USER MOD reduce.3.24.130724 H: found=0, std=0, add=2472, rem=0, adj=109 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER CELL ADHESION 28-MAR-14 4PZ4 TITLE HIGH-RESOLUTION CRYSTAL STRUCTURE OF THE HUMAN CD44 HYALURONAN BINDING TITLE 2 DOMAIN IN NEW SPACE GROUP COMPND MOL_ID: 1; COMPND 2 MOLECULE: CD44 ANTIGEN; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: HYALURONAN BINDING DOMAIN, RESIDUES 18-171; COMPND 5 SYNONYM: CDW44, EPICAN, EXTRACELLULAR MATRIX RECEPTOR III, ECMR-III, COMPND 6 GP90 LYMPHOCYTE HOMING/ADHESION RECEPTOR, HUTCH-I, HEPARAN SULFATE COMPND 7 PROTEOGLYCAN, HERMES ANTIGEN, HYALURONATE RECEPTOR, PHAGOCYTIC COMPND 8 GLYCOPROTEIN 1, PGP-1, PHAGOCYTIC GLYCOPROTEIN I, PGP-I; COMPND 9 ENGINEERED: YES; COMPND 0 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: CD44, CD44 LY-24, LHR, MDU2, MDU3, MIC4; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PMCSG7 KEYWDS LINK MODULE, BINDING PROTEIN, HYALURONAN, ECTODOMAIN, CELL ADHESION EXPDTA X-RAY DIFFRACTION AUTHOR L.K.LIU,B.FINZEL REVDAT 2 15-OCT-14 4PZ4 1 JRNL REVDAT 1 17-SEP-14 4PZ4 0 JRNL AUTH L.K.LIU,B.FINZEL JRNL TITL HIGH-RESOLUTION CRYSTAL STRUCTURES OF ALTERNATE FORMS OF THE JRNL TITL 2 HUMAN CD44 HYALURONAN-BINDING DOMAIN REVEAL A SITE FOR JRNL TITL 3 PROTEIN INTERACTION. JRNL REF ACTA CRYSTALLOGR F STRUCT V. 70 1155 2014 JRNL REF 2 BIOL COMMUN JRNL REFN ISSN 1744-3091 JRNL PMID 25195884 JRNL DOI 10.1107/S2053230X14015532 REMARK 2 REMARK 2 RESOLUTION. 1.60 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) : 1.60 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 60.86 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.2 REMARK 3 NUMBER OF REFLECTIONS : 56286 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) : 0.199 REMARK 3 R VALUE (WORKING SET) : 0.197 REMARK 3 FREE R VALUE : 0.229 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 REMARK 3 FREE R VALUE TEST SET COUNT : 2864 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) : 1.60 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.64 REMARK 3 REFLECTION IN BIN (WORKING SET) : 3738 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 96.08 REMARK 3 BIN R VALUE (WORKING SET) : 0.2600 REMARK 3 BIN FREE R VALUE SET COUNT : 180 REMARK 3 BIN FREE R VALUE : 0.2840 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2373 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 84 REMARK 3 SOLVENT ATOMS : 199 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 18.41 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.50000 REMARK 3 B22 (A**2) : 0.50000 REMARK 3 B33 (A**2) : -0.75000 REMARK 3 B12 (A**2) : 0.25000 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): 0.082 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.085 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.050 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.391 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.953 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.938 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2627 ; 0.013 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3576 ; 1.406 ; 1.965 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 330 ; 6.723 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 123 ;34.396 ;23.984 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 402 ;13.383 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 19 ;20.397 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 389 ; 0.094 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2021 ; 0.007 ; 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): 1611 ; 0.869 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2640 ; 1.593 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1016 ; 2.466 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 936 ; 3.805 ; 4.500 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL 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 4PZ4 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-APR-14. REMARK 100 THE RCSB ID CODE IS RCSB085400. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 05-NOV-11 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.0 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) : 1.000 REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL REMARK 200 OPTICS : K-B PAIR OF BIOMORPH MIRRORS FOR REMARK 200 VERTICAL AND HORIZONTAL FOCUSING REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 300 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XSCALE REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 56356 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.598 REMARK 200 RESOLUTION RANGE LOW (A) : 286.458 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.3 REMARK 200 DATA REDUNDANCY : 12.800 REMARK 200 R MERGE (I) : 0.06300 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 26.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.60 REMARK 200 COMPLETENESS FOR SHELL (%) : 80.4 REMARK 200 DATA REDUNDANCY IN SHELL : 12.10 REMARK 200 R MERGE FOR SHELL (I) : 0.49000 REMARK 200 R SYM FOR SHELL (I) : 0.51600 REMARK 200 FOR SHELL : 5.300 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 58.92 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.99 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 25% PEG 3350, 100 MM NACL, 100 MM REMARK 280 HEPES, (5% DMSO), PH 7.0, HANGING DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 61 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+5/6 REMARK 290 6555 X-Y,X,Z+1/6 REMARK 290 7555 Y,X,-Z+1/3 REMARK 290 8555 X-Y,-Y,-Z REMARK 290 9555 -X,-X+Y,-Z+2/3 REMARK 290 10555 -Y,-X,-Z+5/6 REMARK 290 11555 -X+Y,Y,-Z+1/2 REMARK 290 12555 X,X-Y,-Z+1/6 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 95.48600 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 190.97200 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 143.22900 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 238.71500 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 47.74300 REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 95.48600 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 190.97200 REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 238.71500 REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 143.22900 REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 47.74300 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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 ALA B 18 REMARK 465 MET B 19 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 43 13.50 -151.11 REMARK 500 SER A 109 -165.42 -126.24 REMARK 500 GLN B 21 138.31 -22.95 REMARK 500 SER B 43 13.90 -152.55 REMARK 500 TYR B 114 -150.31 -134.25 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 203 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PEG A 204 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 205 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 206 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 207 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PEG A 208 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PEG B 203 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 204 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO B 205 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO B 206 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DMS B 207 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PEG B 208 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1UUH RELATED DB: PDB REMARK 900 APO HUMAN CD44 HABD 20-178 REMARK 900 RELATED ID: 4PZ3 RELATED DB: PDB DBREF 4PZ4 A 18 171 UNP P16070 CD44_HUMAN 18 171 DBREF 4PZ4 B 18 171 UNP P16070 CD44_HUMAN 18 171 SEQADV 4PZ4 ALA A 18 UNP P16070 SER 18 ENGINEERED MUTATION SEQADV 4PZ4 MET A 19 UNP P16070 LEU 19 ENGINEERED MUTATION SEQADV 4PZ4 ALA B 18 UNP P16070 SER 18 ENGINEERED MUTATION SEQADV 4PZ4 MET B 19 UNP P16070 LEU 19 ENGINEERED MUTATION SEQRES 1 A 154 ALA MET ALA GLN ILE ASP LEU ASN ILE THR CYS ARG PHE SEQRES 2 A 154 ALA GLY VAL PHE HIS VAL GLU LYS ASN GLY ARG TYR SER SEQRES 3 A 154 ILE SER ARG THR GLU ALA ALA ASP LEU CYS LYS ALA PHE SEQRES 4 A 154 ASN SER THR LEU PRO THR MET ALA GLN MET GLU LYS ALA SEQRES 5 A 154 LEU SER ILE GLY PHE GLU THR CYS ARG TYR GLY PHE ILE SEQRES 6 A 154 GLU GLY HIS VAL VAL ILE PRO ARG ILE HIS PRO ASN SER SEQRES 7 A 154 ILE CYS ALA ALA ASN ASN THR GLY VAL TYR ILE LEU THR SEQRES 8 A 154 SER ASN THR SER GLN TYR ASP THR TYR CYS PHE ASN ALA SEQRES 9 A 154 SER ALA PRO PRO GLU GLU ASP CYS THR SER VAL THR ASP SEQRES 10 A 154 LEU PRO ASN ALA PHE ASP GLY PRO ILE THR ILE THR ILE SEQRES 11 A 154 VAL ASN ARG ASP GLY THR ARG TYR VAL GLN LYS GLY GLU SEQRES 12 A 154 TYR ARG THR ASN PRO GLU ASP ILE TYR PRO SER SEQRES 1 B 154 ALA MET ALA GLN ILE ASP LEU ASN ILE THR CYS ARG PHE SEQRES 2 B 154 ALA GLY VAL PHE HIS VAL GLU LYS ASN GLY ARG TYR SER SEQRES 3 B 154 ILE SER ARG THR GLU ALA ALA ASP LEU CYS LYS ALA PHE SEQRES 4 B 154 ASN SER THR LEU PRO THR MET ALA GLN MET GLU LYS ALA SEQRES 5 B 154 LEU SER ILE GLY PHE GLU THR CYS ARG TYR GLY PHE ILE SEQRES 6 B 154 GLU GLY HIS VAL VAL ILE PRO ARG ILE HIS PRO ASN SER SEQRES 7 B 154 ILE CYS ALA ALA ASN ASN THR GLY VAL TYR ILE LEU THR SEQRES 8 B 154 SER ASN THR SER GLN TYR ASP THR TYR CYS PHE ASN ALA SEQRES 9 B 154 SER ALA PRO PRO GLU GLU ASP CYS THR SER VAL THR ASP SEQRES 10 B 154 LEU PRO ASN ALA PHE ASP GLY PRO ILE THR ILE THR ILE SEQRES 11 B 154 VAL ASN ARG ASP GLY THR ARG TYR VAL GLN LYS GLY GLU SEQRES 12 B 154 TYR ARG THR ASN PRO GLU ASP ILE TYR PRO SER HET SO4 A 201 5 HET SO4 A 202 5 HET SO4 A 203 5 HET PEG A 204 7 HET GOL A 205 6 HET EDO A 206 4 HET EDO A 207 4 HET PEG A 208 7 HET SO4 B 201 5 HET SO4 B 202 5 HET PEG B 203 7 HET SO4 B 204 5 HET EDO B 205 4 HET EDO B 206 4 HET DMS B 207 4 HET PEG B 208 7 HETNAM SO4 SULFATE ION HETNAM PEG DI(HYDROXYETHYL)ETHER HETNAM GOL GLYCEROL HETNAM EDO 1,2-ETHANEDIOL HETNAM DMS DIMETHYL SULFOXIDE HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL HETSYN EDO ETHYLENE GLYCOL FORMUL 3 SO4 6(O4 S 2-) FORMUL 6 PEG 4(C4 H10 O3) FORMUL 7 GOL C3 H8 O3 FORMUL 8 EDO 4(C2 H6 O2) FORMUL 17 DMS C2 H6 O S FORMUL 19 HOH *199(H2 O) HELIX 1 1 SER A 45 PHE A 56 1 12 HELIX 2 2 THR A 62 ILE A 72 1 11 HELIX 3 3 CYS A 97 ASN A 101 5 5 HELIX 4 4 ASN A 164 TYR A 169 1 6 HELIX 5 5 SER B 45 PHE B 56 1 12 HELIX 6 6 THR B 62 ILE B 72 1 11 HELIX 7 7 CYS B 97 ASN B 101 5 5 HELIX 8 8 ASN B 164 TYR B 169 1 6 SHEET 1 A 8 GLY A 103 LEU A 107 0 SHEET 2 A 8 HIS A 85 ARG A 90 -1 N ARG A 90 O GLY A 103 SHEET 3 A 8 GLY A 80 ILE A 82 -1 N ILE A 82 O HIS A 85 SHEET 4 A 8 ASP A 115 PHE A 119 1 O TYR A 117 N PHE A 81 SHEET 5 A 8 VAL A 33 LYS A 38 -1 N VAL A 36 O THR A 116 SHEET 6 A 8 GLN A 21 ILE A 26 -1 N ASN A 25 O GLU A 37 SHEET 7 A 8 PHE A 139 ASN A 149 1 O THR A 146 N LEU A 24 SHEET 8 A 8 ARG A 154 GLU A 160 -1 O GLN A 157 N ILE A 145 SHEET 1 B 2 ARG A 29 PHE A 30 0 SHEET 2 B 2 GLU A 127 ASP A 128 -1 O ASP A 128 N ARG A 29 SHEET 1 C 8 GLY B 103 ILE B 106 0 SHEET 2 C 8 HIS B 85 ARG B 90 -1 N ARG B 90 O GLY B 103 SHEET 3 C 8 GLY B 80 ILE B 82 -1 N ILE B 82 O HIS B 85 SHEET 4 C 8 ASP B 115 PHE B 119 1 O TYR B 117 N PHE B 81 SHEET 5 C 8 VAL B 33 LYS B 38 -1 N VAL B 36 O THR B 116 SHEET 6 C 8 ILE B 22 ILE B 26 -1 N ASN B 25 O GLU B 37 SHEET 7 C 8 PHE B 139 VAL B 148 1 O THR B 144 N ILE B 22 SHEET 8 C 8 ARG B 154 GLU B 160 -1 O GLN B 157 N ILE B 145 SHEET 1 D 2 ARG B 29 PHE B 30 0 SHEET 2 D 2 GLU B 127 ASP B 128 -1 O ASP B 128 N ARG B 29 SSBOND *** CYS A 28 CYS A 129 1555 1555 2.08 SSBOND *** CYS A 53 CYS A 118 1555 1555 2.12 SSBOND *** CYS A 77 CYS A 97 1555 1555 2.05 SSBOND *** CYS B 28 CYS B 129 1555 1555 2.07 SSBOND *** CYS B 53 CYS B 118 1555 1555 2.07 SSBOND *** CYS B 77 CYS B 97 1555 1555 2.03 SITE *** AC1 9 ARG A 41 TYR A 42 ARG A 78 PEG A 204 SITE *** AC1 9 HOH A 307 HOH A 310 CYS B 77 ARG B 78 SITE *** AC1 9 PEG B 203 SITE *** AC2 5 ARG A 29 PHE A 34 PHE A 56 ASN A 120 SITE *** AC2 5 VAL A 132 SITE *** AC3 4 ALA A 31 ASN A 120 ALA A 123 PRO A 125 SITE *** AC4 7 TYR A 42 THR A 111 GLN A 113 TYR A 114 SITE *** AC4 7 SO4 A 201 HOH A 407 ASN B 94 SITE *** AC5 9 THR A 62 ALA A 64 GLN A 65 HOH A 357 SITE *** AC5 9 HOH A 382 HOH A 390 HOH A 399 ASP B 140 SITE *** AC5 9 GLY B 141 SITE *** AC6 5 THR A 27 CYS A 28 HOH A 375 HOH A 394 SITE *** AC6 5 HOH A 411 SITE *** AC7 4 ASN A 94 ILE A 96 SO4 B 201 HOH B 355 SITE *** AC8 7 ASP A 23 ASN A 25 ASN A 39 GLY A 40 SITE *** AC8 7 ASP B 23 ASN B 25 GLY B 40 SITE *** AC9 8 CYS A 77 EDO A 207 ARG B 41 TYR B 42 SITE *** AC9 8 ARG B 78 PEG B 203 HOH B 315 HOH B 325 SITE *** BC1 6 ARG B 46 GLU B 83 GLY B 84 PEG B 208 SITE *** BC1 6 HOH B 349 HOH B 380 SITE *** BC2 11 GLU A 37 GLY A 40 ARG A 41 ARG A 78 SITE *** BC2 11 SO4 A 201 GLU B 37 GLY B 40 ARG B 41 SITE *** BC2 11 ARG B 78 SO4 B 201 HOH B 368 SITE *** BC3 5 ARG B 29 PHE B 56 SER B 58 ASN B 120 SITE *** BC3 5 VAL B 132 SITE *** BC4 4 ALA B 138 PHE B 139 GLN B 157 LYS B 158 SITE *** BC5 5 ALA B 20 ILE B 143 ARG B 162 HOH B 322 SITE *** BC5 5 HOH B 323 SITE *** BC6 4 SER A 95 ILE A 96 TYR B 79 HOH B 372 SITE *** BC7 7 ARG B 46 HIS B 85 VAL B 86 SER B 109 SITE *** BC7 7 SO4 B 202 HOH B 304 HOH B 380 CRYST1 70.271 70.271 286.458 90.00 90.00 120.00 P 61 2 2 24 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 0.014231 0.008216 0.000000 0.00000 SCALE2 0.000000 0.016432 0.000000 0.00000 SCALE3 0.000000 0.000000 0.003491 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 105 TYR OH : rot 166:sc= 0.388 USER MOD Set 1.2: B 207 DMS C2 :methyl 180:sc= -0.0949 (180deg=-0.0949) USER MOD Set 2.1: B 157 GLN : amide:sc= 2.63 K(o=3.3,f=-4.2!) USER MOD Set 2.2: B 205 EDO O2 : rot 150:sc= 0.651 USER MOD Set 3.1: B 45 SER OG : rot -169:sc= 0.924 USER MOD Set 3.2: B 47 THR OG1 : rot 77:sc= 1.38 USER MOD Set 3.3: B 164 ASN : amide:sc= 0.338 K(o=2.6,f=-3.1!) USER MOD Set 4.1: B 131 SER OG : rot -150:sc= -3.74! USER MOD Set 4.2: B 153 THR OG1 : rot -84:sc= 1.71 USER MOD Set 4.3: B 155 TYR OH : rot 116:sc= 0.944 USER MOD Set 5.1: B 109 SER OG : rot 98:sc= 0.596 USER MOD Set 5.2: B 208 PEG O1 : rot -110:sc= 2.62 USER MOD Set 6.1: B 76 THR OG1 : rot -146:sc= 1 USER MOD Set 6.2: B 117 TYR OH : rot 136:sc= 1.68 USER MOD Set 7.1: B 58 SER OG : rot 66:sc= 0.461 USER MOD Set 7.2: B 120 ASN : amide:sc= 0.0627 K(o=0.52,f=-2.3) USER MOD Set 8.1: A 208 PEG O4 : rot -128:sc= 0.664 USER MOD Set 8.2: B 25 ASN :FLIP amide:sc= 0.0667 F(o=-0.35!,f=0.73) USER MOD Set 9.1: A 94 ASN : amide:sc= 0.205 K(o=1,f=-4.5!) USER MOD Set 9.2: A 207 EDO O1 : rot 84:sc= 0.799 USER MOD Set10.1: A 62 THR OG1 : rot 114:sc= -0.359 USER MOD Set10.2: A 205 GOL O3 : rot -35:sc= 1.04 USER MOD Set11.1: A 45 SER OG : rot -160:sc= 1.19 USER MOD Set11.2: A 47 THR OG1 : rot 84:sc= 2.12 USER MOD Set11.3: A 164 ASN : amide:sc= 0.418 K(o=3.7,f=-0.43) USER MOD Set12.1: A 131 SER OG A: rot 85:sc= 1.05 USER MOD Set12.2: A 131 SER OG B: rot -101:sc= 0.279 USER MOD Set12.3: A 149 ASN : amide:sc= 2.18 K(o=6,f=0.77!) USER MOD Set12.4: A 153 THR OG1 : rot -83:sc= 1.81 USER MOD Set12.5: A 155 TYR OH : rot -158:sc= 0.686 USER MOD Set13.1: A 58 SER OG : rot 66:sc= 0.318 USER MOD Set13.2: A 120 ASN : amide:sc= 0.0496 K(o=0.37,f=-2!) USER MOD Set14.1: A 76 THR OG1 : rot -140:sc= 1.2 USER MOD Set14.2: A 117 TYR OH : rot 150:sc= 1.7 USER MOD Set15.1: A 111 THR OG1 : rot 123:sc= 1.45 USER MOD Set15.2: A 114 TYR OH : rot 84:sc= 0.125 USER MOD Set15.3: A 204 PEG O4 : rot 134:sc= 2.27 USER MOD Set16.1: A 109 SER OG : rot 91:sc= 0.718 USER MOD Set16.2: A 110 ASN : amide:sc= 0.645 K(o=1.4,f=-2!) USER MOD Single : A 19 MET CE :methyl -126:sc= -0.908 (180deg=-1.89) USER MOD Single : A 21 GLN : amide:sc= -0.77 K(o=-0.77,f=-1.3) USER MOD Single : A 25 ASN :FLIP amide:sc= 0.6 F(o=0.035,f=0.6) USER MOD Single : A 27 THR OG1 : rot 82:sc= 1.04 USER MOD Single : A 35 HIS : no HD1:sc= 3.07 K(o=3.1,f=-3.8!) USER MOD Single : A 38 LYS NZ :NH3+ -174:sc= 1.95 (180deg=1.9) USER MOD Single : A 39 ASN : amide:sc= 1.18 K(o=1.2,f=-2.8!) USER MOD Single : A 42 TYR OH : rot -165:sc= 1.5 USER MOD Single : A 43 SER OG : rot -119:sc= 0.198 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN A:FLIP amide:sc= -0.0872 F(o=-0.81,f=-0.087) USER MOD Single : A 57 ASN B:FLIP amide:sc= -0.219 F(o=-1.5!,f=-0.22) USER MOD Single : A 59 THR OG1 : rot 113:sc= 1.55 USER MOD Single : A 63 MET CE :methyl 174:sc= -1.99! (180deg=-2.02) USER MOD Single : A 65 GLN : amide:sc= 1.69 K(o=1.7,f=-2.7!) USER MOD Single : A 66 MET CE A:methyl 168:sc= -0.659 (180deg=-0.862) USER MOD Single : A 66 MET CE B:methyl -157:sc= -0.0263 (180deg=-0.182) USER MOD Single : A 68 LYS NZ :NH3+ -172:sc=0.000915 (180deg=0) USER MOD Single : A 71 SER OG : rot -56:sc= 2.18 USER MOD Single : A 79 TYR OH : rot 30:sc= 2.1 USER MOD Single : A 85 HIS : no HD1:sc= 0.906 K(o=0.91,f=-3.3!) USER MOD Single : A 92 HIS : no HE2:sc= -0.51 K(o=-0.51,f=-1.5!) USER MOD Single : A 95 SER OG : rot 129:sc= 0.809 USER MOD Single : A 100 ASN : amide:sc= 0.00387 K(o=0.0039,f=-0.75) USER MOD Single : A 101 ASN : amide:sc= 0.389 X(o=0.39,f=-0.055) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 30:sc= 1.21 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 SER OG A: rot 180:sc= 0 USER MOD Single : A 112 SER OG B: rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.0657 K(o=-0.066,f=-0.66) USER MOD Single : A 116 THR OG1 : rot -75:sc= -0.228 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A 133 THR OG1 : rot -58:sc= 0.0472 USER MOD Single : A 137 ASN :FLIP amide:sc= -0.125 F(o=-0.96!,f=-0.12) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot 87:sc= 1.21 USER MOD Single : A 157 GLN : amide:sc= 2.58 K(o=2.6,f=-4.7!) USER MOD Single : A 158 LYS NZ :NH3+ -155:sc= 0.373 (180deg=0.0514) USER MOD Single : A 161 TYR OH : rot -22:sc= 1.33 USER MOD Single : A 163 THR OG1 : rot -54:sc= 0.887 USER MOD Single : A 169 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 SER OG : rot 180:sc= 0 USER MOD Single : A 204 PEG O1 : rot 170:sc= 1.94 USER MOD Single : A 205 GOL O1 : rot 138:sc= 1.55 USER MOD Single : A 205 GOL O2 : rot -161:sc= 1.05 USER MOD Single : A 206 EDO O1 : rot -30:sc= 1.44 USER MOD Single : A 206 EDO O2 : rot -164:sc= 0.381 USER MOD Single : A 207 EDO O2 : rot -86:sc= 0.00073 USER MOD Single : A 208 PEG O1 : rot 159:sc= 0.404 USER MOD Single : B 21 GLN : amide:sc= 0.634 K(o=0.63,f=-1.1) USER MOD Single : B 27 THR OG1 : rot 81:sc= 1.21 USER MOD Single : B 35 HIS : no HD1:sc= 3.31 K(o=3.3,f=-3.8!) USER MOD Single : B 38 LYS NZ :NH3+ -172:sc= 2.31 (180deg=2.22) USER MOD Single : B 39 ASN : amide:sc= 1.16 K(o=1.2,f=-2.5!) USER MOD Single : B 42 TYR OH : rot 178:sc= 1.63 USER MOD Single : B 43 SER OG : rot -119:sc= 0.286 USER MOD Single : B 54 LYS NZ :NH3+ -179:sc= 0.561 (180deg=0.56) USER MOD Single : B 57 ASN :FLIP amide:sc= -0.0533 F(o=-0.68,f=-0.053) USER MOD Single : B 59 THR OG1 : rot 31:sc= 2.02 USER MOD Single : B 62 THR OG1 : rot -169:sc= 1.33 USER MOD Single : B 63 MET CE :methyl -176:sc= -1.04 (180deg=-1.12) USER MOD Single : B 65 GLN : amide:sc= 1.5 K(o=1.5,f=-3.1!) USER MOD Single : B 66 MET CE A:methyl -159:sc= -0.18 (180deg=-0.879) USER MOD Single : B 66 MET CE B:methyl -130:sc= -0.11 (180deg=-0.922) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 SER OG : rot -56:sc= 0.972 USER MOD Single : B 79 TYR OH : rot -126:sc= 2.01 USER MOD Single : B 85 HIS : no HE2:sc= 0.785 K(o=0.78,f=-4.9!) USER MOD Single : B 92 HIS : no HE2:sc= 0.0585 X(o=0.059,f=-0.34) USER MOD Single : B 94 ASN : amide:sc= -2.23! C(o=-2.2!,f=-5.7!) USER MOD Single : B 95 SER OG : rot 180:sc= 0 USER MOD Single : B 100 ASN : amide:sc= -0.0796 K(o=-0.08,f=-2.3!) USER MOD Single : B 101 ASN : amide:sc= 1.39 X(o=1.4,f=1.2) USER MOD Single : B 102 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 THR OG1 : rot 180:sc= 0 USER MOD Single : B 110 ASN : amide:sc= 0.0261 K(o=0.026,f=-0.72) USER MOD Single : B 111 THR OG1 : rot -104:sc= 1.26 USER MOD Single : B 112 SER OG : rot 180:sc= 0 USER MOD Single : B 113 GLN : amide:sc= -0.0295 K(o=-0.029,f=-0.69) USER MOD Single : B 114 TYR OH : rot 0:sc= 0.808 USER MOD Single : B 116 THR OG1 : rot -80:sc= -0.48 USER MOD Single : B 122 SER OG : rot 180:sc= 0 USER MOD Single : B 130 THR OG1 : rot 83:sc= 1.28 USER MOD Single : B 133 THR OG1 : rot -95:sc= 0.0159 USER MOD Single : B 137 ASN : amide:sc= 0.221 X(o=0.22,f=-0.14) USER MOD Single : B 144 THR OG1 : rot 180:sc= 0 USER MOD Single : B 146 THR OG1 : rot -115:sc= 1.18 USER MOD Single : B 149 ASN : amide:sc=-0.00802! C(o=-0.008!,f=-3.3!) USER MOD Single : B 158 LYS NZ :NH3+ 156:sc= 1.12 (180deg=0.733) USER MOD Single : B 161 TYR OH : rot -34:sc= 1.25 USER MOD Single : B 163 THR OG1 : rot -93:sc= 1.09 USER MOD Single : B 169 TYR OH : rot 180:sc= 0 USER MOD Single : B 171 SER OG : rot 180:sc= 0 USER MOD Single : B 203 PEG O1 : rot -99:sc= 1.4 USER MOD Single : B 203 PEG O4 : rot -87:sc= 1.12 USER MOD Single : B 205 EDO O1 : rot 180:sc= 0 USER MOD Single : B 206 EDO O1 : rot 180:sc= 0 USER MOD Single : B 206 EDO O2 : rot 104:sc= 1.81 USER MOD Single : B 207 DMS C1 :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 208 PEG O4 : rot 180:sc= -2.22! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 18 29.418 -27.883 12.332 1.00 18.20 N ATOM 2 CA ALA A 18 28.112 -27.185 12.561 1.00 17.32 C ATOM 3 C ALA A 18 27.823 -27.113 14.047 1.00 17.85 C ATOM 4 O ALA A 18 28.193 -28.014 14.817 1.00 17.55 O ATOM 5 CB ALA A 18 26.969 -27.927 11.865 1.00 17.36 C ATOM 0 HA ALA A 18 28.177 -26.290 12.192 1.00 17.32 H new ATOM 0 HB1 ALA A 18 26.134 -27.460 12.026 1.00 17.36 H new ATOM 0 HB2 ALA A 18 27.140 -27.964 10.911 1.00 17.36 H new ATOM 0 HB3 ALA A 18 26.907 -28.829 12.217 1.00 17.36 H new ATOM 6 N MET A 19 27.132 -26.060 14.461 1.00 17.21 N ATOM 7 CA MET A 19 26.726 -25.979 15.857 1.00 17.85 C ATOM 8 C MET A 19 25.670 -27.024 16.178 1.00 16.76 C ATOM 9 O MET A 19 24.833 -27.352 15.356 1.00 16.02 O ATOM 10 CB MET A 19 26.270 -24.559 16.185 1.00 19.54 C ATOM 11 CG MET A 19 27.431 -23.558 16.178 1.00 25.96 C ATOM 12 SD MET A 19 26.869 -21.884 16.529 1.00 39.37 S ATOM 13 CE MET A 19 25.711 -21.598 15.177 1.00 36.58 C ATOM 0 H MET A 19 26.893 -25.398 13.966 1.00 17.21 H new ATOM 0 HA MET A 19 27.487 -26.178 16.424 1.00 17.85 H new ATOM 0 HB2 MET A 19 25.601 -24.280 15.541 1.00 19.54 H new ATOM 0 HB3 MET A 19 25.845 -24.552 17.057 1.00 19.54 H new ATOM 0 HG2 MET A 19 28.091 -23.823 16.838 1.00 25.96 H new ATOM 0 HG3 MET A 19 27.870 -23.578 15.313 1.00 25.96 H new ATOM 0 HE1 MET A 19 25.953 -20.783 14.711 1.00 36.58 H new ATOM 0 HE2 MET A 19 25.743 -22.345 14.559 1.00 36.58 H new ATOM 0 HE3 MET A 19 24.813 -21.512 15.533 1.00 36.58 H new ATOM 14 N ALA A 20 25.753 -27.604 17.368 1.00 16.29 N ATOM 15 CA ALA A 20 24.843 -28.679 17.725 1.00 16.27 C ATOM 16 C ALA A 20 23.484 -28.243 18.279 1.00 15.63 C ATOM 17 O ALA A 20 22.692 -29.078 18.675 1.00 15.81 O ATOM 18 CB ALA A 20 25.550 -29.662 18.713 1.00 18.92 C ATOM 0 H ALA A 20 26.323 -27.392 17.976 1.00 16.29 H new ATOM 0 HA ALA A 20 24.629 -29.121 16.888 1.00 16.27 H new ATOM 0 HB1 ALA A 20 24.940 -30.378 18.949 1.00 18.92 H new ATOM 0 HB2 ALA A 20 26.338 -30.036 18.289 1.00 18.92 H new ATOM 0 HB3 ALA A 20 25.811 -29.183 19.515 1.00 18.92 H new ATOM 19 N GLN A 21 23.198 -26.931 18.272 1.00 15.19 N ATOM 20 CA GLN A 21 21.924 -26.420 18.786 1.00 14.90 C ATOM 21 C GLN A 21 21.427 -25.321 17.869 1.00 13.16 C ATOM 22 O GLN A 21 22.232 -24.519 17.376 1.00 14.47 O ATOM 23 CB GLN A 21 22.072 -25.790 20.191 1.00 15.91 C ATOM 24 CG GLN A 21 22.838 -26.605 21.224 1.00 24.27 C ATOM 25 CD GLN A 21 24.361 -26.521 21.040 1.00 30.75 C ATOM 26 OE1 GLN A 21 24.902 -25.521 20.523 1.00 34.32 O ATOM 27 NE2 GLN A 21 25.054 -27.585 21.439 1.00 33.51 N ATOM 0 H GLN A 21 23.730 -26.325 17.974 1.00 15.19 H new ATOM 0 HA GLN A 21 21.313 -27.172 18.832 1.00 14.90 H new ATOM 0 HB2 GLN A 21 22.513 -24.932 20.094 1.00 15.91 H new ATOM 0 HB3 GLN A 21 21.184 -25.615 20.540 1.00 15.91 H new ATOM 0 HG2 GLN A 21 22.606 -26.293 22.113 1.00 24.27 H new ATOM 0 HG3 GLN A 21 22.561 -27.533 21.168 1.00 24.27 H new ATOM 0 HE21 GLN A 21 24.647 -28.256 21.791 1.00 33.51 H new ATOM 0 HE22 GLN A 21 25.909 -27.602 21.345 1.00 33.51 H new ATOM 28 N ILE A 22 20.113 -25.296 17.672 1.00 11.98 N ATOM 29 CA ILE A 22 19.438 -24.226 16.908 1.00 12.65 C ATOM 30 C ILE A 22 18.262 -23.725 17.726 1.00 12.34 C ATOM 31 O ILE A 22 17.494 -24.521 18.248 1.00 12.93 O ATOM 32 CB ILE A 22 18.916 -24.788 15.566 1.00 11.56 C ATOM 33 CG1 ILE A 22 20.080 -25.005 14.625 1.00 12.46 C ATOM 34 CG2 ILE A 22 17.985 -23.746 14.879 1.00 12.55 C ATOM 35 CD1 ILE A 22 19.711 -25.738 13.351 1.00 12.95 C ATOM 0 H ILE A 22 19.578 -25.897 17.975 1.00 11.98 H new ATOM 0 HA ILE A 22 20.062 -23.505 16.729 1.00 12.65 H new ATOM 0 HB ILE A 22 18.442 -25.615 15.747 1.00 11.56 H new ATOM 0 HG12 ILE A 22 20.462 -24.144 14.393 1.00 12.46 H new ATOM 0 HG13 ILE A 22 20.770 -25.506 15.088 1.00 12.46 H new ATOM 0 HG21 ILE A 22 17.662 -24.105 14.038 1.00 12.55 H new ATOM 0 HG22 ILE A 22 17.232 -23.553 15.459 1.00 12.55 H new ATOM 0 HG23 ILE A 22 18.481 -22.929 14.712 1.00 12.55 H new ATOM 0 HD11 ILE A 22 20.500 -25.842 12.797 1.00 12.95 H new ATOM 0 HD12 ILE A 22 19.354 -26.612 13.572 1.00 12.95 H new ATOM 0 HD13 ILE A 22 19.042 -25.229 12.867 1.00 12.95 H new ATOM 36 N ASP A 23 18.137 -22.398 17.852 1.00 12.79 N ATOM 37 CA ASP A 23 16.986 -21.794 18.508 1.00 13.45 C ATOM 38 C ASP A 23 16.060 -21.169 17.471 1.00 12.77 C ATOM 39 O ASP A 23 16.535 -20.455 16.589 1.00 12.93 O ATOM 40 CB ASP A 23 17.452 -20.687 19.454 1.00 14.47 C ATOM 41 CG ASP A 23 18.257 -21.211 20.640 1.00 19.66 C ATOM 42 OD1 ASP A 23 18.015 -22.361 21.092 1.00 23.16 O ATOM 43 OD2 ASP A 23 19.116 -20.439 21.143 1.00 27.29 O ATOM 0 H ASP A 23 18.715 -21.832 17.560 1.00 12.79 H new ATOM 0 HA ASP A 23 16.517 -22.486 19.000 1.00 13.45 H new ATOM 0 HB2 ASP A 23 17.993 -20.052 18.958 1.00 14.47 H new ATOM 0 HB3 ASP A 23 16.678 -20.204 19.784 1.00 14.47 H new ATOM 44 N LEU A 24 14.774 -21.453 17.573 1.00 12.19 N ATOM 45 CA LEU A 24 13.760 -20.896 16.648 1.00 12.98 C ATOM 46 C LEU A 24 12.710 -20.121 17.433 1.00 14.80 C ATOM 47 O LEU A 24 12.073 -20.671 18.331 1.00 16.90 O ATOM 48 CB LEU A 24 13.089 -22.017 15.833 1.00 13.62 C ATOM 49 CG LEU A 24 14.010 -22.918 15.024 1.00 12.89 C ATOM 50 CD1 LEU A 24 13.232 -24.110 14.458 1.00 13.34 C ATOM 51 CD2 LEU A 24 14.750 -22.135 13.898 1.00 12.92 C ATOM 0 H LEU A 24 14.449 -21.973 18.176 1.00 12.19 H new ATOM 0 HA LEU A 24 14.205 -20.295 16.031 1.00 12.98 H new ATOM 0 HB2 LEU A 24 12.581 -22.573 16.444 1.00 13.62 H new ATOM 0 HB3 LEU A 24 12.453 -21.610 15.225 1.00 13.62 H new ATOM 0 HG LEU A 24 14.693 -23.257 15.624 1.00 12.89 H new ATOM 0 HD11 LEU A 24 13.832 -24.674 13.945 1.00 13.34 H new ATOM 0 HD12 LEU A 24 12.850 -24.623 15.187 1.00 13.34 H new ATOM 0 HD13 LEU A 24 12.521 -23.788 13.882 1.00 13.34 H new ATOM 0 HD21 LEU A 24 15.325 -22.742 13.406 1.00 12.92 H new ATOM 0 HD22 LEU A 24 14.099 -21.746 13.293 1.00 12.92 H new ATOM 0 HD23 LEU A 24 15.286 -21.430 14.293 1.00 12.92 H new ATOM 52 N ASN A 25 12.514 -18.850 17.098 1.00 13.25 N ATOM 53 CA ASN A 25 11.455 -18.049 17.727 1.00 14.11 C ATOM 54 C ASN A 25 10.331 -17.924 16.727 1.00 14.55 C ATOM 55 O ASN A 25 10.586 -17.520 15.608 1.00 14.35 O ATOM 56 CB ASN A 25 11.983 -16.669 18.040 1.00 14.87 C ATOM 57 CG ASN A 25 12.715 -16.610 19.342 1.00 21.25 C ATOM 58 OD1 ASN A 25 13.927 -17.150 19.378 1.00 28.85 O flip ATOM 59 ND2 ASN A 25 12.179 -16.090 20.330 1.00 26.33 N flip ATOM 0 H ASN A 25 12.980 -18.429 16.510 1.00 13.25 H new ATOM 0 HA ASN A 25 11.152 -18.468 18.548 1.00 14.11 H new ATOM 0 HB2 ASN A 25 12.576 -16.385 17.327 1.00 14.87 H new ATOM 0 HB3 ASN A 25 11.244 -16.041 18.061 1.00 14.87 H new ATOM 0 HD21 ASN A 25 11.391 -15.751 20.263 1.00 26.33 H new ATOM 0 HD22 ASN A 25 12.594 -16.068 21.083 1.00 26.33 H new ATOM 60 N ILE A 26 9.115 -18.284 17.111 1.00 13.76 N ATOM 61 CA ILE A 26 8.006 -18.353 16.181 1.00 14.75 C ATOM 62 C ILE A 26 6.865 -17.438 16.644 1.00 14.40 C ATOM 63 O ILE A 26 6.635 -17.289 17.856 1.00 15.56 O ATOM 64 CB ILE A 26 7.505 -19.825 16.055 1.00 15.78 C ATOM 65 CG1 ILE A 26 6.437 -19.986 14.970 1.00 20.46 C ATOM 66 CG2 ILE A 26 6.981 -20.337 17.394 1.00 17.13 C ATOM 67 CD1 ILE A 26 5.996 -21.454 14.741 1.00 25.29 C ATOM 0 H ILE A 26 8.912 -18.495 17.920 1.00 13.76 H new ATOM 0 HA ILE A 26 8.308 -18.051 15.310 1.00 14.75 H new ATOM 0 HB ILE A 26 8.270 -20.359 15.790 1.00 15.78 H new ATOM 0 HG12 ILE A 26 5.660 -19.457 15.211 1.00 20.46 H new ATOM 0 HG13 ILE A 26 6.778 -19.625 14.136 1.00 20.46 H new ATOM 0 HG21 ILE A 26 6.675 -21.252 17.294 1.00 17.13 H new ATOM 0 HG22 ILE A 26 7.692 -20.305 18.054 1.00 17.13 H new ATOM 0 HG23 ILE A 26 6.243 -19.780 17.687 1.00 17.13 H new ATOM 0 HD11 ILE A 26 5.321 -21.485 14.045 1.00 25.29 H new ATOM 0 HD12 ILE A 26 6.762 -21.984 14.472 1.00 25.29 H new ATOM 0 HD13 ILE A 26 5.628 -21.813 15.563 1.00 25.29 H new ATOM 68 N THR A 27 6.177 -16.799 15.696 1.00 12.84 N ATOM 69 CA THR A 27 5.016 -15.960 16.024 1.00 12.96 C ATOM 70 C THR A 27 3.707 -16.750 16.035 1.00 12.63 C ATOM 71 O THR A 27 3.650 -17.929 15.617 1.00 13.63 O ATOM 72 CB THR A 27 4.860 -14.793 15.008 1.00 12.35 C ATOM 73 OG1 THR A 27 4.504 -15.335 13.714 1.00 13.08 O ATOM 74 CG2 THR A 27 6.135 -13.998 14.928 1.00 12.13 C ATOM 0 H THR A 27 6.364 -16.837 14.857 1.00 12.84 H new ATOM 0 HA THR A 27 5.186 -15.615 16.914 1.00 12.96 H new ATOM 0 HB THR A 27 4.156 -14.194 15.303 1.00 12.35 H new ATOM 0 HG1 THR A 27 3.678 -15.483 13.690 1.00 13.08 H new ATOM 0 HG21 THR A 27 6.026 -13.274 14.292 1.00 12.13 H new ATOM 0 HG22 THR A 27 6.344 -13.632 15.802 1.00 12.13 H new ATOM 0 HG23 THR A 27 6.859 -14.575 14.639 1.00 12.13 H new ATOM 75 N CYS A 28 2.639 -16.086 16.478 1.00 13.94 N ATOM 76 CA CYS A 28 1.293 -16.597 16.232 1.00 14.78 C ATOM 77 C CYS A 28 1.026 -16.658 14.721 1.00 14.90 C ATOM 78 O CYS A 28 1.753 -16.017 13.945 1.00 15.45 O ATOM 79 CB CYS A 28 0.274 -15.651 16.869 1.00 15.09 C ATOM 80 SG CYS A 28 0.523 -15.536 18.698 1.00 20.47 S ATOM 0 H CYS A 28 2.672 -15.347 16.917 1.00 13.94 H new ATOM 0 HA CYS A 28 1.215 -17.485 16.614 1.00 14.78 H new ATOM 0 HB2 CYS A 28 0.355 -14.769 16.473 1.00 15.09 H new ATOM 0 HB3 CYS A 28 -0.624 -15.965 16.681 1.00 15.09 H new ATOM 81 N ARG A 29 0.038 -17.447 14.313 1.00 14.84 N ATOM 82 CA ARG A 29 -0.327 -17.613 12.898 1.00 14.80 C ATOM 83 C ARG A 29 -1.483 -16.683 12.579 1.00 15.54 C ATOM 84 O ARG A 29 -2.438 -16.562 13.366 1.00 15.27 O ATOM 85 CB ARG A 29 -0.725 -19.058 12.573 1.00 15.55 C ATOM 86 CG ARG A 29 0.450 -20.005 12.281 1.00 15.04 C ATOM 87 CD ARG A 29 1.364 -20.236 13.492 1.00 14.56 C ATOM 88 NE ARG A 29 0.612 -20.970 14.508 1.00 17.48 N ATOM 89 CZ ARG A 29 0.860 -20.943 15.811 1.00 16.97 C ATOM 90 NH1 ARG A 29 1.848 -20.201 16.320 1.00 15.80 N ATOM 91 NH2 ARG A 29 0.079 -21.685 16.606 1.00 17.03 N ATOM 0 H ARG A 29 -0.448 -17.909 14.852 1.00 14.84 H new ATOM 0 HA ARG A 29 0.448 -17.396 12.357 1.00 14.80 H new ATOM 0 HB2 ARG A 29 -1.233 -19.415 13.318 1.00 15.55 H new ATOM 0 HB3 ARG A 29 -1.316 -19.051 11.804 1.00 15.55 H new ATOM 0 HG2 ARG A 29 0.101 -20.859 11.980 1.00 15.04 H new ATOM 0 HG3 ARG A 29 0.976 -19.641 11.552 1.00 15.04 H new ATOM 0 HD2 ARG A 29 2.152 -20.737 13.229 1.00 14.56 H new ATOM 0 HD3 ARG A 29 1.672 -19.388 13.848 1.00 14.56 H new ATOM 0 HE ARG A 29 -0.043 -21.458 14.240 1.00 17.48 H new ATOM 0 HH11 ARG A 29 2.341 -19.726 15.800 1.00 15.80 H new ATOM 0 HH12 ARG A 29 1.991 -20.199 17.168 1.00 15.80 H new ATOM 0 HH21 ARG A 29 -0.556 -22.156 16.267 1.00 17.03 H new ATOM 0 HH22 ARG A 29 0.212 -21.691 17.456 1.00 17.03 H new ATOM 92 N PHE A 30 -1.388 -16.004 11.440 1.00 13.75 N ATOM 93 CA PHE A 30 -2.457 -15.105 10.980 1.00 14.67 C ATOM 94 C PHE A 30 -2.842 -15.581 9.604 1.00 13.73 C ATOM 95 O PHE A 30 -2.028 -15.502 8.675 1.00 14.58 O ATOM 96 CB PHE A 30 -1.950 -13.670 10.877 1.00 13.83 C ATOM 97 CG PHE A 30 -1.738 -12.983 12.191 1.00 15.07 C ATOM 98 CD1 PHE A 30 -2.621 -12.001 12.629 1.00 16.83 C ATOM 99 CD2 PHE A 30 -0.626 -13.296 12.977 1.00 15.39 C ATOM 100 CE1 PHE A 30 -2.407 -11.333 13.844 1.00 17.30 C ATOM 101 CE2 PHE A 30 -0.406 -12.645 14.197 1.00 17.70 C ATOM 102 CZ PHE A 30 -1.308 -11.655 14.625 1.00 18.93 C ATOM 0 H PHE A 30 -0.710 -16.047 10.912 1.00 13.75 H new ATOM 0 HA PHE A 30 -3.203 -15.117 11.600 1.00 14.67 H new ATOM 0 HB2 PHE A 30 -1.112 -13.671 10.388 1.00 13.83 H new ATOM 0 HB3 PHE A 30 -2.583 -13.153 10.355 1.00 13.83 H new ATOM 0 HD1 PHE A 30 -3.362 -11.785 12.110 1.00 16.83 H new ATOM 0 HD2 PHE A 30 -0.025 -13.944 12.687 1.00 15.39 H new ATOM 0 HE1 PHE A 30 -3.001 -10.675 14.125 1.00 17.30 H new ATOM 0 HE2 PHE A 30 0.331 -12.866 14.720 1.00 17.70 H new ATOM 0 HZ PHE A 30 -1.167 -11.216 15.433 1.00 18.93 H new ATOM 103 N ALA A 31 -4.075 -16.083 9.455 1.00 14.79 N ATOM 104 CA ALA A 31 -4.455 -16.742 8.216 1.00 14.36 C ATOM 105 C ALA A 31 -3.399 -17.747 7.768 1.00 13.98 C ATOM 106 O ALA A 31 -3.056 -17.811 6.591 1.00 14.71 O ATOM 107 CB ALA A 31 -4.712 -15.678 7.086 1.00 14.99 C ATOM 0 H ALA A 31 -4.692 -16.050 10.053 1.00 14.79 H new ATOM 0 HA ALA A 31 -5.276 -17.231 8.382 1.00 14.36 H new ATOM 0 HB1 ALA A 31 -4.964 -16.131 6.266 1.00 14.99 H new ATOM 0 HB2 ALA A 31 -5.427 -15.082 7.359 1.00 14.99 H new ATOM 0 HB3 ALA A 31 -3.903 -15.164 6.935 1.00 14.99 H new ATOM 108 N GLY A 32 -2.836 -18.488 8.741 1.00 12.67 N ATOM 109 CA GLY A 32 -1.871 -19.545 8.448 1.00 12.78 C ATOM 110 C GLY A 32 -0.425 -19.085 8.355 1.00 12.15 C ATOM 111 O GLY A 32 0.478 -19.899 8.364 1.00 12.49 O ATOM 0 H GLY A 32 -3.006 -18.387 9.578 1.00 12.67 H new ATOM 0 HA2 GLY A 32 -1.937 -20.225 9.137 1.00 12.78 H new ATOM 0 HA3 GLY A 32 -2.117 -19.966 7.610 1.00 12.78 H new ATOM 112 N VAL A 33 -0.220 -17.775 8.240 1.00 12.51 N ATOM 113 CA VAL A 33 1.128 -17.249 8.067 1.00 11.68 C ATOM 114 C VAL A 33 1.799 -16.957 9.407 1.00 10.62 C ATOM 115 O VAL A 33 1.192 -16.377 10.296 1.00 10.61 O ATOM 116 CB VAL A 33 1.098 -15.948 7.206 1.00 11.95 C ATOM 117 CG1 VAL A 33 2.507 -15.360 7.071 1.00 11.28 C ATOM 118 CG2 VAL A 33 0.500 -16.275 5.830 1.00 13.09 C ATOM 0 H VAL A 33 -0.841 -17.181 8.259 1.00 12.51 H new ATOM 0 HA VAL A 33 1.646 -17.930 7.611 1.00 11.68 H new ATOM 0 HB VAL A 33 0.545 -15.280 7.641 1.00 11.95 H new ATOM 0 HG11 VAL A 33 2.471 -14.553 6.534 1.00 11.28 H new ATOM 0 HG12 VAL A 33 2.855 -15.147 7.951 1.00 11.28 H new ATOM 0 HG13 VAL A 33 3.088 -16.007 6.642 1.00 11.28 H new ATOM 0 HG21 VAL A 33 0.477 -15.471 5.287 1.00 13.09 H new ATOM 0 HG22 VAL A 33 1.046 -16.946 5.391 1.00 13.09 H new ATOM 0 HG23 VAL A 33 -0.402 -16.615 5.941 1.00 13.09 H new ATOM 119 N PHE A 34 3.075 -17.333 9.521 1.00 10.85 N ATOM 120 CA PHE A 34 3.856 -17.010 10.695 1.00 11.37 C ATOM 121 C PHE A 34 5.292 -16.677 10.328 1.00 10.86 C ATOM 122 O PHE A 34 5.743 -16.972 9.225 1.00 10.95 O ATOM 123 CB PHE A 34 3.824 -18.140 11.763 1.00 12.09 C ATOM 124 CG PHE A 34 4.264 -19.487 11.286 1.00 13.02 C ATOM 125 CD1 PHE A 34 5.480 -20.007 11.715 1.00 14.25 C ATOM 126 CD2 PHE A 34 3.439 -20.291 10.517 1.00 13.79 C ATOM 127 CE1 PHE A 34 5.897 -21.317 11.314 1.00 14.89 C ATOM 128 CE2 PHE A 34 3.836 -21.587 10.109 1.00 13.93 C ATOM 129 CZ PHE A 34 5.052 -22.098 10.519 1.00 14.92 C ATOM 0 H PHE A 34 3.501 -17.778 8.921 1.00 10.85 H new ATOM 0 HA PHE A 34 3.443 -16.226 11.088 1.00 11.37 H new ATOM 0 HB2 PHE A 34 4.388 -17.877 12.507 1.00 12.09 H new ATOM 0 HB3 PHE A 34 2.920 -18.215 12.106 1.00 12.09 H new ATOM 0 HD1 PHE A 34 6.028 -19.499 12.268 1.00 14.25 H new ATOM 0 HD2 PHE A 34 2.604 -19.971 10.262 1.00 13.79 H new ATOM 0 HE1 PHE A 34 6.725 -21.646 11.581 1.00 14.89 H new ATOM 0 HE2 PHE A 34 3.278 -22.094 9.565 1.00 13.93 H new ATOM 0 HZ PHE A 34 5.307 -22.956 10.268 1.00 14.92 H new ATOM 130 N HIS A 35 5.982 -16.055 11.268 1.00 10.67 N ATOM 131 CA HIS A 35 7.367 -15.659 11.115 1.00 9.67 C ATOM 132 C HIS A 35 8.221 -16.559 11.994 1.00 9.85 C ATOM 133 O HIS A 35 7.843 -16.852 13.128 1.00 11.41 O ATOM 134 CB HIS A 35 7.494 -14.199 11.550 1.00 10.24 C ATOM 135 CG HIS A 35 8.896 -13.719 11.767 1.00 10.58 C ATOM 136 ND1 HIS A 35 9.380 -13.391 13.019 1.00 12.82 N ATOM 137 CD2 HIS A 35 9.902 -13.461 10.893 1.00 12.14 C ATOM 138 CE1 HIS A 35 10.623 -12.948 12.902 1.00 12.85 C ATOM 139 NE2 HIS A 35 10.963 -12.986 11.622 1.00 12.14 N ATOM 0 H HIS A 35 5.648 -15.846 12.033 1.00 10.67 H new ATOM 0 HA HIS A 35 7.663 -15.744 10.195 1.00 9.67 H new ATOM 0 HB2 HIS A 35 7.076 -13.638 10.878 1.00 10.24 H new ATOM 0 HB3 HIS A 35 6.994 -14.077 12.372 1.00 10.24 H new ATOM 0 HD2 HIS A 35 9.877 -13.583 9.971 1.00 12.14 H new ATOM 0 HE1 HIS A 35 11.165 -12.659 13.600 1.00 12.85 H new ATOM 0 HE2 HIS A 35 11.725 -12.751 11.300 1.00 12.14 H new ATOM 140 N VAL A 36 9.344 -16.991 11.443 1.00 9.55 N ATOM 141 CA VAL A 36 10.350 -17.771 12.195 1.00 11.01 C ATOM 142 C VAL A 36 11.716 -17.078 12.100 1.00 10.30 C ATOM 143 O VAL A 36 12.202 -16.763 10.996 1.00 10.53 O ATOM 144 CB VAL A 36 10.469 -19.182 11.627 1.00 11.44 C ATOM 145 CG1 VAL A 36 11.446 -19.974 12.489 1.00 14.28 C ATOM 146 CG2 VAL A 36 9.099 -19.854 11.571 1.00 14.28 C ATOM 0 H VAL A 36 9.556 -16.846 10.622 1.00 9.55 H new ATOM 0 HA VAL A 36 10.067 -17.824 13.121 1.00 11.01 H new ATOM 0 HB VAL A 36 10.806 -19.147 10.718 1.00 11.44 H new ATOM 0 HG11 VAL A 36 11.531 -20.874 12.138 1.00 14.28 H new ATOM 0 HG12 VAL A 36 12.313 -19.540 12.478 1.00 14.28 H new ATOM 0 HG13 VAL A 36 11.116 -20.012 13.400 1.00 14.28 H new ATOM 0 HG21 VAL A 36 9.192 -20.749 11.208 1.00 14.28 H new ATOM 0 HG22 VAL A 36 8.727 -19.905 12.465 1.00 14.28 H new ATOM 0 HG23 VAL A 36 8.507 -19.335 11.004 1.00 14.28 H new ATOM 147 N GLU A 37 12.361 -16.838 13.253 1.00 10.12 N ATOM 148 CA GLU A 37 13.696 -16.252 13.287 1.00 9.42 C ATOM 149 C GLU A 37 14.596 -17.296 13.949 1.00 10.31 C ATOM 150 O GLU A 37 14.221 -17.832 15.030 1.00 10.54 O ATOM 151 CB GLU A 37 13.705 -14.934 14.093 1.00 9.58 C ATOM 152 CG GLU A 37 15.045 -14.264 14.203 1.00 10.74 C ATOM 153 CD GLU A 37 14.944 -12.906 14.858 1.00 12.46 C ATOM 154 OE1 GLU A 37 13.879 -12.265 14.672 1.00 16.05 O ATOM 155 OE2 GLU A 37 15.921 -12.489 15.511 1.00 13.92 O ATOM 0 H GLU A 37 12.033 -17.012 14.029 1.00 10.12 H new ATOM 0 HA GLU A 37 14.004 -16.030 12.394 1.00 9.42 H new ATOM 0 HB2 GLU A 37 13.082 -14.315 13.681 1.00 9.58 H new ATOM 0 HB3 GLU A 37 13.375 -15.115 14.987 1.00 9.58 H new ATOM 0 HG2 GLU A 37 15.646 -14.826 14.716 1.00 10.74 H new ATOM 0 HG3 GLU A 37 15.432 -14.168 13.319 1.00 10.74 H new ATOM 156 N LYS A 38 15.749 -17.536 13.345 1.00 9.65 N ATOM 157 CA LYS A 38 16.737 -18.507 13.847 1.00 10.67 C ATOM 158 C LYS A 38 17.848 -17.806 14.600 1.00 10.93 C ATOM 159 O LYS A 38 18.494 -16.869 14.109 1.00 11.61 O ATOM 160 CB LYS A 38 17.311 -19.289 12.663 1.00 10.52 C ATOM 161 CG LYS A 38 18.388 -20.280 13.062 1.00 11.08 C ATOM 162 CD LYS A 38 18.984 -20.909 11.803 1.00 12.24 C ATOM 163 CE LYS A 38 20.013 -21.982 12.180 1.00 15.41 C ATOM 164 NZ LYS A 38 20.727 -22.499 10.943 1.00 17.85 N ATOM 0 H LYS A 38 15.992 -17.139 12.622 1.00 9.65 H new ATOM 0 HA LYS A 38 16.300 -19.116 14.462 1.00 10.67 H new ATOM 0 HB2 LYS A 38 16.592 -19.764 12.219 1.00 10.52 H new ATOM 0 HB3 LYS A 38 17.678 -18.664 12.019 1.00 10.52 H new ATOM 0 HG2 LYS A 38 19.081 -19.833 13.572 1.00 11.08 H new ATOM 0 HG3 LYS A 38 18.014 -20.968 13.634 1.00 11.08 H new ATOM 0 HD2 LYS A 38 18.279 -21.303 11.266 1.00 12.24 H new ATOM 0 HD3 LYS A 38 19.405 -20.224 11.260 1.00 12.24 H new ATOM 0 HE2 LYS A 38 20.660 -21.613 12.802 1.00 15.41 H new ATOM 0 HE3 LYS A 38 19.570 -22.716 12.634 1.00 15.41 H new ATOM 0 HZ1 LYS A 38 21.256 -23.179 11.167 1.00 17.85 H new ATOM 0 HZ2 LYS A 38 20.126 -22.775 10.347 1.00 17.85 H new ATOM 0 HZ3 LYS A 38 21.218 -21.847 10.589 1.00 17.85 H new ATOM 165 N ASN A 39 18.096 -18.266 15.825 1.00 11.22 N ATOM 166 CA ASN A 39 19.276 -17.846 16.575 1.00 11.39 C ATOM 167 C ASN A 39 19.357 -16.353 16.896 1.00 10.93 C ATOM 168 O ASN A 39 20.441 -15.814 17.161 1.00 12.49 O ATOM 169 CB ASN A 39 20.572 -18.342 15.923 1.00 10.91 C ATOM 170 CG ASN A 39 20.713 -19.847 16.014 1.00 12.88 C ATOM 171 OD1 ASN A 39 20.150 -20.458 16.905 1.00 15.39 O ATOM 172 ND2 ASN A 39 21.491 -20.425 15.130 1.00 13.24 N ATOM 0 H ASN A 39 17.591 -18.824 16.240 1.00 11.22 H new ATOM 0 HA ASN A 39 19.170 -18.278 17.437 1.00 11.39 H new ATOM 0 HB2 ASN A 39 20.588 -18.072 14.991 1.00 10.91 H new ATOM 0 HB3 ASN A 39 21.332 -17.920 16.354 1.00 10.91 H new ATOM 0 HD21 ASN A 39 21.623 -21.274 15.163 1.00 13.24 H new ATOM 0 HD22 ASN A 39 21.869 -19.955 14.517 1.00 13.24 H new ATOM 173 N GLY A 40 18.193 -15.701 16.887 1.00 11.20 N ATOM 174 CA GLY A 40 18.113 -14.277 17.258 1.00 11.43 C ATOM 175 C GLY A 40 18.781 -13.312 16.306 1.00 12.01 C ATOM 176 O GLY A 40 19.054 -12.183 16.672 1.00 12.62 O ATOM 0 H GLY A 40 17.441 -16.058 16.671 1.00 11.20 H new ATOM 0 HA2 GLY A 40 17.178 -14.032 17.337 1.00 11.43 H new ATOM 0 HA3 GLY A 40 18.510 -14.166 18.136 1.00 11.43 H new ATOM 177 N ARG A 41 19.053 -13.745 15.084 1.00 12.10 N ATOM 178 CA ARG A 41 19.692 -12.863 14.105 1.00 11.70 C ATOM 179 C ARG A 41 19.334 -13.336 12.707 1.00 11.64 C ATOM 180 O ARG A 41 18.822 -14.440 12.541 1.00 12.54 O ATOM 181 CB ARG A 41 21.206 -12.816 14.284 1.00 13.18 C ATOM 182 CG ARG A 41 21.920 -14.119 14.103 1.00 17.27 C ATOM 183 CD ARG A 41 23.384 -13.854 14.439 1.00 25.61 C ATOM 184 NE ARG A 41 24.186 -15.057 14.308 1.00 31.89 N ATOM 185 CZ ARG A 41 24.449 -15.892 15.313 1.00 34.85 C ATOM 186 NH1 ARG A 41 25.200 -16.973 15.094 1.00 36.98 N ATOM 187 NH2 ARG A 41 23.977 -15.648 16.536 1.00 34.98 N ATOM 0 H ARG A 41 18.880 -14.537 14.798 1.00 12.10 H new ATOM 0 HA ARG A 41 19.364 -11.960 14.243 1.00 11.70 H new ATOM 0 HB2 ARG A 41 21.570 -12.176 13.653 1.00 13.18 H new ATOM 0 HB3 ARG A 41 21.400 -12.480 15.173 1.00 13.18 H new ATOM 0 HG2 ARG A 41 21.549 -14.801 14.685 1.00 17.27 H new ATOM 0 HG3 ARG A 41 21.827 -14.441 13.193 1.00 17.27 H new ATOM 0 HD2 ARG A 41 23.733 -13.166 13.851 1.00 25.61 H new ATOM 0 HD3 ARG A 41 23.453 -13.515 15.345 1.00 25.61 H new ATOM 0 HE ARG A 41 24.512 -15.242 13.534 1.00 31.89 H new ATOM 0 HH11 ARG A 41 25.512 -17.128 14.308 1.00 36.98 H new ATOM 0 HH12 ARG A 41 25.372 -17.515 15.739 1.00 36.98 H new ATOM 0 HH21 ARG A 41 23.499 -14.948 16.681 1.00 34.98 H new ATOM 0 HH22 ARG A 41 24.150 -16.191 17.180 1.00 34.98 H new ATOM 188 N TYR A 42 19.601 -12.509 11.697 1.00 11.02 N ATOM 189 CA TYR A 42 19.326 -12.973 10.338 1.00 10.68 C ATOM 190 C TYR A 42 20.271 -14.101 9.962 1.00 10.33 C ATOM 191 O TYR A 42 21.475 -13.887 9.866 1.00 12.83 O ATOM 192 CB TYR A 42 19.502 -11.822 9.345 1.00 9.94 C ATOM 193 CG TYR A 42 18.395 -10.788 9.399 1.00 9.83 C ATOM 194 CD1 TYR A 42 17.073 -11.153 9.132 1.00 9.78 C ATOM 195 CD2 TYR A 42 18.679 -9.445 9.645 1.00 9.58 C ATOM 196 CE1 TYR A 42 16.041 -10.209 9.134 1.00 9.09 C ATOM 197 CE2 TYR A 42 17.628 -8.479 9.660 1.00 9.94 C ATOM 198 CZ TYR A 42 16.334 -8.888 9.395 1.00 8.38 C ATOM 199 OH TYR A 42 15.304 -7.951 9.437 1.00 9.61 O ATOM 0 H TYR A 42 19.925 -11.715 11.768 1.00 11.02 H new ATOM 0 HA TYR A 42 18.412 -13.296 10.305 1.00 10.68 H new ATOM 0 HB2 TYR A 42 20.350 -11.384 9.518 1.00 9.94 H new ATOM 0 HB3 TYR A 42 19.549 -12.186 8.447 1.00 9.94 H new ATOM 0 HD1 TYR A 42 16.875 -12.043 8.949 1.00 9.78 H new ATOM 0 HD2 TYR A 42 19.556 -9.178 9.800 1.00 9.58 H new ATOM 0 HE1 TYR A 42 15.165 -10.470 8.961 1.00 9.09 H new ATOM 0 HE2 TYR A 42 17.811 -7.586 9.846 1.00 9.94 H new ATOM 0 HH TYR A 42 15.627 -7.177 9.397 1.00 9.61 H new ATOM 200 N SER A 43 19.731 -15.295 9.762 1.00 11.38 N ATOM 201 CA SER A 43 20.618 -16.474 9.597 1.00 11.09 C ATOM 202 C SER A 43 20.046 -17.595 8.730 1.00 11.16 C ATOM 203 O SER A 43 20.602 -18.705 8.705 1.00 12.58 O ATOM 204 CB SER A 43 21.006 -17.002 10.974 1.00 12.05 C ATOM 205 OG SER A 43 19.874 -17.464 11.654 1.00 14.40 O ATOM 0 H SER A 43 18.887 -15.456 9.717 1.00 11.38 H new ATOM 0 HA SER A 43 21.398 -16.163 9.111 1.00 11.09 H new ATOM 0 HB2 SER A 43 21.651 -17.720 10.882 1.00 12.05 H new ATOM 0 HB3 SER A 43 21.435 -16.300 11.487 1.00 12.05 H new ATOM 0 HG SER A 43 19.774 -17.024 12.363 1.00 14.40 H new ATOM 206 N ILE A 44 18.973 -17.312 7.998 1.00 10.52 N ATOM 207 CA ILE A 44 18.309 -18.342 7.194 1.00 10.62 C ATOM 208 C ILE A 44 18.490 -18.036 5.710 1.00 10.22 C ATOM 209 O ILE A 44 18.156 -16.935 5.269 1.00 12.09 O ATOM 210 CB ILE A 44 16.802 -18.401 7.509 1.00 10.72 C ATOM 211 CG1 ILE A 44 16.602 -18.677 9.016 1.00 10.61 C ATOM 212 CG2 ILE A 44 16.114 -19.500 6.690 1.00 11.53 C ATOM 213 CD1 ILE A 44 15.148 -18.605 9.492 1.00 11.08 C ATOM 0 H ILE A 44 18.612 -16.533 7.951 1.00 10.52 H new ATOM 0 HA ILE A 44 18.711 -19.198 7.411 1.00 10.62 H new ATOM 0 HB ILE A 44 16.404 -17.548 7.273 1.00 10.72 H new ATOM 0 HG12 ILE A 44 16.953 -19.558 9.221 1.00 10.61 H new ATOM 0 HG13 ILE A 44 17.127 -18.038 9.522 1.00 10.61 H new ATOM 0 HG21 ILE A 44 15.168 -19.519 6.904 1.00 11.53 H new ATOM 0 HG22 ILE A 44 16.228 -19.318 5.744 1.00 11.53 H new ATOM 0 HG23 ILE A 44 16.511 -20.359 6.903 1.00 11.53 H new ATOM 0 HD11 ILE A 44 15.109 -18.789 10.444 1.00 11.08 H new ATOM 0 HD12 ILE A 44 14.795 -17.718 9.320 1.00 11.08 H new ATOM 0 HD13 ILE A 44 14.618 -19.262 9.014 1.00 11.08 H new ATOM 214 N SER A 45 19.057 -18.979 4.979 1.00 11.22 N ATOM 215 CA SER A 45 19.199 -18.860 3.529 1.00 12.09 C ATOM 216 C SER A 45 17.888 -19.269 2.852 1.00 12.80 C ATOM 217 O SER A 45 16.971 -19.816 3.486 1.00 11.98 O ATOM 218 CB SER A 45 20.299 -19.813 3.061 1.00 11.62 C ATOM 219 OG SER A 45 19.834 -21.141 3.211 1.00 12.93 O ATOM 0 H SER A 45 19.373 -19.710 5.305 1.00 11.22 H new ATOM 0 HA SER A 45 19.419 -17.944 3.299 1.00 12.09 H new ATOM 0 HB2 SER A 45 20.526 -19.638 2.134 1.00 11.62 H new ATOM 0 HB3 SER A 45 21.107 -19.678 3.581 1.00 11.62 H new ATOM 0 HG SER A 45 20.488 -21.667 3.224 1.00 12.93 H new ATOM 220 N AARG A 46 17.782 -19.022 1.542 0.50 12.72 N ATOM 221 N BARG A 46 17.819 -19.026 1.542 0.50 12.66 N ATOM 222 CA AARG A 46 16.544 -19.368 0.836 0.50 13.75 C ATOM 223 CA BARG A 46 16.626 -19.354 0.776 0.50 13.71 C ATOM 224 C AARG A 46 16.250 -20.884 0.874 0.50 13.36 C ATOM 225 C BARG A 46 16.275 -20.856 0.865 0.50 13.36 C ATOM 226 O AARG A 46 15.096 -21.288 1.042 0.50 13.95 O ATOM 227 O BARG A 46 15.117 -21.221 1.072 0.50 13.87 O ATOM 228 CB AARG A 46 16.562 -18.839 -0.610 0.50 14.31 C ATOM 229 CB BARG A 46 16.820 -18.906 -0.682 0.50 14.12 C ATOM 230 CG AARG A 46 15.304 -19.189 -1.410 0.50 17.70 C ATOM 231 CG BARG A 46 15.529 -18.512 -1.364 0.50 17.24 C ATOM 232 CD AARG A 46 15.388 -18.715 -2.869 0.50 21.35 C ATOM 233 CD BARG A 46 15.758 -17.729 -2.666 0.50 19.33 C ATOM 234 NE AARG A 46 16.695 -19.009 -3.462 0.50 25.32 N ATOM 235 NE BARG A 46 14.671 -16.778 -2.868 0.50 24.19 N ATOM 236 CZ AARG A 46 17.550 -18.079 -3.879 0.50 27.14 C ATOM 237 CZ BARG A 46 14.841 -15.471 -3.031 0.50 24.30 C ATOM 238 NH1AARG A 46 17.231 -16.795 -3.788 0.50 29.13 N ATOM 239 NH1BARG A 46 16.068 -14.958 -3.066 0.50 24.74 N ATOM 240 NH2AARG A 46 18.720 -18.433 -4.398 0.50 27.82 N ATOM 241 NH2BARG A 46 13.784 -14.685 -3.190 0.50 23.57 N ATOM 0 H AARG A 46 18.396 -18.665 1.056 0.50 12.66 H new ATOM 0 H BARG A 46 18.454 -18.672 1.082 0.50 12.66 H new ATOM 0 HA AARG A 46 15.819 -18.930 1.308 0.50 13.71 H new ATOM 0 HA BARG A 46 15.873 -18.877 1.158 0.50 13.71 H new ATOM 0 HB2AARG A 46 16.666 -17.875 -0.592 0.50 14.12 H new ATOM 0 HB2BARG A 46 17.432 -18.154 -0.704 0.50 14.12 H new ATOM 0 HB3AARG A 46 17.337 -19.199 -1.068 0.50 14.12 H new ATOM 0 HB3BARG A 46 17.236 -19.625 -1.182 0.50 14.12 H new ATOM 0 HG2AARG A 46 15.169 -20.149 -1.392 0.50 17.24 H new ATOM 0 HG2BARG A 46 15.014 -19.311 -1.558 0.50 17.24 H new ATOM 0 HG3AARG A 46 14.531 -18.786 -0.985 0.50 17.24 H new ATOM 0 HG3BARG A 46 14.999 -17.973 -0.756 0.50 17.24 H new ATOM 0 HD2AARG A 46 14.692 -19.146 -3.390 0.50 19.33 H new ATOM 0 HD2BARG A 46 16.606 -17.260 -2.626 0.50 19.33 H new ATOM 0 HD3AARG A 46 15.222 -17.760 -2.909 0.50 19.33 H new ATOM 0 HD3BARG A 46 15.807 -18.341 -3.417 0.50 19.33 H new ATOM 0 HE AARG A 46 16.924 -19.834 -3.546 0.50 24.19 H new ATOM 0 HE BARG A 46 13.867 -17.084 -2.883 0.50 24.19 H new ATOM 0 HH11AARG A 46 16.471 -16.563 -3.459 0.50 24.74 H new ATOM 0 HH11BARG A 46 16.752 -15.473 -2.983 0.50 24.74 H new ATOM 0 HH12AARG A 46 17.784 -16.194 -4.058 0.50 24.74 H new ATOM 0 HH12BARG A 46 16.177 -14.112 -3.172 0.50 24.74 H new ATOM 0 HH21AARG A 46 18.926 -19.265 -4.465 0.50 23.57 H new ATOM 0 HH21BARG A 46 12.993 -15.022 -3.187 0.50 23.57 H new ATOM 0 HH22AARG A 46 19.271 -17.830 -4.667 0.50 23.57 H new ATOM 0 HH22BARG A 46 13.890 -13.838 -3.296 0.50 23.57 H new ATOM 242 N THR A 47 17.296 -21.700 0.732 1.00 14.20 N ATOM 243 CA THR A 47 17.124 -23.149 0.775 1.00 13.75 C ATOM 244 C THR A 47 16.757 -23.597 2.195 1.00 13.01 C ATOM 245 O THR A 47 15.852 -24.424 2.370 1.00 14.16 O ATOM 246 CB THR A 47 18.327 -23.916 0.228 1.00 14.74 C ATOM 247 OG1 THR A 47 19.537 -23.470 0.830 1.00 15.05 O ATOM 248 CG2 THR A 47 18.431 -23.718 -1.298 1.00 14.85 C ATOM 0 H ATHR A 47 18.105 -21.436 0.611 0.50 14.20 H new ATOM 0 H BTHR A 47 18.109 -21.447 0.614 0.50 14.20 H new ATOM 0 HA THR A 47 16.389 -23.368 0.181 1.00 13.75 H new ATOM 0 HB THR A 47 18.197 -24.855 0.435 1.00 14.74 H new ATOM 0 HG1 THR A 47 19.645 -23.861 1.566 1.00 15.05 H new ATOM 0 HG21 THR A 47 19.197 -24.208 -1.637 1.00 14.85 H new ATOM 0 HG22 THR A 47 17.623 -24.047 -1.723 1.00 14.85 H new ATOM 0 HG23 THR A 47 18.538 -22.774 -1.495 1.00 14.85 H new ATOM 249 N GLU A 48 17.409 -22.983 3.185 1.00 12.70 N ATOM 250 CA GLU A 48 17.069 -23.344 4.576 1.00 12.21 C ATOM 251 C GLU A 48 15.628 -22.959 4.900 1.00 12.31 C ATOM 252 O GLU A 48 14.906 -23.700 5.583 1.00 12.17 O ATOM 253 CB GLU A 48 18.061 -22.738 5.574 1.00 11.48 C ATOM 254 CG GLU A 48 17.766 -23.191 6.997 1.00 11.90 C ATOM 255 CD GLU A 48 18.924 -23.035 7.948 1.00 15.15 C ATOM 256 OE1 GLU A 48 20.067 -22.775 7.516 1.00 19.04 O ATOM 257 OE2 GLU A 48 18.692 -23.202 9.159 1.00 13.57 O ATOM 0 H GLU A 48 18.020 -22.386 3.089 1.00 12.70 H new ATOM 0 HA GLU A 48 17.141 -24.308 4.661 1.00 12.21 H new ATOM 0 HB2 GLU A 48 18.964 -22.996 5.332 1.00 11.48 H new ATOM 0 HB3 GLU A 48 18.020 -21.770 5.526 1.00 11.48 H new ATOM 0 HG2 GLU A 48 17.011 -22.685 7.337 1.00 11.90 H new ATOM 0 HG3 GLU A 48 17.498 -24.123 6.980 1.00 11.90 H new ATOM 258 N ALA A 49 15.193 -21.801 4.383 1.00 11.71 N ATOM 259 CA ALA A 49 13.840 -21.311 4.637 1.00 11.32 C ATOM 260 C ALA A 49 12.783 -22.326 4.181 1.00 11.61 C ATOM 261 O ALA A 49 11.863 -22.649 4.927 1.00 12.34 O ATOM 262 CB ALA A 49 13.637 -19.953 3.947 1.00 11.18 C ATOM 0 H ALA A 49 15.670 -21.288 3.883 1.00 11.71 H new ATOM 0 HA ALA A 49 13.731 -21.194 5.594 1.00 11.32 H new ATOM 0 HB1 ALA A 49 12.738 -19.633 4.119 1.00 11.18 H new ATOM 0 HB2 ALA A 49 14.279 -19.314 4.295 1.00 11.18 H new ATOM 0 HB3 ALA A 49 13.766 -20.053 2.991 1.00 11.18 H new ATOM 263 N ALA A 50 12.918 -22.822 2.946 1.00 12.14 N ATOM 264 CA ALA A 50 11.971 -23.800 2.417 1.00 13.50 C ATOM 265 C ALA A 50 11.930 -25.065 3.263 1.00 13.29 C ATOM 266 O ALA A 50 10.853 -25.556 3.576 1.00 14.72 O ATOM 267 CB ALA A 50 12.324 -24.133 0.978 1.00 14.14 C ATOM 0 H ALA A 50 13.549 -22.604 2.404 1.00 12.14 H new ATOM 0 HA ALA A 50 11.085 -23.405 2.448 1.00 13.50 H new ATOM 0 HB1 ALA A 50 11.692 -24.783 0.632 1.00 14.14 H new ATOM 0 HB2 ALA A 50 12.285 -23.327 0.440 1.00 14.14 H new ATOM 0 HB3 ALA A 50 13.220 -24.503 0.942 1.00 14.14 H new ATOM 268 N ASP A 51 13.106 -25.524 3.667 1.00 13.72 N ATOM 269 CA ASP A 51 13.208 -26.718 4.546 1.00 13.75 C ATOM 270 C ASP A 51 12.625 -26.518 5.938 1.00 13.79 C ATOM 271 O ASP A 51 11.949 -27.412 6.481 1.00 13.83 O ATOM 272 CB ASP A 51 14.651 -27.177 4.636 1.00 14.43 C ATOM 273 CG ASP A 51 15.131 -27.850 3.365 1.00 16.59 C ATOM 274 OD1 ASP A 51 14.276 -28.243 2.530 1.00 23.81 O ATOM 275 OD2 ASP A 51 16.354 -27.961 3.208 1.00 19.09 O ATOM 0 H ASP A 51 13.861 -25.172 3.453 1.00 13.72 H new ATOM 0 HA ASP A 51 12.665 -27.406 4.130 1.00 13.75 H new ATOM 0 HB2 ASP A 51 15.218 -26.414 4.827 1.00 14.43 H new ATOM 0 HB3 ASP A 51 14.745 -27.793 5.379 1.00 14.43 H new ATOM 276 N LEU A 52 12.837 -25.339 6.508 1.00 13.06 N ATOM 277 CA LEU A 52 12.278 -25.033 7.803 1.00 14.05 C ATOM 278 C LEU A 52 10.746 -25.044 7.742 1.00 14.00 C ATOM 279 O LEU A 52 10.076 -25.641 8.591 1.00 13.65 O ATOM 280 CB LEU A 52 12.825 -23.682 8.295 1.00 14.47 C ATOM 281 CG LEU A 52 12.475 -23.268 9.721 1.00 16.54 C ATOM 282 CD1 LEU A 52 12.822 -24.400 10.671 1.00 17.42 C ATOM 283 CD2 LEU A 52 13.251 -22.011 10.078 1.00 18.11 C ATOM 0 H LEU A 52 13.302 -24.707 6.157 1.00 13.06 H new ATOM 0 HA LEU A 52 12.543 -25.714 8.441 1.00 14.05 H new ATOM 0 HB2 LEU A 52 13.792 -23.702 8.216 1.00 14.47 H new ATOM 0 HB3 LEU A 52 12.505 -22.991 7.694 1.00 14.47 H new ATOM 0 HG LEU A 52 11.526 -23.082 9.794 1.00 16.54 H new ATOM 0 HD11 LEU A 52 12.601 -24.140 11.579 1.00 17.42 H new ATOM 0 HD12 LEU A 52 12.316 -25.192 10.429 1.00 17.42 H new ATOM 0 HD13 LEU A 52 13.771 -24.592 10.612 1.00 17.42 H new ATOM 0 HD21 LEU A 52 13.033 -21.742 10.984 1.00 18.11 H new ATOM 0 HD22 LEU A 52 14.202 -22.189 10.014 1.00 18.11 H new ATOM 0 HD23 LEU A 52 13.014 -21.299 9.464 1.00 18.11 H new ATOM 284 N CYS A 53 10.162 -24.404 6.719 1.00 14.24 N ATOM 285 CA CYS A 53 8.729 -24.429 6.577 1.00 14.19 C ATOM 286 C CYS A 53 8.214 -25.859 6.399 1.00 13.34 C ATOM 287 O CYS A 53 7.229 -26.223 7.036 1.00 13.95 O ATOM 288 CB CYS A 53 8.251 -23.551 5.413 1.00 14.53 C ATOM 289 SG CYS A 53 8.560 -21.780 5.672 1.00 16.19 S ATOM 0 H CYS A 53 10.582 -23.961 6.114 1.00 14.24 H new ATOM 0 HA CYS A 53 8.362 -24.064 7.398 1.00 14.19 H new ATOM 0 HB2 CYS A 53 8.696 -23.834 4.599 1.00 14.53 H new ATOM 0 HB3 CYS A 53 7.300 -23.691 5.280 1.00 14.53 H new ATOM 290 N LYS A 54 8.914 -26.656 5.597 1.00 13.71 N ATOM 291 CA LYS A 54 8.536 -28.060 5.397 1.00 14.16 C ATOM 292 C LYS A 54 8.533 -28.819 6.733 1.00 14.39 C ATOM 293 O LYS A 54 7.640 -29.623 6.994 1.00 13.70 O ATOM 294 CB LYS A 54 9.444 -28.733 4.372 1.00 14.15 C ATOM 295 CG LYS A 54 9.065 -30.212 4.099 1.00 19.18 C ATOM 296 CD LYS A 54 9.655 -30.734 2.797 1.00 27.22 C ATOM 297 CE LYS A 54 11.182 -30.622 2.757 1.00 32.12 C ATOM 298 NZ LYS A 54 11.793 -31.122 1.477 1.00 36.02 N ATOM 0 H LYS A 54 9.611 -26.407 5.158 1.00 13.71 H new ATOM 0 HA LYS A 54 7.633 -28.083 5.043 1.00 14.16 H new ATOM 0 HB2 LYS A 54 9.406 -28.236 3.540 1.00 14.15 H new ATOM 0 HB3 LYS A 54 10.361 -28.693 4.685 1.00 14.15 H new ATOM 0 HG2 LYS A 54 9.374 -30.763 4.835 1.00 19.18 H new ATOM 0 HG3 LYS A 54 8.099 -30.295 4.069 1.00 19.18 H new ATOM 0 HD2 LYS A 54 9.399 -31.662 2.679 1.00 27.22 H new ATOM 0 HD3 LYS A 54 9.278 -30.239 2.053 1.00 27.22 H new ATOM 0 HE2 LYS A 54 11.433 -29.694 2.885 1.00 32.12 H new ATOM 0 HE3 LYS A 54 11.554 -31.122 3.500 1.00 32.12 H new ATOM 0 HZ1 LYS A 54 12.678 -31.031 1.515 1.00 36.02 H new ATOM 0 HZ2 LYS A 54 11.588 -31.981 1.366 1.00 36.02 H new ATOM 0 HZ3 LYS A 54 11.476 -30.650 0.792 1.00 36.02 H new ATOM 299 N ALA A 55 9.523 -28.538 7.582 1.00 14.22 N ATOM 300 CA ALA A 55 9.567 -29.204 8.903 1.00 13.93 C ATOM 301 C ALA A 55 8.401 -28.797 9.820 1.00 14.48 C ATOM 302 O ALA A 55 8.045 -29.518 10.754 1.00 14.86 O ATOM 303 CB ALA A 55 10.917 -28.960 9.565 1.00 14.12 C ATOM 0 H ALA A 55 10.163 -27.985 7.427 1.00 14.22 H new ATOM 0 HA ALA A 55 9.460 -30.156 8.753 1.00 13.93 H new ATOM 0 HB1 ALA A 55 10.938 -29.399 10.430 1.00 14.12 H new ATOM 0 HB2 ALA A 55 11.622 -29.318 9.004 1.00 14.12 H new ATOM 0 HB3 ALA A 55 11.052 -28.007 9.684 1.00 14.12 H new ATOM 304 N PHE A 56 7.799 -27.632 9.569 1.00 13.98 N ATOM 305 CA PHE A 56 6.566 -27.226 10.230 1.00 14.92 C ATOM 306 C PHE A 56 5.284 -27.641 9.477 1.00 15.04 C ATOM 307 O PHE A 56 4.229 -27.090 9.737 1.00 16.74 O ATOM 308 CB PHE A 56 6.539 -25.702 10.439 1.00 15.70 C ATOM 309 CG PHE A 56 7.402 -25.213 11.567 1.00 16.15 C ATOM 310 CD1 PHE A 56 7.064 -25.492 12.904 1.00 17.32 C ATOM 311 CD2 PHE A 56 8.528 -24.444 11.304 1.00 17.13 C ATOM 312 CE1 PHE A 56 7.871 -25.023 13.947 1.00 16.88 C ATOM 313 CE2 PHE A 56 9.326 -23.966 12.326 1.00 16.24 C ATOM 314 CZ PHE A 56 8.988 -24.255 13.666 1.00 18.82 C ATOM 0 H PHE A 56 8.100 -27.055 9.007 1.00 13.98 H new ATOM 0 HA PHE A 56 6.568 -27.693 11.080 1.00 14.92 H new ATOM 0 HB2 PHE A 56 6.823 -25.269 9.619 1.00 15.70 H new ATOM 0 HB3 PHE A 56 5.624 -25.426 10.604 1.00 15.70 H new ATOM 0 HD1 PHE A 56 6.302 -25.990 13.095 1.00 17.32 H new ATOM 0 HD2 PHE A 56 8.749 -24.247 10.423 1.00 17.13 H new ATOM 0 HE1 PHE A 56 7.657 -25.227 14.829 1.00 16.88 H new ATOM 0 HE2 PHE A 56 10.080 -23.458 12.132 1.00 16.24 H new ATOM 0 HZ PHE A 56 9.515 -23.930 14.359 1.00 18.82 H new ATOM 315 N AASN A 57 5.398 -28.623 8.575 0.50 15.25 N ATOM 316 N BASN A 57 5.410 -28.589 8.549 0.50 15.50 N ATOM 317 CA AASN A 57 4.298 -29.026 7.677 0.50 15.18 C ATOM 318 CA BASN A 57 4.291 -29.021 7.711 0.50 15.74 C ATOM 319 C AASN A 57 3.673 -27.782 7.061 0.50 15.07 C ATOM 320 C BASN A 57 3.687 -27.849 6.945 0.50 15.47 C ATOM 321 O AASN A 57 2.448 -27.602 7.065 0.50 14.71 O ATOM 322 O BASN A 57 2.481 -27.800 6.709 0.50 15.59 O ATOM 323 CB AASN A 57 3.230 -29.847 8.413 0.50 15.91 C ATOM 324 CB BASN A 57 3.201 -29.685 8.556 0.50 16.44 C ATOM 325 CG AASN A 57 3.705 -31.245 8.774 0.50 15.47 C ATOM 326 CG BASN A 57 2.340 -30.594 7.737 0.50 17.48 C ATOM 327 OD1AASN A 57 4.350 -31.933 7.836 0.50 19.22 O flip ATOM 328 OD1BASN A 57 2.959 -31.269 6.776 0.50 21.81 O flip ATOM 329 ND2AASN A 57 3.487 -31.696 9.897 0.50 16.01 N flip ATOM 330 ND2BASN A 57 1.128 -30.678 7.938 0.50 20.02 N flip ATOM 0 H AASN A 57 6.119 -29.079 8.464 0.50 15.50 H new ATOM 0 H BASN A 57 6.148 -29.000 8.387 0.50 15.50 H new ATOM 0 HA AASN A 57 4.666 -29.592 6.981 0.50 15.74 H new ATOM 0 HA BASN A 57 4.642 -29.664 7.075 0.50 15.74 H new ATOM 0 HB2AASN A 57 2.970 -29.380 9.222 0.50 16.44 H new ATOM 0 HB2BASN A 57 3.612 -30.190 9.275 0.50 16.44 H new ATOM 0 HB3AASN A 57 2.438 -29.913 7.856 0.50 16.44 H new ATOM 0 HB3BASN A 57 2.650 -29.001 8.968 0.50 16.44 H new ATOM 0 HD21AASN A 57 3.066 -31.220 10.477 0.50 20.02 H new ATOM 0 HD21BASN A 57 0.765 -30.224 8.571 0.50 20.02 H new ATOM 0 HD22AASN A 57 3.755 -32.487 10.102 0.50 20.02 H new ATOM 0 HD22BASN A 57 0.645 -31.191 7.445 0.50 20.02 H new ATOM 331 N SER A 58 4.553 -26.913 6.574 1.00 14.71 N ATOM 332 CA SER A 58 4.163 -25.630 5.998 1.00 13.95 C ATOM 333 C SER A 58 4.939 -25.379 4.709 1.00 13.73 C ATOM 334 O SER A 58 5.778 -26.166 4.315 1.00 14.96 O ATOM 335 CB SER A 58 4.425 -24.525 7.021 1.00 14.15 C ATOM 336 OG SER A 58 3.617 -24.683 8.184 1.00 15.65 O ATOM 0 H ASER A 58 5.402 -27.053 6.569 0.50 14.71 H new ATOM 0 H BSER A 58 5.404 -27.008 6.652 0.50 14.71 H new ATOM 0 HA SER A 58 3.218 -25.638 5.780 1.00 13.95 H new ATOM 0 HB2 SER A 58 5.362 -24.533 7.274 1.00 14.15 H new ATOM 0 HB3 SER A 58 4.247 -23.661 6.618 1.00 14.15 H new ATOM 0 HG SER A 58 3.847 -25.380 8.592 1.00 15.65 H new ATOM 337 N THR A 59 4.611 -24.274 4.038 1.00 14.49 N ATOM 338 CA THR A 59 5.244 -23.878 2.788 1.00 13.41 C ATOM 339 C THR A 59 5.604 -22.397 2.894 1.00 12.44 C ATOM 340 O THR A 59 5.051 -21.666 3.716 1.00 12.62 O ATOM 341 CB THR A 59 4.254 -24.051 1.588 1.00 13.34 C ATOM 342 OG1 THR A 59 2.989 -23.470 1.946 1.00 15.22 O ATOM 343 CG2 THR A 59 4.075 -25.521 1.282 1.00 13.66 C ATOM 0 H THR A 59 4.003 -23.727 4.304 1.00 14.49 H new ATOM 0 HA THR A 59 6.027 -24.430 2.636 1.00 13.41 H new ATOM 0 HB THR A 59 4.608 -23.608 0.801 1.00 13.34 H new ATOM 0 HG1 THR A 59 2.848 -22.791 1.472 1.00 15.22 H new ATOM 0 HG21 THR A 59 3.461 -25.624 0.538 1.00 13.66 H new ATOM 0 HG22 THR A 59 4.933 -25.910 1.049 1.00 13.66 H new ATOM 0 HG23 THR A 59 3.716 -25.973 2.062 1.00 13.66 H new ATOM 344 N LEU A 60 6.521 -21.945 2.049 1.00 13.08 N ATOM 345 CA LEU A 60 6.784 -20.507 1.946 1.00 12.18 C ATOM 346 C LEU A 60 5.480 -19.829 1.506 1.00 12.77 C ATOM 347 O LEU A 60 4.856 -20.287 0.540 1.00 13.30 O ATOM 348 CB LEU A 60 7.883 -20.235 0.908 1.00 12.08 C ATOM 349 CG LEU A 60 9.312 -20.627 1.276 1.00 12.13 C ATOM 350 CD1 LEU A 60 10.241 -20.464 0.074 1.00 14.59 C ATOM 351 CD2 LEU A 60 9.811 -19.868 2.507 1.00 14.48 C ATOM 0 H LEU A 60 6.997 -22.441 1.532 1.00 13.08 H new ATOM 0 HA LEU A 60 7.085 -20.160 2.801 1.00 12.18 H new ATOM 0 HB2 LEU A 60 7.645 -20.701 0.091 1.00 12.08 H new ATOM 0 HB3 LEU A 60 7.875 -19.286 0.705 1.00 12.08 H new ATOM 0 HG LEU A 60 9.314 -21.566 1.520 1.00 12.13 H new ATOM 0 HD11 LEU A 60 11.143 -20.717 0.325 1.00 14.59 H new ATOM 0 HD12 LEU A 60 9.936 -21.033 -0.650 1.00 14.59 H new ATOM 0 HD13 LEU A 60 10.234 -19.539 -0.217 1.00 14.59 H new ATOM 0 HD21 LEU A 60 10.719 -20.142 2.710 1.00 14.48 H new ATOM 0 HD22 LEU A 60 9.794 -18.915 2.329 1.00 14.48 H new ATOM 0 HD23 LEU A 60 9.237 -20.065 3.264 1.00 14.48 H new ATOM 352 N PRO A 61 5.045 -18.771 2.198 1.00 11.92 N ATOM 353 CA PRO A 61 3.775 -18.113 1.778 1.00 11.65 C ATOM 354 C PRO A 61 3.879 -17.507 0.388 1.00 11.90 C ATOM 355 O PRO A 61 4.928 -17.057 -0.027 1.00 12.19 O ATOM 356 CB PRO A 61 3.597 -16.986 2.775 1.00 12.69 C ATOM 357 CG PRO A 61 4.502 -17.426 3.968 1.00 10.66 C ATOM 358 CD PRO A 61 5.661 -18.086 3.353 1.00 11.44 C ATOM 0 HA PRO A 61 3.045 -18.751 1.755 1.00 11.65 H new ATOM 0 HB2 PRO A 61 3.877 -16.133 2.407 1.00 12.69 H new ATOM 0 HB3 PRO A 61 2.670 -16.888 3.044 1.00 12.69 H new ATOM 0 HG2 PRO A 61 4.776 -16.662 4.500 1.00 10.66 H new ATOM 0 HG3 PRO A 61 4.029 -18.030 4.562 1.00 10.66 H new ATOM 0 HD2 PRO A 61 6.339 -17.449 3.078 1.00 11.44 H new ATOM 0 HD3 PRO A 61 6.088 -18.710 3.960 1.00 11.44 H new ATOM 359 N THR A 62 2.776 -17.516 -0.329 1.00 12.83 N ATOM 360 CA THR A 62 2.757 -16.698 -1.525 1.00 12.70 C ATOM 361 C THR A 62 2.536 -15.246 -1.137 1.00 12.83 C ATOM 362 O THR A 62 2.104 -14.906 -0.014 1.00 12.33 O ATOM 363 CB THR A 62 1.633 -17.140 -2.451 1.00 12.88 C ATOM 364 OG1 THR A 62 0.394 -16.842 -1.819 1.00 14.20 O ATOM 365 CG2 THR A 62 1.737 -18.628 -2.741 1.00 14.31 C ATOM 0 H THR A 62 2.061 -17.962 -0.157 1.00 12.83 H new ATOM 0 HA THR A 62 3.605 -16.796 -1.985 1.00 12.70 H new ATOM 0 HB THR A 62 1.696 -16.670 -3.297 1.00 12.88 H new ATOM 0 HG1 THR A 62 -0.009 -16.250 -2.257 1.00 14.20 H new ATOM 0 HG21 THR A 62 1.015 -18.894 -3.331 1.00 14.31 H new ATOM 0 HG22 THR A 62 2.588 -18.816 -3.167 1.00 14.31 H new ATOM 0 HG23 THR A 62 1.674 -19.125 -1.910 1.00 14.31 H new ATOM 366 N MET A 63 2.763 -14.351 -2.099 1.00 12.02 N ATOM 367 CA MET A 63 2.467 -12.958 -1.856 1.00 13.06 C ATOM 368 C MET A 63 1.008 -12.786 -1.480 1.00 12.05 C ATOM 369 O MET A 63 0.672 -12.019 -0.577 1.00 12.23 O ATOM 370 CB MET A 63 2.779 -12.183 -3.130 1.00 13.31 C ATOM 371 CG MET A 63 2.448 -10.725 -3.074 1.00 15.76 C ATOM 372 SD MET A 63 3.271 -9.838 -1.733 1.00 25.61 S ATOM 373 CE MET A 63 4.835 -10.116 -2.134 1.00 11.13 C ATOM 0 H MET A 63 3.080 -14.532 -2.878 1.00 12.02 H new ATOM 0 HA MET A 63 3.004 -12.625 -1.120 1.00 13.06 H new ATOM 0 HB2 MET A 63 3.723 -12.280 -3.330 1.00 13.31 H new ATOM 0 HB3 MET A 63 2.291 -12.585 -3.866 1.00 13.31 H new ATOM 0 HG2 MET A 63 2.691 -10.315 -3.919 1.00 15.76 H new ATOM 0 HG3 MET A 63 1.488 -10.624 -2.976 1.00 15.76 H new ATOM 0 HE1 MET A 63 5.415 -9.612 -1.543 1.00 11.13 H new ATOM 0 HE2 MET A 63 5.028 -11.062 -2.046 1.00 11.13 H new ATOM 0 HE3 MET A 63 4.988 -9.839 -3.051 1.00 11.13 H new ATOM 374 N ALA A 64 0.119 -13.500 -2.174 1.00 12.99 N ATOM 375 CA ALA A 64 -1.283 -13.375 -1.839 1.00 13.08 C ATOM 376 C ALA A 64 -1.597 -13.819 -0.398 1.00 13.14 C ATOM 377 O ALA A 64 -2.399 -13.186 0.315 1.00 13.43 O ATOM 378 CB ALA A 64 -2.149 -14.132 -2.847 1.00 13.75 C ATOM 0 H ALA A 64 0.304 -14.040 -2.817 1.00 12.99 H new ATOM 0 HA ALA A 64 -1.499 -12.431 -1.888 1.00 13.08 H new ATOM 0 HB1 ALA A 64 -3.084 -14.037 -2.606 1.00 13.75 H new ATOM 0 HB2 ALA A 64 -2.005 -13.768 -3.735 1.00 13.75 H new ATOM 0 HB3 ALA A 64 -1.908 -15.071 -2.840 1.00 13.75 H new ATOM 379 N GLN A 65 -0.928 -14.883 0.043 1.00 12.67 N ATOM 380 CA GLN A 65 -1.111 -15.326 1.433 1.00 12.09 C ATOM 381 C GLN A 65 -0.601 -14.310 2.434 1.00 11.78 C ATOM 382 O GLN A 65 -1.219 -14.101 3.505 1.00 11.88 O ATOM 383 CB GLN A 65 -0.449 -16.670 1.652 1.00 11.57 C ATOM 384 CG GLN A 65 -1.202 -17.780 0.924 1.00 12.27 C ATOM 385 CD GLN A 65 -0.459 -19.098 0.841 1.00 12.34 C ATOM 386 OE1 GLN A 65 0.764 -19.153 0.897 1.00 13.68 O ATOM 387 NE2 GLN A 65 -1.206 -20.157 0.638 1.00 13.88 N ATOM 0 H GLN A 65 -0.380 -15.352 -0.425 1.00 12.67 H new ATOM 0 HA GLN A 65 -2.065 -15.416 1.582 1.00 12.09 H new ATOM 0 HB2 GLN A 65 0.468 -16.637 1.337 1.00 11.57 H new ATOM 0 HB3 GLN A 65 -0.416 -16.867 2.601 1.00 11.57 H new ATOM 0 HG2 GLN A 65 -2.049 -17.928 1.373 1.00 12.27 H new ATOM 0 HG3 GLN A 65 -1.406 -17.480 0.024 1.00 12.27 H new ATOM 0 HE21 GLN A 65 -2.062 -20.080 0.605 1.00 13.88 H new ATOM 0 HE22 GLN A 65 -0.840 -20.929 0.538 1.00 13.88 H new ATOM 388 N AMET A 66 0.498 -13.649 2.095 0.50 11.91 N ATOM 389 N BMET A 66 0.507 -13.650 2.097 0.50 11.55 N ATOM 390 CA AMET A 66 1.018 -12.615 2.974 0.50 12.05 C ATOM 391 CA BMET A 66 1.034 -12.580 2.949 0.50 11.21 C ATOM 392 C AMET A 66 0.078 -11.403 3.020 0.50 12.41 C ATOM 393 C BMET A 66 0.050 -11.422 3.025 0.50 12.02 C ATOM 394 O AMET A 66 -0.120 -10.823 4.077 0.50 11.67 O ATOM 395 O BMET A 66 -0.186 -10.885 4.095 0.50 11.26 O ATOM 396 CB AMET A 66 2.439 -12.225 2.571 0.50 11.99 C ATOM 397 CB BMET A 66 2.378 -12.067 2.432 0.50 11.14 C ATOM 398 CG AMET A 66 3.038 -11.161 3.453 0.50 13.84 C ATOM 399 CG BMET A 66 3.489 -13.073 2.451 0.50 9.26 C ATOM 400 SD AMET A 66 3.308 -11.709 5.155 0.50 14.28 S ATOM 401 SD BMET A 66 3.902 -13.616 4.136 0.50 9.48 S ATOM 402 CE AMET A 66 4.448 -13.051 4.877 0.50 13.87 C ATOM 403 CE BMET A 66 4.634 -12.135 4.845 0.50 8.48 C ATOM 0 H AMET A 66 0.949 -13.781 1.375 0.50 11.55 H new ATOM 0 H BMET A 66 0.966 -13.803 1.386 0.50 11.55 H new ATOM 0 HA AMET A 66 1.061 -12.973 3.874 0.50 11.21 H new ATOM 0 HA BMET A 66 1.163 -12.954 3.835 0.50 11.21 H new ATOM 0 HB2AMET A 66 3.004 -13.013 2.597 0.50 11.14 H new ATOM 0 HB2BMET A 66 2.260 -11.752 1.522 0.50 11.14 H new ATOM 0 HB3AMET A 66 2.433 -11.910 1.654 0.50 11.14 H new ATOM 0 HB3BMET A 66 2.644 -11.301 2.965 0.50 11.14 H new ATOM 0 HG2AMET A 66 3.884 -10.875 3.074 0.50 9.26 H new ATOM 0 HG2BMET A 66 3.234 -13.843 1.919 0.50 9.26 H new ATOM 0 HG3AMET A 66 2.453 -10.387 3.458 0.50 9.26 H new ATOM 0 HG3BMET A 66 4.277 -12.689 2.035 0.50 9.26 H new ATOM 0 HE1AMET A 66 4.834 -13.328 5.723 0.50 8.48 H new ATOM 0 HE1BMET A 66 5.209 -12.381 5.586 0.50 8.48 H new ATOM 0 HE2AMET A 66 3.977 -13.798 4.476 0.50 8.48 H new ATOM 0 HE2BMET A 66 5.157 -11.677 4.169 0.50 8.48 H new ATOM 0 HE3AMET A 66 5.154 -12.757 4.281 0.50 8.48 H new ATOM 0 HE3BMET A 66 3.931 -11.547 5.163 0.50 8.48 H new ATOM 404 N GLU A 67 -0.528 -11.051 1.881 1.00 12.40 N ATOM 405 CA GLU A 67 -1.517 -9.972 1.859 1.00 13.55 C ATOM 406 C GLU A 67 -2.724 -10.284 2.734 1.00 12.80 C ATOM 407 O GLU A 67 -3.213 -9.415 3.450 1.00 13.01 O ATOM 408 CB GLU A 67 -1.970 -9.648 0.435 1.00 13.91 C ATOM 409 CG GLU A 67 -0.871 -9.070 -0.441 1.00 16.49 C ATOM 410 CD GLU A 67 -0.578 -7.574 -0.221 1.00 23.23 C ATOM 411 OE1 GLU A 67 -1.150 -6.923 0.693 1.00 24.54 O ATOM 412 OE2 GLU A 67 0.262 -7.042 -0.981 1.00 24.32 O ATOM 0 H AGLU A 67 -0.381 -11.421 1.119 0.50 12.40 H new ATOM 0 H BGLU A 67 -0.364 -11.407 1.115 0.50 12.40 H new ATOM 0 HA GLU A 67 -1.075 -9.190 2.225 1.00 13.55 H new ATOM 0 HB2 GLU A 67 -2.311 -10.456 0.021 1.00 13.91 H new ATOM 0 HB3 GLU A 67 -2.706 -9.018 0.474 1.00 13.91 H new ATOM 0 HG2 GLU A 67 -0.055 -9.571 -0.285 1.00 16.49 H new ATOM 0 HG3 GLU A 67 -1.113 -9.204 -1.371 1.00 16.49 H new ATOM 413 N LYS A 68 -3.170 -11.539 2.715 1.00 13.31 N ATOM 414 CA LYS A 68 -4.301 -11.950 3.543 1.00 14.40 C ATOM 415 C LYS A 68 -3.941 -11.842 5.033 1.00 13.57 C ATOM 416 O LYS A 68 -4.705 -11.304 5.822 1.00 13.49 O ATOM 417 CB LYS A 68 -4.713 -13.378 3.197 1.00 15.17 C ATOM 418 CG LYS A 68 -5.986 -13.834 3.945 1.00 19.14 C ATOM 419 CD LYS A 68 -7.205 -13.010 3.486 1.00 25.87 C ATOM 420 CE LYS A 68 -8.531 -13.643 3.897 1.00 32.16 C ATOM 421 NZ LYS A 68 -8.780 -13.473 5.352 1.00 35.05 N ATOM 0 H LYS A 68 -2.833 -12.165 2.231 1.00 13.31 H new ATOM 0 HA LYS A 68 -5.049 -11.359 3.365 1.00 14.40 H new ATOM 0 HB2 LYS A 68 -4.864 -13.444 2.241 1.00 15.17 H new ATOM 0 HB3 LYS A 68 -3.984 -13.981 3.411 1.00 15.17 H new ATOM 0 HG2 LYS A 68 -6.145 -14.777 3.780 1.00 19.14 H new ATOM 0 HG3 LYS A 68 -5.860 -13.731 4.901 1.00 19.14 H new ATOM 0 HD2 LYS A 68 -7.147 -12.117 3.861 1.00 25.87 H new ATOM 0 HD3 LYS A 68 -7.182 -12.915 2.521 1.00 25.87 H new ATOM 0 HE2 LYS A 68 -9.255 -13.239 3.393 1.00 32.16 H new ATOM 0 HE3 LYS A 68 -8.524 -14.587 3.676 1.00 32.16 H new ATOM 0 HZ1 LYS A 68 -9.495 -13.947 5.588 1.00 35.05 H new ATOM 0 HZ2 LYS A 68 -8.072 -13.758 5.810 1.00 35.05 H new ATOM 0 HZ3 LYS A 68 -8.922 -12.613 5.531 1.00 35.05 H new ATOM 422 N ALA A 69 -2.753 -12.323 5.401 1.00 12.95 N ATOM 423 CA ALA A 69 -2.302 -12.202 6.775 1.00 12.66 C ATOM 424 C ALA A 69 -2.211 -10.743 7.217 1.00 12.57 C ATOM 425 O ALA A 69 -2.636 -10.375 8.299 1.00 12.96 O ATOM 426 CB ALA A 69 -0.934 -12.928 6.954 1.00 12.25 C ATOM 0 H ALA A 69 -2.202 -12.718 4.872 1.00 12.95 H new ATOM 0 HA ALA A 69 -2.960 -12.629 7.345 1.00 12.66 H new ATOM 0 HB1 ALA A 69 -0.640 -12.842 7.874 1.00 12.25 H new ATOM 0 HB2 ALA A 69 -1.035 -13.867 6.733 1.00 12.25 H new ATOM 0 HB3 ALA A 69 -0.275 -12.527 6.366 1.00 12.25 H new ATOM 427 N LEU A 70 -1.656 -9.890 6.359 1.00 12.17 N ATOM 428 CA LEU A 70 -1.564 -8.463 6.656 1.00 13.33 C ATOM 429 C LEU A 70 -2.938 -7.857 6.946 1.00 13.28 C ATOM 430 O LEU A 70 -3.088 -7.091 7.871 1.00 14.32 O ATOM 431 CB LEU A 70 -0.896 -7.742 5.476 1.00 13.70 C ATOM 432 CG LEU A 70 -0.552 -6.264 5.669 1.00 16.04 C ATOM 433 CD1 LEU A 70 0.813 -6.074 6.217 1.00 18.59 C ATOM 434 CD2 LEU A 70 -0.598 -5.574 4.275 1.00 19.26 C ATOM 0 H LEU A 70 -1.326 -10.118 5.598 1.00 12.17 H new ATOM 0 HA LEU A 70 -1.026 -8.349 7.455 1.00 13.33 H new ATOM 0 HB2 LEU A 70 -0.078 -8.216 5.257 1.00 13.70 H new ATOM 0 HB3 LEU A 70 -1.482 -7.817 4.706 1.00 13.70 H new ATOM 0 HG LEU A 70 -1.190 -5.886 6.294 1.00 16.04 H new ATOM 0 HD11 LEU A 70 0.990 -5.126 6.324 1.00 18.59 H new ATOM 0 HD12 LEU A 70 0.880 -6.514 7.079 1.00 18.59 H new ATOM 0 HD13 LEU A 70 1.463 -6.457 5.607 1.00 18.59 H new ATOM 0 HD21 LEU A 70 -0.383 -4.633 4.372 1.00 19.26 H new ATOM 0 HD22 LEU A 70 0.047 -5.994 3.685 1.00 19.26 H new ATOM 0 HD23 LEU A 70 -1.487 -5.664 3.898 1.00 19.26 H new ATOM 435 N SER A 71 -3.929 -8.296 6.180 1.00 14.17 N ATOM 436 CA SER A 71 -5.261 -7.710 6.235 1.00 15.83 C ATOM 437 C SER A 71 -5.961 -7.987 7.552 1.00 16.36 C ATOM 438 O SER A 71 -6.913 -7.271 7.898 1.00 17.91 O ATOM 439 CB SER A 71 -6.096 -8.184 5.029 1.00 15.83 C ATOM 440 OG SER A 71 -6.634 -9.488 5.257 1.00 18.24 O ATOM 0 H SER A 71 -3.849 -8.940 5.616 1.00 14.17 H new ATOM 0 HA SER A 71 -5.165 -6.746 6.183 1.00 15.83 H new ATOM 0 HB2 SER A 71 -6.818 -7.557 4.865 1.00 15.83 H new ATOM 0 HB3 SER A 71 -5.543 -8.194 4.232 1.00 15.83 H new ATOM 0 HG SER A 71 -6.009 -10.023 5.428 1.00 18.24 H new ATOM 441 N ILE A 72 -5.471 -8.987 8.298 1.00 16.42 N ATOM 442 CA ILE A 72 -6.042 -9.342 9.604 1.00 16.70 C ATOM 443 C ILE A 72 -5.108 -9.071 10.788 1.00 16.61 C ATOM 444 O ILE A 72 -5.346 -9.520 11.929 1.00 17.68 O ATOM 445 CB ILE A 72 -6.615 -10.790 9.642 1.00 17.52 C ATOM 446 CG1 ILE A 72 -5.521 -11.852 9.538 1.00 18.12 C ATOM 447 CG2 ILE A 72 -7.741 -10.949 8.602 1.00 20.09 C ATOM 448 CD1 ILE A 72 -5.914 -13.140 10.290 1.00 19.35 C ATOM 0 H ILE A 72 -4.803 -9.475 8.062 1.00 16.42 H new ATOM 0 HA ILE A 72 -6.791 -8.735 9.713 1.00 16.70 H new ATOM 0 HB ILE A 72 -7.016 -10.939 10.513 1.00 17.52 H new ATOM 0 HG12 ILE A 72 -5.356 -12.058 8.605 1.00 18.12 H new ATOM 0 HG13 ILE A 72 -4.693 -11.502 9.902 1.00 18.12 H new ATOM 0 HG21 ILE A 72 -8.088 -11.854 8.636 1.00 20.09 H new ATOM 0 HG22 ILE A 72 -8.454 -10.322 8.799 1.00 20.09 H new ATOM 0 HG23 ILE A 72 -7.390 -10.771 7.715 1.00 20.09 H new ATOM 0 HD11 ILE A 72 -5.202 -13.794 10.206 1.00 19.35 H new ATOM 0 HD12 ILE A 72 -6.057 -12.937 11.228 1.00 19.35 H new ATOM 0 HD13 ILE A 72 -6.730 -13.501 9.910 1.00 19.35 H new ATOM 449 N GLY A 73 -4.051 -8.314 10.530 1.00 15.34 N ATOM 450 CA GLY A 73 -3.237 -7.822 11.604 1.00 14.72 C ATOM 451 C GLY A 73 -1.789 -8.297 11.682 1.00 13.39 C ATOM 452 O GLY A 73 -1.100 -7.916 12.616 1.00 14.89 O ATOM 0 H GLY A 73 -3.797 -8.080 9.742 1.00 15.34 H new ATOM 0 HA2 GLY A 73 -3.229 -6.853 11.551 1.00 14.72 H new ATOM 0 HA3 GLY A 73 -3.672 -8.057 12.438 1.00 14.72 H new ATOM 453 N PHE A 74 -1.335 -9.091 10.719 1.00 13.46 N ATOM 454 CA PHE A 74 0.055 -9.579 10.738 1.00 12.43 C ATOM 455 C PHE A 74 1.056 -8.501 10.318 1.00 12.68 C ATOM 456 O PHE A 74 0.966 -7.922 9.217 1.00 13.22 O ATOM 457 CB PHE A 74 0.215 -10.780 9.808 1.00 12.66 C ATOM 458 CG PHE A 74 1.547 -11.497 9.948 1.00 13.03 C ATOM 459 CD1 PHE A 74 1.962 -11.995 11.189 1.00 14.50 C ATOM 460 CD2 PHE A 74 2.358 -11.719 8.832 1.00 13.96 C ATOM 461 CE1 PHE A 74 3.179 -12.690 11.311 1.00 14.54 C ATOM 462 CE2 PHE A 74 3.564 -12.407 8.935 1.00 13.86 C ATOM 463 CZ PHE A 74 3.983 -12.902 10.170 1.00 13.13 C ATOM 0 H PHE A 74 -1.803 -9.360 10.050 1.00 13.46 H new ATOM 0 HA PHE A 74 0.244 -9.834 11.655 1.00 12.43 H new ATOM 0 HB2 PHE A 74 -0.501 -11.410 9.983 1.00 12.66 H new ATOM 0 HB3 PHE A 74 0.113 -10.483 8.890 1.00 12.66 H new ATOM 0 HD1 PHE A 74 1.428 -11.865 11.939 1.00 14.50 H new ATOM 0 HD2 PHE A 74 2.086 -11.400 8.002 1.00 13.96 H new ATOM 0 HE1 PHE A 74 3.453 -13.009 12.141 1.00 14.54 H new ATOM 0 HE2 PHE A 74 4.091 -12.537 8.180 1.00 13.86 H new ATOM 0 HZ PHE A 74 4.785 -13.368 10.241 1.00 13.13 H new ATOM 464 N GLU A 75 1.998 -8.199 11.201 1.00 12.34 N ATOM 465 CA GLU A 75 3.137 -7.399 10.807 1.00 12.44 C ATOM 466 C GLU A 75 4.336 -7.769 11.670 1.00 11.95 C ATOM 467 O GLU A 75 4.203 -8.308 12.800 1.00 13.67 O ATOM 468 CB GLU A 75 2.856 -5.891 10.869 1.00 14.37 C ATOM 469 CG GLU A 75 2.578 -5.382 12.286 1.00 15.48 C ATOM 470 CD GLU A 75 2.473 -3.862 12.419 1.00 18.89 C ATOM 471 OE1 GLU A 75 2.674 -3.057 11.447 1.00 15.01 O ATOM 472 OE2 GLU A 75 2.177 -3.455 13.557 1.00 21.79 O ATOM 0 H GLU A 75 1.994 -8.446 12.025 1.00 12.34 H new ATOM 0 HA GLU A 75 3.331 -7.596 9.877 1.00 12.44 H new ATOM 0 HB2 GLU A 75 3.616 -5.412 10.504 1.00 14.37 H new ATOM 0 HB3 GLU A 75 2.094 -5.687 10.304 1.00 14.37 H new ATOM 0 HG2 GLU A 75 1.751 -5.778 12.601 1.00 15.48 H new ATOM 0 HG3 GLU A 75 3.284 -5.696 12.872 1.00 15.48 H new ATOM 473 N THR A 76 5.509 -7.532 11.107 1.00 11.27 N ATOM 474 CA THR A 76 6.764 -7.703 11.831 1.00 9.96 C ATOM 475 C THR A 76 7.706 -6.578 11.482 1.00 9.86 C ATOM 476 O THR A 76 7.433 -5.773 10.570 1.00 9.78 O ATOM 477 CB THR A 76 7.484 -9.025 11.498 1.00 11.03 C ATOM 478 OG1 THR A 76 8.222 -8.853 10.281 1.00 12.66 O ATOM 479 CG2 THR A 76 6.545 -10.235 11.402 1.00 11.47 C ATOM 0 H THR A 76 5.604 -7.267 10.294 1.00 11.27 H new ATOM 0 HA THR A 76 6.533 -7.709 12.773 1.00 9.96 H new ATOM 0 HB THR A 76 8.082 -9.225 12.235 1.00 11.03 H new ATOM 0 HG1 THR A 76 8.154 -9.546 9.811 1.00 12.66 H new ATOM 0 HG21 THR A 76 7.061 -11.029 11.191 1.00 11.47 H new ATOM 0 HG22 THR A 76 6.091 -10.361 12.250 1.00 11.47 H new ATOM 0 HG23 THR A 76 5.889 -10.081 10.704 1.00 11.47 H new ATOM 480 N CYS A 77 8.849 -6.528 12.156 1.00 9.57 N ATOM 481 CA CYS A 77 9.874 -5.555 11.787 1.00 9.76 C ATOM 482 C CYS A 77 11.090 -6.287 11.201 1.00 9.35 C ATOM 483 O CYS A 77 12.209 -5.811 11.306 1.00 11.53 O ATOM 484 CB CYS A 77 10.269 -4.684 13.000 1.00 11.89 C ATOM 485 SG CYS A 77 11.189 -3.163 12.594 1.00 13.85 S ATOM 0 H CYS A 77 9.050 -7.038 12.819 1.00 9.57 H new ATOM 0 HA CYS A 77 9.517 -4.958 11.111 1.00 9.76 H new ATOM 0 HB2 CYS A 77 9.463 -4.439 13.481 1.00 11.89 H new ATOM 0 HB3 CYS A 77 10.807 -5.220 13.603 1.00 11.89 H new ATOM 486 N ARG A 78 10.839 -7.436 10.580 1.00 9.33 N ATOM 487 CA ARG A 78 11.925 -8.312 10.117 1.00 9.24 C ATOM 488 C ARG A 78 11.722 -8.736 8.669 1.00 9.52 C ATOM 489 O ARG A 78 10.608 -9.062 8.250 1.00 10.23 O ATOM 490 CB ARG A 78 11.984 -9.588 10.983 1.00 10.74 C ATOM 491 CG ARG A 78 12.366 -9.311 12.440 1.00 12.12 C ATOM 492 CD ARG A 78 13.802 -8.922 12.587 1.00 9.90 C ATOM 493 NE ARG A 78 14.678 -10.084 12.395 1.00 9.04 N ATOM 494 CZ ARG A 78 15.986 -10.069 12.569 1.00 9.96 C ATOM 495 NH1 ARG A 78 16.622 -8.947 12.927 1.00 11.58 N ATOM 496 NH2 ARG A 78 16.657 -11.197 12.399 1.00 9.95 N ATOM 0 H ARG A 78 10.048 -7.731 10.415 1.00 9.33 H new ATOM 0 HA ARG A 78 12.750 -7.808 10.191 1.00 9.24 H new ATOM 0 HB2 ARG A 78 11.120 -10.028 10.959 1.00 10.74 H new ATOM 0 HB3 ARG A 78 12.627 -10.204 10.598 1.00 10.74 H new ATOM 0 HG2 ARG A 78 11.804 -8.602 12.790 1.00 12.12 H new ATOM 0 HG3 ARG A 78 12.191 -10.102 12.974 1.00 12.12 H new ATOM 0 HD2 ARG A 78 14.023 -8.234 11.940 1.00 9.90 H new ATOM 0 HD3 ARG A 78 13.950 -8.542 13.467 1.00 9.90 H new ATOM 0 HE ARG A 78 14.314 -10.825 12.153 1.00 9.04 H new ATOM 0 HH11 ARG A 78 16.178 -8.221 13.047 1.00 11.58 H new ATOM 0 HH12 ARG A 78 17.475 -8.953 13.037 1.00 11.58 H new ATOM 0 HH21 ARG A 78 16.240 -11.917 12.180 1.00 9.95 H new ATOM 0 HH22 ARG A 78 17.510 -11.210 12.507 1.00 9.95 H new ATOM 497 N TYR A 79 12.814 -8.731 7.918 1.00 8.79 N ATOM 498 CA TYR A 79 12.778 -9.245 6.551 1.00 9.73 C ATOM 499 C TYR A 79 12.811 -10.752 6.568 1.00 10.38 C ATOM 500 O TYR A 79 13.547 -11.361 7.372 1.00 10.68 O ATOM 501 CB TYR A 79 13.980 -8.701 5.775 1.00 10.16 C ATOM 502 CG TYR A 79 13.917 -7.221 5.619 1.00 10.01 C ATOM 503 CD1 TYR A 79 13.109 -6.659 4.633 1.00 11.96 C ATOM 504 CD2 TYR A 79 14.638 -6.363 6.472 1.00 9.81 C ATOM 505 CE1 TYR A 79 13.023 -5.295 4.493 1.00 12.55 C ATOM 506 CE2 TYR A 79 14.540 -4.982 6.351 1.00 10.45 C ATOM 507 CZ TYR A 79 13.743 -4.469 5.330 1.00 11.85 C ATOM 508 OH TYR A 79 13.645 -3.091 5.246 1.00 15.25 O ATOM 0 H TYR A 79 13.581 -8.438 8.175 1.00 8.79 H new ATOM 0 HA TYR A 79 11.959 -8.957 6.118 1.00 9.73 H new ATOM 0 HB2 TYR A 79 14.798 -8.943 6.236 1.00 10.16 H new ATOM 0 HB3 TYR A 79 14.014 -9.117 4.899 1.00 10.16 H new ATOM 0 HD1 TYR A 79 12.623 -7.212 4.064 1.00 11.96 H new ATOM 0 HD2 TYR A 79 15.189 -6.727 7.127 1.00 9.81 H new ATOM 0 HE1 TYR A 79 12.479 -4.929 3.834 1.00 12.55 H new ATOM 0 HE2 TYR A 79 14.993 -4.417 6.934 1.00 10.45 H new ATOM 0 HH TYR A 79 12.878 -2.880 4.976 1.00 15.25 H new ATOM 509 N GLY A 80 12.031 -11.374 5.690 1.00 9.88 N ATOM 510 CA GLY A 80 12.060 -12.845 5.610 1.00 9.83 C ATOM 511 C GLY A 80 11.582 -13.381 4.274 1.00 11.33 C ATOM 512 O GLY A 80 10.826 -12.717 3.545 1.00 11.22 O ATOM 0 H GLY A 80 11.492 -10.985 5.145 1.00 9.88 H new ATOM 0 HA2 GLY A 80 12.965 -13.154 5.770 1.00 9.83 H new ATOM 0 HA3 GLY A 80 11.506 -13.212 6.316 1.00 9.83 H new ATOM 513 N PHE A 81 12.036 -14.585 3.957 1.00 10.31 N ATOM 514 CA PHE A 81 11.646 -15.243 2.686 1.00 11.19 C ATOM 515 C PHE A 81 10.165 -15.550 2.592 1.00 11.45 C ATOM 516 O PHE A 81 9.509 -15.933 3.556 1.00 10.59 O ATOM 517 CB PHE A 81 12.466 -16.513 2.465 1.00 11.19 C ATOM 518 CG PHE A 81 13.901 -16.241 2.167 1.00 11.70 C ATOM 519 CD1 PHE A 81 14.272 -15.781 0.884 1.00 11.47 C ATOM 520 CD2 PHE A 81 14.891 -16.388 3.146 1.00 13.24 C ATOM 521 CE1 PHE A 81 15.593 -15.510 0.575 1.00 14.33 C ATOM 522 CE2 PHE A 81 16.226 -16.095 2.836 1.00 14.14 C ATOM 523 CZ PHE A 81 16.567 -15.657 1.546 1.00 14.55 C ATOM 0 H PHE A 81 12.568 -15.046 4.451 1.00 10.31 H new ATOM 0 HA PHE A 81 11.838 -14.604 1.982 1.00 11.19 H new ATOM 0 HB2 PHE A 81 12.406 -17.071 3.256 1.00 11.19 H new ATOM 0 HB3 PHE A 81 12.079 -17.017 1.732 1.00 11.19 H new ATOM 0 HD1 PHE A 81 13.617 -15.658 0.236 1.00 11.47 H new ATOM 0 HD2 PHE A 81 14.663 -16.679 3.999 1.00 13.24 H new ATOM 0 HE1 PHE A 81 15.825 -15.230 -0.281 1.00 14.33 H new ATOM 0 HE2 PHE A 81 16.886 -16.191 3.484 1.00 14.14 H new ATOM 0 HZ PHE A 81 17.454 -15.464 1.343 1.00 14.55 H new ATOM 524 N ILE A 82 9.620 -15.309 1.398 1.00 11.13 N ATOM 525 CA ILE A 82 8.365 -15.916 0.952 1.00 11.94 C ATOM 526 C ILE A 82 8.647 -16.582 -0.392 1.00 11.04 C ATOM 527 O ILE A 82 9.797 -16.599 -0.849 1.00 12.85 O ATOM 528 CB ILE A 82 7.196 -14.884 0.886 1.00 12.15 C ATOM 529 CG1 ILE A 82 7.470 -13.793 -0.175 1.00 11.83 C ATOM 530 CG2 ILE A 82 6.948 -14.239 2.282 1.00 11.15 C ATOM 531 CD1 ILE A 82 6.145 -13.048 -0.560 1.00 15.06 C ATOM 0 H ILE A 82 9.974 -14.782 0.818 1.00 11.13 H new ATOM 0 HA ILE A 82 8.061 -16.578 1.592 1.00 11.94 H new ATOM 0 HB ILE A 82 6.395 -15.363 0.622 1.00 12.15 H new ATOM 0 HG12 ILE A 82 8.116 -13.156 0.169 1.00 11.83 H new ATOM 0 HG13 ILE A 82 7.861 -14.196 -0.966 1.00 11.83 H new ATOM 0 HG21 ILE A 82 6.219 -13.602 2.219 1.00 11.15 H new ATOM 0 HG22 ILE A 82 6.718 -14.931 2.922 1.00 11.15 H new ATOM 0 HG23 ILE A 82 7.752 -13.782 2.575 1.00 11.15 H new ATOM 0 HD11 ILE A 82 6.337 -12.369 -1.225 1.00 15.06 H new ATOM 0 HD12 ILE A 82 5.509 -13.685 -0.923 1.00 15.06 H new ATOM 0 HD13 ILE A 82 5.768 -12.629 0.229 1.00 15.06 H new ATOM 532 N GLU A 83 7.616 -17.128 -1.033 1.00 11.61 N ATOM 533 CA GLU A 83 7.774 -17.699 -2.386 1.00 12.91 C ATOM 534 C GLU A 83 8.159 -16.570 -3.365 1.00 13.08 C ATOM 535 O GLU A 83 7.350 -15.696 -3.673 1.00 14.62 O ATOM 536 CB GLU A 83 6.465 -18.370 -2.796 1.00 13.58 C ATOM 537 CG GLU A 83 6.549 -19.131 -4.105 1.00 15.68 C ATOM 538 CD GLU A 83 7.442 -20.336 -4.022 1.00 18.69 C ATOM 539 OE1 GLU A 83 7.180 -21.213 -3.150 1.00 18.46 O ATOM 540 OE2 GLU A 83 8.395 -20.447 -4.829 1.00 18.62 O ATOM 0 H GLU A 83 6.820 -17.181 -0.712 1.00 11.61 H new ATOM 0 HA GLU A 83 8.477 -18.367 -2.399 1.00 12.91 H new ATOM 0 HB2 GLU A 83 6.191 -18.981 -2.094 1.00 13.58 H new ATOM 0 HB3 GLU A 83 5.774 -17.693 -2.869 1.00 13.58 H new ATOM 0 HG2 GLU A 83 5.659 -19.411 -4.369 1.00 15.68 H new ATOM 0 HG3 GLU A 83 6.877 -18.538 -4.799 1.00 15.68 H new ATOM 541 N GLY A 84 9.414 -16.589 -3.786 1.00 12.89 N ATOM 542 CA GLY A 84 9.922 -15.671 -4.802 1.00 13.36 C ATOM 543 C GLY A 84 10.436 -14.313 -4.363 1.00 14.22 C ATOM 544 O GLY A 84 10.852 -13.540 -5.226 1.00 15.02 O ATOM 0 H GLY A 84 10.004 -17.140 -3.489 1.00 12.89 H new ATOM 0 HA2 GLY A 84 10.642 -16.121 -5.271 1.00 13.36 H new ATOM 0 HA3 GLY A 84 9.212 -15.523 -5.446 1.00 13.36 H new ATOM 545 N HIS A 85 10.433 -14.014 -3.055 1.00 12.45 N ATOM 546 CA HIS A 85 10.779 -12.654 -2.566 1.00 11.82 C ATOM 547 C HIS A 85 11.297 -12.702 -1.145 1.00 11.83 C ATOM 548 O HIS A 85 11.136 -13.734 -0.457 1.00 12.63 O ATOM 549 CB HIS A 85 9.560 -11.706 -2.540 1.00 12.92 C ATOM 550 CG HIS A 85 8.820 -11.638 -3.836 1.00 15.03 C ATOM 551 ND1 HIS A 85 9.259 -10.876 -4.894 1.00 15.79 N ATOM 552 CD2 HIS A 85 7.699 -12.268 -4.255 1.00 18.97 C ATOM 553 CE1 HIS A 85 8.436 -11.034 -5.918 1.00 18.34 C ATOM 554 NE2 HIS A 85 7.469 -11.858 -5.555 1.00 19.75 N ATOM 0 H HIS A 85 10.236 -14.576 -2.434 1.00 12.45 H new ATOM 0 HA HIS A 85 11.450 -12.325 -3.185 1.00 11.82 H new ATOM 0 HB2 HIS A 85 8.950 -11.996 -1.844 1.00 12.92 H new ATOM 0 HB3 HIS A 85 9.859 -10.815 -2.301 1.00 12.92 H new ATOM 0 HD2 HIS A 85 7.182 -12.863 -3.762 1.00 18.97 H new ATOM 0 HE1 HIS A 85 8.523 -10.633 -6.752 1.00 18.34 H new ATOM 0 HE2 HIS A 85 6.806 -12.099 -6.046 1.00 19.75 H new ATOM 555 N VAL A 86 11.918 -11.598 -0.728 1.00 10.94 N ATOM 556 CA VAL A 86 12.177 -11.272 0.687 1.00 10.58 C ATOM 557 C VAL A 86 11.291 -10.081 0.997 1.00 10.59 C ATOM 558 O VAL A 86 11.296 -9.086 0.238 1.00 11.00 O ATOM 559 CB VAL A 86 13.652 -10.900 0.915 1.00 10.07 C ATOM 560 CG1 VAL A 86 13.878 -10.401 2.356 1.00 12.52 C ATOM 561 CG2 VAL A 86 14.508 -12.114 0.666 1.00 12.20 C ATOM 0 H VAL A 86 12.210 -10.999 -1.271 1.00 10.94 H new ATOM 0 HA VAL A 86 11.989 -12.032 1.259 1.00 10.58 H new ATOM 0 HB VAL A 86 13.892 -10.187 0.303 1.00 10.07 H new ATOM 0 HG11 VAL A 86 14.813 -10.173 2.477 1.00 12.52 H new ATOM 0 HG12 VAL A 86 13.331 -9.616 2.517 1.00 12.52 H new ATOM 0 HG13 VAL A 86 13.633 -11.100 2.983 1.00 12.52 H new ATOM 0 HG21 VAL A 86 15.440 -11.887 0.808 1.00 12.20 H new ATOM 0 HG22 VAL A 86 14.251 -12.822 1.277 1.00 12.20 H new ATOM 0 HG23 VAL A 86 14.384 -12.415 -0.248 1.00 12.20 H new ATOM 562 N VAL A 87 10.499 -10.186 2.068 1.00 9.78 N ATOM 563 CA VAL A 87 9.510 -9.132 2.365 1.00 9.90 C ATOM 564 C VAL A 87 9.478 -8.784 3.839 1.00 10.15 C ATOM 565 O VAL A 87 9.965 -9.546 4.681 1.00 11.03 O ATOM 566 CB VAL A 87 8.082 -9.513 1.935 1.00 9.24 C ATOM 567 CG1 VAL A 87 8.046 -9.772 0.423 1.00 11.10 C ATOM 568 CG2 VAL A 87 7.571 -10.751 2.707 1.00 10.63 C ATOM 0 H VAL A 87 10.513 -10.841 2.625 1.00 9.78 H new ATOM 0 HA VAL A 87 9.802 -8.364 1.849 1.00 9.90 H new ATOM 0 HB VAL A 87 7.493 -8.772 2.147 1.00 9.24 H new ATOM 0 HG11 VAL A 87 7.145 -10.012 0.157 1.00 11.10 H new ATOM 0 HG12 VAL A 87 8.320 -8.970 -0.049 1.00 11.10 H new ATOM 0 HG13 VAL A 87 8.651 -10.498 0.204 1.00 11.10 H new ATOM 0 HG21 VAL A 87 6.671 -10.966 2.415 1.00 10.63 H new ATOM 0 HG22 VAL A 87 8.156 -11.505 2.533 1.00 10.63 H new ATOM 0 HG23 VAL A 87 7.565 -10.560 3.658 1.00 10.63 H new ATOM 569 N ILE A 88 8.809 -7.676 4.137 1.00 10.04 N ATOM 570 CA ILE A 88 8.482 -7.297 5.533 1.00 9.84 C ATOM 571 C ILE A 88 7.035 -6.792 5.520 1.00 10.53 C ATOM 572 O ILE A 88 6.727 -5.834 4.784 1.00 10.40 O ATOM 573 CB ILE A 88 9.492 -6.269 6.092 1.00 10.21 C ATOM 574 CG1 ILE A 88 9.190 -5.889 7.532 1.00 11.92 C ATOM 575 CG2 ILE A 88 9.637 -5.007 5.170 1.00 12.78 C ATOM 576 CD1 ILE A 88 10.275 -4.997 8.086 1.00 12.28 C ATOM 0 H ILE A 88 8.528 -7.117 3.547 1.00 10.04 H new ATOM 0 HA ILE A 88 8.554 -8.054 6.135 1.00 9.84 H new ATOM 0 HB ILE A 88 10.355 -6.711 6.094 1.00 10.21 H new ATOM 0 HG12 ILE A 88 8.335 -5.434 7.579 1.00 11.92 H new ATOM 0 HG13 ILE A 88 9.115 -6.690 8.074 1.00 11.92 H new ATOM 0 HG21 ILE A 88 10.279 -4.393 5.560 1.00 12.78 H new ATOM 0 HG22 ILE A 88 9.945 -5.281 4.292 1.00 12.78 H new ATOM 0 HG23 ILE A 88 8.777 -4.566 5.087 1.00 12.78 H new ATOM 0 HD11 ILE A 88 10.066 -4.765 9.004 1.00 12.28 H new ATOM 0 HD12 ILE A 88 11.125 -5.464 8.056 1.00 12.28 H new ATOM 0 HD13 ILE A 88 10.332 -4.188 7.554 1.00 12.28 H new ATOM 577 N PRO A 89 6.120 -7.438 6.265 1.00 9.88 N ATOM 578 CA PRO A 89 4.719 -6.987 6.298 1.00 9.79 C ATOM 579 C PRO A 89 4.546 -5.852 7.300 1.00 9.99 C ATOM 580 O PRO A 89 4.895 -6.018 8.483 1.00 10.63 O ATOM 581 CB PRO A 89 3.946 -8.249 6.725 1.00 10.80 C ATOM 582 CG PRO A 89 4.951 -8.976 7.628 1.00 10.46 C ATOM 583 CD PRO A 89 6.321 -8.673 7.060 1.00 10.29 C ATOM 0 HA PRO A 89 4.407 -6.633 5.451 1.00 9.79 H new ATOM 0 HB2 PRO A 89 3.130 -8.027 7.200 1.00 10.80 H new ATOM 0 HB3 PRO A 89 3.691 -8.790 5.961 1.00 10.80 H new ATOM 0 HG2 PRO A 89 4.880 -8.668 8.545 1.00 10.46 H new ATOM 0 HG3 PRO A 89 4.782 -9.931 7.636 1.00 10.46 H new ATOM 0 HD2 PRO A 89 6.975 -8.539 7.764 1.00 10.29 H new ATOM 0 HD3 PRO A 89 6.645 -9.402 6.507 1.00 10.29 H new ATOM 584 N ARG A 90 4.013 -4.715 6.834 1.00 9.39 N ATOM 585 CA ARG A 90 3.859 -3.540 7.675 1.00 9.36 C ATOM 586 C ARG A 90 2.462 -2.959 7.608 1.00 10.51 C ATOM 587 O ARG A 90 1.929 -2.716 6.521 1.00 10.11 O ATOM 588 CB ARG A 90 4.829 -2.440 7.229 1.00 9.68 C ATOM 589 CG ARG A 90 6.299 -2.750 7.384 1.00 9.91 C ATOM 590 CD ARG A 90 6.657 -3.112 8.819 1.00 11.63 C ATOM 591 NE ARG A 90 6.252 -2.060 9.743 1.00 10.96 N ATOM 592 CZ ARG A 90 6.182 -2.212 11.065 1.00 14.69 C ATOM 593 NH1 ARG A 90 6.475 -3.392 11.641 1.00 15.10 N ATOM 594 NH2 ARG A 90 5.797 -1.204 11.829 1.00 14.70 N ATOM 0 H ARG A 90 3.735 -4.612 6.027 1.00 9.39 H new ATOM 0 HA ARG A 90 4.041 -3.831 8.582 1.00 9.36 H new ATOM 0 HB2 ARG A 90 4.656 -2.240 6.296 1.00 9.68 H new ATOM 0 HB3 ARG A 90 4.631 -1.635 7.733 1.00 9.68 H new ATOM 0 HG2 ARG A 90 6.538 -3.484 6.797 1.00 9.91 H new ATOM 0 HG3 ARG A 90 6.822 -1.982 7.105 1.00 9.91 H new ATOM 0 HD2 ARG A 90 6.224 -3.945 9.063 1.00 11.63 H new ATOM 0 HD3 ARG A 90 7.613 -3.258 8.890 1.00 11.63 H new ATOM 0 HE ARG A 90 6.045 -1.293 9.414 1.00 10.96 H new ATOM 0 HH11 ARG A 90 6.711 -4.061 11.155 1.00 15.10 H new ATOM 0 HH12 ARG A 90 6.426 -3.477 12.495 1.00 15.10 H new ATOM 0 HH21 ARG A 90 5.591 -0.449 11.473 1.00 14.70 H new ATOM 0 HH22 ARG A 90 5.752 -1.304 12.682 1.00 14.70 H new ATOM 595 N ILE A 91 1.866 -2.742 8.778 1.00 11.16 N ATOM 596 CA ILE A 91 0.540 -2.135 8.894 1.00 11.91 C ATOM 597 C ILE A 91 0.675 -0.733 9.434 1.00 13.79 C ATOM 598 O ILE A 91 0.105 0.207 8.865 1.00 15.33 O ATOM 599 CB ILE A 91 -0.389 -2.971 9.841 1.00 11.81 C ATOM 600 CG1 ILE A 91 -0.667 -4.353 9.242 1.00 12.53 C ATOM 601 CG2 ILE A 91 -1.677 -2.175 10.151 1.00 11.97 C ATOM 602 CD1 ILE A 91 -1.208 -5.393 10.237 1.00 14.86 C ATOM 0 H ILE A 91 2.222 -2.944 9.534 1.00 11.16 H new ATOM 0 HA ILE A 91 0.137 -2.116 8.012 1.00 11.91 H new ATOM 0 HB ILE A 91 0.061 -3.126 10.686 1.00 11.81 H new ATOM 0 HG12 ILE A 91 -1.305 -4.255 8.518 1.00 12.53 H new ATOM 0 HG13 ILE A 91 0.154 -4.693 8.853 1.00 12.53 H new ATOM 0 HG21 ILE A 91 -2.247 -2.697 10.737 1.00 11.97 H new ATOM 0 HG22 ILE A 91 -1.445 -1.340 10.587 1.00 11.97 H new ATOM 0 HG23 ILE A 91 -2.149 -1.988 9.324 1.00 11.97 H new ATOM 0 HD11 ILE A 91 -1.356 -6.234 9.778 1.00 14.86 H new ATOM 0 HD12 ILE A 91 -0.564 -5.523 10.951 1.00 14.86 H new ATOM 0 HD13 ILE A 91 -2.046 -5.078 10.611 1.00 14.86 H new ATOM 603 N HIS A 92 1.417 -0.586 10.525 1.00 14.34 N ATOM 604 CA HIS A 92 1.580 0.694 11.184 1.00 15.54 C ATOM 605 C HIS A 92 2.934 1.205 10.768 1.00 15.76 C ATOM 606 O HIS A 92 3.936 0.480 10.870 1.00 17.20 O ATOM 607 CB HIS A 92 1.494 0.499 12.691 1.00 16.56 C ATOM 608 CG HIS A 92 0.207 -0.131 13.119 1.00 20.15 C ATOM 609 ND1 HIS A 92 0.115 -1.454 13.493 1.00 22.60 N ATOM 610 CD2 HIS A 92 -1.055 0.366 13.172 1.00 23.34 C ATOM 611 CE1 HIS A 92 -1.142 -1.737 13.788 1.00 22.21 C ATOM 612 NE2 HIS A 92 -1.872 -0.652 13.604 1.00 25.11 N ATOM 0 H HIS A 92 1.841 -1.232 10.903 1.00 14.34 H new ATOM 0 HA HIS A 92 0.890 1.330 10.939 1.00 15.54 H new ATOM 0 HB2 HIS A 92 2.234 -0.055 12.984 1.00 16.56 H new ATOM 0 HB3 HIS A 92 1.591 1.358 13.131 1.00 16.56 H new ATOM 0 HD1 HIS A 92 0.772 -2.008 13.529 1.00 22.60 H new ATOM 0 HD2 HIS A 92 -1.318 1.232 12.957 1.00 23.34 H new ATOM 0 HE1 HIS A 92 -1.459 -2.562 14.077 1.00 22.21 H new ATOM 613 N PRO A 93 2.997 2.450 10.283 1.00 14.25 N ATOM 614 CA PRO A 93 4.311 2.949 9.876 1.00 13.65 C ATOM 615 C PRO A 93 5.259 3.089 11.063 1.00 13.50 C ATOM 616 O PRO A 93 4.877 3.636 12.097 1.00 14.38 O ATOM 617 CB PRO A 93 4.007 4.347 9.312 1.00 13.75 C ATOM 618 CG PRO A 93 2.621 4.670 9.753 1.00 15.34 C ATOM 619 CD PRO A 93 1.900 3.392 9.975 1.00 14.92 C ATOM 0 HA PRO A 93 4.743 2.348 9.248 1.00 13.65 H new ATOM 0 HB2 PRO A 93 4.640 5.002 9.646 1.00 13.75 H new ATOM 0 HB3 PRO A 93 4.075 4.354 8.344 1.00 13.75 H new ATOM 0 HG2 PRO A 93 2.638 5.195 10.568 1.00 15.34 H new ATOM 0 HG3 PRO A 93 2.167 5.203 9.082 1.00 15.34 H new ATOM 0 HD2 PRO A 93 1.266 3.458 10.706 1.00 14.92 H new ATOM 0 HD3 PRO A 93 1.400 3.119 9.190 1.00 14.92 H new ATOM 620 N ASN A 94 6.499 2.636 10.900 1.00 13.29 N ATOM 621 CA ASN A 94 7.496 2.799 11.942 1.00 13.60 C ATOM 622 C ASN A 94 8.779 3.213 11.251 1.00 13.98 C ATOM 623 O ASN A 94 9.190 2.592 10.270 1.00 12.58 O ATOM 624 CB ASN A 94 7.634 1.466 12.716 1.00 14.85 C ATOM 625 CG ASN A 94 8.621 1.533 13.893 1.00 18.67 C ATOM 626 OD1 ASN A 94 9.636 2.219 13.864 1.00 18.88 O ATOM 627 ND2 ASN A 94 8.298 0.776 14.962 1.00 24.84 N ATOM 0 H ASN A 94 6.779 2.233 10.194 1.00 13.29 H new ATOM 0 HA ASN A 94 7.255 3.476 12.594 1.00 13.60 H new ATOM 0 HB2 ASN A 94 6.762 1.204 13.050 1.00 14.85 H new ATOM 0 HB3 ASN A 94 7.922 0.773 12.102 1.00 14.85 H new ATOM 0 HD21 ASN A 94 8.811 0.765 15.652 1.00 24.84 H new ATOM 0 HD22 ASN A 94 7.579 0.305 14.954 1.00 24.84 H new ATOM 628 N SER A 95 9.431 4.244 11.778 1.00 14.37 N ATOM 629 CA SER A 95 10.609 4.782 11.118 1.00 14.48 C ATOM 630 C SER A 95 11.774 3.786 11.013 1.00 14.33 C ATOM 631 O SER A 95 12.603 3.936 10.139 1.00 16.01 O ATOM 632 CB SER A 95 11.059 6.081 11.786 1.00 15.83 C ATOM 633 OG SER A 95 11.386 5.823 13.141 1.00 17.46 O ATOM 0 H SER A 95 9.210 4.641 12.508 1.00 14.37 H new ATOM 0 HA SER A 95 10.340 4.969 10.205 1.00 14.48 H new ATOM 0 HB2 SER A 95 11.828 6.446 11.321 1.00 15.83 H new ATOM 0 HB3 SER A 95 10.354 6.745 11.733 1.00 15.83 H new ATOM 0 HG SER A 95 12.148 6.134 13.310 1.00 17.46 H new ATOM 634 N ILE A 96 11.819 2.762 11.866 1.00 13.99 N ATOM 635 CA ILE A 96 12.904 1.776 11.770 1.00 12.80 C ATOM 636 C ILE A 96 12.452 0.418 11.195 1.00 12.99 C ATOM 637 O ILE A 96 13.215 -0.559 11.224 1.00 13.15 O ATOM 638 CB ILE A 96 13.662 1.571 13.110 1.00 13.91 C ATOM 639 CG1 ILE A 96 12.755 0.929 14.155 1.00 14.10 C ATOM 640 CG2 ILE A 96 14.255 2.911 13.589 1.00 14.13 C ATOM 641 CD1 ILE A 96 13.609 0.221 15.257 1.00 16.67 C ATOM 0 H ILE A 96 11.248 2.619 12.493 1.00 13.99 H new ATOM 0 HA ILE A 96 13.525 2.166 11.135 1.00 12.80 H new ATOM 0 HB ILE A 96 14.400 0.957 12.969 1.00 13.91 H new ATOM 0 HG12 ILE A 96 12.190 1.605 14.560 1.00 14.10 H new ATOM 0 HG13 ILE A 96 12.167 0.285 13.730 1.00 14.10 H new ATOM 0 HG21 ILE A 96 14.727 2.776 14.426 1.00 14.13 H new ATOM 0 HG22 ILE A 96 14.872 3.249 12.921 1.00 14.13 H new ATOM 0 HG23 ILE A 96 13.540 3.553 13.722 1.00 14.13 H new ATOM 0 HD11 ILE A 96 13.020 -0.182 15.914 1.00 16.67 H new ATOM 0 HD12 ILE A 96 14.157 -0.467 14.849 1.00 16.67 H new ATOM 0 HD13 ILE A 96 14.180 0.873 15.693 1.00 16.67 H new ATOM 642 N CYS A 97 11.234 0.357 10.653 1.00 12.37 N ATOM 643 CA CYS A 97 10.782 -0.864 9.993 1.00 12.09 C ATOM 644 C CYS A 97 10.444 -0.501 8.554 1.00 11.86 C ATOM 645 O CYS A 97 9.394 0.054 8.287 1.00 13.47 O ATOM 646 CB CYS A 97 9.543 -1.436 10.681 1.00 13.73 C ATOM 647 SG CYS A 97 9.772 -1.682 12.483 1.00 14.02 S ATOM 0 H CYS A 97 10.664 1.001 10.657 1.00 12.37 H new ATOM 0 HA CYS A 97 11.478 -1.538 10.034 1.00 12.09 H new ATOM 0 HB2 CYS A 97 8.793 -0.839 10.534 1.00 13.73 H new ATOM 0 HB3 CYS A 97 9.314 -2.285 10.270 1.00 13.73 H new ATOM 648 N ALA A 98 11.364 -0.791 7.643 1.00 11.09 N ATOM 649 CA ALA A 98 11.228 -0.370 6.236 1.00 10.76 C ATOM 650 C ALA A 98 10.825 1.111 6.081 1.00 10.64 C ATOM 651 O ALA A 98 9.955 1.441 5.272 1.00 10.99 O ATOM 652 CB ALA A 98 10.282 -1.315 5.481 1.00 11.02 C ATOM 0 H ALA A 98 12.082 -1.233 7.812 1.00 11.09 H new ATOM 0 HA ALA A 98 12.107 -0.436 5.831 1.00 10.76 H new ATOM 0 HB1 ALA A 98 10.203 -1.025 4.559 1.00 11.02 H new ATOM 0 HB2 ALA A 98 10.637 -2.217 5.507 1.00 11.02 H new ATOM 0 HB3 ALA A 98 9.407 -1.300 5.900 1.00 11.02 H new ATOM 653 N ALA A 99 11.475 1.962 6.875 1.00 11.04 N ATOM 654 CA ALA A 99 11.437 3.427 6.670 1.00 11.82 C ATOM 655 C ALA A 99 10.014 3.986 6.546 1.00 11.24 C ATOM 656 O ALA A 99 9.722 4.790 5.635 1.00 10.95 O ATOM 657 CB ALA A 99 12.252 3.796 5.428 1.00 12.44 C ATOM 0 H ALA A 99 11.951 1.715 7.547 1.00 11.04 H new ATOM 0 HA ALA A 99 11.825 3.831 7.462 1.00 11.82 H new ATOM 0 HB1 ALA A 99 12.225 4.757 5.297 1.00 12.44 H new ATOM 0 HB2 ALA A 99 13.172 3.512 5.548 1.00 12.44 H new ATOM 0 HB3 ALA A 99 11.876 3.353 4.651 1.00 12.44 H new ATOM 658 N ASN A 100 9.129 3.587 7.452 1.00 10.53 N ATOM 659 CA ASN A 100 7.729 4.065 7.523 1.00 10.13 C ATOM 660 C ASN A 100 6.814 3.606 6.403 1.00 9.64 C ATOM 661 O ASN A 100 5.664 4.080 6.303 1.00 11.26 O ATOM 662 CB ASN A 100 7.662 5.611 7.610 1.00 10.30 C ATOM 663 CG ASN A 100 7.859 6.137 9.002 1.00 11.54 C ATOM 664 OD1 ASN A 100 7.149 5.745 9.930 1.00 14.39 O ATOM 665 ND2 ASN A 100 8.770 7.092 9.150 1.00 14.19 N ATOM 0 H ASN A 100 9.321 3.015 8.065 1.00 10.53 H new ATOM 0 HA ASN A 100 7.396 3.651 8.335 1.00 10.13 H new ATOM 0 HB2 ASN A 100 8.339 5.991 7.029 1.00 10.30 H new ATOM 0 HB3 ASN A 100 6.802 5.910 7.277 1.00 10.30 H new ATOM 0 HD21 ASN A 100 8.883 7.463 9.917 1.00 14.19 H new ATOM 0 HD22 ASN A 100 9.247 7.339 8.478 1.00 14.19 H new ATOM 666 N ASN A 101 7.284 2.669 5.592 1.00 8.57 N ATOM 667 CA ASN A 101 6.447 2.124 4.546 1.00 9.22 C ATOM 668 C ASN A 101 5.377 1.199 5.099 1.00 10.10 C ATOM 669 O ASN A 101 5.531 0.639 6.210 1.00 11.34 O ATOM 670 CB ASN A 101 7.306 1.425 3.487 1.00 8.55 C ATOM 671 CG ASN A 101 8.008 2.423 2.622 1.00 9.95 C ATOM 672 OD1 ASN A 101 7.340 3.193 1.923 1.00 10.50 O ATOM 673 ND2 ASN A 101 9.306 2.498 2.723 1.00 9.16 N ATOM 0 H ASN A 101 8.078 2.340 5.632 1.00 8.57 H new ATOM 0 HA ASN A 101 5.981 2.861 4.122 1.00 9.22 H new ATOM 0 HB2 ASN A 101 7.958 0.853 3.921 1.00 8.55 H new ATOM 0 HB3 ASN A 101 6.747 0.853 2.938 1.00 8.55 H new ATOM 0 HD21 ASN A 101 9.737 3.104 2.291 1.00 9.16 H new ATOM 0 HD22 ASN A 101 9.731 1.941 3.221 1.00 9.16 H new ATOM 674 N THR A 102 4.306 1.021 4.333 1.00 10.66 N ATOM 675 CA THR A 102 3.259 0.065 4.736 1.00 11.48 C ATOM 676 C THR A 102 2.878 -0.835 3.562 1.00 11.38 C ATOM 677 O THR A 102 3.093 -0.473 2.398 1.00 12.50 O ATOM 678 CB THR A 102 1.997 0.778 5.285 1.00 12.55 C ATOM 679 OG1 THR A 102 1.448 1.631 4.268 1.00 15.22 O ATOM 680 CG2 THR A 102 2.339 1.594 6.547 1.00 13.30 C ATOM 0 H THR A 102 4.161 1.430 3.591 1.00 10.66 H new ATOM 0 HA THR A 102 3.627 -0.476 5.452 1.00 11.48 H new ATOM 0 HB THR A 102 1.338 0.110 5.530 1.00 12.55 H new ATOM 0 HG1 THR A 102 0.763 2.016 4.565 1.00 15.22 H new ATOM 0 HG21 THR A 102 1.539 2.032 6.876 1.00 13.30 H new ATOM 0 HG22 THR A 102 2.687 1.001 7.231 1.00 13.30 H new ATOM 0 HG23 THR A 102 3.007 2.263 6.329 1.00 13.30 H new ATOM 681 N GLY A 103 2.310 -1.996 3.854 1.00 10.59 N ATOM 682 CA GLY A 103 2.039 -2.994 2.838 1.00 10.22 C ATOM 683 C GLY A 103 2.972 -4.162 3.002 1.00 11.02 C ATOM 684 O GLY A 103 3.673 -4.262 4.019 1.00 11.44 O ATOM 0 H GLY A 103 2.071 -2.226 4.648 1.00 10.59 H new ATOM 0 HA2 GLY A 103 1.119 -3.294 2.906 1.00 10.22 H new ATOM 0 HA3 GLY A 103 2.147 -2.606 1.956 1.00 10.22 H new ATOM 685 N VAL A 104 2.964 -5.068 2.022 1.00 10.91 N ATOM 686 CA VAL A 104 3.947 -6.171 2.013 1.00 10.64 C ATOM 687 C VAL A 104 5.157 -5.644 1.226 1.00 10.86 C ATOM 688 O VAL A 104 5.189 -5.672 -0.031 1.00 12.53 O ATOM 689 CB VAL A 104 3.404 -7.441 1.367 1.00 10.65 C ATOM 690 CG1 VAL A 104 4.494 -8.550 1.426 1.00 11.85 C ATOM 691 CG2 VAL A 104 2.136 -7.912 2.094 1.00 11.97 C ATOM 0 H VAL A 104 2.412 -5.069 1.363 1.00 10.91 H new ATOM 0 HA VAL A 104 4.176 -6.422 2.922 1.00 10.64 H new ATOM 0 HB VAL A 104 3.176 -7.257 0.442 1.00 10.65 H new ATOM 0 HG11 VAL A 104 4.154 -9.361 1.016 1.00 11.85 H new ATOM 0 HG12 VAL A 104 5.284 -8.253 0.948 1.00 11.85 H new ATOM 0 HG13 VAL A 104 4.725 -8.728 2.351 1.00 11.85 H new ATOM 0 HG21 VAL A 104 1.802 -8.720 1.673 1.00 11.97 H new ATOM 0 HG22 VAL A 104 2.345 -8.095 3.023 1.00 11.97 H new ATOM 0 HG23 VAL A 104 1.459 -7.219 2.046 1.00 11.97 H new ATOM 692 N TYR A 105 6.110 -5.103 1.958 1.00 10.62 N ATOM 693 CA TYR A 105 7.225 -4.418 1.350 1.00 9.46 C ATOM 694 C TYR A 105 8.254 -5.413 0.872 1.00 10.36 C ATOM 695 O TYR A 105 8.705 -6.281 1.634 1.00 10.24 O ATOM 696 CB TYR A 105 7.800 -3.479 2.404 1.00 9.64 C ATOM 697 CG TYR A 105 9.073 -2.760 2.066 1.00 9.53 C ATOM 698 CD1 TYR A 105 9.058 -1.395 1.831 1.00 11.23 C ATOM 699 CD2 TYR A 105 10.298 -3.435 2.031 1.00 10.63 C ATOM 700 CE1 TYR A 105 10.227 -0.714 1.565 1.00 10.92 C ATOM 701 CE2 TYR A 105 11.471 -2.748 1.771 1.00 11.73 C ATOM 702 CZ TYR A 105 11.414 -1.384 1.533 1.00 13.22 C ATOM 703 OH TYR A 105 12.570 -0.683 1.276 1.00 15.97 O ATOM 0 H TYR A 105 6.128 -5.123 2.818 1.00 10.62 H new ATOM 0 HA TYR A 105 6.945 -3.911 0.572 1.00 9.46 H new ATOM 0 HB2 TYR A 105 7.126 -2.813 2.613 1.00 9.64 H new ATOM 0 HB3 TYR A 105 7.951 -3.993 3.213 1.00 9.64 H new ATOM 0 HD1 TYR A 105 8.251 -0.933 1.853 1.00 11.23 H new ATOM 0 HD2 TYR A 105 10.324 -4.352 2.184 1.00 10.63 H new ATOM 0 HE1 TYR A 105 10.206 0.202 1.407 1.00 10.92 H new ATOM 0 HE2 TYR A 105 12.286 -3.196 1.756 1.00 11.73 H new ATOM 0 HH TYR A 105 12.489 0.104 1.558 1.00 15.97 H new ATOM 704 N ILE A 106 8.610 -5.303 -0.410 1.00 9.57 N ATOM 705 CA ILE A 106 9.579 -6.177 -1.050 1.00 9.84 C ATOM 706 C ILE A 106 10.971 -5.561 -1.031 1.00 10.53 C ATOM 707 O ILE A 106 11.167 -4.414 -1.446 1.00 10.79 O ATOM 708 CB ILE A 106 9.181 -6.437 -2.529 1.00 9.60 C ATOM 709 CG1 ILE A 106 7.780 -7.058 -2.608 1.00 9.94 C ATOM 710 CG2 ILE A 106 10.228 -7.320 -3.212 1.00 10.62 C ATOM 711 CD1 ILE A 106 7.115 -7.044 -4.042 1.00 13.60 C ATOM 0 H ILE A 106 8.286 -4.705 -0.937 1.00 9.57 H new ATOM 0 HA ILE A 106 9.587 -7.010 -0.554 1.00 9.84 H new ATOM 0 HB ILE A 106 9.153 -5.590 -3.001 1.00 9.60 H new ATOM 0 HG12 ILE A 106 7.832 -7.977 -2.301 1.00 9.94 H new ATOM 0 HG13 ILE A 106 7.198 -6.585 -1.993 1.00 9.94 H new ATOM 0 HG21 ILE A 106 9.969 -7.475 -4.134 1.00 10.62 H new ATOM 0 HG22 ILE A 106 11.090 -6.876 -3.189 1.00 10.62 H new ATOM 0 HG23 ILE A 106 10.289 -8.169 -2.746 1.00 10.62 H new ATOM 0 HD11 ILE A 106 6.237 -7.454 -3.996 1.00 13.60 H new ATOM 0 HD12 ILE A 106 7.028 -6.128 -4.349 1.00 13.60 H new ATOM 0 HD13 ILE A 106 7.671 -7.541 -4.662 1.00 13.60 H new ATOM 712 N LEU A 107 11.936 -6.341 -0.558 1.00 11.10 N ATOM 713 CA LEU A 107 13.333 -5.935 -0.516 1.00 12.39 C ATOM 714 C LEU A 107 14.130 -6.594 -1.637 1.00 15.25 C ATOM 715 O LEU A 107 14.060 -7.812 -1.781 1.00 16.52 O ATOM 716 CB LEU A 107 13.924 -6.370 0.835 1.00 13.04 C ATOM 717 CG LEU A 107 15.381 -5.982 1.044 1.00 12.39 C ATOM 718 CD1 LEU A 107 15.515 -4.492 1.342 1.00 12.82 C ATOM 719 CD2 LEU A 107 15.977 -6.822 2.174 1.00 14.07 C ATOM 0 H LEU A 107 11.795 -7.131 -0.249 1.00 11.10 H new ATOM 0 HA LEU A 107 13.384 -4.973 -0.627 1.00 12.39 H new ATOM 0 HB2 LEU A 107 13.393 -5.981 1.547 1.00 13.04 H new ATOM 0 HB3 LEU A 107 13.844 -7.333 0.915 1.00 13.04 H new ATOM 0 HG LEU A 107 15.873 -6.159 0.227 1.00 12.39 H new ATOM 0 HD11 LEU A 107 16.451 -4.270 1.471 1.00 12.82 H new ATOM 0 HD12 LEU A 107 15.161 -3.980 0.598 1.00 12.82 H new ATOM 0 HD13 LEU A 107 15.018 -4.277 2.147 1.00 12.82 H new ATOM 0 HD21 LEU A 107 16.905 -6.574 2.307 1.00 14.07 H new ATOM 0 HD22 LEU A 107 15.480 -6.663 2.992 1.00 14.07 H new ATOM 0 HD23 LEU A 107 15.924 -7.762 1.941 1.00 14.07 H new ATOM 720 N THR A 108 14.893 -5.787 -2.387 1.00 18.61 N ATOM 721 CA THR A 108 16.040 -6.263 -3.193 1.00 22.99 C ATOM 722 C THR A 108 17.397 -5.702 -2.702 1.00 24.54 C ATOM 723 O THR A 108 17.738 -4.494 -2.872 1.00 26.02 O ATOM 724 CB THR A 108 15.919 -5.980 -4.707 1.00 22.65 C ATOM 725 OG1 THR A 108 17.120 -6.473 -5.336 1.00 29.24 O ATOM 726 CG2 THR A 108 15.772 -4.530 -4.986 1.00 21.53 C ATOM 0 H THR A 108 14.761 -4.939 -2.445 1.00 18.61 H new ATOM 0 HA THR A 108 16.014 -7.224 -3.062 1.00 22.99 H new ATOM 0 HB THR A 108 15.128 -6.421 -5.054 1.00 22.65 H new ATOM 0 HG1 THR A 108 17.081 -6.333 -6.163 1.00 29.24 H new ATOM 0 HG21 THR A 108 15.699 -4.390 -5.943 1.00 21.53 H new ATOM 0 HG22 THR A 108 14.973 -4.196 -4.549 1.00 21.53 H new ATOM 0 HG23 THR A 108 16.548 -4.055 -4.649 1.00 21.53 H new ATOM 727 N SER A 109 18.188 -6.602 -2.131 1.00 25.97 N ATOM 728 CA SER A 109 19.554 -6.282 -1.720 1.00 27.06 C ATOM 729 C SER A 109 20.514 -7.305 -2.354 1.00 28.06 C ATOM 730 O SER A 109 20.142 -8.021 -3.288 1.00 28.02 O ATOM 731 CB SER A 109 19.650 -6.223 -0.183 1.00 26.92 C ATOM 732 OG SER A 109 20.988 -5.982 0.260 1.00 27.85 O ATOM 0 H SER A 109 17.952 -7.413 -1.970 1.00 25.97 H new ATOM 0 HA SER A 109 19.813 -5.402 -2.037 1.00 27.06 H new ATOM 0 HB2 SER A 109 19.068 -5.522 0.150 1.00 26.92 H new ATOM 0 HB3 SER A 109 19.331 -7.058 0.193 1.00 26.92 H new ATOM 0 HG SER A 109 21.113 -5.155 0.337 1.00 27.85 H new ATOM 733 N ASN A 110 21.751 -7.370 -1.874 1.00 28.65 N ATOM 734 CA ASN A 110 22.696 -8.364 -2.403 1.00 28.94 C ATOM 735 C ASN A 110 23.177 -9.392 -1.373 1.00 28.49 C ATOM 736 O ASN A 110 24.141 -10.128 -1.631 1.00 29.16 O ATOM 737 CB ASN A 110 23.906 -7.663 -3.058 1.00 29.10 C ATOM 738 CG ASN A 110 24.750 -6.861 -2.056 1.00 30.47 C ATOM 739 OD1 ASN A 110 24.279 -6.486 -0.976 1.00 31.81 O ATOM 740 ND2 ASN A 110 26.004 -6.602 -2.418 1.00 31.34 N ATOM 0 H ASN A 110 22.064 -6.862 -1.255 1.00 28.65 H new ATOM 0 HA ASN A 110 22.199 -8.866 -3.067 1.00 28.94 H new ATOM 0 HB2 ASN A 110 24.467 -8.329 -3.485 1.00 29.10 H new ATOM 0 HB3 ASN A 110 23.590 -7.068 -3.756 1.00 29.10 H new ATOM 0 HD21 ASN A 110 26.520 -6.158 -1.893 1.00 31.34 H new ATOM 0 HD22 ASN A 110 26.298 -6.879 -3.177 1.00 31.34 H new ATOM 741 N THR A 111 22.514 -9.442 -0.214 1.00 27.41 N ATOM 742 CA THR A 111 22.877 -10.426 0.816 1.00 26.29 C ATOM 743 C THR A 111 21.936 -11.624 0.774 1.00 24.83 C ATOM 744 O THR A 111 20.910 -11.607 0.079 1.00 26.27 O ATOM 745 CB THR A 111 22.965 -9.827 2.226 1.00 26.29 C ATOM 746 OG1 THR A 111 21.732 -9.185 2.554 1.00 29.24 O ATOM 747 CG2 THR A 111 24.136 -8.821 2.311 1.00 27.16 C ATOM 0 H THR A 111 21.860 -8.924 -0.005 1.00 27.41 H new ATOM 0 HA THR A 111 23.773 -10.730 0.604 1.00 26.29 H new ATOM 0 HB THR A 111 23.129 -10.540 2.863 1.00 26.29 H new ATOM 0 HG1 THR A 111 21.421 -9.519 3.259 1.00 29.24 H new ATOM 0 HG21 THR A 111 24.180 -8.450 3.206 1.00 27.16 H new ATOM 0 HG22 THR A 111 24.969 -9.275 2.108 1.00 27.16 H new ATOM 0 HG23 THR A 111 23.995 -8.105 1.672 1.00 27.16 H new ATOM 748 N ASER A 112 22.257 -12.654 1.529 0.50 23.63 N ATOM 749 N BSER A 112 22.282 -12.657 1.542 0.50 23.29 N ATOM 750 CA ASER A 112 21.533 -13.879 1.339 0.50 22.48 C ATOM 751 CA BSER A 112 21.712 -13.992 1.354 0.50 21.68 C ATOM 752 C ASER A 112 20.652 -14.230 2.502 0.50 20.33 C ATOM 753 C BSER A 112 20.956 -14.560 2.551 0.50 19.79 C ATOM 754 O ASER A 112 19.565 -14.758 2.287 0.50 21.29 O ATOM 755 O BSER A 112 20.264 -15.580 2.419 0.50 19.02 O ATOM 756 CB ASER A 112 22.501 -15.007 1.018 0.50 22.69 C ATOM 757 CB BSER A 112 22.813 -14.982 0.955 0.50 22.04 C ATOM 758 OG ASER A 112 23.382 -14.555 0.011 0.50 24.45 O ATOM 759 OG BSER A 112 23.610 -15.349 2.074 0.50 21.91 O ATOM 0 H ASER A 112 22.868 -12.664 2.134 0.50 23.29 H new ATOM 0 H BSER A 112 22.851 -12.604 2.184 0.50 23.29 H new ATOM 0 HA ASER A 112 20.935 -13.747 0.587 0.50 21.68 H new ATOM 0 HA BSER A 112 21.053 -13.878 0.651 0.50 21.68 H new ATOM 0 HB2ASER A 112 22.997 -15.264 1.811 0.50 22.04 H new ATOM 0 HB2BSER A 112 22.412 -15.775 0.567 0.50 22.04 H new ATOM 0 HB3ASER A 112 22.018 -15.793 0.718 0.50 22.04 H new ATOM 0 HB3BSER A 112 23.375 -14.585 0.271 0.50 22.04 H new ATOM 0 HG ASER A 112 23.927 -15.165 -0.179 0.50 21.91 H new ATOM 0 HG BSER A 112 24.203 -15.891 1.830 0.50 21.91 H new ATOM 760 N GLN A 113 21.110 -13.952 3.724 1.00 18.17 N ATOM 761 CA GLN A 113 20.410 -14.515 4.891 1.00 14.93 C ATOM 762 C GLN A 113 19.439 -13.569 5.527 1.00 12.04 C ATOM 763 O GLN A 113 19.766 -12.411 5.807 1.00 11.50 O ATOM 764 CB GLN A 113 21.379 -15.098 5.914 1.00 15.35 C ATOM 765 CG GLN A 113 22.263 -16.186 5.299 1.00 19.45 C ATOM 766 CD GLN A 113 22.953 -16.990 6.351 1.00 24.27 C ATOM 767 OE1 GLN A 113 23.273 -16.481 7.430 1.00 27.15 O ATOM 768 NE2 GLN A 113 23.203 -18.247 6.053 1.00 28.92 N ATOM 0 H AGLN A 113 21.794 -13.462 3.900 0.50 18.17 H new ATOM 0 H BGLN A 113 21.586 -13.251 3.869 0.50 18.17 H new ATOM 0 HA GLN A 113 19.876 -15.245 4.541 1.00 14.93 H new ATOM 0 HB2 GLN A 113 21.938 -14.390 6.271 1.00 15.35 H new ATOM 0 HB3 GLN A 113 20.880 -15.469 6.659 1.00 15.35 H new ATOM 0 HG2 GLN A 113 21.721 -16.771 4.747 1.00 19.45 H new ATOM 0 HG3 GLN A 113 22.923 -15.778 4.717 1.00 19.45 H new ATOM 0 HE21 GLN A 113 22.964 -18.564 5.290 1.00 28.92 H new ATOM 0 HE22 GLN A 113 23.606 -18.752 6.621 1.00 28.92 H new ATOM 769 N TYR A 114 18.233 -14.087 5.772 1.00 10.72 N ATOM 770 CA TYR A 114 17.170 -13.294 6.411 1.00 9.84 C ATOM 771 C TYR A 114 16.469 -14.187 7.406 1.00 10.50 C ATOM 772 O TYR A 114 17.045 -15.190 7.833 1.00 10.36 O ATOM 773 CB TYR A 114 16.203 -12.752 5.336 1.00 9.30 C ATOM 774 CG TYR A 114 16.888 -11.819 4.364 1.00 11.97 C ATOM 775 CD1 TYR A 114 17.091 -10.491 4.685 1.00 11.85 C ATOM 776 CD2 TYR A 114 17.337 -12.295 3.117 1.00 11.51 C ATOM 777 CE1 TYR A 114 17.739 -9.624 3.777 1.00 13.45 C ATOM 778 CE2 TYR A 114 17.972 -11.418 2.196 1.00 14.57 C ATOM 779 CZ TYR A 114 18.143 -10.102 2.554 1.00 15.78 C ATOM 780 OH TYR A 114 18.755 -9.217 1.695 1.00 18.73 O ATOM 0 H TYR A 114 18.007 -14.894 5.577 1.00 10.72 H new ATOM 0 HA TYR A 114 17.534 -12.525 6.876 1.00 9.84 H new ATOM 0 HB2 TYR A 114 15.816 -13.496 4.848 1.00 9.30 H new ATOM 0 HB3 TYR A 114 15.471 -12.284 5.769 1.00 9.30 H new ATOM 0 HD1 TYR A 114 16.799 -10.165 5.505 1.00 11.85 H new ATOM 0 HD2 TYR A 114 17.217 -13.190 2.894 1.00 11.51 H new ATOM 0 HE1 TYR A 114 17.891 -8.735 4.006 1.00 13.45 H new ATOM 0 HE2 TYR A 114 18.265 -11.728 1.370 1.00 14.57 H new ATOM 0 HH TYR A 114 19.572 -9.165 1.881 1.00 18.73 H new ATOM 781 N ASP A 115 15.269 -13.801 7.832 1.00 9.67 N ATOM 782 CA ASP A 115 14.383 -14.738 8.522 1.00 8.67 C ATOM 783 C ASP A 115 13.526 -15.481 7.497 1.00 9.36 C ATOM 784 O ASP A 115 13.819 -15.442 6.289 1.00 10.08 O ATOM 785 CB ASP A 115 13.488 -13.986 9.528 1.00 8.97 C ATOM 786 CG ASP A 115 14.270 -13.274 10.629 1.00 9.59 C ATOM 787 OD1 ASP A 115 15.472 -13.526 10.872 1.00 10.60 O ATOM 788 OD2 ASP A 115 13.626 -12.423 11.258 1.00 9.82 O ATOM 0 H ASP A 115 14.950 -13.008 7.733 1.00 9.67 H new ATOM 0 HA ASP A 115 14.919 -15.381 9.012 1.00 8.67 H new ATOM 0 HB2 ASP A 115 12.953 -13.334 9.049 1.00 8.97 H new ATOM 0 HB3 ASP A 115 12.872 -14.615 9.935 1.00 8.97 H new ATOM 789 N THR A 116 12.504 -16.192 7.944 1.00 8.93 N ATOM 790 CA THR A 116 11.521 -16.740 6.985 1.00 9.43 C ATOM 791 C THR A 116 10.102 -16.596 7.459 1.00 11.00 C ATOM 792 O THR A 116 9.845 -16.501 8.657 1.00 10.02 O ATOM 793 CB THR A 116 11.811 -18.213 6.597 1.00 10.44 C ATOM 794 OG1 THR A 116 11.031 -18.560 5.429 1.00 11.82 O ATOM 795 CG2 THR A 116 11.474 -19.192 7.708 1.00 11.35 C ATOM 0 H THR A 116 12.352 -16.372 8.771 1.00 8.93 H new ATOM 0 HA THR A 116 11.624 -16.199 6.186 1.00 9.43 H new ATOM 0 HB THR A 116 12.763 -18.279 6.422 1.00 10.44 H new ATOM 0 HG1 THR A 116 10.228 -18.671 5.651 1.00 11.82 H new ATOM 0 HG21 THR A 116 11.673 -20.095 7.415 1.00 11.35 H new ATOM 0 HG22 THR A 116 12.002 -18.984 8.494 1.00 11.35 H new ATOM 0 HG23 THR A 116 10.531 -19.123 7.925 1.00 11.35 H new ATOM 796 N TYR A 117 9.191 -16.524 6.495 1.00 9.61 N ATOM 797 CA TYR A 117 7.786 -16.715 6.765 1.00 9.71 C ATOM 798 C TYR A 117 7.395 -18.096 6.313 1.00 10.22 C ATOM 799 O TYR A 117 8.058 -18.696 5.473 1.00 11.04 O ATOM 800 CB TYR A 117 6.924 -15.626 6.087 1.00 8.64 C ATOM 801 CG TYR A 117 7.314 -14.291 6.611 1.00 8.32 C ATOM 802 CD1 TYR A 117 6.760 -13.794 7.777 1.00 9.02 C ATOM 803 CD2 TYR A 117 8.256 -13.501 5.926 1.00 9.31 C ATOM 804 CE1 TYR A 117 7.168 -12.566 8.304 1.00 8.77 C ATOM 805 CE2 TYR A 117 8.670 -12.249 6.440 1.00 9.58 C ATOM 806 CZ TYR A 117 8.098 -11.799 7.641 1.00 10.13 C ATOM 807 OH TYR A 117 8.475 -10.605 8.218 1.00 12.81 O ATOM 0 H TYR A 117 9.376 -16.363 5.671 1.00 9.61 H new ATOM 0 HA TYR A 117 7.626 -16.632 7.718 1.00 9.71 H new ATOM 0 HB2 TYR A 117 7.046 -15.655 5.125 1.00 8.64 H new ATOM 0 HB3 TYR A 117 5.984 -15.790 6.259 1.00 8.64 H new ATOM 0 HD1 TYR A 117 6.105 -14.286 8.218 1.00 9.02 H new ATOM 0 HD2 TYR A 117 8.612 -13.806 5.123 1.00 9.31 H new ATOM 0 HE1 TYR A 117 6.809 -12.265 9.107 1.00 8.77 H new ATOM 0 HE2 TYR A 117 9.305 -11.737 5.993 1.00 9.58 H new ATOM 0 HH TYR A 117 9.267 -10.428 8.003 1.00 12.81 H new ATOM 808 N CYS A 118 6.331 -18.605 6.909 1.00 10.55 N ATOM 809 CA CYS A 118 5.776 -19.910 6.552 1.00 11.70 C ATOM 810 C CYS A 118 4.268 -19.834 6.577 1.00 11.33 C ATOM 811 O CYS A 118 3.686 -18.990 7.273 1.00 12.13 O ATOM 812 CB CYS A 118 6.222 -20.997 7.556 1.00 12.07 C ATOM 813 SG CYS A 118 8.005 -21.299 7.657 1.00 15.60 S ATOM 0 H CYS A 118 5.903 -18.204 7.538 1.00 10.55 H new ATOM 0 HA CYS A 118 6.097 -20.143 5.667 1.00 11.70 H new ATOM 0 HB2 CYS A 118 5.903 -20.748 8.438 1.00 12.07 H new ATOM 0 HB3 CYS A 118 5.784 -21.830 7.320 1.00 12.07 H new ATOM 814 N PHE A 119 3.654 -20.716 5.795 1.00 11.78 N ATOM 815 CA PHE A 119 2.211 -20.833 5.740 1.00 12.11 C ATOM 816 C PHE A 119 1.755 -22.248 6.019 1.00 12.85 C ATOM 817 O PHE A 119 2.180 -23.181 5.347 1.00 13.31 O ATOM 818 CB PHE A 119 1.716 -20.421 4.335 1.00 12.13 C ATOM 819 CG PHE A 119 0.263 -20.708 4.109 1.00 12.99 C ATOM 820 CD1 PHE A 119 -0.711 -19.820 4.557 1.00 12.82 C ATOM 821 CD2 PHE A 119 -0.130 -21.897 3.459 1.00 13.83 C ATOM 822 CE1 PHE A 119 -2.103 -20.128 4.367 1.00 12.06 C ATOM 823 CE2 PHE A 119 -1.492 -22.197 3.263 1.00 15.58 C ATOM 824 CZ PHE A 119 -2.472 -21.312 3.723 1.00 12.88 C ATOM 0 H PHE A 119 4.070 -21.265 5.280 1.00 11.78 H new ATOM 0 HA PHE A 119 1.840 -20.250 6.421 1.00 12.11 H new ATOM 0 HB2 PHE A 119 1.875 -19.473 4.209 1.00 12.13 H new ATOM 0 HB3 PHE A 119 2.239 -20.888 3.665 1.00 12.13 H new ATOM 0 HD1 PHE A 119 -0.462 -19.029 4.978 1.00 12.82 H new ATOM 0 HD2 PHE A 119 0.519 -22.490 3.156 1.00 13.83 H new ATOM 0 HE1 PHE A 119 -2.756 -19.540 4.672 1.00 12.06 H new ATOM 0 HE2 PHE A 119 -1.739 -22.982 2.829 1.00 15.58 H new ATOM 0 HZ PHE A 119 -3.372 -21.512 3.600 1.00 12.88 H new ATOM 825 N ASN A 120 0.871 -22.387 7.000 1.00 13.44 N ATOM 826 CA ASN A 120 0.289 -23.681 7.342 1.00 16.05 C ATOM 827 C ASN A 120 -1.188 -23.740 6.968 1.00 15.90 C ATOM 828 O ASN A 120 -1.998 -22.948 7.452 1.00 16.34 O ATOM 829 CB ASN A 120 0.490 -23.914 8.835 1.00 15.35 C ATOM 830 CG ASN A 120 -0.010 -25.268 9.275 1.00 19.28 C ATOM 831 OD1 ASN A 120 -1.165 -25.405 9.614 1.00 22.73 O ATOM 832 ND2 ASN A 120 0.869 -26.273 9.274 1.00 21.00 N ATOM 0 H ASN A 120 0.591 -21.735 7.486 1.00 13.44 H new ATOM 0 HA ASN A 120 0.731 -24.382 6.838 1.00 16.05 H new ATOM 0 HB2 ASN A 120 1.433 -23.834 9.049 1.00 15.35 H new ATOM 0 HB3 ASN A 120 0.027 -23.223 9.333 1.00 15.35 H new ATOM 0 HD21 ASN A 120 0.624 -27.059 9.521 1.00 21.00 H new ATOM 0 HD22 ASN A 120 1.681 -26.134 9.026 1.00 21.00 H new ATOM 833 N ALA A 121 -1.507 -24.683 6.088 1.00 17.47 N ATOM 834 CA ALA A 121 -2.851 -24.820 5.496 1.00 19.87 C ATOM 835 C ALA A 121 -3.894 -25.293 6.505 1.00 20.95 C ATOM 836 O ALA A 121 -5.087 -25.059 6.304 1.00 21.92 O ATOM 837 CB ALA A 121 -2.797 -25.757 4.313 1.00 19.41 C ATOM 0 H ALA A 121 -0.947 -25.273 5.809 1.00 17.47 H new ATOM 0 HA ALA A 121 -3.129 -23.938 5.202 1.00 19.87 H new ATOM 0 HB1 ALA A 121 -3.683 -25.843 3.928 1.00 19.41 H new ATOM 0 HB2 ALA A 121 -2.188 -25.402 3.646 1.00 19.41 H new ATOM 0 HB3 ALA A 121 -2.485 -26.628 4.604 1.00 19.41 H new ATOM 838 N SER A 122 -3.440 -25.926 7.588 1.00 22.00 N ATOM 839 CA SER A 122 -4.315 -26.459 8.626 1.00 23.53 C ATOM 840 C SER A 122 -4.694 -25.447 9.699 1.00 23.42 C ATOM 841 O SER A 122 -5.591 -25.701 10.519 1.00 24.61 O ATOM 842 CB SER A 122 -3.652 -27.657 9.300 1.00 23.65 C ATOM 843 OG SER A 122 -3.514 -28.709 8.369 1.00 28.07 O ATOM 0 H SER A 122 -2.604 -26.058 7.740 1.00 22.00 H new ATOM 0 HA SER A 122 -5.134 -26.714 8.173 1.00 23.53 H new ATOM 0 HB2 SER A 122 -2.782 -27.404 9.647 1.00 23.65 H new ATOM 0 HB3 SER A 122 -4.185 -27.950 10.056 1.00 23.65 H new ATOM 0 HG SER A 122 -3.148 -29.367 8.741 1.00 28.07 H new ATOM 844 N ALA A 123 -4.013 -24.301 9.716 1.00 22.67 N ATOM 845 CA ALA A 123 -4.301 -23.270 10.702 1.00 22.63 C ATOM 846 C ALA A 123 -5.672 -22.636 10.479 1.00 23.50 C ATOM 847 O ALA A 123 -6.194 -22.663 9.359 1.00 23.32 O ATOM 848 CB ALA A 123 -3.207 -22.201 10.695 1.00 22.16 C ATOM 0 H ALA A 123 -3.382 -24.105 9.165 1.00 22.67 H new ATOM 0 HA ALA A 123 -4.317 -23.697 11.573 1.00 22.63 H new ATOM 0 HB1 ALA A 123 -3.413 -21.522 11.356 1.00 22.16 H new ATOM 0 HB2 ALA A 123 -2.353 -22.610 10.907 1.00 22.16 H new ATOM 0 HB3 ALA A 123 -3.160 -21.792 9.817 1.00 22.16 H new ATOM 849 N PRO A 124 -6.266 -22.063 11.539 1.00 24.76 N ATOM 850 CA PRO A 124 -7.559 -21.409 11.354 1.00 26.15 C ATOM 851 C PRO A 124 -7.415 -20.088 10.594 1.00 27.16 C ATOM 852 O PRO A 124 -6.297 -19.573 10.464 1.00 26.68 O ATOM 853 CB PRO A 124 -8.045 -21.168 12.789 1.00 26.19 C ATOM 854 CG PRO A 124 -6.837 -21.088 13.597 1.00 26.28 C ATOM 855 CD PRO A 124 -5.817 -22.011 12.943 1.00 25.02 C ATOM 0 HA PRO A 124 -8.176 -21.942 10.828 1.00 26.15 H new ATOM 0 HB2 PRO A 124 -8.562 -20.349 12.850 1.00 26.19 H new ATOM 0 HB3 PRO A 124 -8.620 -21.889 13.089 1.00 26.19 H new ATOM 0 HG2 PRO A 124 -6.505 -20.177 13.633 1.00 26.28 H new ATOM 0 HG3 PRO A 124 -7.014 -21.361 14.511 1.00 26.28 H new ATOM 0 HD2 PRO A 124 -4.916 -21.661 13.019 1.00 25.02 H new ATOM 0 HD3 PRO A 124 -5.815 -22.891 13.352 1.00 25.02 H new ATOM 856 N PRO A 125 -8.532 -19.544 10.073 1.00 27.77 N ATOM 857 CA PRO A 125 -8.471 -18.290 9.316 1.00 27.99 C ATOM 858 C PRO A 125 -7.997 -17.090 10.121 1.00 27.71 C ATOM 859 O PRO A 125 -7.401 -16.175 9.547 1.00 28.69 O ATOM 860 CB PRO A 125 -9.935 -18.063 8.903 1.00 28.26 C ATOM 861 CG PRO A 125 -10.521 -19.386 8.879 1.00 28.88 C ATOM 862 CD PRO A 125 -9.882 -20.135 10.020 1.00 28.35 C ATOM 0 HA PRO A 125 -7.833 -18.366 8.589 1.00 27.99 H new ATOM 0 HB2 PRO A 125 -10.393 -17.486 9.534 1.00 28.26 H new ATOM 0 HB3 PRO A 125 -9.994 -17.636 8.034 1.00 28.26 H new ATOM 0 HG2 PRO A 125 -11.484 -19.343 8.986 1.00 28.88 H new ATOM 0 HG3 PRO A 125 -10.350 -19.828 8.033 1.00 28.88 H new ATOM 0 HD2 PRO A 125 -10.365 -20.007 10.851 1.00 28.35 H new ATOM 0 HD3 PRO A 125 -9.852 -21.090 9.853 1.00 28.35 H new ATOM 863 N GLU A 126 -8.258 -17.087 11.425 1.00 27.18 N ATOM 864 CA GLU A 126 -7.979 -15.925 12.256 1.00 27.09 C ATOM 865 C GLU A 126 -6.570 -16.007 12.846 1.00 25.64 C ATOM 866 O GLU A 126 -5.734 -16.757 12.328 1.00 26.75 O ATOM 867 CB GLU A 126 -9.030 -15.802 13.373 1.00 28.03 C ATOM 868 CG GLU A 126 -10.491 -16.005 12.916 1.00 32.39 C ATOM 869 CD GLU A 126 -11.011 -17.429 13.177 1.00 37.96 C ATOM 870 OE1 GLU A 126 -12.221 -17.564 13.494 1.00 41.51 O ATOM 871 OE2 GLU A 126 -10.226 -18.408 13.083 1.00 36.25 O ATOM 0 H GLU A 126 -8.599 -17.753 11.848 1.00 27.18 H new ATOM 0 HA GLU A 126 -8.027 -15.131 11.700 1.00 27.09 H new ATOM 0 HB2 GLU A 126 -8.827 -16.453 14.063 1.00 28.03 H new ATOM 0 HB3 GLU A 126 -8.951 -14.924 13.779 1.00 28.03 H new ATOM 0 HG2 GLU A 126 -11.060 -15.369 13.377 1.00 32.39 H new ATOM 0 HG3 GLU A 126 -10.558 -15.810 11.968 1.00 32.39 H new ATOM 872 N GLU A 127 -6.303 -15.220 13.885 1.00 23.67 N ATOM 873 CA GLU A 127 -5.051 -15.309 14.638 1.00 22.64 C ATOM 874 C GLU A 127 -5.066 -16.525 15.556 1.00 22.10 C ATOM 875 O GLU A 127 -6.019 -16.726 16.308 1.00 22.02 O ATOM 876 CB GLU A 127 -4.819 -14.045 15.471 1.00 23.05 C ATOM 877 CG GLU A 127 -3.527 -14.086 16.298 1.00 23.80 C ATOM 878 CD GLU A 127 -3.290 -12.826 17.114 1.00 27.57 C ATOM 879 OE1 GLU A 127 -4.131 -11.897 17.071 1.00 30.87 O ATOM 880 OE2 GLU A 127 -2.244 -12.753 17.797 1.00 29.70 O ATOM 0 H GLU A 127 -6.843 -14.617 14.175 1.00 23.67 H new ATOM 0 HA GLU A 127 -4.328 -15.398 13.998 1.00 22.64 H new ATOM 0 HB2 GLU A 127 -4.792 -13.277 14.879 1.00 23.05 H new ATOM 0 HB3 GLU A 127 -5.573 -13.917 16.068 1.00 23.05 H new ATOM 0 HG2 GLU A 127 -3.558 -14.849 16.896 1.00 23.80 H new ATOM 0 HG3 GLU A 127 -2.774 -14.223 15.702 1.00 23.80 H new ATOM 881 N ASP A 128 -4.019 -17.332 15.480 1.00 20.27 N ATOM 882 CA ASP A 128 -3.898 -18.530 16.303 1.00 19.95 C ATOM 883 C ASP A 128 -2.578 -18.454 17.065 1.00 20.47 C ATOM 884 O ASP A 128 -1.504 -18.496 16.465 1.00 18.97 O ATOM 885 CB ASP A 128 -3.959 -19.779 15.423 1.00 20.36 C ATOM 886 CG ASP A 128 -3.823 -21.073 16.214 1.00 22.17 C ATOM 887 OD1 ASP A 128 -3.930 -21.021 17.459 1.00 23.59 O ATOM 888 OD2 ASP A 128 -3.616 -22.123 15.578 1.00 26.95 O ATOM 0 H ASP A 128 -3.355 -17.202 14.949 1.00 20.27 H new ATOM 0 HA ASP A 128 -4.631 -18.584 16.936 1.00 19.95 H new ATOM 0 HB2 ASP A 128 -4.801 -19.788 14.941 1.00 20.36 H new ATOM 0 HB3 ASP A 128 -3.253 -19.736 14.760 1.00 20.36 H new ATOM 889 N CYS A 129 -2.684 -18.362 18.394 1.00 20.61 N ATOM 890 CA CYS A 129 -1.517 -18.321 19.283 1.00 22.16 C ATOM 891 C CYS A 129 -1.288 -19.608 20.083 1.00 21.55 C ATOM 892 O CYS A 129 -0.510 -19.603 21.060 1.00 22.74 O ATOM 893 CB CYS A 129 -1.610 -17.151 20.244 1.00 22.81 C ATOM 894 SG CYS A 129 -1.425 -15.550 19.434 1.00 26.94 S ATOM 0 H CYS A 129 -3.437 -18.321 18.807 1.00 20.61 H new ATOM 0 HA CYS A 129 -0.756 -18.217 18.691 1.00 22.16 H new ATOM 0 HB2 CYS A 129 -2.467 -17.180 20.698 1.00 22.81 H new ATOM 0 HB3 CYS A 129 -0.925 -17.244 20.925 1.00 22.81 H new ATOM 895 N THR A 130 -1.923 -20.692 19.653 1.00 21.92 N ATOM 896 CA THR A 130 -1.704 -22.014 20.237 1.00 21.80 C ATOM 897 C THR A 130 -0.205 -22.302 20.293 1.00 21.11 C ATOM 898 O THR A 130 0.535 -22.036 19.341 1.00 20.85 O ATOM 899 CB THR A 130 -2.418 -23.096 19.399 1.00 22.41 C ATOM 900 OG1 THR A 130 -3.819 -22.816 19.411 1.00 25.73 O ATOM 901 CG2 THR A 130 -2.204 -24.517 19.968 1.00 25.21 C ATOM 0 H THR A 130 -2.496 -20.683 19.012 1.00 21.92 H new ATOM 0 HA THR A 130 -2.070 -22.029 21.135 1.00 21.80 H new ATOM 0 HB THR A 130 -2.048 -23.074 18.503 1.00 22.41 H new ATOM 0 HG1 THR A 130 -3.982 -22.177 18.891 1.00 25.73 H new ATOM 0 HG21 THR A 130 -2.669 -25.162 19.412 1.00 25.21 H new ATOM 0 HG22 THR A 130 -1.256 -24.723 19.978 1.00 25.21 H new ATOM 0 HG23 THR A 130 -2.553 -24.560 20.872 1.00 25.21 H new ATOM 902 N ASER A 131 0.234 -22.854 21.416 0.50 20.33 N ATOM 903 N BSER A 131 0.248 -22.839 21.422 0.50 20.55 N ATOM 904 CA ASER A 131 1.622 -23.237 21.597 0.50 19.61 C ATOM 905 CA BSER A 131 1.647 -23.213 21.572 0.50 20.04 C ATOM 906 C ASER A 131 2.086 -24.246 20.540 0.50 19.66 C ATOM 907 C BSER A 131 2.086 -24.238 20.535 0.50 19.91 C ATOM 908 O ASER A 131 1.448 -25.277 20.332 0.50 19.92 O ATOM 909 O BSER A 131 1.438 -25.264 20.339 0.50 20.16 O ATOM 910 CB ASER A 131 1.776 -23.833 23.002 0.50 19.75 C ATOM 911 CB BSER A 131 1.895 -23.756 22.984 0.50 20.38 C ATOM 912 OG ASER A 131 3.114 -23.748 23.434 0.50 18.79 O ATOM 913 OG BSER A 131 1.920 -22.697 23.913 0.50 20.96 O ATOM 0 H ASER A 131 -0.268 -23.017 22.095 0.50 20.55 H new ATOM 0 H BSER A 131 -0.240 -22.994 22.113 0.50 20.55 H new ATOM 0 HA ASER A 131 2.179 -22.449 21.495 0.50 20.04 H new ATOM 0 HA BSER A 131 2.177 -22.413 21.430 0.50 20.04 H new ATOM 0 HB2ASER A 131 1.200 -23.361 23.624 0.50 20.38 H new ATOM 0 HB2BSER A 131 1.199 -24.388 23.222 0.50 20.38 H new ATOM 0 HB3ASER A 131 1.491 -24.760 22.998 0.50 20.38 H new ATOM 0 HB3BSER A 131 2.736 -24.238 23.010 0.50 20.38 H new ATOM 0 HG ASER A 131 3.251 -22.992 23.774 0.50 20.96 H new ATOM 0 HG BSER A 131 2.717 -22.507 24.100 0.50 20.96 H new ATOM 914 N VAL A 132 3.193 -23.936 19.864 1.00 19.19 N ATOM 915 CA VAL A 132 3.815 -24.857 18.907 1.00 18.93 C ATOM 916 C VAL A 132 4.819 -25.652 19.741 1.00 19.10 C ATOM 917 O VAL A 132 5.724 -25.070 20.357 1.00 18.95 O ATOM 918 CB VAL A 132 4.515 -24.084 17.753 1.00 19.43 C ATOM 919 CG1 VAL A 132 5.238 -25.031 16.782 1.00 18.96 C ATOM 920 CG2 VAL A 132 3.494 -23.199 17.006 1.00 20.24 C ATOM 0 H AVAL A 132 3.605 -23.186 19.947 0.50 19.19 H new ATOM 0 H BVAL A 132 3.609 -23.188 19.949 0.50 19.19 H new ATOM 0 HA VAL A 132 3.166 -25.432 18.473 1.00 18.93 H new ATOM 0 HB VAL A 132 5.193 -23.513 18.148 1.00 19.43 H new ATOM 0 HG11 VAL A 132 5.660 -24.513 16.079 1.00 18.96 H new ATOM 0 HG12 VAL A 132 5.914 -25.534 17.263 1.00 18.96 H new ATOM 0 HG13 VAL A 132 4.597 -25.644 16.390 1.00 18.96 H new ATOM 0 HG21 VAL A 132 3.942 -22.722 16.290 1.00 20.24 H new ATOM 0 HG22 VAL A 132 2.793 -23.757 16.634 1.00 20.24 H new ATOM 0 HG23 VAL A 132 3.105 -22.561 17.624 1.00 20.24 H new ATOM 921 N THR A 133 4.635 -26.968 19.778 1.00 19.25 N ATOM 922 CA THR A 133 5.381 -27.815 20.734 1.00 19.43 C ATOM 923 C THR A 133 6.514 -28.615 20.095 1.00 19.57 C ATOM 924 O THR A 133 7.291 -29.302 20.802 1.00 19.96 O ATOM 925 CB THR A 133 4.434 -28.803 21.446 1.00 19.70 C ATOM 926 OG1 THR A 133 3.942 -29.747 20.487 1.00 20.94 O ATOM 927 CG2 THR A 133 3.253 -28.073 22.110 1.00 21.10 C ATOM 0 H THR A 133 4.091 -27.396 19.268 1.00 19.25 H new ATOM 0 HA THR A 133 5.776 -27.195 21.367 1.00 19.43 H new ATOM 0 HB THR A 133 4.930 -29.258 22.144 1.00 19.70 H new ATOM 0 HG1 THR A 133 3.546 -29.338 19.869 1.00 20.94 H new ATOM 0 HG21 THR A 133 2.678 -28.720 22.548 1.00 21.10 H new ATOM 0 HG22 THR A 133 3.589 -27.443 22.767 1.00 21.10 H new ATOM 0 HG23 THR A 133 2.747 -27.595 21.435 1.00 21.10 H new ATOM 928 N ASP A 134 6.606 -28.587 18.764 1.00 19.10 N ATOM 929 CA ASP A 134 7.655 -29.314 18.058 1.00 19.74 C ATOM 930 C ASP A 134 7.721 -28.883 16.598 1.00 19.96 C ATOM 931 O ASP A 134 6.884 -28.092 16.150 1.00 20.02 O ATOM 932 CB ASP A 134 7.443 -30.842 18.164 1.00 20.29 C ATOM 933 CG ASP A 134 6.317 -31.374 17.258 1.00 23.54 C ATOM 934 OD1 ASP A 134 5.371 -30.632 16.886 1.00 26.45 O ATOM 935 OD2 ASP A 134 6.380 -32.572 16.911 1.00 29.76 O ATOM 0 H ASP A 134 6.068 -28.151 18.253 1.00 19.10 H new ATOM 0 HA ASP A 134 8.501 -29.099 18.480 1.00 19.74 H new ATOM 0 HB2 ASP A 134 8.271 -31.292 17.936 1.00 20.29 H new ATOM 0 HB3 ASP A 134 7.241 -31.070 19.085 1.00 20.29 H new ATOM 936 N LEU A 135 8.739 -29.367 15.898 1.00 20.03 N ATOM 937 CA LEU A 135 8.778 -29.353 14.440 1.00 20.47 C ATOM 938 C LEU A 135 8.296 -30.719 14.025 1.00 20.77 C ATOM 939 O LEU A 135 9.075 -31.684 14.061 1.00 20.63 O ATOM 940 CB LEU A 135 10.197 -29.176 13.927 1.00 19.98 C ATOM 941 CG LEU A 135 10.850 -27.814 13.835 1.00 23.31 C ATOM 942 CD1 LEU A 135 11.124 -27.356 15.226 1.00 29.46 C ATOM 943 CD2 LEU A 135 12.145 -27.951 13.055 1.00 24.71 C ATOM 0 H LEU A 135 9.436 -29.717 16.260 1.00 20.03 H new ATOM 0 HA LEU A 135 8.243 -28.625 14.088 1.00 20.47 H new ATOM 0 HB2 LEU A 135 10.768 -29.723 14.488 1.00 19.98 H new ATOM 0 HB3 LEU A 135 10.223 -29.560 13.037 1.00 19.98 H new ATOM 0 HG LEU A 135 10.281 -27.172 13.383 1.00 23.31 H new ATOM 0 HD11 LEU A 135 11.544 -26.482 15.202 1.00 29.46 H new ATOM 0 HD12 LEU A 135 10.290 -27.300 15.719 1.00 29.46 H new ATOM 0 HD13 LEU A 135 11.716 -27.987 15.664 1.00 29.46 H new ATOM 0 HD21 LEU A 135 12.576 -27.084 12.988 1.00 24.71 H new ATOM 0 HD22 LEU A 135 12.735 -28.570 13.513 1.00 24.71 H new ATOM 0 HD23 LEU A 135 11.953 -28.286 12.165 1.00 24.71 H new ATOM 944 N PRO A 136 7.006 -30.833 13.638 1.00 20.66 N ATOM 945 CA PRO A 136 6.366 -32.137 13.453 1.00 21.32 C ATOM 946 C PRO A 136 6.984 -32.974 12.343 1.00 20.61 C ATOM 947 O PRO A 136 6.890 -34.207 12.367 1.00 22.93 O ATOM 948 CB PRO A 136 4.909 -31.770 13.118 1.00 21.28 C ATOM 949 CG PRO A 136 4.999 -30.370 12.616 1.00 21.72 C ATOM 950 CD PRO A 136 6.062 -29.719 13.398 1.00 21.21 C ATOM 0 HA PRO A 136 6.465 -32.693 14.242 1.00 21.32 H new ATOM 0 HB2 PRO A 136 4.538 -32.365 12.448 1.00 21.28 H new ATOM 0 HB3 PRO A 136 4.338 -31.831 13.900 1.00 21.28 H new ATOM 0 HG2 PRO A 136 5.207 -30.355 11.669 1.00 21.72 H new ATOM 0 HG3 PRO A 136 4.154 -29.907 12.728 1.00 21.72 H new ATOM 0 HD2 PRO A 136 6.478 -28.992 12.908 1.00 21.21 H new ATOM 0 HD3 PRO A 136 5.724 -29.346 14.227 1.00 21.21 H new ATOM 951 N ASN A 137 7.618 -32.321 11.375 1.00 19.78 N ATOM 952 CA ASN A 137 8.151 -32.983 10.196 1.00 19.54 C ATOM 953 C ASN A 137 9.685 -32.894 10.089 1.00 18.83 C ATOM 954 O ASN A 137 10.279 -33.070 9.022 1.00 19.61 O ATOM 955 CB ASN A 137 7.433 -32.407 8.964 1.00 20.23 C ATOM 956 CG ASN A 137 7.497 -33.306 7.776 1.00 23.54 C ATOM 957 OD1 ASN A 137 7.407 -34.620 8.006 1.00 29.74 O flip ATOM 958 ND2 ASN A 137 7.611 -32.831 6.639 1.00 26.65 N flip ATOM 0 H ASN A 137 7.751 -31.471 11.387 1.00 19.78 H new ATOM 0 HA ASN A 137 7.977 -33.935 10.260 1.00 19.54 H new ATOM 0 HB2 ASN A 137 6.504 -32.240 9.187 1.00 20.23 H new ATOM 0 HB3 ASN A 137 7.829 -31.551 8.737 1.00 20.23 H new ATOM 0 HD21 ASN A 137 7.666 -31.979 6.532 1.00 26.65 H new ATOM 0 HD22 ASN A 137 7.635 -33.352 5.956 1.00 26.65 H new ATOM 959 N ALA A 138 10.344 -32.644 11.221 1.00 17.68 N ATOM 960 CA ALA A 138 11.785 -32.760 11.300 1.00 16.97 C ATOM 961 C ALA A 138 12.100 -34.244 11.130 1.00 17.18 C ATOM 962 O ALA A 138 11.201 -35.082 11.269 1.00 18.96 O ATOM 963 CB ALA A 138 12.317 -32.254 12.648 1.00 17.85 C ATOM 0 H ALA A 138 9.965 -32.405 11.955 1.00 17.68 H new ATOM 0 HA ALA A 138 12.210 -32.220 10.616 1.00 16.97 H new ATOM 0 HB1 ALA A 138 13.283 -32.345 12.670 1.00 17.85 H new ATOM 0 HB2 ALA A 138 12.078 -31.321 12.761 1.00 17.85 H new ATOM 0 HB3 ALA A 138 11.927 -32.776 13.367 1.00 17.85 H new ATOM 964 N PHE A 139 13.326 -34.548 10.771 1.00 16.94 N ATOM 965 CA PHE A 139 13.757 -35.934 10.632 1.00 17.45 C ATOM 966 C PHE A 139 14.896 -36.215 11.595 1.00 17.81 C ATOM 967 O PHE A 139 15.335 -35.361 12.354 1.00 16.62 O ATOM 968 CB PHE A 139 14.133 -36.273 9.179 1.00 17.45 C ATOM 969 CG PHE A 139 14.959 -35.216 8.485 1.00 16.49 C ATOM 970 CD1 PHE A 139 16.340 -35.206 8.587 1.00 17.46 C ATOM 971 CD2 PHE A 139 14.343 -34.229 7.701 1.00 16.92 C ATOM 972 CE1 PHE A 139 17.119 -34.242 7.950 1.00 17.02 C ATOM 973 CE2 PHE A 139 15.118 -33.257 7.068 1.00 16.14 C ATOM 974 CZ PHE A 139 16.494 -33.268 7.177 1.00 15.36 C ATOM 0 H PHE A 139 13.936 -33.966 10.600 1.00 16.94 H new ATOM 0 HA PHE A 139 13.013 -36.514 10.860 1.00 17.45 H new ATOM 0 HB2 PHE A 139 14.625 -37.109 9.170 1.00 17.45 H new ATOM 0 HB3 PHE A 139 13.319 -36.417 8.671 1.00 17.45 H new ATOM 0 HD1 PHE A 139 16.760 -35.862 9.095 1.00 17.46 H new ATOM 0 HD2 PHE A 139 13.418 -34.223 7.603 1.00 16.92 H new ATOM 0 HE1 PHE A 139 18.045 -34.249 8.040 1.00 17.02 H new ATOM 0 HE2 PHE A 139 14.702 -32.593 6.566 1.00 16.14 H new ATOM 0 HZ PHE A 139 17.002 -32.626 6.735 1.00 15.36 H new ATOM 975 N ASP A 140 15.404 -37.436 11.549 1.00 18.51 N ATOM 976 CA ASP A 140 16.469 -37.784 12.449 1.00 19.59 C ATOM 977 C ASP A 140 17.744 -36.998 12.278 1.00 17.64 C ATOM 978 O ASP A 140 18.207 -36.720 11.164 1.00 17.50 O ATOM 979 CB ASP A 140 16.747 -39.268 12.342 1.00 20.80 C ATOM 980 CG ASP A 140 16.216 -39.984 13.508 1.00 27.39 C ATOM 981 OD1 ASP A 140 14.979 -39.906 13.724 1.00 28.41 O ATOM 982 OD2 ASP A 140 17.064 -40.546 14.257 1.00 32.81 O ATOM 0 H ASP A 140 15.149 -38.060 11.015 1.00 18.51 H new ATOM 0 HA ASP A 140 16.154 -37.547 13.335 1.00 19.59 H new ATOM 0 HB2 ASP A 140 16.346 -39.619 11.532 1.00 20.80 H new ATOM 0 HB3 ASP A 140 17.703 -39.418 12.273 1.00 20.80 H new ATOM 983 N GLY A 141 18.345 -36.642 13.406 1.00 16.16 N ATOM 984 CA GLY A 141 19.617 -35.970 13.352 1.00 14.76 C ATOM 985 C GLY A 141 20.089 -35.545 14.717 1.00 14.87 C ATOM 986 O GLY A 141 19.442 -35.833 15.714 1.00 14.14 O ATOM 0 H GLY A 141 18.034 -36.780 14.196 1.00 16.16 H new ATOM 0 HA2 GLY A 141 20.276 -36.558 12.952 1.00 14.76 H new ATOM 0 HA3 GLY A 141 19.546 -35.191 12.778 1.00 14.76 H new ATOM 987 N PRO A 142 21.224 -34.851 14.755 1.00 15.13 N ATOM 988 CA PRO A 142 21.945 -34.607 15.998 1.00 15.79 C ATOM 989 C PRO A 142 21.704 -33.246 16.659 1.00 15.70 C ATOM 990 O PRO A 142 22.287 -32.961 17.693 1.00 17.31 O ATOM 991 CB PRO A 142 23.404 -34.739 15.551 1.00 16.07 C ATOM 992 CG PRO A 142 23.387 -34.177 14.148 1.00 16.16 C ATOM 993 CD PRO A 142 22.058 -34.583 13.568 1.00 16.21 C ATOM 0 HA PRO A 142 21.654 -35.222 16.689 1.00 15.79 H new ATOM 0 HB2 PRO A 142 24.003 -34.241 16.129 1.00 16.07 H new ATOM 0 HB3 PRO A 142 23.701 -35.662 15.564 1.00 16.07 H new ATOM 0 HG2 PRO A 142 23.484 -33.212 14.157 1.00 16.16 H new ATOM 0 HG3 PRO A 142 24.121 -34.531 13.621 1.00 16.16 H new ATOM 0 HD2 PRO A 142 21.679 -33.879 13.018 1.00 16.21 H new ATOM 0 HD3 PRO A 142 22.140 -35.369 13.006 1.00 16.21 H new ATOM 994 N ILE A 143 20.874 -32.401 16.059 1.00 13.85 N ATOM 995 CA ILE A 143 20.741 -31.034 16.552 1.00 12.69 C ATOM 996 C ILE A 143 19.690 -30.927 17.633 1.00 12.59 C ATOM 997 O ILE A 143 18.601 -31.451 17.476 1.00 13.78 O ATOM 998 CB ILE A 143 20.317 -30.098 15.396 1.00 12.09 C ATOM 999 CG1 ILE A 143 21.166 -30.352 14.158 1.00 13.11 C ATOM 1000 CG2 ILE A 143 20.398 -28.628 15.839 1.00 12.19 C ATOM 1001 CD1 ILE A 143 22.679 -30.106 14.364 1.00 14.69 C ATOM 0 H ILE A 143 20.386 -32.593 15.377 1.00 13.85 H new ATOM 0 HA ILE A 143 21.603 -30.778 16.915 1.00 12.69 H new ATOM 0 HB ILE A 143 19.395 -30.290 15.164 1.00 12.09 H new ATOM 0 HG12 ILE A 143 21.034 -31.269 13.871 1.00 13.11 H new ATOM 0 HG13 ILE A 143 20.851 -29.781 13.440 1.00 13.11 H new ATOM 0 HG21 ILE A 143 20.130 -28.053 15.105 1.00 12.19 H new ATOM 0 HG22 ILE A 143 19.807 -28.484 16.594 1.00 12.19 H new ATOM 0 HG23 ILE A 143 21.309 -28.417 16.098 1.00 12.19 H new ATOM 0 HD11 ILE A 143 23.152 -30.287 13.537 1.00 14.69 H new ATOM 0 HD12 ILE A 143 22.825 -29.183 14.624 1.00 14.69 H new ATOM 0 HD13 ILE A 143 23.011 -30.693 15.061 1.00 14.69 H new ATOM 1002 N THR A 144 20.001 -30.219 18.719 1.00 12.91 N ATOM 1003 CA THR A 144 18.968 -29.882 19.691 1.00 13.33 C ATOM 1004 C THR A 144 18.298 -28.608 19.187 1.00 12.24 C ATOM 1005 O THR A 144 18.925 -27.565 19.110 1.00 13.99 O ATOM 1006 CB THR A 144 19.573 -29.627 21.064 1.00 14.68 C ATOM 1007 OG1 THR A 144 20.171 -30.855 21.508 1.00 19.15 O ATOM 1008 CG2 THR A 144 18.486 -29.211 22.043 1.00 16.73 C ATOM 0 H THR A 144 20.789 -29.930 18.907 1.00 12.91 H new ATOM 0 HA THR A 144 18.337 -30.613 19.781 1.00 13.33 H new ATOM 0 HB THR A 144 20.232 -28.917 21.016 1.00 14.68 H new ATOM 0 HG1 THR A 144 20.515 -30.741 22.266 1.00 19.15 H new ATOM 0 HG21 THR A 144 18.880 -29.051 22.915 1.00 16.73 H new ATOM 0 HG22 THR A 144 18.059 -28.399 21.727 1.00 16.73 H new ATOM 0 HG23 THR A 144 17.825 -29.918 22.112 1.00 16.73 H new ATOM 1009 N ILE A 145 17.031 -28.740 18.869 1.00 12.41 N ATOM 1010 CA ILE A 145 16.261 -27.651 18.283 1.00 12.58 C ATOM 1011 C ILE A 145 15.294 -27.182 19.352 1.00 13.20 C ATOM 1012 O ILE A 145 14.467 -27.986 19.846 1.00 13.26 O ATOM 1013 CB ILE A 145 15.485 -28.137 17.048 1.00 12.84 C ATOM 1014 CG1 ILE A 145 16.436 -28.691 15.974 1.00 15.86 C ATOM 1015 CG2 ILE A 145 14.648 -26.974 16.467 1.00 14.61 C ATOM 1016 CD1 ILE A 145 15.723 -29.526 14.863 1.00 16.80 C ATOM 0 H ILE A 145 16.583 -29.465 18.985 1.00 12.41 H new ATOM 0 HA ILE A 145 16.846 -26.933 17.993 1.00 12.58 H new ATOM 0 HB ILE A 145 14.894 -28.856 17.323 1.00 12.84 H new ATOM 0 HG12 ILE A 145 16.905 -27.951 15.558 1.00 15.86 H new ATOM 0 HG13 ILE A 145 17.105 -29.246 16.403 1.00 15.86 H new ATOM 0 HG21 ILE A 145 14.160 -27.284 15.688 1.00 14.61 H new ATOM 0 HG22 ILE A 145 14.021 -26.660 17.137 1.00 14.61 H new ATOM 0 HG23 ILE A 145 15.237 -26.247 16.211 1.00 14.61 H new ATOM 0 HD11 ILE A 145 16.380 -29.842 14.223 1.00 16.80 H new ATOM 0 HD12 ILE A 145 15.274 -30.285 15.267 1.00 16.80 H new ATOM 0 HD13 ILE A 145 15.071 -28.970 14.408 1.00 16.80 H new ATOM 1017 N THR A 146 15.389 -25.896 19.708 1.00 13.51 N ATOM 1018 CA THR A 146 14.491 -25.321 20.710 1.00 14.81 C ATOM 1019 C THR A 146 13.500 -24.437 19.998 1.00 14.84 C ATOM 1020 O THR A 146 13.889 -23.661 19.140 1.00 14.33 O ATOM 1021 CB THR A 146 15.233 -24.480 21.745 1.00 14.86 C ATOM 1022 OG1 THR A 146 16.155 -25.311 22.463 1.00 18.99 O ATOM 1023 CG2 THR A 146 14.237 -23.917 22.746 1.00 15.30 C ATOM 0 H THR A 146 15.963 -25.345 19.382 1.00 13.51 H new ATOM 0 HA THR A 146 14.058 -26.051 21.180 1.00 14.81 H new ATOM 0 HB THR A 146 15.703 -23.763 21.291 1.00 14.86 H new ATOM 0 HG1 THR A 146 16.883 -25.348 22.045 1.00 18.99 H new ATOM 0 HG21 THR A 146 14.707 -23.382 23.405 1.00 15.30 H new ATOM 0 HG22 THR A 146 13.590 -23.363 22.282 1.00 15.30 H new ATOM 0 HG23 THR A 146 13.778 -24.646 23.191 1.00 15.30 H new ATOM 1024 N ILE A 147 12.232 -24.622 20.307 1.00 14.65 N ATOM 1025 CA ILE A 147 11.160 -23.745 19.823 1.00 16.05 C ATOM 1026 C ILE A 147 10.750 -22.810 20.950 1.00 16.01 C ATOM 1027 O ILE A 147 10.530 -23.245 22.090 1.00 15.63 O ATOM 1028 CB ILE A 147 9.929 -24.541 19.347 1.00 16.79 C ATOM 1029 CG1 ILE A 147 10.275 -25.584 18.275 1.00 20.88 C ATOM 1030 CG2 ILE A 147 8.801 -23.583 18.896 1.00 18.28 C ATOM 1031 CD1 ILE A 147 10.367 -25.031 16.871 1.00 27.75 C ATOM 0 H ILE A 147 11.956 -25.264 20.808 1.00 14.65 H new ATOM 0 HA ILE A 147 11.497 -23.247 19.062 1.00 16.05 H new ATOM 0 HB ILE A 147 9.601 -25.049 20.105 1.00 16.79 H new ATOM 0 HG12 ILE A 147 11.122 -25.998 18.504 1.00 20.88 H new ATOM 0 HG13 ILE A 147 9.603 -26.284 18.292 1.00 20.88 H new ATOM 0 HG21 ILE A 147 8.036 -24.100 18.600 1.00 18.28 H new ATOM 0 HG22 ILE A 147 8.540 -23.017 19.639 1.00 18.28 H new ATOM 0 HG23 ILE A 147 9.119 -23.030 18.165 1.00 18.28 H new ATOM 0 HD11 ILE A 147 10.588 -25.747 16.255 1.00 27.75 H new ATOM 0 HD12 ILE A 147 9.515 -24.640 16.620 1.00 27.75 H new ATOM 0 HD13 ILE A 147 11.057 -24.350 16.836 1.00 27.75 H new ATOM 1032 N VAL A 148 10.682 -21.515 20.643 1.00 14.71 N ATOM 1033 CA VAL A 148 10.273 -20.522 21.618 1.00 15.38 C ATOM 1034 C VAL A 148 9.048 -19.801 21.079 1.00 16.29 C ATOM 1035 O VAL A 148 9.090 -19.195 19.993 1.00 15.30 O ATOM 1036 CB VAL A 148 11.394 -19.506 21.912 1.00 15.89 C ATOM 1037 CG1 VAL A 148 10.992 -18.609 23.084 1.00 16.89 C ATOM 1038 CG2 VAL A 148 12.738 -20.200 22.209 1.00 16.32 C ATOM 0 H VAL A 148 10.871 -21.195 19.868 1.00 14.71 H new ATOM 0 HA VAL A 148 10.070 -20.971 22.454 1.00 15.38 H new ATOM 0 HB VAL A 148 11.516 -18.964 21.117 1.00 15.89 H new ATOM 0 HG11 VAL A 148 11.702 -17.973 23.263 1.00 16.89 H new ATOM 0 HG12 VAL A 148 10.178 -18.131 22.861 1.00 16.89 H new ATOM 0 HG13 VAL A 148 10.841 -19.154 23.872 1.00 16.89 H new ATOM 0 HG21 VAL A 148 13.416 -19.530 22.388 1.00 16.32 H new ATOM 0 HG22 VAL A 148 12.641 -20.776 22.983 1.00 16.32 H new ATOM 0 HG23 VAL A 148 13.004 -20.731 21.442 1.00 16.32 H new ATOM 1039 N ASN A 149 7.942 -19.903 21.806 1.00 16.03 N ATOM 1040 CA ASN A 149 6.693 -19.251 21.417 1.00 18.11 C ATOM 1041 C ASN A 149 6.641 -17.853 22.009 1.00 20.25 C ATOM 1042 O ASN A 149 7.373 -17.550 22.950 1.00 20.69 O ATOM 1043 CB ASN A 149 5.491 -20.065 21.882 1.00 17.07 C ATOM 1044 CG ASN A 149 5.378 -21.397 21.175 1.00 16.39 C ATOM 1045 OD1 ASN A 149 4.701 -21.519 20.153 1.00 17.32 O ATOM 1046 ND2 ASN A 149 6.059 -22.416 21.708 1.00 15.83 N ATOM 0 H ASN A 149 7.892 -20.351 22.538 1.00 16.03 H new ATOM 0 HA ASN A 149 6.661 -19.191 20.449 1.00 18.11 H new ATOM 0 HB2 ASN A 149 5.557 -20.215 22.838 1.00 17.07 H new ATOM 0 HB3 ASN A 149 4.681 -19.553 21.731 1.00 17.07 H new ATOM 0 HD21 ASN A 149 6.034 -23.191 21.336 1.00 15.83 H new ATOM 0 HD22 ASN A 149 6.522 -22.297 22.423 1.00 15.83 H new ATOM 1047 N ARG A 150 5.781 -16.994 21.452 1.00 22.39 N ATOM 1048 CA ARG A 150 5.710 -15.603 21.896 1.00 25.72 C ATOM 1049 C ARG A 150 5.345 -15.499 23.389 1.00 26.41 C ATOM 1050 O ARG A 150 5.899 -14.648 24.100 1.00 27.75 O ATOM 1051 CB ARG A 150 4.732 -14.804 21.019 1.00 25.87 C ATOM 1052 CG ARG A 150 5.318 -13.556 20.321 1.00 31.37 C ATOM 1053 CD ARG A 150 6.222 -12.763 21.244 1.00 36.93 C ATOM 1054 NE ARG A 150 6.429 -11.391 20.794 1.00 40.82 N ATOM 1055 CZ ARG A 150 6.664 -10.376 21.620 1.00 43.25 C ATOM 1056 NH1 ARG A 150 6.702 -10.584 22.933 1.00 44.61 N ATOM 1057 NH2 ARG A 150 6.848 -9.150 21.137 1.00 45.46 N ATOM 0 H ARG A 150 5.235 -17.198 20.820 1.00 22.39 H new ATOM 0 HA ARG A 150 6.592 -15.213 21.794 1.00 25.72 H new ATOM 0 HB2 ARG A 150 4.376 -15.397 20.339 1.00 25.87 H new ATOM 0 HB3 ARG A 150 3.985 -14.524 21.570 1.00 25.87 H new ATOM 0 HG2 ARG A 150 5.818 -13.830 19.536 1.00 31.37 H new ATOM 0 HG3 ARG A 150 4.594 -12.989 20.012 1.00 31.37 H new ATOM 0 HD2 ARG A 150 5.838 -12.752 22.135 1.00 36.93 H new ATOM 0 HD3 ARG A 150 7.080 -13.210 21.311 1.00 36.93 H new ATOM 0 HE ARG A 150 6.397 -11.230 19.950 1.00 40.82 H new ATOM 0 HH11 ARG A 150 6.575 -11.374 23.247 1.00 44.61 H new ATOM 0 HH12 ARG A 150 6.854 -9.928 23.468 1.00 44.61 H new ATOM 0 HH21 ARG A 150 6.815 -9.013 20.289 1.00 45.46 H new ATOM 0 HH22 ARG A 150 7.000 -8.495 21.673 1.00 45.46 H new ATOM 1058 N ASP A 151 4.480 -16.396 23.866 1.00 27.11 N ATOM 1059 CA ASP A 151 4.050 -16.423 25.275 1.00 27.64 C ATOM 1060 C ASP A 151 5.127 -16.958 26.223 1.00 27.50 C ATOM 1061 O ASP A 151 4.906 -17.070 27.428 1.00 28.50 O ATOM 1062 CB ASP A 151 2.726 -17.192 25.450 1.00 28.16 C ATOM 1063 CG ASP A 151 2.838 -18.687 25.146 1.00 29.41 C ATOM 1064 OD1 ASP A 151 3.954 -19.217 24.940 1.00 30.28 O ATOM 1065 OD2 ASP A 151 1.779 -19.350 25.111 1.00 31.52 O ATOM 0 H ASP A 151 4.122 -17.010 23.382 1.00 27.11 H new ATOM 0 HA ASP A 151 3.898 -15.498 25.524 1.00 27.64 H new ATOM 0 HB2 ASP A 151 2.413 -17.078 26.361 1.00 28.16 H new ATOM 0 HB3 ASP A 151 2.055 -16.801 24.869 1.00 28.16 H new ATOM 1066 N GLY A 152 6.280 -17.300 25.663 1.00 26.92 N ATOM 1067 CA GLY A 152 7.403 -17.790 26.454 1.00 26.13 C ATOM 1068 C GLY A 152 7.484 -19.295 26.637 1.00 25.06 C ATOM 1069 O GLY A 152 8.490 -19.791 27.157 1.00 25.59 O ATOM 0 H GLY A 152 6.434 -17.255 24.818 1.00 26.92 H new ATOM 0 HA2 GLY A 152 8.225 -17.488 26.037 1.00 26.13 H new ATOM 0 HA3 GLY A 152 7.362 -17.377 27.331 1.00 26.13 H new ATOM 1070 N THR A 153 6.444 -20.025 26.246 1.00 23.70 N ATOM 1071 CA THR A 153 6.485 -21.490 26.292 1.00 21.98 C ATOM 1072 C THR A 153 7.560 -22.001 25.337 1.00 20.83 C ATOM 1073 O THR A 153 7.645 -21.568 24.186 1.00 17.94 O ATOM 1074 CB