 25 -8.022 17.919 1.348 1.00 25.12 H new ATOM 211 N ALA A 26 -3.817 19.702 2.955 1.00 18.93 N ATOM 212 CA ALA A 26 -2.795 20.188 3.935 1.00 20.21 C ATOM 213 C ALA A 26 -2.995 21.647 4.261 1.00 19.85 C ATOM 214 O ALA A 26 -2.921 22.054 5.452 1.00 19.15 O ATOM 215 CB ALA A 26 -1.342 19.966 3.467 1.00 20.46 C ATOM 0 H ALA A 26 -3.505 19.374 2.224 1.00 18.93 H new ATOM 0 HA ALA A 26 -2.931 19.652 4.732 1.00 20.21 H new ATOM 0 HB1 ALA A 26 -0.730 20.300 4.141 1.00 20.46 H new ATOM 0 HB2 ALA A 26 -1.187 19.018 3.331 1.00 20.46 H new ATOM 0 HB3 ALA A 26 -1.194 20.440 2.634 1.00 20.46 H new ATOM 216 N VAL A 27 -3.161 22.493 3.228 1.00 20.05 N ATOM 217 CA VAL A 27 -3.326 23.913 3.476 1.00 19.38 C ATOM 218 C VAL A 27 -4.680 24.229 4.178 1.00 19.33 C ATOM 219 O VAL A 27 -4.758 25.121 5.072 1.00 18.54 O ATOM 220 CB VAL A 27 -3.250 24.681 2.075 1.00 21.76 C ATOM 221 CG1 VAL A 27 -3.697 26.073 2.232 1.00 22.22 C ATOM 222 CG2 VAL A 27 -1.796 24.661 1.586 1.00 17.12 C ATOM 0 H VAL A 27 -3.179 22.261 2.400 1.00 20.05 H new ATOM 0 HA VAL A 27 -2.619 24.208 4.071 1.00 19.38 H new ATOM 0 HB VAL A 27 -3.828 24.242 1.432 1.00 21.76 H new ATOM 0 HG11 VAL A 27 -3.646 26.528 1.377 1.00 22.22 H new ATOM 0 HG12 VAL A 27 -4.613 26.085 2.550 1.00 22.22 H new ATOM 0 HG13 VAL A 27 -3.127 26.526 2.873 1.00 22.22 H new ATOM 0 HG21 VAL A 27 -1.734 25.124 0.736 1.00 17.12 H new ATOM 0 HG22 VAL A 27 -1.229 25.104 2.237 1.00 17.12 H new ATOM 0 HG23 VAL A 27 -1.504 23.743 1.476 1.00 17.12 H new ATOM 223 N SER A 28 -5.722 23.490 3.790 1.00 20.27 N ATOM 224 CA SER A 28 -7.039 23.565 4.464 1.00 21.18 C ATOM 225 C SER A 28 -6.911 23.284 5.957 1.00 20.93 C ATOM 226 O SER A 28 -7.441 24.023 6.797 1.00 17.85 O ATOM 227 CB SER A 28 -8.075 22.613 3.822 1.00 21.99 C ATOM 228 OG SER A 28 -9.305 22.743 4.478 1.00 24.22 O ATOM 0 H SER A 28 -5.694 22.933 3.135 1.00 20.27 H new ATOM 0 HA SER A 28 -7.362 24.472 4.348 1.00 21.18 H new ATOM 0 HB2 SER A 28 -8.177 22.820 2.880 1.00 21.99 H new ATOM 0 HB3 SER A 28 -7.764 21.696 3.879 1.00 21.99 H new ATOM 0 HG SER A 28 -9.866 22.226 4.127 1.00 24.22 H new ATOM 229 N GLN A 29 -6.179 22.225 6.280 1.00 21.79 N ATOM 230 CA GLN A 29 -6.041 21.862 7.708 1.00 21.34 C ATOM 231 C GLN A 29 -5.202 22.958 8.394 1.00 20.51 C ATOM 232 O GLN A 29 -5.527 23.391 9.510 1.00 21.11 O ATOM 233 CB GLN A 29 -5.386 20.493 7.825 1.00 21.87 C ATOM 234 CG GLN A 29 -5.236 20.013 9.306 1.00 27.84 C ATOM 235 CD GLN A 29 -6.605 19.822 9.936 1.00 35.08 C ATOM 236 OE1 GLN A 29 -6.955 20.451 10.941 1.00 38.12 O ATOM 237 NE2 GLN A 29 -7.411 19.007 9.293 1.00 37.13 N ATOM 0 H GLN A 29 -5.766 21.716 5.723 1.00 21.79 H new ATOM 0 HA GLN A 29 -6.906 21.806 8.143 1.00 21.34 H new ATOM 0 HB2 GLN A 29 -5.913 19.845 7.332 1.00 21.87 H new ATOM 0 HB3 GLN A 29 -4.510 20.522 7.409 1.00 21.87 H new ATOM 0 HG2 GLN A 29 -4.740 19.180 9.334 1.00 27.84 H new ATOM 0 HG3 GLN A 29 -4.727 20.664 9.814 1.00 27.84 H new ATOM 0 HE21 GLN A 29 -7.131 18.586 8.597 1.00 37.13 H new ATOM 0 HE22 GLN A 29 -8.218 18.894 9.568 1.00 37.13 H new ATOM 238 N LEU A 30 -4.114 23.390 7.763 1.00 20.35 N ATOM 239 CA LEU A 30 -3.302 24.525 8.337 1.00 19.81 C ATOM 240 C LEU A 30 -4.149 25.765 8.666 1.00 20.37 C ATOM 241 O LEU A 30 -3.949 26.352 9.720 1.00 19.35 O ATOM 242 CB LEU A 30 -2.126 24.884 7.446 1.00 17.20 C ATOM 243 CG LEU A 30 -0.931 23.912 7.428 1.00 18.92 C ATOM 244 CD1 LEU A 30 0.139 24.303 6.344 1.00 20.58 C ATOM 245 CD2 LEU A 30 -0.302 23.845 8.889 1.00 16.33 C ATOM 0 H LEU A 30 -3.817 23.067 7.023 1.00 20.35 H new ATOM 0 HA LEU A 30 -2.950 24.199 9.180 1.00 19.81 H new ATOM 0 HB2 LEU A 30 -2.454 24.973 6.538 1.00 17.20 H new ATOM 0 HB3 LEU A 30 -1.799 25.756 7.717 1.00 17.20 H new ATOM 0 HG LEU A 30 -1.247 23.030 7.175 1.00 18.92 H new ATOM 0 HD11 LEU A 30 0.871 23.667 6.367 1.00 20.58 H new ATOM 0 HD12 LEU A 30 -0.271 24.291 5.465 1.00 20.58 H new ATOM 0 HD13 LEU A 30 0.478 25.193 6.530 1.00 20.58 H new ATOM 0 HD21 LEU A 30 0.452 23.235 8.889 1.00 16.33 H new ATOM 0 HD22 LEU A 30 -0.002 24.729 9.153 1.00 16.33 H new ATOM 0 HD23 LEU A 30 -0.972 23.530 9.516 1.00 16.33 H new ATOM 246 N ARG A 31 -5.043 26.192 7.756 1.00 19.07 N ATOM 247 CA ARG A 31 -5.920 27.319 7.995 1.00 21.48 C ATOM 248 C ARG A 31 -6.689 27.106 9.310 1.00 22.29 C ATOM 249 O ARG A 31 -6.819 28.014 10.094 1.00 22.46 O ATOM 250 CB ARG A 31 -6.927 27.519 6.870 1.00 21.85 C ATOM 251 CG ARG A 31 -6.333 28.138 5.545 1.00 20.37 C ATOM 252 CD ARG A 31 -7.405 28.791 4.611 1.00 24.54 C ATOM 253 NE ARG A 31 -6.664 29.122 3.368 1.00 17.40 N ATOM 254 CZ ARG A 31 -6.513 28.284 2.368 1.00 18.87 C ATOM 255 NH1 ARG A 31 -7.120 27.076 2.377 1.00 20.16 N ATOM 256 NH2 ARG A 31 -5.760 28.696 1.345 1.00 17.85 N ATOM 0 H ARG A 31 -5.147 25.826 6.985 1.00 19.07 H new ATOM 0 HA ARG A 31 -5.361 28.110 8.044 1.00 21.48 H new ATOM 0 HB2 ARG A 31 -7.330 26.662 6.658 1.00 21.85 H new ATOM 0 HB3 ARG A 31 -7.638 28.096 7.190 1.00 21.85 H new ATOM 0 HG2 ARG A 31 -5.671 28.807 5.780 1.00 20.37 H new ATOM 0 HG3 ARG A 31 -5.870 27.442 5.053 1.00 20.37 H new ATOM 0 HD2 ARG A 31 -8.138 28.180 4.433 1.00 24.54 H new ATOM 0 HD3 ARG A 31 -7.789 29.585 5.015 1.00 24.54 H new ATOM 0 HE ARG A 31 -6.315 29.905 3.299 1.00 17.40 H new ATOM 0 HH11 ARG A 31 -7.613 26.847 3.044 1.00 20.16 H new ATOM 0 HH12 ARG A 31 -7.013 26.536 1.716 1.00 20.16 H new ATOM 0 HH21 ARG A 31 -5.401 29.477 1.363 1.00 17.85 H new ATOM 0 HH22 ARG A 31 -5.634 28.180 0.669 1.00 17.85 H new ATOM 257 N GLU A 32 -7.180 25.888 9.502 1.00 25.56 N ATOM 258 CA GLU A 32 -8.054 25.620 10.690 1.00 25.66 C ATOM 259 C GLU A 32 -7.237 25.651 11.959 1.00 23.88 C ATOM 260 O GLU A 32 -7.667 26.175 12.981 1.00 24.32 O ATOM 261 CB GLU A 32 -8.770 24.291 10.513 1.00 27.27 C ATOM 262 CG GLU A 32 -10.010 24.461 9.559 1.00 34.41 C ATOM 263 CD GLU A 32 -10.518 23.120 9.067 1.00 41.52 C ATOM 264 OE1 GLU A 32 -10.267 22.147 9.814 1.00 44.97 O ATOM 265 OE2 GLU A 32 -11.118 23.017 7.956 1.00 43.07 O ATOM 0 H GLU A 32 -7.038 25.213 8.989 1.00 25.56 H new ATOM 0 HA GLU A 32 -8.727 26.315 10.760 1.00 25.66 H new ATOM 0 HB2 GLU A 32 -8.159 23.634 10.145 1.00 27.27 H new ATOM 0 HB3 GLU A 32 -9.061 23.956 11.376 1.00 27.27 H new ATOM 0 HG2 GLU A 32 -10.720 24.925 10.029 1.00 34.41 H new ATOM 0 HG3 GLU A 32 -9.763 25.013 8.801 1.00 34.41 H new ATOM 266 N LEU A 33 -6.051 25.065 11.906 1.00 21.85 N ATOM 267 CA LEU A 33 -5.177 25.059 13.118 1.00 23.30 C ATOM 268 C LEU A 33 -4.697 26.464 13.381 1.00 23.06 C ATOM 269 O LEU A 33 -4.550 26.886 14.549 1.00 23.74 O ATOM 270 CB LEU A 33 -3.957 24.165 12.921 1.00 20.39 C ATOM 271 CG LEU A 33 -4.261 22.713 12.628 1.00 25.90 C ATOM 272 CD1 LEU A 33 -2.952 21.959 12.238 1.00 24.28 C ATOM 273 CD2 LEU A 33 -4.960 22.043 13.838 1.00 28.49 C ATOM 0 H LEU A 33 -5.725 24.673 11.214 1.00 21.85 H new ATOM 0 HA LEU A 33 -5.696 24.719 13.863 1.00 23.30 H new ATOM 0 HB2 LEU A 33 -3.427 24.523 12.192 1.00 20.39 H new ATOM 0 HB3 LEU A 33 -3.409 24.211 13.720 1.00 20.39 H new ATOM 0 HG LEU A 33 -4.872 22.667 11.876 1.00 25.90 H new ATOM 0 HD11 LEU A 33 -3.157 21.029 12.052 1.00 24.28 H new ATOM 0 HD12 LEU A 33 -2.565 22.369 11.448 1.00 24.28 H new ATOM 0 HD13 LEU A 33 -2.319 22.010 12.971 1.00 24.28 H new ATOM 0 HD21 LEU A 33 -5.146 21.114 13.631 1.00 28.49 H new ATOM 0 HD22 LEU A 33 -4.380 22.091 14.614 1.00 28.49 H new ATOM 0 HD23 LEU A 33 -5.792 22.505 14.028 1.00 28.49 H new ATOM 274 N CYS A 34 -4.368 27.183 12.296 1.00 20.86 N ATOM 275 CA CYS A 34 -3.994 28.577 12.463 1.00 22.87 C ATOM 276 C CYS A 34 -5.113 29.360 13.180 1.00 22.41 C ATOM 277 O CYS A 34 -4.851 30.109 14.130 1.00 23.61 O ATOM 278 CB CYS A 34 -3.725 29.244 11.073 1.00 23.23 C ATOM 279 SG CYS A 34 -3.491 31.043 11.192 1.00 28.28 S ATOM 0 H CYS A 34 -4.357 26.888 11.488 1.00 20.86 H new ATOM 0 HA CYS A 34 -3.186 28.603 12.999 1.00 22.87 H new ATOM 0 HB2 CYS A 34 -2.936 28.845 10.674 1.00 23.23 H new ATOM 0 HB3 CYS A 34 -4.469 29.057 10.479 1.00 23.23 H new ATOM 280 N ARG A 35 -6.341 29.228 12.702 1.00 22.09 N ATOM 281 CA ARG A 35 -7.449 29.923 13.343 1.00 25.45 C ATOM 282 C ARG A 35 -7.638 29.516 14.829 1.00 24.41 C ATOM 283 O ARG A 35 -8.002 30.310 15.586 1.00 25.71 O ATOM 284 CB ARG A 35 -8.768 29.583 12.624 1.00 26.85 C ATOM 285 CG ARG A 35 -8.810 30.117 11.210 1.00 31.49 C ATOM 286 CD ARG A 35 -10.239 30.052 10.578 1.00 41.74 C ATOM 287 NE ARG A 35 -10.741 31.398 10.632 1.00 48.14 N ATOM 288 CZ ARG A 35 -10.543 32.320 9.698 1.00 50.49 C ATOM 289 NH1 ARG A 35 -9.929 32.017 8.563 1.00 55.24 N ATOM 290 NH2 ARG A 35 -11.017 33.539 9.892 1.00 51.52 N ATOM 0 H ARG A 35 -6.554 28.750 12.020 1.00 22.09 H new ATOM 0 HA ARG A 35 -7.235 30.868 13.293 1.00 25.45 H new ATOM 0 HB2 ARG A 35 -8.885 28.620 12.607 1.00 26.85 H new ATOM 0 HB3 ARG A 35 -9.511 29.950 13.128 1.00 26.85 H new ATOM 0 HG2 ARG A 35 -8.501 31.037 11.207 1.00 31.49 H new ATOM 0 HG3 ARG A 35 -8.194 29.609 10.659 1.00 31.49 H new ATOM 0 HD2 ARG A 35 -10.203 29.729 9.664 1.00 41.74 H new ATOM 0 HD3 ARG A 35 -10.812 29.445 11.071 1.00 41.74 H new ATOM 0 HE ARG A 35 -11.204 31.623 11.321 1.00 48.14 H new ATOM 0 HH11 ARG A 35 -9.653 31.214 8.424 1.00 55.24 H new ATOM 0 HH12 ARG A 35 -9.807 32.623 7.965 1.00 55.24 H new ATOM 0 HH21 ARG A 35 -11.446 33.724 10.614 1.00 51.52 H new ATOM 0 HH22 ARG A 35 -10.897 34.147 9.296 1.00 51.52 H new ATOM 291 N LEU A 36 -7.378 28.279 15.187 1.00 25.25 N ATOM 292 CA LEU A 36 -7.522 27.793 16.606 1.00 25.02 C ATOM 293 C LEU A 36 -6.523 28.467 17.552 1.00 25.70 C ATOM 294 O LEU A 36 -6.769 28.597 18.769 1.00 25.06 O ATOM 295 CB LEU A 36 -7.369 26.266 16.669 1.00 27.08 C ATOM 296 CG LEU A 36 -8.519 25.490 15.954 1.00 28.14 C ATOM 297 CD1 LEU A 36 -8.331 23.992 16.040 1.00 30.64 C ATOM 298 CD2 LEU A 36 -9.918 25.859 16.478 1.00 37.76 C ATOM 0 H LEU A 36 -7.111 27.674 14.637 1.00 25.25 H new ATOM 0 HA LEU A 36 -8.412 28.037 16.904 1.00 25.02 H new ATOM 0 HB2 LEU A 36 -6.522 26.017 16.266 1.00 27.08 H new ATOM 0 HB3 LEU A 36 -7.333 25.991 17.598 1.00 27.08 H new ATOM 0 HG LEU A 36 -8.467 25.765 15.025 1.00 28.14 H new ATOM 0 HD11 LEU A 36 -9.063 23.547 15.586 1.00 30.64 H new ATOM 0 HD12 LEU A 36 -7.493 23.746 15.619 1.00 30.64 H new ATOM 0 HD13 LEU A 36 -8.316 23.720 16.971 1.00 30.64 H new ATOM 0 HD21 LEU A 36 -10.589 25.348 15.999 1.00 37.76 H new ATOM 0 HD22 LEU A 36 -9.973 25.656 17.425 1.00 37.76 H new ATOM 0 HD23 LEU A 36 -10.076 26.806 16.341 1.00 37.76 H new ATOM 299 N TRP A 37 -5.349 28.816 17.014 1.00 22.05 N ATOM 300 CA TRP A 37 -4.299 29.485 17.715 1.00 22.90 C ATOM 301 C TRP A 37 -4.558 30.963 17.753 1.00 23.55 C ATOM 302 O TRP A 37 -4.609 31.568 18.896 1.00 22.89 O ATOM 303 CB TRP A 37 -2.880 29.156 17.110 1.00 21.41 C ATOM 304 CG TRP A 37 -1.794 30.055 17.686 1.00 21.52 C ATOM 305 CD1 TRP A 37 -1.633 30.453 19.006 1.00 24.37 C ATOM 306 CD2 TRP A 37 -0.711 30.630 16.969 1.00 22.37 C ATOM 307 NE1 TRP A 37 -0.529 31.279 19.129 1.00 27.01 N ATOM 308 CE2 TRP A 37 0.076 31.371 17.897 1.00 23.56 C ATOM 309 CE3 TRP A 37 -0.284 30.536 15.622 1.00 24.73 C ATOM 310 CZ2 TRP A 37 1.238 32.043 17.523 1.00 22.95 C ATOM 311 CZ3 TRP A 37 0.862 31.235 15.254 1.00 27.70 C ATOM 312 CH2 TRP A 37 1.606 31.977 16.209 1.00 20.90 C ATOM 0 H TRP A 37 -5.153 28.653 16.193 1.00 22.05 H new ATOM 0 HA TRP A 37 -4.291 29.154 18.627 1.00 22.90 H new ATOM 0 HB2 TRP A 37 -2.660 28.228 17.289 1.00 21.41 H new ATOM 0 HB3 TRP A 37 -2.908 29.260 16.146 1.00 21.41 H new ATOM 0 HD1 TRP A 37 -2.188 30.201 19.708 1.00 24.37 H new ATOM 0 HE1 TRP A 37 -0.267 31.667 19.850 1.00 27.01 H new ATOM 0 HE3 TRP A 37 -0.754 30.024 15.004 1.00 24.73 H new ATOM 0 HZ2 TRP A 37 1.743 32.518 18.143 1.00 22.95 H new ATOM 0 HZ3 TRP A 37 1.145 31.216 14.368 1.00 27.70 H new ATOM 0 HH2 TRP A 37 2.368 32.432 15.931 1.00 20.90 H new ATOM 313 N LEU A 38 -4.726 31.601 16.565 1.00 23.77 N ATOM 314 CA LEU A 38 -4.704 33.053 16.492 1.00 24.16 C ATOM 315 C LEU A 38 -6.093 33.671 16.855 1.00 28.01 C ATOM 316 O LEU A 38 -6.166 34.855 17.206 1.00 27.37 O ATOM 317 CB LEU A 38 -4.241 33.543 15.121 1.00 26.26 C ATOM 318 CG LEU A 38 -2.755 33.186 14.925 1.00 23.54 C ATOM 319 CD1 LEU A 38 -2.273 33.517 13.497 1.00 25.85 C ATOM 320 CD2 LEU A 38 -1.816 33.775 16.055 1.00 19.41 C ATOM 0 H LEU A 38 -4.851 31.203 15.813 1.00 23.77 H new ATOM 0 HA LEU A 38 -4.060 33.356 17.151 1.00 24.16 H new ATOM 0 HB2 LEU A 38 -4.777 33.135 14.423 1.00 26.26 H new ATOM 0 HB3 LEU A 38 -4.366 34.502 15.050 1.00 26.26 H new ATOM 0 HG LEU A 38 -2.686 32.224 15.024 1.00 23.54 H new ATOM 0 HD11 LEU A 38 -1.336 33.281 13.408 1.00 25.85 H new ATOM 0 HD12 LEU A 38 -2.796 33.013 12.854 1.00 25.85 H new ATOM 0 HD13 LEU A 38 -2.384 34.466 13.330 1.00 25.85 H new ATOM 0 HD21 LEU A 38 -0.897 33.519 15.879 1.00 19.41 H new ATOM 0 HD22 LEU A 38 -1.886 34.742 16.062 1.00 19.41 H new ATOM 0 HD23 LEU A 38 -2.089 33.425 16.918 1.00 19.41 H new ATOM 321 N ARG A 39 -7.129 32.819 16.808 1.00 29.11 N ATOM 322 CA ARG A 39 -8.511 33.146 17.195 1.00 31.82 C ATOM 323 C ARG A 39 -8.995 34.504 16.678 1.00 32.76 C ATOM 324 O ARG A 39 -9.227 35.429 17.485 1.00 34.05 O ATOM 325 CB ARG A 39 -8.650 33.027 18.723 1.00 31.92 C ATOM 326 CG ARG A 39 -8.597 31.602 19.158 1.00 34.17 C ATOM 327 CD ARG A 39 -8.759 31.428 20.635 1.00 38.72 C ATOM 328 NE ARG A 39 -7.633 32.004 21.366 1.00 41.63 N ATOM 329 CZ ARG A 39 -7.708 32.374 22.647 1.00 45.73 C ATOM 330 NH1 ARG A 39 -8.862 32.242 23.320 1.00 45.14 N ATOM 331 NH2 ARG A 39 -6.648 32.885 23.265 1.00 45.03 N ATOM 0 H ARG A 39 -7.042 32.006 16.540 1.00 29.11 H new ATOM 0 HA ARG A 39 -9.095 32.502 16.765 1.00 31.82 H new ATOM 0 HB2 ARG A 39 -7.940 33.527 19.155 1.00 31.92 H new ATOM 0 HB3 ARG A 39 -9.489 33.424 19.006 1.00 31.92 H new ATOM 0 HG2 ARG A 39 -9.294 31.105 18.702 1.00 34.17 H new ATOM 0 HG3 ARG A 39 -7.749 31.218 18.884 1.00 34.17 H new ATOM 0 HD2 ARG A 39 -9.584 31.849 20.924 1.00 38.72 H new ATOM 0 HD3 ARG A 39 -8.834 30.484 20.845 1.00 38.72 H new ATOM 0 HE ARG A 39 -6.887 32.110 20.952 1.00 41.63 H new ATOM 0 HH11 ARG A 39 -9.555 31.919 22.926 1.00 45.14 H new ATOM 0 HH12 ARG A 39 -8.908 32.481 24.145 1.00 45.14 H new ATOM 0 HH21 ARG A 39 -5.906 32.980 22.840 1.00 45.03 H new ATOM 0 HH22 ARG A 39 -6.704 33.121 24.090 1.00 45.03 H new ATOM 332 N PRO A 40 -9.106 34.654 15.335 1.00 32.94 N ATOM 333 CA PRO A 40 -9.466 35.926 14.745 1.00 35.26 C ATOM 334 C PRO A 40 -10.892 36.392 15.113 1.00 36.88 C ATOM 335 O PRO A 40 -11.146 37.590 15.105 1.00 37.53 O ATOM 336 CB PRO A 40 -9.381 35.682 13.231 1.00 34.12 C ATOM 337 CG PRO A 40 -9.294 34.250 13.042 1.00 35.09 C ATOM 338 CD PRO A 40 -9.120 33.555 14.347 1.00 33.63 C ATOM 0 HA PRO A 40 -8.877 36.626 15.068 1.00 35.26 H new ATOM 0 HB2 PRO A 40 -10.161 36.042 12.780 1.00 34.12 H new ATOM 0 HB3 PRO A 40 -8.606 36.126 12.854 1.00 34.12 H new ATOM 0 HG2 PRO A 40 -10.097 33.928 12.604 1.00 35.09 H new ATOM 0 HG3 PRO A 40 -8.549 34.041 12.457 1.00 35.09 H new ATOM 0 HD2 PRO A 40 -9.844 32.932 14.518 1.00 33.63 H new ATOM 0 HD3 PRO A 40 -8.295 33.045 14.371 1.00 33.63 H new ATOM 339 N GLU A 41 -11.774 35.464 15.484 1.00 39.23 N ATOM 340 CA GLU A 41 -13.161 35.811 15.925 1.00 41.28 C ATOM 341 C GLU A 41 -13.146 36.622 17.242 1.00 41.70 C ATOM 342 O GLU A 41 -14.104 37.349 17.562 1.00 42.29 O ATOM 343 CB GLU A 41 -13.986 34.534 16.161 1.00 41.90 C ATOM 344 CG GLU A 41 -13.763 33.403 15.142 1.00 45.03 C ATOM 345 CD GLU A 41 -12.390 32.626 15.263 1.00 47.09 C ATOM 346 OE1 GLU A 41 -11.734 32.565 16.351 1.00 43.90 O ATOM 347 OE2 GLU A 41 -12.015 32.017 14.228 1.00 50.87 O ATOM 0 H GLU A 41 -11.603 34.621 15.493 1.00 39.23 H new ATOM 0 HA GLU A 41 -13.559 36.345 15.220 1.00 41.28 H new ATOM 0 HB2 GLU A 41 -13.782 34.195 17.047 1.00 41.90 H new ATOM 0 HB3 GLU A 41 -14.927 34.770 16.158 1.00 41.90 H new ATOM 0 HG2 GLU A 41 -14.486 32.763 15.232 1.00 45.03 H new ATOM 0 HG3 GLU A 41 -13.825 33.778 14.250 1.00 45.03 H new ATOM 348 N THR A 42 -12.091 36.443 18.032 1.00 41.36 N ATOM 349 CA THR A 42 -11.974 37.148 19.314 1.00 41.85 C ATOM 350 C THR A 42 -10.804 38.134 19.437 1.00 39.97 C ATOM 351 O THR A 42 -10.792 38.964 20.354 1.00 40.40 O ATOM 352 CB THR A 42 -12.046 36.144 20.519 1.00 42.42 C ATOM 353 OG1 THR A 42 -10.844 35.363 20.619 1.00 45.52 O ATOM 354 CG2 THR A 42 -13.239 35.163 20.314 1.00 44.23 C ATOM 0 H THR A 42 -11.433 35.921 17.849 1.00 41.36 H new ATOM 0 HA THR A 42 -12.750 37.730 19.346 1.00 41.85 H new ATOM 0 HB THR A 42 -12.160 36.665 21.329 1.00 42.42 H new ATOM 0 HG1 THR A 42 -10.906 34.836 21.270 1.00 45.52 H new ATOM 0 HG21 THR A 42 -13.281 34.544 21.060 1.00 44.23 H new ATOM 0 HG22 THR A 42 -14.067 35.666 20.265 1.00 44.23 H new ATOM 0 HG23 THR A 42 -13.113 34.667 19.490 1.00 44.23 H new ATOM 355 N HIS A 43 -9.827 38.086 18.532 1.00 37.86 N ATOM 356 CA HIS A 43 -8.708 39.010 18.598 1.00 36.12 C ATOM 357 C HIS A 43 -8.749 39.992 17.514 1.00 37.09 C ATOM 358 O HIS A 43 -9.158 39.642 16.390 1.00 38.75 O ATOM 359 CB HIS A 43 -7.376 38.280 18.446 1.00 36.20 C ATOM 360 CG HIS A 43 -7.064 37.397 19.595 1.00 38.94 C ATOM 361 ND1 HIS A 43 -6.907 36.039 19.461 1.00 40.27 N ATOM 362 CD2 HIS A 43 -6.941 37.668 20.914 1.00 42.35 C ATOM 363 CE1 HIS A 43 -6.686 35.506 20.651 1.00 43.59 C ATOM 364 NE2 HIS A 43 -6.712 36.472 21.553 1.00 41.85 N ATOM 0 H HIS A 43 -9.797 37.528 17.878 1.00 37.86 H new ATOM 0 HA HIS A 43 -8.781 39.443 19.463 1.00 36.12 H new ATOM 0 HB2 HIS A 43 -7.394 37.751 17.633 1.00 36.20 H new ATOM 0 HB3 HIS A 43 -6.665 38.932 18.344 1.00 36.20 H new ATOM 0 HD1 HIS A 43 -6.946 35.604 18.720 1.00 40.27 H new ATOM 0 HD2 HIS A 43 -7.000 38.506 21.314 1.00 42.35 H new ATOM 0 HE1 HIS A 43 -6.537 34.604 20.824 1.00 43.59 H new ATOM 365 N THR A 44 -8.215 41.187 17.787 1.00 36.08 N ATOM 366 CA THR A 44 -8.056 42.222 16.769 1.00 35.47 C ATOM 367 C THR A 44 -6.824 41.936 15.905 1.00 36.69 C ATOM 368 O THR A 44 -6.046 41.045 16.243 1.00 34.97 O ATOM 369 CB THR A 44 -7.853 43.606 17.425 1.00 36.58 C ATOM 370 OG1 THR A 44 -6.571 43.671 18.055 1.00 34.06 O ATOM 371 CG2 THR A 44 -9.042 43.929 18.492 1.00 37.83 C ATOM 0 H THR A 44 -7.936 41.417 18.568 1.00 36.08 H new ATOM 0 HA THR A 44 -8.860 42.222 16.227 1.00 35.47 H new ATOM 0 HB THR A 44 -7.890 44.282 16.730 1.00 36.58 H new ATOM 0 HG1 THR A 44 -6.470 44.427 18.407 1.00 34.06 H new ATOM 0 HG21 THR A 44 -8.892 44.801 18.889 1.00 37.83 H new ATOM 0 HG22 THR A 44 -9.897 43.925 18.035 1.00 37.83 H new ATOM 0 HG23 THR A 44 -9.045 43.253 19.188 1.00 37.83 H new ATOM 372 N LYS A 45 -6.658 42.672 14.803 1.00 34.77 N ATOM 373 CA LYS A 45 -5.474 42.600 13.968 1.00 35.14 C ATOM 374 C LYS A 45 -4.191 42.790 14.776 1.00 35.69 C ATOM 375 O LYS A 45 -3.174 42.056 14.606 1.00 32.79 O ATOM 376 CB LYS A 45 -5.548 43.684 12.876 1.00 36.78 C ATOM 377 CG LYS A 45 -4.915 43.272 11.563 1.00 34.32 C ATOM 378 CD LYS A 45 -4.791 44.472 10.589 1.00 35.31 C ATOM 379 CE LYS A 45 -6.131 44.855 9.937 1.00 35.00 C ATOM 380 NZ LYS A 45 -5.964 45.925 8.879 1.00 27.75 N ATOM 0 H LYS A 45 -7.245 43.234 14.521 1.00 34.77 H new ATOM 0 HA LYS A 45 -5.449 41.716 13.570 1.00 35.14 H new ATOM 0 HB2 LYS A 45 -6.478 43.911 12.720 1.00 36.78 H new ATOM 0 HB3 LYS A 45 -5.110 44.487 13.199 1.00 36.78 H new ATOM 0 HG2 LYS A 45 -4.036 42.897 11.730 1.00 34.32 H new ATOM 0 HG3 LYS A 45 -5.447 42.574 11.151 1.00 34.32 H new ATOM 0 HD2 LYS A 45 -4.440 45.238 11.070 1.00 35.31 H new ATOM 0 HD3 LYS A 45 -4.149 44.254 9.895 1.00 35.31 H new ATOM 0 HE2 LYS A 45 -6.532 44.067 9.538 1.00 35.00 H new ATOM 0 HE3 LYS A 45 -6.743 45.170 10.620 1.00 35.00 H new ATOM 0 HZ1 LYS A 45 -6.719 46.391 8.806 1.00 27.75 H new ATOM 0 HZ2 LYS A 45 -5.300 46.471 9.111 1.00 27.75 H new ATOM 0 HZ3 LYS A 45 -5.775 45.543 8.098 1.00 27.75 H new ATOM 381 N GLU A 46 -4.240 43.800 15.633 1.00 34.86 N ATOM 382 CA GLU A 46 -3.110 44.180 16.462 1.00 35.12 C ATOM 383 C GLU A 46 -2.755 43.051 17.463 1.00 33.72 C ATOM 384 O GLU A 46 -1.599 42.710 17.655 1.00 31.98 O ATOM 385 CB GLU A 46 -3.456 45.443 17.256 1.00 37.10 C ATOM 386 CG GLU A 46 -3.600 46.731 16.436 1.00 42.28 C ATOM 387 CD GLU A 46 -4.700 46.681 15.369 1.00 45.81 C ATOM 388 OE1 GLU A 46 -5.848 46.185 15.646 1.00 44.64 O ATOM 389 OE2 GLU A 46 -4.386 47.126 14.231 1.00 49.14 O ATOM 0 H GLU A 46 -4.938 44.288 15.750 1.00 34.86 H new ATOM 0 HA GLU A 46 -2.351 44.342 15.881 1.00 35.12 H new ATOM 0 HB2 GLU A 46 -4.287 45.288 17.731 1.00 37.10 H new ATOM 0 HB3 GLU A 46 -2.768 45.582 17.926 1.00 37.10 H new ATOM 0 HG2 GLU A 46 -3.783 47.468 17.040 1.00 42.28 H new ATOM 0 HG3 GLU A 46 -2.753 46.923 16.004 1.00 42.28 H new ATOM 390 N GLN A 47 -3.771 42.464 18.082 1.00 32.10 N ATOM 391 CA GLN A 47 -3.583 41.343 18.986 1.00 32.73 C ATOM 392 C GLN A 47 -2.994 40.089 18.297 1.00 30.05 C ATOM 393 O GLN A 47 -2.146 39.397 18.873 1.00 28.31 O ATOM 394 CB GLN A 47 -4.907 40.984 19.604 1.00 32.14 C ATOM 395 CG GLN A 47 -5.328 41.936 20.768 1.00 36.31 C ATOM 396 CD GLN A 47 -6.673 41.511 21.307 1.00 39.82 C ATOM 397 OE1 GLN A 47 -7.614 41.259 20.539 1.00 38.29 O ATOM 398 NE2 GLN A 47 -6.755 41.346 22.621 1.00 43.39 N ATOM 0 H GLN A 47 -4.591 42.707 17.988 1.00 32.10 H new ATOM 0 HA GLN A 47 -2.941 41.626 19.656 1.00 32.73 H new ATOM 0 HB2 GLN A 47 -5.592 41.001 18.917 1.00 32.14 H new ATOM 0 HB3 GLN A 47 -4.864 40.075 19.939 1.00 32.14 H new ATOM 0 HG2 GLN A 47 -4.664 41.912 21.474 1.00 36.31 H new ATOM 0 HG3 GLN A 47 -5.371 42.851 20.450 1.00 36.31 H new ATOM 0 HE21 GLN A 47 -6.080 41.532 23.121 1.00 43.39 H new ATOM 0 HE22 GLN A 47 -7.483 41.053 22.973 1.00 43.39 H new ATOM 399 N ILE A 48 -3.461 39.812 17.084 1.00 28.97 N ATOM 400 CA ILE A 48 -2.931 38.678 16.236 1.00 26.77 C ATOM 401 C ILE A 48 -1.419 38.887 15.948 1.00 26.86 C ATOM 402 O ILE A 48 -0.574 37.992 16.093 1.00 25.14 O ATOM 403 CB ILE A 48 -3.777 38.558 14.928 1.00 26.22 C ATOM 404 CG1 ILE A 48 -5.183 38.011 15.289 1.00 28.93 C ATOM 405 CG2 ILE A 48 -3.141 37.548 13.880 1.00 27.32 C ATOM 406 CD1 ILE A 48 -6.103 37.679 14.092 1.00 31.96 C ATOM 0 H ILE A 48 -4.092 40.260 16.708 1.00 28.97 H new ATOM 0 HA ILE A 48 -3.016 37.839 16.716 1.00 26.77 H new ATOM 0 HB ILE A 48 -3.811 39.442 14.530 1.00 26.22 H new ATOM 0 HG12 ILE A 48 -5.072 37.208 15.822 1.00 28.93 H new ATOM 0 HG13 ILE A 48 -5.632 38.664 15.849 1.00 28.93 H new ATOM 0 HG21 ILE A 48 -3.700 37.508 13.088 1.00 27.32 H new ATOM 0 HG22 ILE A 48 -2.254 37.853 13.634 1.00 27.32 H new ATOM 0 HG23 ILE A 48 -3.080 36.665 14.277 1.00 27.32 H new ATOM 0 HD11 ILE A 48 -6.953 37.346 14.420 1.00 31.96 H new ATOM 0 HD12 ILE A 48 -6.251 38.480 13.565 1.00 31.96 H new ATOM 0 HD13 ILE A 48 -5.683 37.002 13.539 1.00 31.96 H new ATOM 407 N LEU A 49 -1.077 40.070 15.522 1.00 25.34 N ATOM 408 CA LEU A 49 0.343 40.350 15.283 1.00 26.24 C ATOM 409 C LEU A 49 1.227 40.276 16.538 1.00 24.73 C ATOM 410 O LEU A 49 2.412 39.897 16.449 1.00 22.24 O ATOM 411 CB LEU A 49 0.524 41.740 14.633 1.00 29.15 C ATOM 412 CG LEU A 49 -0.194 41.824 13.259 1.00 32.66 C ATOM 413 CD1 LEU A 49 -0.391 43.306 12.845 1.00 37.05 C ATOM 414 CD2 LEU A 49 0.539 41.076 12.216 1.00 31.23 C ATOM 0 H LEU A 49 -1.618 40.719 15.364 1.00 25.34 H new ATOM 0 HA LEU A 49 0.637 39.644 14.686 1.00 26.24 H new ATOM 0 HB2 LEU A 49 0.173 42.423 15.225 1.00 29.15 H new ATOM 0 HB3 LEU A 49 1.469 41.924 14.517 1.00 29.15 H new ATOM 0 HG LEU A 49 -1.066 41.409 13.351 1.00 32.66 H new ATOM 0 HD11 LEU A 49 -0.840 43.345 11.986 1.00 37.05 H new ATOM 0 HD12 LEU A 49 -0.930 43.760 13.512 1.00 37.05 H new ATOM 0 HD13 LEU A 49 0.473 43.741 12.778 1.00 37.05 H new ATOM 0 HD21 LEU A 49 0.065 41.148 11.373 1.00 31.23 H new ATOM 0 HD22 LEU A 49 1.431 41.446 12.119 1.00 31.23 H new ATOM 0 HD23 LEU A 49 0.603 40.142 12.471 1.00 31.23 H new ATOM 415 N GLU A 50 0.690 40.668 17.684 1.00 24.31 N ATOM 416 CA GLU A 50 1.443 40.459 18.940 1.00 24.09 C ATOM 417 C GLU A 50 1.695 38.957 19.178 1.00 22.46 C ATOM 418 O GLU A 50 2.764 38.605 19.691 1.00 23.05 O ATOM 419 CB GLU A 50 0.682 41.015 20.153 1.00 26.06 C ATOM 420 CG GLU A 50 0.957 42.512 20.445 1.00 31.53 C ATOM 421 CD GLU A 50 2.434 42.808 20.685 1.00 32.73 C ATOM 422 OE1 GLU A 50 3.035 42.299 21.675 1.00 39.19 O ATOM 423 OE2 GLU A 50 2.988 43.549 19.883 1.00 36.94 O ATOM 0 H GLU A 50 -0.079 41.044 17.769 1.00 24.31 H new ATOM 0 HA GLU A 50 2.285 40.931 18.845 1.00 24.09 H new ATOM 0 HB2 GLU A 50 -0.269 40.894 20.008 1.00 26.06 H new ATOM 0 HB3 GLU A 50 0.918 40.494 20.937 1.00 26.06 H new ATOM 0 HG2 GLU A 50 0.642 43.046 19.699 1.00 31.53 H new ATOM 0 HG3 GLU A 50 0.447 42.784 21.224 1.00 31.53 H new ATOM 424 N LEU A 51 0.749 38.086 18.817 1.00 21.31 N ATOM 425 CA LEU A 51 0.972 36.650 19.026 1.00 20.49 C ATOM 426 C LEU A 51 2.021 36.149 18.047 1.00 21.12 C ATOM 427 O LEU A 51 2.857 35.318 18.420 1.00 19.54 O ATOM 428 CB LEU A 51 -0.314 35.815 18.836 1.00 21.89 C ATOM 429 CG LEU A 51 -1.404 36.040 19.924 1.00 24.82 C ATOM 430 CD1 LEU A 51 -2.720 35.363 19.523 1.00 28.48 C ATOM 431 CD2 LEU A 51 -0.970 35.536 21.283 1.00 28.16 C ATOM 0 H LEU A 51 -0.005 38.295 18.461 1.00 21.31 H new ATOM 0 HA LEU A 51 1.268 36.541 19.943 1.00 20.49 H new ATOM 0 HB2 LEU A 51 -0.694 36.022 17.968 1.00 21.89 H new ATOM 0 HB3 LEU A 51 -0.076 34.875 18.824 1.00 21.89 H new ATOM 0 HG LEU A 51 -1.538 36.998 19.989 1.00 24.82 H new ATOM 0 HD11 LEU A 51 -3.385 35.514 20.213 1.00 28.48 H new ATOM 0 HD12 LEU A 51 -3.034 35.736 18.684 1.00 28.48 H new ATOM 0 HD13 LEU A 51 -2.575 34.410 19.418 1.00 28.48 H new ATOM 0 HD21 LEU A 51 -1.676 35.696 21.928 1.00 28.16 H new ATOM 0 HD22 LEU A 51 -0.788 34.585 21.232 1.00 28.16 H new ATOM 0 HD23 LEU A 51 -0.167 36.004 21.561 1.00 28.16 H new ATOM 432 N VAL A 52 2.005 36.680 16.812 1.00 19.62 N ATOM 433 CA VAL A 52 3.106 36.308 15.843 1.00 19.70 C ATOM 434 C VAL A 52 4.509 36.761 16.297 1.00 19.46 C ATOM 435 O VAL A 52 5.496 36.008 16.203 1.00 18.77 O ATOM 436 CB VAL A 52 2.776 36.888 14.442 1.00 20.34 C ATOM 437 CG1 VAL A 52 4.062 36.869 13.509 1.00 18.25 C ATOM 438 CG2 VAL A 52 1.521 36.101 13.857 1.00 18.95 C ATOM 0 H VAL A 52 1.412 37.226 16.512 1.00 19.62 H new ATOM 0 HA VAL A 52 3.139 35.339 15.809 1.00 19.70 H new ATOM 0 HB VAL A 52 2.527 37.824 14.497 1.00 20.34 H new ATOM 0 HG11 VAL A 52 3.836 37.235 12.639 1.00 18.25 H new ATOM 0 HG12 VAL A 52 4.763 37.405 13.913 1.00 18.25 H new ATOM 0 HG13 VAL A 52 4.373 35.956 13.405 1.00 18.25 H new ATOM 0 HG21 VAL A 52 1.300 36.451 12.980 1.00 18.95 H new ATOM 0 HG22 VAL A 52 1.736 35.158 13.784 1.00 18.95 H new ATOM 0 HG23 VAL A 52 0.762 36.214 14.451 1.00 18.95 H new ATOM 439 N VAL A 53 4.601 37.988 16.777 1.00 18.03 N ATOM 440 CA VAL A 53 5.852 38.517 17.381 1.00 18.58 C ATOM 441 C VAL A 53 6.311 37.696 18.611 1.00 18.37 C ATOM 442 O VAL A 53 7.482 37.286 18.722 1.00 18.12 O ATOM 443 CB VAL A 53 5.691 40.025 17.721 1.00 18.35 C ATOM 444 CG1 VAL A 53 6.819 40.515 18.618 1.00 19.44 C ATOM 445 CG2 VAL A 53 5.546 40.859 16.433 1.00 16.05 C ATOM 0 H VAL A 53 3.951 38.551 16.770 1.00 18.03 H new ATOM 0 HA VAL A 53 6.557 38.425 16.721 1.00 18.58 H new ATOM 0 HB VAL A 53 4.873 40.142 18.228 1.00 18.35 H new ATOM 0 HG11 VAL A 53 6.692 41.457 18.813 1.00 19.44 H new ATOM 0 HG12 VAL A 53 6.816 40.011 19.447 1.00 19.44 H new ATOM 0 HG13 VAL A 53 7.669 40.390 18.167 1.00 19.44 H new ATOM 0 HG21 VAL A 53 5.447 41.796 16.663 1.00 16.05 H new ATOM 0 HG22 VAL A 53 6.336 40.744 15.882 1.00 16.05 H new ATOM 0 HG23 VAL A 53 4.764 40.563 15.942 1.00 16.05 H new ATOM 446 N LEU A 54 5.356 37.366 19.455 1.00 20.10 N ATOM 447 CA LEU A 54 5.655 36.630 20.682 1.00 20.32 C ATOM 448 C LEU A 54 6.279 35.277 20.319 1.00 19.29 C ATOM 449 O LEU A 54 7.320 34.885 20.855 1.00 18.57 O ATOM 450 CB LEU A 54 4.363 36.470 21.529 1.00 20.52 C ATOM 451 CG LEU A 54 4.573 35.444 22.692 1.00 24.44 C ATOM 452 CD1 LEU A 54 5.684 35.914 23.679 1.00 24.49 C ATOM 453 CD2 LEU A 54 3.231 35.307 23.420 1.00 23.85 C ATOM 0 H LEU A 54 4.525 37.555 19.343 1.00 20.10 H new ATOM 0 HA LEU A 54 6.295 37.120 21.222 1.00 20.32 H new ATOM 0 HB2 LEU A 54 4.105 37.330 21.896 1.00 20.52 H new ATOM 0 HB3 LEU A 54 3.635 36.174 20.960 1.00 20.52 H new ATOM 0 HG LEU A 54 4.865 34.591 22.333 1.00 24.44 H new ATOM 0 HD11 LEU A 54 5.788 35.258 24.385 1.00 24.49 H new ATOM 0 HD12 LEU A 54 6.522 36.010 23.201 1.00 24.49 H new ATOM 0 HD13 LEU A 54 5.433 36.768 24.066 1.00 24.49 H new ATOM 0 HD21 LEU A 54 3.322 34.676 24.151 1.00 23.85 H new ATOM 0 HD22 LEU A 54 2.963 36.171 23.771 1.00 23.85 H new ATOM 0 HD23 LEU A 54 2.557 34.987 22.800 1.00 23.85 H new ATOM 454 N GLU A 55 5.658 34.567 19.369 1.00 19.67 N ATOM 455 CA GLU A 55 6.186 33.270 18.975 1.00 20.49 C ATOM 456 C GLU A 55 7.651 33.382 18.506 1.00 20.11 C ATOM 457 O GLU A 55 8.505 32.515 18.861 1.00 20.49 O ATOM 458 CB GLU A 55 5.279 32.635 17.919 1.00 19.61 C ATOM 459 CG GLU A 55 5.914 31.405 17.313 1.00 20.06 C ATOM 460 CD GLU A 55 5.117 30.871 16.119 1.00 20.06 C ATOM 461 OE1 GLU A 55 4.821 31.655 15.166 1.00 20.96 O ATOM 462 OE2 GLU A 55 4.801 29.654 16.148 1.00 22.45 O ATOM 0 H GLU A 55 4.948 34.816 18.953 1.00 19.67 H new ATOM 0 HA GLU A 55 6.192 32.684 19.748 1.00 20.49 H new ATOM 0 HB2 GLU A 55 4.429 32.397 18.321 1.00 19.61 H new ATOM 0 HB3 GLU A 55 5.091 33.281 17.221 1.00 19.61 H new ATOM 0 HG2 GLU A 55 6.817 31.616 17.029 1.00 20.06 H new ATOM 0 HG3 GLU A 55 5.984 30.713 17.989 1.00 20.06 H new ATOM 463 N GLN A 56 7.958 34.424 17.729 1.00 21.03 N ATOM 464 CA GLN A 56 9.323 34.538 17.194 1.00 19.52 C ATOM 465 C GLN A 56 10.281 34.941 18.324 1.00 20.05 C ATOM 466 O GLN A 56 11.383 34.419 18.425 1.00 20.60 O ATOM 467 CB GLN A 56 9.365 35.478 15.990 1.00 19.12 C ATOM 468 CG GLN A 56 10.723 35.533 15.295 1.00 18.64 C ATOM 469 CD GLN A 56 11.193 34.137 14.760 1.00 23.72 C ATOM 470 OE1 GLN A 56 10.408 33.186 14.566 1.00 21.14 O ATOM 471 NE2 GLN A 56 12.476 34.025 14.588 1.00 25.56 N ATOM 0 H GLN A 56 7.417 35.054 17.505 1.00 21.03 H new ATOM 0 HA GLN A 56 9.621 33.678 16.859 1.00 19.52 H new ATOM 0 HB2 GLN A 56 8.694 35.197 15.348 1.00 19.12 H new ATOM 0 HB3 GLN A 56 9.124 36.372 16.280 1.00 19.12 H new ATOM 0 HG2 GLN A 56 10.677 36.159 14.555 1.00 18.64 H new ATOM 0 HG3 GLN A 56 11.385 35.876 15.916 1.00 18.64 H new ATOM 0 HE21 GLN A 56 12.989 34.700 14.730 1.00 25.56 H new ATOM 0 HE22 GLN A 56 12.812 33.276 14.332 1.00 25.56 H new ATOM 472 N PHE A 57 9.822 35.804 19.211 1.00 20.50 N ATOM 473 CA PHE A 57 10.688 36.212 20.343 1.00 20.59 C ATOM 474 C PHE A 57 11.078 34.988 21.175 1.00 21.93 C ATOM 475 O PHE A 57 12.249 34.855 21.534 1.00 20.98 O ATOM 476 CB PHE A 57 9.978 37.227 21.187 1.00 20.68 C ATOM 477 CG PHE A 57 10.726 37.630 22.411 1.00 24.42 C ATOM 478 CD1 PHE A 57 11.971 38.285 22.272 1.00 30.12 C ATOM 479 CD2 PHE A 57 10.281 37.278 23.672 1.00 25.84 C ATOM 480 CE1 PHE A 57 12.709 38.630 23.400 1.00 33.65 C ATOM 481 CE2 PHE A 57 11.058 37.631 24.833 1.00 24.60 C ATOM 482 CZ PHE A 57 12.240 38.318 24.659 1.00 29.48 C ATOM 0 H PHE A 57 9.041 36.164 19.193 1.00 20.50 H new ATOM 0 HA PHE A 57 11.500 36.614 19.996 1.00 20.59 H new ATOM 0 HB2 PHE A 57 9.806 38.016 20.650 1.00 20.68 H new ATOM 0 HB3 PHE A 57 9.116 36.869 21.450 1.00 20.68 H new ATOM 0 HD1 PHE A 57 12.298 38.486 21.425 1.00 30.12 H new ATOM 0 HD2 PHE A 57 9.481 36.814 23.771 1.00 25.84 H new ATOM 0 HE1 PHE A 57 13.521 39.073 23.305 1.00 33.65 H new ATOM 0 HE2 PHE A 57 10.767 37.399 25.685 1.00 24.60 H new ATOM 0 HZ PHE A 57 12.731 38.576 25.405 1.00 29.48 H new ATOM 483 N VAL A 58 10.117 34.101 21.494 1.00 21.08 N ATOM 484 CA VAL A 58 10.423 32.949 22.313 1.00 22.13 C ATOM 485 C VAL A 58 11.308 31.996 21.511 1.00 24.42 C ATOM 486 O VAL A 58 12.266 31.391 22.041 1.00 22.51 O ATOM 487 CB VAL A 58 9.084 32.260 22.759 1.00 21.72 C ATOM 488 CG1 VAL A 58 9.302 30.879 23.395 1.00 24.05 C ATOM 489 CG2 VAL A 58 8.249 33.193 23.699 1.00 22.12 C ATOM 0 H VAL A 58 9.297 34.160 21.243 1.00 21.08 H new ATOM 0 HA VAL A 58 10.904 33.213 23.113 1.00 22.13 H new ATOM 0 HB VAL A 58 8.572 32.110 21.949 1.00 21.72 H new ATOM 0 HG11 VAL A 58 8.446 30.501 23.650 1.00 24.05 H new ATOM 0 HG12 VAL A 58 9.736 30.293 22.755 1.00 24.05 H new ATOM 0 HG13 VAL A 58 9.862 30.970 24.182 1.00 24.05 H new ATOM 0 HG21 VAL A 58 7.430 32.743 23.958 1.00 22.12 H new ATOM 0 HG22 VAL A 58 8.767 33.401 24.492 1.00 22.12 H new ATOM 0 HG23 VAL A 58 8.032 34.014 23.230 1.00 22.12 H new ATOM 490 N ALA A 59 11.051 31.908 20.205 1.00 23.34 N ATOM 491 CA ALA A 59 11.855 31.035 19.381 1.00 23.68 C ATOM 492 C ALA A 59 13.330 31.418 19.357 1.00 24.56 C ATOM 493 O ALA A 59 14.170 30.533 19.170 1.00 23.94 O ATOM 494 CB ALA A 59 11.300 30.971 17.948 1.00 23.65 C ATOM 0 H ALA A 59 10.430 32.337 19.793 1.00 23.34 H new ATOM 0 HA ALA A 59 11.801 30.156 19.788 1.00 23.68 H new ATOM 0 HB1 ALA A 59 11.853 30.381 17.413 1.00 23.65 H new ATOM 0 HB2 ALA A 59 10.391 30.632 17.968 1.00 23.65 H new ATOM 0 HB3 ALA A 59 11.305 31.859 17.559 1.00 23.65 H new ATOM 495 N ILE A 60 13.661 32.699 19.524 1.00 23.36 N ATOM 496 CA ILE A 60 15.054 33.095 19.476 1.00 24.30 C ATOM 497 C ILE A 60 15.801 33.118 20.830 1.00 23.41 C ATOM 498 O ILE A 60 16.988 33.397 20.867 1.00 21.99 O ATOM 499 CB ILE A 60 15.300 34.410 18.733 1.00 23.68 C ATOM 500 CG1 ILE A 60 14.719 35.601 19.542 1.00 25.34 C ATOM 501 CG2 ILE A 60 14.860 34.249 17.195 1.00 24.45 C ATOM 502 CD1 ILE A 60 14.706 36.940 18.752 1.00 29.04 C ATOM 0 H ILE A 60 13.102 33.338 19.663 1.00 23.36 H new ATOM 0 HA ILE A 60 15.439 32.367 18.963 1.00 24.30 H new ATOM 0 HB ILE A 60 16.242 34.634 18.675 1.00 23.68 H new ATOM 0 HG12 ILE A 60 13.813 35.386 19.815 1.00 25.34 H new ATOM 0 HG13 ILE A 60 15.240 35.717 20.352 1.00 25.34 H new ATOM 0 HG21 ILE A 60 15.016 35.083 16.725 1.00 24.45 H new ATOM 0 HG22 ILE A 60 15.381 33.543 16.782 1.00 24.45 H new ATOM 0 HG23 ILE A 60 13.917 34.024 17.150 1.00 24.45 H new ATOM 0 HD11 ILE A 60 14.333 37.641 19.309 1.00 29.04 H new ATOM 0 HD12 ILE A 60 15.612 37.176 18.499 1.00 29.04 H new ATOM 0 HD13 ILE A 60 14.164 36.840 17.954 1.00 29.04 H new ATOM 503 N LEU A 61 15.098 32.832 21.916 1.00 23.93 N ATOM 504 CA LEU A 61 15.762 32.795 23.215 1.00 22.87 C ATOM 505 C LEU A 61 16.703 31.614 23.272 1.00 25.58 C ATOM 506 O LEU A 61 16.392 30.557 22.714 1.00 23.31 O ATOM 507 CB LEU A 61 14.748 32.698 24.319 1.00 22.46 C ATOM 508 CG LEU A 61 13.992 34.032 24.486 1.00 21.06 C ATOM 509 CD1 LEU A 61 12.937 33.786 25.513 1.00 23.87 C ATOM 510 CD2 LEU A 61 14.844 35.254 24.909 1.00 25.08 C ATOM 0 H LEU A 61 14.256 32.660 21.927 1.00 23.93 H new ATOM 0 HA LEU A 61 16.268 33.614 23.332 1.00 22.87 H new ATOM 0 HB2 LEU A 61 14.118 31.987 24.124 1.00 22.46 H new ATOM 0 HB3 LEU A 61 15.190 32.465 25.151 1.00 22.46 H new ATOM 0 HG LEU A 61 13.650 34.278 23.612 1.00 21.06 H new ATOM 0 HD11 LEU A 61 12.429 34.600 25.657 1.00 23.87 H new ATOM 0 HD12 LEU A 61 12.343 33.084 25.205 1.00 23.87 H new ATOM 0 HD13 LEU A 61 13.353 33.514 26.346 1.00 23.87 H new ATOM 0 HD21 LEU A 61 14.274 36.035 24.985 1.00 25.08 H new ATOM 0 HD22 LEU A 61 15.263 35.076 25.765 1.00 25.08 H new ATOM 0 HD23 LEU A 61 15.529 35.417 24.242 1.00 25.08 H new ATOM 511 N PRO A 62 17.841 31.798 23.954 1.00 26.56 N ATOM 512 CA PRO A 62 18.591 30.597 24.282 1.00 28.35 C ATOM 513 C PRO A 62 17.786 29.558 25.097 1.00 28.45 C ATOM 514 O PRO A 62 16.799 29.895 25.804 1.00 25.15 O ATOM 515 CB PRO A 62 19.803 31.140 25.039 1.00 29.28 C ATOM 516 CG PRO A 62 19.403 32.488 25.551 1.00 30.88 C ATOM 517 CD PRO A 62 18.307 33.008 24.665 1.00 27.07 C ATOM 0 HA PRO A 62 18.833 30.091 23.491 1.00 28.35 H new ATOM 0 HB2 PRO A 62 20.048 30.551 25.769 1.00 29.28 H new ATOM 0 HB3 PRO A 62 20.575 31.206 24.456 1.00 29.28 H new ATOM 0 HG2 PRO A 62 19.097 32.426 26.469 1.00 30.88 H new ATOM 0 HG3 PRO A 62 20.161 33.093 25.545 1.00 30.88 H new ATOM 0 HD2 PRO A 62 17.594 33.417 25.180 1.00 27.07 H new ATOM 0 HD3 PRO A 62 18.634 33.682 24.049 1.00 27.07 H new ATOM 518 N LYS A 63 18.227 28.289 24.985 1.00 29.05 N ATOM 519 CA LYS A 63 17.478 27.100 25.404 1.00 29.43 C ATOM 520 C LYS A 63 16.794 27.163 26.788 1.00 28.61 C ATOM 521 O LYS A 63 15.574 26.931 26.901 1.00 28.88 O ATOM 522 CB LYS A 63 18.472 25.908 25.316 1.00 31.36 C ATOM 523 CG LYS A 63 18.013 24.546 25.837 1.00 37.19 C ATOM 524 CD LYS A 63 19.268 23.564 25.759 1.00 45.60 C ATOM 525 CE LYS A 63 19.030 22.162 26.334 1.00 50.19 C ATOM 526 NZ LYS A 63 17.675 21.618 25.991 1.00 52.71 N ATOM 0 H LYS A 63 18.996 28.098 24.651 1.00 29.05 H new ATOM 0 HA LYS A 63 16.717 27.009 24.809 1.00 29.43 H new ATOM 0 HB2 LYS A 63 18.724 25.800 24.385 1.00 31.36 H new ATOM 0 HB3 LYS A 63 19.275 26.155 25.800 1.00 31.36 H new ATOM 0 HG2 LYS A 63 17.692 24.619 26.749 1.00 37.19 H new ATOM 0 HG3 LYS A 63 17.278 24.205 25.304 1.00 37.19 H new ATOM 0 HD2 LYS A 63 19.537 23.477 24.831 1.00 45.60 H new ATOM 0 HD3 LYS A 63 20.010 23.971 26.232 1.00 45.60 H new ATOM 0 HE2 LYS A 63 19.711 21.559 25.998 1.00 50.19 H new ATOM 0 HE3 LYS A 63 19.128 22.191 27.299 1.00 50.19 H new ATOM 0 HZ1 LYS A 63 17.614 20.775 26.269 1.00 52.71 H new ATOM 0 HZ2 LYS A 63 17.048 22.107 26.391 1.00 52.71 H new ATOM 0 HZ3 LYS A 63 17.557 21.649 25.109 1.00 52.71 H new ATOM 527 N GLU A 64 17.545 27.464 27.847 1.00 28.43 N ATOM 528 CA GLU A 64 16.897 27.481 29.165 1.00 27.97 C ATOM 529 C GLU A 64 15.964 28.677 29.389 1.00 26.48 C ATOM 530 O GLU A 64 14.955 28.550 30.065 1.00 26.25 O ATOM 531 CB GLU A 64 17.936 27.483 30.272 1.00 28.86 C ATOM 532 CG GLU A 64 18.956 26.338 30.226 1.00 35.11 C ATOM 533 CD GLU A 64 18.360 24.971 30.456 1.00 42.91 C ATOM 534 OE1 GLU A 64 17.269 24.861 31.053 1.00 46.71 O ATOM 535 OE2 GLU A 64 18.969 23.979 29.996 1.00 48.54 O ATOM 0 H GLU A 64 18.384 27.652 27.833 1.00 28.43 H new ATOM 0 HA GLU A 64 16.356 26.676 29.188 1.00 27.97 H new ATOM 0 HB2 GLU A 64 18.417 28.325 30.241 1.00 28.86 H new ATOM 0 HB3 GLU A 64 17.476 27.451 31.125 1.00 28.86 H new ATOM 0 HG2 GLU A 64 19.398 26.346 29.363 1.00 35.11 H new ATOM 0 HG3 GLU A 64 19.639 26.499 30.896 1.00 35.11 H new ATOM 536 N LEU A 65 16.339 29.865 28.899 1.00 26.02 N ATOM 537 CA LEU A 65 15.446 31.034 28.994 1.00 23.97 C ATOM 538 C LEU A 65 14.175 30.733 28.211 1.00 24.22 C ATOM 539 O LEU A 65 13.031 31.084 28.634 1.00 24.51 O ATOM 540 CB LEU A 65 16.130 32.332 28.469 1.00 23.36 C ATOM 541 CG LEU A 65 17.370 32.820 29.249 1.00 24.38 C ATOM 542 CD1 LEU A 65 18.031 34.084 28.573 1.00 24.57 C ATOM 543 CD2 LEU A 65 16.955 33.068 30.722 1.00 25.33 C ATOM 0 H LEU A 65 17.093 30.016 28.514 1.00 26.02 H new ATOM 0 HA LEU A 65 15.232 31.195 29.926 1.00 23.97 H new ATOM 0 HB2 LEU A 65 16.390 32.186 27.546 1.00 23.36 H new ATOM 0 HB3 LEU A 65 15.471 33.044 28.469 1.00 23.36 H new ATOM 0 HG LEU A 65 18.060 32.138 29.231 1.00 24.38 H new ATOM 0 HD11 LEU A 65 18.804 34.360 29.090 1.00 24.57 H new ATOM 0 HD12 LEU A 65 18.309 33.861 27.671 1.00 24.57 H new ATOM 0 HD13 LEU A 65 17.387 34.809 28.543 1.00 24.57 H new ATOM 0 HD21 LEU A 65 17.724 33.376 31.228 1.00 25.33 H new ATOM 0 HD22 LEU A 65 16.258 33.741 30.753 1.00 25.33 H new ATOM 0 HD23 LEU A 65 16.624 32.242 31.109 1.00 25.33 H new ATOM 544 N GLN A 66 14.340 30.069 27.066 1.00 23.66 N ATOM 545 CA GLN A 66 13.194 29.716 26.266 1.00 25.13 C ATOM 546 C GLN A 66 12.217 28.837 27.072 1.00 25.46 C ATOM 547 O GLN A 66 10.963 29.099 27.123 1.00 24.91 O ATOM 548 CB GLN A 66 13.670 28.997 24.985 1.00 25.70 C ATOM 549 CG GLN A 66 12.576 28.804 24.000 1.00 27.22 C ATOM 550 CD GLN A 66 13.024 28.246 22.609 1.00 30.69 C ATOM 551 OE1 GLN A 66 12.411 27.336 22.125 1.00 40.90 O ATOM 552 NE2 GLN A 66 14.054 