THR A 153 5.138 -22.156 25.983 1.00 23.09 C ATOM 1075 OG1 THR A 153 4.656 -21.737 24.691 1.00 23.61 O ATOM 1076 CG2 THR A 153 4.101 -21.780 27.041 1.00 22.26 C ATOM 0 H THR A 153 5.706 -19.696 25.951 1.00 23.70 H new ATOM 0 HA THR A 153 6.700 -21.735 27.206 1.00 21.98 H new ATOM 0 HB THR A 153 5.271 -23.117 25.986 1.00 23.09 H new ATOM 0 HG1 THR A 153 4.270 -20.995 24.763 1.00 23.61 H new ATOM 0 HG21 THR A 153 3.256 -22.208 26.832 1.00 22.26 H new ATOM 0 HG22 THR A 153 4.406 -22.076 27.913 1.00 22.26 H new ATOM 0 HG23 THR A 153 3.982 -20.817 27.050 1.00 22.26 H new ATOM 1077 N ARG A 154 8.411 -22.890 25.831 1.00 18.09 N ATOM 1078 CA ARG A 154 9.487 -23.387 24.996 1.00 17.90 C ATOM 1079 C ARG A 154 9.686 -24.898 25.130 1.00 16.70 C ATOM 1080 O ARG A 154 9.361 -25.487 26.162 1.00 16.60 O ATOM 1081 CB ARG A 154 10.755 -22.558 25.171 1.00 20.26 C ATOM 1082 CG ARG A 154 11.668 -23.001 26.210 1.00 21.79 C ATOM 1083 CD ARG A 154 12.693 -21.893 26.436 1.00 25.25 C ATOM 1084 NE ARG A 154 12.062 -20.633 26.805 1.00 24.96 N ATOM 1085 CZ ARG A 154 12.593 -19.433 26.572 1.00 26.79 C ATOM 1086 NH1 ARG A 154 13.774 -19.336 25.970 1.00 29.01 N ATOM 1087 NH2 ARG A 154 11.959 -18.324 26.962 1.00 28.91 N ATOM 0 H ARG A 154 8.383 -23.211 26.628 1.00 18.09 H new ATOM 0 HA ARG A 154 9.226 -23.267 24.070 1.00 17.90 H new ATOM 0 HB2 ARG A 154 11.233 -22.549 24.327 1.00 20.26 H new ATOM 0 HB3 ARG A 154 10.498 -21.642 25.360 1.00 20.26 H new ATOM 0 HG2 ARG A 154 11.184 -23.189 27.030 1.00 21.79 H new ATOM 0 HG3 ARG A 154 12.109 -23.823 25.946 1.00 21.79 H new ATOM 0 HD2 ARG A 154 13.310 -22.162 27.135 1.00 25.25 H new ATOM 0 HD3 ARG A 154 13.216 -21.768 25.629 1.00 25.25 H new ATOM 0 HE ARG A 154 11.298 -20.666 27.198 1.00 24.96 H new ATOM 0 HH11 ARG A 154 14.195 -20.047 25.731 1.00 29.01 H new ATOM 0 HH12 ARG A 154 14.117 -18.562 25.819 1.00 29.01 H new ATOM 0 HH21 ARG A 154 11.202 -18.381 27.367 1.00 28.91 H new ATOM 0 HH22 ARG A 154 12.307 -17.553 26.808 1.00 28.91 H new ATOM 1088 N TYR A 155 10.146 -25.507 24.036 1.00 15.30 N ATOM 1089 CA TYR A 155 10.223 -26.962 23.853 1.00 15.43 C ATOM 1090 C TYR A 155 11.510 -27.338 23.141 1.00 16.12 C ATOM 1091 O TYR A 155 12.012 -26.573 22.321 1.00 15.97 O ATOM 1092 CB TYR A 155 9.036 -27.433 23.012 1.00 15.52 C ATOM 1093 CG TYR A 155 7.722 -27.004 23.583 1.00 17.36 C ATOM 1094 CD1 TYR A 155 7.017 -27.834 24.454 1.00 19.87 C ATOM 1095 CD2 TYR A 155 7.175 -25.762 23.258 1.00 17.91 C ATOM 1096 CE1 TYR A 155 5.809 -27.434 24.998 1.00 20.39 C ATOM 1097 CE2 TYR A 155 5.973 -25.344 23.805 1.00 19.83 C ATOM 1098 CZ TYR A 155 5.293 -26.182 24.668 1.00 21.71 C ATOM 1099 OH TYR A 155 4.085 -25.777 25.175 1.00 24.25 O ATOM 0 H TYR A 155 10.433 -25.069 23.354 1.00 15.30 H new ATOM 0 HA TYR A 155 10.204 -27.386 24.725 1.00 15.43 H new ATOM 0 HB2 TYR A 155 9.123 -27.084 22.111 1.00 15.52 H new ATOM 0 HB3 TYR A 155 9.055 -28.400 22.944 1.00 15.52 H new ATOM 0 HD1 TYR A 155 7.364 -28.669 24.673 1.00 19.87 H new ATOM 0 HD2 TYR A 155 7.625 -25.206 22.664 1.00 17.91 H new ATOM 0 HE1 TYR A 155 5.346 -27.995 25.578 1.00 20.39 H new ATOM 0 HE2 TYR A 155 5.627 -24.507 23.593 1.00 19.83 H new ATOM 0 HH TYR A 155 3.764 -25.174 24.686 1.00 24.25 H new ATOM 1100 N VAL A 156 12.042 -28.524 23.445 1.00 14.54 N ATOM 1101 CA VAL A 156 13.247 -29.021 22.774 1.00 15.23 C ATOM 1102 C VAL A 156 12.986 -30.357 22.114 1.00 15.46 C ATOM 1103 O VAL A 156 12.150 -31.167 22.583 1.00 15.56 O ATOM 1104 CB VAL A 156 14.499 -29.107 23.704 1.00 14.95 C ATOM 1105 CG1 VAL A 156 14.722 -27.789 24.375 1.00 16.42 C ATOM 1106 CG2 VAL A 156 14.344 -30.206 24.762 1.00 14.96 C ATOM 0 H VAL A 156 11.720 -29.057 24.038 1.00 14.54 H new ATOM 0 HA VAL A 156 13.459 -28.362 22.095 1.00 15.23 H new ATOM 0 HB VAL A 156 15.265 -29.330 23.152 1.00 14.95 H new ATOM 0 HG11 VAL A 156 15.500 -27.847 24.951 1.00 16.42 H new ATOM 0 HG12 VAL A 156 14.868 -27.104 23.703 1.00 16.42 H new ATOM 0 HG13 VAL A 156 13.943 -27.560 24.906 1.00 16.42 H new ATOM 0 HG21 VAL A 156 15.137 -30.232 25.321 1.00 14.96 H new ATOM 0 HG22 VAL A 156 13.567 -30.019 25.312 1.00 14.96 H new ATOM 0 HG23 VAL A 156 14.230 -31.064 24.324 1.00 14.96 H new ATOM 1107 N GLN A 157 13.681 -30.575 21.005 1.00 15.63 N ATOM 1108 CA GLN A 157 13.688 -31.865 20.325 1.00 16.40 C ATOM 1109 C GLN A 157 15.048 -32.083 19.696 1.00 15.80 C ATOM 1110 O GLN A 157 15.815 -31.135 19.530 1.00 16.54 O ATOM 1111 CB GLN A 157 12.564 -31.959 19.300 1.00 18.40 C ATOM 1112 CG GLN A 157 12.856 -31.330 17.983 1.00 19.46 C ATOM 1113 CD GLN A 157 11.592 -31.159 17.166 1.00 22.86 C ATOM 1114 OE1 GLN A 157 10.864 -30.183 17.371 1.00 23.69 O ATOM 1115 NE2 GLN A 157 11.303 -32.119 16.268 1.00 21.29 N ATOM 0 H GLN A 157 14.165 -29.976 20.623 1.00 15.63 H new ATOM 0 HA GLN A 157 13.526 -32.570 20.971 1.00 16.40 H new ATOM 0 HB2 GLN A 157 12.354 -32.895 19.156 1.00 18.40 H new ATOM 0 HB3 GLN A 157 11.770 -31.544 19.672 1.00 18.40 H new ATOM 0 HG2 GLN A 157 13.275 -30.466 18.120 1.00 19.46 H new ATOM 0 HG3 GLN A 157 13.489 -31.878 17.493 1.00 19.46 H new ATOM 0 HE21 GLN A 157 11.840 -32.781 16.159 1.00 21.29 H new ATOM 0 HE22 GLN A 157 10.581 -32.070 15.803 1.00 21.29 H new ATOM 1116 N LYS A 158 15.346 -33.335 19.369 1.00 14.15 N ATOM 1117 CA LYS A 158 16.590 -33.687 18.736 1.00 14.07 C ATOM 1118 C LYS A 158 16.255 -34.114 17.302 1.00 13.73 C ATOM 1119 O LYS A 158 15.368 -34.971 17.094 1.00 15.10 O ATOM 1120 CB LYS A 158 17.283 -34.810 19.523 1.00 14.34 C ATOM 1121 CG LYS A 158 18.541 -35.276 18.921 1.00 16.97 C ATOM 1122 CD LYS A 158 19.135 -36.424 19.746 1.00 19.12 C ATOM 1123 CE LYS A 158 20.221 -37.076 18.975 1.00 20.33 C ATOM 1124 NZ LYS A 158 19.691 -37.912 17.839 1.00 21.87 N ATOM 0 H LYS A 158 14.823 -34.003 19.513 1.00 14.15 H new ATOM 0 HA LYS A 158 17.208 -32.939 18.720 1.00 14.07 H new ATOM 0 HB2 LYS A 158 17.463 -34.498 20.424 1.00 14.34 H new ATOM 0 HB3 LYS A 158 16.674 -35.561 19.600 1.00 14.34 H new ATOM 0 HG2 LYS A 158 18.381 -35.573 18.011 1.00 16.97 H new ATOM 0 HG3 LYS A 158 19.174 -34.543 18.873 1.00 16.97 H new ATOM 0 HD2 LYS A 158 19.480 -36.086 20.587 1.00 19.12 H new ATOM 0 HD3 LYS A 158 18.445 -37.071 19.962 1.00 19.12 H new ATOM 0 HE2 LYS A 158 20.818 -36.397 18.623 1.00 20.33 H new ATOM 0 HE3 LYS A 158 20.746 -37.636 19.569 1.00 20.33 H new ATOM 0 HZ1 LYS A 158 20.281 -38.547 17.637 1.00 21.87 H new ATOM 0 HZ2 LYS A 158 18.922 -38.288 18.081 1.00 21.87 H new ATOM 0 HZ3 LYS A 158 19.557 -37.395 17.127 1.00 21.87 H new ATOM 1125 N GLY A 159 16.921 -33.496 16.321 1.00 12.92 N ATOM 1126 CA GLY A 159 16.708 -33.872 14.927 1.00 13.05 C ATOM 1127 C GLY A 159 17.447 -32.989 13.946 1.00 12.43 C ATOM 1128 O GLY A 159 18.504 -32.454 14.240 1.00 13.04 O ATOM 0 H GLY A 159 17.493 -32.865 16.443 1.00 12.92 H new ATOM 0 HA2 GLY A 159 16.990 -34.791 14.800 1.00 13.05 H new ATOM 0 HA3 GLY A 159 15.759 -33.837 14.731 1.00 13.05 H new ATOM 1129 N GLU A 160 16.871 -32.863 12.756 1.00 13.29 N ATOM 1130 CA GLU A 160 17.419 -31.992 11.716 1.00 13.24 C ATOM 1131 C GLU A 160 16.262 -31.640 10.800 1.00 13.46 C ATOM 1132 O GLU A 160 15.254 -32.363 10.726 1.00 12.81 O ATOM 1133 CB GLU A 160 18.528 -32.707 10.933 1.00 13.39 C ATOM 1134 CG GLU A 160 19.159 -31.919 9.792 1.00 15.32 C ATOM 1135 CD GLU A 160 19.772 -30.622 10.253 1.00 16.05 C ATOM 1136 OE1 GLU A 160 20.941 -30.636 10.716 1.00 16.64 O ATOM 1137 OE2 GLU A 160 19.088 -29.571 10.120 1.00 14.28 O ATOM 0 H GLU A 160 16.153 -33.278 12.527 1.00 13.29 H new ATOM 0 HA GLU A 160 17.817 -31.196 12.103 1.00 13.24 H new ATOM 0 HB2 GLU A 160 19.229 -32.957 11.556 1.00 13.39 H new ATOM 0 HB3 GLU A 160 18.164 -33.530 10.571 1.00 13.39 H new ATOM 0 HG2 GLU A 160 19.841 -32.462 9.367 1.00 15.32 H new ATOM 0 HG3 GLU A 160 18.485 -31.733 9.120 1.00 15.32 H new ATOM 1138 N TYR A 161 16.383 -30.486 10.129 1.00 13.24 N ATOM 1139 CA TYR A 161 15.404 -30.123 9.088 1.00 13.69 C ATOM 1140 C TYR A 161 16.072 -29.712 7.782 1.00 14.10 C ATOM 1141 O TYR A 161 15.383 -29.655 6.751 1.00 14.17 O ATOM 1142 CB TYR A 161 14.459 -29.014 9.584 1.00 14.01 C ATOM 1143 CG TYR A 161 15.186 -27.741 9.969 1.00 14.23 C ATOM 1144 CD1 TYR A 161 15.504 -26.762 9.012 1.00 13.88 C ATOM 1145 CD2 TYR A 161 15.545 -27.506 11.297 1.00 14.18 C ATOM 1146 CE1 TYR A 161 16.191 -25.619 9.370 1.00 14.05 C ATOM 1147 CE2 TYR A 161 16.215 -26.371 11.657 1.00 13.08 C ATOM 1148 CZ TYR A 161 16.537 -25.421 10.688 1.00 14.35 C ATOM 1149 OH TYR A 161 17.198 -24.290 11.068 1.00 15.46 O ATOM 0 H TYR A 161 17.009 -29.910 10.256 1.00 13.24 H new ATOM 0 HA TYR A 161 14.881 -30.919 8.905 1.00 13.69 H new ATOM 0 HB2 TYR A 161 13.812 -28.813 8.890 1.00 14.01 H new ATOM 0 HB3 TYR A 161 13.961 -29.340 10.350 1.00 14.01 H new ATOM 0 HD1 TYR A 161 15.248 -26.886 8.126 1.00 13.88 H new ATOM 0 HD2 TYR A 161 15.324 -28.133 11.948 1.00 14.18 H new ATOM 0 HE1 TYR A 161 16.418 -24.988 8.726 1.00 14.05 H new ATOM 0 HE2 TYR A 161 16.455 -26.232 12.545 1.00 13.08 H new ATOM 0 HH TYR A 161 17.595 -23.961 10.405 1.00 15.46 H new ATOM 1150 N ARG A 162 17.368 -29.402 7.815 1.00 13.66 N ATOM 1151 CA ARG A 162 18.087 -28.952 6.623 1.00 15.09 C ATOM 1152 C ARG A 162 18.419 -30.104 5.702 1.00 16.50 C ATOM 1153 O ARG A 162 19.072 -31.070 6.118 1.00 17.32 O ATOM 1154 CB ARG A 162 19.355 -28.198 6.989 1.00 14.63 C ATOM 1155 CG ARG A 162 19.047 -26.933 7.799 1.00 14.00 C ATOM 1156 CD ARG A 162 20.276 -26.405 8.507 1.00 13.00 C ATOM 1157 NE ARG A 162 20.708 -27.340 9.564 1.00 13.83 N ATOM 1158 CZ ARG A 162 21.802 -27.172 10.295 1.00 13.75 C ATOM 1159 NH1 ARG A 162 22.575 -26.089 10.144 1.00 13.64 N ATOM 1160 NH2 ARG A 162 22.107 -28.102 11.217 1.00 14.30 N ATOM 0 H ARG A 162 17.852 -29.446 8.524 1.00 13.66 H new ATOM 0 HA ARG A 162 17.493 -28.347 6.152 1.00 15.09 H new ATOM 0 HB2 ARG A 162 19.940 -28.777 7.502 1.00 14.63 H new ATOM 0 HB3 ARG A 162 19.833 -27.957 6.180 1.00 14.63 H new ATOM 0 HG2 ARG A 162 18.695 -26.249 7.208 1.00 14.00 H new ATOM 0 HG3 ARG A 162 18.356 -27.127 8.452 1.00 14.00 H new ATOM 0 HD2 ARG A 162 20.994 -26.278 7.868 1.00 13.00 H new ATOM 0 HD3 ARG A 162 20.084 -25.537 8.895 1.00 13.00 H new ATOM 0 HE ARG A 162 20.222 -28.034 9.715 1.00 13.83 H new ATOM 0 HH11 ARG A 162 22.365 -25.488 9.566 1.00 13.64 H new ATOM 0 HH12 ARG A 162 23.281 -25.994 10.625 1.00 13.64 H new ATOM 0 HH21 ARG A 162 21.597 -28.787 11.322 1.00 14.30 H new ATOM 0 HH22 ARG A 162 22.812 -28.012 11.702 1.00 14.30 H new ATOM 1161 N THR A 163 17.997 -29.971 4.441 1.00 17.94 N ATOM 1162 CA THR A 163 18.281 -31.002 3.420 1.00 19.01 C ATOM 1163 C THR A 163 19.421 -30.613 2.480 1.00 20.27 C ATOM 1164 O THR A 163 19.899 -31.452 1.708 1.00 21.77 O ATOM 1165 CB THR A 163 17.025 -31.369 2.592 1.00 18.40 C ATOM 1166 OG1 THR A 163 16.688 -30.270 1.729 1.00 18.84 O ATOM 1167 CG2 THR A 163 15.847 -31.717 3.485 1.00 19.82 C ATOM 0 H THR A 163 17.547 -29.297 4.152 1.00 17.94 H new ATOM 0 HA THR A 163 18.562 -31.783 3.922 1.00 19.01 H new ATOM 0 HB THR A 163 17.227 -32.155 2.061 1.00 18.40 H new ATOM 0 HG1 THR A 163 16.614 -29.568 2.185 1.00 18.84 H new ATOM 0 HG21 THR A 163 15.079 -31.941 2.936 1.00 19.82 H new ATOM 0 HG22 THR A 163 16.077 -32.476 4.043 1.00 19.82 H new ATOM 0 HG23 THR A 163 15.631 -30.956 4.047 1.00 19.82 H new ATOM 1168 N ASN A 164 19.850 -29.347 2.523 1.00 20.22 N ATOM 1169 CA ASN A 164 20.938 -28.847 1.686 1.00 20.66 C ATOM 1170 C ASN A 164 22.276 -28.854 2.440 1.00 21.15 C ATOM 1171 O ASN A 164 22.505 -28.062 3.367 1.00 20.84 O ATOM 1172 CB ASN A 164 20.603 -27.438 1.149 1.00 21.03 C ATOM 1173 CG ASN A 164 21.703 -26.850 0.248 1.00 21.92 C ATOM 1174 OD1 ASN A 164 22.695 -27.512 -0.100 1.00 22.61 O ATOM 1175 ND2 ASN A 164 21.530 -25.575 -0.127 1.00 23.16 N ATOM 0 H ASN A 164 19.512 -28.752 3.044 1.00 20.22 H new ATOM 0 HA ASN A 164 21.034 -29.445 0.928 1.00 20.66 H new ATOM 0 HB2 ASN A 164 19.772 -27.479 0.650 1.00 21.03 H new ATOM 0 HB3 ASN A 164 20.454 -26.840 1.898 1.00 21.03 H new ATOM 0 HD21 ASN A 164 22.116 -25.190 -0.624 1.00 23.16 H new ATOM 0 HD22 ASN A 164 20.833 -25.142 0.130 1.00 23.16 H new ATOM 1176 N PRO A 165 23.193 -29.760 2.055 1.00 21.53 N ATOM 1177 CA PRO A 165 24.464 -29.821 2.807 1.00 21.49 C ATOM 1178 C PRO A 165 25.231 -28.503 2.864 1.00 21.33 C ATOM 1179 O PRO A 165 26.000 -28.253 3.788 1.00 21.35 O ATOM 1180 CB PRO A 165 25.297 -30.860 2.034 1.00 22.05 C ATOM 1181 CG PRO A 165 24.346 -31.544 1.116 1.00 22.76 C ATOM 1182 CD PRO A 165 23.172 -30.656 0.881 1.00 22.02 C ATOM 0 HA PRO A 165 24.289 -30.041 3.735 1.00 21.49 H new ATOM 0 HB2 PRO A 165 26.012 -30.432 1.538 1.00 22.05 H new ATOM 0 HB3 PRO A 165 25.712 -31.494 2.640 1.00 22.05 H new ATOM 0 HG2 PRO A 165 24.783 -31.751 0.275 1.00 22.76 H new ATOM 0 HG3 PRO A 165 24.057 -32.386 1.500 1.00 22.76 H new ATOM 0 HD2 PRO A 165 23.256 -30.162 0.051 1.00 22.02 H new ATOM 0 HD3 PRO A 165 22.345 -31.160 0.829 1.00 22.02 H new ATOM 1183 N GLU A 166 25.025 -27.636 1.880 1.00 20.77 N ATOM 1184 CA GLU A 166 25.659 -26.335 1.905 1.00 20.86 C ATOM 1185 C GLU A 166 25.152 -25.427 3.062 1.00 18.86 C ATOM 1186 O GLU A 166 25.886 -24.566 3.535 1.00 19.34 O ATOM 1187 CB GLU A 166 25.473 -25.648 0.551 1.00 21.97 C ATOM 1188 CG GLU A 166 26.064 -24.246 0.473 1.00 27.11 C ATOM 1189 CD GLU A 166 27.592 -24.228 0.474 1.00 33.33 C ATOM 1190 OE1 GLU A 166 28.228 -25.298 0.232 1.00 33.54 O ATOM 1191 OE2 GLU A 166 28.139 -23.122 0.704 1.00 35.93 O ATOM 0 H GLU A 166 24.525 -27.784 1.196 1.00 20.77 H new ATOM 0 HA GLU A 166 26.603 -26.478 2.074 1.00 20.86 H new ATOM 0 HB2 GLU A 166 25.879 -26.198 -0.137 1.00 21.97 H new ATOM 0 HB3 GLU A 166 24.525 -25.599 0.352 1.00 21.97 H new ATOM 0 HG2 GLU A 166 25.743 -23.812 -0.333 1.00 27.11 H new ATOM 0 HG3 GLU A 166 25.741 -23.724 1.224 1.00 27.11 H new ATOM 1192 N ASP A 167 23.921 -25.650 3.517 1.00 18.63 N ATOM 1193 CA ASP A 167 23.382 -24.906 4.659 1.00 16.96 C ATOM 1194 C ASP A 167 23.974 -25.402 5.986 1.00 17.80 C ATOM 1195 O ASP A 167 24.177 -24.614 6.900 1.00 18.09 O ATOM 1196 CB ASP A 167 21.853 -24.980 4.718 1.00 16.57 C ATOM 1197 CG ASP A 167 21.190 -24.183 3.608 1.00 15.21 C ATOM 1198 OD1 ASP A 167 21.739 -23.113 3.293 1.00 16.42 O ATOM 1199 OD2 ASP A 167 20.159 -24.651 3.094 1.00 17.67 O ATOM 0 H ASP A 167 23.380 -26.227 3.180 1.00 18.63 H new ATOM 0 HA ASP A 167 23.640 -23.980 4.529 1.00 16.96 H new ATOM 0 HB2 ASP A 167 21.574 -25.907 4.658 1.00 16.57 H new ATOM 0 HB3 ASP A 167 21.549 -24.648 5.577 1.00 16.57 H new ATOM 1200 N ILE A 168 24.281 -26.699 6.047 1.00 17.75 N ATOM 1201 CA ILE A 168 24.804 -27.292 7.283 1.00 18.06 C ATOM 1202 C ILE A 168 26.312 -27.161 7.369 1.00 19.70 C ATOM 1203 O ILE A 168 26.847 -26.784 8.407 1.00 17.99 O ATOM 1204 CB ILE A 168 24.447 -28.778 7.389 1.00 17.44 C ATOM 1205 CG1 ILE A 168 22.947 -28.992 7.184 1.00 16.90 C ATOM 1206 CG2 ILE A 168 24.794 -29.285 8.790 1.00 18.46 C ATOM 1207 CD1 ILE A 168 22.529 -30.464 7.066 1.00 19.13 C ATOM 0 H ILE A 168 24.195 -27.249 5.392 1.00 17.75 H new ATOM 0 HA ILE A 168 24.391 -26.804 8.013 1.00 18.06 H new ATOM 0 HB ILE A 168 24.946 -29.255 6.707 1.00 17.44 H new ATOM 0 HG12 ILE A 168 22.469 -28.590 7.926 1.00 16.90 H new ATOM 0 HG13 ILE A 168 22.671 -28.523 6.381 1.00 16.90 H new ATOM 0 HG21 ILE A 168 24.569 -30.226 8.859 1.00 18.46 H new ATOM 0 HG22 ILE A 168 25.743 -29.168 8.951 1.00 18.46 H new ATOM 0 HG23 ILE A 168 24.290 -28.783 9.450 1.00 18.46 H new ATOM 0 HD11 ILE A 168 21.569 -30.519 6.938 1.00 19.13 H new ATOM 0 HD12 ILE A 168 22.979 -30.869 6.308 1.00 19.13 H new ATOM 0 HD13 ILE A 168 22.774 -30.936 7.877 1.00 19.13 H new ATOM 1208 N TYR A 169 26.980 -27.506 6.264 1.00 21.86 N ATOM 1209 CA TYR A 169 28.443 -27.574 6.159 1.00 24.16 C ATOM 1210 C TYR A 169 28.862 -26.778 4.926 1.00 26.88 C ATOM 1211 O TYR A 169 29.104 -27.368 3.862 1.00 27.37 O ATOM 1212 CB TYR A 169 28.917 -29.049 6.030 1.00 23.79 C ATOM 1213 CG TYR A 169 28.397 -29.935 7.132 1.00 23.27 C ATOM 1214 CD1 TYR A 169 28.810 -29.732 8.458 1.00 22.22 C ATOM 1215 CD2 TYR A 169 27.499 -30.972 6.869 1.00 20.28 C ATOM 1216 CE1 TYR A 169 28.306 -30.511 9.494 1.00 21.14 C ATOM 1217 CE2 TYR A 169 27.001 -31.795 7.913 1.00 24.16 C ATOM 1218 CZ TYR A 169 27.417 -31.547 9.227 1.00 20.69 C ATOM 1219 OH TYR A 169 26.928 -32.307 10.279 1.00 22.02 O ATOM 0 H TYR A 169 26.581 -27.714 5.531 1.00 21.86 H new ATOM 0 HA TYR A 169 28.849 -27.203 6.958 1.00 24.16 H new ATOM 0 HB2 TYR A 169 28.628 -29.402 5.174 1.00 23.79 H new ATOM 0 HB3 TYR A 169 29.887 -29.073 6.033 1.00 23.79 H new ATOM 0 HD1 TYR A 169 29.431 -29.066 8.647 1.00 22.22 H new ATOM 0 HD2 TYR A 169 27.222 -31.126 5.995 1.00 20.28 H new ATOM 0 HE1 TYR A 169 28.565 -30.338 10.370 1.00 21.14 H new ATOM 0 HE2 TYR A 169 26.408 -32.487 7.727 1.00 24.16 H new ATOM 0 HH TYR A 169 26.405 -32.893 9.982 1.00 22.02 H new ATOM 1220 N PRO A 170 28.919 -25.443 5.057 1.00 28.86 N ATOM 1221 CA PRO A 170 29.286 -24.614 3.908 1.00 30.84 C ATOM 1222 C PRO A 170 30.702 -24.906 3.406 1.00 32.68 C ATOM 1223 O PRO A 170 31.641 -25.032 4.205 1.00 33.05 O ATOM 1224 CB PRO A 170 29.187 -23.178 4.444 1.00 30.89 C ATOM 1225 CG PRO A 170 28.936 -23.279 5.903 1.00 30.90 C ATOM 1226 CD PRO A 170 28.431 -24.640 6.194 1.00 28.58 C ATOM 0 HA PRO A 170 28.709 -24.782 3.146 1.00 30.84 H new ATOM 0 HB2 PRO A 170 30.006 -22.689 4.269 1.00 30.89 H new ATOM 0 HB3 PRO A 170 28.469 -22.696 4.004 1.00 30.89 H new ATOM 0 HG2 PRO A 170 29.752 -23.108 6.399 1.00 30.90 H new ATOM 0 HG3 PRO A 170 28.289 -22.612 6.182 1.00 30.90 H new ATOM 0 HD2 PRO A 170 28.772 -24.974 7.039 1.00 28.58 H new ATOM 0 HD3 PRO A 170 27.463 -24.656 6.253 1.00 28.58 H new ATOM 1227 N SER A 171 30.842 -25.018 2.085 1.00 34.57 N ATOM 1228 CA SER A 171 32.161 -25.156 1.463 1.00 35.80 C ATOM 1229 C SER A 171 32.541 -23.850 0.769 1.00 36.08 C ATOM 1230 O SER A 171 32.370 -22.765 1.337 1.00 36.80 O ATOM 1231 CB SER A 171 32.186 -26.335 0.485 1.00 36.15 C ATOM 1232 OG SER A 171 31.208 -26.178 -0.531 1.00 37.24 O ATOM 0 H SER A 171 30.185 -25.016 1.530 1.00 34.57 H new ATOM 0 HA SER A 171 32.817 -25.342 2.153 1.00 35.80 H new ATOM 0 HB2 SER A 171 33.066 -26.406 0.083 1.00 36.15 H new ATOM 0 HB3 SER A 171 32.026 -27.162 0.967 1.00 36.15 H new ATOM 0 HG SER A 171 31.241 -26.834 -1.055 1.00 37.24 H new TER 1233 SER A 171 ATOM 1234 N AALA B 20 8.873 -13.821 33.492 0.50 21.31 N ATOM 1235 N BALA B 20 9.606 -15.155 34.787 0.50 19.80 N ATOM 1236 CA AALA B 20 9.400 -14.587 32.329 0.50 20.80 C ATOM 1237 CA BALA B 20 9.829 -16.274 33.836 0.50 19.76 C ATOM 1238 C AALA B 20 10.921 -14.597 32.279 0.50 20.14 C ATOM 1239 C BALA B 20 11.264 -16.243 33.335 0.50 19.56 C ATOM 1240 O AALA B 20 11.559 -13.548 32.453 0.50 20.80 O ATOM 1241 O BALA B 20 12.166 -16.620 34.108 0.50 18.30 O ATOM 1242 CB AALA B 20 8.855 -14.011 31.025 0.50 21.02 C ATOM 1243 CB BALA B 20 8.814 -16.245 32.680 0.50 20.66 C ATOM 0 HA AALA B 20 9.101 -15.503 32.439 0.50 19.76 H new ATOM 0 HA BALA B 20 9.687 -17.113 34.302 0.50 19.76 H new ATOM 0 HB1AALA B 20 9.205 -14.518 30.276 0.50 20.66 H new ATOM 0 HB1BALA B 20 8.987 -16.986 32.079 0.50 20.66 H new ATOM 0 HB2AALA B 20 7.887 -14.065 31.027 0.50 20.66 H new ATOM 0 HB2BALA B 20 7.915 -16.321 33.036 0.50 20.66 H new ATOM 0 HB3AALA B 20 9.126 -13.083 30.942 0.50 20.66 H new ATOM 0 HB3BALA B 20 8.900 -15.409 32.195 0.50 20.66 H new ATOM 1244 N GLN B 21 11.492 -15.788 32.084 1.00 19.67 N ATOM 1245 CA GLN B 21 12.825 -15.951 31.491 1.00 17.81 C ATOM 1246 C GLN B 21 13.331 -14.798 30.614 1.00 16.26 C ATOM 1247 O GLN B 21 12.580 -14.212 29.809 1.00 16.95 O ATOM 1248 CB GLN B 21 12.855 -17.242 30.673 1.00 18.52 C ATOM 1249 CG GLN B 21 14.239 -17.631 30.208 1.00 18.33 C ATOM 1250 CD GLN B 21 14.316 -19.076 29.745 1.00 19.89 C ATOM 1251 OE1 GLN B 21 13.594 -19.939 30.250 1.00 23.40 O ATOM 1252 NE2 GLN B 21 15.209 -19.350 28.801 1.00 20.92 N ATOM 0 H AGLN B 21 11.114 -16.531 32.294 0.50 19.67 H new ATOM 0 H BGLN B 21 10.910 -15.398 31.585 0.50 19.67 H new ATOM 0 HA GLN B 21 13.429 -15.970 32.250 1.00 17.81 H new ATOM 0 HB2 GLN B 21 12.487 -17.963 31.207 1.00 18.52 H new ATOM 0 HB3 GLN B 21 12.279 -17.139 29.899 1.00 18.52 H new ATOM 0 HG2 GLN B 21 14.508 -17.047 29.481 1.00 18.33 H new ATOM 0 HG3 GLN B 21 14.870 -17.493 30.931 1.00 18.33 H new ATOM 0 HE21 GLN B 21 15.695 -18.721 28.473 1.00 20.92 H new ATOM 0 HE22 GLN B 21 15.302 -20.157 28.518 1.00 20.92 H new ATOM 1253 N ILE B 22 14.605 -14.479 30.785 1.00 14.37 N ATOM 1254 CA ILE B 22 15.269 -13.445 29.984 1.00 13.07 C ATOM 1255 C ILE B 22 16.450 -14.074 29.270 1.00 13.43 C ATOM 1256 O ILE B 22 17.352 -14.631 29.927 1.00 13.99 O ATOM 1257 CB ILE B 22 15.730 -12.276 30.862 1.00 12.15 C ATOM 1258 CG1 ILE B 22 14.490 -11.532 31.358 1.00 13.43 C ATOM 1259 CG2 ILE B 22 16.681 -11.316 30.073 1.00 12.18 C ATOM 1260 CD1 ILE B 22 14.784 -10.405 32.393 1.00 13.23 C ATOM 0 H ILE B 22 15.115 -14.853 31.368 1.00 14.37 H new ATOM 0 HA ILE B 22 14.642 -13.088 29.336 1.00 13.07 H new ATOM 0 HB ILE B 22 16.236 -12.615 31.617 1.00 12.15 H new ATOM 0 HG12 ILE B 22 14.033 -11.144 30.595 1.00 13.43 H new ATOM 0 HG13 ILE B 22 13.881 -12.172 31.758 1.00 13.43 H new ATOM 0 HG21 ILE B 22 16.957 -10.587 30.650 1.00 12.18 H new ATOM 0 HG22 ILE B 22 17.463 -11.807 29.776 1.00 12.18 H new ATOM 0 HG23 ILE B 22 16.213 -10.958 29.302 1.00 12.18 H new ATOM 0 HD11 ILE B 22 13.952 -9.983 32.657 1.00 13.23 H new ATOM 0 HD12 ILE B 22 15.215 -10.787 33.174 1.00 13.23 H new ATOM 0 HD13 ILE B 22 15.369 -9.743 31.993 1.00 13.23 H new ATOM 1261 N ASP B 23 16.460 -14.009 27.932 1.00 12.63 N ATOM 1262 CA ASP B 23 17.560 -14.542 27.152 1.00 13.90 C ATOM 1263 C ASP B 23 18.407 -13.425 26.597 1.00 13.71 C ATOM 1264 O ASP B 23 17.880 -12.498 25.977 1.00 14.74 O ATOM 1265 CB ASP B 23 17.062 -15.399 25.982 1.00 14.27 C ATOM 1266 CG ASP B 23 16.214 -16.568 26.412 1.00 17.40 C ATOM 1267 OD1 ASP B 23 16.512 -17.215 27.445 1.00 19.51 O ATOM 1268 OD2 ASP B 23 15.241 -16.860 25.688 1.00 22.72 O ATOM 0 H ASP B 23 15.831 -13.656 27.464 1.00 12.63 H new ATOM 0 HA ASP B 23 18.086 -15.096 27.750 1.00 13.90 H new ATOM 0 HB2 ASP B 23 16.548 -14.841 25.377 1.00 14.27 H new ATOM 0 HB3 ASP B 23 17.826 -15.729 25.484 1.00 14.27 H new ATOM 1269 N LEU B 24 19.703 -13.482 26.853 1.00 13.35 N ATOM 1270 CA LEU B 24 20.652 -12.465 26.399 1.00 13.71 C ATOM 1271 C LEU B 24 21.581 -13.072 25.359 1.00 15.52 C ATOM 1272 O LEU B 24 22.161 -14.137 25.583 1.00 17.27 O ATOM 1273 CB LEU B 24 21.437 -11.873 27.561 1.00 13.47 C ATOM 1274 CG LEU B 24 20.551 -11.308 28.677 1.00 13.11 C ATOM 1275 CD1 LEU B 24 21.387 -10.926 29.890 1.00 16.37 C ATOM 1276 CD2 LEU B 24 19.687 -10.097 28.193 1.00 14.32 C ATOM 0 H LEU B 24 20.067 -14.119 27.301 1.00 13.35 H new ATOM 0 HA LEU B 24 20.157 -11.735 25.995 1.00 13.71 H new ATOM 0 HB2 LEU B 24 22.015 -12.557 27.933 1.00 13.47 H new ATOM 0 HB3 LEU B 24 22.012 -11.167 27.226 1.00 13.47 H new ATOM 0 HG LEU B 24 19.935 -12.011 28.935 1.00 13.11 H new ATOM 0 HD11 LEU B 24 20.809 -10.571 30.583 1.00 16.37 H new ATOM 0 HD12 LEU B 24 21.849 -11.710 30.225 1.00 16.37 H new ATOM 0 HD13 LEU B 24 22.037 -10.252 29.636 1.00 16.37 H new ATOM 0 HD21 LEU B 24 19.144 -9.772 28.928 1.00 14.32 H new ATOM 0 HD22 LEU B 24 20.270 -9.386 27.884 1.00 14.32 H new ATOM 0 HD23 LEU B 24 19.110 -10.381 27.466 1.00 14.32 H new ATOM 1277 N ASN B 25 21.674 -12.438 24.197 1.00 14.74 N ATOM 1278 CA ASN B 25 22.610 -12.875 23.146 1.00 16.45 C ATOM 1279 C ASN B 25 23.663 -11.810 23.073 1.00 16.67 C ATOM 1280 O ASN B 25 23.335 -10.628 22.861 1.00 16.19 O ATOM 1281 CB ASN B 25 21.895 -12.973 21.785 1.00 17.15 C ATOM 1282 CG ASN B 25 21.018 -14.203 21.651 1.00 21.32 C ATOM 1283 OD1 ASN B 25 19.919 -14.262 22.397 1.00 29.55 O flip ATOM 1284 ND2 ASN B 25 21.326 -15.093 20.854 1.00 23.13 N flip ATOM 0 H ASN B 25 21.205 -11.748 23.989 1.00 14.74 H new ATOM 0 HA ASN B 25 22.978 -13.749 23.349 1.00 16.45 H new ATOM 0 HB2 ASN B 25 21.351 -12.181 21.656 1.00 17.15 H new ATOM 0 HB3 ASN B 25 22.559 -12.979 21.078 1.00 17.15 H new ATOM 0 HD21 ASN B 25 22.045 -15.022 20.387 1.00 23.13 H new ATOM 0 HD22 ASN B 25 20.822 -15.784 20.765 1.00 23.13 H new ATOM 1285 N AILE B 26 24.923 -12.161 23.314 0.50 16.01 N ATOM 1286 N BILE B 26 24.935 -12.198 23.178 0.50 16.30 N ATOM 1287 CA AILE B 26 25.962 -11.149 23.280 0.50 15.64 C ATOM 1288 CA BILE B 26 26.022 -11.249 23.409 0.50 16.11 C ATOM 1289 C AILE B 26 26.995 -11.412 22.196 0.50 15.54 C ATOM 1290 C BILE B 26 27.207 -11.442 22.442 0.50 15.93 C ATOM 1291 O AILE B 26 27.099 -12.533 21.660 0.50 15.50 O ATOM 1292 O BILE B 26 27.634 -12.575 22.219 0.50 16.68 O ATOM 1293 CB AILE B 26 26.659 -10.965 24.635 0.50 15.85 C ATOM 1294 CB BILE B 26 26.490 -11.396 24.860 0.50 16.53 C ATOM 1295 CG1AILE B 26 27.600 -12.128 24.927 0.50 16.59 C ATOM 1296 CG1BILE B 26 27.509 -10.324 25.233 0.50 17.11 C ATOM 1297 CG2AILE B 26 25.627 -10.775 25.763 0.50 15.18 C ATOM 1298 CG2BILE B 26 27.032 -12.792 25.107 0.50 16.15 C ATOM 1299 CD1AILE B 26 28.341 -11.938 26.177 0.50 17.47 C ATOM 1300 CD1BILE B 26 27.837 -10.331 26.696 0.50 20.66 C ATOM 0 H AILE B 26 25.189 -12.959 23.494 0.50 16.30 H new ATOM 0 H BILE B 26 25.190 -13.017 23.117 0.50 16.30 H new ATOM 0 HA AILE B 26 25.502 -10.322 23.067 0.50 16.11 H new ATOM 0 HA BILE B 26 25.683 -10.356 23.243 0.50 16.11 H new ATOM 0 HB AILE B 26 27.197 -10.159 24.592 0.50 16.53 H new ATOM 0 HB BILE B 26 25.721 -11.267 25.437 0.50 16.53 H new ATOM 0 HG12AILE B 26 27.089 -12.951 24.977 0.50 17.11 H new ATOM 0 HG12BILE B 26 28.321 -10.462 24.721 0.50 17.11 H new ATOM 0 HG13AILE B 26 28.226 -12.228 24.193 0.50 17.11 H new ATOM 0 HG13BILE B 26 27.163 -9.452 24.986 0.50 17.11 H new ATOM 0 HG21AILE B 26 26.089 -10.661 26.608 0.50 16.15 H new ATOM 0 HG21BILE B 26 27.323 -12.868 26.029 0.50 16.15 H new ATOM 0 HG22AILE B 26 25.089 -9.989 25.580 0.50 16.15 H new ATOM 0 HG22BILE B 26 26.336 -13.445 24.934 0.50 16.15 H new ATOM 0 HG23AILE B 26 25.053 -11.555 25.811 0.50 16.15 H new ATOM 0 HG23BILE B 26 27.784 -12.957 24.516 0.50 16.15 H new ATOM 0 HD11AILE B 26 28.926 -12.697 26.325 0.50 20.66 H new ATOM 0 HD11BILE B 26 28.486 -9.636 26.886 0.50 20.66 H new ATOM 0 HD12AILE B 26 28.872 -11.128 26.119 0.50 20.66 H new ATOM 0 HD12BILE B 26 27.030 -10.168 27.209 0.50 20.66 H new ATOM 0 HD13AILE B 26 27.716 -11.863 26.915 0.50 20.66 H new ATOM 0 HD13BILE B 26 28.207 -11.194 26.941 0.50 20.66 H new ATOM 1301 N THR B 27 27.723 -10.353 21.859 1.00 15.49 N ATOM 1302 CA THR B 27 28.835 -10.434 20.902 1.00 15.83 C ATOM 1303 C THR B 27 30.181 -10.591 21.587 1.00 17.00 C ATOM 1304 O THR B 27 30.312 -10.393 22.810 1.00 16.88 O ATOM 1305 CB THR B 27 28.948 -9.172 19.998 1.00 15.15 C ATOM 1306 OG1 THR B 27 29.275 -8.016 20.786 1.00 14.20 O ATOM 1307 CG2 THR B 27 27.663 -8.949 19.180 1.00 15.47 C ATOM 0 H ATHR B 27 27.590 -9.565 22.176 0.50 15.49 H new ATOM 0 H BTHR B 27 27.441 -9.554 22.006 0.50 15.49 H new ATOM 0 HA THR B 27 28.628 -11.216 20.367 1.00 15.83 H new ATOM 0 HB THR B 27 29.668 -9.319 19.365 1.00 15.15 H new ATOM 0 HG1 THR B 27 30.100 -8.007 20.942 1.00 14.20 H new ATOM 0 HG21 THR B 27 27.764 -8.158 18.628 1.00 15.47 H new ATOM 0 HG22 THR B 27 27.502 -9.720 18.613 1.00 15.47 H new ATOM 0 HG23 THR B 27 26.912 -8.829 19.783 1.00 15.47 H new ATOM 1308 N CYS B 28 31.205 -10.904 20.787 1.00 18.91 N ATOM 1309 CA CYS B 28 32.570 -10.683 21.239 1.00 19.91 C ATOM 1310 C CYS B 28 32.778 -9.216 21.618 1.00 19.65 C ATOM 1311 O CYS B 28 32.002 -8.318 21.200 1.00 19.64 O ATOM 1312 CB CYS B 28 33.561 -11.112 20.143 1.00 20.95 C ATOM 1313 SG CYS B 28 33.363 -12.820 19.724 1.00 25.06 S ATOM 0 H CYS B 28 31.129 -11.237 19.998 1.00 18.91 H new ATOM 0 HA CYS B 28 32.731 -11.222 22.029 1.00 19.91 H new ATOM 0 HB2 CYS B 28 33.428 -10.566 19.352 1.00 20.95 H new ATOM 0 HB3 CYS B 28 34.469 -10.955 20.446 1.00 20.95 H new ATOM 1314 N ARG B 29 33.819 -8.958 22.409 1.00 19.24 N ATOM 1315 CA ARG B 29 34.173 -7.592 22.791 1.00 18.96 C ATOM 1316 C ARG B 29 35.226 -7.031 21.866 1.00 20.25 C ATOM 1317 O ARG B 29 36.188 -7.732 21.533 1.00 20.60 O ATOM 1318 CB ARG B 29 34.704 -7.490 24.227 1.00 19.82 C ATOM 1319 CG ARG B 29 33.627 -7.388 25.301 1.00 19.13 C ATOM 1320 CD ARG B 29 32.811 -8.658 25.373 1.00 19.93 C ATOM 1321 NE ARG B 29 33.610 -9.794 25.847 1.00 21.32 N ATOM 1322 CZ ARG B 29 33.351 -11.066 25.576 1.00 21.05 C ATOM 1323 NH1 ARG B 29 32.322 -11.419 24.812 1.00 20.08 N ATOM 1324 NH2 ARG B 29 34.148 -12.004 26.084 1.00 23.18 N ATOM 0 H ARG B 29 34.335 -9.563 22.736 1.00 19.24 H new ATOM 0 HA ARG B 29 33.350 -7.082 22.727 1.00 18.96 H new ATOM 0 HB2 ARG B 29 35.254 -8.268 24.411 1.00 19.82 H new ATOM 0 HB3 ARG B 29 35.281 -6.713 24.291 1.00 19.82 H new ATOM 0 HG2 ARG B 29 34.039 -7.215 26.162 1.00 19.13 H new ATOM 0 HG3 ARG B 29 33.045 -6.636 25.110 1.00 19.13 H new ATOM 0 HD2 ARG B 29 32.056 -8.524 25.967 1.00 19.93 H new ATOM 0 HD3 ARG B 29 32.450 -8.860 24.496 1.00 19.93 H new ATOM 0 HE ARG B 29 34.296 -9.622 26.336 1.00 21.32 H new ATOM 0 HH11 ARG B 29 31.806 -10.816 24.481 1.00 20.08 H new ATOM 0 HH12 ARG B 29 32.173 -12.250 24.649 1.00 20.08 H new ATOM 0 HH21 ARG B 29 34.816 -11.780 26.577 1.00 23.18 H new ATOM 0 HH22 ARG B 29 33.995 -12.834 25.919 1.00 23.18 H new ATOM 1325 N PHE B 30 35.043 -5.771 21.471 1.00 18.87 N ATOM 1326 CA PHE B 30 35.983 -5.060 20.609 1.00 19.79 C ATOM 1327 C PHE B 30 36.410 -3.801 21.330 1.00 19.41 C ATOM 1328 O PHE B 30 35.626 -2.861 21.484 1.00 19.54 O ATOM 1329 CB PHE B 30 35.300 -4.692 19.283 1.00 19.34 C ATOM 1330 CG PHE B 30 35.031 -5.849 18.375 1.00 20.45 C ATOM 1331 CD1 PHE B 30 35.828 -6.041 17.226 1.00 23.24 C ATOM 1332 CD2 PHE B 30 33.986 -6.750 18.625 1.00 20.28 C ATOM 1333 CE1 PHE B 30 35.593 -7.108 16.364 1.00 22.03 C ATOM 1334 CE2 PHE B 30 33.740 -7.817 17.762 1.00 20.11 C ATOM 1335 CZ PHE B 30 34.549 -8.001 16.628 1.00 20.16 C ATOM 0 H PHE B 30 34.360 -5.301 21.700 1.00 18.87 H new ATOM 0 HA PHE B 30 36.752 -5.618 20.414 1.00 19.79 H new ATOM 0 HB2 PHE B 30 34.460 -4.248 19.479 1.00 19.34 H new ATOM 0 HB3 PHE B 30 35.857 -4.051 18.814 1.00 19.34 H new ATOM 0 HD1 PHE B 30 36.519 -5.447 17.043 1.00 23.24 H new ATOM 0 HD2 PHE B 30 33.450 -6.634 19.376 1.00 20.28 H new ATOM 0 HE1 PHE B 30 36.129 -7.227 15.614 1.00 22.03 H new ATOM 0 HE2 PHE B 30 33.042 -8.406 17.937 1.00 20.11 H new ATOM 0 HZ PHE B 30 34.391 -8.715 16.054 1.00 20.16 H new ATOM 1336 N ALA B 31 37.664 -3.768 21.781 1.00 19.91 N ATOM 1337 CA ALA B 31 38.156 -2.690 22.635 1.00 19.59 C ATOM 1338 C ALA B 31 37.177 -2.467 23.783 1.00 19.08 C ATOM 1339 O ALA B 31 36.849 -1.327 24.120 1.00 20.16 O ATOM 1340 CB ALA B 31 38.373 -1.399 21.833 1.00 20.09 C ATOM 0 H ALA B 31 38.252 -4.369 21.600 1.00 19.91 H new ATOM 0 HA ALA B 31 39.018 -2.946 23.000 1.00 19.59 H new ATOM 0 HB1 ALA B 31 38.699 -0.702 22.424 1.00 20.09 H new ATOM 0 HB2 ALA B 31 39.024 -1.559 21.132 1.00 20.09 H new ATOM 0 HB3 ALA B 31 37.533 -1.119 21.436 1.00 20.09 H new ATOM 1341 N GLY B 32 36.718 -3.574 24.371 1.00 18.88 N ATOM 1342 CA GLY B 32 35.821 -3.505 25.516 1.00 17.64 C ATOM 1343 C GLY B 32 34.345 -3.359 25.199 1.00 17.86 C ATOM 1344 O GLY B 32 33.518 -3.578 26.068 1.00 17.09 O ATOM 0 H GLY B 32 36.916 -4.372 24.119 1.00 18.88 H new ATOM 0 HA2 GLY B 32 35.941 -4.308 26.047 1.00 17.64 H new ATOM 0 HA3 GLY B 32 36.090 -2.756 26.070 1.00 17.64 H new ATOM 1345 N VAL B 33 34.016 -2.978 23.966 1.00 16.68 N ATOM 1346 CA VAL B 33 32.613 -2.775 23.566 1.00 15.58 C ATOM 1347 C VAL B 33 31.930 -4.060 23.071 1.00 14.91 C ATOM 1348 O VAL B 33 32.498 -4.813 22.259 1.00 15.31 O ATOM 1349 CB VAL B 33 32.516 -1.643 22.502 1.00 15.55 C ATOM 1350 CG1 VAL B 33 31.067 -1.483 22.004 1.00 16.91 C ATOM 1351 CG2 VAL B 33 33.045 -0.353 23.058 1.00 16.10 C ATOM 0 H VAL B 33 34.588 -2.830 23.341 1.00 16.68 H new ATOM 0 HA VAL B 33 32.129 -2.507 24.363 1.00 15.58 H new ATOM 0 HB VAL B 33 33.064 -1.889 21.740 1.00 15.55 H new ATOM 0 HG11 VAL B 33 31.028 -0.774 21.343 1.00 16.91 H new ATOM 0 HG12 VAL B 33 30.769 -2.315 21.604 1.00 16.91 H new ATOM 0 HG13 VAL B 33 30.491 -1.259 22.751 1.00 16.91 H new ATOM 0 HG21 VAL B 33 32.978 0.342 22.384 1.00 16.10 H new ATOM 0 HG22 VAL B 33 32.525 -0.099 23.837 1.00 16.10 H new ATOM 0 HG23 VAL B 33 33.974 -0.467 23.313 1.00 16.10 H new ATOM 1352 N PHE B 34 30.697 -4.315 23.532 1.00 13.95 N ATOM 1353 CA PHE B 34 29.937 -5.456 23.035 1.00 14.10 C ATOM 1354 C PHE B 34 28.456 -5.058 22.900 1.00 13.20 C ATOM 1355 O PHE B 34 28.026 -4.054 23.467 1.00 13.60 O ATOM 1356 CB PHE B 34 30.121 -6.736 23.888 1.00 14.65 C ATOM 1357 CG PHE B 34 29.770 -6.576 25.348 1.00 15.06 C ATOM 1358 CD1 PHE B 34 28.635 -7.197 25.867 1.00 16.43 C ATOM 1359 CD2 PHE B 34 30.567 -5.822 26.210 1.00 16.65 C ATOM 1360 CE1 PHE B 34 28.319 -7.075 27.234 1.00 18.53 C ATOM 1361 CE2 PHE B 34 30.257 -5.703 27.580 1.00 17.70 C ATOM 1362 CZ PHE B 34 29.124 -6.326 28.078 1.00 17.36 C ATOM 0 H PHE B 34 30.292 -3.842 24.125 1.00 13.95 H new ATOM 0 HA PHE B 34 30.287 -5.689 22.161 1.00 14.10 H new ATOM 0 HB2 PHE B 34 29.573 -7.442 23.512 1.00 14.65 H new ATOM 0 HB3 PHE B 34 31.044 -7.026 23.820 1.00 14.65 H new ATOM 0 HD1 PHE B 34 28.083 -7.695 25.307 1.00 16.43 H new ATOM 0 HD2 PHE B 34 31.318 -5.389 25.874 1.00 16.65 H new ATOM 0 HE1 PHE B 34 27.565 -7.500 27.573 1.00 18.53 H new ATOM 0 HE2 PHE B 34 30.808 -5.211 28.145 1.00 17.70 H new ATOM 0 HZ PHE B 34 28.904 -6.242 28.978 1.00 17.36 H new ATOM 1363 N HIS B 35 27.757 -5.812 22.076 1.00 13.31 N ATOM 1364 CA HIS B 35 26.327 -5.664 21.833 1.00 13.01 C ATOM 1365 C HIS B 35 25.560 -6.746 22.596 1.00 13.00 C ATOM 1366 O HIS B 35 25.952 -7.925 22.627 1.00 13.53 O ATOM 1367 CB HIS B 35 26.104 -5.788 20.316 1.00 12.75 C ATOM 1368 CG HIS B 35 24.669 -5.967 19.907 1.00 13.94 C ATOM 1369 ND1 HIS B 35 24.190 -7.135 19.345 1.00 13.45 N ATOM 1370 CD2 HIS B 35 23.615 -5.118 19.971 1.00 13.46 C ATOM 1371 CE1 HIS B 35 22.896 -7.001 19.095 1.00 14.16 C ATOM 1372 NE2 HIS B 35 22.528 -5.784 19.458 1.00 12.09 N ATOM 0 H HIS B 35 28.111 -6.451 21.622 1.00 13.31 H new ATOM 0 HA HIS B 35 26.003 -4.804 22.143 1.00 13.01 H new ATOM 0 HB2 HIS B 35 26.455 -4.994 19.884 1.00 12.75 H new ATOM 0 HB3 HIS B 35 26.618 -6.541 19.986 1.00 12.75 H new ATOM 0 HD2 HIS B 35 23.625 -4.248 20.300 1.00 13.46 H new ATOM 0 HE1 HIS B 35 22.342 -7.651 18.727 1.00 14.16 H new ATOM 0 HE2 HIS B 35 21.734 -5.461 19.385 1.00 12.09 H new ATOM 1373 N VAL B 36 24.443 -6.345 23.210 1.00 12.15 N ATOM 1374 CA VAL B 36 23.584 -7.283 23.915 1.00 12.70 C ATOM 1375 C VAL B 36 22.170 -7.120 23.391 1.00 11.91 C ATOM 1376 O VAL B 36 21.646 -6.007 23.367 1.00 12.63 O ATOM 1377 CB VAL B 36 23.546 -7.033 25.451 1.00 13.33 C ATOM 1378 CG1 VAL B 36 22.747 -8.145 26.130 1.00 16.00 C ATOM 1379 CG2 VAL B 36 24.960 -7.009 26.051 1.00 14.89 C ATOM 0 H VAL B 36 24.169 -5.530 23.227 1.00 12.15 H new ATOM 0 HA VAL B 36 23.940 -8.172 23.763 1.00 12.70 H new ATOM 0 HB VAL B 36 23.129 -6.170 25.601 1.00 13.33 H new ATOM 0 HG11 VAL B 36 22.724 -7.989 27.087 1.00 16.00 H new ATOM 0 HG12 VAL B 36 21.842 -8.152 25.782 1.00 16.00 H new ATOM 0 HG13 VAL B 36 23.168 -9.001 25.953 1.00 16.00 H new ATOM 0 HG21 VAL B 36 24.904 -6.852 27.007 1.00 14.89 H new ATOM 0 HG22 VAL B 36 25.395 -7.861 25.889 1.00 14.89 H new ATOM 0 HG23 VAL B 36 25.475 -6.299 25.637 1.00 14.89 H new ATOM 1380 N GLU B 37 21.576 -8.234 22.993 1.00 11.82 N ATOM 1381 CA GLU B 37 20.173 -8.273 22.567 1.00 11.57 C ATOM 1382 C GLU B 37 19.365 -9.146 23.509 1.00 12.74 C ATOM 1383 O GLU B 37 19.792 -10.254 23.834 1.00 13.63 O ATOM 1384 CB GLU B 37 20.084 -8.788 21.131 1.00 13.14 C ATOM 1385 CG GLU B 37 18.687 -8.781 20.575 1.00 12.67 C ATOM 1386 CD GLU B 37 18.638 -9.118 19.078 1.00 12.96 C ATOM 1387 OE1 GLU B 37 19.579 -8.747 18.368 1.00 16.61 O ATOM 1388 OE2 GLU B 37 17.639 -9.725 18.665 1.00 15.83 O ATOM 0 H GLU B 37 21.972 -8.997 22.960 1.00 11.82 H new ATOM 0 HA GLU B 37 19.803 -7.377 22.596 1.00 11.57 H new ATOM 0 HB2 GLU B 37 20.652 -8.243 20.564 1.00 13.14 H new ATOM 0 HB3 GLU B 37 20.433 -9.692 21.097 1.00 13.14 H new ATOM 0 HG2 GLU B 37 18.146 -9.421 21.064 1.00 12.67 H new ATOM 0 HG3 GLU B 37 18.291 -7.907 20.718 1.00 12.67 H new ATOM 1389 N LYS B 38 18.189 -8.663 23.917 1.00 10.74 N ATOM 1390 CA LYS B 38 17.323 -9.392 24.847 1.00 10.93 C ATOM 1391 C LYS B 38 16.165 -10.056 24.115 1.00 11.03 C ATOM 1392 O LYS B 38 15.431 -9.398 23.367 1.00 10.81 O ATOM 1393 CB LYS B 38 16.815 -8.420 25.929 1.00 10.30 C ATOM 1394 CG LYS B 38 15.780 -9.000 26.844 1.00 11.36 C ATOM 1395 CD LYS B 38 15.235 -7.976 27.810 1.00 11.41 C ATOM 1396 CE LYS B 38 14.205 -8.604 28.713 1.00 13.01 C ATOM 1397 NZ LYS B 38 13.513 -7.554 29.534 1.00 12.46 N ATOM 0 H LYS B 38 17.872 -7.905 23.663 1.00 10.74 H new ATOM 0 HA LYS B 38 17.834 -10.100 25.270 1.00 10.93 H new ATOM 0 HB2 LYS B 38 17.570 -8.121 26.460 1.00 10.30 H new ATOM 0 HB3 LYS B 38 16.445 -7.635 25.495 1.00 10.30 H new ATOM 0 HG2 LYS B 38 15.052 -9.364 26.317 1.00 11.36 H new ATOM 0 HG3 LYS B 38 16.167 -9.738 27.341 1.00 11.36 H new ATOM 0 HD2 LYS B 38 15.958 -7.607 28.341 1.00 11.41 H new ATOM 0 HD3 LYS B 38 14.838 -7.239 27.320 1.00 11.41 H new ATOM 0 HE2 LYS B 38 13.554 -9.088 28.182 1.00 13.01 H new ATOM 0 HE3 LYS B 38 14.631 -9.250 29.298 1.00 13.01 H new ATOM 0 HZ1 LYS B 38 12.994 -7.946 30.141 1.00 12.46 H new ATOM 0 HZ2 LYS B 38 14.121 -7.050 29.945 1.00 12.46 H new ATOM 0 HZ3 LYS B 38 13.014 -7.043 29.003 1.00 12.46 H new ATOM 1398 N ASN B 39 16.010 -11.367 24.329 1.00 11.25 N ATOM 1399 CA ASN B 39 14.837 -12.101 23.870 1.00 11.36 C ATOM 1400 C ASN B 39 14.651 -12.132 22.355 1.00 11.10 C ATOM 1401 O ASN B 39 13.531 -12.333 21.878 1.00 12.77 O ATOM 1402 CB ASN B 39 13.564 -11.619 24.531 1.00 10.99 C ATOM 1403 CG ASN B 39 13.489 -11.993 25.990 1.00 13.22 C ATOM 1404 OD1 ASN B 39 14.184 -12.903 26.438 1.00 16.42 O ATOM 1405 ND2 ASN B 39 12.623 -11.299 26.741 1.00 15.82 N ATOM 0 H ASN B 39 16.586 -11.852 24.745 1.00 11.25 H new ATOM 0 HA ASN B 39 15.017 -13.014 24.144 1.00 11.36 H new ATOM 0 HB2 ASN B 39 13.504 -10.655 24.445 1.00 10.99 H new ATOM 0 HB3 ASN B 39 12.800 -11.994 24.065 1.00 10.99 H new ATOM 0 HD21 ASN B 39 12.535 -11.483 27.576 1.00 15.82 H new ATOM 0 HD22 ASN B 39 12.156 -10.670 26.388 1.00 15.82 H new ATOM 1406 N GLY B 40 15.733 -11.902 21.625 1.00 11.93 N ATOM 1407 CA GLY B 40 15.685 -12.020 20.165 1.00 11.92 C ATOM 1408 C GLY B 40 14.891 -10.933 19.474 1.00 11.49 C ATOM 1409 O GLY B 40 14.516 -11.099 18.310 1.00 13.49 O ATOM 0 H GLY B 40 16.499 -11.679 21.946 1.00 11.93 H new ATOM 0 HA2 GLY B 40 16.592 -12.011 19.821 1.00 11.92 H new ATOM 0 HA3 GLY B 40 15.303 -12.881 19.934 1.00 11.92 H new ATOM 1410 N AARG B 41 14.654 -9.818 20.152 0.50 10.69 N ATOM 1411 N BARG B 41 14.610 -9.843 20.183 0.50 11.17 N ATOM 1412 CA AARG B 41 13.879 -8.713 19.567 0.50 10.69 C ATOM 1413 CA BARG B 41 13.854 -8.708 19.629 0.50 11.57 C ATOM 1414 C AARG B 41 14.199 -7.432 20.333 0.50 10.22 C ATOM 1415 C BARG B 41 14.401 -7.412 20.233 0.50 10.81 C ATOM 1416 O AARG B 41 14.700 -7.498 21.461 0.50 10.20 O ATOM 1417 O BARG B 41 15.239 -7.441 21.147 0.50 10.78 O ATOM 1418 CB AARG B 41 12.390 -9.017 19.622 0.50 11.48 C ATOM 1419 CB BARG B 41 12.365 -8.821 19.953 0.50 12.69 C ATOM 1420 CG AARG B 41 11.829 -9.029 21.036 0.50 11.03 C ATOM 1421 CG BARG B 41 11.676 -10.080 19.456 0.50 14.63 C ATOM 1422 CD AARG B 41 10.414 -9.619 21.107 0.50 17.25 C ATOM 1423 CD BARG B 41 10.223 -10.108 19.912 0.50 20.76 C ATOM 1424 NE AARG B 41 10.088 -9.964 22.482 0.50 21.29 N ATOM 1425 NE BARG B 41 9.898 -11.320 20.655 0.50 24.79 N ATOM 1426 CZ AARG B 41 10.007 -11.208 22.947 0.50 22.09 C ATOM 1427 CZ BARG B 41 10.617 -12.445 20.655 0.50 23.61 C ATOM 1428 NH1AARG B 41 9.718 -11.418 24.226 0.50 22.95 N ATOM 1429 NH1BARG B 41 10.214 -13.476 21.387 0.50 25.16 N ATOM 1430 NH2AARG B 41 10.191 -12.239 22.137 0.50 22.08 N ATOM 1431 NH2BARG B 41 11.721 -12.550 19.924 0.50 22.83 N ATOM 0 H AARG B 41 14.930 -9.674 20.954 0.50 11.17 H new ATOM 0 H BARG B 41 14.851 -9.735 21.002 0.50 11.17 H new ATOM 0 HA AARG B 41 14.121 -8.601 18.634 0.50 11.57 H new ATOM 0 HA BARG B 41 13.956 -8.710 18.664 0.50 11.57 H new ATOM 0 HB2AARG B 41 11.912 -8.356 19.097 0.50 12.69 H new ATOM 0 HB2BARG B 41 12.256 -8.771 20.916 0.50 12.69 H new ATOM 0 HB3AARG B 41 12.227 -9.879 19.209 0.50 12.69 H new ATOM 0 HB3BARG B 41 11.910 -8.052 19.575 0.50 12.69 H new ATOM 0 HG2AARG B 41 12.419 -9.543 21.610 0.50 14.63 H new ATOM 0 HG2BARG B 41 11.718 -10.117 18.488 0.50 14.63 H new ATOM 0 HG3AARG B 41 11.815 -8.123 21.382 0.50 14.63 H new ATOM 0 HG3BARG B 41 12.141 -10.863 19.790 0.50 14.63 H new ATOM 0 HD2AARG B 41 9.771 -8.979 20.765 0.50 20.76 H new ATOM 0 HD2BARG B 41 10.046 -9.333 20.468 0.50 20.76 H new ATOM 0 HD3AARG B 41 10.356 -10.407 20.545 0.50 20.76 H new ATOM 0 HD3BARG B 41 9.642 -10.040 19.138 0.50 20.76 H new ATOM 0 HE AARG B 41 9.937 -9.320 23.032 0.50 24.79 H new ATOM 0 HE BARG B 41 9.183 -11.309 21.133 0.50 24.79 H new ATOM 0 HH11AARG B 41 9.584 -10.751 24.752 0.50 25.16 H new ATOM 0 HH11BARG B 41 9.495 -13.416 21.856 0.50 25.16 H new ATOM 0 HH12AARG B 41 9.665 -12.221 24.529 0.50 25.16 H new ATOM 0 HH12BARG B 41 10.671 -14.204 21.393 0.50 25.16 H new ATOM 0 HH21AARG B 41 10.364 -12.107 21.305 0.50 22.83 H new ATOM 0 HH21BARG B 41 11.982 -11.888 19.442 0.50 22.83 H new ATOM 0 HH22AARG B 41 10.138 -13.041 22.443 0.50 22.83 H new ATOM 0 HH22BARG B 41 12.175 -13.280 19.933 0.50 22.83 H new ATOM 1432 N TYR B 42 13.931 -6.272 19.723 1.00 9.77 N ATOM 1433 CA TYR B 42 14.222 -4.992 20.371 1.00 9.85 C ATOM 1434 C TYR B 42 13.341 -4.913 21.598 1.00 9.45 C ATOM 1435 O TYR B 42 12.110 -4.900 21.499 1.00 10.46 O ATOM 1436 CB TYR B 42 13.889 -3.826 19.422 1.00 9.44 C ATOM 1437 CG TYR B 42 14.910 -3.560 18.329 1.00 10.11 C ATOM 1438 CD1 TYR B 42 16.258 -3.346 18.632 1.00 9.77 C ATOM 1439 CD2 TYR B 42 14.521 -3.491 16.982 1.00 9.42 C ATOM 1440 CE1 TYR B 42 17.199 -3.080 17.665 1.00 9.74 C ATOM 1441 CE2 TYR B 42 15.462 -3.249 15.990 1.00 8.97 C ATOM 1442 CZ TYR B 42 16.792 -3.004 16.339 1.00 10.08 C ATOM 1443 OH TYR B 42 17.745 -2.758 15.376 1.00 10.65 O ATOM 0 H ATYR B 42 13.583 -6.207 18.939 0.50 9.77 H new ATOM 0 H BTYR B 42 13.449 -6.218 19.013 0.50 9.77 H new ATOM 0 HA TYR B 42 15.162 -4.931 20.604 1.00 9.85 H new ATOM 0 HB2 TYR B 42 13.031 -4.004 19.005 1.00 9.44 H new ATOM 0 HB3 TYR B 42 13.786 -3.019 19.950 1.00 9.44 H new ATOM 0 HD1 TYR B 42 16.529 -3.385 19.521 1.00 9.77 H new ATOM 0 HD2 TYR B 42 13.627 -3.608 16.753 1.00 9.42 H new ATOM 0 HE1 TYR B 42 18.091 -2.953 17.895 1.00 9.74 H new ATOM 0 HE2 TYR B 42 15.207 -3.250 15.096 1.00 8.97 H new ATOM 0 HH TYR B 42 17.385 -2.763 14.617 1.00 10.65 H new ATOM 1444 N SER B 43 13.977 -4.915 22.777 1.00 9.64 N ATOM 1445 CA SER B 43 13.206 -4.987 23.993 1.00 9.90 C ATOM 1446 C SER B 43 13.879 -4.346 25.204 1.00 9.79 C ATOM 1447 O SER B 43 13.410 -4.563 26.336 1.00 10.66 O ATOM 1448 CB SER B 43 12.895 -6.446 24.303 1.00 11.82 C ATOM 1449 OG SER B 43 14.081 -7.145 24.564 1.00 13.88 O ATOM 0 H SER B 43 14.830 -4.876 22.880 1.00 9.64 H new ATOM 0 HA SER B 43 12.397 -4.476 23.832 1.00 9.90 H new ATOM 0 HB2 SER B 43 12.303 -6.502 25.069 1.00 11.82 H new ATOM 0 HB3 SER B 43 12.430 -6.851 23.554 1.00 11.82 H new ATOM 0 HG SER B 43 14.170 -7.765 24.004 1.00 13.88 H new ATOM 1450 N ILE B 44 14.926 -3.563 24.964 1.00 8.56 N ATOM 1451 CA ILE B 44 15.704 -2.951 26.058 1.00 8.88 C ATOM 1452 C ILE B 44 15.456 -1.443 26.093 1.00 9.30 C ATOM 1453 O ILE B 44 15.767 -0.743 25.130 1.00 10.37 O ATOM 1454 CB ILE B 44 17.190 -3.288 25.936 1.00 9.33 C ATOM 1455 CG1 ILE B 44 17.414 -4.826 25.993 1.00 9.13 C ATOM 1456 CG2 ILE B 44 17.996 -2.617 27.051 1.00 10.49 C ATOM 1457 CD1 ILE B 44 18.861 -5.244 25.575 1.00 10.09 C ATOM 0 H ILE B 44 15.209 -3.369 24.175 1.00 8.56 H new ATOM 0 HA ILE B 44 15.405 -3.323 26.903 1.00 8.88 H new ATOM 0 HB ILE B 44 17.496 -2.953 25.079 1.00 9.33 H new ATOM 0 HG12 ILE B 44 17.238 -5.141 26.893 1.00 9.13 H new ATOM 0 HG13 ILE B 44 16.774 -5.264 25.410 1.00 9.13 H new ATOM 0 HG21 ILE B 44 18.934 -2.844 26.954 1.00 10.49 H new ATOM 0 HG22 ILE B 44 17.889 -1.655 26.994 1.00 10.49 H new ATOM 0 HG23 ILE B 44 17.676 -2.926 27.913 1.00 10.49 H new ATOM 0 HD11 ILE B 44 18.947 -6.209 25.628 1.00 10.09 H new ATOM 0 HD12 ILE B 44 19.032 -4.954 24.665 1.00 10.09 H new ATOM 0 HD13 ILE B 44 19.503 -4.829 26.172 1.00 10.09 H new ATOM 1458 N SER B 45 14.887 -0.958 27.202 1.00 9.01 N ATOM 1459 CA SER B 45 14.722 0.494 27.399 1.00 9.95 C ATOM 1460 C SER B 45 16.032 1.173 27.829 1.00 10.44 C ATOM 1461 O SER B 45 17.036 0.512 28.147 1.00 11.42 O ATOM 1462 CB SER B 45 13.670 0.756 28.464 1.00 9.88 C ATOM 1463 OG SER B 45 14.211 0.285 29.714 1.00 10.80 O ATOM 0 H SER B 45 14.592 -1.444 27.847 1.00 9.01 H new ATOM 0 HA SER B 45 14.448 0.867 26.546 1.00 9.95 H new ATOM 0 HB2 SER B 45 13.461 1.702 28.515 1.00 9.88 H new ATOM 0 HB3 SER B 45 12.844 0.294 28.252 1.00 9.88 H new ATOM 0 HG SER B 45 13.606 0.280 30.297 1.00 10.80 H new ATOM 1464 N ARG B 46 16.038 2.492 27.866 1.00 10.23 N ATOM 1465 CA ARG B 46 17.233 3.221 28.275 1.00 10.64 C ATOM 1466 C ARG B 46 17.662 2.818 29.704 1.00 10.93 C ATOM 1467 O ARG B 46 18.844 2.635 29.964 1.00 9.88 O ATOM 1468 CB ARG B 46 16.988 4.737 28.171 1.00 12.29 C ATOM 1469 CG ARG B 46 18.121 5.618 28.666 1.00 15.63 C ATOM 1470 CD ARG B 46 19.488 5.247 28.196 1.00 21.51 C ATOM 1471 NE ARG B 46 20.482 6.102 28.845 1.00 23.80 N ATOM 1472 CZ ARG B 46 20.923 5.974 30.096 1.00 26.41 C ATOM 1473 NH1 ARG B 46 20.494 4.984 30.908 1.00 20.43 N ATOM 1474 NH2 ARG B 46 21.828 6.848 30.524 1.00 26.51 N ATOM 0 H ARG B 46 15.366 2.987 27.660 1.00 10.23 H new ATOM 0 HA ARG B 46 17.960 2.988 27.677 1.00 10.64 H new ATOM 0 HB2 ARG B 46 16.810 4.957 27.243 1.00 12.29 H new ATOM 0 HB3 ARG B 46 16.187 4.955 28.673 1.00 12.29 H new ATOM 0 HG2 ARG B 46 17.941 6.531 28.393 1.00 15.63 H new ATOM 0 HG3 ARG B 46 18.117 5.606 29.636 1.00 15.63 H new ATOM 0 HD2 ARG B 46 19.668 4.316 28.399 1.00 21.51 H new ATOM 0 HD3 ARG B 46 19.545 5.343 27.233 1.00 21.51 H new ATOM 0 HE ARG B 46 20.811 6.744 28.378 1.00 23.80 H new ATOM 0 HH11 ARG B 46 19.919 4.412 30.622 1.00 20.43 H new ATOM 0 HH12 ARG B 46 20.796 4.925 31.711 1.00 20.43 H new ATOM 0 HH21 ARG B 46 22.109 7.469 29.999 1.00 26.51 H new ATOM 0 HH22 ARG B 46 22.133 6.793 31.326 1.00 26.51 H new ATOM 1475 N THR B 47 16.696 2.714 30.614 1.00 10.14 N ATOM 1476 CA THR B 47 17.063 2.354 31.999 1.00 10.04 C ATOM 1477 C THR B 47 17.472 0.887 32.107 1.00 11.33 C ATOM 1478 O THR B 47 18.414 0.558 32.846 1.00 12.00 O ATOM 1479 CB THR B 47 15.957 2.709 33.009 1.00 9.35 C ATOM 1480 OG1 THR B 47 14.716 2.120 32.607 1.00 11.09 O ATOM 1481 CG2 THR B 47 15.781 4.227 33.132 1.00 10.54 C ATOM 0 H THR B 47 15.858 2.840 30.469 1.00 10.14 H new ATOM 0 HA THR B 47 17.836 2.892 32.232 1.00 10.04 H new ATOM 0 HB THR B 47 16.223 2.358 33.873 1.00 9.35 H new ATOM 0 HG1 THR B 47 14.720 1.301 32.795 1.00 11.09 H new ATOM 0 HG21 THR B 47 15.080 4.421 33.773 1.00 10.54 H new ATOM 0 HG22 THR B 47 16.612 4.626 33.432 1.00 10.54 H new ATOM 0 HG23 THR B 47 15.539 4.596 32.268 1.00 10.54 H new ATOM 1482 N GLU B 48 16.798 0.011 31.360 1.00 10.51 N ATOM 1483 CA GLU B 48 17.194 -1.410 31.400 1.00 10.81 C ATOM 1484 C GLU B 48 18.599 -1.589 30.811 1.00 11.08 C ATOM 1485 O GLU B 48 19.379 -2.430 31.279 1.00 11.28 O ATOM 1486 CB GLU B 48 16.162 -2.308 30.708 1.00 10.34 C ATOM 1487 CG GLU B 48 16.501 -3.802 30.894 1.00 10.17 C ATOM 1488 CD GLU B 48 15.296 -4.711 30.744 1.00 11.38 C ATOM 1489 OE1 GLU B 48 14.126 -4.237 30.757 1.00 12.17 O ATOM 1490 OE2 GLU B 48 15.543 -5.922 30.628 1.00 12.28 O ATOM 0 H GLU B 48 16.137 0.201 30.844 1.00 10.51 H new ATOM 0 HA GLU B 48 17.222 -1.690 32.328 1.00 10.81 H new ATOM 0 HB2 GLU B 48 15.280 -2.127 31.069 1.00 10.34 H new ATOM 0 HB3 GLU B 48 16.130 -2.097 29.762 1.00 10.34 H new ATOM 0 HG2 GLU B 48 17.175 -4.058 30.245 1.00 10.17 H new ATOM 0 HG3 GLU B 48 16.890 -3.932 31.773 1.00 10.17 H new ATOM 1491 N ALA B 49 18.934 -0.765 29.810 1.00 10.64 N ATOM 1492 CA ALA B 49 20.241 -0.840 29.173 1.00 10.20 C ATOM 1493 C ALA B 49 21.331 -0.578 30.214 1.00 11.36 C ATOM 1494 O ALA B 49 22.277 -1.336 30.289 1.00 12.23 O ATOM 1495 CB ALA B 49 20.342 0.169 27.996 1.00 10.72 C ATOM 0 H ALA B 49 18.415 -0.159 29.490 1.00 10.64 H new ATOM 0 HA ALA B 49 20.364 -1.729 28.806 1.00 10.20 H new ATOM 0 HB1 ALA B 49 21.219 0.102 27.587 1.00 10.72 H new ATOM 0 HB2 ALA B 49 19.661 -0.035 27.336 1.00 10.72 H new ATOM 0 HB3 ALA B 49 20.209 1.070 28.330 1.00 10.72 H new ATOM 1496 N ALA B 50 21.166 0.481 30.998 1.00 10.95 N ATOM 1497 CA ALA B 50 22.155 0.794 32.025 1.00 11.54 C ATOM 1498 C ALA B 50 22.212 -0.309 33.072 1.00 12.50 C ATOM 1499 O ALA B 50 23.319 -0.632 33.542 1.00 12.88 O ATOM 1500 CB ALA B 50 21.884 2.118 32.659 1.00 11.34 C ATOM 0 H ALA B 50 20.500 1.024 30.955 1.00 10.95 H new ATOM 0 HA ALA B 50 23.022 0.849 31.593 1.00 11.54 H new ATOM 0 HB1 ALA B 50 22.556 2.297 33.335 1.00 11.34 H new ATOM 0 HB2 ALA B 50 21.913 2.813 31.983 1.00 11.34 H new ATOM 0 HB3 ALA B 50 21.006 2.106 33.072 1.00 11.34 H new ATOM 1501 N ASP B 51 21.051 -0.824 33.481 1.00 12.15 N ATOM 1502 CA ASP B 51 21.039 -1.935 34.454 1.00 11.96 C ATOM 1503 C ASP B 51 21.774 -3.155 33.881 1.00 12.95 C ATOM 1504 O ASP B 51 22.479 -3.865 34.602 1.00 12.62 O ATOM 1505 CB ASP B 51 19.615 -2.374 34.805 1.00 12.17 C ATOM 1506 CG ASP B 51 18.936 -1.460 35.811 1.00 14.90 C ATOM 1507 OD1 ASP B 51 19.612 -0.850 36.660 1.00 16.45 O ATOM 1508 OD2 ASP B 51 17.701 -1.362 35.747 1.00 18.32 O ATOM 0 H ASP B 51 20.276 -0.558 33.219 1.00 12.15 H new ATOM 0 HA ASP B 51 21.480 -1.607 35.253 1.00 11.96 H new ATOM 0 HB2 ASP B 51 19.083 -2.404 33.994 1.00 12.17 H new ATOM 0 HB3 ASP B 51 19.640 -3.276 35.162 1.00 12.17 H new ATOM 1509 N LEU B 52 21.549 -3.448 32.608 1.00 11.87 N ATOM 1510 CA LEU B 52 22.169 -4.624 32.013 1.00 12.62 C ATOM 1511 C LEU B 52 23.683 -4.450 31.960 1.00 13.32 C ATOM 1512 O LEU B 52 24.448 -5.394 32.324 1.00 14.05 O ATOM 1513 CB LEU B 52 21.590 -4.820 30.605 1.00 13.35 C ATOM 1514 CG LEU B 52 21.799 -6.136 29.897 1.00 18.39 C ATOM 1515 CD1 LEU B 52 21.401 -7.293 30.777 1.00 19.86 C ATOM 1516 CD2 LEU B 52 20.954 -6.109 28.610 1.00 20.54 C ATOM 0 H LEU B 52 21.050 -2.989 32.079 1.00 11.87 H new ATOM 0 HA LEU B 52 21.981 -5.409 32.551 1.00 12.62 H new ATOM 0 HB2 LEU B 52 20.634 -4.667 30.659 1.00 13.35 H new ATOM 0 HB3 LEU B 52 21.957 -4.123 30.039 1.00 13.35 H new ATOM 0 HG LEU B 52 22.737 -6.256 29.683 1.00 18.39 H new ATOM 0 HD11 LEU B 52 21.544 -8.126 30.301 1.00 19.86 H new ATOM 0 HD12 LEU B 52 21.939 -7.286 31.584 1.00 19.86 H new ATOM 0 HD13 LEU B 52 20.464 -7.213 31.013 1.00 19.86 H new ATOM 0 HD21 LEU B 52 21.067 -6.945 28.131 1.00 20.54 H new ATOM 0 HD22 LEU B 52 20.019 -5.993 28.839 1.00 20.54 H new ATOM 0 HD23 LEU B 52 21.243 -5.373 28.048 1.00 20.54 H new ATOM 1517 N CYS B 53 24.153 -3.284 31.521 1.00 13.53 N ATOM 1518 CA CYS B 53 25.606 -3.067 31.476 1.00 13.50 C ATOM 1519 C CYS B 53 26.196 -3.185 32.882 1.00 14.10 C ATOM 1520 O CYS B 53 27.241 -3.832 33.057 1.00 14.26 O ATOM 1521 CB CYS B 53 25.990 -1.743 30.845 1.00 14.21 C ATOM 1522 SG CYS B 53 25.533 -1.627 29.064 1.00 16.97 S ATOM 0 H CYS B 53 23.671 -2.624 31.253 1.00 13.53 H new ATOM 0 HA CYS B 53 25.979 -3.758 30.907 1.00 13.50 H new ATOM 0 HB2 CYS B 53 25.559 -1.023 31.331 1.00 14.21 H new ATOM 0 HB3 CYS B 53 26.947 -1.614 30.936 1.00 14.21 H new ATOM 1523 N LYS B 54 25.528 -2.590 33.862 1.00 13.15 N ATOM 1524 CA LYS B 54 26.004 -2.697 35.269 1.00 13.49 C ATOM 1525 C LYS B 54 26.135 -4.152 35.716 1.00 13.30 C ATOM 1526 O LYS B 54 27.122 -4.520 36.409 1.00 14.06 O ATOM 1527 CB LYS B 54 25.092 -1.932 36.219 1.00 13.10 C ATOM 1528 CG LYS B 54 25.643 -1.928 37.660 1.00 16.00 C ATOM 1529 CD LYS B 54 24.878 -0.957 38.496 1.00 19.82 C ATOM 1530 CE LYS B 54 25.385 -1.005 39.917 1.00 22.12 C ATOM 1531 NZ LYS B 54 24.510 -0.163 40.776 1.00 24.51 N ATOM 0 H LYS B 54 24.812 -2.126 33.754 1.00 13.15 H new ATOM 0 HA LYS B 54 26.887 -2.296 35.299 1.00 13.49 H new ATOM 0 HB2 LYS B 54 24.993 -1.019 35.908 1.00 13.10 H new ATOM 0 HB3 LYS B 54 24.208 -2.332 36.211 1.00 13.10 H new ATOM 0 HG2 LYS B 54 25.577 -2.817 38.042 1.00 16.00 H new ATOM 0 HG3 LYS B 54 26.583 -1.691 37.654 1.00 16.00 H new ATOM 0 HD2 LYS B 54 24.975 -0.061 38.138 1.00 19.82 H new ATOM 0 HD3 LYS B 54 23.932 -1.171 38.473 1.00 19.82 H new ATOM 0 HE2 LYS B 54 25.390 -1.920 40.240 1.00 22.12 H new ATOM 0 HE3 LYS B 54 26.300 -0.685 39.957 1.00 22.12 H new ATOM 0 HZ1 LYS B 54 24.813 -0.176 41.613 1.00 24.51 H new ATOM 0 HZ2 LYS B 54 24.513 0.674 40.473 1.00 24.51 H new ATOM 0 HZ3 LYS B 54 23.679 -0.482 40.757 1.00 24.51 H new ATOM 1532 N ALA B 55 25.162 -4.983 35.340 1.00 13.60 N ATOM 1533 CA ALA B 55 25.179 -6.412 35.714 1.00 13.54 C ATOM 1534 C ALA B 55 26.323 -7.187 35.038 1.00 14.85 C ATOM 1535 O ALA B 55 26.701 -8.258 35.511 1.00 15.41 O ATOM 1536 CB ALA B 55 23.809 -7.057 35.408 1.00 14.36 C ATOM 0 H ALA B 55 24.482 -4.746 34.869 1.00 13.60 H new ATOM 0 HA ALA B 55 25.345 -6.461 36.668 1.00 13.54 H new ATOM 0 HB1 ALA B 55 23.830 -7.994 35.657 1.00 14.36 H new ATOM 0 HB2 ALA B 55 23.117 -6.604 35.915 1.00 14.36 H new ATOM 0 HB3 ALA B 55 23.619 -6.978 34.460 1.00 14.36 H new ATOM 1537 N PHE B 56 26.840 -6.639 33.930 1.00 15.52 N ATOM 1538 CA PHE B 56 28.045 -7.140 33.264 1.00 15.73 C ATOM 1539 C PHE B 56 29.312 -6.416 33.732 1.00 16.09 C ATOM 1540 O PHE B 56 30.342 -6.485 33.044 1.00 15.93 O ATOM 1541 CB PHE B 56 27.932 -6.959 31.740 1.00 16.14 C ATOM 1542 CG PHE B 56 27.105 -8.021 31.032 1.00 16.01 C ATOM 1543 CD1 PHE B 56 27.536 -9.340 30.924 1.00 17.08 C ATOM 1544 CD2 PHE B 56 25.901 -7.672 30.399 1.00 16.10 C ATOM 1545 CE1 PHE B 56 26.784 -10.299 30.250 1.00 19.48 C ATOM 1546 CE2 PHE B 56 25.144 -8.624 29.705 1.00 18.43 C ATOM 1547 CZ PHE B 56 25.588 -9.936 29.616 1.00 17.12 C ATOM 0 H PHE B 56 26.493 -5.955 33.541 1.00 15.52 H new ATOM 0 HA PHE B 56 28.115 -8.079 33.496 1.00 15.73 H new ATOM 0 HB2 PHE B 56 27.543 -6.089 31.558 1.00 16.14 H new ATOM 0 HB3 PHE B 56 28.825 -6.955 31.360 1.00 16.14 H new ATOM 0 HD1 PHE B 56 28.345 -9.587 31.311 1.00 17.08 H new ATOM 0 HD2 PHE B 56 25.601 -6.793 30.441 1.00 16.10 H new ATOM 0 HE1 PHE B 56 27.076 -11.182 30.221 1.00 19.48 H new ATOM 0 HE2 PHE B 56 24.343 -8.377 29.303 1.00 18.43 H new ATOM 0 HZ PHE B 56 25.097 -10.567 29.141 1.00 17.12 H new ATOM 1548 N ASN B 57 29.252 -5.696 34.856 1.00 17.12 N ATOM 1549 CA ASN B 57 30.382 -4.878 35.333 1.00 18.00 C ATOM 1550 C ASN B 57 30.905 -3.924 34.257 1.00 18.25 C ATOM 1551 O ASN B 57 32.110 -3.719 34.101 1.00 18.86 O ATOM 1552 CB ASN B 57 31.529 -5.779 35.830 1.00 19.63 C ATOM 1553 CG ASN B 57 31.223 -6.429 37.172 1.00 22.00 C ATOM 1554 OD1 ASN B 57 30.635 -5.669 38.092 1.00 27.94 O flip ATOM 1555 ND2 ASN B 57 31.520 -7.616 37.370 1.00 21.64 N flip ATOM 0 H ASN B 57 28.559 -5.666 35.364 1.00 17.12 H new ATOM 0 HA ASN B 57 30.048 -4.340 36.068 1.00 18.00 H new ATOM 0 HB2 ASN B 57 31.701 -6.470 35.172 1.00 19.63 H new ATOM 0 HB3 ASN B 57 32.340 -5.252 35.907 1.00 19.63 H new ATOM 0 HD21 ASN B 57 31.900 -8.074 36.749 1.00 21.64 H new ATOM 0 HD22 ASN B 57 31.346 -7.982 38.129 1.00 21.64 H new ATOM 1556 N SER B 58 29.963 -3.328 33.520 1.00 16.94 N ATOM 1557 CA SER B 58 30.249 -2.517 32.349 1.00 16.00 C ATOM 1558 C SER B 58 29.428 -1.231 32.415 1.00 14.48 C ATOM 1559 O SER B 58 28.605 -1.054 33.319 1.00 15.94 O ATOM 1560 CB SER B 58 29.910 -3.318 31.084 1.00 15.84 C ATOM 1561 OG SER B 58 30.736 -4.481 30.969 1.00 16.77 O ATOM 0 H SER B 58 29.124 -3.390 33.697 1.00 16.94 H new ATOM 0 HA SER B 58 31.190 -2.283 32.324 1.00 16.00 H new ATOM 0 HB2 SER B 58 28.977 -3.582 31.106 1.00 15.84 H new ATOM 0 HB3 SER B 58 30.027 -2.757 30.302 1.00 15.84 H new ATOM 0 HG SER B 58 30.557 -5.015 31.592 1.00 16.77 H new ATOM 1562 N THR B 59 29.656 -0.332 31.461 1.00 15.74 N ATOM 1563 CA THR B 59 28.946 0.947 31.408 1.00 16.17 C ATOM 1564 C THR B 59 28.442 1.157 30.004 1.00 15.64 C ATOM 1565 O THR B 59 28.920 0.494 29.092 1.00 15.73 O ATOM 1566 CB THR B 59 29.885 2.114 31.756 1.00 16.66 C ATOM 1567 OG1 THR B 59 31.120 1.956 31.035 1.00 19.57 O ATOM 1568 CG2 THR B 59 30.175 2.080 33.246 1.00 18.08 C ATOM 0 H THR B 59 30.225 -0.445 30.826 1.00 15.74 H new ATOM 0 HA THR B 59 28.218 0.924 32.048 1.00 16.17 H new ATOM 0 HB THR B 59 29.470 2.957 31.516 1.00 16.66 H new ATOM 0 HG1 THR B 59 30.971 1.565 30.307 1.00 19.57 H new ATOM 0 HG21 THR B 59 30.767 2.813 33.477 1.00 18.08 H new ATOM 0 HG22 THR B 59 29.345 2.168 33.740 1.00 18.08 H new ATOM 0 HG23 THR B 59 30.599 1.238 33.474 1.00 18.08 H new ATOM 1569 N LEU B 60 27.479 2.058 29.827 1.00 15.63 N ATOM 1570 CA LEU B 60 27.105 2.417 28.462 1.00 15.32 C ATOM 1571 C LEU B 60 28.319 3.077 27.777 1.00 15.91 C ATOM 1572 O LEU B 60 28.935 3.983 28.372 1.00 16.73 O ATOM 1573 CB LEU B 60 25.921 3.374 28.480 1.00 15.04 C ATOM 1574 CG LEU B 60 24.567 2.746 28.838 1.00 15.12 C ATOM 1575 CD1 LEU B 60 23.507 3.836 29.015 1.00 18.18 C ATOM 1576 CD2 LEU B 60 24.142 1.787 27.758 1.00 17.78 C ATOM 0 H LEU B 60 27.046 2.458 30.453 1.00 15.63 H new ATOM 0 HA LEU B 60 26.845 1.623 27.970 1.00 15.32 H new ATOM 0 HB2 LEU B 60 26.108 4.083 29.115 1.00 15.04 H new ATOM 0 HB3 LEU B 60 25.847 3.788 27.606 1.00 15.04 H new ATOM 0 HG LEU B 60 24.660 2.262 29.673 1.00 15.12 H new ATOM 0 HD11 LEU B 60 22.657 3.427 29.241 1.00 18.18 H new ATOM 0 HD12 LEU B 60 23.776 4.436 29.728 1.00 18.18 H new ATOM 0 HD13 LEU B 60 23.416 4.336 28.189 1.00 18.18 H new ATOM 0 HD21 LEU B 60 23.286 1.395 27.992 1.00 17.78 H new ATOM 0 HD22 LEU B 60 24.060 2.263 26.917 1.00 17.78 H new ATOM 0 HD23 LEU B 60 24.805 1.085 27.669 1.00 17.78 H new ATOM 1577 N PRO B 61 28.664 2.655 26.537 1.00 15.50 N ATOM 1578 CA PRO B 61 29.864 3.219 25.919 1.00 15.64 C ATOM 1579 C PRO B 61 29.750 4.703 25.604 1.00 16.38 C ATOM 1580 O PRO B 61 28.665 5.219 25.351 1.00 16.46 O ATOM 1581 CB PRO B 61 30.002 2.427 24.609 1.00 15.24 C ATOM 1582 CG PRO B 61 29.217 1.124 24.876 1.00 14.57 C ATOM 1583 CD PRO B 61 28.077 1.574 25.715 1.00 15.28 C ATOM 0 HA PRO B 61 30.623 3.149 26.519 1.00 15.64 H new ATOM 0 HB2 PRO B 61 29.633 2.916 23.857 1.00 15.24 H new ATOM 0 HB3 PRO B 61 30.932 2.245 24.400 1.00 15.24 H new ATOM 0 HG2 PRO B 61 28.914 0.714 24.051 1.00 14.57 H new ATOM 0 HG3 PRO B 61 29.762 0.466 25.336 1.00 14.57 H new ATOM 0 HD2 PRO B 61 27.340 1.896 25.174 1.00 15.28 H new ATOM 0 HD3 PRO B 61 27.731 0.854 26.265 1.00 15.28 H new ATOM 1584 N THR B 62 30.879 5.402 25.645 1.00 16.97 N ATOM 1585 CA THR B 62 30.947 6.732 25.064 1.00 17.69 C ATOM 1586 C THR B 62 31.058 6.637 23.543 1.00 17.27 C ATOM 1587 O THR B 62 31.374 5.576 22.982 1.00 17.57 O ATOM 1588 CB THR B 62 32.180 7.488 25.581 1.00 17.75 C ATOM 1589 OG1 THR B 62 33.360 6.773 25.196 1.00 20.41 O ATOM 1590 CG2 THR B 62 32.094 7.603 27.079 1.00 19.64 C ATOM 0 H THR B 62 31.611 5.125 26.002 1.00 16.97 H new ATOM 0 HA THR B 62 30.139 7.205 25.317 1.00 17.69 H new ATOM 0 HB THR B 62 32.215 8.380 25.201 1.00 17.75 H new ATOM 0 HG1 THR B 62 34.026 7.097 25.593 1.00 20.41 H new ATOM 0 HG21 THR B 62 32.870 8.080 27.412 1.00 19.64 H new ATOM 0 HG22 THR B 62 31.289 8.087 27.321 1.00 19.64 H new ATOM 0 HG23 THR B 62 32.067 6.716 27.471 1.00 19.64 H new ATOM 1591 N MET B 63 30.811 7.745 22.866 1.00 18.79 N ATOM 1592 CA MET B 63 31.044 7.782 21.436 1.00 19.85 C ATOM 1593 C MET B 63 32.482 7.415 21.087 1.00 19.43 C ATOM 1594 O MET B 63 32.723 6.651 20.153 1.00 18.54 O ATOM 1595 CB MET B 63 30.702 9.151 20.865 1.00 20.85 C ATOM 1596 CG MET B 63 30.808 9.203 19.350 1.00 24.12 C ATOM 1597 SD MET B 63 29.740 8.001 18.503 1.00 31.31 S ATOM 1598 CE MET B 63 28.149 8.463 19.082 1.00 25.10 C ATOM 0 H MET B 63 30.513 8.475 23.209 1.00 18.79 H new ATOM 0 HA MET B 63 30.460 7.119 21.035 1.00 19.85 H new ATOM 0 HB2 MET B 63 29.800 9.391 21.130 1.00 20.85 H new ATOM 0 HB3 MET B 63 31.296 9.814 21.249 1.00 20.85 H new ATOM 0 HG2 MET B 63 30.580 10.096 19.048 1.00 24.12 H new ATOM 0 HG3 MET B 63 31.729 9.043 19.092 1.00 24.12 H new ATOM 0 HE1 MET B 63 27.487 7.841 18.741 1.00 25.10 H new ATOM 0 HE2 MET B 63 28.139 8.445 20.052 1.00 25.10 H new ATOM 0 HE3 MET B 63 27.940 9.359 18.774 1.00 25.10 H new ATOM 1599 N ALA B 64 33.440 7.943 21.850 1.00 20.42 N ATOM 1600 CA ALA B 64 34.843 7.615 21.608 1.00 20.79 C ATOM 1601 C ALA B 64 35.107 6.126 21.734 1.00 19.92 C ATOM 1602 O ALA B 64 35.822 5.546 20.902 1.00 20.39 O ATOM 1603 CB ALA B 64 35.774 8.429 22.519 1.00 20.85 C ATOM 0 H ALA B 64 33.301 8.485 22.503 1.00 20.42 H new ATOM 0 HA ALA B 64 35.039 7.862 20.691 1.00 20.79 H new ATOM 0 HB1 ALA B 64 36.696 8.190 22.336 1.00 20.85 H new ATOM 0 HB2 ALA B 64 35.646 9.376 22.350 1.00 20.85 H new ATOM 0 HB3 ALA B 64 35.569 8.236 23.447 1.00 20.85 H new ATOM 1604 N GLN B 65 34.500 5.486 22.740 1.00 18.60 N ATOM 1605 CA GLN B 65 34.642 4.035 22.884 1.00 18.48 C ATOM 1606 C GLN B 65 34.080 3.250 21.694 1.00 18.17 C ATOM 1607 O GLN B 65 34.681 2.267 21.245 1.00 18.91 O ATOM 1608 CB GLN B 65 34.041 3.563 24.209 1.00 18.18 C ATOM 1609 CG GLN B 65 34.954 3.904 25.400 1.00 19.73 C ATOM 1610 CD GLN B 65 34.245 3.939 26.755 1.00 22.58 C ATOM 1611 OE1 GLN B 65 33.020 3.921 26.850 1.00 20.04 O ATOM 1612 NE2 GLN B 65 35.038 4.003 27.824 1.00 22.40 N ATOM 0 H GLN B 65 34.012 5.866 23.337 1.00 18.60 H new ATOM 0 HA GLN B 65 35.593 3.847 22.894 1.00 18.48 H new ATOM 0 HB2 GLN B 65 33.173 3.977 24.337 1.00 18.18 H new ATOM 0 HB3 GLN B 65 33.896 2.604 24.176 1.00 18.18 H new ATOM 0 HG2 GLN B 65 35.671 3.252 25.440 1.00 19.73 H new ATOM 0 HG3 GLN B 65 35.365 4.768 25.241 1.00 19.73 H new ATOM 0 HE21 GLN B 65 35.892 4.014 27.726 1.00 22.40 H new ATOM 0 HE22 GLN B 65 34.695 4.033 28.612 1.00 22.40 H new ATOM 1613 N AMET B 66 32.931 3.695 21.177 0.50 18.59 N ATOM 1614 N BMET B 66 32.934 3.696 21.179 0.50 18.39 N ATOM 1615 CA AMET B 66 32.320 3.066 20.009 0.50 18.04 C ATOM 1616 CA BMET B 66 32.305 3.034 20.047 0.50 17.67 C ATOM 1617 C AMET B 66 33.181 3.251 18.771 0.50 18.32 C ATOM 1618 C BMET B 66 33.121 3.217 18.764 0.50 17.96 C ATOM 1619 O AMET B 66 33.364 2.328 17.998 0.50 18.06 O ATOM 1620 O BMET B 66 33.266 2.288 17.988 0.50 17.73 O ATOM 1621 CB AMET B 66 30.936 3.653 19.735 0.50 18.12 C ATOM 1622 CB BMET B 66 30.865 3.529 19.868 0.50 17.54 C ATOM 1623 CG AMET B 66 29.910 3.368 20.797 0.50 16.80 C ATOM 1624 CG BMET B 66 30.126 2.906 18.698 0.50 16.15 C ATOM 1625 SD AMET B 66 29.544 1.622 20.943 0.50 17.40 S ATOM 1626 SD BMET B 66 29.977 1.134 18.871 0.50 14.62 S ATOM 1627 CE AMET B 66 28.979 1.242 19.298 0.50 18.16 C ATOM 1628 CE BMET B 66 28.671 1.009 20.073 0.50 12.71 C ATOM 0 H AMET B 66 32.490 4.363 21.492 0.50 18.39 H new ATOM 0 H BMET B 66 32.507 4.382 21.474 0.50 18.39 H new ATOM 0 HA AMET B 66 32.240 2.120 20.206 0.50 17.67 H new ATOM 0 HA BMET B 66 32.277 2.083 20.234 0.50 17.67 H new ATOM 0 HB2AMET B 66 31.020 4.614 19.634 0.50 17.54 H new ATOM 0 HB2BMET B 66 30.369 3.348 20.682 0.50 17.54 H new ATOM 0 HB3AMET B 66 30.613 3.306 18.889 0.50 17.54 H new ATOM 0 HB3BMET B 66 30.878 4.492 19.752 0.50 17.54 H new ATOM 0 HG2AMET B 66 30.230 3.701 21.650 0.50 16.15 H new ATOM 0 HG2BMET B 66 29.242 3.299 18.628 0.50 16.15 H new ATOM 0 HG3AMET B 66 29.094 3.851 20.592 0.50 16.15 H new ATOM 0 HG3BMET B 66 30.594 3.112 17.874 0.50 16.15 H new ATOM 0 HE1AMET B 66 28.446 0.432 19.318 0.50 12.71 H new ATOM 0 HE1BMET B 66 28.943 0.411 20.786 0.50 12.71 H new ATOM 0 HE2AMET B 66 28.440 1.976 18.963 0.50 12.71 H new ATOM 0 HE2BMET B 66 28.485 1.887 20.441 0.50 12.71 H new ATOM 0 HE3AMET B 66 29.743 1.111 18.715 0.50 12.71 H new ATOM 0 HE3BMET B 66 27.872 0.661 19.648 0.50 12.71 H new ATOM 1629 N AGLU B 67 33.712 4.457 18.610 0.50 19.03 N ATOM 1630 N BGLU B 67 33.679 4.409 18.576 0.50 18.75 N ATOM 1631 CA AGLU B 67 34.599 4.764 17.488 0.50 19.98 C ATOM 1632 CA BGLU B 67 34.571 4.661 17.438 0.50 19.74 C ATOM 1633 C AGLU B 67 35.838 3.850 17.486 0.50 20.21 C ATOM 1634 C BGLU B 67 35.793 3.736 17.487 0.50 20.03 C ATOM 1635 O AGLU B 67 36.260 3.356 16.433 0.50 20.04 O ATOM 1636 O BGLU B 67 36.187 3.148 16.470 0.50 19.65 O ATOM 1637 CB AGLU B 67 34.953 6.259 17.480 0.50 20.03 C ATOM 1638 CB BGLU B 67 35.002 6.133 17.389 0.50 19.77 C ATOM 1639 CG AGLU B 67 33.797 7.141 16.962 0.50 21.35 C ATOM 1640 CG BGLU B 67 33.888 7.121 17.027 0.50 20.96 C ATOM 1641 CD AGLU B 67 33.907 8.608 17.361 0.50 22.84 C ATOM 1642 CD BGLU B 67 33.524 7.124 15.547 0.50 21.70 C ATOM 1643 OE1AGLU B 67 34.750 8.941 18.221 0.50 24.37 O ATOM 1644 OE1BGLU B 67 34.184 6.431 14.741 0.50 23.82 O ATOM 1645 OE2AGLU B 67 33.141 9.438 16.809 0.50 23.63 O ATOM 1646 OE2BGLU B 67 32.560 7.831 15.185 0.50 22.44 O ATOM 0 H AGLU B 67 33.571 5.118 19.142 0.50 18.75 H new ATOM 0 H BGLU B 67 33.557 5.086 19.092 0.50 18.75 H new ATOM 0 HA AGLU B 67 34.131 4.579 16.659 0.50 19.74 H new ATOM 0 HA BGLU B 67 34.078 4.468 16.625 0.50 19.74 H new ATOM 0 HB2AGLU B 67 35.189 6.537 18.379 0.50 19.77 H new ATOM 0 HB2BGLU B 67 35.366 6.379 18.254 0.50 19.77 H new ATOM 0 HB3AGLU B 67 35.736 6.399 16.925 0.50 19.77 H new ATOM 0 HB3BGLU B 67 35.720 6.225 16.743 0.50 19.77 H new ATOM 0 HG2AGLU B 67 33.765 7.080 15.994 0.50 20.96 H new ATOM 0 HG2BGLU B 67 33.097 6.907 17.545 0.50 20.96 H new ATOM 0 HG3AGLU B 67 32.958 6.787 17.296 0.50 20.96 H new ATOM 0 HG3BGLU B 67 34.163 8.014 17.285 0.50 20.96 H new ATOM 1647 N LYS B 68 36.389 3.594 18.671 1.00 20.44 N ATOM 1648 CA LYS B 68 37.529 2.689 18.815 1.00 20.78 C ATOM 1649 C LYS B 68 37.168 1.244 18.446 1.00 20.32 C ATOM 1650 O LYS B 68 37.908 0.580 17.729 1.00 19.99 O ATOM 1651 CB LYS B 68 38.157 2.784 20.210 1.00 21.34 C ATOM 1652 CG LYS B 68 39.422 1.943 20.374 1.00 24.34 C ATOM 1653 CD LYS B 68 40.525 2.402 19.421 1.00 27.89 C ATOM 1654 CE LYS B 68 41.826 1.701 19.733 1.00 32.38 C ATOM 1655 NZ LYS B 68 42.948 2.320 18.975 1.00 35.53 N ATOM 0 H ALYS B 68 36.115 3.938 19.410 0.50 20.44 H new ATOM 0 H BLYS B 68 36.155 4.004 19.390 0.50 20.44 H new ATOM 0 HA LYS B 68 38.202 2.979 18.180 1.00 20.78 H new ATOM 0 HB2 LYS B 68 38.369 3.712 20.398 1.00 21.34 H new ATOM 0 HB3 LYS B 68 37.504 2.503 20.870 1.00 21.34 H new ATOM 0 HG2 LYS B 68 39.737 2.005 21.289 1.00 24.34 H new ATOM 0 HG3 LYS B 68 39.216 1.010 20.207 1.00 24.34 H new ATOM 0 HD2 LYS B 68 40.265 2.218 18.505 1.00 27.89 H new ATOM 0 HD3 LYS B 68 40.644 3.362 19.495 1.00 27.89 H new ATOM 0 HE2 LYS B 68 42.006 1.750 20.685 1.00 32.38 H new ATOM 0 HE3 LYS B 68 41.755 0.761 19.506 1.00 32.38 H new ATOM 0 HZ1 LYS B 68 43.707 1.897 19.169 1.00 35.53 H new ATOM 0 HZ2 LYS B 68 42.788 2.256 18.102 1.00 35.53 H new ATOM 0 HZ3 LYS B 68 43.021 3.178 19.200 1.00 35.53 H new ATOM 1656 N ALA B 69 36.013 0.759 18.923 1.00 19.27 N ATOM 1657 CA ALA B 69 35.555 -0.579 18.580 1.00 19.25 C ATOM 1658 C ALA B 69 35.391 -0.702 17.073 1.00 19.27 C ATOM 1659 O ALA B 69 35.829 -1.677 16.479 1.00 19.32 O ATOM 1660 CB ALA B 69 34.228 -0.904 19.298 1.00 19.77 C ATOM 0 H ALA B 69 35.486 1.194 19.445 1.00 19.27 H new ATOM 0 HA ALA B 69 36.221 -1.219 18.876 1.00 19.25 H new ATOM 0 HB1 ALA B 69 33.940 -1.798 19.057 1.00 19.77 H new ATOM 0 HB2 ALA B 69 34.359 -0.855 20.258 1.00 19.77 H new ATOM 0 HB3 ALA B 69 33.550 -0.264 19.031 1.00 19.77 H new ATOM 1661 N LEU B 70 34.745 0.293 16.469 1.00 20.28 N ATOM 1662 CA LEU B 70 34.536 0.298 15.026 1.00 20.46 C ATOM 1663 C LEU B 70 35.878 0.169 14.289 1.00 20.45 C ATOM 1664 O LEU B 70 36.000 -0.614 13.343 1.00 20.66 O ATOM 1665 CB LEU B 70 33.757 1.555 14.603 1.00 20.54 C ATOM 1666 CG LEU B 70 33.576 1.748 13.092 1.00 22.74 C ATOM 1667 CD1 LEU B 70 32.533 0.812 12.550 1.00 24.17 C ATOM 1668 CD2 LEU B 70 33.212 3.206 12.761 1.00 24.79 C ATOM 0 H LEU B 70 34.420 0.975 16.879 1.00 20.28 H new ATOM 0 HA LEU B 70 33.999 -0.471 14.779 1.00 20.46 H new ATOM 0 HB2 LEU B 70 32.880 1.526 15.016 1.00 20.54 H new ATOM 0 HB3 LEU B 70 34.213 2.333 14.960 1.00 20.54 H new ATOM 0 HG LEU B 70 34.422 1.541 12.666 1.00 22.74 H new ATOM 0 HD11 LEU B 70 32.437 0.953 11.595 1.00 24.17 H new ATOM 0 HD12 LEU B 70 32.803 -0.105 12.716 1.00 24.17 H new ATOM 0 HD13 LEU B 70 31.685 0.983 12.989 1.00 24.17 H new ATOM 0 HD21 LEU B 70 33.103 3.303 11.802 1.00 24.79 H new ATOM 0 HD22 LEU B 70 32.383 3.442 13.206 1.00 24.79 H new ATOM 0 HD23 LEU B 70 33.920 3.794 13.066 1.00 24.79 H new ATOM 1669 N SER B 71 36.872 0.910 14.766 1.00 21.69 N ATOM 1670 CA SER B 71 38.172 0.977 14.086 1.00 22.22 C ATOM 1671 C SER B 71 38.879 -0.382 14.045 1.00 22.57 C ATOM 1672 O SER B 71 39.746 -0.601 13.189 1.00 23.13 O ATOM 1673 CB SER B 71 39.073 2.040 14.714 1.00 22.52 C ATOM 1674 OG SER B 71 39.709 1.535 15.872 1.00 23.86 O ATOM 0 H SER B 71 36.819 1.383 15.482 1.00 21.69 H new ATOM 0 HA SER B 71 37.992 1.234 13.168 1.00 22.22 H new ATOM 0 HB2 SER B 71 39.741 2.326 14.071 1.00 22.52 H new ATOM 0 HB3 SER B 71 38.547 2.822 14.943 1.00 22.52 H new ATOM 0 HG SER B 71 39.129 1.256 16.412 1.00 23.86 H new ATOM 1675 N ILE B 72 38.534 -1.292 14.960 1.00 22.37 N ATOM 1676 CA ILE B 72 39.086 -2.653 14.906 1.00 21.92 C ATOM 1677 C ILE B 72 38.136 -3.771 14.421 1.00 22.05 C ATOM 1678 O ILE B 72 38.402 -4.964 14.603 1.00 22.90 O ATOM 1679 CB ILE B 72 39.814 -3.041 16.224 1.00 22.48 C ATOM 1680 CG1 ILE B 72 38.829 -3.078 17.393 1.00 22.45 C ATOM 1681 CG2 ILE B 72 40.948 -2.072 16.502 1.00 23.72 C ATOM 1682 CD1 ILE B 72 39.349 -3.913 18.586 1.00 24.11 C ATOM 0 H ILE B 72 37.991 -1.147 15.611 1.00 22.37 H new ATOM 0 HA ILE B 72 39.740 -2.594 14.192 1.00 21.92 H new ATOM 0 HB ILE B 72 40.189 -3.929 16.121 1.00 22.48 H new ATOM 0 HG12 ILE B 72 38.652 -2.172 17.690 1.00 22.45 H new ATOM 0 HG13 ILE B 72 37.985 -3.447 17.088 1.00 22.45 H new ATOM 0 HG21 ILE B 72 41.394 -2.324 17.326 1.00 23.72 H new ATOM 0 HG22 ILE B 72 41.583 -2.098 15.769 1.00 23.72 H new ATOM 0 HG23 ILE B 72 40.592 -1.174 16.589 1.00 23.72 H new ATOM 0 HD11 ILE B 72 38.691 -3.905 19.298 1.00 24.11 H new ATOM 0 HD12 ILE B 72 39.503 -4.827 18.299 1.00 24.11 H new ATOM 0 HD13 ILE B 72 40.180 -3.532 18.910 1.00 24.11 H new ATOM 1683 N GLY B 73 37.027 -3.384 13.799 1.00 21.11 N ATOM 1684 CA GLY B 73 36.174 -4.359 13.153 1.00 21.22 C ATOM 1685 C GLY B 73 34.791 -4.590 13.741 1.00 20.11 C ATOM 1686 O GLY B 73 34.083 -5.479 13.286 1.00 21.58 O ATOM 0 H GLY B 73 36.757 -2.569 13.742 1.00 21.11 H new ATOM 0 HA2 GLY B 73 36.064 -4.092 12.227 1.00 21.22 H new ATOM 0 HA3 GLY B 73 36.642 -5.209 13.149 1.00 21.22 H new ATOM 