28.813 21.990 1.00 33.28 N ATOM 0 H GLN A 66 15.099 29.821 26.747 1.00 23.66 H new ATOM 0 HA GLN A 66 12.716 30.521 26.013 1.00 25.13 H new ATOM 0 HB2 GLN A 66 14.383 29.511 24.575 1.00 25.70 H new ATOM 0 HB3 GLN A 66 14.043 28.134 25.222 1.00 25.70 H new ATOM 0 HG2 GLN A 66 11.921 28.198 24.380 1.00 27.22 H new ATOM 0 HG3 GLN A 66 12.130 29.654 23.863 1.00 27.22 H new ATOM 0 HE21 GLN A 66 14.474 29.464 22.363 1.00 33.28 H new ATOM 0 HE22 GLN A 66 14.300 28.529 21.217 1.00 33.28 H new ATOM 553 N THR A 67 12.765 27.796 27.709 1.00 25.38 N ATOM 554 CA THR A 67 11.914 26.929 28.565 1.00 27.24 C ATOM 555 C THR A 67 11.279 27.699 29.704 1.00 24.38 C ATOM 556 O THR A 67 10.086 27.601 29.966 1.00 24.70 O ATOM 557 CB THR A 67 12.751 25.813 29.130 1.00 27.13 C ATOM 558 OG1 THR A 67 13.377 25.174 28.020 1.00 34.41 O ATOM 559 CG2 THR A 67 11.880 24.751 29.898 1.00 32.42 C ATOM 0 H THR A 67 13.595 27.573 27.668 1.00 25.38 H new ATOM 0 HA THR A 67 11.200 26.577 28.010 1.00 27.24 H new ATOM 0 HB THR A 67 13.389 26.176 29.764 1.00 27.13 H new ATOM 0 HG1 THR A 67 14.067 25.602 27.803 1.00 34.41 H new ATOM 0 HG21 THR A 67 12.455 24.051 30.245 1.00 32.42 H new ATOM 0 HG22 THR A 67 11.417 25.183 30.633 1.00 32.42 H new ATOM 0 HG23 THR A 67 11.231 24.364 29.290 1.00 32.42 H new ATOM 560 N TRP A 68 12.084 28.532 30.339 1.00 24.15 N ATOM 561 CA TRP A 68 11.591 29.390 31.486 1.00 23.48 C ATOM 562 C TRP A 68 10.349 30.217 31.069 1.00 23.81 C ATOM 563 O TRP A 68 9.271 30.163 31.698 1.00 22.56 O ATOM 564 CB TRP A 68 12.740 30.333 31.933 1.00 23.97 C ATOM 565 CG TRP A 68 12.266 31.186 33.128 1.00 23.56 C ATOM 566 CD1 TRP A 68 11.557 32.364 33.060 1.00 24.55 C ATOM 567 CD2 TRP A 68 12.425 30.877 34.523 1.00 23.56 C ATOM 568 NE1 TRP A 68 11.259 32.806 34.348 1.00 29.10 N ATOM 569 CE2 TRP A 68 11.763 31.896 35.256 1.00 27.07 C ATOM 570 CE3 TRP A 68 13.048 29.799 35.233 1.00 26.41 C ATOM 571 CZ2 TRP A 68 11.710 31.905 36.684 1.00 30.48 C ATOM 572 CZ3 TRP A 68 12.997 29.795 36.664 1.00 20.68 C ATOM 573 CH2 TRP A 68 12.326 30.866 37.368 1.00 22.98 C ATOM 0 H TRP A 68 12.916 28.637 30.147 1.00 24.15 H new ATOM 0 HA TRP A 68 11.328 28.816 32.223 1.00 23.48 H new ATOM 0 HB2 TRP A 68 13.520 29.813 32.183 1.00 23.97 H new ATOM 0 HB3 TRP A 68 13.005 30.907 31.198 1.00 23.97 H new ATOM 0 HD1 TRP A 68 11.314 32.799 32.275 1.00 24.55 H new ATOM 0 HE1 TRP A 68 10.832 33.526 34.545 1.00 29.10 H new ATOM 0 HE3 TRP A 68 13.478 29.115 34.773 1.00 26.41 H new ATOM 0 HZ2 TRP A 68 11.275 32.588 37.142 1.00 30.48 H new ATOM 0 HZ3 TRP A 68 13.396 29.103 37.141 1.00 20.68 H new ATOM 0 HH2 TRP A 68 12.307 30.858 38.298 1.00 22.98 H new ATOM 574 N VAL A 69 10.494 30.951 29.953 1.00 22.73 N ATOM 575 CA VAL A 69 9.447 31.888 29.469 1.00 22.05 C ATOM 576 C VAL A 69 8.261 31.073 29.041 1.00 25.32 C ATOM 577 O VAL A 69 7.122 31.407 29.345 1.00 23.85 O ATOM 578 CB VAL A 69 9.981 32.738 28.281 1.00 21.54 C ATOM 579 CG1 VAL A 69 8.887 33.559 27.613 1.00 22.65 C ATOM 580 CG2 VAL A 69 11.029 33.723 28.788 1.00 22.84 C ATOM 0 H VAL A 69 11.195 30.924 29.455 1.00 22.73 H new ATOM 0 HA VAL A 69 9.195 32.501 30.177 1.00 22.05 H new ATOM 0 HB VAL A 69 10.348 32.112 27.637 1.00 21.54 H new ATOM 0 HG11 VAL A 69 9.267 34.070 26.881 1.00 22.65 H new ATOM 0 HG12 VAL A 69 8.200 32.966 27.270 1.00 22.65 H new ATOM 0 HG13 VAL A 69 8.496 34.165 28.261 1.00 22.65 H new ATOM 0 HG21 VAL A 69 11.361 34.252 28.046 1.00 22.84 H new ATOM 0 HG22 VAL A 69 10.629 34.309 29.450 1.00 22.84 H new ATOM 0 HG23 VAL A 69 11.764 33.235 29.191 1.00 22.84 H new ATOM 581 N ARG A 70 8.522 29.997 28.281 1.00 27.33 N ATOM 582 CA ARG A 70 7.416 29.129 27.846 1.00 32.34 C ATOM 583 C ARG A 70 6.531 28.726 28.977 1.00 32.56 C ATOM 584 O ARG A 70 5.317 28.884 28.883 1.00 35.20 O ATOM 585 CB ARG A 70 7.927 27.888 27.116 1.00 31.91 C ATOM 586 CG ARG A 70 7.689 28.106 25.669 1.00 39.03 C ATOM 587 CD ARG A 70 7.389 26.825 24.962 1.00 45.24 C ATOM 588 NE ARG A 70 8.629 26.240 24.485 1.00 48.83 N ATOM 589 CZ ARG A 70 9.269 26.663 23.406 1.00 46.19 C ATOM 590 NH1 ARG A 70 8.804 27.667 22.700 1.00 45.38 N ATOM 591 NH2 ARG A 70 10.370 26.071 23.041 1.00 47.66 N ATOM 0 H ARG A 70 9.304 29.759 28.015 1.00 27.33 H new ATOM 0 HA ARG A 70 6.887 29.658 27.228 1.00 32.34 H new ATOM 0 HB2 ARG A 70 8.871 27.751 27.292 1.00 31.91 H new ATOM 0 HB3 ARG A 70 7.463 27.094 27.424 1.00 31.91 H new ATOM 0 HG2 ARG A 70 6.949 28.722 25.551 1.00 39.03 H new ATOM 0 HG3 ARG A 70 8.470 28.521 25.271 1.00 39.03 H new ATOM 0 HD2 ARG A 70 6.939 26.210 25.562 1.00 45.24 H new ATOM 0 HD3 ARG A 70 6.788 26.987 24.218 1.00 45.24 H new ATOM 0 HE ARG A 70 8.966 25.584 24.927 1.00 48.83 H new ATOM 0 HH11 ARG A 70 8.076 28.058 22.937 1.00 45.38 H new ATOM 0 HH12 ARG A 70 9.228 27.934 22.001 1.00 45.38 H new ATOM 0 HH21 ARG A 70 10.676 25.411 23.500 1.00 47.66 H new ATOM 0 HH22 ARG A 70 10.791 26.340 22.341 1.00 47.66 H new ATOM 592 N ASP A 71 7.154 28.302 30.060 1.00 33.90 N ATOM 593 CA ASP A 71 6.461 27.769 31.243 1.00 36.14 C ATOM 594 C ASP A 71 5.679 28.802 32.015 1.00 35.99 C ATOM 595 O ASP A 71 4.851 28.433 32.822 1.00 37.75 O ATOM 596 CB ASP A 71 7.428 27.007 32.163 1.00 37.11 C ATOM 597 CG ASP A 71 7.862 25.660 31.570 1.00 44.45 C ATOM 598 OD1 ASP A 71 7.186 25.151 30.632 1.00 46.82 O ATOM 599 OD2 ASP A 71 8.892 25.103 32.041 1.00 44.13 O ATOM 0 H ASP A 71 8.010 28.312 30.140 1.00 33.90 H new ATOM 0 HA ASP A 71 5.803 27.146 30.897 1.00 36.14 H new ATOM 0 HB2 ASP A 71 8.213 27.553 32.326 1.00 37.11 H new ATOM 0 HB3 ASP A 71 7.003 26.857 33.022 1.00 37.11 H new ATOM 600 N HIS A 72 5.920 30.089 31.754 1.00 35.12 N ATOM 601 CA HIS A 72 5.123 31.185 32.318 1.00 33.51 C ATOM 602 C HIS A 72 3.984 31.614 31.410 1.00 33.85 C ATOM 603 O HIS A 72 3.223 32.521 31.756 1.00 32.66 O ATOM 604 CB HIS A 72 6.016 32.385 32.606 1.00 32.03 C ATOM 605 CG HIS A 72 6.860 32.201 33.811 1.00 30.89 C ATOM 606 ND1 HIS A 72 7.912 31.304 33.864 1.00 27.48 N ATOM 607 CD2 HIS A 72 6.776 32.762 35.041 1.00 32.06 C ATOM 608 CE1 HIS A 72 8.434 31.319 35.077 1.00 31.20 C ATOM 609 NE2 HIS A 72 7.758 32.189 35.809 1.00 33.78 N ATOM 0 H HIS A 72 6.557 30.354 31.240 1.00 35.12 H new ATOM 0 HA HIS A 72 4.730 30.850 33.139 1.00 33.51 H new ATOM 0 HB2 HIS A 72 6.587 32.549 31.839 1.00 32.03 H new ATOM 0 HB3 HIS A 72 5.463 33.173 32.722 1.00 32.03 H new ATOM 0 HD1 HIS A 72 8.183 30.814 33.211 1.00 27.48 H new ATOM 0 HD2 HIS A 72 6.169 33.412 35.313 1.00 32.06 H new ATOM 0 HE1 HIS A 72 9.153 30.806 35.367 1.00 31.20 H new ATOM 610 N HIS A 73 3.867 30.981 30.241 1.00 33.82 N ATOM 611 CA HIS A 73 2.731 31.268 29.286 1.00 33.75 C ATOM 612 C HIS A 73 2.343 32.707 29.106 1.00 33.10 C ATOM 613 O HIS A 73 1.150 33.044 29.264 1.00 33.53 O ATOM 614 CB HIS A 73 1.480 30.511 29.722 1.00 36.52 C ATOM 615 CG HIS A 73 1.764 29.092 30.057 1.00 38.82 C ATOM 616 ND1 HIS A 73 2.003 28.143 29.087 1.00 44.66 N ATOM 617 CD2 HIS A 73 1.933 28.477 31.249 1.00 41.18 C ATOM 618 CE1 HIS A 73 2.272 26.991 29.673 1.00 42.76 C ATOM 619 NE2 HIS A 73 2.237 27.166 30.980 1.00 42.68 N ATOM 0 H HIS A 73 4.419 30.383 29.964 1.00 33.82 H new ATOM 0 HA HIS A 73 3.082 30.976 28.430 1.00 33.75 H new ATOM 0 HB2 HIS A 73 1.091 30.951 30.494 1.00 36.52 H new ATOM 0 HB3 HIS A 73 0.820 30.547 29.012 1.00 36.52 H new ATOM 0 HD2 HIS A 73 1.858 28.867 32.090 1.00 41.18 H new ATOM 0 HE1 HIS A 73 2.455 26.190 29.237 1.00 42.76 H new ATOM 0 HE2 HIS A 73 2.382 26.556 31.569 1.00 42.68 H new ATOM 620 N PRO A 74 3.321 33.583 28.753 1.00 30.70 N ATOM 621 CA PRO A 74 2.992 34.957 28.426 1.00 31.10 C ATOM 622 C PRO A 74 2.001 35.070 27.254 1.00 30.19 C ATOM 623 O PRO A 74 1.936 34.207 26.351 1.00 28.69 O ATOM 624 CB PRO A 74 4.345 35.576 28.045 1.00 30.19 C ATOM 625 CG PRO A 74 5.124 34.379 27.497 1.00 29.50 C ATOM 626 CD PRO A 74 4.740 33.272 28.449 1.00 32.16 C ATOM 0 HA PRO A 74 2.553 35.402 29.168 1.00 31.10 H new ATOM 0 HB2 PRO A 74 4.246 36.276 27.381 1.00 30.19 H new ATOM 0 HB3 PRO A 74 4.788 35.973 28.811 1.00 30.19 H new ATOM 0 HG2 PRO A 74 4.872 34.172 26.583 1.00 29.50 H new ATOM 0 HG3 PRO A 74 6.081 34.540 27.498 1.00 29.50 H new ATOM 0 HD2 PRO A 74 4.838 32.397 28.043 1.00 32.16 H new ATOM 0 HD3 PRO A 74 5.290 33.277 29.248 1.00 32.16 H new ATOM 627 N GLU A 75 1.175 36.092 27.298 1.00 30.59 N ATOM 628 CA GLU A 75 0.120 36.230 26.296 1.00 32.32 C ATOM 629 C GLU A 75 0.542 37.205 25.187 1.00 31.99 C ATOM 630 O GLU A 75 -0.105 37.325 24.129 1.00 32.75 O ATOM 631 CB GLU A 75 -1.224 36.606 26.977 1.00 34.33 C ATOM 632 CG GLU A 75 -2.155 35.372 27.139 1.00 38.02 C ATOM 633 CD GLU A 75 -3.130 35.361 28.386 1.00 48.49 C ATOM 634 OE1 GLU A 75 -3.169 36.324 29.229 1.00 50.17 O ATOM 635 OE2 GLU A 75 -3.868 34.329 28.501 1.00 48.14 O ATOM 0 H GLU A 75 1.200 36.716 27.890 1.00 30.59 H new ATOM 0 HA GLU A 75 -0.023 35.377 25.858 1.00 32.32 H new ATOM 0 HB2 GLU A 75 -1.047 36.994 27.848 1.00 34.33 H new ATOM 0 HB3 GLU A 75 -1.675 37.284 26.450 1.00 34.33 H new ATOM 0 HG2 GLU A 75 -2.693 35.294 26.336 1.00 38.02 H new ATOM 0 HG3 GLU A 75 -1.598 34.579 27.186 1.00 38.02 H new ATOM 636 N ASN A 76 1.623 37.933 25.434 1.00 30.57 N ATOM 637 CA ASN A 76 2.161 38.858 24.465 1.00 29.86 C ATOM 638 C ASN A 76 3.622 39.084 24.759 1.00 29.70 C ATOM 639 O ASN A 76 4.156 38.531 25.768 1.00 29.72 O ATOM 640 CB ASN A 76 1.357 40.153 24.420 1.00 30.51 C ATOM 641 CG ASN A 76 1.317 40.854 25.761 1.00 32.46 C ATOM 642 OD1 ASN A 76 2.351 41.220 26.311 1.00 32.26 O ATOM 643 ND2 ASN A 76 0.110 41.083 26.276 1.00 31.68 N ATOM 0 H ASN A 76 2.063 37.900 26.172 1.00 30.57 H new ATOM 0 HA ASN A 76 2.087 38.477 23.576 1.00 29.86 H new ATOM 0 HB2 ASN A 76 1.743 40.748 23.758 1.00 30.51 H new ATOM 0 HB3 ASN A 76 0.451 39.959 24.132 1.00 30.51 H new ATOM 0 HD21 ASN A 76 0.034 41.503 27.023 1.00 31.68 H new ATOM 0 HD22 ASN A 76 -0.593 40.811 25.862 1.00 31.68 H new ATOM 644 N GLY A 77 4.254 39.911 23.937 1.00 27.98 N ATOM 645 CA GLY A 77 5.685 40.171 23.987 1.00 28.13 C ATOM 646 C GLY A 77 6.100 40.931 25.236 1.00 27.68 C ATOM 647 O GLY A 77 7.112 40.621 25.865 1.00 25.69 O ATOM 0 H GLY A 77 3.850 40.349 23.317 1.00 27.98 H new ATOM 0 HA2 GLY A 77 6.164 39.328 23.951 1.00 28.13 H new ATOM 0 HA3 GLY A 77 5.945 40.679 23.203 1.00 28.13 H new ATOM 648 N GLU A 78 5.279 41.892 25.611 1.00 27.41 N ATOM 649 CA GLU A 78 5.491 42.682 26.826 1.00 28.27 C ATOM 650 C GLU A 78 5.562 41.789 28.051 1.00 27.25 C ATOM 651 O GLU A 78 6.425 41.918 28.919 1.00 27.33 O ATOM 652 CB GLU A 78 4.318 43.668 26.948 1.00 30.24 C ATOM 653 CG GLU A 78 4.259 44.591 25.766 1.00 34.39 C ATOM 654 CD GLU A 78 5.526 45.336 25.714 1.00 40.48 C ATOM 655 OE1 GLU A 78 5.916 45.751 26.810 1.00 48.95 O ATOM 656 OE2 GLU A 78 6.197 45.474 24.668 1.00 45.06 O ATOM 0 H GLU A 78 4.575 42.113 25.170 1.00 27.41 H new ATOM 0 HA GLU A 78 6.334 43.158 26.770 1.00 28.27 H new ATOM 0 HB2 GLU A 78 3.485 43.176 27.019 1.00 30.24 H new ATOM 0 HB3 GLU A 78 4.412 44.187 27.762 1.00 30.24 H new ATOM 0 HG2 GLU A 78 4.127 44.087 24.948 1.00 34.39 H new ATOM 0 HG3 GLU A 78 3.509 45.201 25.848 1.00 34.39 H new ATOM 657 N GLU A 79 4.619 40.901 28.141 1.00 25.83 N ATOM 658 CA GLU A 79 4.599 39.925 29.213 1.00 26.96 C ATOM 659 C GLU A 79 5.843 39.014 29.248 1.00 25.54 C ATOM 660 O GLU A 79 6.384 38.772 30.311 1.00 22.76 O ATOM 661 CB GLU A 79 3.353 39.050 29.096 1.00 27.18 C ATOM 662 CG GLU A 79 2.069 39.706 29.637 1.00 33.94 C ATOM 663 CD GLU A 79 0.943 38.697 29.987 1.00 43.96 C ATOM 664 OE1 GLU A 79 1.082 37.472 29.740 1.00 42.25 O ATOM 665 OE2 GLU A 79 -0.121 39.147 30.552 1.00 48.56 O ATOM 0 H GLU A 79 3.964 40.836 27.587 1.00 25.83 H new ATOM 0 HA GLU A 79 4.594 40.435 30.038 1.00 26.96 H new ATOM 0 HB2 GLU A 79 3.218 38.819 28.164 1.00 27.18 H new ATOM 0 HB3 GLU A 79 3.507 38.220 29.574 1.00 27.18 H new ATOM 0 HG2 GLU A 79 2.289 40.219 30.430 1.00 33.94 H new ATOM 0 HG3 GLU A 79 1.735 40.333 28.977 1.00 33.94 H new ATOM 666 N ALA A 80 6.257 38.512 28.096 1.00 22.71 N ATOM 667 CA ALA A 80 7.522 37.714 27.966 1.00 22.80 C ATOM 668 C ALA A 80 8.726 38.512 28.468 1.00 22.70 C ATOM 669 O ALA A 80 9.552 37.989 29.262 1.00 22.12 O ATOM 670 CB ALA A 80 7.718 37.291 26.512 1.00 20.92 C ATOM 0 H ALA A 80 5.830 38.611 27.356 1.00 22.71 H new ATOM 0 HA ALA A 80 7.447 36.919 28.516 1.00 22.80 H new ATOM 0 HB1 ALA A 80 8.536 36.776 26.432 1.00 20.92 H new ATOM 0 HB2 ALA A 80 6.966 36.748 26.228 1.00 20.92 H new ATOM 0 HB3 ALA A 80 7.777 38.080 25.950 1.00 20.92 H new ATOM 671 N VAL A 81 8.796 39.801 28.162 1.00 23.03 N ATOM 672 CA VAL A 81 9.966 40.612 28.558 1.00 24.94 C ATOM 673 C VAL A 81 10.037 40.756 30.099 1.00 26.32 C ATOM 674 O VAL A 81 11.141 40.627 30.719 1.00 27.53 O ATOM 675 CB VAL A 81 9.930 41.989 27.885 1.00 26.63 C ATOM 676 CG1 VAL A 81 10.948 42.949 28.481 1.00 28.84 C ATOM 677 CG2 VAL A 81 10.188 41.794 26.426 1.00 27.89 C ATOM 0 H VAL A 81 8.189 40.231 27.730 1.00 23.03 H new ATOM 0 HA VAL A 81 10.766 40.152 28.259 1.00 24.94 H new ATOM 0 HB VAL A 81 9.059 42.389 28.031 1.00 26.63 H new ATOM 0 HG11 VAL A 81 10.891 43.804 28.027 1.00 28.84 H new ATOM 0 HG12 VAL A 81 10.763 43.071 29.425 1.00 28.84 H new ATOM 0 HG13 VAL A 81 11.840 42.584 28.371 1.00 28.84 H new ATOM 0 HG21 VAL A 81 10.170 42.653 25.976 1.00 27.89 H new ATOM 0 HG22 VAL A 81 11.058 41.383 26.303 1.00 27.89 H new ATOM 0 HG23 VAL A 81 9.503 41.219 26.050 1.00 27.89 H new ATOM 678 N THR A 82 8.866 40.993 30.687 1.00 24.88 N ATOM 679 CA THR A 82 8.705 41.139 32.131 1.00 25.98 C ATOM 680 C THR A 82 9.127 39.826 32.814 1.00 26.81 C ATOM 681 O THR A 82 9.794 39.860 33.812 1.00 25.32 O ATOM 682 CB THR A 82 7.257 41.449 32.439 1.00 26.19 C ATOM 683 OG1 THR A 82 6.923 42.697 31.790 1.00 30.35 O ATOM 684 CG2 THR A 82 7.011 41.586 33.980 1.00 27.75 C ATOM 0 H THR A 82 8.130 41.075 30.249 1.00 24.88 H new ATOM 0 HA THR A 82 9.259 41.863 32.461 1.00 25.98 H new ATOM 0 HB THR A 82 6.702 40.722 32.116 1.00 26.19 H new ATOM 0 HG1 THR A 82 6.757 42.556 30.979 1.00 30.35 H new ATOM 0 HG21 THR A 82 6.075 41.784 34.142 1.00 27.75 H new ATOM 0 HG22 THR A 82 7.246 40.754 34.421 1.00 27.75 H new ATOM 0 HG23 THR A 82 7.559 42.304 34.333 1.00 27.75 H new ATOM 685 N VAL A 83 8.790 38.680 32.189 1.00 26.62 N ATOM 686 CA VAL A 83 9.182 37.368 32.724 1.00 25.80 C ATOM 687 C VAL A 83 10.688 37.331 32.841 1.00 25.74 C ATOM 688 O VAL A 83 11.218 36.934 33.900 1.00 27.57 O ATOM 689 CB VAL A 83 8.560 36.171 31.869 1.00 24.98 C ATOM 690 CG1 VAL A 83 9.183 34.817 32.320 1.00 25.32 C ATOM 691 CG2 VAL A 83 7.055 36.127 32.071 1.00 25.57 C ATOM 0 H VAL A 83 8.337 38.646 31.459 1.00 26.62 H new ATOM 0 HA VAL A 83 8.814 37.240 33.612 1.00 25.80 H new ATOM 0 HB VAL A 83 8.757 36.317 30.931 1.00 24.98 H new ATOM 0 HG11 VAL A 83 8.801 34.095 31.797 1.00 25.32 H new ATOM 0 HG12 VAL A 83 10.143 34.841 32.184 1.00 25.32 H new ATOM 0 HG13 VAL A 83 8.993 34.670 33.260 1.00 25.32 H new ATOM 0 HG21 VAL A 83 6.680 35.399 31.551 1.00 25.57 H new ATOM 0 HG22 VAL A 83 6.858 35.987 33.011 1.00 25.57 H new ATOM 0 HG23 VAL A 83 6.665 36.966 31.781 1.00 25.57 H new ATOM 692 N LEU A 84 11.396 37.765 31.796 1.00 25.43 N ATOM 693 CA LEU A 84 12.857 37.747 31.773 1.00 25.51 C ATOM 694 C LEU A 84 13.429 38.783 32.739 1.00 28.02 C ATOM 695 O LEU A 84 14.426 38.504 33.456 1.00 24.38 O ATOM 696 CB LEU A 84 13.419 38.062 30.366 1.00 26.10 C ATOM 697 CG LEU A 84 13.143 36.901 29.347 1.00 25.72 C ATOM 698 CD1 LEU A 84 13.344 37.296 27.861 1.00 24.52 C ATOM 699 CD2 LEU A 84 13.970 35.709 29.699 1.00 23.17 C ATOM 0 H LEU A 84 11.039 38.079 31.079 1.00 25.43 H new ATOM 0 HA LEU A 84 13.120 36.851 32.035 1.00 25.51 H new ATOM 0 HB2 LEU A 84 13.020 38.882 30.036 1.00 26.10 H new ATOM 0 HB3 LEU A 84 14.375 38.216 30.428 1.00 26.10 H new ATOM 0 HG LEU A 84 12.201 36.686 29.427 1.00 25.72 H new ATOM 0 HD11 LEU A 84 13.156 36.531 27.294 1.00 24.52 H new ATOM 0 HD12 LEU A 84 12.741 38.022 27.634 1.00 24.52 H new ATOM 0 HD13 LEU A 84 14.260 37.582 27.723 1.00 24.52 H new ATOM 0 HD21 LEU A 84 13.795 34.995 29.066 1.00 23.17 H new ATOM 0 HD22 LEU A 84 14.910 35.946 29.667 1.00 23.17 H new ATOM 0 HD23 LEU A 84 13.743 35.410 30.593 1.00 23.17 H new ATOM 700 N GLU A 85 12.852 39.996 32.708 1.00 27.81 N ATOM 701 CA GLU A 85 13.185 40.995 33.745 1.00 29.31 C ATOM 702 C GLU A 85 12.938 40.517 35.191 1.00 28.98 C ATOM 703 O GLU A 85 13.805 40.726 36.040 1.00 32.38 O ATOM 704 CB GLU A 85 12.540 42.342 33.441 1.00 29.18 C ATOM 705 CG GLU A 85 13.258 42.990 32.241 1.00 31.10 C ATOM 706 CD GLU A 85 12.579 44.283 31.819 1.00 38.90 C ATOM 707 OE1 GLU A 85 11.552 44.649 32.436 1.00 41.03 O ATOM 708 OE2 GLU A 85 13.058 44.920 30.850 1.00 41.99 O ATOM 0 H GLU A 85 12.284 40.256 32.117 1.00 27.81 H new ATOM 0 HA GLU A 85 14.146 41.116 33.702 1.00 29.31 H new ATOM 0 HB2 GLU A 85 11.598 42.224 33.243 1.00 29.18 H new ATOM 0 HB3 GLU A 85 12.596 42.922 34.217 1.00 29.18 H new ATOM 0 HG2 GLU A 85 14.182 43.169 32.474 1.00 31.10 H new ATOM 0 HG3 GLU A 85 13.268 42.370 31.495 1.00 31.10 H new ATOM 709 N ASP A 86 11.835 39.829 35.472 1.00 29.02 N ATOM 710 CA ASP A 86 11.629 39.273 36.827 1.00 30.44 C ATOM 711 C ASP A 86 12.725 38.201 37.183 1.00 30.22 C ATOM 712 O ASP A 86 13.313 38.179 38.277 1.00 30.50 O ATOM 713 CB ASP A 86 10.230 38.648 36.994 1.00 28.76 C ATOM 714 CG ASP A 86 9.077 39.699 37.023 1.00 36.12 C ATOM 715 OD1 ASP A 86 9.398 40.908 37.161 1.00 38.07 O ATOM 716 OD2 ASP A 86 7.853 39.314 36.915 1.00 33.08 O ATOM 0 H ASP A 86 11.201 39.670 34.913 1.00 29.02 H new ATOM 0 HA ASP A 86 11.705 40.021 37.439 1.00 30.44 H new ATOM 0 HB2 ASP A 86 10.073 38.026 36.266 1.00 28.76 H new ATOM 0 HB3 ASP A 86 10.210 38.134 37.816 1.00 28.76 H new ATOM 717 N LEU A 87 13.042 37.348 36.244 1.00 29.92 N ATOM 718 CA LEU A 87 14.130 36.398 36.468 1.00 30.47 C ATOM 719 C LEU A 87 15.513 37.030 36.697 1.00 31.75 C ATOM 720 O LEU A 87 16.288 36.629 37.629 1.00 32.90 O ATOM 721 CB LEU A 87 14.124 35.356 35.319 1.00 28.94 C ATOM 722 CG LEU A 87 15.272 34.341 35.262 1.00 30.28 C ATOM 723 CD1 LEU A 87 15.148 33.395 36.493 1.00 24.24 C ATOM 724 CD2 LEU A 87 15.248 33.563 33.883 1.00 24.11 C ATOM 0 H LEU A 87 12.655 37.292 35.478 1.00 29.92 H new ATOM 0 HA LEU A 87 13.958 35.956 37.314 1.00 30.47 H new ATOM 0 HB2 LEU A 87 13.292 34.861 35.371 1.00 28.94 H new ATOM 0 HB3 LEU A 87 14.113 35.840 34.479 1.00 28.94 H new ATOM 0 HG LEU A 87 16.132 34.787 35.306 1.00 30.28 H new ATOM 0 HD11 LEU A 87 15.867 32.744 36.475 1.00 24.24 H new ATOM 0 HD12 LEU A 87 15.205 33.916 37.309 1.00 24.24 H new ATOM 0 HD13 LEU A 87 14.295 32.935 36.463 1.00 24.24 H new ATOM 0 HD21 LEU A 87 15.978 32.925 33.859 1.00 24.11 H new ATOM 0 HD22 LEU A 87 14.405 33.093 33.791 1.00 24.11 H new ATOM 0 HD23 LEU A 87 15.347 34.194 33.153 1.00 24.11 H new ATOM 725 N GLU A 88 15.892 37.958 35.829 1.00 32.88 N ATOM 726 CA GLU A 88 17.120 38.712 35.988 1.00 35.63 C ATOM 727 C GLU A 88 17.205 39.224 37.456 1.00 36.55 C ATOM 728 O GLU A 88 18.227 39.072 38.117 1.00 33.78 O ATOM 729 CB GLU A 88 17.091 39.896 35.043 1.00 36.53 C ATOM 730 CG GLU A 88 18.441 40.568 34.917 1.00 44.30 C ATOM 731 CD GLU A 88 18.575 41.199 33.554 1.00 53.28 C ATOM 732 OE1 GLU A 88 17.509 41.393 32.910 1.00 55.52 O ATOM 733 OE2 GLU A 88 19.721 41.468 33.122 1.00 55.52 O ATOM 0 H GLU A 88 15.440 38.167 35.128 1.00 32.88 H new ATOM 0 HA GLU A 88 17.888 38.154 35.790 1.00 35.63 H new ATOM 0 HB2 GLU A 88 16.797 39.600 34.167 1.00 36.53 H new ATOM 0 HB3 GLU A 88 16.439 40.542 35.358 1.00 36.53 H new ATOM 0 HG2 GLU A 88 18.540 41.243 35.606 1.00 44.30 H new ATOM 0 HG3 GLU A 88 19.148 39.918 35.052 1.00 44.30 H new ATOM 734 N SER A 89 16.098 39.791 37.941 1.00 36.96 N ATOM 735 CA ASER A 89 16.104 40.360 39.278 0.50 37.85 C ATOM 736 CA BSER A 89 16.010 40.357 39.291 0.50 38.20 C ATOM 737 C SER A 89 16.205 39.293 40.384 1.00 38.68 C ATOM 738 O SER A 89 16.884 39.514 41.382 1.00 38.55 O ATOM 739 CB ASER A 89 14.939 41.351 39.466 0.50 38.01 C ATOM 740 CB BSER A 89 14.666 41.096 39.458 0.50 38.29 C ATOM 741 OG ASER A 89 15.018 42.378 38.474 0.50 35.41 O ATOM 742 OG BSER A 89 14.220 41.099 40.795 0.50 38.21 O ATOM 0 H ASER A 89 15.351 39.853 37.519 0.50 36.96 H new ATOM 0 H BSER A 89 15.369 39.859 37.490 0.50 36.96 H new ATOM 0 HA ASER A 89 16.919 40.878 39.372 0.50 38.20 H new ATOM 0 HA BSER A 89 16.735 40.992 39.399 0.50 38.20 H new ATOM 0 HB2ASER A 89 14.091 40.885 39.395 0.50 38.29 H new ATOM 0 HB2BSER A 89 14.762 42.010 39.149 0.50 38.29 H new ATOM 0 HB3ASER A 89 14.975 41.742 40.353 0.50 38.29 H new ATOM 0 HB3BSER A 89 13.996 40.675 38.897 0.50 38.29 H new ATOM 0 HG ASER A 89 14.724 42.085 37.744 0.50 38.21 H new ATOM 0 HG BSER A 89 13.563 40.582 40.872 0.50 38.21 H new ATOM 743 N GLU A 90 15.579 38.132 40.199 1.00 39.17 N ATOM 744 CA GLU A 90 15.748 37.010 41.140 1.00 40.52 C ATOM 745 C GLU A 90 17.144 36.340 41.115 1.00 40.43 C ATOM 746 O GLU A 90 17.607 35.762 42.116 1.00 38.60 O ATOM 747 CB GLU A 90 14.614 35.997 41.006 1.00 42.16 C ATOM 748 CG GLU A 90 13.712 36.035 42.218 1.00 44.88 C ATOM 749 CD GLU A 90 12.527 35.162 42.092 1.00 51.95 C ATOM 750 OE1 GLU A 90 12.667 33.935 41.863 1.00 57.12 O ATOM 751 OE2 GLU A 90 11.412 35.695 42.261 1.00 54.08 O ATOM 0 H GLU A 90 15.053 37.968 39.539 1.00 39.17 H new ATOM 0 HA GLU A 90 15.696 37.409 42.023 1.00 40.52 H new ATOM 0 HB2 GLU A 90 14.097 36.188 40.207 1.00 42.16 H new ATOM 0 HB3 GLU A 90 14.982 35.106 40.900 1.00 42.16 H new ATOM 0 HG2 GLU A 90 14.220 35.769 43.000 1.00 44.88 H new ATOM 0 HG3 GLU A 90 13.419 36.948 42.367 1.00 44.88 H new ATOM 752 N LEU A 91 17.865 36.508 40.014 1.00 40.14 N ATOM 753 CA LEU A 91 19.222 35.987 39.958 1.00 42.47 C ATOM 754 C LEU A 91 20.301 36.993 40.417 1.00 44.04 C ATOM 755 O LEU A 91 21.459 36.598 40.631 1.00 44.03 O ATOM 756 CB LEU A 91 19.545 35.481 38.548 1.00 41.01 C ATOM 757 CG LEU A 91 18.743 34.269 38.074 1.00 41.61 C ATOM 758 CD1 LEU A 91 19.101 33.968 36.623 1.00 42.32 C ATOM 759 CD2 LEU A 91 18.953 33.026 38.925 1.00 40.42 C ATOM 0 H LEU A 91 17.595 36.911 39.304 1.00 40.14 H new ATOM 0 HA LEU A 91 19.248 35.252 40.591 1.00 42.47 H new ATOM 0 HB2 LEU A 91 19.401 36.207 37.922 1.00 41.01 H new ATOM 0 HB3 LEU A 91 20.488 35.257 38.511 1.00 41.01 H new ATOM 0 HG LEU A 91 17.805 34.501 38.160 1.00 41.61 H new ATOM 0 HD11 LEU A 91 18.594 33.199 36.317 1.00 42.32 H new ATOM 0 HD12 LEU A 91 18.887 34.736 36.071 1.00 42.32 H new ATOM 0 HD13 LEU A 91 20.050 33.777 36.557 1.00 42.32 H new ATOM 0 HD21 LEU A 91 18.418 32.298 38.572 1.00 40.42 H new ATOM 0 HD22 LEU A 91 19.890 32.776 38.908 1.00 40.42 H new ATOM 0 HD23 LEU A 91 18.685 33.210 39.839 1.00 40.42 H new ATOM 760 N ASP A 92 19.962 38.276 40.507 1.00 46.44 N ATOM 761 CA ASP A 92 20.969 39.261 40.907 1.00 49.17 C ATOM 762 C ASP A 92 20.910 39.493 42.404 1.00 49.94 C ATOM 763 O ASP A 92 21.948 39.396 43.049 1.00 51.03 O ATOM 764 CB ASP A 92 20.892 40.573 40.093 1.00 50.39 C ATOM 765 CG ASP A 92 21.144 40.345 38.573 1.00 54.61 C ATOM 766 OD1 ASP A 92 21.465 39.185 38.192 1.00 56.76 O ATOM 767 OD2 ASP A 92 21.013 41.298 37.760 1.00 54.96 O ATOM 0 H ASP A 92 19.179 38.593 40.347 1.00 46.44 H new ATOM 0 HA ASP A 92 21.841 38.892 40.696 1.00 49.17 H new ATOM 0 HB2 ASP A 92 20.019 40.976 40.216 1.00 50.39 H new ATOM 0 HB3 ASP A 92 21.546 41.202 40.436 1.00 50.39 H new TER 768 ASP A 92 ATOM 769 N GLY B 1 11.304 49.750 -6.556 1.00 25.12 N ATOM 770 CA GLY B 1 10.242 49.588 -5.516 1.00 28.27 C ATOM 771 C GLY B 1 10.809 49.087 -4.173 1.00 28.58 C ATOM 772 O GLY B 1 12.056 48.962 -3.982 1.00 27.87 O ATOM 0 H1 GLY B 1 11.226 50.550 -6.938 1.00 25.12 H new ATOM 0 H2 GLY B 1 12.106 49.681 -6.175 1.00 25.12 H new ATOM 0 H3 GLY B 1 11.214 49.116 -7.174 1.00 25.12 H new ATOM 0 HA2 GLY B 1 9.794 50.438 -5.379 1.00 28.27 H new ATOM 0 HA3 GLY B 1 9.572 48.963 -5.835 1.00 28.27 H new ATOM 773 N SER B 2 9.920 48.758 -3.252 1.00 27.60 N ATOM 774 CA SER B 2 10.365 48.227 -1.971 1.00 27.54 C ATOM 775 C SER B 2 10.764 46.756 -2.106 1.00 25.44 C ATOM 776 O SER B 2 10.527 46.131 -3.146 1.00 22.88 O ATOM 777 CB SER B 2 9.317 48.481 -0.857 1.00 30.36 C ATOM 778 OG SER B 2 8.058 48.020 -1.253 1.00 34.31 O ATOM 0 H SER B 2 9.068 48.831 -3.343 1.00 27.60 H new ATOM 0 HA SER B 2 11.162 48.706 -1.695 1.00 27.54 H new ATOM 0 HB2 SER B 2 9.589 48.033 -0.041 1.00 30.36 H new ATOM 0 HB3 SER B 2 9.272 49.429 -0.658 1.00 30.36 H new ATOM 0 HG SER B 2 7.649 48.633 -1.657 1.00 34.31 H new ATOM 779 N PRO B 3 11.413 46.192 -1.078 1.00 22.73 N ATOM 780 CA PRO B 3 11.819 44.809 -1.090 1.00 22.61 C ATOM 781 C PRO B 3 10.584 43.895 -1.316 1.00 24.01 C ATOM 782 O PRO B 3 9.468 44.257 -0.923 1.00 24.91 O ATOM 783 CB PRO B 3 12.290 44.565 0.345 1.00 21.48 C ATOM 784 CG PRO B 3 12.805 45.909 0.748 1.00 22.28 C ATOM 785 CD PRO B 3 11.850 46.897 0.155 1.00 23.12 C ATOM 0 HA PRO B 3 12.479 44.628 -1.777 1.00 22.61 H new ATOM 0 HB2 PRO B 3 11.565 44.269 0.918 1.00 21.48 H new ATOM 0 HB3 PRO B 3 12.981 43.886 0.388 1.00 21.48 H new ATOM 0 HG2 PRO B 3 12.841 45.994 1.714 1.00 22.28 H new ATOM 0 HG3 PRO B 3 13.706 46.052 0.417 1.00 22.28 H new ATOM 0 HD2 PRO B 3 11.107 47.087 0.749 1.00 23.12 H new ATOM 0 HD3 PRO B 3 12.279 47.744 -0.043 1.00 23.12 H new ATOM 786 N ASP B 4 10.797 42.777 -1.966 1.00 23.52 N ATOM 787 CA ASP B 4 9.802 41.696 -1.993 1.00 26.93 C ATOM 788 C ASP B 4 9.408 41.246 -0.563 1.00 25.19 C ATOM 789 O ASP B 4 10.242 41.220 0.296 1.00 24.16 O ATOM 790 CB ASP B 4 10.368 40.493 -2.736 1.00 26.66 C ATOM 791 CG ASP B 4 9.305 39.466 -3.031 1.00 34.19 C ATOM 792 OD1 ASP B 4 8.487 39.692 -3.983 1.00 39.99 O ATOM 793 OD2 ASP B 4 9.269 38.465 -2.278 1.00 37.20 O ATOM 0 H ASP B 4 11.515 42.609 -2.408 1.00 23.52 H new ATOM 0 HA ASP B 4 9.013 42.038 -2.443 1.00 26.93 H new ATOM 0 HB2 ASP B 4 10.773 40.787 -3.567 1.00 26.66 H new ATOM 0 HB3 ASP B 4 11.072 40.087 -2.206 1.00 26.66 H new ATOM 794 N PRO B 5 8.123 40.894 -0.341 1.00 25.96 N ATOM 795 CA PRO B 5 7.651 40.380 0.980 1.00 24.30 C ATOM 796 C PRO B 5 8.525 39.269 1.525 1.00 22.40 C ATOM 797 O PRO B 5 8.735 39.190 2.733 1.00 20.68 O ATOM 798 CB PRO B 5 6.258 39.839 0.644 1.00 27.65 C ATOM 799 CG PRO B 5 5.769 40.783 -0.452 1.00 24.92 C ATOM 800 CD PRO B 5 6.999 40.993 -1.318 1.00 25.21 C ATOM 0 HA PRO B 5 7.666 41.065 1.666 1.00 24.30 H new ATOM 0 HB2 PRO B 5 6.296 38.920 0.335 1.00 27.65 H new ATOM 0 HB3 PRO B 5 5.672 39.854 1.417 1.00 27.65 H new ATOM 0 HG2 PRO B 5 5.039 40.394 -0.958 1.00 24.92 H new ATOM 0 HG3 PRO B 5 5.445 41.620 -0.084 1.00 24.92 H new ATOM 0 HD2 PRO B 5 7.068 40.320 -2.013 1.00 25.21 H new ATOM 0 HD3 PRO B 5 6.983 41.856 -1.760 1.00 25.21 H new ATOM 801 N GLU B 6 9.046 38.391 0.671 1.00 21.57 N ATOM 802 CA GLU B 6 9.915 37.354 1.163 1.00 23.32 C ATOM 803 C GLU B 6 11.184 37.837 1.836 1.00 21.88 C ATOM 804 O GLU B 6 11.647 37.224 2.784 1.00 21.56 O ATOM 805 CB GLU B 6 10.265 36.346 0.002 1.00 24.04 C ATOM 806 CG GLU B 6 11.271 35.272 0.368 1.00 26.97 C ATOM 807 CD GLU B 6 10.700 34.116 1.232 1.00 29.79 C ATOM 808 OE1 GLU B 6 9.509 34.107 1.571 1.00 26.67 O ATOM 809 OE2 GLU B 6 11.512 33.231 1.614 1.00 37.40 O ATOM 0 H GLU B 6 8.907 38.385 -0.178 1.00 21.57 H new ATOM 0 HA GLU B 6 9.411 36.912 1.864 1.00 23.32 H new ATOM 0 HB2 GLU B 6 9.447 35.917 -0.293 1.00 24.04 H new ATOM 0 HB3 GLU B 6 10.609 36.849 -0.752 1.00 24.04 H new ATOM 0 HG2 GLU B 6 11.638 34.898 -0.448 1.00 26.97 H new ATOM 0 HG3 GLU B 6 12.007 35.685 0.847 1.00 26.97 H new ATOM 810 N ILE B 7 11.742 38.975 1.392 1.00 20.95 N ATOM 811 CA ILE B 7 12.941 39.559 2.068 1.00 20.29 C ATOM 812 C ILE B 7 12.569 40.011 3.454 1.00 20.17 C ATOM 813 O ILE B 7 13.261 39.738 4.446 1.00 19.42 O ATOM 814 CB ILE B 7 13.429 40.858 1.291 1.00 19.15 C ATOM 815 CG1 ILE B 7 13.853 40.496 -0.148 1.00 24.86 C ATOM 816 CG2 ILE B 7 14.488 41.629 2.102 1.00 19.82 C ATOM 817 CD1 ILE B 7 14.878 39.248 -0.188 1.00 30.82 C ATOM 0 H ILE B 7 11.456 39.423 0.716 1.00 20.95 H new ATOM 0 HA ILE B 7 13.634 38.881 2.086 1.00 20.29 H new ATOM 0 HB ILE B 7 12.690 41.479 1.198 1.00 19.15 H new ATOM 0 HG12 ILE B 7 13.065 40.282 -0.671 1.00 24.86 H new ATOM 0 HG13 ILE B 7 14.269 41.267 -0.564 1.00 24.86 H new ATOM 0 HG21 ILE B 7 14.767 42.414 1.606 1.00 19.82 H new ATOM 0 HG22 ILE B 7 14.109 41.902 2.952 1.00 19.82 H new ATOM 0 HG23 ILE B 7 15.255 41.057 2.259 1.00 19.82 H new ATOM 0 HD11 ILE B 7 15.118 39.055 -1.108 1.00 30.82 H new ATOM 0 HD12 ILE B 7 15.678 39.470 0.314 1.00 30.82 H new ATOM 0 HD13 ILE B 7 14.455 38.469 0.206 1.00 30.82 H new ATOM 818 N PHE B 8 11.413 40.693 3.550 1.00 20.37 N ATOM 819 CA PHE B 8 10.920 41.080 4.862 1.00 18.97 C ATOM 820 C PHE B 8 10.639 39.867 5.759 1.00 17.52 C ATOM 821 O PHE B 8 10.990 39.886 6.964 1.00 18.10 O ATOM 822 CB PHE B 8 9.657 41.966 4.742 1.00 19.11 C ATOM 823 CG PHE B 8 9.924 43.366 4.189 1.00 18.55 C ATOM 824 CD1 PHE B 8 10.899 44.202 4.740 1.00 17.81 C ATOM 825 CD2 PHE B 8 9.235 43.793 3.114 1.00 21.54 C ATOM 826 CE1 PHE B 8 11.133 45.551 4.260 1.00 21.85 C ATOM 827 CE2 PHE B 8 9.470 45.074 2.614 1.00 23.81 C ATOM 828 CZ PHE B 8 10.392 45.948 3.197 1.00 21.93 C ATOM 0 H PHE B 8 10.921 40.930 2.885 1.00 20.37 H new ATOM 0 HA PHE B 8 11.624 41.596 5.284 1.00 18.97 H new ATOM 0 HB2 PHE B 8 9.014 41.520 4.168 1.00 19.11 H new ATOM 0 HB3 PHE B 8 9.247 42.048 5.617 1.00 19.11 H new ATOM 0 HD1 PHE B 8 11.418 43.881 5.442 1.00 17.81 H new ATOM 0 HD2 PHE B 8 8.608 43.239 2.708 1.00 21.54 H new ATOM 0 HE1 PHE B 8 11.757 46.113 4.660 1.00 21.85 H new ATOM 0 HE2 PHE B 8 8.996 45.357 1.866 1.00 23.81 H new ATOM 0 HZ PHE B 8 10.497 46.806 2.854 1.00 21.93 H new ATOM 829 N ARG B 9 9.996 38.819 5.220 1.00 16.97 N ATOM 830 CA ARG B 9 9.653 37.661 6.044 1.00 17.84 C ATOM 831 C ARG B 9 10.979 37.046 6.551 1.00 18.22 C ATOM 832 O ARG B 9 11.130 36.710 7.717 1.00 17.56 O ATOM 833 CB ARG B 9 8.920 36.593 5.197 1.00 18.33 C ATOM 834 CG ARG B 9 8.450 35.355 6.081 1.00 17.60 C ATOM 835 CD ARG B 9 7.955 34.238 5.206 1.00 23.42 C ATOM 836 NE ARG B 9 9.101 33.626 4.519 1.00 18.10 N ATOM 837 CZ ARG B 9 9.964 32.763 5.068 1.00 24.33 C ATOM 838 NH1 ARG B 9 9.893 32.364 6.359 1.00 19.61 N ATOM 839 NH2 ARG B 9 10.942 32.280 4.303 1.00 25.20 N ATOM 0 H ARG B 9 9.756 38.764 4.396 1.00 16.97 H new ATOM 0 HA ARG B 9 9.077 37.937 6.774 1.00 17.84 H new ATOM 0 HB2 ARG B 9 8.149 36.995 4.767 1.00 18.33 H new ATOM 0 HB3 ARG B 9 9.508 36.281 4.491 1.00 18.33 H new ATOM 0 HG2 ARG B 9 9.188 35.042 6.627 1.00 17.60 H new ATOM 0 HG3 ARG B 9 7.746 35.633 6.688 1.00 17.60 H new ATOM 0 HD2 ARG B 9 7.491 33.574 5.740 1.00 23.42 H new ATOM 0 HD3 ARG B 9 7.318 34.577 4.558 1.00 23.42 H new ATOM 0 HE ARG B 9 9.228 33.840 3.696 1.00 18.10 H new ATOM 0 HH11 ARG B 9 9.271 32.667 6.869 1.00 19.61 H new ATOM 0 HH12 ARG B 9 10.470 31.807 6.669 1.00 19.61 H new ATOM 0 HH21 ARG B 9 11.005 32.524 3.481 1.00 25.20 H new ATOM 0 HH22 ARG B 9 11.510 31.724 4.631 1.00 25.20 H new ATOM 840 N GLN B 10 11.937 36.878 5.655 1.00 20.28 N ATOM 841 CA GLN B 10 13.261 36.263 6.090 1.00 22.08 C ATOM 842 C GLN B 10 13.930 37.104 7.139 1.00 21.89 C ATOM 843 O GLN B 10 14.531 36.571 8.050 1.00 22.52 O ATOM 844 CB GLN B 10 14.212 36.082 4.912 1.00 24.30 C ATOM 845 CG GLN B 10 13.783 34.869 4.060 1.00 28.62 C ATOM 846 CD GLN B 10 14.683 34.686 2.846 1.00 43.11 C ATOM 847 OE1 GLN B 10 15.309 35.665 2.333 1.00 47.25 O ATOM 848 NE2 GLN B 10 14.783 33.438 2.390 1.00 45.22 N ATOM 0 H GLN B 10 11.881 37.090 4.823 1.00 20.28 H new ATOM 0 HA GLN B 10 13.055 35.391 6.461 1.00 22.08 H new ATOM 0 HB2 GLN B 10 14.217 36.884 4.366 1.00 24.30 H new ATOM 0 HB3 GLN B 10 15.117 35.954 5.236 1.00 24.30 H new ATOM 0 HG2 GLN B 10 13.807 34.066 4.604 1.00 28.62 H new ATOM 0 HG3 GLN B 10 12.866 34.987 3.768 1.00 28.62 H new ATOM 0 HE21 GLN B 10 14.340 32.805 2.768 1.00 45.22 H new ATOM 0 HE22 GLN B 10 15.290 33.265 1.717 1.00 45.22 H new ATOM 849 N ARG B 11 13.897 38.422 6.989 1.00 20.21 N ATOM 850 CA ARG B 11 14.564 39.265 8.032 1.00 19.55 C ATOM 851 C ARG B 11 13.896 39.100 9.387 1.00 19.39 C ATOM 852 O ARG B 11 14.567 39.076 10.394 1.00 17.78 O ATOM 853 CB ARG B 11 14.584 40.751 7.611 1.00 20.20 C ATOM 854 CG ARG B 11 15.740 40.910 6.609 1.00 22.82 C ATOM 855 CD ARG B 11 15.833 42.247 6.005 1.00 23.13 C ATOM 856 NE ARG B 11 15.793 43.332 6.974 1.00 24.16 N ATOM 857 CZ ARG B 11 16.827 43.734 7.729 1.00 24.79 C ATOM 858 NH1 ARG B 11 16.670 44.762 8.519 1.00 25.49 N ATOM 859 NH2 ARG B 11 18.020 43.122 7.672 1.00 24.91 N ATOM 0 H ARG B 11 13.524 38.846 6.340 1.00 20.21 H new ATOM 0 HA ARG B 11 15.481 38.959 8.113 1.00 19.55 H new ATOM 0 HB2 ARG B 11 13.740 41.006 7.207 1.00 20.20 H new ATOM 0 HB3 ARG B 11 14.714 41.326 8.381 1.00 20.20 H new ATOM 0 HG2 ARG B 11 16.575 40.711 7.060 1.00 22.82 H new ATOM 0 HG3 ARG B 11 15.635 40.253 5.903 1.00 22.82 H new ATOM 0 HD2 ARG B 11 16.658 42.307 5.498 1.00 23.13 H new ATOM 0 HD3 ARG B 11 15.104 42.360 5.375 1.00 23.13 H new ATOM 0 HE ARG B 11 15.047 43.749 7.071 1.00 24.16 H new ATOM 0 HH11 ARG B 11 15.913 45.169 8.549 1.00 25.49 H new ATOM 0 HH12 ARG B 11 17.323 45.032 9.009 1.00 25.49 H new ATOM 0 HH21 ARG B 11 18.136 42.455 7.142 1.00 24.91 H new ATOM 0 HH22 ARG B 11 18.668 43.397 8.165 1.00 24.91 H new ATOM 860 N PHE B 12 12.561 38.997 9.394 1.00 18.99 N ATOM 861 CA PHE B 12 11.838 38.751 10.629 1.00 18.90 C ATOM 862 C PHE B 12 12.301 37.405 11.283 1.00 18.71 C ATOM 863 O PHE B 12 12.522 37.332 12.525 1.00 19.23 O ATOM 864 CB PHE B 12 10.330 38.804 10.339 1.00 16.17 C ATOM 865 CG PHE B 12 9.441 38.411 11.496 1.00 16.10 C ATOM 866 CD1 PHE B 12 9.516 39.060 12.718 1.00 15.32 C ATOM 867 CD2 PHE B 12 8.458 37.342 11.316 1.00 18.14 C ATOM 868 CE1 PHE B 12 8.703 38.698 13.783 1.00 18.00 C ATOM 869 CE2 PHE B 12 7.583 37.023 12.374 1.00 15.29 C ATOM 870 CZ PHE B 12 7.727 37.684 13.624 1.00 17.30 C ATOM 0 H PHE B 12 12.066 39.067 8.695 1.00 18.99 H new ATOM 0 HA PHE B 12 12.036 39.440 11.283 1.00 18.90 H new ATOM 0 HB2 PHE B 12 10.099 39.705 10.063 1.00 16.17 H new ATOM 0 HB3 PHE B 12 10.138 38.220 9.589 1.00 16.17 H new ATOM 0 HD1 PHE B 12 10.125 39.754 12.827 1.00 15.32 H new ATOM 0 HD2 PHE B 12 8.411 36.878 10.512 1.00 18.14 H new ATOM 0 HE1 PHE B 12 8.799 39.123 14.605 1.00 18.00 H new ATOM 0 HE2 PHE B 12 6.917 36.385 12.255 1.00 15.29 H new ATOM 0 HZ PHE B 12 7.180 37.450 14.339 1.00 17.30 H new ATOM 871 N ARG B 13 12.392 36.356 10.498 1.00 18.31 N ATOM 872 CA ARG B 13 12.740 35.047 11.033 1.00 20.46 C ATOM 873 C ARG B 13 14.246 34.892 11.365 1.00 22.03 C ATOM 874 O ARG B 13 14.591 34.006 12.157 1.00 23.44 O ATOM 875 CB ARG B 13 12.362 33.931 10.062 1.00 18.76 C ATOM 876 CG ARG B 13 10.849 33.878 9.726 1.00 17.35 C ATOM 877 CD ARG B 13 10.087 33.636 11.082 1.00 19.20 C ATOM 878 NE ARG B 13 8.626 33.547 10.841 1.00 19.27 N ATOM 879 CZ ARG B 13 7.694 33.547 11.788 1.00 18.48 C ATOM 880 NH1 ARG B 13 8.034 33.612 13.046 1.00 20.38 N ATOM 881 NH2 ARG B 13 6.404 33.545 11.465 1.00 20.73 N ATOM 0 H ARG B 13 12.257 36.373 9.649 1.00 18.31 H new ATOM 0 HA ARG B 13 12.233 34.976 11.857 1.00 20.46 H new ATOM 0 HB2 ARG B 13 12.863 34.046 9.240 1.00 18.76 H new ATOM 0 HB3 ARG B 13 12.630 33.079 10.441 1.00 18.76 H new ATOM 0 HG2 ARG B 13 10.560 34.706 9.312 1.00 17.35 H new ATOM 0 HG3 ARG B 13 10.662 33.165 9.095 1.00 17.35 H new ATOM 0 HD2 ARG B 13 10.403 32.818 11.497 1.00 19.20 H new ATOM 0 HD3 ARG B 13 10.276 34.359 11.700 1.00 19.20 H new ATOM 0 HE ARG B 13 8.362 33.491 10.025 1.00 19.27 H new ATOM 0 HH11 ARG B 13 8.864 33.655 13.265 1.00 20.38 H new ATOM 0 HH12 ARG B 13 7.428 33.612 13.656 1.00 20.38 H new ATOM 0 HH21 ARG B 13 6.168 33.544 10.638 1.00 20.73 H new ATOM 0 HH22 ARG B 13 5.806 33.545 12.083 1.00 20.73 H new ATOM 882 N GLN B 14 15.089 35.712 10.736 1.00 23.63 N ATOM 883 CA GLN B 14 16.583 35.596 10.844 1.00 25.34 C ATOM 884 C GLN B 14 17.142 36.562 11.913 1.00 26.08 C ATOM 885 O GLN B 14 18.307 36.445 12.311 1.00 24.86 O ATOM 886 CB GLN B 14 17.272 35.909 9.519 1.00 24.43 C ATOM 887 CG GLN B 14 17.225 34.699 8.560 1.00 29.10 C ATOM 888 CD GLN B 14 17.669 35.028 7.141 1.00 35.85 C ATOM 889 OE1 GLN B 14 18.279 36.096 6.868 1.00 40.64 O ATOM 890 NE2 GLN B 14 17.397 34.105 6.213 1.00 33.47 N ATOM 0 H GLN B 14 14.828 36.357 10.230 1.00 23.63 H new ATOM 0 HA GLN B 14 16.766 34.677 11.096 1.00 25.34 H new ATOM 0 HB2 GLN B 14 16.842 36.672 9.101 1.00 24.43 H new ATOM 0 HB3 GLN B 14 18.195 36.158 9.683 1.00 24.43 H new ATOM 0 HG2 GLN B 14 17.791 33.994 8.913 1.00 29.10 H new ATOM 0 HG3 GLN B 14 16.320 34.351 8.535 1.00 29.10 H new ATOM 0 HE21 GLN B 14 16.979 33.386 6.431 1.00 33.47 H new ATOM 0 HE22 GLN B 14 17.640 34.230 5.398 1.00 33.47 H new ATOM 891 N PHE B 15 16.319 37.488 12.421 1.00 25.63 N ATOM 892 CA PHE B 15 16.790 38.390 13.507 1.00 25.53 C ATOM 893 C PHE B 15 17.208 37.539 14.712 1.00 26.84 C ATOM 894 O PHE B 15 16.492 36.597 15.104 1.00 25.75 O ATOM 895 CB PHE B 15 15.665 39.352 13.939 1.00 23.88 C ATOM 896 CG PHE B 15 15.996 40.232 15.086 1.00 25.03 C ATOM 897 CD1 PHE B 15 16.651 41.456 14.880 1.00 28.64 C ATOM 898 CD2 PHE B 15 15.606 39.899 16.364 1.00 24.16 C ATOM 899 CE1 PHE B 15 16.948 42.310 15.949 1.00 30.31 C ATOM 900 CE2 PHE B 15 15.860 40.771 17.454 1.00 29.13 C ATOM 901 CZ PHE B 15 16.531 41.981 17.243 1.00 24.31 C ATOM 0 H PHE B 15 15.507 37.615 12.166 1.00 25.63 H new ATOM 0 HA PHE B 15 17.540 38.911 13.181 1.00 25.53 H new ATOM 0 HB2 PHE B 15 15.425 39.908 13.181 1.00 23.88 H new ATOM 0 HB3 PHE B 15 14.881 38.829 14.166 1.00 23.88 H new ATOM 0 HD1 PHE B 15 16.892 41.705 14.017 1.00 28.64 H new ATOM 0 HD2 PHE B 15 15.170 39.091 16.515 1.00 24.16 H new ATOM 0 HE1 PHE B 15 17.422 43.096 15.799 1.00 30.31 H new ATOM 0 HE2 PHE B 15 15.580 40.538 18.310 1.00 29.13 H new ATOM 0 HZ PHE B 15 16.697 42.558 17.953 1.00 24.31 H new ATOM 902 N GLY B 16 18.347 37.914 15.312 1.00 26.89 N ATOM 903 CA GLY B 16 19.014 37.051 16.321 1.00 29.06 C ATOM 904 C GLY B 16 18.923 37.727 17.670 1.00 30.05 C ATOM 905 O GLY B 16 18.995 38.961 17.757 1.00 31.94 O ATOM 0 H GLY B 16 18.752 38.656 15.155 1.00 26.89 H new ATOM 0 HA2 GLY B 16 18.589 36.179 16.352 1.00 29.06 H new ATOM 0 HA3 GLY B 16 19.942 36.906 16.079 1.00 29.06 H new ATOM 906 N TYR B 17 18.722 36.958 18.721 1.00 31.45 N ATOM 907 CA TYR B 17 18.645 37.540 20.056 1.00 33.62 C ATOM 908 C TYR B 17 19.870 38.384 20.437 1.00 36.20 C ATOM 909 O TYR B 17 19.737 39.455 21.104 1.00 37.53 O ATOM 910 CB TYR B 17 18.445 36.475 21.108 1.00 32.42 C ATOM 911 CG TYR B 17 18.032 37.024 22.465 1.00 35.24 C ATOM 912 CD1 TYR B 17 16.758 37.635 22.645 1.00 37.51 C ATOM 913 CD2 TYR B 17 18.872 36.902 23.561 1.00 35.41 C ATOM 914 CE1 TYR B 17 16.360 38.108 23.901 1.00 39.13 C ATOM 915 CE2 TYR B 17 18.498 37.389 24.834 1.00 38.26 C ATOM 916 CZ TYR B 17 17.253 37.974 25.000 1.00 42.68 C ATOM 917 OH TYR B 17 16.869 38.417 26.251 1.00 41.58 O ATOM 0 H TYR B 17 18.628 36.104 18.690 1.00 31.45 H new ATOM 0 HA TYR B 17 17.878 38.133 20.025 1.00 33.62 H new ATOM 0 HB2 TYR B 17 17.768 35.852 20.801 1.00 32.42 H new ATOM 0 HB3 TYR B 17 19.269 35.973 21.209 1.00 32.42 H new ATOM 0 HD1 TYR B 17 16.183 37.721 21.919 1.00 37.51 H new ATOM 0 HD2 TYR B 17 19.700 36.491 23.456 1.00 35.41 H new ATOM 0 HE1 TYR B 17 15.526 38.503 24.015 1.00 39.13 H new ATOM 0 HE2 TYR B 17 19.082 37.317 25.554 1.00 38.26 H new ATOM 0 HH TYR B 17 17.488 38.276 26.801 1.00 41.58 H new ATOM 918 N GLN B 18 21.043 37.975 20.020 1.00 38.13 N ATOM 919 CA GLN B 18 22.204 38.832 20.374 1.00 42.42 C ATOM 920 C GLN B 18 22.387 40.055 19.485 1.00 43.40 C ATOM 921 O GLN B 18 23.373 40.772 19.647 