1687 N PHE B 74 34.404 -3.789 14.734 1.00 19.14 N ATOM 1688 CA PHE B 74 33.065 -3.950 15.337 1.00 17.48 C ATOM 1689 C PHE B 74 31.976 -3.362 14.438 1.00 16.79 C ATOM 1690 O PHE B 74 32.013 -2.166 14.065 1.00 17.03 O ATOM 1691 CB PHE B 74 32.990 -3.285 16.708 1.00 16.49 C ATOM 1692 CG PHE B 74 31.739 -3.632 17.514 1.00 15.33 C ATOM 1693 CD1 PHE B 74 31.322 -4.949 17.683 1.00 16.74 C ATOM 1694 CD2 PHE B 74 31.038 -2.621 18.159 1.00 15.44 C ATOM 1695 CE1 PHE B 74 30.189 -5.245 18.460 1.00 15.75 C ATOM 1696 CE2 PHE B 74 29.923 -2.902 18.924 1.00 15.18 C ATOM 1697 CZ PHE B 74 29.500 -4.202 19.073 1.00 15.05 C ATOM 0 H PHE B 74 34.883 -3.159 15.071 1.00 19.14 H new ATOM 0 HA PHE B 74 32.916 -4.903 15.437 1.00 17.48 H new ATOM 0 HB2 PHE B 74 33.773 -3.540 17.221 1.00 16.49 H new ATOM 0 HB3 PHE B 74 33.029 -2.323 16.591 1.00 16.49 H new ATOM 0 HD1 PHE B 74 31.797 -5.639 17.278 1.00 16.74 H new ATOM 0 HD2 PHE B 74 31.324 -1.740 18.074 1.00 15.44 H new ATOM 0 HE1 PHE B 74 29.904 -6.124 18.563 1.00 15.75 H new ATOM 0 HE2 PHE B 74 29.458 -2.212 19.339 1.00 15.18 H new ATOM 0 HZ PHE B 74 28.747 -4.386 19.588 1.00 15.05 H new ATOM 1698 N GLU B 75 31.013 -4.212 14.114 1.00 16.91 N ATOM 1699 CA GLU B 75 29.870 -3.822 13.298 1.00 16.98 C ATOM 1700 C GLU B 75 28.658 -4.669 13.707 1.00 15.63 C ATOM 1701 O GLU B 75 28.780 -5.852 14.029 1.00 16.08 O ATOM 1702 CB GLU B 75 30.238 -4.019 11.822 1.00 18.58 C ATOM 1703 CG GLU B 75 29.142 -4.272 10.880 1.00 21.72 C ATOM 1704 CD GLU B 75 29.682 -4.372 9.468 1.00 21.60 C ATOM 1705 OE1 GLU B 75 29.699 -3.328 8.803 1.00 20.81 O ATOM 1706 OE2 GLU B 75 30.104 -5.472 9.045 1.00 24.11 O ATOM 0 H GLU B 75 31.002 -5.036 14.362 1.00 16.91 H new ATOM 0 HA GLU B 75 29.640 -2.889 13.432 1.00 16.98 H new ATOM 0 HB2 GLU B 75 30.713 -3.228 11.523 1.00 18.58 H new ATOM 0 HB3 GLU B 75 30.860 -4.761 11.765 1.00 18.58 H new ATOM 0 HG2 GLU B 75 28.685 -5.094 11.118 1.00 21.72 H new ATOM 0 HG3 GLU B 75 28.488 -3.558 10.934 1.00 21.72 H new ATOM 1707 N THR B 76 27.481 -4.042 13.729 1.00 14.25 N ATOM 1708 CA THR B 76 26.239 -4.784 13.885 1.00 13.33 C ATOM 1709 C THR B 76 25.241 -4.214 12.902 1.00 12.38 C ATOM 1710 O THR B 76 25.495 -3.194 12.255 1.00 13.07 O ATOM 1711 CB THR B 76 25.611 -4.638 15.297 1.00 12.06 C ATOM 1712 OG1 THR B 76 25.012 -3.336 15.400 1.00 13.54 O ATOM 1713 CG2 THR B 76 26.658 -4.851 16.427 1.00 14.66 C ATOM 0 H THR B 76 27.384 -3.191 13.655 1.00 14.25 H new ATOM 0 HA THR B 76 26.441 -5.722 13.739 1.00 13.33 H new ATOM 0 HB THR B 76 24.937 -5.326 15.411 1.00 12.06 H new ATOM 0 HG1 THR B 76 25.092 -3.052 16.186 1.00 13.54 H new ATOM 0 HG21 THR B 76 26.227 -4.752 17.290 1.00 14.66 H new ATOM 0 HG22 THR B 76 27.036 -5.742 16.355 1.00 14.66 H new ATOM 0 HG23 THR B 76 27.365 -4.193 16.341 1.00 14.66 H new ATOM 1714 N CYS B 77 24.077 -4.829 12.831 1.00 12.40 N ATOM 1715 CA CYS B 77 22.983 -4.238 12.103 1.00 13.35 C ATOM 1716 C CYS B 77 21.821 -3.920 13.064 1.00 11.69 C ATOM 1717 O CYS B 77 20.648 -3.926 12.664 1.00 13.05 O ATOM 1718 CB CYS B 77 22.541 -5.191 10.996 1.00 13.52 C ATOM 1719 SG CYS B 77 21.408 -4.473 9.761 1.00 18.49 S ATOM 0 H CYS B 77 23.902 -5.587 13.197 1.00 12.40 H new ATOM 0 HA CYS B 77 23.269 -3.405 11.697 1.00 13.35 H new ATOM 0 HB2 CYS B 77 23.330 -5.520 10.538 1.00 13.52 H new ATOM 0 HB3 CYS B 77 22.109 -5.958 11.403 1.00 13.52 H new ATOM 1720 N ARG B 78 22.161 -3.597 14.311 1.00 11.15 N ATOM 1721 CA ARG B 78 21.110 -3.393 15.317 1.00 10.02 C ATOM 1722 C ARG B 78 21.289 -2.087 16.070 1.00 9.50 C ATOM 1723 O ARG B 78 22.388 -1.767 16.523 1.00 11.28 O ATOM 1724 CB ARG B 78 21.122 -4.556 16.316 1.00 10.20 C ATOM 1725 CG ARG B 78 20.790 -5.907 15.702 1.00 9.75 C ATOM 1726 CD ARG B 78 19.293 -6.061 15.493 1.00 10.35 C ATOM 1727 NE ARG B 78 18.587 -6.191 16.795 1.00 10.50 N ATOM 1728 CZ ARG B 78 17.285 -6.455 16.907 1.00 10.70 C ATOM 1729 NH1 ARG B 78 16.551 -6.648 15.806 1.00 12.21 N ATOM 1730 NH2 ARG B 78 16.711 -6.545 18.102 1.00 12.62 N ATOM 0 H ARG B 78 22.967 -3.493 14.592 1.00 11.15 H new ATOM 0 HA ARG B 78 20.261 -3.356 14.850 1.00 10.02 H new ATOM 0 HB2 ARG B 78 21.998 -4.606 16.729 1.00 10.20 H new ATOM 0 HB3 ARG B 78 20.486 -4.368 17.024 1.00 10.20 H new ATOM 0 HG2 ARG B 78 21.249 -6.001 14.853 1.00 9.75 H new ATOM 0 HG3 ARG B 78 21.113 -6.616 16.279 1.00 9.75 H new ATOM 0 HD2 ARG B 78 18.949 -5.294 15.010 1.00 10.35 H new ATOM 0 HD3 ARG B 78 19.118 -6.843 14.946 1.00 10.35 H new ATOM 0 HE ARG B 78 19.044 -6.090 17.516 1.00 10.50 H new ATOM 0 HH11 ARG B 78 16.919 -6.602 15.030 1.00 12.21 H new ATOM 0 HH12 ARG B 78 15.711 -6.819 15.874 1.00 12.21 H new ATOM 0 HH21 ARG B 78 17.180 -6.433 18.814 1.00 12.62 H new ATOM 0 HH22 ARG B 78 15.870 -6.716 18.163 1.00 12.62 H new ATOM 1731 N TYR B 79 20.191 -1.347 16.249 1.00 9.58 N ATOM 1732 CA TYR B 79 20.221 -0.130 17.057 1.00 9.51 C ATOM 1733 C TYR B 79 20.430 -0.475 18.500 1.00 10.37 C ATOM 1734 O TYR B 79 19.816 -1.431 19.021 1.00 10.95 O ATOM 1735 CB TYR B 79 18.888 0.642 16.915 1.00 9.72 C ATOM 1736 CG TYR B 79 18.715 1.182 15.532 1.00 11.25 C ATOM 1737 CD1 TYR B 79 19.512 2.216 15.102 1.00 12.78 C ATOM 1738 CD2 TYR B 79 17.766 0.632 14.656 1.00 14.30 C ATOM 1739 CE1 TYR B 79 19.390 2.727 13.811 1.00 16.94 C ATOM 1740 CE2 TYR B 79 17.646 1.139 13.348 1.00 16.71 C ATOM 1741 CZ TYR B 79 18.467 2.176 12.960 1.00 17.84 C ATOM 1742 OH TYR B 79 18.375 2.694 11.682 1.00 20.52 O ATOM 0 H TYR B 79 19.422 -1.534 15.911 1.00 9.58 H new ATOM 0 HA TYR B 79 20.952 0.425 16.744 1.00 9.51 H new ATOM 0 HB2 TYR B 79 18.147 0.054 17.129 1.00 9.72 H new ATOM 0 HB3 TYR B 79 18.865 1.371 17.554 1.00 9.72 H new ATOM 0 HD1 TYR B 79 20.142 2.580 15.681 1.00 12.78 H new ATOM 0 HD2 TYR B 79 17.219 -0.065 14.939 1.00 14.30 H new ATOM 0 HE1 TYR B 79 19.927 3.432 13.531 1.00 16.94 H new ATOM 0 HE2 TYR B 79 17.024 0.781 12.757 1.00 16.71 H new ATOM 0 HH TYR B 79 17.579 2.912 11.525 1.00 20.52 H new ATOM 1743 N GLY B 80 21.307 0.275 19.159 1.00 10.14 N ATOM 1744 CA GLY B 80 21.451 0.056 20.610 1.00 10.54 C ATOM 1745 C GLY B 80 21.884 1.302 21.331 1.00 10.91 C ATOM 1746 O GLY B 80 22.563 2.152 20.737 1.00 11.24 O ATOM 0 H GLY B 80 21.807 0.885 18.816 1.00 10.14 H new ATOM 0 HA2 GLY B 80 20.606 -0.250 20.975 1.00 10.54 H new ATOM 0 HA3 GLY B 80 22.099 -0.648 20.767 1.00 10.54 H new ATOM 1747 N PHE B 81 21.539 1.369 22.620 1.00 11.22 N ATOM 1748 CA PHE B 81 21.922 2.488 23.457 1.00 11.46 C ATOM 1749 C PHE B 81 23.418 2.569 23.671 1.00 12.45 C ATOM 1750 O PHE B 81 24.094 1.545 23.842 1.00 13.25 O ATOM 1751 CB PHE B 81 21.224 2.404 24.808 1.00 11.45 C ATOM 1752 CG PHE B 81 19.762 2.700 24.737 1.00 9.94 C ATOM 1753 CD1 PHE B 81 19.318 4.018 24.632 1.00 11.34 C ATOM 1754 CD2 PHE B 81 18.816 1.660 24.789 1.00 11.71 C ATOM 1755 CE1 PHE B 81 17.943 4.311 24.559 1.00 11.86 C ATOM 1756 CE2 PHE B 81 17.444 1.942 24.711 1.00 11.19 C ATOM 1757 CZ PHE B 81 17.002 3.274 24.592 1.00 13.11 C ATOM 0 H PHE B 81 21.078 0.766 23.024 1.00 11.22 H new ATOM 0 HA PHE B 81 21.646 3.292 22.989 1.00 11.46 H new ATOM 0 HB2 PHE B 81 21.350 1.515 25.175 1.00 11.45 H new ATOM 0 HB3 PHE B 81 21.644 3.027 25.421 1.00 11.45 H new ATOM 0 HD1 PHE B 81 19.937 4.711 24.610 1.00 11.34 H new ATOM 0 HD2 PHE B 81 19.102 0.779 24.876 1.00 11.71 H new ATOM 0 HE1 PHE B 81 17.659 5.194 24.489 1.00 11.86 H new ATOM 0 HE2 PHE B 81 16.825 1.248 24.738 1.00 11.19 H new ATOM 0 HZ PHE B 81 16.093 3.463 24.536 1.00 13.11 H new ATOM 1758 N ILE B 82 23.923 3.798 23.624 1.00 12.95 N ATOM 1759 CA ILE B 82 25.215 4.125 24.251 1.00 14.80 C ATOM 1760 C ILE B 82 24.917 5.325 25.155 1.00 15.88 C ATOM 1761 O ILE B 82 23.770 5.708 25.310 1.00 16.44 O ATOM 1762 CB ILE B 82 26.327 4.435 23.228 1.00 14.34 C ATOM 1763 CG1 ILE B 82 25.963 5.684 22.389 1.00 15.47 C ATOM 1764 CG2 ILE B 82 26.556 3.230 22.341 1.00 15.25 C ATOM 1765 CD1 ILE B 82 27.121 6.214 21.586 1.00 15.63 C ATOM 0 H ILE B 82 23.538 4.461 23.235 1.00 12.95 H new ATOM 0 HA ILE B 82 25.564 3.367 24.747 1.00 14.80 H new ATOM 0 HB ILE B 82 27.150 4.630 23.703 1.00 14.34 H new ATOM 0 HG12 ILE B 82 25.234 5.462 21.788 1.00 15.47 H new ATOM 0 HG13 ILE B 82 25.640 6.382 22.981 1.00 15.47 H new ATOM 0 HG21 ILE B 82 27.256 3.429 21.699 1.00 15.25 H new ATOM 0 HG22 ILE B 82 26.823 2.473 22.886 1.00 15.25 H new ATOM 0 HG23 ILE B 82 25.736 3.015 21.869 1.00 15.25 H new ATOM 0 HD11 ILE B 82 26.836 6.993 21.083 1.00 15.63 H new ATOM 0 HD12 ILE B 82 27.843 6.462 22.184 1.00 15.63 H new ATOM 0 HD13 ILE B 82 27.431 5.529 20.973 1.00 15.63 H new ATOM 1766 N AGLU B 83 25.964 5.890 25.754 0.50 16.57 N ATOM 1767 N BGLU B 83 25.954 5.899 25.761 0.50 16.93 N ATOM 1768 CA AGLU B 83 25.853 7.133 26.514 0.50 17.75 C ATOM 1769 CA BGLU B 83 25.774 7.116 26.549 0.50 18.44 C ATOM 1770 C AGLU B 83 25.373 8.258 25.591 0.50 17.81 C ATOM 1771 C BGLU B 83 25.391 8.296 25.665 0.50 18.24 C ATOM 1772 O AGLU B 83 26.078 8.636 24.641 0.50 19.01 O ATOM 1773 O BGLU B 83 26.178 8.766 24.838 0.50 19.63 O ATOM 1774 CB AGLU B 83 27.225 7.476 27.105 0.50 17.81 C ATOM 1775 CB BGLU B 83 27.035 7.442 27.340 0.50 18.78 C ATOM 1776 CG AGLU B 83 27.278 8.700 28.013 0.50 18.62 C ATOM 1777 CG BGLU B 83 27.026 6.867 28.723 0.50 21.92 C ATOM 1778 CD AGLU B 83 28.691 8.961 28.517 0.50 21.78 C ATOM 1779 CD BGLU B 83 25.912 7.423 29.601 0.50 23.17 C ATOM 1780 OE1AGLU B 83 29.276 8.061 29.160 0.50 23.68 O ATOM 1781 OE1BGLU B 83 25.407 8.530 29.326 0.50 25.87 O ATOM 1782 OE2AGLU B 83 29.224 10.060 28.262 0.50 23.48 O ATOM 1783 OE2BGLU B 83 25.544 6.743 30.572 0.50 23.20 O ATOM 0 H AGLU B 83 26.759 5.563 25.731 0.50 16.93 H new ATOM 0 H BGLU B 83 26.761 5.604 25.729 0.50 16.93 H new ATOM 0 HA AGLU B 83 25.211 7.028 27.233 0.50 18.44 H new ATOM 0 HA BGLU B 83 25.048 6.955 27.172 0.50 18.44 H new ATOM 0 HB2AGLU B 83 27.541 6.709 27.608 0.50 18.78 H new ATOM 0 HB2BGLU B 83 27.808 7.104 26.860 0.50 18.78 H new ATOM 0 HB3AGLU B 83 27.847 7.612 26.373 0.50 18.78 H new ATOM 0 HB3BGLU B 83 27.135 8.405 27.397 0.50 18.78 H new ATOM 0 HG2AGLU B 83 26.957 9.477 27.529 0.50 21.92 H new ATOM 0 HG2BGLU B 83 26.933 5.903 28.665 0.50 21.92 H new ATOM 0 HG3AGLU B 83 26.683 8.570 28.768 0.50 21.92 H new ATOM 0 HG3BGLU B 83 27.881 7.044 29.146 0.50 21.92 H new ATOM 1784 N GLY B 84 24.153 8.737 25.838 1.00 18.48 N ATOM 1785 CA GLY B 84 23.608 9.890 25.107 1.00 17.55 C ATOM 1786 C GLY B 84 23.027 9.673 23.718 1.00 16.31 C ATOM 1787 O GLY B 84 22.573 10.625 23.084 1.00 16.29 O ATOM 0 H AGLY B 84 23.620 8.408 26.428 0.50 18.48 H new ATOM 0 H BGLY B 84 23.596 8.378 26.386 0.50 18.48 H new ATOM 0 HA2 GLY B 84 22.913 10.284 25.657 1.00 17.55 H new ATOM 0 HA3 GLY B 84 24.316 10.549 25.029 1.00 17.55 H new ATOM 1788 N HIS B 85 23.061 8.436 23.223 1.00 15.37 N ATOM 1789 CA HIS B 85 22.653 8.180 21.836 1.00 14.40 C ATOM 1790 C HIS B 85 22.135 6.766 21.643 1.00 13.75 C ATOM 1791 O HIS B 85 22.308 5.912 22.519 1.00 13.88 O ATOM 1792 CB HIS B 85 23.816 8.392 20.841 1.00 14.77 C ATOM 1793 CG HIS B 85 24.564 9.677 21.035 1.00 18.66 C ATOM 1794 ND1 HIS B 85 24.130 10.876 20.510 1.00 20.52 N ATOM 1795 CD2 HIS B 85 25.712 9.950 21.702 1.00 21.92 C ATOM 1796 CE1 HIS B 85 24.982 11.834 20.838 1.00 22.22 C ATOM 1797 NE2 HIS B 85 25.946 11.300 21.566 1.00 23.91 N ATOM 0 H HIS B 85 23.312 7.741 23.663 1.00 15.37 H new ATOM 0 HA HIS B 85 21.944 8.817 21.657 1.00 14.40 H new ATOM 0 HB2 HIS B 85 24.438 7.652 20.923 1.00 14.77 H new ATOM 0 HB3 HIS B 85 23.464 8.368 19.937 1.00 14.77 H new ATOM 0 HD1 HIS B 85 23.417 10.984 20.042 1.00 20.52 H new ATOM 0 HD2 HIS B 85 26.241 9.341 22.164 1.00 21.92 H new ATOM 0 HE1 HIS B 85 24.914 12.730 20.597 1.00 22.22 H new ATOM 1798 N VAL B 86 21.506 6.543 20.491 1.00 12.09 N ATOM 1799 CA VAL B 86 21.182 5.214 19.996 1.00 11.71 C ATOM 1800 C VAL B 86 21.896 5.098 18.671 1.00 11.37 C ATOM 1801 O VAL B 86 21.761 6.000 17.817 1.00 12.08 O ATOM 1802 CB VAL B 86 19.644 5.004 19.836 1.00 10.82 C ATOM 1803 CG1 VAL B 86 19.334 3.651 19.179 1.00 11.28 C ATOM 1804 CG2 VAL B 86 18.952 5.084 21.200 1.00 11.24 C ATOM 0 H VAL B 86 21.252 7.176 19.967 1.00 12.09 H new ATOM 0 HA VAL B 86 21.465 4.528 20.621 1.00 11.71 H new ATOM 0 HB VAL B 86 19.307 5.709 19.262 1.00 10.82 H new ATOM 0 HG11 VAL B 86 18.374 3.546 19.092 1.00 11.28 H new ATOM 0 HG12 VAL B 86 19.744 3.616 18.301 1.00 11.28 H new ATOM 0 HG13 VAL B 86 19.688 2.935 19.729 1.00 11.28 H new ATOM 0 HG21 VAL B 86 17.998 4.952 21.087 1.00 11.24 H new ATOM 0 HG22 VAL B 86 19.306 4.395 21.784 1.00 11.24 H new ATOM 0 HG23 VAL B 86 19.113 5.956 21.594 1.00 11.24 H new ATOM 1805 N VAL B 87 22.695 4.039 18.502 1.00 11.15 N ATOM 1806 CA VAL B 87 23.615 3.957 17.344 1.00 11.62 C ATOM 1807 C VAL B 87 23.680 2.590 16.677 1.00 12.01 C ATOM 1808 O VAL B 87 23.242 1.576 17.256 1.00 12.28 O ATOM 1809 CB VAL B 87 25.061 4.371 17.743 1.00 11.41 C ATOM 1810 CG1 VAL B 87 25.086 5.731 18.379 1.00 11.88 C ATOM 1811 CG2 VAL B 87 25.702 3.334 18.681 1.00 12.20 C ATOM 0 H VAL B 87 22.725 3.364 19.034 1.00 11.15 H new ATOM 0 HA VAL B 87 23.238 4.576 16.699 1.00 11.62 H new ATOM 0 HB VAL B 87 25.582 4.407 16.926 1.00 11.41 H new ATOM 0 HG11 VAL B 87 25.998 5.961 18.616 1.00 11.88 H new ATOM 0 HG12 VAL B 87 24.740 6.387 17.754 1.00 11.88 H new ATOM 0 HG13 VAL B 87 24.536 5.725 19.178 1.00 11.88 H new ATOM 0 HG21 VAL B 87 26.600 3.618 18.912 1.00 12.20 H new ATOM 0 HG22 VAL B 87 25.170 3.255 19.489 1.00 12.20 H new ATOM 0 HG23 VAL B 87 25.740 2.474 18.235 1.00 12.20 H new ATOM 1812 N ILE B 88 24.262 2.558 15.476 1.00 11.82 N ATOM 1813 CA ILE B 88 24.721 1.292 14.871 1.00 12.45 C ATOM 1814 C ILE B 88 26.116 1.535 14.297 1.00 12.82 C ATOM 1815 O ILE B 88 26.295 2.451 13.472 1.00 13.03 O ATOM 1816 CB ILE B 88 23.832 0.839 13.682 1.00 12.82 C ATOM 1817 CG1 ILE B 88 22.377 0.670 14.081 1.00 12.98 C ATOM 1818 CG2 ILE B 88 24.382 -0.397 13.052 1.00 13.13 C ATOM 1819 CD1 ILE B 88 21.493 0.133 12.919 1.00 14.21 C ATOM 0 H ILE B 88 24.403 3.255 14.992 1.00 11.82 H new ATOM 0 HA ILE B 88 24.693 0.610 15.560 1.00 12.45 H new ATOM 0 HB ILE B 88 23.851 1.547 13.019 1.00 12.82 H new ATOM 0 HG12 ILE B 88 22.321 0.060 14.833 1.00 12.98 H new ATOM 0 HG13 ILE B 88 22.027 1.523 14.381 1.00 12.98 H new ATOM 0 HG21 ILE B 88 23.814 -0.664 12.313 1.00 13.13 H new ATOM 0 HG22 ILE B 88 25.278 -0.222 12.724 1.00 13.13 H new ATOM 0 HG23 ILE B 88 24.412 -1.110 13.709 1.00 13.13 H new ATOM 0 HD11 ILE B 88 20.577 0.043 13.224 1.00 14.21 H new ATOM 0 HD12 ILE B 88 21.526 0.753 12.174 1.00 14.21 H new ATOM 0 HD13 ILE B 88 21.824 -0.733 12.633 1.00 14.21 H new ATOM 1820 N PRO B 89 27.118 0.724 14.698 1.00 12.30 N ATOM 1821 CA PRO B 89 28.448 0.855 14.082 1.00 13.08 C ATOM 1822 C PRO B 89 28.499 0.051 12.775 1.00 13.08 C ATOM 1823 O PRO B 89 28.117 -1.136 12.756 1.00 13.62 O ATOM 1824 CB PRO B 89 29.374 0.265 15.149 1.00 12.36 C ATOM 1825 CG PRO B 89 28.522 -0.833 15.820 1.00 13.44 C ATOM 1826 CD PRO B 89 27.071 -0.316 15.748 1.00 12.40 C ATOM 0 HA PRO B 89 28.690 1.763 13.842 1.00 13.08 H new ATOM 0 HB2 PRO B 89 30.180 -0.103 14.755 1.00 12.36 H new ATOM 0 HB3 PRO B 89 29.653 0.939 15.789 1.00 12.36 H new ATOM 0 HG2 PRO B 89 28.616 -1.681 15.358 1.00 13.44 H new ATOM 0 HG3 PRO B 89 28.797 -0.978 16.739 1.00 13.44 H new ATOM 0 HD2 PRO B 89 26.451 -1.026 15.518 1.00 12.40 H new ATOM 0 HD3 PRO B 89 26.781 0.050 16.598 1.00 12.40 H new ATOM 1827 N ARG B 90 28.916 0.710 11.690 1.00 13.80 N ATOM 1828 CA ARG B 90 28.948 0.122 10.360 1.00 14.83 C ATOM 1829 C ARG B 90 30.293 0.245 9.681 1.00 15.56 C ATOM 1830 O ARG B 90 30.872 1.331 9.629 1.00 16.17 O ATOM 1831 CB ARG B 90 27.902 0.795 9.467 1.00 14.31 C ATOM 1832 CG ARG B 90 26.451 0.558 9.903 1.00 14.14 C ATOM 1833 CD ARG B 90 26.091 -0.937 9.941 1.00 14.20 C ATOM 1834 NE ARG B 90 26.345 -1.619 8.668 1.00 15.13 N ATOM 1835 CZ ARG B 90 26.342 -2.941 8.517 1.00 17.60 C ATOM 1836 NH1 ARG B 90 26.129 -3.752 9.556 1.00 18.25 N ATOM 1837 NH2 ARG B 90 26.593 -3.475 7.317 1.00 21.04 N ATOM 0 H ARG B 90 29.192 1.524 11.713 1.00 13.80 H new ATOM 0 HA ARG B 90 28.760 -0.822 10.480 1.00 14.83 H new ATOM 0 HB2 ARG B 90 28.072 1.750 9.452 1.00 14.31 H new ATOM 0 HB3 ARG B 90 28.012 0.473 8.559 1.00 14.31 H new ATOM 0 HG2 ARG B 90 26.312 0.945 10.782 1.00 14.14 H new ATOM 0 HG3 ARG B 90 25.853 1.017 9.293 1.00 14.14 H new ATOM 0 HD2 ARG B 90 26.603 -1.370 10.642 1.00 14.20 H new ATOM 0 HD3 ARG B 90 25.154 -1.033 10.173 1.00 14.20 H new ATOM 0 HE ARG B 90 26.506 -1.134 7.976 1.00 15.13 H new ATOM 0 HH11 ARG B 90 25.991 -3.422 10.338 1.00 18.25 H new ATOM 0 HH12 ARG B 90 26.130 -4.605 9.443 1.00 18.25 H new ATOM 0 HH21 ARG B 90 26.756 -2.964 6.645 1.00 21.04 H new ATOM 0 HH22 ARG B 90 26.591 -4.329 7.218 1.00 21.04 H new ATOM 1838 N ILE B 91 30.760 -0.881 9.151 1.00 17.15 N ATOM 1839 CA ILE B 91 32.006 -0.919 8.360 1.00 18.42 C ATOM 1840 C ILE B 91 31.664 -1.057 6.883 1.00 19.79 C ATOM 1841 O ILE B 91 32.234 -0.339 6.052 1.00 20.79 O ATOM 1842 CB ILE B 91 32.914 -2.061 8.829 1.00 19.06 C ATOM 1843 CG1 ILE B 91 33.419 -1.748 10.239 1.00 19.27 C ATOM 1844 CG2 ILE B 91 34.112 -2.255 7.884 1.00 20.37 C ATOM 1845 CD1 ILE B 91 34.042 -2.923 10.935 1.00 22.31 C ATOM 0 H ILE B 91 30.372 -1.644 9.234 1.00 17.15 H new ATOM 0 HA ILE B 91 32.493 -0.090 8.491 1.00 18.42 H new ATOM 0 HB ILE B 91 32.399 -2.883 8.828 1.00 19.06 H new ATOM 0 HG12 ILE B 91 34.070 -1.031 10.188 1.00 19.27 H new ATOM 0 HG13 ILE B 91 32.678 -1.422 10.774 1.00 19.27 H new ATOM 0 HG21 ILE B 91 34.665 -2.983 8.208 1.00 20.37 H new ATOM 0 HG22 ILE B 91 33.791 -2.465 6.993 1.00 20.37 H new ATOM 0 HG23 ILE B 91 34.636 -1.439 7.854 1.00 20.37 H new ATOM 0 HD11 ILE B 91 34.339 -2.656 11.819 1.00 22.31 H new ATOM 0 HD12 ILE B 91 33.389 -3.635 11.015 1.00 22.31 H new ATOM 0 HD13 ILE B 91 34.802 -3.238 10.421 1.00 22.31 H new ATOM 1846 N HIS B 92 30.717 -1.938 6.565 1.00 20.07 N ATOM 1847 CA HIS B 92 30.343 -2.218 5.169 1.00 21.27 C ATOM 1848 C HIS B 92 28.968 -1.643 4.871 1.00 20.48 C ATOM 1849 O HIS B 92 28.072 -1.773 5.694 1.00 20.48 O ATOM 1850 CB HIS B 92 30.309 -3.727 4.917 1.00 22.17 C ATOM 1851 CG HIS B 92 31.596 -4.417 5.248 1.00 25.95 C ATOM 1852 ND1 HIS B 92 31.766 -5.177 6.389 1.00 28.81 N ATOM 1853 CD2 HIS B 92 32.790 -4.427 4.609 1.00 29.01 C ATOM 1854 CE1 HIS B 92 33.004 -5.640 6.428 1.00 30.28 C ATOM 1855 NE2 HIS B 92 33.647 -5.198 5.361 1.00 29.26 N ATOM 0 H HIS B 92 30.273 -2.391 7.146 1.00 20.07 H new ATOM 0 HA HIS B 92 31.005 -1.807 4.591 1.00 21.27 H new ATOM 0 HB2 HIS B 92 29.595 -4.120 5.443 1.00 22.17 H new ATOM 0 HB3 HIS B 92 30.095 -3.887 3.985 1.00 22.17 H new ATOM 0 HD1 HIS B 92 31.161 -5.326 6.982 1.00 28.81 H new ATOM 0 HD2 HIS B 92 32.993 -3.994 3.811 1.00 29.01 H new ATOM 0 HE1 HIS B 92 33.361 -6.184 7.093 1.00 30.28 H new ATOM 1856 N PRO B 93 28.789 -1.011 3.691 1.00 19.05 N ATOM 1857 CA PRO B 93 27.458 -0.505 3.378 1.00 18.78 C ATOM 1858 C PRO B 93 26.466 -1.654 3.149 1.00 18.39 C ATOM 1859 O PRO B 93 26.721 -2.565 2.347 1.00 18.28 O ATOM 1860 CB PRO B 93 27.686 0.325 2.100 1.00 18.00 C ATOM 1861 CG PRO B 93 29.149 0.658 2.114 1.00 19.88 C ATOM 1862 CD PRO B 93 29.796 -0.567 2.711 1.00 19.65 C ATOM 0 HA PRO B 93 27.068 0.018 4.096 1.00 18.78 H new ATOM 0 HB2 PRO B 93 27.447 -0.179 1.306 1.00 18.00 H new ATOM 0 HB3 PRO B 93 27.142 1.128 2.100 1.00 18.00 H new ATOM 0 HG2 PRO B 93 29.482 0.836 1.220 1.00 19.88 H new ATOM 0 HG3 PRO B 93 29.328 1.449 2.646 1.00 19.88 H new ATOM 0 HD2 PRO B 93 29.972 -1.246 2.041 1.00 19.65 H new ATOM 0 HD3 PRO B 93 30.644 -0.359 3.133 1.00 19.65 H new ATOM 1863 N ASN B 94 25.364 -1.627 3.898 1.00 17.38 N ATOM 1864 CA ASN B 94 24.283 -2.577 3.732 1.00 18.11 C ATOM 1865 C ASN B 94 22.976 -1.796 3.727 1.00 18.65 C ATOM 1866 O ASN B 94 22.759 -0.949 4.594 1.00 17.85 O ATOM 1867 CB ASN B 94 24.322 -3.610 4.862 1.00 18.18 C ATOM 1868 CG ASN B 94 23.297 -4.719 4.700 1.00 20.83 C ATOM 1869 OD1 ASN B 94 22.143 -4.465 4.376 1.00 22.17 O ATOM 1870 ND2 ASN B 94 23.714 -5.951 4.978 1.00 24.36 N ATOM 0 H ASN B 94 25.228 -1.049 4.520 1.00 17.38 H new ATOM 0 HA ASN B 94 24.368 -3.063 2.897 1.00 18.11 H new ATOM 0 HB2 ASN B 94 25.209 -4.001 4.903 1.00 18.18 H new ATOM 0 HB3 ASN B 94 24.171 -3.160 5.708 1.00 18.18 H new ATOM 0 HD21 ASN B 94 23.165 -6.611 4.934 1.00 24.36 H new ATOM 0 HD22 ASN B 94 24.533 -6.087 5.202 1.00 24.36 H new ATOM 1871 N SER B 95 22.132 -2.063 2.724 1.00 19.89 N ATOM 1872 CA SER B 95 20.949 -1.264 2.463 1.00 21.61 C ATOM 1873 C SER B 95 19.976 -1.210 3.625 1.00 20.27 C ATOM 1874 O SER B 95 19.273 -0.229 3.771 1.00 22.25 O ATOM 1875 CB SER B 95 20.199 -1.844 1.257 1.00 22.59 C ATOM 1876 OG SER B 95 21.054 -1.840 0.138 1.00 27.06 O ATOM 0 H SER B 95 22.238 -2.719 2.177 1.00 19.89 H new ATOM 0 HA SER B 95 21.267 -0.362 2.301 1.00 21.61 H new ATOM 0 HB2 SER B 95 19.904 -2.748 1.449 1.00 22.59 H new ATOM 0 HB3 SER B 95 19.404 -1.319 1.073 1.00 22.59 H new ATOM 0 HG SER B 95 20.649 -2.158 -0.526 1.00 27.06 H new ATOM 1877 N ILE B 96 19.951 -2.264 4.422 1.00 20.87 N ATOM 1878 CA ILE B 96 19.001 -2.349 5.541 1.00 19.95 C ATOM 1879 C ILE B 96 19.660 -2.166 6.910 1.00 19.66 C ATOM 1880 O ILE B 96 19.040 -2.461 7.934 1.00 18.45 O ATOM 1881 CB ILE B 96 18.188 -3.668 5.516 1.00 20.38 C ATOM 1882 CG1 ILE B 96 19.084 -4.894 5.723 1.00 20.30 C ATOM 1883 CG2 ILE B 96 17.341 -3.742 4.209 1.00 20.92 C ATOM 1884 CD1 ILE B 96 18.334 -6.156 6.145 1.00 23.26 C ATOM 0 H ILE B 96 20.471 -2.944 4.340 1.00 20.87 H new ATOM 0 HA ILE B 96 18.392 -1.605 5.411 1.00 19.95 H new ATOM 0 HB ILE B 96 17.571 -3.672 6.265 1.00 20.38 H new ATOM 0 HG12 ILE B 96 19.562 -5.075 4.899 1.00 20.30 H new ATOM 0 HG13 ILE B 96 19.749 -4.685 6.397 1.00 20.30 H new ATOM 0 HG21 ILE B 96 16.834 -4.569 4.198 1.00 20.92 H new ATOM 0 HG22 ILE B 96 16.731 -2.989 4.176 1.00 20.92 H new ATOM 0 HG23 ILE B 96 17.930 -3.714 3.439 1.00 20.92 H new ATOM 0 HD11 ILE B 96 18.964 -6.885 6.256 1.00 23.26 H new ATOM 0 HD12 ILE B 96 17.876 -5.995 6.984 1.00 23.26 H new ATOM 0 HD13 ILE B 96 17.685 -6.391 5.463 1.00 23.26 H new ATOM 1885 N CYS B 97 20.904 -1.678 6.918 1.00 18.84 N ATOM 1886 CA CYS B 97 21.601 -1.352 8.172 1.00 18.11 C ATOM 1887 C CYS B 97 21.979 0.125 8.124 1.00 17.53 C ATOM 1888 O CYS B 97 22.826 0.540 7.313 1.00 17.97 O ATOM 1889 CB CYS B 97 22.854 -2.218 8.346 1.00 18.02 C ATOM 1890 SG CYS B 97 22.599 -3.991 8.185 1.00 18.04 S ATOM 0 H CYS B 97 21.364 -1.527 6.207 1.00 18.84 H new ATOM 0 HA CYS B 97 21.020 -1.531 8.928 1.00 18.11 H new ATOM 0 HB2 CYS B 97 23.513 -1.941 7.690 1.00 18.02 H new ATOM 0 HB3 CYS B 97 23.232 -2.040 9.221 1.00 18.02 H new ATOM 1891 N ALA B 98 21.322 0.948 8.935 1.00 17.16 N ATOM 1892 CA ALA B 98 21.669 2.382 9.011 1.00 16.72 C ATOM 1893 C ALA B 98 21.636 3.064 7.640 1.00 17.14 C ATOM 1894 O ALA B 98 22.492 3.886 7.327 1.00 17.21 O ATOM 1895 CB ALA B 98 23.051 2.576 9.651 1.00 16.72 C ATOM 0 H ALA B 98 20.676 0.707 9.449 1.00 17.16 H new ATOM 0 HA ALA B 98 20.993 2.801 9.567 1.00 16.72 H new ATOM 0 HB1 ALA B 98 23.259 3.523 9.691 1.00 16.72 H new ATOM 0 HB2 ALA B 98 23.047 2.208 10.548 1.00 16.72 H new ATOM 0 HB3 ALA B 98 23.721 2.120 9.118 1.00 16.72 H new ATOM 1896 N ALA B 99 20.635 2.700 6.850 1.00 18.10 N ATOM 1897 CA ALA B 99 20.391 3.337 5.541 1.00 19.33 C ATOM 1898 C ALA B 99 21.658 3.387 4.666 1.00 18.98 C ATOM 1899 O ALA B 99 21.922 4.406 4.028 1.00 20.30 O ATOM 1900 CB ALA B 99 19.798 4.732 5.750 1.00 19.93 C ATOM 0 H ALA B 99 20.074 2.079 7.048 1.00 18.10 H new ATOM 0 HA ALA B 99 19.752 2.791 5.056 1.00 19.33 H new ATOM 0 HB1 ALA B 99 19.639 5.148 4.889 1.00 19.93 H new ATOM 0 HB2 ALA B 99 18.960 4.659 6.233 1.00 19.93 H new ATOM 0 HB3 ALA B 99 20.419 5.275 6.261 1.00 19.93 H new ATOM 1901 N ASN B 100 22.413 2.284 4.648 1.00 17.89 N ATOM 1902 CA ASN B 100 23.652 2.127 3.839 1.00 17.97 C ATOM 1903 C ASN B 100 24.845 2.962 4.268 1.00 18.26 C ATOM 1904 O ASN B 100 25.859 3.042 3.555 1.00 19.06 O ATOM 1905 CB ASN B 100 23.373 2.393 2.345 1.00 17.82 C ATOM 1906 CG ASN B 100 24.096 1.433 1.435 1.00 18.23 C ATOM 1907 OD1 ASN B 100 24.366 0.290 1.791 1.00 18.92 O ATOM 1908 ND2 ASN B 100 24.396 1.893 0.214 1.00 20.36 N ATOM 0 H ASN B 100 22.223 1.586 5.113 1.00 17.89 H new ATOM 0 HA ASN B 100 23.906 1.204 3.997 1.00 17.97 H new ATOM 0 HB2 ASN B 100 22.419 2.330 2.182 1.00 17.82 H new ATOM 0 HB3 ASN B 100 23.638 3.300 2.127 1.00 17.82 H new ATOM 0 HD21 ASN B 100 24.792 1.382 -0.353 1.00 20.36 H new ATOM 0 HD22 ASN B 100 24.193 2.700 -0.004 1.00 20.36 H new ATOM 1909 N ASN B 101 24.731 3.602 5.429 1.00 18.20 N ATOM 1910 CA ASN B 101 25.829 4.393 5.960 1.00 17.93 C ATOM 1911 C ASN B 101 26.979 3.563 6.529 1.00 17.51 C ATOM 1912 O ASN B 101 26.818 2.388 6.856 1.00 17.78 O ATOM 1913 CB ASN B 101 25.302 5.352 7.018 1.00 17.49 C ATOM 1914 CG ASN B 101 24.584 6.540 6.402 1.00 18.85 C ATOM 1915 OD1 ASN B 101 25.220 7.404 5.780 1.00 23.02 O ATOM 1916 ND2 ASN B 101 23.275 6.576 6.537 1.00 19.22 N ATOM 0 H ASN B 101 24.026 3.589 5.922 1.00 18.20 H new ATOM 0 HA ASN B 101 26.202 4.882 5.210 1.00 17.93 H new ATOM 0 HB2 ASN B 101 24.695 4.879 7.609 1.00 17.49 H new ATOM 0 HB3 ASN B 101 26.040 5.668 7.563 1.00 17.49 H new ATOM 0 HD21 ASN B 101 22.824 7.219 6.186 1.00 19.22 H new ATOM 0 HD22 ASN B 101 22.871 5.957 6.976 1.00 19.22 H new ATOM 1917 N THR B 102 28.158 4.171 6.553 1.00 18.20 N ATOM 1918 CA THR B 102 29.277 3.624 7.310 1.00 18.25 C ATOM 1919 C THR B 102 29.643 4.627 8.396 1.00 17.79 C ATOM 1920 O THR B 102 29.270 5.802 8.324 1.00 18.11 O ATOM 1921 CB THR B 102 30.494 3.306 6.421 1.00 18.70 C ATOM 1922 OG1 THR B 102 30.898 4.505 5.742 1.00 19.57 O ATOM 1923 CG2 THR B 102 30.137 2.241 5.390 1.00 20.37 C ATOM 0 H THR B 102 28.332 4.903 6.137 1.00 18.20 H new ATOM 0 HA THR B 102 29.009 2.778 7.702 1.00 18.25 H new ATOM 0 HB THR B 102 31.216 2.973 6.977 1.00 18.70 H new ATOM 0 HG1 THR B 102 31.563 4.341 5.255 1.00 19.57 H new ATOM 0 HG21 THR B 102 30.912 2.052 4.838 1.00 20.37 H new ATOM 0 HG22 THR B 102 29.858 1.431 5.845 1.00 20.37 H new ATOM 0 HG23 THR B 102 29.413 2.562 4.830 1.00 20.37 H new ATOM 1924 N GLY B 103 30.371 4.151 9.405 1.00 16.96 N ATOM 1925 CA GLY B 103 30.671 4.945 10.589 1.00 15.24 C ATOM 1926 C GLY B 103 29.777 4.569 11.752 1.00 15.71 C ATOM 1927 O GLY B 103 29.080 3.572 11.693 1.00 15.36 O ATOM 0 H GLY B 103 30.704 3.358 9.420 1.00 16.96 H new ATOM 0 HA2 GLY B 103 31.599 4.817 10.839 1.00 15.24 H new ATOM 0 HA3 GLY B 103 30.559 5.887 10.385 1.00 15.24 H new ATOM 1928 N VAL B 104 29.810 5.366 12.811 1.00 15.73 N ATOM 1929 CA VAL B 104 28.872 5.180 13.922 1.00 15.51 C ATOM 1930 C VAL B 104 27.622 5.994 13.591 1.00 16.06 C ATOM 1931 O VAL B 104 27.589 7.228 13.760 1.00 17.86 O ATOM 1932 CB VAL B 104 29.480 5.572 15.285 1.00 16.19 C ATOM 1933 CG1 VAL B 104 28.437 5.341 16.402 1.00 16.42 C ATOM 1934 CG2 VAL B 104 30.753 4.757 15.536 1.00 16.55 C ATOM 0 H VAL B 104 30.362 6.018 12.911 1.00 15.73 H new ATOM 0 HA VAL B 104 28.650 4.240 14.016 1.00 15.51 H new ATOM 0 HB VAL B 104 29.719 6.512 15.282 1.00 16.19 H new ATOM 0 HG11 VAL B 104 28.820 5.588 17.258 1.00 16.42 H new ATOM 0 HG12 VAL B 104 27.653 5.885 16.230 1.00 16.42 H new ATOM 0 HG13 VAL B 104 28.183 4.405 16.419 1.00 16.42 H new ATOM 0 HG21 VAL B 104 31.133 5.006 16.393 1.00 16.55 H new ATOM 0 HG22 VAL B 104 30.536 3.811 15.541 1.00 16.55 H new ATOM 0 HG23 VAL B 104 31.397 4.937 14.833 1.00 16.55 H new ATOM 1935 N TYR B 105 26.603 5.302 13.079 1.00 14.47 N ATOM 1936 CA TYR B 105 25.370 5.951 12.652 1.00 14.26 C ATOM 1937 C TYR B 105 24.561 6.308 13.877 1.00 14.10 C ATOM 1938 O TYR B 105 24.314 5.447 14.737 1.00 14.04 O ATOM 1939 CB TYR B 105 24.563 4.996 11.774 1.00 14.08 C ATOM 1940 CG TYR B 105 23.240 5.564 11.345 1.00 15.08 C ATOM 1941 CD1 TYR B 105 23.170 6.492 10.291 1.00 18.03 C ATOM 1942 CD2 TYR B 105 22.071 5.193 12.000 1.00 16.86 C ATOM 1943 CE1 TYR B 105 21.938 7.035 9.906 1.00 20.11 C ATOM 1944 CE2 TYR B 105 20.856 5.731 11.634 1.00 19.18 C ATOM 1945 CZ TYR B 105 20.791 6.632 10.584 1.00 21.81 C ATOM 1946 OH TYR B 105 19.538 7.118 10.261 1.00 23.77 O ATOM 0 H TYR B 105 26.610 4.449 12.971 1.00 14.47 H new ATOM 0 HA TYR B 105 25.579 6.751 12.145 1.00 14.26 H new ATOM 0 HB2 TYR B 105 25.083 4.772 10.986 1.00 14.08 H new ATOM 0 HB3 TYR B 105 24.412 4.169 12.259 1.00 14.08 H new ATOM 0 HD1 TYR B 105 23.946 6.747 9.847 1.00 18.03 H new ATOM 0 HD2 TYR B 105 22.109 4.574 12.693 1.00 16.86 H new ATOM 0 HE1 TYR B 105 21.887 7.652 9.212 1.00 20.11 H new ATOM 0 HE2 TYR B 105 20.082 5.490 12.090 1.00 19.18 H new ATOM 0 HH TYR B 105 18.950 6.639 10.622 1.00 23.77 H new ATOM 1947 N ILE B 106 24.132 7.561 13.953 1.00 13.49 N ATOM 1948 CA ILE B 106 23.347 8.018 15.093 1.00 13.61 C ATOM 1949 C ILE B 106 21.868 8.116 14.686 1.00 14.10 C ATOM 1950 O ILE B 106 21.501 8.908 13.787 1.00 14.77 O ATOM 1951 CB ILE B 106 23.886 9.379 15.623 1.00 14.14 C ATOM 1952 CG1 ILE B 106 25.388 9.292 15.964 1.00 16.43 C ATOM 1953 CG2 ILE B 106 23.049 9.853 16.822 1.00 14.71 C ATOM 1954 CD1 ILE B 106 25.999 10.631 16.442 1.00 19.69 C ATOM 0 H ILE B 106 24.284 8.162 13.357 1.00 13.49 H new ATOM 0 HA ILE B 106 23.426 7.378 15.817 1.00 13.61 H new ATOM 0 HB ILE B 106 23.798 10.041 14.920 1.00 14.14 H new ATOM 0 HG12 ILE B 106 25.516 8.623 16.655 1.00 16.43 H new ATOM 0 HG13 ILE B 106 25.872 8.987 15.181 1.00 16.43 H new ATOM 0 HG21 ILE B 106 23.394 10.701 17.143 1.00 14.71 H new ATOM 0 HG22 ILE B 106 22.125 9.963 16.548 1.00 14.71 H new ATOM 0 HG23 ILE B 106 23.099 9.194 17.532 1.00 14.71 H new ATOM 0 HD11 ILE B 106 26.941 10.505 16.638 1.00 19.69 H new ATOM 0 HD12 ILE B 106 25.901 11.299 15.745 1.00 19.69 H new ATOM 0 HD13 ILE B 106 25.539 10.929 17.242 1.00 19.69 H new ATOM 1955 N LEU B 107 21.014 7.340 15.363 1.00 13.03 N ATOM 1956 CA LEU B 107 19.585 7.338 15.079 1.00 13.52 C ATOM 1957 C LEU B 107 18.914 8.519 15.749 1.00 14.46 C ATOM 1958 O LEU B 107 19.221 8.837 16.902 1.00 14.89 O ATOM 1959 CB LEU B 107 18.966 6.031 15.615 1.00 12.91 C ATOM 1960 CG LEU B 107 17.459 5.878 15.423 1.00 12.08 C ATOM 1961 CD1 LEU B 107 17.170 5.661 13.944 1.00 13.72 C ATOM 1962 CD2 LEU B 107 16.892 4.715 16.248 1.00 12.55 C ATOM 0 H LEU B 107 21.250 6.806 15.994 1.00 13.03 H new ATOM 0 HA LEU B 107 19.452 7.403 14.120 1.00 13.52 H new ATOM 0 HB2 LEU B 107 19.407 5.283 15.182 1.00 12.91 H new ATOM 0 HB3 LEU B 107 19.162 5.966 16.563 1.00 12.91 H new ATOM 0 HG LEU B 107 17.026 6.688 15.735 1.00 12.08 H new ATOM 0 HD11 LEU B 107 16.214 5.563 13.812 1.00 13.72 H new ATOM 0 HD12 LEU B 107 17.489 6.423 13.436 1.00 13.72 H new ATOM 0 HD13 LEU B 107 17.622 4.858 13.640 1.00 13.72 H new ATOM 0 HD21 LEU B 107 15.936 4.649 16.101 1.00 12.55 H new ATOM 0 HD22 LEU B 107 17.318 3.887 15.976 1.00 12.55 H new ATOM 0 HD23 LEU B 107 17.063 4.872 17.190 1.00 12.55 H new ATOM 1963 N THR B 108 18.012 9.201 15.028 1.00 15.44 N ATOM 1964 CA THR B 108 17.133 10.170 15.693 1.00 16.31 C ATOM 1965 C THR B 108 16.064 9.325 16.348 1.00 16.72 C ATOM 1966 O THR B 108 15.059 8.991 15.727 1.00 16.89 O ATOM 1967 CB THR B 108 16.514 11.155 14.715 1.00 17.15 C ATOM 1968 OG1 THR B 108 17.574 11.864 14.062 1.00 20.34 O ATOM 1969 CG2 THR B 108 15.642 12.155 15.453 1.00 18.00 C ATOM 0 H THR B 108 17.896 9.120 14.180 1.00 15.44 H new ATOM 0 HA THR B 108 17.625 10.715 16.326 1.00 16.31 H new ATOM 0 HB THR B 108 15.969 10.674 14.073 1.00 17.15 H new ATOM 0 HG1 THR B 108 17.249 12.413 13.515 1.00 20.34 H new ATOM 0 HG21 THR B 108 15.254 12.777 14.818 1.00 18.00 H new ATOM 0 HG22 THR B 108 14.933 11.685 15.919 1.00 18.00 H new ATOM 0 HG23 THR B 108 16.181 12.643 16.095 1.00 18.00 H new ATOM 1970 N SER B 109 16.346 8.886 17.581 1.00 16.69 N ATOM 1971 CA SER B 109 15.572 7.790 18.174 1.00 16.37 C ATOM 1972 C SER B 109 14.199 8.295 18.597 1.00 16.16 C ATOM 1973 O SER B 109 14.084 9.339 19.221 1.00 18.04 O ATOM 1974 CB SER B 109 16.351 7.136 19.338 1.00 16.55 C ATOM 1975 OG SER B 109 16.534 8.048 20.403 1.00 19.25 O ATOM 0 H SER B 109 16.969 9.203 18.081 1.00 16.69 H new ATOM 0 HA SER B 109 15.434 7.096 17.511 1.00 16.37 H new ATOM 0 HB2 SER B 109 15.870 6.356 19.655 1.00 16.55 H new ATOM 0 HB3 SER B 109 17.214 6.827 19.021 1.00 16.55 H new ATOM 0 HG SER B 109 15.945 7.918 20.988 1.00 19.25 H new ATOM 1976 N ASN B 110 13.166 7.563 18.222 1.00 14.30 N ATOM 1977 CA ASN B 110 11.802 8.014 18.425 1.00 14.13 C ATOM 1978 C ASN B 110 10.974 7.110 19.295 1.00 14.50 C ATOM 1979 O ASN B 110 9.856 7.464 19.643 1.00 16.11 O ATOM 1980 CB ASN B 110 11.074 8.156 17.093 1.00 14.01 C ATOM 1981 CG ASN B 110 9.989 9.218 17.158 1.00 13.91 C ATOM 1982 OD1 ASN B 110 10.198 10.257 17.788 1.00 12.87 O ATOM 1983 ND2 ASN B 110 8.828 8.949 16.556 1.00 13.69 N ATOM 0 H ASN B 110 13.234 6.794 17.844 1.00 14.30 H new ATOM 0 HA ASN B 110 11.894 8.867 18.878 1.00 14.13 H new ATOM 0 HB2 ASN B 110 11.711 8.385 16.398 1.00 14.01 H new ATOM 0 HB3 ASN B 110 10.680 7.305 16.847 1.00 14.01 H new ATOM 0 HD21 ASN B 110 8.181 9.514 16.597 1.00 13.69 H new ATOM 0 HD22 ASN B 110 8.727 8.210 16.127 1.00 13.69 H new ATOM 1984 N THR B 111 11.512 5.932 19.633 1.00 14.14 N ATOM 1985 CA THR B 111 10.752 4.947 20.392 1.00 15.19 C ATOM 1986 C THR B 111 11.598 4.489 21.590 1.00 13.94 C ATOM 1987 O THR B 111 12.738 4.955 21.762 1.00 15.17 O ATOM 1988 CB THR B 111 10.232 3.780 19.496 1.00 15.19 C ATOM 1989 OG1 THR B 111 9.271 3.018 20.225 1.00 20.76 O ATOM 1990 CG2 THR B 111 11.356 2.896 18.997 1.00 15.66 C ATOM 0 H THR B 111 12.312 5.690 19.431 1.00 14.14 H new ATOM 0 HA THR B 111 9.942 5.353 20.738 1.00 15.19 H new ATOM 0 HB THR B 111 9.814 4.165 18.710 1.00 15.19 H new ATOM 0 HG1 THR B 111 9.620 2.299 20.483 1.00 20.76 H new ATOM 0 HG21 THR B 111 10.990 2.186 18.446 1.00 15.66 H new ATOM 0 HG22 THR B 111 11.976 3.426 18.471 1.00 15.66 H new ATOM 0 HG23 THR B 111 11.824 2.509 19.754 1.00 15.66 H new ATOM 1991 N SER B 112 11.033 3.613 22.407 1.00 14.16 N ATOM 1992 CA SER B 112 11.622 3.397 23.727 1.00 14.16 C ATOM 1993 C SER B 112 12.537 2.192 23.863 1.00 13.07 C ATOM 1994 O SER B 112 13.386 2.191 24.767 1.00 13.72 O ATOM 1995 CB SER B 112 10.528 3.293 24.778 1.00 15.80 C ATOM 1996 OG SER B 112 9.774 4.496 24.817 1.00 23.15 O ATOM 0 H SER B 112 10.333 3.146 22.230 1.00 14.16 H new ATOM 0 HA SER B 112 12.188 4.174 23.860 1.00 14.16 H new ATOM 0 HB2 SER B 112 9.946 2.544 24.576 1.00 15.80 H new ATOM 0 HB3 SER B 112 10.921 3.120 25.648 1.00 15.80 H new ATOM 0 HG SER B 112 9.171 4.430 25.398 1.00 23.15 H new ATOM 1997 N GLN B 113 12.396 1.197 23.002 1.00 11.17 N ATOM 1998 CA GLN B 113 13.137 -0.057 23.200 1.00 11.09 C ATOM 1999 C GLN B 113 14.041 -0.374 22.010 1.00 10.08 C ATOM 2000 O GLN B 113 13.566 -0.403 20.872 1.00 11.14 O ATOM 2001 CB GLN B 113 12.176 -1.227 23.436 1.00 11.32 C ATOM 2002 CG GLN B 113 11.500 -1.158 24.824 1.00 13.92 C ATOM 2003 CD GLN B 113 10.521 -2.280 25.063 1.00 19.62 C ATOM 2004 OE1 GLN B 113 10.282 -3.118 24.200 1.00 22.61 O ATOM 2005 NE2 GLN B 113 9.929 -2.297 26.254 1.00 22.35 N ATOM 0 H GLN B 113 11.889 1.217 22.308 1.00 11.17 H new ATOM 0 HA GLN B 113 13.694 0.065 23.985 1.00 11.09 H new ATOM 0 HB2 GLN B 113 11.494 -1.227 22.746 1.00 11.32 H new ATOM 0 HB3 GLN B 113 12.661 -2.063 23.356 1.00 11.32 H new ATOM 0 HG2 GLN B 113 12.184 -1.181 25.512 1.00 13.92 H new ATOM 0 HG3 GLN B 113 11.038 -0.309 24.911 1.00 13.92 H new