1.00 44.43 O ATOM 922 CB GLN B 18 23.511 38.031 20.541 1.00 42.87 C ATOM 923 CG GLN B 18 23.852 37.092 19.343 1.00 48.85 C ATOM 924 CD GLN B 18 25.041 36.123 19.607 1.00 56.03 C ATOM 925 OE1 GLN B 18 25.509 35.999 20.779 1.00 58.14 O ATOM 926 NE2 GLN B 18 25.514 35.498 18.614 1.00 57.19 N ATOM 0 H GLN B 18 21.208 37.264 19.565 1.00 38.13 H new ATOM 0 HA GLN B 18 21.976 39.190 21.246 1.00 42.42 H new ATOM 0 HB2 GLN B 18 24.244 38.653 20.668 1.00 42.87 H new ATOM 0 HB3 GLN B 18 23.449 37.497 21.348 1.00 42.87 H new ATOM 0 HG2 GLN B 18 23.066 36.569 19.121 1.00 48.85 H new ATOM 0 HG3 GLN B 18 24.058 37.637 18.567 1.00 48.85 H new ATOM 0 HE21 GLN B 18 25.170 35.608 17.833 1.00 57.19 H new ATOM 0 HE22 GLN B 18 26.179 34.964 18.720 1.00 57.19 H new ATOM 927 N ASP B 19 21.418 40.328 18.597 1.00 43.17 N ATOM 928 CA ASP B 19 21.452 41.525 17.731 1.00 43.27 C ATOM 929 C ASP B 19 20.999 42.772 18.463 1.00 43.25 C ATOM 930 O ASP B 19 21.085 43.871 17.901 1.00 43.44 O ATOM 931 CB ASP B 19 20.516 41.430 16.508 1.00 42.41 C ATOM 932 CG ASP B 19 20.986 40.437 15.455 1.00 45.33 C ATOM 933 OD1 ASP B 19 22.119 39.895 15.573 1.00 48.00 O ATOM 934 OD2 ASP B 19 20.200 40.192 14.510 1.00 41.86 O ATOM 0 H ASP B 19 20.727 39.830 18.479 1.00 43.17 H new ATOM 0 HA ASP B 19 22.381 41.574 17.455 1.00 43.27 H new ATOM 0 HB2 ASP B 19 19.629 41.176 16.808 1.00 42.41 H new ATOM 0 HB3 ASP B 19 20.437 42.307 16.102 1.00 42.41 H new ATOM 935 N SER B 20 20.420 42.627 19.653 1.00 41.62 N ATOM 936 CA SER B 20 19.956 43.817 20.326 1.00 41.13 C ATOM 937 C SER B 20 20.488 43.738 21.753 1.00 41.50 C ATOM 938 O SER B 20 20.965 42.683 22.150 1.00 40.76 O ATOM 939 CB SER B 20 18.430 43.995 20.183 1.00 41.67 C ATOM 940 OG SER B 20 17.767 43.040 20.932 1.00 41.93 O ATOM 0 H SER B 20 20.294 41.883 20.066 1.00 41.62 H new ATOM 0 HA SER B 20 20.297 44.631 19.923 1.00 41.13 H new ATOM 0 HB2 SER B 20 18.172 44.883 20.477 1.00 41.67 H new ATOM 0 HB3 SER B 20 18.175 43.919 19.250 1.00 41.67 H new ATOM 0 HG SER B 20 17.395 43.408 21.589 1.00 41.93 H new ATOM 941 N PRO B 21 20.454 44.862 22.493 1.00 42.21 N ATOM 942 CA PRO B 21 21.065 44.950 23.837 1.00 41.51 C ATOM 943 C PRO B 21 20.233 44.282 24.932 1.00 39.74 C ATOM 944 O PRO B 21 20.723 44.144 26.023 1.00 40.95 O ATOM 945 CB PRO B 21 21.122 46.456 24.109 1.00 42.20 C ATOM 946 CG PRO B 21 20.895 47.134 22.774 1.00 42.70 C ATOM 947 CD PRO B 21 20.040 46.195 21.994 1.00 42.59 C ATOM 0 HA PRO B 21 21.922 44.496 23.851 1.00 41.51 H new ATOM 0 HB2 PRO B 21 20.444 46.718 24.751 1.00 42.20 H new ATOM 0 HB3 PRO B 21 21.980 46.708 24.484 1.00 42.20 H new ATOM 0 HG2 PRO B 21 20.458 47.993 22.888 1.00 42.70 H new ATOM 0 HG3 PRO B 21 21.735 47.301 22.319 1.00 42.70 H new ATOM 0 HD2 PRO B 21 19.096 46.358 22.149 1.00 42.59 H new ATOM 0 HD3 PRO B 21 20.190 46.283 21.040 1.00 42.59 H new ATOM 948 N GLY B 22 19.020 43.821 24.650 1.00 37.15 N ATOM 949 CA GLY B 22 18.190 43.232 25.710 1.00 35.10 C ATOM 950 C GLY B 22 16.818 42.849 25.227 1.00 32.35 C ATOM 951 O GLY B 22 16.454 43.218 24.094 1.00 32.49 O ATOM 0 H GLY B 22 18.659 43.836 23.869 1.00 37.15 H new ATOM 0 HA2 GLY B 22 18.635 42.447 26.065 1.00 35.10 H new ATOM 0 HA3 GLY B 22 18.107 43.865 26.440 1.00 35.10 H new ATOM 952 N PRO B 23 16.030 42.179 26.082 1.00 30.35 N ATOM 953 CA PRO B 23 14.777 41.625 25.566 1.00 29.81 C ATOM 954 C PRO B 23 13.796 42.706 25.150 1.00 28.86 C ATOM 955 O PRO B 23 13.122 42.550 24.130 1.00 26.84 O ATOM 956 CB PRO B 23 14.232 40.799 26.741 1.00 29.35 C ATOM 957 CG PRO B 23 14.873 41.416 27.944 1.00 32.69 C ATOM 958 CD PRO B 23 16.229 41.842 27.500 1.00 28.88 C ATOM 0 HA PRO B 23 14.915 41.099 24.763 1.00 29.81 H new ATOM 0 HB2 PRO B 23 13.264 40.847 26.790 1.00 29.35 H new ATOM 0 HB3 PRO B 23 14.466 39.862 26.655 1.00 29.35 H new ATOM 0 HG2 PRO B 23 14.357 42.172 28.265 1.00 32.69 H new ATOM 0 HG3 PRO B 23 14.929 40.780 28.674 1.00 32.69 H new ATOM 0 HD2 PRO B 23 16.549 42.604 28.008 1.00 28.88 H new ATOM 0 HD3 PRO B 23 16.881 41.133 27.611 1.00 28.88 H new ATOM 959 N ARG B 24 13.682 43.799 25.918 1.00 27.89 N ATOM 960 CA ARG B 24 12.786 44.866 25.475 1.00 29.73 C ATOM 961 C ARG B 24 13.082 45.399 24.065 1.00 28.27 C ATOM 962 O ARG B 24 12.184 45.614 23.252 1.00 28.43 O ATOM 963 CB ARG B 24 12.746 46.050 26.477 1.00 29.62 C ATOM 964 CG ARG B 24 11.337 46.687 26.421 1.00 36.35 C ATOM 965 CD ARG B 24 10.857 47.318 27.704 1.00 38.87 C ATOM 966 NE ARG B 24 10.456 46.412 28.793 1.00 42.89 N ATOM 967 CZ ARG B 24 9.266 45.827 28.881 1.00 45.43 C ATOM 968 NH1 ARG B 24 8.357 46.010 27.938 1.00 50.80 N ATOM 969 NH2 ARG B 24 8.963 45.045 29.897 1.00 47.32 N ATOM 0 H ARG B 24 14.093 43.936 26.661 1.00 27.89 H new ATOM 0 HA ARG B 24 11.915 44.441 25.440 1.00 29.73 H new ATOM 0 HB2 ARG B 24 12.941 45.739 27.375 1.00 29.62 H new ATOM 0 HB3 ARG B 24 13.423 46.707 26.251 1.00 29.62 H new ATOM 0 HG2 ARG B 24 11.332 47.363 25.725 1.00 36.35 H new ATOM 0 HG3 ARG B 24 10.701 46.004 26.157 1.00 36.35 H new ATOM 0 HD2 ARG B 24 11.562 47.894 28.037 1.00 38.87 H new ATOM 0 HD3 ARG B 24 10.101 47.888 27.494 1.00 38.87 H new ATOM 0 HE ARG B 24 11.030 46.251 29.413 1.00 42.89 H new ATOM 0 HH11 ARG B 24 8.534 46.511 27.261 1.00 50.80 H new ATOM 0 HH12 ARG B 24 7.589 45.628 28.001 1.00 50.80 H new ATOM 0 HH21 ARG B 24 9.540 44.905 30.519 1.00 47.32 H new ATOM 0 HH22 ARG B 24 8.188 44.674 29.938 1.00 47.32 H new ATOM 970 N GLU B 25 14.352 45.604 23.781 1.00 28.32 N ATOM 971 CA GLU B 25 14.761 46.062 22.478 1.00 29.05 C ATOM 972 C GLU B 25 14.469 45.010 21.377 1.00 27.67 C ATOM 973 O GLU B 25 14.024 45.353 20.292 1.00 26.49 O ATOM 974 CB GLU B 25 16.249 46.403 22.522 1.00 31.37 C ATOM 975 CG GLU B 25 16.577 47.628 23.476 1.00 35.83 C ATOM 976 CD GLU B 25 16.908 47.243 24.938 1.00 43.83 C ATOM 977 OE1 GLU B 25 16.475 46.175 25.463 1.00 37.48 O ATOM 978 OE2 GLU B 25 17.644 48.055 25.582 1.00 46.71 O ATOM 0 H GLU B 25 14.997 45.482 24.336 1.00 28.32 H new ATOM 0 HA GLU B 25 14.248 46.853 22.250 1.00 29.05 H new ATOM 0 HB2 GLU B 25 16.745 45.625 22.821 1.00 31.37 H new ATOM 0 HB3 GLU B 25 16.555 46.607 21.625 1.00 31.37 H new ATOM 0 HG2 GLU B 25 17.328 48.117 23.106 1.00 35.83 H new ATOM 0 HG3 GLU B 25 15.818 48.232 23.478 1.00 35.83 H new ATOM 979 N ALA B 26 14.784 43.751 21.661 1.00 24.97 N ATOM 980 CA ALA B 26 14.556 42.653 20.711 1.00 25.76 C ATOM 981 C ALA B 26 13.078 42.622 20.338 1.00 24.81 C ATOM 982 O ALA B 26 12.704 42.505 19.167 1.00 22.87 O ATOM 983 CB ALA B 26 15.027 41.272 21.328 1.00 24.87 C ATOM 0 H ALA B 26 15.135 43.504 22.406 1.00 24.97 H new ATOM 0 HA ALA B 26 15.080 42.800 19.908 1.00 25.76 H new ATOM 0 HB1 ALA B 26 14.869 40.561 20.688 1.00 24.87 H new ATOM 0 HB2 ALA B 26 15.974 41.316 21.535 1.00 24.87 H new ATOM 0 HB3 ALA B 26 14.527 41.093 22.140 1.00 24.87 H new ATOM 984 N VAL B 27 12.221 42.715 21.343 1.00 24.96 N ATOM 985 CA VAL B 27 10.767 42.619 21.052 1.00 26.76 C ATOM 986 C VAL B 27 10.361 43.805 20.182 1.00 25.57 C ATOM 987 O VAL B 27 9.626 43.618 19.257 1.00 23.82 O ATOM 988 CB VAL B 27 9.910 42.617 22.298 1.00 25.98 C ATOM 989 CG1 VAL B 27 8.467 42.929 21.940 1.00 31.57 C ATOM 990 CG2 VAL B 27 9.923 41.201 22.983 1.00 27.55 C ATOM 0 H VAL B 27 12.431 42.829 22.169 1.00 24.96 H new ATOM 0 HA VAL B 27 10.620 41.773 20.600 1.00 26.76 H new ATOM 0 HB VAL B 27 10.272 43.286 22.900 1.00 25.98 H new ATOM 0 HG11 VAL B 27 7.926 42.925 22.745 1.00 31.57 H new ATOM 0 HG12 VAL B 27 8.419 43.803 21.522 1.00 31.57 H new ATOM 0 HG13 VAL B 27 8.134 42.258 21.324 1.00 31.57 H new ATOM 0 HG21 VAL B 27 9.368 41.221 23.779 1.00 27.55 H new ATOM 0 HG22 VAL B 27 9.577 40.539 22.365 1.00 27.55 H new ATOM 0 HG23 VAL B 27 10.832 40.969 23.229 1.00 27.55 H new ATOM 991 N SER B 28 10.807 45.026 20.509 1.00 25.56 N ATOM 992 CA ASER B 28 10.550 46.197 19.632 0.50 25.32 C ATOM 993 CA BSER B 28 10.553 46.186 19.632 0.50 26.61 C ATOM 994 C SER B 28 11.013 46.001 18.170 1.00 25.89 C ATOM 995 O SER B 28 10.270 46.355 17.210 1.00 23.47 O ATOM 996 CB ASER B 28 11.160 47.496 20.226 0.50 25.94 C ATOM 997 CB BSER B 28 11.170 47.460 20.244 0.50 27.44 C ATOM 998 OG ASER B 28 11.310 48.487 19.212 0.50 21.36 O ATOM 999 OG BSER B 28 10.399 47.872 21.344 0.50 31.02 O ATOM 0 H ASER B 28 11.254 45.203 21.222 0.50 25.56 H new ATOM 0 H BSER B 28 11.252 45.205 21.223 0.50 25.56 H new ATOM 0 HA ASER B 28 9.584 46.285 19.602 0.50 26.61 H new ATOM 0 HA BSER B 28 9.588 46.274 19.583 0.50 26.61 H new ATOM 0 HB2ASER B 28 10.589 47.834 20.934 0.50 27.44 H new ATOM 0 HB2BSER B 28 12.083 47.287 20.523 0.50 27.44 H new ATOM 0 HB3ASER B 28 12.022 47.301 20.626 0.50 27.44 H new ATOM 0 HB3BSER B 28 11.205 48.165 19.579 0.50 27.44 H new ATOM 0 HG ASER B 28 11.639 49.183 19.547 0.50 31.02 H new ATOM 0 HG BSER B 28 10.736 48.565 21.679 0.50 31.02 H new ATOM 1000 N GLN B 29 12.258 45.524 17.969 1.00 24.93 N ATOM 1001 CA GLN B 29 12.764 45.271 16.625 1.00 24.64 C ATOM 1002 C GLN B 29 11.911 44.193 15.836 1.00 22.55 C ATOM 1003 O GLN B 29 11.619 44.371 14.647 1.00 20.34 O ATOM 1004 CB GLN B 29 14.256 44.855 16.688 1.00 24.66 C ATOM 1005 CG GLN B 29 14.892 44.649 15.371 1.00 32.69 C ATOM 1006 CD GLN B 29 15.294 45.949 14.673 1.00 40.36 C ATOM 1007 OE1 GLN B 29 15.108 47.070 15.201 1.00 40.62 O ATOM 1008 NE2 GLN B 29 15.833 45.798 13.462 1.00 44.11 N ATOM 0 H GLN B 29 12.814 45.345 18.600 1.00 24.93 H new ATOM 0 HA GLN B 29 12.681 46.100 16.128 1.00 24.64 H new ATOM 0 HB2 GLN B 29 14.750 45.537 17.170 1.00 24.66 H new ATOM 0 HB3 GLN B 29 14.330 44.035 17.202 1.00 24.66 H new ATOM 0 HG2 GLN B 29 15.680 44.095 15.484 1.00 32.69 H new ATOM 0 HG3 GLN B 29 14.281 44.159 14.799 1.00 32.69 H new ATOM 0 HE21 GLN B 29 15.944 45.010 13.136 1.00 44.11 H new ATOM 0 HE22 GLN B 29 16.070 46.489 13.008 1.00 44.11 H new ATOM 1009 N LEU B 30 11.548 43.116 16.519 1.00 21.06 N ATOM 1010 CA LEU B 30 10.724 42.053 15.952 1.00 21.02 C ATOM 1011 C LEU B 30 9.384 42.623 15.526 1.00 20.09 C ATOM 1012 O LEU B 30 8.920 42.306 14.441 1.00 19.14 O ATOM 1013 CB LEU B 30 10.537 40.900 16.953 1.00 20.45 C ATOM 1014 CG LEU B 30 11.747 39.946 17.120 1.00 19.95 C ATOM 1015 CD1 LEU B 30 11.500 38.960 18.232 1.00 20.96 C ATOM 1016 CD2 LEU B 30 12.020 39.148 15.792 1.00 17.40 C ATOM 0 H LEU B 30 11.776 42.978 17.337 1.00 21.06 H new ATOM 0 HA LEU B 30 11.175 41.690 15.174 1.00 21.02 H new ATOM 0 HB2 LEU B 30 10.324 41.279 17.820 1.00 20.45 H new ATOM 0 HB3 LEU B 30 9.769 40.376 16.676 1.00 20.45 H new ATOM 0 HG LEU B 30 12.519 40.493 17.334 1.00 19.95 H new ATOM 0 HD11 LEU B 30 12.267 38.373 18.321 1.00 20.96 H new ATOM 0 HD12 LEU B 30 11.362 39.439 19.064 1.00 20.96 H new ATOM 0 HD13 LEU B 30 10.712 38.433 18.028 1.00 20.96 H new ATOM 0 HD21 LEU B 30 12.780 38.558 15.919 1.00 17.40 H new ATOM 0 HD22 LEU B 30 11.238 38.622 15.564 1.00 17.40 H new ATOM 0 HD23 LEU B 30 12.211 39.771 15.073 1.00 17.40 H new ATOM 1017 N ARG B 31 8.777 43.492 16.352 1.00 19.67 N ATOM 1018 CA ARG B 31 7.539 44.122 15.953 1.00 20.48 C ATOM 1019 C ARG B 31 7.662 44.879 14.669 1.00 20.73 C ATOM 1020 O ARG B 31 6.770 44.774 13.795 1.00 21.05 O ATOM 1021 CB ARG B 31 6.968 45.109 17.007 1.00 21.66 C ATOM 1022 CG ARG B 31 6.375 44.484 18.230 1.00 24.96 C ATOM 1023 CD ARG B 31 5.384 45.535 18.949 1.00 27.48 C ATOM 1024 NE ARG B 31 5.099 44.934 20.236 1.00 28.48 N ATOM 1025 CZ ARG B 31 5.813 45.146 21.313 1.00 30.19 C ATOM 1026 NH1 ARG B 31 6.813 46.037 21.284 1.00 37.08 N ATOM 1027 NH2 ARG B 31 5.505 44.487 22.428 1.00 36.49 N ATOM 0 H ARG B 31 9.069 43.717 17.129 1.00 19.67 H new ATOM 0 HA ARG B 31 6.932 43.372 15.851 1.00 20.48 H new ATOM 0 HB2 ARG B 31 7.679 45.708 17.283 1.00 21.66 H new ATOM 0 HB3 ARG B 31 6.288 45.653 16.580 1.00 21.66 H new ATOM 0 HG2 ARG B 31 5.889 43.680 17.990 1.00 24.96 H new ATOM 0 HG3 ARG B 31 7.079 44.218 18.842 1.00 24.96 H new ATOM 0 HD2 ARG B 31 5.802 46.405 19.049 1.00 27.48 H new ATOM 0 HD3 ARG B 31 4.574 45.668 18.433 1.00 27.48 H new ATOM 0 HE ARG B 31 4.422 44.408 20.296 1.00 28.48 H new ATOM 0 HH11 ARG B 31 6.984 46.468 20.560 1.00 37.08 H new ATOM 0 HH12 ARG B 31 7.284 46.178 21.990 1.00 37.08 H new ATOM 0 HH21 ARG B 31 4.847 43.933 22.432 1.00 36.49 H new ATOM 0 HH22 ARG B 31 5.964 44.615 23.144 1.00 36.49 H new ATOM 1028 N GLU B 32 8.726 45.692 14.567 1.00 21.11 N ATOM 1029 CA GLU B 32 8.965 46.477 13.378 1.00 20.73 C ATOM 1030 C GLU B 32 9.202 45.588 12.155 1.00 20.43 C ATOM 1031 O GLU B 32 8.611 45.831 11.090 1.00 20.46 O ATOM 1032 CB GLU B 32 10.180 47.341 13.655 1.00 22.25 C ATOM 1033 CG GLU B 32 10.798 48.024 12.480 1.00 29.51 C ATOM 1034 CD GLU B 32 11.818 49.079 12.971 1.00 39.58 C ATOM 1035 OE1 GLU B 32 11.498 49.892 13.903 1.00 43.99 O ATOM 1036 OE2 GLU B 32 12.943 49.065 12.450 1.00 40.72 O ATOM 0 H GLU B 32 9.315 45.793 15.185 1.00 21.11 H new ATOM 0 HA GLU B 32 8.188 47.022 13.175 1.00 20.73 H new ATOM 0 HB2 GLU B 32 9.929 48.019 14.302 1.00 22.25 H new ATOM 0 HB3 GLU B 32 10.857 46.787 14.074 1.00 22.25 H new ATOM 0 HG2 GLU B 32 11.240 47.374 11.912 1.00 29.51 H new ATOM 0 HG3 GLU B 32 10.111 48.450 11.944 1.00 29.51 H new ATOM 1037 N LEU B 33 10.046 44.544 12.292 1.00 18.10 N ATOM 1038 CA LEU B 33 10.239 43.564 11.145 1.00 18.19 C ATOM 1039 C LEU B 33 8.960 42.883 10.771 1.00 17.25 C ATOM 1040 O LEU B 33 8.635 42.702 9.591 1.00 17.28 O ATOM 1041 CB LEU B 33 11.321 42.473 11.459 1.00 17.02 C ATOM 1042 CG LEU B 33 12.644 43.164 11.818 1.00 22.41 C ATOM 1043 CD1 LEU B 33 13.613 42.114 12.431 1.00 23.11 C ATOM 1044 CD2 LEU B 33 13.174 43.706 10.533 1.00 21.50 C ATOM 0 H LEU B 33 10.505 44.374 12.999 1.00 18.10 H new ATOM 0 HA LEU B 33 10.548 44.101 10.398 1.00 18.19 H new ATOM 0 HB2 LEU B 33 11.027 41.912 12.194 1.00 17.02 H new ATOM 0 HB3 LEU B 33 11.444 41.893 10.691 1.00 17.02 H new ATOM 0 HG LEU B 33 12.535 43.874 12.470 1.00 22.41 H new ATOM 0 HD11 LEU B 33 14.452 42.543 12.661 1.00 23.11 H new ATOM 0 HD12 LEU B 33 13.215 41.734 13.230 1.00 23.11 H new ATOM 0 HD13 LEU B 33 13.777 41.409 11.785 1.00 23.11 H new ATOM 0 HD21 LEU B 33 14.017 44.158 10.695 1.00 21.50 H new ATOM 0 HD22 LEU B 33 13.314 42.978 9.908 1.00 21.50 H new ATOM 0 HD23 LEU B 33 12.537 44.335 10.159 1.00 21.50 H new ATOM 1045 N CYS B 34 8.207 42.499 11.764 1.00 19.53 N ATOM 1046 CA CYS B 34 6.911 41.800 11.457 1.00 19.40 C ATOM 1047 C CYS B 34 5.920 42.730 10.704 1.00 19.12 C ATOM 1048 O CYS B 34 5.329 42.274 9.701 1.00 18.42 O ATOM 1049 CB CYS B 34 6.308 41.268 12.771 1.00 22.64 C ATOM 1050 SG CYS B 34 4.536 40.784 12.675 1.00 28.24 S ATOM 0 H CYS B 34 8.385 42.610 12.598 1.00 19.53 H new ATOM 0 HA CYS B 34 7.085 41.054 10.862 1.00 19.40 H new ATOM 0 HB2 CYS B 34 6.824 40.499 13.060 1.00 22.64 H new ATOM 0 HB3 CYS B 34 6.407 41.949 13.455 1.00 22.64 H new ATOM 1051 N ARG B 35 5.776 44.001 11.115 1.00 19.54 N ATOM 1052 CA ARG B 35 4.945 44.951 10.381 1.00 20.16 C ATOM 1053 C ARG B 35 5.388 45.072 8.941 1.00 17.76 C ATOM 1054 O ARG B 35 4.574 45.200 8.122 1.00 20.18 O ATOM 1055 CB ARG B 35 4.865 46.383 10.978 1.00 19.09 C ATOM 1056 CG ARG B 35 4.090 46.439 12.309 1.00 27.08 C ATOM 1057 CD ARG B 35 4.074 47.906 12.882 1.00 34.44 C ATOM 1058 NE ARG B 35 3.495 47.848 14.230 1.00 37.99 N ATOM 1059 CZ ARG B 35 4.172 47.992 15.363 1.00 38.15 C ATOM 1060 NH1 ARG B 35 5.469 48.264 15.353 1.00 36.45 N ATOM 1061 NH2 ARG B 35 3.521 47.889 16.517 1.00 41.33 N ATOM 0 H ARG B 35 6.154 44.326 11.816 1.00 19.54 H new ATOM 0 HA ARG B 35 4.057 44.567 10.453 1.00 20.16 H new ATOM 0 HB2 ARG B 35 5.764 46.720 11.119 1.00 19.09 H new ATOM 0 HB3 ARG B 35 4.438 46.972 10.336 1.00 19.09 H new ATOM 0 HG2 ARG B 35 3.181 46.130 12.172 1.00 27.08 H new ATOM 0 HG3 ARG B 35 4.499 45.840 12.953 1.00 27.08 H new ATOM 0 HD2 ARG B 35 4.973 48.270 12.912 1.00 34.44 H new ATOM 0 HD3 ARG B 35 3.550 48.490 12.311 1.00 34.44 H new ATOM 0 HE ARG B 35 2.648 47.709 14.291 1.00 37.99 H new ATOM 0 HH11 ARG B 35 5.885 48.350 14.605 1.00 36.45 H new ATOM 0 HH12 ARG B 35 5.895 48.355 16.095 1.00 36.45 H new ATOM 0 HH21 ARG B 35 2.676 47.732 16.521 1.00 41.33 H new ATOM 0 HH22 ARG B 35 3.945 47.980 17.260 1.00 41.33 H new ATOM 1062 N LEU B 36 6.672 45.042 8.651 1.00 18.40 N ATOM 1063 CA LEU B 36 7.125 45.229 7.299 1.00 18.19 C ATOM 1064 C LEU B 36 6.821 44.050 6.377 1.00 18.05 C ATOM 1065 O LEU B 36 6.645 44.270 5.188 1.00 17.17 O ATOM 1066 CB LEU B 36 8.626 45.430 7.297 1.00 18.50 C ATOM 1067 CG LEU B 36 9.190 46.774 7.842 1.00 19.19 C ATOM 1068 CD1 LEU B 36 10.696 46.638 8.085 1.00 21.61 C ATOM 1069 CD2 LEU B 36 8.875 47.895 6.842 1.00 20.44 C ATOM 0 H LEU B 36 7.298 44.914 9.227 1.00 18.40 H new ATOM 0 HA LEU B 36 6.646 46.002 6.962 1.00 18.19 H new ATOM 0 HB2 LEU B 36 9.022 44.711 7.815 1.00 18.50 H new ATOM 0 HB3 LEU B 36 8.937 45.327 6.384 1.00 18.50 H new ATOM 0 HG LEU B 36 8.773 46.997 8.689 1.00 19.19 H new ATOM 0 HD11 LEU B 36 11.046 47.476 8.425 1.00 21.61 H new ATOM 0 HD12 LEU B 36 10.857 45.935 8.733 1.00 21.61 H new ATOM 0 HD13 LEU B 36 11.140 46.417 7.251 1.00 21.61 H new ATOM 0 HD21 LEU B 36 9.225 48.735 7.177 1.00 20.44 H new ATOM 0 HD22 LEU B 36 9.287 47.692 5.988 1.00 20.44 H new ATOM 0 HD23 LEU B 36 7.914 47.967 6.729 1.00 20.44 H new ATOM 1070 N TRP B 37 6.759 42.824 6.905 1.00 17.33 N ATOM 1071 CA TRP B 37 6.235 41.648 6.207 1.00 17.70 C ATOM 1072 C TRP B 37 4.680 41.587 6.094 1.00 19.19 C ATOM 1073 O TRP B 37 4.113 41.496 5.002 1.00 18.85 O ATOM 1074 CB TRP B 37 6.751 40.366 6.894 1.00 18.28 C ATOM 1075 CG TRP B 37 6.158 39.091 6.355 1.00 17.92 C ATOM 1076 CD1 TRP B 37 5.870 38.789 5.038 1.00 15.58 C ATOM 1077 CD2 TRP B 37 5.858 37.915 7.117 1.00 17.30 C ATOM 1078 NE1 TRP B 37 5.363 37.506 4.971 1.00 22.51 N ATOM 1079 CE2 TRP B 37 5.389 36.938 6.219 1.00 21.34 C ATOM 1080 CE3 TRP B 37 5.958 37.600 8.479 1.00 18.39 C ATOM 1081 CZ2 TRP B 37 4.915 35.701 6.647 1.00 21.99 C ATOM 1082 CZ3 TRP B 37 5.495 36.331 8.940 1.00 19.66 C ATOM 1083 CH2 TRP B 37 5.036 35.378 8.000 1.00 24.54 C ATOM 0 H TRP B 37 7.029 42.650 7.703 1.00 17.33 H new ATOM 0 HA TRP B 37 6.561 41.720 5.296 1.00 17.70 H new ATOM 0 HB2 TRP B 37 7.716 40.327 6.799 1.00 18.28 H new ATOM 0 HB3 TRP B 37 6.561 40.422 7.844 1.00 18.28 H new ATOM 0 HD1 TRP B 37 5.997 39.358 4.313 1.00 15.58 H new ATOM 0 HE1 TRP B 37 5.075 37.123 4.257 1.00 22.51 H new ATOM 0 HE3 TRP B 37 6.323 38.212 9.077 1.00 18.39 H new ATOM 0 HZ2 TRP B 37 4.528 35.105 6.047 1.00 21.99 H new ATOM 0 HZ3 TRP B 37 5.495 36.133 9.849 1.00 19.66 H new ATOM 0 HH2 TRP B 37 4.811 34.523 8.288 1.00 24.54 H new ATOM 1084 N LEU B 38 4.019 41.705 7.210 1.00 17.59 N ATOM 1085 CA LEU B 38 2.572 41.411 7.225 1.00 19.19 C ATOM 1086 C LEU B 38 1.717 42.636 6.856 1.00 18.47 C ATOM 1087 O LEU B 38 0.575 42.480 6.476 1.00 20.36 O ATOM 1088 CB LEU B 38 2.212 40.856 8.575 1.00 18.01 C ATOM 1089 CG LEU B 38 2.810 39.482 8.881 1.00 22.52 C ATOM 1090 CD1 LEU B 38 2.389 39.008 10.295 1.00 18.33 C ATOM 1091 CD2 LEU B 38 2.365 38.452 7.800 1.00 20.69 C ATOM 0 H LEU B 38 4.357 41.946 7.963 1.00 17.59 H new ATOM 0 HA LEU B 38 2.377 40.751 6.542 1.00 19.19 H new ATOM 0 HB2 LEU B 38 2.504 41.481 9.257 1.00 18.01 H new ATOM 0 HB3 LEU B 38 1.246 40.796 8.640 1.00 18.01 H new ATOM 0 HG LEU B 38 3.777 39.552 8.862 1.00 22.52 H new ATOM 0 HD11 LEU B 38 2.776 38.137 10.473 1.00 18.33 H new ATOM 0 HD12 LEU B 38 2.705 39.643 10.957 1.00 18.33 H new ATOM 0 HD13 LEU B 38 1.422 38.947 10.342 1.00 18.33 H new ATOM 0 HD21 LEU B 38 2.749 37.584 8.002 1.00 20.69 H new ATOM 0 HD22 LEU B 38 1.397 38.384 7.796 1.00 20.69 H new ATOM 0 HD23 LEU B 38 2.672 38.745 6.928 1.00 20.69 H new ATOM 1092 N ARG B 39 2.298 43.834 6.921 1.00 19.87 N ATOM 1093 CA ARG B 39 1.660 45.071 6.397 1.00 18.85 C ATOM 1094 C ARG B 39 0.232 45.278 6.840 1.00 19.20 C ATOM 1095 O ARG B 39 -0.653 45.372 5.985 1.00 19.13 O ATOM 1096 CB ARG B 39 1.731 45.130 4.861 1.00 19.39 C ATOM 1097 CG ARG B 39 3.179 45.485 4.365 1.00 26.00 C ATOM 1098 CD ARG B 39 3.529 44.904 3.031 1.00 37.99 C ATOM 1099 NE ARG B 39 2.777 45.412 1.902 1.00 49.01 N ATOM 1100 CZ ARG B 39 2.447 44.694 0.813 1.00 53.88 C ATOM 1101 NH1 ARG B 39 2.787 43.401 0.695 1.00 53.70 N ATOM 1102 NH2 ARG B 39 1.739 45.273 -0.168 1.00 55.78 N ATOM 0 H ARG B 39 3.074 43.964 7.268 1.00 19.87 H new ATOM 0 HA ARG B 39 2.178 45.793 6.785 1.00 18.85 H new ATOM 0 HB2 ARG B 39 1.461 44.275 4.490 1.00 19.39 H new ATOM 0 HB3 ARG B 39 1.103 45.793 4.532 1.00 19.39 H new ATOM 0 HG2 ARG B 39 3.267 46.450 4.320 1.00 26.00 H new ATOM 0 HG3 ARG B 39 3.821 45.172 5.021 1.00 26.00 H new ATOM 0 HD2 ARG B 39 4.472 45.061 2.866 1.00 37.99 H new ATOM 0 HD3 ARG B 39 3.405 43.943 3.074 1.00 37.99 H new ATOM 0 HE ARG B 39 2.523 46.233 1.930 1.00 49.01 H new ATOM 0 HH11 ARG B 39 3.226 43.013 1.324 1.00 53.70 H new ATOM 0 HH12 ARG B 39 2.566 42.961 -0.010 1.00 53.70 H new ATOM 0 HH21 ARG B 39 1.500 46.096 -0.098 1.00 55.78 H new ATOM 0 HH22 ARG B 39 1.524 44.821 -0.867 1.00 55.78 H new ATOM 1103 N PRO B 40 0.040 45.448 8.148 1.00 20.28 N ATOM 1104 CA PRO B 40 -1.318 45.601 8.670 1.00 23.28 C ATOM 1105 C PRO B 40 -1.992 46.915 8.193 1.00 24.14 C ATOM 1106 O PRO B 40 -3.219 47.026 8.279 1.00 25.93 O ATOM 1107 CB PRO B 40 -1.129 45.658 10.170 1.00 22.08 C ATOM 1108 CG PRO B 40 0.401 46.005 10.412 1.00 23.46 C ATOM 1109 CD PRO B 40 1.091 45.366 9.222 1.00 18.85 C ATOM 0 HA PRO B 40 -1.891 44.879 8.367 1.00 23.28 H new ATOM 0 HB2 PRO B 40 -1.704 46.332 10.566 1.00 22.08 H new ATOM 0 HB3 PRO B 40 -1.361 44.810 10.581 1.00 22.08 H new ATOM 0 HG2 PRO B 40 0.551 46.963 10.442 1.00 23.46 H new ATOM 0 HG3 PRO B 40 0.723 45.641 11.251 1.00 23.46 H new ATOM 0 HD2 PRO B 40 1.898 45.844 8.974 1.00 18.85 H new ATOM 0 HD3 PRO B 40 1.349 44.449 9.405 1.00 18.85 H new ATOM 1110 N GLU B 41 -1.198 47.903 7.779 1.00 26.23 N ATOM 1111 CA GLU B 41 -1.769 49.145 7.223 1.00 28.86 C ATOM 1112 C GLU B 41 -2.435 48.879 5.877 1.00 28.66 C ATOM 1113 O GLU B 41 -3.353 49.598 5.475 1.00 28.97 O ATOM 1114 CB GLU B 41 -0.702 50.272 7.144 1.00 28.95 C ATOM 1115 CG GLU B 41 0.420 50.073 6.055 1.00 33.42 C ATOM 1116 CD GLU B 41 1.511 48.939 6.329 1.00 37.38 C ATOM 1117 OE1 GLU B 41 1.517 48.240 7.384 1.00 29.42 O ATOM 1118 OE2 GLU B 41 2.393 48.792 5.443 1.00 39.89 O ATOM 0 H GLU B 41 -0.339 47.881 7.808 1.00 26.23 H new ATOM 0 HA GLU B 41 -2.460 49.460 7.827 1.00 28.86 H new ATOM 0 HB2 GLU B 41 -1.155 51.112 6.969 1.00 28.95 H new ATOM 0 HB3 GLU B 41 -0.277 50.354 8.012 1.00 28.95 H new ATOM 0 HG2 GLU B 41 -0.013 49.875 5.210 1.00 33.42 H new ATOM 0 HG3 GLU B 41 0.885 50.917 5.945 1.00 33.42 H new ATOM 1119 N THR B 42 -2.074 47.805 5.195 1.00 27.76 N ATOM 1120 CA THR B 42 -2.709 47.495 3.917 1.00 30.02 C ATOM 1121 C THR B 42 -3.520 46.179 3.859 1.00 30.12 C ATOM 1122 O THR B 42 -4.464 46.037 3.040 1.00 31.93 O ATOM 1123 CB THR B 42 -1.652 47.523 2.756 1.00 31.38 C ATOM 1124 OG1 THR B 42 -0.819 46.377 2.828 1.00 34.16 O ATOM 1125 CG2 THR B 42 -0.749 48.659 2.852 1.00 34.00 C ATOM 0 H THR B 42 -1.471 47.246 5.447 1.00 27.76 H new ATOM 0 HA THR B 42 -3.369 48.197 3.806 1.00 30.02 H new ATOM 0 HB THR B 42 -2.166 47.566 1.934 1.00 31.38 H new ATOM 0 HG1 THR B 42 -0.258 46.399 2.203 1.00 34.16 H new ATOM 0 HG21 THR B 42 -0.117 48.633 2.117 1.00 34.00 H new ATOM 0 HG22 THR B 42 -1.259 49.483 2.811 1.00 34.00 H new ATOM 0 HG23 THR B 42 -0.267 48.620 3.693 1.00 34.00 H new ATOM 1126 N HIS B 43 -3.211 45.221 4.741 1.00 26.71 N ATOM 1127 CA HIS B 43 -3.862 43.913 4.638 1.00 24.85 C ATOM 1128 C HIS B 43 -4.955 43.777 5.658 1.00 24.03 C ATOM 1129 O HIS B 43 -4.779 44.206 6.782 1.00 23.73 O ATOM 1130 CB HIS B 43 -2.818 42.831 4.923 1.00 24.10 C ATOM 1131 CG HIS B 43 -1.905 42.606 3.776 1.00 27.11 C ATOM 1132 ND1 HIS B 43 -0.579 42.287 3.929 1.00 32.14 N ATOM 1133 CD2 HIS B 43 -2.114 42.734 2.450 1.00 34.02 C ATOM 1134 CE1 HIS B 43 -0.030 42.146 2.731 1.00 36.67 C ATOM 1135 NE2 HIS B 43 -0.939 42.417 1.815 1.00 30.37 N ATOM 0 H HIS B 43 -2.647 45.304 5.385 1.00 26.71 H new ATOM 0 HA HIS B 43 -4.240 43.822 3.749 1.00 24.85 H new ATOM 0 HB2 HIS B 43 -2.298 43.085 5.701 1.00 24.10 H new ATOM 0 HB3 HIS B 43 -3.269 42.000 5.141 1.00 24.10 H new ATOM 0 HD1 HIS B 43 -0.171 42.194 4.680 1.00 32.14 H new ATOM 0 HD2 HIS B 43 -2.909 42.990 2.041 1.00 34.02 H new ATOM 0 HE1 HIS B 43 0.850 41.897 2.564 1.00 36.67 H new ATOM 1136 N THR B 44 -6.017 43.062 5.315 1.00 24.17 N ATOM 1137 CA THR B 44 -7.018 42.712 6.328 1.00 24.29 C ATOM 1138 C THR B 44 -6.531 41.606 7.285 1.00 25.09 C ATOM 1139 O THR B 44 -5.539 40.938 7.000 1.00 23.94 O ATOM 1140 CB THR B 44 -8.285 42.166 5.653 1.00 24.24 C ATOM 1141 OG1 THR B 44 -7.963 40.935 4.976 1.00 24.98 O ATOM 1142 CG2 THR B 44 -8.751 43.139 4.614 1.00 23.53 C ATOM 0 H THR B 44 -6.180 42.773 4.522 1.00 24.17 H new ATOM 0 HA THR B 44 -7.188 43.527 6.826 1.00 24.29 H new ATOM 0 HB THR B 44 -8.970 42.026 6.325 1.00 24.24 H new ATOM 0 HG1 THR B 44 -8.653 40.630 4.606 1.00 24.98 H new ATOM 0 HG21 THR B 44 -9.551 42.797 4.186 1.00 23.53 H new ATOM 0 HG22 THR B 44 -8.948 43.991 5.034 1.00 23.53 H new ATOM 0 HG23 THR B 44 -8.056 43.260 3.949 1.00 23.53 H new ATOM 1143 N LYS B 45 -7.230 41.434 8.423 1.00 26.34 N ATOM 1144 CA LYS B 45 -7.038 40.207 9.238 1.00 27.74 C ATOM 1145 C LYS B 45 -6.941 38.921 8.425 1.00 27.40 C ATOM 1146 O LYS B 45 -6.043 38.099 8.606 1.00 27.02 O ATOM 1147 CB LYS B 45 -8.130 40.070 10.296 1.00 28.79 C ATOM 1148 CG LYS B 45 -7.679 40.490 11.684 1.00 35.72 C ATOM 1149 CD LYS B 45 -8.847 40.790 12.660 1.00 37.41 C ATOM 1150 CE LYS B 45 -9.776 39.592 12.882 1.00 41.52 C ATOM 1151 NZ LYS B 45 -10.691 39.858 14.101 1.00 39.84 N ATOM 0 H LYS B 45 -7.803 41.994 8.735 1.00 26.34 H new ATOM 0 HA LYS B 45 -6.176 40.325 9.667 1.00 27.74 H new ATOM 0 HB2 LYS B 45 -8.894 40.608 10.035 1.00 28.79 H new ATOM 0 HB3 LYS B 45 -8.429 39.148 10.325 1.00 28.79 H new ATOM 0 HG2 LYS B 45 -7.126 39.788 12.061 1.00 35.72 H new ATOM 0 HG3 LYS B 45 -7.121 41.280 11.608 1.00 35.72 H new ATOM 0 HD2 LYS B 45 -8.482 41.071 13.514 1.00 37.41 H new ATOM 0 HD3 LYS B 45 -9.366 41.533 12.315 1.00 37.41 H new ATOM 0 HE2 LYS B 45 -10.315 39.438 12.090 1.00 41.52 H new ATOM 0 HE3 LYS B 45 -9.252 38.789 13.029 1.00 41.52 H new ATOM 0 HZ1 LYS B 45 -11.135 39.115 14.307 1.00 39.84 H new ATOM 0 HZ2 LYS B 45 -10.195 40.109 14.796 1.00 39.84 H new ATOM 0 HZ3 LYS B 45 -11.270 40.504 13.902 1.00 39.84 H new ATOM 1152 N GLU B 46 -7.872 38.717 7.516 1.00 28.08 N ATOM 1153 CA GLU B 46 -7.836 37.510 6.689 1.00 28.65 C ATOM 1154 C GLU B 46 -6.597 37.377 5.793 1.00 27.41 C ATOM 1155 O GLU B 46 -6.047 36.271 5.598 1.00 24.99 O ATOM 1156 CB GLU B 46 -9.132 37.403 5.850 1.00 30.40 C ATOM 1157 CG GLU B 46 -10.405 37.168 6.736 1.00 33.21 C ATOM 1158 CD GLU B 46 -10.352 35.858 7.600 1.00 41.64 C ATOM 1159 OE1 GLU B 46 -10.042 34.790 7.051 1.00 40.17 O ATOM 1160 OE2 GLU B 46 -10.599 35.890 8.846 1.00 43.87 O ATOM 0 H GLU B 46 -8.527 39.250 7.357 1.00 28.08 H new ATOM 0 HA GLU B 46 -7.775 36.768 7.311 1.00 28.65 H new ATOM 0 HB2 GLU B 46 -9.247 38.216 5.333 1.00 30.40 H new ATOM 0 HB3 GLU B 46 -9.044 36.674 5.216 1.00 30.40 H new ATOM 0 HG2 GLU B 46 -10.521 37.929 7.326 1.00 33.21 H new ATOM 0 HG3 GLU B 46 -11.185 37.133 6.161 1.00 33.21 H new ATOM 1161 N GLN B 47 -6.181 38.480 5.202 1.00 25.48 N ATOM 1162 CA GLN B 47 -4.982 38.447 4.336 1.00 24.78 C ATOM 1163 C GLN B 47 -3.734 38.150 5.153 1.00 22.81 C ATOM 1164 O GLN B 47 -2.825 37.417 4.692 1.00 22.92 O ATOM 1165 CB GLN B 47 -4.800 39.751 3.590 1.00 24.94 C ATOM 1166 CG GLN B 47 -5.941 39.960 2.579 1.00 31.66 C ATOM 1167 CD GLN B 47 -5.911 41.347 1.895 1.00 31.59 C ATOM 1168 OE1 GLN B 47 -5.841 42.361 2.551 1.00 30.11 O ATOM 1169 NE2 GLN B 47 -5.946 41.352 0.566 1.00 37.09 N ATOM 0 H GLN B 47 -6.558 39.249 5.277 1.00 25.48 H new ATOM 0 HA GLN B 47 -5.116 37.738 3.688 1.00 24.78 H new ATOM 0 HB2 GLN B 47 -4.779 40.489 4.219 1.00 24.94 H new ATOM 0 HB3 GLN B 47 -3.947 39.748 3.127 1.00 24.94 H new ATOM 0 HG2 GLN B 47 -5.891 39.270 1.899 1.00 31.66 H new ATOM 0 HG3 GLN B 47 -6.791 39.849 3.033 1.00 31.66 H new ATOM 0 HE21 GLN B 47 -5.996 40.610 0.134 1.00 37.09 H new ATOM 0 HE22 GLN B 47 -5.919 42.097 0.138 1.00 37.09 H new ATOM 1170 N ILE B 48 -3.698 38.695 6.358 1.00 21.51 N ATOM 1171 CA ILE B 48 -2.544 38.426 7.278 1.00 23.10 C ATOM 1172 C ILE B 48 -2.496 36.927 7.636 1.00 22.26 C ATOM 1173 O ILE B 48 -1.411 36.257 7.647 1.00 20.50 O ATOM 1174 CB ILE B 48 -2.649 39.316 8.531 1.00 22.84 C ATOM 1175 CG1 ILE B 48 -2.345 40.772 8.109 1.00 23.84 C ATOM 1176 CG2 ILE B 48 -1.789 38.733 9.719 1.00 25.16 C ATOM 1177 CD1 ILE B 48 -2.584 41.890 9.230 1.00 26.46 C ATOM 0 H ILE B 48 -4.305 39.214 6.678 1.00 21.51 H new ATOM 0 HA ILE B 48 -1.712 38.648 6.832 1.00 23.10 H new ATOM 0 HB ILE B 48 -3.546 39.322 8.900 1.00 22.84 H new ATOM 0 HG12 ILE B 48 -1.420 40.820 7.821 1.00 23.84 H new ATOM 0 HG13 ILE B 48 -2.894 40.988 7.339 1.00 23.84 H new ATOM 0 HG21 ILE B 48 -1.873 39.311 10.493 1.00 25.16 H new ATOM 0 HG22 ILE B 48 -2.107 37.845 9.943 1.00 25.16 H new ATOM 0 HG23 ILE B 48 -0.858 38.685 9.451 1.00 25.16 H new ATOM 0 HD11 ILE B 48 -2.366 42.763 8.868 1.00 26.46 H new ATOM 0 HD12 ILE B 48 -3.514 41.878 9.506 1.00 26.46 H new ATOM 0 HD13 ILE B 48 -2.017 41.707 9.996 1.00 26.46 H new ATOM 1178 N LEU B 49 -3.668 36.389 7.954 1.00 22.60 N ATOM 1179 CA LEU B 49 -3.731 34.991 8.396 1.00 23.71 C ATOM 1180 C LEU B 49 -3.320 34.106 7.252 1.00 22.01 C ATOM 1181 O LEU B 49 -2.556 33.151 7.426 1.00 21.75 O ATOM 1182 CB LEU B 49 -5.149 34.609 8.906 1.00 22.91 C ATOM 1183 CG LEU B 49 -5.657 35.399 10.141 1.00 30.31 C ATOM 1184 CD1 LEU B 49 -7.183 35.166 10.217 1.00 32.31 C ATOM 1185 CD2 LEU B 49 -4.998 34.924 11.385 1.00 28.99 C ATOM 0 H LEU B 49 -4.423 36.800 7.924 1.00 22.60 H new ATOM 0 HA LEU B 49 -3.124 34.871 9.143 1.00 23.71 H new ATOM 0 HB2 LEU B 49 -5.780 34.735 8.180 1.00 22.91 H new ATOM 0 HB3 LEU B 49 -5.152 33.664 9.124 1.00 22.91 H new ATOM 0 HG LEU B 49 -5.449 36.342 10.054 1.00 30.31 H new ATOM 0 HD11 LEU B 49 -7.546 35.644 10.979 1.00 32.31 H new ATOM 0 HD12 LEU B 49 -7.601 35.490 9.404 1.00 32.31 H new ATOM 0 HD13 LEU B 49 -7.361 34.218 10.316 1.00 32.31 H new ATOM 0 HD21 LEU B 49 -5.331 35.431 12.142 1.00 28.99 H new ATOM 0 HD22 LEU B 49 -5.194 33.983 11.516 1.00 28.99 H new ATOM 0 HD23 LEU B 49 -4.039 35.047 11.311 1.00 28.99 H new ATOM 1186 N GLU B 50 -3.779 34.442 6.049 1.00 23.43 N ATOM 1187 CA GLU B 50 -3.325 33.712 4.882 1.00 20.99 C ATOM 1188 C GLU B 50 -1.773 33.643 4.678 1.00 20.54 C ATOM 1189 O GLU B 50 -1.205 32.601 4.278 1.00 20.02 O ATOM 1190 CB GLU B 50 -4.097 34.204 3.690 1.00 24.95 C ATOM 1191 CG GLU B 50 -4.000 33.341 2.496 1.00 24.37 C ATOM 1192 CD GLU B 50 -4.719 31.981 2.516 1.00 24.29 C ATOM 1193 OE1 GLU B 50 -5.696 31.690 3.295 1.00 24.78 O ATOM 1194 OE2 GLU B 50 -4.268 31.187 1.648 1.00 25.08 O ATOM 0 H GLU B 50 -4.340 35.075 5.894 1.00 23.43 H new ATOM 0 HA GLU B 50 -3.520 32.772 5.023 1.00 20.99 H new ATOM 0 HB2 GLU B 50 -5.031 34.290 3.937 1.00 24.95 H new ATOM 0 HB3 GLU B 50 -3.782 35.092 3.459 1.00 24.95 H new ATOM 0 HG2 GLU B 50 -4.340 33.844 1.740 1.00 24.37 H new ATOM 0 HG3 GLU B 50 -3.059 33.175 2.327 1.00 24.37 H new ATOM 1195 N LEU B 51 -1.081 34.733 4.977 1.00 19.95 N ATOM 1196 CA LEU B 51 0.369 34.780 4.822 1.00 16.59 C ATOM 1197 C LEU B 51 1.002 33.947 5.867 1.00 17.89 C ATOM 1198 O LEU B 51 1.966 33.251 5.576 1.00 18.30 O ATOM 1199 CB LEU B 51 0.875 36.235 4.957 1.00 17.74 C ATOM 1200 CG LEU B 51 0.437 37.102 3.753 1.00 20.95 C ATOM 1201 CD1 LEU B 51 0.957 38.560 4.055 1.00 22.33 C ATOM 1202 CD2 LEU B 51 1.100 36.537 2.522 1.00 21.81 C ATOM 0 H LEU B 51 -1.432 35.460 5.273 1.00 19.95 H new ATOM 0 HA LEU B 51 0.602 34.443 3.943 1.00 16.59 H new ATOM 0 HB2 LEU B 51 0.533 36.623 5.778 1.00 17.74 H new ATOM 0 HB3 LEU B 51 1.843 36.237 5.024 1.00 17.74 H new ATOM 0 HG LEU B 51 -0.523 37.112 3.613 1.00 20.95 H new ATOM 0 HD11 LEU B 51 0.708 39.150 3.326 1.00 22.33 H new ATOM 0 HD12 LEU B 51 0.561 38.881 4.880 1.00 22.33 H new ATOM 0 HD13 LEU B 51 1.923 38.547 4.144 1.00 22.33 H new ATOM 0 HD21 LEU B 51 0.844 37.061 1.747 1.00 21.81 H new ATOM 0 HD22 LEU B 51 2.063 36.569 2.630 1.00 21.81 H new ATOM 0 HD23 LEU B 51 0.819 35.617 2.397 1.00 21.81 H new ATOM 1203 N VAL B 52 0.423 33.919 7.063 1.00 16.78 N ATOM 1204 CA VAL B 52 0.961 33.071 8.165 1.00 18.12 C ATOM 1205 C VAL B 52 0.815 31.549 7.821 1.00 17.48 C ATOM 1206 O VAL B 52 1.764 30.770 7.952 1.00 17.22 O ATOM 1207 CB VAL B 52 0.224 33.442 9.527 1.00 19.32 C ATOM 1208 CG1 VAL B 52 0.415 32.293 10.624 1.00 20.72 C ATOM 1209 CG2 VAL B 52 0.676 34.832 10.066 1.00 19.37 C ATOM 0 H VAL B 52 -0.277 34.374 7.271 1.00 16.78 H new ATOM 0 HA VAL B 52 1.909 33.246 8.272 1.00 18.12 H new ATOM 0 HB VAL B 52 -0.725 33.506 9.335 1.00 19.32 H new ATOM 0 HG11 VAL B 52 -0.043 32.546 11.441 1.00 20.72 H new ATOM 0 HG12 VAL B 52 0.044 31.461 10.290 1.00 20.72 H new ATOM 0 HG13 VAL B 52 1.360 32.174 10.808 1.00 20.72 H new ATOM 0 HG21 VAL B 52 0.209 35.026 10.894 1.00 19.37 H new ATOM 0 HG22 VAL B 52 1.632 34.821 10.230 1.00 19.37 H new ATOM 0 HG23 VAL B 52 0.469 35.516 9.411 1.00 19.37 H new ATOM 1210 N VAL B 53 -0.360 31.168 7.309 1.00 16.94 N ATOM 1211 CA VAL B 53 -0.579 29.810 6.748 1.00 17.21 C ATOM 1212 C VAL B 53 0.350 29.463 5.604 1.00 15.54 C ATOM 1213 O VAL B 53 0.969 28.351 5.597 1.00 15.30 O ATOM 1214 CB VAL B 53 -2.047 29.626 6.304 1.00 16.15 C ATOM 1215 CG1 VAL B 53 -2.322 28.263 5.533 1.00 16.90 C ATOM 1216 CG2 VAL B 53 -2.924 29.703 7.572 1.00 18.66 C ATOM 0 H VAL B 53 -1.051 31.678 7.273 1.00 16.94 H new ATOM 0 HA VAL B 53 -0.374 29.196 7.470 1.00 17.21 H new ATOM 0 HB VAL B 53 -2.260 30.327 5.668 1.00 16.15 H new ATOM 0 HG11 VAL B 53 -3.259 28.214 5.285 1.00 16.90 H new ATOM 0 HG12 VAL B 53 -1.774 28.227 4.733 1.00 16.90 H new ATOM 0 HG13 VAL B 53 -2.101 27.515 6.109 1.00 16.90 H new ATOM 0 HG21 VAL B 53 -3.856 29.591 7.328 1.00 18.66 H new ATOM 0 HG22 VAL B 53 -2.665 29.000 8.188 1.00 18.66 H new ATOM 0 HG23 VAL B 53 -2.803 30.566 7.997 1.00 18.66 H new ATOM 1217 N LEU B 54 0.497 30.372 4.651 1.00 16.99 N ATOM 1218 CA LEU B 54 1.365 30.102 3.505 1.00 16.50 C ATOM 1219 C LEU B 54 2.760 29.819 3.969 1.00 16.31 C ATOM 1220 O LEU B 54 3.397 28.869 3.458 1.00 16.26 O ATOM 1221 CB LEU B 54 1.460 31.355 2.577 1.00 17.39 C ATOM 1222 CG LEU B 54 2.390 31.156 1.406 1.00 16.65 C ATOM 1223 CD1 LEU B 54 2.054 29.894 0.484 1.00 18.97 C ATOM 1224 CD2 LEU B 54 2.271 32.457 0.558 1.00 20.91 C ATOM 0 H LEU B 54 0.112 31.141 4.644 1.00 16.99 H new ATOM 0 HA LEU B 54 0.986 29.345 3.031 1.00 16.50 H new ATOM 0 HB2 LEU B 54 0.575 31.573 2.246 1.00 17.39 H new ATOM 0 HB3 LEU B 54 1.763 32.115 3.098 1.00 17.39 H new ATOM 0 HG LEU B 54 3.281 30.981 1.746 1.00 16.65 H new ATOM 0 HD11 LEU B 54 2.697 29.842 -0.240 1.00 18.97 H new ATOM 0 HD12 LEU B 54 2.099 29.084 1.015 1.00 18.97 H new ATOM 0 HD13 LEU B 54 1.161 29.990 0.117 1.00 18.97 H new ATOM 0 HD21 LEU B 54 2.850 32.392 -0.217 1.00 20.91 H new ATOM 0 HD22 LEU B 54 1.353 32.571 0.267 1.00 20.91 H new ATOM 0 HD23 LEU B 54 2.536 33.219 1.096 1.00 20.91 H new ATOM 1225 N GLU B 55 3.278 30.635 4.892 1.00 15.88 N ATOM 1226 CA GLU B 55 4.644 30.405 5.376 1.00 17.95 C ATOM 1227 C GLU B 55 4.884 28.999 5.946 1.00 16.24 C ATOM 1228 O GLU B 55 5.931 28.320 5.676 1.00 14.26 O ATOM 1229 CB GLU B 55 5.024 31.529 6.389 1.00 16.07 C ATOM 1230 CG GLU B 55 6.442 31.232 7.107 1.00 21.10 C ATOM 1231 CD GLU B 55 6.721 32.191 8.196 1.00 21.83 C ATOM 1232 OE1 GLU B 55 5.822 32.460 9.033 1.00 20.40 O ATOM 1233 OE2 GLU B 55 7.879 32.670 8.235 1.00 20.29 O ATOM 0 H GLU B 55 2.871 31.307 5.242 1.00 15.88 H new ATOM 0 HA GLU B 55 5.235 30.447 4.608 1.00 17.95 H new ATOM 0 HB2 GLU B 55 5.067 32.381 5.927 1.00 16.07 H new ATOM 0 HB3 GLU B 55 4.330 31.607 7.062 1.00 16.07 H new ATOM 0 HG2 GLU B 55 6.441 30.330 7.464 1.00 21.10 H new ATOM 0 HG3 GLU B 55 7.153 31.276 6.448 1.00 21.10 H new ATOM 1234 N GLN B 56 3.955 28.556 6.800 1.00 14.78 N ATOM 1235 CA GLN B 56 4.041 27.210 7.341 1.00 17.64 C ATOM 1236 C GLN B 56 3.872 26.127 6.256 1.00 17.28 C ATOM 1237 O GLN B 56 4.570 25.110 6.306 1.00 17.73 O ATOM 1238 CB GLN B 56 2.944 26.997 8.431 1.00 16.39 C ATOM 1239 CG GLN B 56 3.065 25.621 9.193 1.00 19.88 C ATOM 1240 CD GLN B 56 4.417 25.461 9.887 1.00 20.32 C ATOM 1241 OE1 GLN B 56 5.177 26.456 10.175 1.00 19.94 O ATOM 1242 NE2 GLN B 56 4.765 24.215 10.126 1.00 21.63 N ATOM 0 H GLN B 56 3.280 29.015 7.071 1.00 14.78 H new ATOM 0 HA GLN B 56 4.927 27.121 7.725 1.00 17.64 H new ATOM 0 HB2 GLN B 56 2.995 27.720 9.076 1.00 16.39 H new ATOM 0 HB3 GLN B 56 2.070 27.051 8.014 1.00 16.39 H new ATOM 0 HG2 GLN B 56 2.356 25.554 9.851 1.00 19.88 H new ATOM 0 HG3 GLN B 56 2.938 24.893 8.565 1.00 19.88 H new ATOM 0 HE21 GLN B 56 4.232 23.573 9.920 1.00 21.63 H new ATOM 0 HE22 GLN B 56 5.526 24.043 10.488 1.00 21.63 H new ATOM 1243 N PHE B 57 2.951 26.339 5.327 1.00 16.14 N ATOM 1244 CA PHE B 57 2.798 25.371 4.224 1.00 18.19 C ATOM 1245 C PHE B 57 4.113 25.205 3.495 1.00 17.52 C ATOM 1246 O PHE B 57 4.611 24.057 3.297 1.00 17.31 O ATOM 1247 CB PHE B 57 1.696 25.816 3.290 1.00 17.24 C ATOM 1248 CG PHE B 57 1.453 24.823 2.148 1.00 23.16 C ATOM 1249 CD1 PHE B 57 1.256 23.440 2.434 1.00 21.30 C ATOM 1250 CD2 PHE B 57 1.563 25.222 0.813 1.00 22.26 C ATOM 1251 CE1 PHE B 57 1.057 22.473 1.386 1.00 21.12 C ATOM 1252 CE2 PHE B 57 1.338 24.254 -0.236 1.00 19.43 C ATOM 1253 CZ PHE B 57 1.081 22.904 0.084 1.00 19.09 C ATOM 0 H PHE B 57 2.415 27.011 5.306 1.00 16.14 H new ATOM 0 HA PHE B 57 2.547 24.507 4.586 1.00 18.19 H new ATOM 0 HB2 PHE B 57 0.876 25.930 3.795 1.00 17.24 H new ATOM 0 HB3 PHE B 57 1.923 26.683 2.918 1.00 17.24 H new ATOM 0 HD1 PHE B 57 1.256 23.156 3.319 1.00 21.30 H new ATOM 0 HD2 PHE B 57 1.779 26.102 0.602 1.00 22.26 H new ATOM 0 HE1 PHE B 57 0.915 21.576 1.587 1.00 21.12 H new ATOM 0 HE2 PHE B 57 1.363 24.522 -1.126 1.00 19.43 H new ATOM 0 HZ PHE B 57 0.925 22.295 -0.601 1.00 19.09 H new ATOM 1254 N VAL B 58 4.754 26.326 3.118 1.00 17.23 N ATOM 1255 CA VAL B 58 6.049 26.212 2.441 1.00 19.13 C ATOM 1256 C VAL B 58 7.057 25.481 3.331 1.00 19.53 C ATOM 1257 O VAL B 58 7.780 24.623 2.826 1.00 17.81 O ATOM 1258 CB VAL B 58 6.568 27.598 1.955 1.00 18.80 C ATOM 1259 CG1 VAL B 58 8.044 27.539 1.329 1.00 23.13 C ATOM 1260 CG2 VAL B 58 5.548 28.124 0.885 1.00 19.68 C ATOM 0 H VAL B 58 4.467 27.127 3.240 1.00 17.23 H new ATOM 0 HA VAL B 58 5.931 25.676 1.641 1.00 19.13 H new ATOM 0 HB VAL B 58 6.632 28.192 2.719 1.00 18.80 H new ATOM 0 HG11 VAL B 58 8.311 28.427 1.046 1.00 23.13 H new ATOM 0 HG12 VAL B 58 8.666 27.212 1.997 1.00 23.13 H new ATOM 0 HG13 VAL B 58 8.048 26.942 0.565 1.00 23.13 H new ATOM 0 HG21 VAL B 58 5.839 28.989 0.558 1.00 19.68 H new ATOM 0 HG22 VAL B 58 5.503 27.498 0.146 1.00 19.68 H new ATOM 0 HG23 VAL B 58 4.670 28.210 1.289 1.00 19.68 H new ATOM 1261 N ALA B 59 7.081 25.813 4.624 1.00 20.02 N ATOM 1262 CA ALA B 59 7.990 25.160 5.511 1.00 21.75 C ATOM 1263 C ALA B 59 7.849 23.635 5.528 1.00 22.40 C ATOM 1264 O ALA B 59 8.840 22.947 5.756 1.00 24.26 O ATOM 1265 CB ALA B 59 7.829 25.757 6.973 1.00 23.05 C ATOM 0 H ALA B 59 6.579 26.409 4.988 1.00 20.02 H new ATOM 0 HA ALA B 59 8.883 25.335 5.176 1.00 21.75 H new ATOM 0 HB1 ALA B 59 8.447 25.312 7.574 1.00 23.05 H new ATOM 0 HB2 ALA B 59 8.021 26.708 6.958 1.00 23.05 H new ATOM 0 HB3 ALA B 59 6.920 25.616 7.282 1.00 23.05 H new ATOM 1266 N ILE B 60 6.665 23.084 5.283 1.00 21.19 N ATOM 1267 CA ILE B 60 6.478 21.636 5.460 1.00 22.45 C ATOM 1268 C ILE B 60 6.506 20.851 4.141 1.00 22.30 C ATOM 1269 O ILE B 60 6.417 19.630 4.146 1.00 21.19 O ATOM 1270 CB ILE B 60 5.226 21.287 6.236 1.00 20.56 C ATOM 1271 CG1 ILE B 60 3.965 21.658 5.456 1.00 23.30 C ATOM 1272 CG2 ILE B 60 5.308 21.931 7.670 1.00 24.12 C ATOM 1273 CD1 ILE B 60 2.634 21.046 6.021 1.00 30.07 C ATOM 0 H ILE B 60 5.968 23.514 5.019 1.00 21.19 H new ATOM 0 HA ILE B 60 7.246 21.363 5.986 1.00 22.45 H new ATOM 0 HB ILE B 60 5.167 20.326 6.358 1.00 20.56 H new ATOM 0 HG12 ILE B 60 3.881 22.624 5.443 1.00 23.30 H new ATOM 0 HG13 ILE B 60 4.073 21.370 4.536 1.00 23.30 H new ATOM 0 HG21 ILE B 60 4.507 21.710 8.171 1.00 24.12 H new ATOM 0 HG22 ILE B 60 6.086 21.586 8.136 1.00 24.12 H new ATOM 0 HG23 ILE B 60 5.382 22.895 7.588 1.00 24.12 H new ATOM 0 HD11 ILE B 60 1.888 21.330 5.470 1.00 30.07 H new ATOM 0 HD12 ILE B 60 2.693 20.078 6.011 1.00 30.07 H new ATOM 0 HD13 ILE B 60 2.498 21.352 6.932 1.00 30.07 H new ATOM 1274 N LEU B 61 6.619 21.554 3.026 1.00 21.86 N ATOM 1275 CA LEU B 61 6.649 20.865 1.719 1.00 22.65 C ATOM 1276 C LEU B 61 7.938 20.033 1.602 1.00 22.69 C ATOM 1277 O LEU B 61 9.024 20.496 1.993 1.00 21.79 O ATOM 1278 CB LEU B 61 6.631 21.924 0.563 1.00 22.27 C ATOM 1279 CG LEU B 61 5.229 22.427 0.270 1.00 20.85 C ATOM 1280 CD1 LEU B 61 5.340 23.614 -0.644 1.00 22.39 C ATOM 1281 CD2 LEU B 61 4.424 21.303 -0.341 1.00 18.65 C ATOM 0 H LEU B 61 6.679 22.411 2.990 1.00 21.86 H new ATOM 0 HA LEU B 61 5.873 20.287 1.651 1.00 22.65 H new ATOM 0 HB2 LEU B 61 7.198 22.673 0.804 1.00 22.27 H new ATOM 0 HB3 LEU B 61 7.006 21.530 -0.240 1.00 22.27 H new ATOM 0 HG LEU B 61 4.771 22.708 1.078 1.00 20.85 H new ATOM 0 HD11 LEU B 61 4.453 23.952 -0.845 1.00 22.39 H new ATOM 0 HD12 LEU B 61 5.860 24.309 -0.211 1.00 22.39 H new ATOM 0 HD13 LEU B 61 5.778 23.349 -1.468 1.00 22.39 H new ATOM 0 HD21 LEU B 61 3.526 21.615 -0.532 1.00 18.65 H new ATOM 0 HD22 LEU B 61 4.847 21.012 -1.164 1.00 18.65 H new ATOM 0 HD23 LEU B 61 4.382 20.560 0.281 1.00 18.65 H new ATOM 1282 N PRO B 62 7.841 18.828 1.047 1.00 25.00 N ATOM 1283 CA PRO B 62 9.079 18.121 0.735 1.00 26.43 C ATOM 1284 C PRO B 62 9.980 18.989 -0.158 1.00 27.72 C ATOM 1285 O PRO B 62 9.493 19.792 -0.966 1.00 25.56 O ATOM 1286 CB PRO B 62 8.606 16.913 -0.045 1.00 27.08 C ATOM 1287 CG PRO B 62 7.140 16.677 0.393 1.00 27.01 C ATOM 1288 CD PRO B 62 6.616 18.056 0.715 1.00 24.07 C ATOM 0 HA PRO B 62 9.594 17.896 1.526 1.00 26.43 H new ATOM 0 HB2 PRO B 62 8.663 17.071 -1.000 1.00 27.08 H new ATOM 0 HB3 PRO B 62 9.156 16.137 0.147 1.00 27.08 H new ATOM 0 HG2 PRO B 62 6.623 16.259 -0.313 1.00 27.01 H new ATOM 0 HG3 PRO B 62 7.092 16.091 1.165 1.00 27.01 H new ATOM 0 HD2 PRO B 62 6.144 18.443 -0.039 1.00 24.07 H new ATOM 0 HD3 PRO B 62 5.994 18.036 1.459 1.00 24.07 H new ATOM 1289 N LYS B 63 11.283 18.804 -0.046 1.00 28.99 N ATOM 1290 CA LYS B 63 12.233 19.733 -0.630 1.00 30.00 C ATOM 1291 C LYS B 63 12.040 20.128 -2.080 1.00 29.31 C ATOM 1292 O LYS B 63 12.151 21.317 -2.427 1.00 28.89 O ATOM 1293 CB LYS B 63 13.661 19.207 -0.484 1.00 32.45 C ATOM 1294 CG LYS B 63 14.660 20.225 -1.123 1.00 36.53 C ATOM 1295 CD LYS B 63 14.805 21.503 -0.281 1.00 44.54 C ATOM 1296 CE LYS B 63 16.128 22.240 -0.668 1.00 48.54 C ATOM 1297 NZ LYS B 63 16.786 22.852 0.534 1.00 48.97 N ATOM 0 H LYS B 63 11.641 18.141 0.368 1.00 28.99 H new ATOM 0 HA LYS B 63 12.063 20.539 -0.118 1.00 30.00 H new ATOM 0 HB2 LYS B 63 13.873 19.076 0.453 1.00 32.45 H new ATOM 0 HB3 LYS B 63 13.743 18.343 -0.917 1.00 32.45 H new ATOM 0 HG2 LYS B 63 15.529 19.805 -1.222 1.00 36.53 H new ATOM 0 HG3 LYS B 63 14.355 20.459 -2.014 1.00 36.53 H new ATOM 0 HD2 LYS B 63 14.044 22.086 -0.429 1.00 44.54 H new ATOM 0 HD3 LYS B 63 14.813 21.280 0.663 1.00 44.54 H new ATOM 0 HE2 LYS B 63 16.738 21.614 -1.089 1.00 48.54 H new ATOM 0 HE3 LYS B 63 15.936 22.931 -1.321 1.00 48.54 H new ATOM 0 HZ1 LYS B 63 17.535 23.264 0.285 1.00 48.97 H new ATOM 0 HZ2 LYS B 63 16.233 23.441 0.907 1.00 48.97 H new ATOM 0 HZ3 LYS B 63 16.981 22.214 1.123 1.00 48.97 H new ATOM 1298 N GLU B 64 11.784 19.135 -2.924 1.00 28.75 N ATOM 1299 CA GLU B 64 11.573 19.380 -4.376 1.00 30.05 C ATOM 1300 C GLU B 64 10.326 20.206 -4.679 1.00 26.53 C ATOM 1301 O GLU B 64 10.344 21.104 -5.562 1.00 25.90 O ATOM 1302 CB GLU B 64 11.350 18.034 -5.048 1.00 31.25 C ATOM 1303 CG GLU B 64 12.658 17.225 -5.102 1.00 38.77 C ATOM 1304 CD GLU B 64 13.435 17.569 -6.374 1.00 45.84 C ATOM 1305 OE1 GLU B 64 14.134 18.623 -6.421 1.00 48.45 O ATOM 1306 OE2 GLU B 64 13.273 16.790 -7.336 1.00 46.84 O ATOM 0 H GLU B 64 11.726 18.309 -2.691 1.00 28.75 H new ATOM 0 HA GLU B 64 12.352 19.862 -4.694 1.00 30.05 H new ATOM 0 HB2 GLU B 64 10.675 17.534 -4.563 1.00 31.25 H new ATOM 0 HB3 GLU B 64 11.011 18.169 -5.947 1.00 31.25 H new ATOM 0 HG2 GLU B 64 13.199 17.419 -4.321 1.00 38.77 H new ATOM 0 HG3 GLU B 64 12.461 16.275 -5.081 1.00 38.77 H new ATOM 1307 N LEU B 65 9.250 19.836 -4.010 1.00 22.75 N ATOM 1308 CA LEU B 65 8.019 20.665 -4.088 1.00 22.82 C ATOM 1309 C LEU B 65 8.206 22.055 -3.484 1.00 22.22 C ATOM 1310 O LEU B 65 7.612 23.031 -3.976 1.00 21.25 O ATOM 1311 CB LEU B 65 6.805 19.953 -3.535 1.00 21.52 C ATOM 1312 CG LEU B 65 6.566 18.512 -4.033 1.00 24.54 C ATOM 1313 CD1 LEU B 65 5.311 17.934 -3.339 1.00 27.24 C ATOM 1314 CD2 LEU B 65 6.328 18.444 -5.555 1.00 23.03 C ATOM 0 H LEU B 65 9.193 19.135 -3.515 1.00 22.75 H new ATOM 0 HA LEU B 65 7.847 20.802 -5.033 1.00 22.82 H new ATOM 0 HB2 LEU B 65 6.880 19.932 -2.568 1.00 21.52 H new ATOM 0 HB3 LEU B 65 6.020 20.482 -3.747 1.00 21.52 H new ATOM 0 HG LEU B 65 7.365 18.004 -3.821 1.00 24.54 H new ATOM 0 HD11 LEU B 65 5.158 17.028 -3.650 1.00 27.24 H new ATOM 0 HD12 LEU B 65 5.446 17.927 -2.378 1.00 27.24 H new ATOM 0 HD13 LEU B 65 4.541 18.483 -3.553 1.00 27.24 H new ATOM 0 HD21 LEU B 65 6.183 17.522 -5.819 1.00 23.03 H new ATOM 0 HD22 LEU B 65 5.547 18.972 -5.785 1.00 23.03 H new ATOM 0 HD23 LEU B 65 7.103 18.795 -6.020 1.00 23.03 H new ATOM 1315 N GLN B 66 8.967 22.149 -2.391 1.00 20.82 N ATOM 1316 CA GLN B 66 9.197 23.414 -1.747 1.00 22.54 C ATOM 1317 C GLN B 66 9.923 24.374 -2.687 1.00 23.84 C ATOM 1318 O GLN B 66 9.553 25.534 -2.789 1.00 22.63 O ATOM 1319 CB GLN B 66 10.040 23.218 -0.500 1.00 24.07 C ATOM 1320 CG GLN B 66 10.130 24.392 0.367 1.00 23.98 C ATOM 1321 CD GLN B 66 11.112 24.174 1.461 1.00 29.51 C ATOM 1322 OE1 GLN B 66 12.316 24.138 1.210 1.00 30.06 O ATOM 1323 NE2 GLN B 66 10.629 23.989 2.662 1.00 26.05 N ATOM 0 H GLN B 66 9.356 21.480 -2.015 1.00 20.82 H new ATOM 0 HA GLN B 66 8.336 23.790 -1.508 1.00 22.54 H new ATOM 0 HB2 GLN B 66 9.672 22.481 0.012 1.00 24.07 H new ATOM 0 HB3 GLN B 66 10.936 22.959 -0.767 1.00 24.07 H new ATOM 0 HG2 GLN B 66 10.391 25.166 -0.157 1.00 23.98 H new ATOM 0 HG3 GLN B 66 9.258 24.587 0.745 1.00 23.98 H new ATOM 0 HE21 GLN B 66 9.780 24.023 2.794 1.00 26.05 H new ATOM 0 HE22 GLN B 66 11.161 23.834 3.320 1.00 26.05 H new ATOM 1324 N THR B 67 10.940 23.879 -3.395 1.00 23.10 N ATOM 1325 CA THR B 67 11.727 24.749 -4.304 1.00 25.18 C ATOM 1326 C THR B 67 10.830 25.261 -5.433 1.00 23.87 C ATOM 1327 O THR B 67 10.845 26.447 -5.779 1.00 21.32 O ATOM 1328 CB THR B 67 12.910 23.922 -4.862 1.00 26.45 C ATOM 1329 OG1 THR B 67 13.800 23.692 -3.753 1.00 26.81 O ATOM 1330 CG2 THR B 67 13.628 24.657 -6.032 1.00 33.05 C ATOM 0 H THR B 67 11.194 23.058 -3.371 1.00 23.10 H new ATOM 0 HA THR B 67 12.072 25.520 -3.827 1.00 25.18 H new ATOM 0 HB THR B 67 12.599 23.084 -5.237 1.00 26.45 H new ATOM 0 HG1 THR B 67 14.262 23.006 -3.902 1.00 26.81 H new ATOM 0 HG21 THR B 67 14.362 24.111 -6.356 1.00 33.05 H new ATOM 0 HG22 THR B 67 12.998 24.811 -6.753 1.00 33.05 H new ATOM 0 HG23 THR B 67 13.973 25.507 -5.717 1.00 33.05 H new ATOM 1331 N TRP B 68 10.035 24.366 -5.978 1.00 23.18 N ATOM 1332 CA TRP B 68 9.130 24.726 -7.082 1.00 23.65 C ATOM 1333 C TRP B 68 8.121 25.807 -6.653 1.00 22.61 C ATOM 1334 O TRP B 68 7.926 26.837 -7.350 1.00 22.92 O ATOM 1335 CB TRP B 68 8.359 23.468 -7.480 1.00 24.40 C ATOM 1336 CG TRP B 68 7.339 23.603 -8.637 1.00 24.78 C ATOM 1337 CD1 TRP B 68 5.944 23.624 -8.565 1.00 24.43 C ATOM 1338 CD2 TRP B 68 7.666 23.610 -10.018 1.00 27.70 C ATOM 1339 NE1 TRP B 68 5.427 23.709 -9.837 1.00 29.15 N ATOM 1340 CE2 TRP B 68 6.461 23.713 -10.739 1.00 31.51 C ATOM 1341 CE3 TRP B 68 8.874 23.642 -10.707 1.00 30.78 C ATOM 1342 CZ2 TRP B 68 6.440 23.803 -12.158 1.00 34.70 C ATOM 1343 CZ3 TRP B 68 8.835 23.705 -12.100 1.00 32.93 C ATOM 1344 CH2 TRP B 68 7.651 23.791 -12.783 1.00 29.46 C ATOM 0 H TRP B 68 9.994 23.542 -5.734 1.00 23.18 H new ATOM 0 HA TRP B 68 9.653 25.077 -7.819 1.00 23.65 H new ATOM 0 HB2 TRP B 68 9.003 22.785 -7.724 1.00 24.40 H new ATOM 0 HB3 TRP B 68 7.886 23.145 -6.697 1.00 24.40 H new ATOM 0 HD1 TRP B 68 5.444 23.586 -7.782 1.00 24.43 H new ATOM 0 HE1 TRP B 68 4.591 23.753 -10.035 1.00 29.15 H new ATOM 0 HE3 TRP B 68 9.685 23.622 -10.252 1.00 30.78 H new ATOM 0 HZ2 TRP B 68 5.643 23.867 -12.634 1.00 34.70 H new ATOM 0 HZ3 TRP B 68 9.633 23.688 -12.577 1.00 32.93 H new ATOM 0 HH2 TRP B 68 7.674 23.843 -13.711 1.00 29.46 H new ATOM 1345 N VAL B 69 7.474 25.559 -5.521 1.00 20.42 N ATOM 1346 CA VAL B 69 6.549 26.551 -4.945 1.00 20.35 C ATOM 1347 C VAL B 69 7.221 27.869 -4.701 1.00 19.56 C ATOM 1348 O VAL B 69 6.745 28.897 -5.140 1.00 20.69 O ATOM 1349 CB VAL B 69 5.852 26.030 -3.681 1.00 17.75 C ATOM 1350 CG1 VAL B 69 5.020 27.178 -3.044 1.00 21.79 C ATOM 1351 CG2 VAL B 69 4.902 24.786 -4.153 1.00 22.92 C ATOM 0 H VAL B 69 7.550 24.832 -5.068 1.00 20.42 H new ATOM 0 HA VAL B 69 5.857 26.700 -5.608 1.00 20.35 H new ATOM 0 HB VAL B 69 6.484 25.727 -3.010 1.00 17.75 H new ATOM 0 HG11 VAL B 69 4.578 26.852 -2.244 1.00 21.79 H new ATOM 0 HG12 VAL B 69 5.608 27.913 -2.811 1.00 21.79 H new ATOM 0 HG13 VAL B 69 4.354 27.486 -3.679 1.00 21.79 H new ATOM 0 HG21 VAL B 69 4.438 24.422 -3.383 1.00 22.92 H new ATOM 0 HG22 VAL B 69 4.253 25.102 -4.801 1.00 22.92 H new ATOM 0 HG23 VAL B 69 5.450 24.095 -4.556 1.00 22.92 H new ATOM 1352 N ARG B 70 8.377 27.834 -4.059 1.00 19.72 N ATOM 1353 CA ARG B 70 9.141 29.044 -3.814 1.00 22.74 C ATOM 1354 C ARG B 70 9.442 29.872 -5.063 1.00 23.16 C ATOM 1355 O ARG B 70 9.276 31.099 -5.061 1.00 23.97 O ATOM 1356 CB ARG B 70 10.432 28.678 -3.114 1.00 23.44 C ATOM 1357 CG ARG B 70 10.258 28.441 -1.607 1.00 24.10 C ATOM 1358 CD ARG B 70 11.600 28.036 -0.946 1.00 28.20 C ATOM 1359 NE ARG B 70 12.608 29.112 -1.092 1.00 31.56 N ATOM 1360 CZ ARG B 70 13.766 29.021 -1.774 1.00 34.52 C ATOM 1361 NH1 ARG B 70 14.157 27.884 -2.384 1.00 32.35 N ATOM 1362 NH2 ARG B 70 14.555 30.095 -1.843 1.00 35.83 N ATOM 0 H ARG B 70 8.739 27.115 -3.755 1.00 19.72 H new ATOM 0 HA ARG B 70 8.584 29.611 -3.258 1.00 22.74 H new ATOM 0 HB2 ARG B 70 10.798 27.877 -3.521 1.00 23.44 H new ATOM 0 HB3 ARG B 70 11.080 29.387 -3.251 1.00 23.44 H new ATOM 0 HG2 ARG B 70 9.918 29.247 -1.187 1.00 24.10 H new ATOM 0 HG3 ARG B 70 9.599 27.745 -1.460 1.00 24.10 H new ATOM 0 HD2 ARG B 70 11.457 27.847 -0.005 1.00 28.20 H new ATOM 0 HD3 ARG B 70 11.932 27.220 -1.352 1.00 28.20 H new ATOM 0 HE ARG B 70 12.439 29.862 -0.707 1.00 31.56 H new ATOM 0 HH11 ARG B 70 13.661 27.183 -2.346 1.00 32.35 H new ATOM 0 HH12 ARG B 70 14.903 27.860 -2.811 1.00 32.35 H new ATOM 0 HH21 ARG B 70 14.320 30.826 -1.456 1.00 35.83 H new ATOM 0 HH22 ARG B 70 15.298 30.056 -2.274 1.00 35.83 H new ATOM 1363 N ASP B 71 9.759 29.182 -6.149 1.00 24.24 N ATOM 1364 CA ASP B 71 10.109 29.838 -7.385 1.00 25.97 C ATOM 1365 C ASP B 71 8.901 30.539 -8.027 1.00 27.83 C ATOM 1366 O ASP B 71 9.076 31.434 -8.874 1.00 28.23 O ATOM 1367 CB ASP B 71 10.679 28.795 -8.357 1.00 27.55 C ATOM 1368 CG ASP B 71 12.179 28.593 -8.175 1.00 32.91 C ATOM 1369 OD1 ASP B 71 12.883 29.523 -7.724 1.00 37.19 O ATOM 1370 OD2 ASP B 71 12.673 27.495 -8.436 1.00 35.48 O ATOM 0 H ASP B 71 9.776 28.323 -6.185 1.00 24.24 H new ATOM 0 HA ASP B 71 10.770 30.520 -7.190 1.00 25.97 H new ATOM 0 HB2 ASP B 71 10.223 27.949 -8.225 1.00 27.55 H new ATOM 0 HB3 ASP B 71 10.501 29.074 -9.269 1.00 27.55 H new ATOM 1371 N HIS B 72 7.688 30.109 -7.663 1.00 26.93 N ATOM 1372 CA HIS B 72 6.459 30.760 -8.107 1.00 26.51 C ATOM 1373 C HIS B 72 6.047 31.993 -7.253 1.00 28.36 C ATOM 1374 O HIS B 72 5.069 32.644 -7.608 1.00 28.77 O ATOM 1375 CB HIS B 72 5.324 29.695 -8.205 1.00 25.93 C ATOM 1376 CG HIS B 72 5.450 28.796 -9.390 1.00 25.20 C ATOM 1377 ND1 HIS B 72 6.314 27.722 -9.461 1.00 25.28 N ATOM 1378 CD2 HIS B 72 4.825 28.851 -10.594 1.00 29.74 C ATOM 1379 CE1 HIS B 72 6.223 27.166 -10.660 1.00 28.97 C ATOM 1380 NE2 HIS B 72 5.310 27.822 -11.351 1.00 28.77 N ATOM 0 H HIS B 72 7.559 29.430 -7.151 1.00 26.93 H new ATOM 0 HA HIS B 72 6.627 31.134 -8.986 1.00 26.51 H new ATOM 0 HB2 HIS B 72 5.325 29.157 -7.398 1.00 25.93 H new ATOM 0 HB3 HIS B 72 4.467 30.149 -8.242 1.00 25.93 H new ATOM 0 HD1 HIS B 72 6.830 27.456 -8.827 1.00 25.28 H new ATOM 0 HD2 HIS B 72 4.185 29.474 -10.855 1.00 29.74 H new ATOM 0 HE1 HIS B 72 6.717 26.439 -10.963 1.00 28.97 H new ATOM 1381 N HIS B 73 6.827 32.315 -6.206 1.00 26.74 N ATOM 1382 CA AHIS B 73 6.601 33.469 -5.312 0.50 27.88 C ATOM 1383 CA BHIS B 73 6.614 33.453 -5.313 0.50 28.07 C ATOM 1384 C HIS B 73 5.113 33.652 -4.917 1.00 27.82 C ATOM 1385 O HIS B 73 4.508 34.700 -5.174 1.00 27.64 O ATOM 1386 CB AHIS B 73 7.138 34.809 -5.899 0.50 28.42 C ATOM 1387 CB BHIS B 73 7.366 34.698 -5.893 0.50 29.11 C ATOM 1388 CG AHIS B 73 8.416 34.688 -6.681 0.50 29.53 C ATOM 1389 CG BHIS B 73 6.655 36.007 -5.761 0.50 30.26 C ATOM 1390 ND1AHIS B 73 8.445 34.739 -8.058 0.50 31.42 N ATOM 1391 ND1BHIS B 73 5.705 36.425 -6.661 0.50 34.39 N ATOM 1392 CD2AHIS B 73 9.706 34.585 -6.280 0.50 29.22 C ATOM 1393 CD2BHIS B 73 6.782 37.008 -4.854 0.50 34.47 C ATOM 1394 CE1AHIS B 73 9.697 34.640 -8.475 0.50 31.21 C ATOM 1395 CE1BHIS B 73 5.254 37.618 -6.304 0.50 38.15 C ATOM 1396 NE2AHIS B 73 10.481 34.545 -7.416 0.50 28.82 N ATOM 1397 NE2BHIS B 73 5.899 37.998 -5.214 0.50 38.51 N ATOM 0 H AHIS B 73 7.521 31.855 -5.991 0.50 26.74 H new ATOM 0 H BHIS B 73 7.521 31.853 -5.994 0.50 26.74 H new ATOM 0 HA AHIS B 73 7.108 33.253 -4.514 0.50 28.07 H new ATOM 0 HA BHIS B 73 7.011 33.281 -4.445 0.50 28.07 H new ATOM 0 HB2AHIS B 73 6.457 35.191 -6.474 0.50 29.11 H new ATOM 0 HB2BHIS B 73 8.226 34.770 -5.451 0.50 29.11 H new ATOM 0 HB3AHIS B 73 7.278 35.434 -5.170 0.50 29.11 H new ATOM 0 HB3BHIS B 73 7.543 34.539 -6.833 0.50 29.11 H new ATOM 0 HD2AHIS B 73 10.010 34.548 -5.402 0.50 34.47 H new ATOM 0 HD2BHIS B 73 7.359 37.022 -4.125 0.50 34.47 H new ATOM 0 HE1AHIS B 73 9.977 34.638 -9.362 0.50 38.15 H new ATOM 0 HE1BHIS B 73 4.596 38.105 -6.745 0.50 38.15 H new ATOM 0 HE2AHIS B 73 11.338 34.470 -7.434 0.50 38.51 H new ATOM 0 HE2BHIS B 73 5.785 38.742 -4.799 0.50 38.51 H new ATOM 1398 N PRO B 74 4.485 32.611 -4.283 1.00 25.86 N ATOM 1399 CA PRO B 74 3.058 32.702 -4.008 1.00 23.30 C ATOM 1400 C PRO B 74 2.687 33.769 -3.017 1.00 23.69 C ATOM 1401 O PRO B 74 3.453 34.055 -2.051 1.00 22.79 O ATOM 1402 CB PRO B 74 2.709 31.262 -3.411 1.00 25.00 C ATOM 1403 CG PRO B 74 3.945 30.848 -2.786 1.00 21.22 C ATOM 1404 CD PRO B 74 5.039 31.334 -3.802 1.00 25.32 C ATOM 0 HA PRO B 74 2.569 32.943 -4.810 1.00 23.30 H new ATOM 0 HB2 PRO B 74 1.982 31.307 -2.770 1.00 25.00 H new ATOM 0 HB3 PRO B 74 2.436 30.644 -4.106 1.00 25.00 H new ATOM 0 HG2 PRO B 74 4.060 31.256 -1.913 1.00 21.22 H new ATOM 0 HG3 PRO B 74 3.977 29.887 -2.657 1.00 21.22 H new ATOM 0 HD2 PRO B 74 5.901 31.453 -3.374 1.00 25.32 H new ATOM 0 HD3 PRO B 74 5.166 30.701 -4.525 1.00 25.32 H new ATOM 1405 N GLU B 75 1.492 34.362 -3.184 1.00 23.36 N ATOM 1406 CA GLU B 75 1.086 35.389 -2.195 1.00 24.48 C ATOM 1407 C GLU B 75 0.000 34.856 -1.292 1.00 23.67 C ATOM 1408 O GLU B 75 -0.362 35.498 -0.304 1.00 23.42 O ATOM 1409 CB GLU B 75 0.583 36.664 -2.891 1.00 26.19 C ATOM 1410 CG GLU B 75 1.518 37.053 -4.029 1.00 34.14 C ATOM 1411 CD GLU B 75 0.998 38.253 -4.742 1.00 45.81 C ATOM 1412 OE1 GLU B 75 1.323 39.385 -4.293 1.00 47.65 O ATOM 1413 OE2 GLU B 75 0.256 38.033 -5.727 1.00 45.06 O ATOM 0 H GLU B 75 0.933 34.201 -3.817 1.00 23.36 H new ATOM 0 HA GLU B 75 1.869 35.608 -1.666 1.00 24.48 H new ATOM 0 HB2 GLU B 75 -0.312 36.520 -3.235 1.00 26.19 H new ATOM 0 HB3 GLU B 75 0.527 37.389 -2.249 1.00 26.19 H new ATOM 0 HG2 GLU B 75 2.404 37.236 -3.679 1.00 34.14 H new ATOM 0 HG3 GLU B 75 1.606 36.313 -4.650 1.00 34.14 H new ATOM 1414 N ASN B 76 -0.476 33.634 -1.573 1.00 20.10 N ATOM 1415 CA ASN B 76 -1.418 33.037 -0.621 1.00 18.53 C ATOM 1416 C ASN B 76 -1.383 31.533 -0.773 1.00 17.77 C ATOM 1417 O ASN B 76 -0.794 31.047 -1.712 1.00 17.75 O ATOM 1418 CB ASN B 76 -2.851 33.536 -0.889 1.00 20.16 C ATOM 1419 CG ASN B 76 -3.246 33.469 -2.337 1.00 18.08 C ATOM 1420 OD1 ASN B 76 -3.422 32.412 -2.895 1.00 21.74 O ATOM 1421 ND2 ASN B 76 -3.390 34.648 -2.967 1.00 18.38 N ATOM 0 H ASN B 76 -0.281 33.161 -2.264 1.00 20.10 H new ATOM 0 HA ASN B 76 -1.161 33.294 0.278 1.00 18.53 H new ATOM 0 HB2 ASN B 76 -3.473 33.007 -0.366 1.00 20.16 H new ATOM 0 HB3 ASN B 76 -2.930 34.453 -0.581 1.00 20.16 H new ATOM 0 HD21 ASN B 76 -3.615 34.667 -3.797 1.00 18.38 H new ATOM 0 HD22 ASN B 76 -3.257 35.383 -2.540 1.00 18.38 H new ATOM 1422 N GLY B 77 -2.072 30.825 0.107 1.00 19.43 N ATOM 1423 CA GLY B 77 -2.118 29.356 0.114 1.00 18.61 C ATOM 1424 C GLY B 77 -2.738 28.764 -1.142 1.00 18.91 C ATOM 1425 O GLY B 77 -2.294 27.694 -1.593 1.00 17.85 O ATOM 0 H GLY B 77 -2.539 31.185 0.733 1.00 19.43 H new ATOM 0 HA2 GLY B 77 -1.217 29.012 0.215 1.00 18.61 H new ATOM 0 HA3 GLY B 77 -2.623 29.059 0.887 1.00 18.61 H new ATOM 1426 N GLU B 78 -3.721 29.430 -1.732 1.00 18.45 N ATOM 1427 CA GLU B 78 -4.378 28.909 -2.941 1.00 19.54 C ATOM 1428 C GLU B 78 -3.388 28.891 -4.084 1.00 18.43 C ATOM 1429 O GLU B 78 -3.367 27.958 -4.879 1.00 18.40 O ATOM 1430 CB GLU B 78 -5.644 29.722 -3.302 1.00 20.65 C ATOM 1431 CG GLU B 78 -6.431 29.277 -4.556 1.00 21.48 C ATOM 1432 CD GLU B 78 -7.002 27.883 -4.409 1.00 23.17 C ATOM 1433 OE1 GLU B 78 -7.146 27.418 -3.256 1.00 22.62 O ATOM 1434 OE2 GLU B 78 -7.362 27.252 -5.431 1.00 27.12 O ATOM 0 H GLU B 78 -4.027 30.184 -1.455 1.00 18.45 H new ATOM 0 HA GLU B 78 -4.674 28.002 -2.766 1.00 19.54 H new ATOM 0 HB2 GLU B 78 -6.247 29.694 -2.542 1.00 20.65 H new ATOM 0 HB3 GLU B 78 -5.383 30.648 -3.423 1.00 20.65 H new ATOM 0 HG2 GLU B 78 -7.152 29.904 -4.722 1.00 21.48 H new ATOM 0 HG3 GLU B 78 -5.846 29.305 -5.329 1.00 21.48 H new ATOM 1435 N GLU B 79 -2.610 29.948 -4.221 1.00 18.42 N ATOM 1436 CA GLU B 79 -1.641 29.972 -5.309 1.00 18.47 C ATOM 1437 C GLU B 79 -0.629 28.779 -5.176 1.00 18.82 C ATOM 1438 O GLU B 79 -0.278 28.140 -6.161 1.00 18.34 O ATOM 1439 CB GLU B 79 -0.924 31.299 -5.289 1.00 19.95 C ATOM 1440 CG GLU B 79 -0.007 31.514 -6.505 1.00 27.72 C ATOM 1441 CD GLU B 79 0.543 32.940 -6.646 1.00 37.37 C ATOM 1442 OE1 GLU B 79 0.291 33.902 -5.802 1.00 36.66 O ATOM 1443 OE2 GLU B 79 1.250 33.092 -7.666 1.00 42.16 O ATOM 0 H GLU B 79 -2.621 30.643 -3.715 1.00 18.42 H new ATOM 0 HA GLU B 79 -2.098 29.868 -6.158 1.00 18.47 H new ATOM 0 HB2 GLU B 79 -1.580 32.013 -5.256 1.00 19.95 H new ATOM 0 HB3 GLU B 79 -0.395 31.362 -4.478 1.00 19.95 H new ATOM 0 HG2 GLU B 79 0.739 30.897 -6.446 1.00 27.72 H new ATOM 0 HG3 GLU B 79 -0.499 31.289 -7.310 1.00 27.72 H new ATOM 1444 N ALA B 80 -0.085 28.597 -3.982 1.00 16.48 N ATOM 1445 CA ALA B 80 0.804 27.496 -3.654 1.00 16.78 C ATOM 1446 C ALA B 80 0.174 26.128 -3.983 1.00 17.12 C ATOM 1447 O ALA B 80 0.827 25.310 -4.615 1.00 17.20 O ATOM 1448 CB ALA B 80 1.220 27.561 -2.192 1.00 16.36 C ATOM 0 H ALA B 80 -0.228 29.127 -3.320 1.00 16.48 H new ATOM 0 HA ALA B 80 1.596 27.588 -4.207 1.00 16.78 H new ATOM 0 HB1 ALA B 80 1.812 26.820 -1.991 1.00 16.36 H new ATOM 0 HB2 ALA B 80 1.681 28.398 -2.023 1.00 16.36 H new ATOM 0 HB3 ALA B 80 0.432 27.507 -1.629 1.00 16.36 H new ATOM 1449 N VAL B 81 -1.079 25.889 -3.603 1.00 18.09 N ATOM 1450 CA VAL B 81 -1.723 24.610 -3.910 1.00 17.66 C ATOM 1451 C VAL B 81 -1.907 24.427 -5.432 1.00 19.53 C ATOM 1452 O VAL B 81 -1.636 23.346 -6.004 1.00 18.26 O ATOM 1453 CB VAL B 81 -3.077 24.558 -3.203 1.00 18.67 C ATOM 1454 CG1 VAL B 81 -3.950 23.348 -3.700 1.00 22.12 C ATOM 1455 CG2 VAL B 81 -2.830 24.392 -1.725 1.00 19.06 C ATOM 0 H VAL B 81 -1.571 26.447 -3.171 1.00 18.09 H new ATOM 0 HA VAL B 81 -1.157 23.888 -3.596 1.00 17.66 H new ATOM 0 HB VAL B 81 -3.557 25.378 -3.399 1.00 18.67 H new ATOM 0 HG11 VAL B 81 -4.799 23.347 -3.231 1.00 22.12 H new ATOM 0 HG12 VAL B 81 -4.108 23.433 -4.653 1.00 22.12 H new ATOM 0 HG13 VAL B 81 -3.482 22.517 -3.523 1.00 22.12 H new ATOM 0 HG21 VAL B 81 -3.679 24.357 -1.257 1.00 19.06 H new ATOM 0 HG22 VAL B 81 -2.341 23.569 -1.569 1.00 19.06 H new ATOM 0 HG23 VAL B 81 -2.311 25.143 -1.397 1.00 19.06 H new ATOM 1456 N THR B 82 -2.319 25.515 -6.093 1.00 19.47 N ATOM 1457 CA THR B 82 -2.660 25.361 -7.520 1.00 20.57 C ATOM 1458 C THR B 82 -1.425 25.111 -8.344 1.00 21.19 C ATOM 1459 O THR B 82 -1.516 24.416 -9.341 1.00 21.08 O ATOM 1460 CB THR B 82 -3.503 26.489 -8.098 1.00 22.10 C ATOM 1461 OG1 THR B 82 -2.732 27.668 -8.113 1.00 26.61 O ATOM 1462 CG2 THR B 82 -4.750 26.681 -7.231 1.00 21.09 C ATOM 0 H THR B 82 -2.405 26.305 -5.763 1.00 19.47 H new ATOM 0 HA THR B 82 -3.233 24.579 -7.566 1.00 20.57 H new ATOM 0 HB THR B 82 -3.780 26.275 -9.003 1.00 22.10 H new ATOM 0 HG1 THR B 82 -2.129 27.616 -7.530 1.00 26.61 H new ATOM 0 HG21 THR B 82 -5.290 27.399 -7.596 1.00 21.09 H new ATOM 0 HG22 THR B 82 -5.267 25.860 -7.221 1.00 21.09 H new ATOM 0 HG23 THR B 82 -4.484 26.905 -6.326 1.00 21.09 H new ATOM 1463 N VAL B 83 -0.259 25.613 -7.938 1.00 21.67 N ATOM 1464 CA VAL B 83 0.891 25.280 -8.768 1.00 23.94 C ATOM 1465 C VAL B 83 1.312 23.815 -8.622 1.00 22.71 C ATOM 1466 O VAL B 83 1.783 23.211 -9.589 1.00 22.22 O ATOM 1467 CB VAL B 83 2.108 26.226 -8.639 1.00 26.55 C ATOM 1468 CG1 VAL B 83 1.748 27.661 -9.066 1.00 28.71 C ATOM 1469 CG2 VAL B 83 2.773 26.088 -7.288 1.00 28.37 C ATOM 0 H VAL B 83 -0.118 26.106 -7.247 1.00 21.67 H new ATOM 0 HA VAL B 83 0.563 25.420 -9.670 1.00 23.94 H new ATOM 0 HB VAL B 83 2.794 25.955 -9.269 1.00 26.55 H new ATOM 0 HG11 VAL B 83 2.528 28.231 -8.975 1.00 28.71 H new ATOM 0 HG12 VAL B 83 1.455 27.660 -9.991 1.00 28.71 H new ATOM 0 HG13 VAL B 83 1.035 27.997 -8.502 1.00 28.71 H new ATOM 0 HG21 VAL B 83 3.531 26.692 -7.237 1.00 28.37 H new ATOM 0 HG22 VAL B 83 2.137 26.308 -6.590 1.00 28.37 H new ATOM 0 HG23 VAL B 83 3.079 25.175 -7.169 1.00 28.37 H new ATOM 1470 N LEU B 84 1.059 23.205 -7.457 1.00 21.73 N ATOM 1471 CA LEU B 84 1.235 21.723 -7.333 1.00 21.63 C ATOM 1472 C LEU B 84 0.156 20.991 -8.083 1.00 21.18 C ATOM 1473 O LEU B 84 0.418 19.930 -8.683 1.00 23.71 O ATOM 1474 CB LEU B 84 1.233 21.305 -5.819 1.00 19.84 C ATOM 1475 CG LEU B 84 2.356 21.946 -5.002 1.00 23.02 C ATOM 1476 CD1 LEU B 84 2.235 21.549 -3.518 1.00 26.58 C ATOM 1477 CD2 LEU B 84 3.581 21.487 -5.618 1.00 21.57 C ATOM 0 H LEU B 84 0.793 23.603 -6.742 1.00 21.73 H new ATOM 0 HA LEU B 84 2.089 21.481 -7.724 1.00 21.63 H new ATOM 0 HB2 LEU B 84 0.380 21.547 -5.426 1.00 19.84 H new ATOM 0 HB3 LEU B 84 1.310 20.340 -5.758 1.00 19.84 H new ATOM 0 HG LEU B 84 2.322 22.915 -5.005 1.00 23.02 H new ATOM 0 HD11 LEU B 84 2.953 21.962 -3.013 1.00 26.58 H new ATOM 0 HD12 LEU B 84 1.381 21.850 -3.171 1.00 26.58 H new ATOM 0 HD13 LEU B 84 2.295 20.584 -3.435 1.00 26.58 H new ATOM 0 HD21 LEU B 84 4.341 21.860 -5.144 1.00 21.57 H new ATOM 0 HD22 LEU B 84 3.620 20.519 -5.579 1.00 21.57 H new ATOM 0 HD23 LEU B 84 3.605 21.774 -6.544 1.00 21.57 H new ATOM 1478 N GLU B 85 -1.064 21.527 -8.088 1.00 21.80 N ATOM 1479 CA GLU B 85 -2.179 20.797 -8.734 1.00 22.56 C ATOM 1480 C GLU B 85 -2.055 20.854 -10.247 1.00 22.56 C ATOM 1481 O GLU B 85 -2.514 19.921 -10.926 1.00 25.31 O ATOM 1482 CB GLU B 85 -3.581 21.288 -8.340 1.00 21.97 C ATOM 1483 CG GLU B 85 -3.987 20.891 -6.920 1.00 24.14 C ATOM 1484 CD GLU B 85 -5.355 21.461 -6.462 1.00 28.37 C ATOM 1485 OE1 GLU B 85 -5.895 22.448 -7.064 1.00 26.59 O ATOM 1486 OE2 GLU B 85 -5.863 20.937 -5.424 1.00 27.92 O ATOM 0 H GLU B 85 -1.272 22.285 -7.738 1.00 21.80 H new ATOM 0 HA GLU B 85 -2.096 19.887 -8.409 1.00 22.56 H new ATOM 0 HB2 GLU B 85 -3.612 22.254 -8.420 1.00 21.97 H new ATOM 0 HB3 GLU B 85 -4.229 20.930 -8.967 1.00 21.97 H new ATOM 0 HG2 GLU B 85 -4.017 19.923 -6.862 1.00 24.14 H new ATOM 0 HG3 GLU B 85 -3.301 21.191 -6.303 1.00 24.14 H new ATOM 1487 N ASP B 86 -1.428 21.904 -10.768 1.00 22.14 N ATOM 1488 CA ASP B 86 -1.111 22.015 -12.210 1.00 25.72 C ATOM 1489 C ASP B 86 -0.189 20.851 -12.676 1.00 26.54 C ATOM 1490 O ASP B 86 -0.423 20.243 -13.731 1.00 25.36 O ATOM 1491 CB ASP B 86 -0.408 23.370 -12.552 1.00 25.61 C ATOM 1492 CG ASP B 86 -1.392 24.600 -12.530 1.00 32.25 C ATOM 1493 OD1 ASP B 86 -2.617 24.415 -12.427 1.00 34.11 O ATOM 1494 OD2 ASP B 86 -0.920 25.756 -12.591 1.00 36.70 O ATOM 0 H ASP B 86 -1.170 22.579 -10.302 1.00 22.14 H new ATOM 0 HA ASP B 86 -1.960 21.971 -12.677 1.00 25.72 H new ATOM 0 HB2 ASP B 86 0.309 23.525 -11.918 1.00 25.61 H new ATOM 0 HB3 ASP B 86 -0.001 23.304 -13.430 1.00 25.61 H new ATOM 1495 N LEU B 87 0.820 20.536 -11.889 1.00 26.49 N ATOM 1496 CA LEU B 87 1.648 19.351 -12.218 1.00 27.42 C ATOM 1497 C LEU B 87 0.823 18.061 -12.180 1.00 28.39 C ATOM 1498 O LEU B 87 0.921 17.236 -13.068 1.00 27.77 O ATOM 1499 CB LEU B 87 2.774 19.205 -11.180 1.00 27.36 C ATOM 1500 CG LEU B 87 3.735 20.384 -11.157 1.00 25.86 C ATOM 1501 CD1 LEU B 87 4.585 20.350 -9.903 1.00 23.21 C ATOM 1502 CD2 LEU B 87 4.605 20.447 -12.440 1.00 26.90 C ATOM 0 H LEU B 87 1.051 20.966 -11.181 1.00 26.49 H new ATOM 0 HA LEU B 87 2.002 19.485 -13.111 1.00 27.42 H new ATOM 0 HB2 LEU B 87 2.381 19.100 -10.299 1.00 27.36 H new ATOM 0 HB3 LEU B 87 3.273 18.394 -11.366 1.00 27.36 H new ATOM 0 HG LEU B 87 3.208 21.198 -11.141 1.00 25.86 H new ATOM 0 HD11 LEU B 87 5.192 21.107 -9.903 1.00 23.21 H new ATOM 0 HD12 LEU B 87 4.012 20.395 -9.122 1.00 23.21 H new ATOM 0 HD13 LEU B 87 5.096 19.526 -9.881 1.00 23.21 H new ATOM 0 HD21 LEU B 87 5.203 21.209 -12.389 1.00 26.90 H new ATOM 0 HD22 LEU B 87 5.126 19.633 -12.518 1.00 26.90 H new ATOM 0 HD23 LEU B 87 4.031 20.539 -13.216 1.00 26.90 H new ATOM 1503 N GLU B 88 0.083 17.873 -11.089 1.00 28.26 N ATOM 1504 CA GLU B 88 -0.680 16.691 -10.870 1.00 30.65 C ATOM 1505 C GLU B 88 -1.715 16.501 -11.994 1.00 31.98 C ATOM 1506 O GLU B 88 -1.865 15.396 -12.502 1.00 32.30 O ATOM 1507 CB GLU B 88 -1.329 16.757 -9.478 1.00 31.31 C ATOM 1508 CG GLU B 88 -2.283 15.604 -9.234 1.00 37.05 C ATOM 1509 CD GLU B 88 -2.945 15.714 -7.883 1.00 41.01 C ATOM 1510 OE1 GLU B 88 -3.564 16.779 -7.617 1.00 37.67 O ATOM 1511 OE2 GLU B 88 -2.857 14.715 -7.122 1.00 41.18 O ATOM 0 H GLU B 88 0.021 18.450 -10.454 1.00 28.26 H new ATOM 0 HA GLU B 88 -0.101 15.913 -10.892 1.00 30.65 H new ATOM 0 HB2 GLU B 88 -0.636 16.750 -8.799 1.00 31.31 H new ATOM 0 HB3 GLU B 88 -1.808 17.596 -9.386 1.00 31.31 H new ATOM 0 HG2 GLU B 88 -2.961 15.590 -9.928 1.00 37.05 H new ATOM 0 HG3 GLU B 88 -1.800 14.765 -9.292 1.00 37.05 H new ATOM 1512 N SER B 89 -2.326 17.598 -12.450 1.00 32.92 N ATOM 1513 CA SER B 89 -3.299 17.559 -13.543 1.00 35.71 C ATOM 1514 C SER B 89 -2.686 17.067 -14.827 1.00 35.77 C ATOM 1515 O SER B 89 -3.314 16.256 -15.546 1.00 35.58 O ATOM 1516 CB SER B 89 -3.855 18.958 -13.796 1.00 35.64 C ATOM 1517 OG SER B 89 -4.934 19.124 -12.900 1.00 43.42 O ATOM 0 H SER B 89 -2.187 18.385 -12.133 1.00 32.92 H new ATOM 0 HA SER B 89 -4.002 16.947 -13.273 1.00 35.71 H new ATOM 0 HB2 SER B 89 -3.174 19.633 -13.647 1.00 35.64 H new ATOM 0 HB3 SER B 89 -4.151 19.052 -14.715 1.00 35.64 H new ATOM 0 HG SER B 89 -5.271 19.886 -13.005 1.00 43.42 H new ATOM 1518 N GLU B 90 -1.493 17.596 -15.120 1.00 34.91 N ATOM 1519 CA GLU B 90 -0.817 17.268 -16.376 1.00 37.08 C ATOM 1520 C GLU B 90 -0.325 15.807 -16.402 1.00 38.81 C ATOM 1521 O GLU B 90 -0.283 15.195 -17.478 1.00 39.70 O ATOM 1522 CB GLU B 90 0.338 18.227 -16.625 1.00 35.73 C ATOM 1523 CG GLU B 90 -0.060 19.656 -17.054 1.00 36.02 C ATOM 1524 CD GLU B 90 1.198 20.493 -17.376 1.00 37.61 C ATOM 1525 OE1 GLU B 90 2.321 19.903 -17.230 1.00 33.44 O ATOM 1526 OE2 GLU B 90 1.081 21.711 -17.722 1.00 36.56 O ATOM 0 H GLU B 90 -1.064 18.140 -14.610 1.00 34.91 H new ATOM 0 HA GLU B 90 -1.466 17.366 -17.090 1.00 37.08 H new ATOM 0 HB2 GLU B 90 0.868 18.286 -15.815 1.00 35.73 H new ATOM 0 HB3 GLU B 90 0.909 17.848 -17.311 1.00 35.73 H new ATOM 0 HG2 GLU B 90 -0.637 19.617 -17.832 1.00 36.02 H new ATOM 0 HG3 GLU B 90 -0.567 20.083 -16.346 1.00 36.02 H new ATOM 1527 N LEU B 91 0.017 15.263 -15.225 1.00 39.81 N ATOM 1528 CA LEU B 91 0.320 13.852 -15.051 1.00 43.76 C ATOM 1529 C LEU B 91 -0.897 12.933 -15.181 1.00 47.32 C ATOM 1530 O LEU B 91 -0.737 11.806 -15.599 1.00 48.07 O ATOM 1531 CB LEU B 91 0.990 13.571 -13.704 1.00 42.01 C ATOM 1532 CG LEU B 91 2.461 13.996 -13.545 1.00 39.84 C ATOM 1533 CD1 LEU B 91 2.875 13.964 -12.088 1.00 34.36 C ATOM 1534 CD2 LEU B 91 3.504 13.243 -14.450 1.00 40.31 C ATOM 0 H LEU B 91 0.078 15.719 -14.498 1.00 39.81 H new ATOM 0 HA LEU B 91 0.929 13.651 -15.778 1.00 43.76 H new ATOM 0 HB2 LEU B 91 0.473 14.014 -13.013 1.00 42.01 H new ATOM 0 HB3 LEU B 91 0.933 12.618 -13.533 1.00 42.01 H new ATOM 0 HG LEU B 91 2.484 14.907 -13.877 1.00 39.84 H new ATOM 0 HD11 LEU B 91 3.803 14.234 -12.009 1.00 34.36 H new ATOM 0 HD12 LEU B 91 2.317 14.573 -11.579 1.00 34.36 H new ATOM 0 HD13 LEU B 91 2.770 13.064 -11.741 1.00 34.36 H new ATOM 0 HD21 LEU B 91 4.394 13.585 -14.272 1.00 40.31 H new ATOM 0 HD22 LEU B 91 3.478 12.294 -14.253 1.00 40.31 H new ATOM 0 HD23 LEU B 91 3.285 13.385 -15.384 1.00 40.31 H new ATOM 1535 N ASP B 92 -2.084 13.394 -14.803 1.00 51.13 N ATOM 1536 CA ASP B 92 -3.290 12.533 -14.767 1.00 56.15 C ATOM 1537 C ASP B 92 -4.005 12.452 -16.101 1.00 58.68 C ATOM 1538 O ASP B 92 -4.768 11.510 -16.314 1.00 59.82 O ATOM 1539 CB ASP B 92 -4.291 13.013 -13.696 1.00 56.42 C ATOM 1540 CG ASP B 92 -3.728 12.912 -12.277 1.00 59.39 C ATOM 1541 OD1 ASP B 92 -2.811 12.077 -12.049 1.00 58.74 O ATOM 1542 OD2 ASP B 92 -4.194 13.684 -11.392 1.00 63.84 O ATOM 0 H ASP B 92 -2.224 14.207 -14.560 1.00 51.13 H new ATOM 0 HA ASP B 92 -2.965 11.646 -14.545 1.00 56.15 H new ATOM 0 HB2 ASP B 92 -4.537 13.933 -13.878 1.00 56.42 H new ATOM 0 HB3 ASP B 92 -5.102 12.485 -13.757 1.00 56.42 H new ATOM 1543 N ASP B 93 -3.770 13.455 -16.962 1.00 61.63 N ATOM 1544 CA ASP B 93 -4.273 13.530 -18.353 1.00 63.92 C ATOM 1545 C ASP B 93 -3.534 12.598 -19.352 1.00 64.82 C ATOM 1546 O ASP B 93 -2.675 11.773 -18.981 1.00 64.95 O ATOM 1547 CB ASP B 93 -4.153 14.978 -18.872 1.00 64.63 C ATOM 1548 CG ASP B 93 -5.258 15.902 -18.347 1.00 67.59 C ATOM 1549 OD1 ASP B 93 -6.426 15.445 -18.188 1.00 69.07 O ATOM 1550 OD2 ASP B 93 -4.946 17.101 -18.107 1.00 69.63 O ATOM 1551 OXT ASP B 93 -3.768 12.660 -20.581 1.00 65.19 O ATOM 0 H ASP B 93 -3.295 14.138 -16.746 1.00 61.63 H new ATOM 0 HA ASP B 93 -5.195 13.233 -18.311 1.00 63.92 H new ATOM 0 HB2 ASP B 93 -3.290 15.337 -18.614 1.00 64.63 H new ATOM 0 HB3 ASP B 93 -4.179 14.971 -19.842 1.00 64.63 H new TER 1552 ASP B 93 HETATM 1553 MG MG A 94 -5.522 15.236 -4.318 1.00 44.39 MG HETATM 1554 CL CL A 95 -9.811 24.253 -0.441 1.00 29.48 CL HETATM 1555 HG EMC A 96 -5.486 31.125 9.654 0.60 30.95 HG HETATM 1556 C1 EMC A 96 -5.416 31.165 7.270 0.60 32.26 C HETATM 1557 C2 EMC A 96 -6.518 31.858 6.531 0.60 19.47 C HETATM 1558 HG EMC A 97 3.733 42.887 13.985 0.50 33.87 HG HETATM 1559 C1 EMC A 97 3.372 44.351 15.796 0.50 26.15 C HETATM 1560 C2 EMC A 97 2.479 43.651 16.808 0.50 24.55 C HETATM 1561 C1 PEG B 94 9.343 29.229 14.154 1.00 44.41 C HETATM 1562 O1 PEG B 94 9.329 28.636 15.453 1.00 47.81 O HETATM 1563 C2 PEG B 94 7.961 29.678 13.702 1.00 38.70 C HETATM 1564 O2 PEG B 94 8.016 30.138 12.351 1.00 40.07 O HETATM 1565 C3 PEG B 94 8.006 29.165 11.301 1.00 41.02 C HETATM 1566 C4 PEG B 94 8.808 29.711 10.127 1.00 41.40 C HETATM 1567 O4 PEG B 94 9.194 28.717 9.161 1.00 48.62 O HETATM 0 HO4 PEG B 94 9.630 29.082 8.542 1.00 48.62 H new HETATM 0 HO1 PEG B 94 9.421 27.804 15.382 1.00 47.81 H new HETATM 0 H42 PEG B 94 8.284 30.394 9.681 1.00 41.40 H new HETATM 0 H41 PEG B 94 9.607 30.143 10.468 1.00 41.40 H new HETATM 0 H32 PEG B 94 8.390 28.330 11.612 1.00 41.02 H new HETATM 0 H31 PEG B 94 7.095 28.974 11.027 1.00 41.02 H new HETATM 0 H22 PEG B 94 7.333 28.942 13.776 1.00 38.70 H new HETATM 0 H21 PEG B 94 7.637 30.386 14.280 1.00 38.70 H new HETATM 0 H12 PEG B 94 9.943 29.992 14.157 1.00 44.41 H new HETATM 0 H11 PEG B 94 9.698 28.591 13.515 1.00 44.41 H new HETATM 1568 O HOH A 98 -4.889 32.847 21.426 1.00 31.21 O HETATM 1569 O HOH A 99 23.438 37.622 38.232 1.00 39.08 O HETATM 1570 O HOH A 100 15.563 43.076 35.826 1.00 41.35 O HETATM 1571 O HOH A 103 -13.557 26.489 -3.144 1.00 40.02 O HETATM 1572 O HOH A 104 6.098 23.463 18.162 1.00 43.49 O HETATM 1573 O HOH A 105 7.538 25.997 16.975 1.00 36.08 O HETATM 1574 O HOH A 106 4.263 40.219 21.302 1.00 32.39 O HETATM 1575 O HOH A 107 -6.813 24.516 0.479 1.00 23.42 O HETATM 1576 O HOH A 108 -8.875 44.451 14.259 1.00 35.75 O HETATM 1577 O HOH A 109 -5.512 17.213 -3.219 1.00 47.31 O HETATM 1578 O HOH A 110 21.770 33.636 40.612 1.00 39.28 O HETATM 1579 O HOH A 111 5.663 33.861 14.386 1.00 20.00 O HETATM 1580 O HOH A 112 11.387 31.102 14.000 1.00 42.88 O HETATM 1581 O HOH A 113 2.693 22.452 10.061 1.00 21.40 O HETATM 1582 O HOH A 114 2.307 30.513 23.016 1.00 33.15 O HETATM 1583 O HOH A 115 20.661 27.739 23.602 1.00 33.27 O HETATM 1584 O HOH A 116 1.799 15.912 -2.603 1.00 35.05 O HETATM 1585 O HOH A 117 10.680 35.121 38.189 1.00 30.80 O HETATM 1586 O HOH A 118 10.137 35.194 35.666 1.00 29.65 O HETATM 1587 O HOH A 119 7.935 29.914 20.108 1.00 30.74 O HETATM 1588 O HOH A 120 0.547 32.080 21.729 1.00 23.79 O HETATM 1589 O HOH A 121 2.684 33.448 20.465 1.00 22.96 O HETATM 1590 O HOH A 122 -4.004 24.465 16.423 1.00 25.85 O HETATM 1591 O HOH A 123 -0.032 29.287 26.401 1.00 33.78 O HETATM 1592 O HOH A 124 6.329 29.729 22.531 1.00 36.87 O HETATM 1593 O HOH A 125 -8.487 23.503 28.584 1.00 24.09 O HETATM 1594 O HOH A 126 23.552 36.201 42.410 1.00 41.80 O HETATM 1595 O HOH A 127 -0.685 33.377 23.836 1.00 39.68 O HETATM 1596 O HOH A 128 -11.500 25.339 -3.019 1.00 43.69 O HETATM 1597 O HOH A 129 -9.030 27.964 19.941 1.00 34.11 O HETATM 1598 O HOH A 130 4.262 31.952 21.853 1.00 34.00 O HETATM 1599 O HOH A 131 -3.420 34.348 23.585 1.00 29.73 O HETATM 1600 O HOH A 132 -5.601 14.126 -2.568 1.00 30.65 O HETATM 1601 O HOH A 134 -0.230 20.515 20.460 1.00 41.63 O HETATM 1602 O HOH A 135 12.046 39.248 40.319 1.00 36.38 O HETATM 1603 O HOH A 136 -7.874 18.932 5.231 1.00 31.78 O HETATM 1604 O HOH A 137 0.696 24.199 27.498 1.00 36.62 O HETATM 1605 O HOH A 138 0.594 17.578 16.511 1.00 32.37 O HETATM 1606 O HOH A 139 -5.901 13.479 -5.268 1.00 43.77 O HETATM 1607 O HOH A 140 11.713 30.137 11.310 1.00 33.75 O HETATM 1608 O HOH A 141 -7.425 15.260 -4.014 1.00 44.92 O HETATM 1609 O HOH A 142 -5.892 16.485 5.753 1.00 39.83 O HETATM 1610 O HOH A 143 14.592 25.354 24.968 1.00 35.58 O HETATM 1611 O HOH A 144 5.685 20.355 10.806 1.00 38.20 O HETATM 1612 O HOH A 145 5.288 14.908 6.886 1.00 37.65 O HETATM 1613 O HOH B 95 21.360 35.641 18.676 1.00 40.90 O HETATM 1614 O HOH B 96 9.584 31.232 1.078 1.00 36.10 O HETATM 1615 O HOH B 97 -2.144 30.083 -9.576 1.00 44.07 O HETATM 1616 O HOH B 98 -5.963 23.821 -9.481 1.00 35.88 O HETATM 1617 O HOH B 99 4.635 48.021 7.005 1.00 41.11 O HETATM 1618 O HOH B 100 -8.229 32.607 3.550 1.00 25.42 O HETATM 1619 O HOH B 101 7.692 25.894 10.983 1.00 30.11 O HETATM 1620 O HOH B 102 8.556 26.544 13.199 1.00 39.25 O HETATM 1621 O HOH B 103 5.673 32.293 2.355 1.00 29.01 O HETATM 1622 O HOH B 104 7.852 30.971 3.052 1.00 29.29 O HETATM 1623 O HOH B 105 11.411 44.235 -5.168 1.00 32.99 O HETATM 1624 O HOH B 106 3.704 37.541 0.360 1.00 43.74 O HETATM 1625 O HOH B 107 15.259 21.553 -4.403 1.00 32.40 O HETATM 1626 O HOH B 108 8.377 29.075 4.993 1.00 28.97 O HETATM 1627 O HOH B 109 -5.894 26.686 -0.830 1.00 19.96 O HETATM 1628 O HOH B 110 2.570 39.659 0.435 1.00 27.36 O HETATM 1629 O HOH B 111 6.358 17.850 6.532 1.00 30.06 O HETATM 1630 O HOH B 112 14.989 14.968 -8.267 1.00 37.50 O HETATM 1631 O HOH B 113 3.972 33.867 3.664 1.00 20.54 O HETATM 1632 O HOH B 114 13.903 36.396 14.774 1.00 21.97 O HETATM 1633 O HOH B 115 3.424 41.559 2.374 1.00 34.01 O HETATM 1634 O HOH B 116 6.410 46.715 4.030 1.00 27.15 O HETATM 1635 O HOH B 117 13.608 25.059 -1.175 1.00 40.72 O HETATM 1636 O HOH B 118 6.978 44.105 0.315 1.00 28.86 O HETATM 1637 O HOH B 119 16.867 40.439 10.582 1.00 30.67 O HETATM 1638 O HOH B 120 -7.435 28.494 -7.935 1.00 24.38 O HETATM 1639 O HOH B 121 -4.067 19.148 -4.140 1.00 23.87 O HETATM 1640 O HOH B 122 16.639 33.815 14.109 1.00 35.25 O HETATM 1641 O HOH B 123 3.713 31.100 9.774 1.00 21.16 O HETATM 1642 O HOH B 124 12.260 31.775 -8.992 1.00 28.78 O HETATM 1643 O HOH B 125 -9.805 26.097 -5.547 1.00 28.98 O HETATM 1644 O HOH B 126 11.049 42.426 8.044 1.00 20.22 O HETATM 1645 O HOH B 127 -2.512 34.378 -6.121 1.00 23.77 O HETATM 1646 O HOH B 128 -7.293 18.743 -5.803 1.00 36.73 O HETATM 1647 O HOH B 129 9.311 32.665 -2.766 1.00 35.23 O HETATM 1648 O HOH B 130 18.847 34.103 18.682 1.00 26.20 O HETATM 1649 O HOH B 131 4.981 36.853 -2.302 1.00 36.43 O HETATM 1650 O HOH B 132 11.605 16.315 -2.159 1.00 30.78 O HETATM 1651 O HOH B 133 4.916 51.586 12.245 1.00 40.10 O HETATM 1652 O HOH B 134 11.792 50.348 7.672 1.00 37.34 O HETATM 1653 O HOH B 135 7.665 48.605 10.637 1.00 27.54 O HETATM 1654 O HOH B 136 5.884 49.363 8.909 1.00 40.50 O HETATM 1655 O HOH B 137 -3.552 15.044 -4.544 1.00 33.66 O HETATM 1656 O HOH B 138 0.568 46.937 16.923 1.00 40.41 O HETATM 1657 O HOH B 139 7.058 49.646 13.004 1.00 38.00 O HETATM 1658 O HOH B 140 15.395 47.868 19.204 1.00 40.11 O HETATM 1659 O HOH B 141 9.357 50.483 9.775 1.00 40.35 O HETATM 1660 O HOH B 142 5.849 42.769 2.572 1.00 25.15 O HETATM 1661 O HOH B 143 2.746 35.383 -7.131 1.00 59.45 O HETATM 1662 O HOH B 144 -10.695 21.287 -5.380 1.00 45.93 O HETATM 1663 O HOH B 145 7.812 31.255 -0.984 1.00 26.39 O HETATM 1664 O HOH B 146 -8.564 22.313 -7.582 1.00 37.89 O HETATM 1665 O HOH B 147 -3.472 37.017 -1.659 1.00 35.11 O HETATM 1666 O HOH B 148 -5.873 16.528 -5.896 1.00 33.92 O HETATM 1667 O HOH B 149 8.548 41.738 -5.699 1.00 39.55 O HETATM 1668 O HOH B 150 5.749 32.901 -0.195 1.00 37.74 O HETATM 1669 O HOH B 151 -2.201 18.067 -5.834 1.00 31.47 O HETATM 1670 O HOH B 152 0.731 47.095 14.017 1.00 39.08 O HETATM 1671 O HOH B 153 7.078 49.096 -3.980 1.00 39.22 O HETATM 1672 O HOH B 154 -4.675 18.183 -9.866 1.00 41.32 O HETATM 1673 O HOH B 155 12.369 31.914 -0.791 1.00 35.67 O HETATM 1674 O HOH B 156 17.715 42.722 11.549 1.00 34.07 O HETATM 1675 O HOH B 157 3.403 24.015 -11.259 1.00 40.85 O HETATM 1676 O HOH B 158 11.404 23.880 5.932 1.00 47.65 O HETATM 1677 O HOH B 159 7.188 35.279 0.983 1.00 32.06 O HETATM 1678 O HOH B 160 4.911 36.239 2.365 1.00 23.81 O HETATM 1679 O HOH B 161 13.101 44.076 7.197 1.00 22.65 O CONECT 279 1555 CONECT 1050 1558 CONECT 1553 1577 1600 1606 1608 CONECT 1553 1655 1666 CONECT 1555 279 1556 CONECT 1556 1555 1557 CONECT 1557 1556 CONECT 1558 1050 1559 CONECT 1559 1558 1560 CONECT 1560 1559 CONECT 1561 1562 1563 CONECT 1562 1561 CONECT 1563 1561 1564 CONECT 1564 1563 1565 CONECT 1565 1564 1566 CONECT 1566 1565 1567 CONECT 1567 1566 CONECT 1577 1553 CONECT 1600 1553 CONECT 1606 1553 CONECT 1608 1553 CONECT 1655 1553 CONECT 1666 1553 END