ATOM 0 HE21 GLN B 113 10.119 -1.694 26.837 1.00 22.35 H new ATOM 0 HE22 GLN B 113 9.356 -2.911 26.441 1.00 22.35 H new ATOM 2006 N TYR B 114 15.332 -0.599 22.273 1.00 9.80 N ATOM 2007 CA TYR B 114 16.259 -1.048 21.235 1.00 9.86 C ATOM 2008 C TYR B 114 17.075 -2.188 21.838 1.00 9.08 C ATOM 2009 O TYR B 114 16.539 -2.905 22.688 1.00 10.05 O ATOM 2010 CB TYR B 114 17.129 0.101 20.734 1.00 9.92 C ATOM 2011 CG TYR B 114 16.348 1.301 20.208 1.00 9.73 C ATOM 2012 CD1 TYR B 114 15.859 1.316 18.889 1.00 11.11 C ATOM 2013 CD2 TYR B 114 16.098 2.412 21.026 1.00 11.00 C ATOM 2014 CE1 TYR B 114 15.152 2.411 18.403 1.00 11.40 C ATOM 2015 CE2 TYR B 114 15.392 3.508 20.556 1.00 12.22 C ATOM 2016 CZ TYR B 114 14.923 3.495 19.250 1.00 12.34 C ATOM 2017 OH TYR B 114 14.244 4.602 18.782 1.00 12.36 O ATOM 0 H TYR B 114 15.689 -0.497 23.049 1.00 9.80 H new ATOM 0 HA TYR B 114 15.783 -1.364 20.451 1.00 9.86 H new ATOM 0 HB2 TYR B 114 17.704 0.395 21.457 1.00 9.92 H new ATOM 0 HB3 TYR B 114 17.707 -0.229 20.028 1.00 9.92 H new ATOM 0 HD1 TYR B 114 16.010 0.585 18.335 1.00 11.11 H new ATOM 0 HD2 TYR B 114 16.412 2.413 21.901 1.00 11.00 H new ATOM 0 HE1 TYR B 114 14.837 2.420 17.528 1.00 11.40 H new ATOM 0 HE2 TYR B 114 15.235 4.241 21.107 1.00 12.22 H new ATOM 0 HH TYR B 114 14.032 4.482 17.978 1.00 12.36 H new ATOM 2018 N ASP B 115 18.322 -2.391 21.411 1.00 9.46 N ATOM 2019 CA ASP B 115 19.264 -3.284 22.109 1.00 9.51 C ATOM 2020 C ASP B 115 20.155 -2.355 22.933 1.00 10.43 C ATOM 2021 O ASP B 115 19.863 -1.169 23.072 1.00 10.54 O ATOM 2022 CB ASP B 115 20.094 -4.077 21.087 1.00 8.94 C ATOM 2023 CG ASP B 115 19.257 -5.043 20.237 1.00 11.65 C ATOM 2024 OD1 ASP B 115 18.081 -5.367 20.538 1.00 10.74 O ATOM 2025 OD2 ASP B 115 19.823 -5.477 19.217 1.00 12.31 O ATOM 0 H ASP B 115 18.650 -2.017 20.709 1.00 9.46 H new ATOM 0 HA ASP B 115 18.812 -3.935 22.668 1.00 9.51 H new ATOM 0 HB2 ASP B 115 20.552 -3.455 20.500 1.00 8.94 H new ATOM 0 HB3 ASP B 115 20.778 -4.580 21.557 1.00 8.94 H new ATOM 2026 N THR B 116 21.256 -2.875 23.467 1.00 10.20 N ATOM 2027 CA THR B 116 22.214 -1.983 24.090 1.00 10.26 C ATOM 2028 C THR B 116 23.622 -2.367 23.701 1.00 10.67 C ATOM 2029 O THR B 116 23.854 -3.513 23.331 1.00 11.40 O ATOM 2030 CB THR B 116 22.084 -1.944 25.624 1.00 11.55 C ATOM 2031 OG1 THR B 116 22.805 -0.807 26.110 1.00 12.29 O ATOM 2032 CG2 THR B 116 22.592 -3.244 26.298 1.00 13.78 C ATOM 0 H THR B 116 21.459 -3.711 23.478 1.00 10.20 H new ATOM 0 HA THR B 116 22.016 -1.091 23.764 1.00 10.26 H new ATOM 0 HB THR B 116 21.144 -1.872 25.852 1.00 11.55 H new ATOM 0 HG1 THR B 116 23.625 -0.988 26.142 1.00 12.29 H new ATOM 0 HG21 THR B 116 22.490 -3.171 27.260 1.00 13.78 H new ATOM 0 HG22 THR B 116 22.076 -3.999 25.975 1.00 13.78 H new ATOM 0 HG23 THR B 116 23.528 -3.376 26.082 1.00 13.78 H new ATOM 2033 N TYR B 117 24.517 -1.388 23.788 1.00 10.99 N ATOM 2034 CA TYR B 117 25.950 -1.672 23.829 1.00 11.63 C ATOM 2035 C TYR B 117 26.450 -1.464 25.235 1.00 12.05 C ATOM 2036 O TYR B 117 25.818 -0.764 26.040 1.00 12.57 O ATOM 2037 CB TYR B 117 26.705 -0.771 22.853 1.00 11.54 C ATOM 2038 CG TYR B 117 26.223 -1.006 21.432 1.00 11.47 C ATOM 2039 CD1 TYR B 117 26.775 -2.021 20.634 1.00 10.97 C ATOM 2040 CD2 TYR B 117 25.219 -0.177 20.885 1.00 12.45 C ATOM 2041 CE1 TYR B 117 26.285 -2.251 19.328 1.00 12.17 C ATOM 2042 CE2 TYR B 117 24.740 -0.389 19.579 1.00 11.02 C ATOM 2043 CZ TYR B 117 25.290 -1.422 18.828 1.00 11.92 C ATOM 2044 OH TYR B 117 24.844 -1.658 17.554 1.00 12.77 O ATOM 0 H TYR B 117 24.317 -0.552 23.825 1.00 10.99 H new ATOM 0 HA TYR B 117 26.104 -2.592 23.563 1.00 11.63 H new ATOM 0 HB2 TYR B 117 26.574 0.159 23.095 1.00 11.54 H new ATOM 0 HB3 TYR B 117 27.657 -0.948 22.911 1.00 11.54 H new ATOM 0 HD1 TYR B 117 27.467 -2.545 20.967 1.00 10.97 H new ATOM 0 HD2 TYR B 117 24.870 0.518 21.395 1.00 12.45 H new ATOM 0 HE1 TYR B 117 26.624 -2.947 18.812 1.00 12.17 H new ATOM 0 HE2 TYR B 117 24.070 0.150 19.226 1.00 11.02 H new ATOM 0 HH TYR B 117 24.005 -1.615 17.538 1.00 12.77 H new ATOM 2045 N CYS B 118 27.574 -2.104 25.546 1.00 13.02 N ATOM 2046 CA CYS B 118 28.200 -1.966 26.857 1.00 13.32 C ATOM 2047 C CYS B 118 29.705 -1.957 26.681 1.00 13.62 C ATOM 2048 O CYS B 118 30.204 -2.524 25.722 1.00 14.05 O ATOM 2049 CB CYS B 118 27.873 -3.159 27.748 1.00 13.65 C ATOM 2050 SG CYS B 118 26.145 -3.391 28.162 1.00 16.45 S ATOM 0 H CYS B 118 27.993 -2.627 25.007 1.00 13.02 H new ATOM 0 HA CYS B 118 27.871 -1.148 27.261 1.00 13.32 H new ATOM 0 HB2 CYS B 118 28.191 -3.963 27.309 1.00 13.65 H new ATOM 0 HB3 CYS B 118 28.374 -3.069 28.573 1.00 13.65 H new ATOM 2051 N PHE B 119 30.399 -1.312 27.616 1.00 15.27 N ATOM 2052 CA PHE B 119 31.851 -1.212 27.587 1.00 16.42 C ATOM 2053 C PHE B 119 32.390 -1.807 28.885 1.00 16.78 C ATOM 2054 O PHE B 119 32.003 -1.372 29.966 1.00 16.87 O ATOM 2055 CB PHE B 119 32.272 0.252 27.499 1.00 16.78 C ATOM 2056 CG PHE B 119 33.736 0.470 27.776 1.00 18.86 C ATOM 2057 CD1 PHE B 119 34.682 0.203 26.793 1.00 20.65 C ATOM 2058 CD2 PHE B 119 34.162 0.921 29.024 1.00 18.39 C ATOM 2059 CE1 PHE B 119 36.058 0.396 27.043 1.00 21.40 C ATOM 2060 CE2 PHE B 119 35.538 1.108 29.293 1.00 21.43 C ATOM 2061 CZ PHE B 119 36.474 0.849 28.304 1.00 21.46 C ATOM 0 H PHE B 119 30.036 -0.918 28.289 1.00 15.27 H new ATOM 0 HA PHE B 119 32.200 -1.687 26.817 1.00 16.42 H new ATOM 0 HB2 PHE B 119 32.063 0.589 26.614 1.00 16.78 H new ATOM 0 HB3 PHE B 119 31.749 0.771 28.130 1.00 16.78 H new ATOM 0 HD1 PHE B 119 34.405 -0.106 25.961 1.00 20.65 H new ATOM 0 HD2 PHE B 119 33.535 1.101 29.687 1.00 18.39 H new ATOM 0 HE1 PHE B 119 36.684 0.224 26.377 1.00 21.40 H new ATOM 0 HE2 PHE B 119 35.814 1.404 30.131 1.00 21.43 H new ATOM 0 HZ PHE B 119 37.379 0.976 28.477 1.00 21.46 H new ATOM 2062 N ASN B 120 33.268 -2.793 28.742 1.00 18.19 N ATOM 2063 CA ASN B 120 33.956 -3.404 29.895 1.00 20.47 C ATOM 2064 C ASN B 120 35.423 -2.961 29.941 1.00 21.43 C ATOM 2065 O ASN B 120 36.190 -3.231 29.010 1.00 21.12 O ATOM 2066 CB ASN B 120 33.834 -4.923 29.842 1.00 21.18 C ATOM 2067 CG ASN B 120 34.451 -5.597 31.062 1.00 24.62 C ATOM 2068 OD1 ASN B 120 35.667 -5.709 31.162 1.00 28.12 O ATOM 2069 ND2 ASN B 120 33.623 -6.024 31.990 1.00 25.64 N ATOM 0 H ASN B 120 33.486 -3.131 27.982 1.00 18.19 H new ATOM 0 HA ASN B 120 33.530 -3.100 30.712 1.00 20.47 H new ATOM 0 HB2 ASN B 120 32.898 -5.168 29.779 1.00 21.18 H new ATOM 0 HB3 ASN B 120 34.268 -5.252 29.039 1.00 21.18 H new ATOM 0 HD21 ASN B 120 33.930 -6.399 32.701 1.00 25.64 H new ATOM 0 HD22 ASN B 120 32.775 -5.929 31.886 1.00 25.64 H new ATOM 2070 N ALA B 121 35.775 -2.264 31.019 1.00 23.47 N ATOM 2071 CA ALA B 121 37.099 -1.651 31.197 1.00 25.94 C ATOM 2072 C ALA B 121 38.210 -2.684 31.391 1.00 27.32 C ATOM 2073 O ALA B 121 39.375 -2.397 31.114 1.00 28.47 O ATOM 2074 CB ALA B 121 37.069 -0.690 32.352 1.00 25.79 C ATOM 0 H ALA B 121 35.244 -2.129 31.682 1.00 23.47 H new ATOM 0 HA ALA B 121 37.304 -1.172 30.379 1.00 25.94 H new ATOM 0 HB1 ALA B 121 37.946 -0.290 32.463 1.00 25.79 H new ATOM 0 HB2 ALA B 121 36.416 0.006 32.177 1.00 25.79 H new ATOM 0 HB3 ALA B 121 36.826 -1.165 33.162 1.00 25.79 H new ATOM 2075 N SER B 122 37.851 -3.883 31.833 1.00 28.57 N ATOM 2076 CA SER B 122 38.835 -4.954 32.056 1.00 30.09 C ATOM 2077 C SER B 122 39.142 -5.790 30.820 1.00 30.51 C ATOM 2078 O SER B 122 40.022 -6.657 30.849 1.00 31.08 O ATOM 2079 CB SER B 122 38.383 -5.848 33.209 1.00 29.97 C ATOM 2080 OG SER B 122 38.172 -5.048 34.355 1.00 32.55 O ATOM 0 H SER B 122 37.040 -4.104 32.013 1.00 28.57 H new ATOM 0 HA SER B 122 39.668 -4.511 32.283 1.00 30.09 H new ATOM 0 HB2 SER B 122 37.567 -6.315 32.971 1.00 29.97 H new ATOM 0 HB3 SER B 122 39.054 -6.525 33.391 1.00 29.97 H new ATOM 0 HG SER B 122 37.922 -5.533 34.993 1.00 32.55 H new ATOM 2081 N ALA B 123 38.435 -5.524 29.721 1.00 30.75 N ATOM 2082 CA ALA B 123 38.637 -6.271 28.486 1.00 31.00 C ATOM 2083 C ALA B 123 39.946 -5.862 27.786 1.00 31.00 C ATOM 2084 O ALA B 123 40.391 -4.725 27.935 1.00 30.81 O ATOM 2085 CB ALA B 123 37.448 -6.060 27.552 1.00 31.10 C ATOM 0 H ALA B 123 37.832 -4.912 29.673 1.00 30.75 H new ATOM 0 HA ALA B 123 38.706 -7.212 28.711 1.00 31.00 H new ATOM 0 HB1 ALA B 123 37.588 -6.559 26.732 1.00 31.10 H new ATOM 0 HB2 ALA B 123 36.637 -6.370 27.985 1.00 31.10 H new ATOM 0 HB3 ALA B 123 37.362 -5.116 27.345 1.00 31.10 H new ATOM 2086 N PRO B 124 40.553 -6.783 27.019 1.00 31.68 N ATOM 2087 CA PRO B 124 41.744 -6.437 26.233 1.00 32.46 C ATOM 2088 C PRO B 124 41.445 -5.396 25.144 1.00 33.32 C ATOM 2089 O PRO B 124 40.275 -5.175 24.805 1.00 32.97 O ATOM 2090 CB PRO B 124 42.163 -7.777 25.612 1.00 32.99 C ATOM 2091 CG PRO B 124 40.966 -8.627 25.646 1.00 32.72 C ATOM 2092 CD PRO B 124 40.182 -8.200 26.862 1.00 31.69 C ATOM 0 HA PRO B 124 42.435 -6.031 26.779 1.00 32.46 H new ATOM 0 HB2 PRO B 124 42.478 -7.656 24.702 1.00 32.99 H new ATOM 0 HB3 PRO B 124 42.890 -8.180 26.112 1.00 32.99 H new ATOM 0 HG2 PRO B 124 40.440 -8.517 24.838 1.00 32.72 H new ATOM 0 HG3 PRO B 124 41.208 -9.565 25.702 1.00 32.72 H new ATOM 0 HD2 PRO B 124 39.227 -8.308 26.729 1.00 31.69 H new ATOM 0 HD3 PRO B 124 40.421 -8.722 27.644 1.00 31.69 H new ATOM 2093 N PRO B 125 42.490 -4.741 24.600 1.00 33.73 N ATOM 2094 CA PRO B 125 42.236 -3.733 23.560 1.00 33.83 C ATOM 2095 C PRO B 125 41.736 -4.334 22.240 1.00 33.85 C ATOM 2096 O PRO B 125 41.048 -3.658 21.480 1.00 34.18 O ATOM 2097 CB PRO B 125 43.600 -3.045 23.386 1.00 34.39 C ATOM 2098 CG PRO B 125 44.601 -4.032 23.896 1.00 34.25 C ATOM 2099 CD PRO B 125 43.923 -4.840 24.957 1.00 33.94 C ATOM 0 HA PRO B 125 41.526 -3.124 23.818 1.00 33.83 H new ATOM 0 HB2 PRO B 125 43.766 -2.825 22.456 1.00 34.39 H new ATOM 0 HB3 PRO B 125 43.640 -2.214 23.885 1.00 34.39 H new ATOM 0 HG2 PRO B 125 44.915 -4.604 23.178 1.00 34.25 H new ATOM 0 HG3 PRO B 125 45.378 -3.577 24.256 1.00 34.25 H new ATOM 0 HD2 PRO B 125 44.229 -5.760 24.956 1.00 33.94 H new ATOM 0 HD3 PRO B 125 44.096 -4.485 25.843 1.00 33.94 H new ATOM 2100 N GLU B 126 42.050 -5.599 21.990 1.00 33.77 N ATOM 2101 CA GLU B 126 41.720 -6.257 20.721 1.00 33.95 C ATOM 2102 C GLU B 126 40.396 -7.018 20.826 1.00 32.96 C ATOM 2103 O GLU B 126 39.764 -7.009 21.890 1.00 33.61 O ATOM 2104 CB GLU B 126 42.874 -7.186 20.287 1.00 34.59 C ATOM 2105 CG GLU B 126 43.139 -8.403 21.207 1.00 37.32 C ATOM 2106 CD GLU B 126 44.016 -8.106 22.443 1.00 40.76 C ATOM 2107 OE1 GLU B 126 44.666 -7.034 22.524 1.00 40.79 O ATOM 2108 OE2 GLU B 126 44.066 -8.982 23.339 1.00 43.25 O ATOM 0 H GLU B 126 42.462 -6.106 22.550 1.00 33.77 H new ATOM 0 HA GLU B 126 41.608 -5.577 20.039 1.00 33.95 H new ATOM 0 HB2 GLU B 126 42.686 -7.512 19.393 1.00 34.59 H new ATOM 0 HB3 GLU B 126 43.687 -6.660 20.232 1.00 34.59 H new ATOM 0 HG2 GLU B 126 42.287 -8.755 21.508 1.00 37.32 H new ATOM 0 HG3 GLU B 126 43.565 -9.100 20.684 1.00 37.32 H new ATOM 2109 N GLU B 127 39.973 -7.668 19.742 1.00 31.54 N ATOM 2110 CA GLU B 127 38.777 -8.521 19.779 1.00 30.62 C ATOM 2111 C GLU B 127 38.921 -9.654 20.796 1.00 30.15 C ATOM 2112 O GLU B 127 39.921 -10.372 20.798 1.00 29.49 O ATOM 2113 CB GLU B 127 38.423 -9.088 18.404 1.00 30.63 C ATOM 2114 CG GLU B 127 37.182 -9.981 18.423 1.00 31.32 C ATOM 2115 CD GLU B 127 36.781 -10.485 17.055 1.00 33.39 C ATOM 2116 OE1 GLU B 127 37.466 -10.150 16.068 1.00 35.24 O ATOM 2117 OE2 GLU B 127 35.761 -11.196 16.960 1.00 34.35 O ATOM 0 H GLU B 127 40.361 -7.631 18.976 1.00 31.54 H new ATOM 0 HA GLU B 127 38.047 -7.947 20.059 1.00 30.62 H new ATOM 0 HB2 GLU B 127 38.277 -8.355 17.786 1.00 30.63 H new ATOM 0 HB3 GLU B 127 39.176 -9.598 18.067 1.00 30.63 H new ATOM 0 HG2 GLU B 127 37.347 -10.740 19.004 1.00 31.32 H new ATOM 0 HG3 GLU B 127 36.442 -9.486 18.807 1.00 31.32 H new ATOM 2118 N ASP B 128 37.914 -9.808 21.654 1.00 29.17 N ATOM 2119 CA ASP B 128 37.931 -10.831 22.695 1.00 28.47 C ATOM 2120 C ASP B 128 36.664 -11.685 22.613 1.00 28.73 C ATOM 2121 O ASP B 128 35.555 -11.207 22.899 1.00 28.11 O ATOM 2122 CB ASP B 128 38.082 -10.174 24.077 1.00 28.57 C ATOM 2123 CG ASP B 128 38.136 -11.190 25.224 1.00 28.65 C ATOM 2124 OD1 ASP B 128 38.254 -12.411 24.962 1.00 29.46 O ATOM 2125 OD2 ASP B 128 38.057 -10.764 26.393 1.00 29.77 O ATOM 0 H ASP B 128 37.204 -9.323 21.648 1.00 29.17 H new ATOM 0 HA ASP B 128 38.692 -11.416 22.559 1.00 28.47 H new ATOM 0 HB2 ASP B 128 38.891 -9.639 24.088 1.00 28.57 H new ATOM 0 HB3 ASP B 128 37.339 -9.568 24.224 1.00 28.57 H new ATOM 2126 N CYS B 129 36.827 -12.938 22.208 1.00 28.43 N ATOM 2127 CA CYS B 129 35.700 -13.861 22.101 1.00 29.42 C ATOM 2128 C CYS B 129 35.635 -14.885 23.230 1.00 29.70 C ATOM 2129 O CYS B 129 34.959 -15.907 23.094 1.00 30.70 O ATOM 2130 CB CYS B 129 35.673 -14.556 20.742 1.00 29.07 C ATOM 2131 SG CYS B 129 35.294 -13.458 19.366 1.00 31.77 S ATOM 0 H CYS B 129 37.586 -13.277 21.989 1.00 28.43 H new ATOM 0 HA CYS B 129 34.907 -13.309 22.187 1.00 29.42 H new ATOM 0 HB2 CYS B 129 36.535 -14.972 20.584 1.00 29.07 H new ATOM 0 HB3 CYS B 129 35.015 -15.268 20.766 1.00 29.07 H new ATOM 2132 N THR B 130 36.319 -14.591 24.337 1.00 30.11 N ATOM 2133 CA THR B 130 36.235 -15.398 25.557 1.00 30.59 C ATOM 2134 C THR B 130 34.772 -15.604 25.931 1.00 29.62 C ATOM 2135 O THR B 130 33.955 -14.683 25.835 1.00 29.58 O ATOM 2136 CB THR B 130 36.981 -14.717 26.719 1.00 30.53 C ATOM 2137 OG1 THR B 130 38.374 -14.626 26.377 1.00 34.23 O ATOM 2138 CG2 THR B 130 36.838 -15.512 28.034 1.00 31.88 C ATOM 0 H THR B 130 36.847 -13.915 24.402 1.00 30.11 H new ATOM 0 HA THR B 130 36.654 -16.257 25.389 1.00 30.59 H new ATOM 0 HB THR B 130 36.595 -13.838 26.857 1.00 30.53 H new ATOM 0 HG1 THR B 130 38.501 -13.951 25.894 1.00 34.23 H new ATOM 0 HG21 THR B 130 37.319 -15.056 28.742 1.00 31.88 H new ATOM 0 HG22 THR B 130 35.900 -15.579 28.272 1.00 31.88 H new ATOM 0 HG23 THR B 130 37.205 -16.402 27.916 1.00 31.88 H new ATOM 2139 N SER B 131 34.443 -16.826 26.332 1.00 28.65 N ATOM 2140 CA SER B 131 33.100 -17.144 26.750 1.00 27.47 C ATOM 2141 C SER B 131 32.692 -16.332 27.987 1.00 26.45 C ATOM 2142 O SER B 131 33.445 -16.224 28.966 1.00 26.45 O ATOM 2143 CB SER B 131 33.007 -18.643 27.008 1.00 27.94 C ATOM 2144 OG SER B 131 31.667 -19.025 27.196 1.00 29.76 O ATOM 0 H SER B 131 34.993 -17.486 26.367 1.00 28.65 H new ATOM 0 HA SER B 131 32.478 -16.903 26.045 1.00 27.47 H new ATOM 0 HB2 SER B 131 33.387 -19.130 26.260 1.00 27.94 H new ATOM 0 HB3 SER B 131 33.529 -18.875 27.792 1.00 27.94 H new ATOM 0 HG SER B 131 31.634 -19.687 27.712 1.00 29.76 H new ATOM 2145 N VAL B 132 31.513 -15.713 27.914 1.00 24.50 N ATOM 2146 CA VAL B 132 30.931 -15.035 29.060 1.00 23.62 C ATOM 2147 C VAL B 132 30.008 -16.058 29.725 1.00 22.11 C ATOM 2148 O VAL B 132 29.062 -16.554 29.101 1.00 22.95 O ATOM 2149 CB VAL B 132 30.181 -13.735 28.628 1.00 23.08 C ATOM 2150 CG1 VAL B 132 29.413 -13.122 29.794 1.00 23.44 C ATOM 2151 CG2 VAL B 132 31.175 -12.735 28.023 1.00 24.21 C ATOM 0 H VAL B 132 31.034 -15.677 27.201 1.00 24.50 H new ATOM 0 HA VAL B 132 31.609 -14.735 29.686 1.00 23.62 H new ATOM 0 HB VAL B 132 29.527 -13.967 27.950 1.00 23.08 H new ATOM 0 HG11 VAL B 132 28.959 -12.318 29.496 1.00 23.44 H new ATOM 0 HG12 VAL B 132 28.760 -13.759 30.122 1.00 23.44 H new ATOM 0 HG13 VAL B 132 30.031 -12.898 30.507 1.00 23.44 H new ATOM 0 HG21 VAL B 132 30.703 -11.930 27.757 1.00 24.21 H new ATOM 0 HG22 VAL B 132 31.850 -12.510 28.682 1.00 24.21 H new ATOM 0 HG23 VAL B 132 31.601 -13.131 27.247 1.00 24.21 H new ATOM 2152 N THR B 133 30.301 -16.393 30.983 1.00 21.75 N ATOM 2153 CA THR B 133 29.644 -17.532 31.634 1.00 20.85 C ATOM 2154 C THR B 133 28.487 -17.200 32.565 1.00 20.13 C ATOM 2155 O THR B 133 27.772 -18.103 32.994 1.00 19.90 O ATOM 2156 CB THR B 133 30.655 -18.369 32.448 1.00 21.16 C ATOM 2157 OG1 THR B 133 31.159 -17.575 33.515 1.00 23.10 O ATOM 2158 CG2 THR B 133 31.808 -18.805 31.570 1.00 22.84 C ATOM 0 H THR B 133 30.872 -15.978 31.474 1.00 21.75 H new ATOM 0 HA THR B 133 29.274 -18.021 30.882 1.00 20.85 H new ATOM 0 HB THR B 133 30.207 -19.157 32.794 1.00 21.16 H new ATOM 0 HG1 THR B 133 31.883 -17.219 33.282 1.00 23.10 H new ATOM 0 HG21 THR B 133 32.434 -19.329 32.094 1.00 22.84 H new ATOM 0 HG22 THR B 133 31.471 -19.343 30.837 1.00 22.84 H new ATOM 0 HG23 THR B 133 32.259 -18.023 31.216 1.00 22.84 H new ATOM 2159 N ASP B 134 28.327 -15.919 32.888 1.00 19.50 N ATOM 2160 CA ASP B 134 27.256 -15.459 33.761 1.00 19.85 C ATOM 2161 C ASP B 134 27.134 -13.932 33.653 1.00 20.16 C ATOM 2162 O ASP B 134 27.942 -13.293 32.999 1.00 19.88 O ATOM 2163 CB ASP B 134 27.497 -15.901 35.220 1.00 20.25 C ATOM 2164 CG ASP B 134 28.633 -15.144 35.895 1.00 23.21 C ATOM 2165 OD1 ASP B 134 29.439 -14.462 35.217 1.00 28.34 O ATOM 2166 OD2 ASP B 134 28.696 -15.205 37.138 1.00 29.23 O ATOM 0 H ASP B 134 28.841 -15.290 32.604 1.00 19.50 H new ATOM 0 HA ASP B 134 26.421 -15.862 33.478 1.00 19.85 H new ATOM 0 HB2 ASP B 134 26.682 -15.772 35.730 1.00 20.25 H new ATOM 0 HB3 ASP B 134 27.694 -16.851 35.236 1.00 20.25 H new ATOM 2167 N LEU B 135 26.062 -13.394 34.217 1.00 19.68 N ATOM 2168 CA LEU B 135 25.976 -11.991 34.557 1.00 20.59 C ATOM 2169 C LEU B 135 26.629 -11.880 35.914 1.00 20.52 C ATOM 2170 O LEU B 135 26.022 -12.244 36.922 1.00 20.32 O ATOM 2171 CB LEU B 135 24.509 -11.606 34.677 1.00 20.94 C ATOM 2172 CG LEU B 135 23.916 -10.542 33.770 1.00 24.21 C ATOM 2173 CD1 LEU B 135 24.072 -10.969 32.349 1.00 28.69 C ATOM 2174 CD2 LEU B 135 22.468 -10.340 34.105 1.00 20.45 C ATOM 0 H LEU B 135 25.356 -13.843 34.414 1.00 19.68 H new ATOM 0 HA LEU B 135 26.396 -11.418 33.896 1.00 20.59 H new ATOM 0 HB2 LEU B 135 23.989 -12.415 34.548 1.00 20.94 H new ATOM 0 HB3 LEU B 135 24.362 -11.317 35.591 1.00 20.94 H new ATOM 0 HG LEU B 135 24.381 -9.700 33.900 1.00 24.21 H new ATOM 0 HD11 LEU B 135 23.695 -10.293 31.765 1.00 28.69 H new ATOM 0 HD12 LEU B 135 25.014 -11.082 32.146 1.00 28.69 H new ATOM 0 HD13 LEU B 135 23.609 -11.810 32.211 1.00 28.69 H new ATOM 0 HD21 LEU B 135 22.093 -9.660 33.524 1.00 20.45 H new ATOM 0 HD22 LEU B 135 21.987 -11.173 33.979 1.00 20.45 H new ATOM 0 HD23 LEU B 135 22.386 -10.056 35.029 1.00 20.45 H new ATOM 2175 N PRO B 136 27.877 -11.383 35.954 1.00 21.12 N ATOM 2176 CA PRO B 136 28.699 -11.408 37.162 1.00 21.50 C ATOM 2177 C PRO B 136 28.174 -10.545 38.295 1.00 21.24 C ATOM 2178 O PRO B 136 28.442 -10.826 39.462 1.00 22.52 O ATOM 2179 CB PRO B 136 30.052 -10.874 36.673 1.00 21.26 C ATOM 2180 CG PRO B 136 29.732 -10.102 35.429 1.00 21.70 C ATOM 2181 CD PRO B 136 28.607 -10.827 34.802 1.00 21.73 C ATOM 0 HA PRO B 136 28.724 -12.300 37.543 1.00 21.50 H new ATOM 0 HB2 PRO B 136 30.469 -10.308 37.341 1.00 21.26 H new ATOM 0 HB3 PRO B 136 30.670 -11.598 36.489 1.00 21.26 H new ATOM 0 HG2 PRO B 136 29.486 -9.187 35.638 1.00 21.70 H new ATOM 0 HG3 PRO B 136 30.498 -10.062 34.835 1.00 21.70 H new ATOM 0 HD2 PRO B 136 28.048 -10.234 34.276 1.00 21.73 H new ATOM 0 HD3 PRO B 136 28.919 -11.525 34.205 1.00 21.73 H new ATOM 2182 N ASN B 137 27.410 -9.502 37.958 1.00 19.32 N ATOM 2183 CA ASN B 137 26.957 -8.541 38.943 1.00 18.99 C ATOM 2184 C ASN B 137 25.420 -8.436 38.948 1.00 17.82 C ATOM 2185 O ASN B 137 24.854 -7.415 39.289 1.00 19.23 O ATOM 2186 CB ASN B 137 27.642 -7.197 38.676 1.00 18.92 C ATOM 2187 CG ASN B 137 27.535 -6.246 39.831 1.00 21.58 C ATOM 2188 OD1 ASN B 137 27.572 -6.658 41.002 1.00 22.35 O ATOM 2189 ND2 ASN B 137 27.395 -4.947 39.527 1.00 21.66 N ATOM 0 H ASN B 137 27.146 -9.340 37.156 1.00 19.32 H new ATOM 0 HA ASN B 137 27.206 -8.836 39.833 1.00 18.99 H new ATOM 0 HB2 ASN B 137 28.579 -7.351 38.476 1.00 18.92 H new ATOM 0 HB3 ASN B 137 27.247 -6.789 37.890 1.00 18.92 H new ATOM 0 HD21 ASN B 137 27.327 -4.363 40.155 1.00 21.66 H new ATOM 0 HD22 ASN B 137 27.373 -4.698 38.704 1.00 21.66 H new ATOM 2190 N ALA B 138 24.753 -9.528 38.616 1.00 17.14 N ATOM 2191 CA ALA B 138 23.315 -9.620 38.875 1.00 16.93 C ATOM 2192 C ALA B 138 23.065 -9.682 40.391 1.00 16.84 C ATOM 2193 O ALA B 138 24.008 -9.807 41.205 1.00 19.03 O ATOM 2194 CB ALA B 138 22.738 -10.845 38.184 1.00 16.88 C ATOM 0 H ALA B 138 25.102 -10.221 38.245 1.00 17.14 H new ATOM 0 HA ALA B 138 22.873 -8.833 38.519 1.00 16.93 H new ATOM 0 HB1 ALA B 138 21.786 -10.898 38.361 1.00 16.88 H new ATOM 0 HB2 ALA B 138 22.886 -10.777 37.228 1.00 16.88 H new ATOM 0 HB3 ALA B 138 23.174 -11.643 38.522 1.00 16.88 H new ATOM 2195 N PHE B 139 21.813 -9.573 40.786 1.00 14.78 N ATOM 2196 CA PHE B 139 21.459 -9.679 42.184 1.00 14.46 C ATOM 2197 C PHE B 139 20.336 -10.703 42.379 1.00 13.84 C ATOM 2198 O PHE B 139 19.960 -11.445 41.436 1.00 13.59 O ATOM 2199 CB PHE B 139 21.208 -8.285 42.782 1.00 14.04 C ATOM 2200 CG PHE B 139 20.282 -7.401 41.961 1.00 14.95 C ATOM 2201 CD1 PHE B 139 18.913 -7.596 42.013 1.00 15.65 C ATOM 2202 CD2 PHE B 139 20.797 -6.367 41.162 1.00 14.12 C ATOM 2203 CE1 PHE B 139 18.037 -6.794 41.266 1.00 14.39 C ATOM 2204 CE2 PHE B 139 19.915 -5.542 40.403 1.00 13.33 C ATOM 2205 CZ PHE B 139 18.562 -5.760 40.459 1.00 13.31 C ATOM 0 H PHE B 139 21.149 -9.437 40.257 1.00 14.78 H new ATOM 0 HA PHE B 139 22.201 -10.034 42.698 1.00 14.46 H new ATOM 0 HB2 PHE B 139 20.832 -8.390 43.670 1.00 14.04 H new ATOM 0 HB3 PHE B 139 22.060 -7.833 42.886 1.00 14.04 H new ATOM 0 HD1 PHE B 139 18.568 -8.270 42.552 1.00 15.65 H new ATOM 0 HD2 PHE B 139 21.715 -6.220 41.128 1.00 14.12 H new ATOM 0 HE1 PHE B 139 17.119 -6.942 41.302 1.00 14.39 H new ATOM 0 HE2 PHE B 139 20.256 -4.859 39.872 1.00 13.33 H new ATOM 0 HZ PHE B 139 17.987 -5.224 39.963 1.00 13.31 H new ATOM 2206 N ASP B 140 19.826 -10.837 43.597 1.00 14.33 N ATOM 2207 CA ASP B 140 18.884 -11.922 43.914 1.00 14.96 C ATOM 2208 C ASP B 140 17.582 -11.720 43.159 1.00 15.03 C ATOM 2209 O ASP B 140 17.154 -10.579 42.944 1.00 15.59 O ATOM 2210 CB ASP B 140 18.541 -11.917 45.414 1.00 15.45 C ATOM 2211 CG ASP B 140 19.718 -12.293 46.303 1.00 18.72 C ATOM 2212 OD1 ASP B 140 20.681 -12.928 45.824 1.00 19.76 O ATOM 2213 OD2 ASP B 140 19.682 -11.939 47.505 1.00 18.77 O ATOM 0 H ASP B 140 20.007 -10.316 44.257 1.00 14.33 H new ATOM 0 HA ASP B 140 19.306 -12.759 43.663 1.00 14.96 H new ATOM 0 HB2 ASP B 140 18.224 -11.035 45.664 1.00 15.45 H new ATOM 0 HB3 ASP B 140 17.812 -12.536 45.575 1.00 15.45 H new ATOM 2214 N GLY B 141 16.947 -12.825 42.788 1.00 14.52 N ATOM 2215 CA GLY B 141 15.659 -12.766 42.121 1.00 14.87 C ATOM 2216 C GLY B 141 15.284 -14.081 41.510 1.00 15.80 C ATOM 2217 O GLY B 141 16.091 -15.040 41.508 1.00 15.45 O ATOM 0 H GLY B 141 17.248 -13.620 42.915 1.00 14.52 H new ATOM 0 HA2 GLY B 141 14.978 -12.500 42.758 1.00 14.87 H new ATOM 0 HA3 GLY B 141 15.684 -12.085 41.431 1.00 14.87 H new ATOM 2218 N PRO B 142 14.054 -14.141 40.971 1.00 15.87 N ATOM 2219 CA PRO B 142 13.420 -15.391 40.513 1.00 16.72 C ATOM 2220 C PRO B 142 13.513 -15.646 39.000 1.00 16.64 C ATOM 2221 O PRO B 142 12.986 -16.668 38.517 1.00 19.03 O ATOM 2222 CB PRO B 142 11.956 -15.168 40.904 1.00 16.93 C ATOM 2223 CG PRO B 142 11.750 -13.692 40.667 1.00 16.83 C ATOM 2224 CD PRO B 142 13.090 -13.021 41.029 1.00 16.95 C ATOM 0 HA PRO B 142 13.855 -16.165 40.904 1.00 16.72 H new ATOM 0 HB2 PRO B 142 11.356 -15.704 40.362 1.00 16.93 H new ATOM 0 HB3 PRO B 142 11.793 -15.407 41.830 1.00 16.93 H new ATOM 0 HG2 PRO B 142 11.511 -13.517 39.743 1.00 16.83 H new ATOM 0 HG3 PRO B 142 11.028 -13.348 41.216 1.00 16.83 H new ATOM 0 HD2 PRO B 142 13.320 -12.318 40.402 1.00 16.95 H new ATOM 0 HD3 PRO B 142 13.062 -12.617 41.911 1.00 16.95 H new ATOM 2225 N ILE B 143 14.169 -14.745 38.268 1.00 15.31 N ATOM 2226 CA ILE B 143 14.205 -14.823 36.801 1.00 14.74 C ATOM 2227 C ILE B 143 15.286 -15.763 36.290 1.00 13.60 C ATOM 2228 O ILE B 143 16.442 -15.691 36.696 1.00 14.55 O ATOM 2229 CB ILE B 143 14.478 -13.428 36.186 1.00 14.13 C ATOM 2230 CG1 ILE B 143 13.529 -12.371 36.760 1.00 17.47 C ATOM 2231 CG2 ILE B 143 14.363 -13.475 34.639 1.00 15.58 C ATOM 2232 CD1 ILE B 143 12.052 -12.691 36.599 1.00 17.37 C ATOM 0 H ILE B 143 14.601 -14.079 38.599 1.00 15.31 H new ATOM 0 HA ILE B 143 13.336 -15.161 36.534 1.00 14.74 H new ATOM 0 HB ILE B 143 15.385 -13.177 36.421 1.00 14.13 H new ATOM 0 HG12 ILE B 143 13.722 -12.259 37.704 1.00 17.47 H new ATOM 0 HG13 ILE B 143 13.712 -11.521 36.330 1.00 17.47 H new ATOM 0 HG21 ILE B 143 14.537 -12.593 34.274 1.00 15.58 H new ATOM 0 HG22 ILE B 143 15.011 -14.104 34.285 1.00 15.58 H new ATOM 0 HG23 ILE B 143 13.469 -13.757 34.389 1.00 15.58 H new ATOM 0 HD11 ILE B 143 11.522 -11.977 36.986 1.00 17.37 H new ATOM 0 HD12 ILE B 143 11.840 -12.776 35.656 1.00 17.37 H new ATOM 0 HD13 ILE B 143 11.850 -13.525 37.052 1.00 17.37 H new ATOM 2233 N THR B 144 14.911 -16.633 35.353 1.00 13.69 N ATOM 2234 CA THR B 144 15.902 -17.438 34.678 1.00 13.79 C ATOM 2235 C THR B 144 16.545 -16.555 33.624 1.00 13.79 C ATOM 2236 O THR B 144 15.846 -16.055 32.734 1.00 14.37 O ATOM 2237 CB THR B 144 15.223 -18.664 34.051 1.00 13.73 C ATOM 2238 OG1 THR B 144 14.746 -19.508 35.113 1.00 17.35 O ATOM 2239 CG2 THR B 144 16.164 -19.413 33.164 1.00 16.23 C ATOM 0 H THR B 144 14.099 -16.765 35.102 1.00 13.69 H new ATOM 0 HA THR B 144 16.580 -17.766 35.289 1.00 13.79 H new ATOM 0 HB THR B 144 14.482 -18.374 33.497 1.00 13.73 H new ATOM 0 HG1 THR B 144 14.370 -20.184 34.786 1.00 17.35 H new ATOM 0 HG21 THR B 144 15.709 -20.180 32.783 1.00 16.23 H new ATOM 0 HG22 THR B 144 16.469 -18.831 32.450 1.00 16.23 H new ATOM 0 HG23 THR B 144 16.926 -19.715 33.682 1.00 16.23 H new ATOM 2240 N ILE B 145 17.843 -16.325 33.754 1.00 13.19 N ATOM 2241 CA ILE B 145 18.601 -15.435 32.866 1.00 13.65 C ATOM 2242 C ILE B 145 19.586 -16.294 32.110 1.00 14.52 C ATOM 2243 O ILE B 145 20.488 -16.924 32.718 1.00 14.36 O ATOM 2244 CB ILE B 145 19.342 -14.303 33.643 1.00 14.04 C ATOM 2245 CG1 ILE B 145 18.360 -13.474 34.471 1.00 14.72 C ATOM 2246 CG2 ILE B 145 20.190 -13.428 32.673 1.00 14.72 C ATOM 2247 CD1 ILE B 145 19.016 -12.614 35.593 1.00 15.76 C ATOM 0 H ILE B 145 18.323 -16.685 34.370 1.00 13.19 H new ATOM 0 HA ILE B 145 17.989 -14.985 32.263 1.00 13.65 H new ATOM 0 HB ILE B 145 19.961 -14.712 34.268 1.00 14.04 H new ATOM 0 HG12 ILE B 145 17.870 -12.886 33.875 1.00 14.72 H new ATOM 0 HG13 ILE B 145 17.712 -14.072 34.876 1.00 14.72 H new ATOM 0 HG21 ILE B 145 20.641 -12.732 33.176 1.00 14.72 H new ATOM 0 HG22 ILE B 145 20.849 -13.984 32.228 1.00 14.72 H new ATOM 0 HG23 ILE B 145 19.609 -13.023 32.011 1.00 14.72 H new ATOM 0 HD11 ILE B 145 18.328 -12.122 36.068 1.00 15.76 H new ATOM 0 HD12 ILE B 145 19.485 -13.194 36.213 1.00 15.76 H new ATOM 0 HD13 ILE B 145 19.644 -11.990 35.197 1.00 15.76 H new ATOM 2248 N THR B 146 19.441 -16.351 30.793 1.00 14.73 N ATOM 2249 CA THR B 146 20.370 -17.154 30.012 1.00 15.84 C ATOM 2250 C THR B 146 21.311 -16.262 29.226 1.00 16.71 C ATOM 2251 O THR B 146 20.951 -15.142 28.867 1.00 16.26 O ATOM 2252 CB THR B 146 19.649 -18.148 29.047 1.00 16.26 C ATOM 2253 OG1 THR B 146 19.069 -17.423 27.951 1.00 19.83 O ATOM 2254 CG2 THR B 146 18.558 -18.962 29.747 1.00 16.25 C ATOM 0 H THR B 146 18.831 -15.946 30.343 1.00 14.73 H new ATOM 0 HA THR B 146 20.876 -17.686 30.645 1.00 15.84 H new ATOM 0 HB THR B 146 20.319 -18.772 28.727 1.00 16.26 H new ATOM 0 HG1 THR B 146 18.232 -17.491 27.981 1.00 19.83 H new ATOM 0 HG21 THR B 146 18.142 -19.562 29.109 1.00 16.25 H new ATOM 0 HG22 THR B 146 18.952 -19.479 30.467 1.00 16.25 H new ATOM 0 HG23 THR B 146 17.888 -18.361 30.110 1.00 16.25 H new ATOM 2255 N ILE B 147 22.528 -16.747 28.988 1.00 16.33 N ATOM 2256 CA ILE B 147 23.479 -16.049 28.151 1.00 17.36 C ATOM 2257 C ILE B 147 23.885 -16.936 26.994 1.00 18.67 C ATOM 2258 O ILE B 147 24.260 -18.089 27.206 1.00 19.30 O ATOM 2259 CB ILE B 147 24.717 -15.635 28.923 1.00 18.47 C ATOM 2260 CG1 ILE B 147 24.301 -14.640 29.999 1.00 19.85 C ATOM 2261 CG2 ILE B 147 25.796 -15.056 27.984 1.00 19.32 C ATOM 2262 CD1 ILE B 147 25.366 -14.380 30.949 1.00 24.22 C ATOM 0 H ILE B 147 22.819 -17.490 29.310 1.00 16.33 H new ATOM 0 HA ILE B 147 23.047 -15.244 27.824 1.00 17.36 H new ATOM 0 HB ILE B 147 25.118 -16.411 29.345 1.00 18.47 H new ATOM 0 HG12 ILE B 147 24.033 -13.807 29.580 1.00 19.85 H new ATOM 0 HG13 ILE B 147 23.526 -14.982 30.471 1.00 19.85 H new ATOM 0 HG21 ILE B 147 26.574 -14.800 28.504 1.00 19.32 H new ATOM 0 HG22 ILE B 147 26.050 -15.726 27.331 1.00 19.32 H new ATOM 0 HG23 ILE B 147 25.443 -14.277 27.527 1.00 19.32 H new ATOM 0 HD11 ILE B 147 25.059 -13.744 31.614 1.00 24.22 H new ATOM 0 HD12 ILE B 147 25.618 -15.208 31.387 1.00 24.22 H new ATOM 0 HD13 ILE B 147 26.134 -14.014 30.483 1.00 24.22 H new ATOM 2263 N VAL B 148 23.774 -16.401 25.781 1.00 18.94 N ATOM 2264 CA VAL B 148 24.240 -17.084 24.583 1.00 20.17 C ATOM 2265 C VAL B 148 25.378 -16.281 23.979 1.00 20.84 C ATOM 2266 O VAL B 148 25.225 -15.102 23.625 1.00 20.09 O ATOM 2267 CB VAL B 148 23.126 -17.203 23.543 1.00 21.25 C ATOM 2268 CG1 VAL B 148 23.589 -18.094 22.383 1.00 23.15 C ATOM 2269 CG2 VAL B 148 21.808 -17.709 24.202 1.00 24.06 C ATOM 0 H VAL B 148 23.425 -15.629 25.632 1.00 18.94 H new ATOM 0 HA VAL B 148 24.530 -17.976 24.830 1.00 20.17 H new ATOM 0 HB VAL B 148 22.931 -16.327 23.175 1.00 21.25 H new ATOM 0 HG11 VAL B 148 22.879 -18.166 21.726 1.00 23.15 H new ATOM 0 HG12 VAL B 148 24.374 -17.703 21.968 1.00 23.15 H new ATOM 0 HG13 VAL B 148 23.808 -18.977 22.720 1.00 23.15 H new ATOM 0 HG21 VAL B 148 21.114 -17.778 23.527 1.00 24.06 H new ATOM 0 HG22 VAL B 148 21.959 -18.581 24.600 1.00 24.06 H new ATOM 0 HG23 VAL B 148 21.529 -17.084 24.889 1.00 24.06 H new ATOM 2270 N ASN B 149 26.532 -16.923 23.865 1.00 21.73 N ATOM 2271 CA ASN B 149 27.686 -16.340 23.196 1.00 23.89 C ATOM 2272 C ASN B 149 27.636 -16.745 21.729 1.00 25.29 C ATOM 2273 O ASN B 149 26.964 -17.718 21.370 1.00 26.02 O ATOM 2274 CB ASN B 149 28.994 -16.864 23.804 1.00 23.82 C ATOM 2275 CG ASN B 149 29.168 -16.479 25.259 1.00 22.76 C ATOM 2276 OD1 ASN B 149 29.844 -15.498 25.577 1.00 22.93 O ATOM 2277 ND2 ASN B 149 28.550 -17.249 26.156 1.00 23.00 N ATOM 0 H ASN B 149 26.669 -17.713 24.175 1.00 21.73 H new ATOM 0 HA ASN B 149 27.660 -15.376 23.299 1.00 23.89 H new ATOM 0 HB2 ASN B 149 29.017 -17.831 23.726 1.00 23.82 H new ATOM 0 HB3 ASN B 149 29.743 -16.520 23.292 1.00 23.82 H new ATOM 0 HD21 ASN B 149 28.615 -17.069 26.994 1.00 23.00 H new ATOM 0 HD22 ASN B 149 28.087 -17.925 25.896 1.00 23.00 H new ATOM 2278 N AARG B 150 28.349 -16.006 20.885 0.50 26.34 N ATOM 2279 N BARG B 150 28.398 -16.034 20.904 0.50 26.15 N ATOM 2280 CA AARG B 150 28.364 -16.293 19.449 0.50 27.74 C ATOM 2281 CA BARG B 150 28.404 -16.246 19.455 0.50 27.43 C ATOM 2282 C AARG B 150 28.795 -17.728 19.154 0.50 28.40 C ATOM 2283 C BARG B 150 28.958 -17.619 19.039 0.50 28.28 C ATOM 2284 O AARG B 150 28.198 -18.391 18.300 0.50 28.50 O ATOM 2285 O BARG B 150 28.612 -18.130 17.973 0.50 28.75 O ATOM 2286 CB AARG B 150 29.261 -15.308 18.706 0.50 27.94 C ATOM 2287 CB BARG B 150 29.185 -15.120 18.779 0.50 27.38 C ATOM 2288 CG AARG B 150 28.611 -13.965 18.446 0.50 28.58 C ATOM 2289 CG BARG B 150 28.523 -14.554 17.541 0.50 26.90 C ATOM 2290 CD AARG B 150 27.333 -14.125 17.618 0.50 31.21 C ATOM 2291 CD BARG B 150 27.030 -14.342 17.780 0.50 26.99 C ATOM 2292 NE AARG B 150 27.590 -14.611 16.262 0.50 31.51 N ATOM 2293 NE BARG B 150 26.518 -13.203 17.024 0.50 24.73 N ATOM 2294 CZ AARG B 150 27.515 -13.854 15.172 0.50 31.31 C ATOM 2295 CZ BARG B 150 25.825 -12.199 17.551 0.50 23.42 C ATOM 2296 NH1AARG B 150 27.180 -12.577 15.276 0.50 30.61 N ATOM 2297 NH1BARG B 150 25.537 -12.183 18.851 0.50 19.92 N ATOM 2298 NH2AARG B 150 27.761 -14.373 13.977 0.50 31.42 N ATOM 2299 NH2BARG B 150 25.406 -11.215 16.765 0.50 22.40 N ATOM 0 H AARG B 150 28.831 -15.334 21.121 0.50 26.15 H new ATOM 0 H BARG B 150 28.929 -15.411 21.168 0.50 26.15 H new ATOM 0 HA AARG B 150 27.453 -16.189 19.131 0.50 27.43 H new ATOM 0 HA BARG B 150 27.480 -16.234 19.160 0.50 27.43 H new ATOM 0 HB2AARG B 150 30.072 -15.171 19.220 0.50 27.38 H new ATOM 0 HB2BARG B 150 29.316 -14.403 19.419 0.50 27.38 H new ATOM 0 HB3AARG B 150 29.525 -15.700 17.859 0.50 27.38 H new ATOM 0 HB3BARG B 150 30.065 -15.450 18.539 0.50 27.38 H new ATOM 0 HG2AARG B 150 28.402 -13.534 19.290 0.50 26.90 H new ATOM 0 HG2BARG B 150 28.940 -13.712 17.301 0.50 26.90 H new ATOM 0 HG3AARG B 150 29.233 -13.386 17.978 0.50 26.90 H new ATOM 0 HG3BARG B 150 28.654 -15.158 16.793 0.50 26.90 H new ATOM 0 HD2AARG B 150 26.736 -14.741 18.070 0.50 26.99 H new ATOM 0 HD2BARG B 150 26.545 -15.143 17.527 0.50 26.99 H new ATOM 0 HD3AARG B 150 26.876 -13.271 17.569 0.50 26.99 H new ATOM 0 HD3BARG B 150 26.870 -14.201 18.726 0.50 26.99 H new ATOM 0 HE AARG B 150 27.803 -15.438 16.164 0.50 24.73 H new ATOM 0 HE BARG B 150 26.676 -13.180 16.179 0.50 24.73 H new ATOM 0 HH11AARG B 150 27.011 -12.238 16.048 0.50 19.92 H new ATOM 0 HH11BARG B 150 25.800 -12.826 19.358 0.50 19.92 H new ATOM 0 HH12AARG B 150 27.131 -12.086 14.571 0.50 19.92 H new ATOM 0 HH12BARG B 150 25.088 -11.529 19.184 0.50 19.92 H new ATOM 0 HH21AARG B 150 27.970 -15.204 13.904 0.50 22.40 H new ATOM 0 HH21BARG B 150 25.584 -11.231 15.924 0.50 22.40 H new ATOM 0 HH22AARG B 150 27.711 -13.879 13.275 0.50 22.40 H new ATOM 0 HH22BARG B 150 24.957 -10.561 17.097 0.50 22.40 H new ATOM 2300 N ASP B 151 29.798 -18.215 19.889 1.00 29.09 N ATOM 2301 CA ASP B 151 30.339 -19.572 19.649 1.00 30.33 C ATOM 2302 C ASP B 151 29.332 -20.688 19.970 1.00 30.45 C ATOM 2303 O ASP B 151 29.552 -21.865 19.638 1.00 31.49 O ATOM 2304 CB ASP B 151 31.692 -19.797 20.355 1.00 30.60 C ATOM 2305 CG ASP B 151 31.610 -19.693 21.876 1.00 32.87 C ATOM 2306 OD1 ASP B 151 30.505 -19.528 22.436 1.00 32.30 O ATOM 2307 OD2 ASP B 151 32.677 -19.790 22.523 1.00 34.67 O ATOM 0 H AASP B 151 30.181 -17.785 20.528 0.50 29.09 H new ATOM 0 H BASP B 151 30.073 -17.852 20.619 0.50 29.09 H new ATOM 0 HA ASP B 151 30.504 -19.623 18.695 1.00 30.33 H new ATOM 0 HB2 ASP B 151 32.032 -20.674 20.116 1.00 30.60 H new ATOM 0 HB3 ASP B 151 32.332 -19.146 20.027 1.00 30.60 H new ATOM 2308 N GLY B 152 28.228 -20.302 20.606 1.00 29.97 N ATOM 2309 CA GLY B 152 27.133 -21.209 20.903 1.00 29.27 C ATOM 2310 C GLY B 152 27.170 -21.645 22.347 1.00 28.80 C ATOM 2311 O GLY B 152 26.295 -22.371 22.786 1.00 28.40 O ATOM 0 H GLY B 152 28.096 -19.497 20.878 1.00 29.97 H new ATOM 0 HA2 GLY B 152 26.287 -20.773 20.715 1.00 29.27 H new ATOM 0 HA3 GLY B 152 27.186 -21.986 20.325 1.00 29.27 H new ATOM 2312 N THR B 153 28.181 -21.201 23.086 1.00 28.76 N ATOM 2313 CA THR B 153 28.220 -21.512 24.513 1.00 29.46 C ATOM 2314 C THR B 153 27.101 -20.802 25.283 1.00 28.55 C ATOM 2315 O THR B 153 26.879 -19.594 25.118 1.00 28.55 O ATOM 2316 CB THR B 153 29.606 -21.321 25.160 1.00 30.01 C ATOM 2317 OG1 THR B 153 29.586 -21.891 26.474 1.00 34.20 O ATOM 2318 CG2 THR B 153 30.014 -19.865 25.233 1.00 30.16 C ATOM 0 H THR B 153 28.838 -20.731 22.792 1.00 28.76 H new ATOM 0 HA THR B 153 28.050 -22.465 24.578 1.00 29.46 H new ATOM 0 HB THR B 153 30.262 -21.769 24.604 1.00 30.01 H new ATOM 0 HG1 THR B 153 29.269 -21.334 27.017 1.00 34.20 H new ATOM 0 HG21 THR B 153 30.889 -19.794 25.646 1.00 30.16 H new ATOM 0 HG22 THR B 153 30.048 -19.493 24.338 1.00 30.16 H new ATOM 0 HG23 THR B 153 29.367 -19.373 25.762 1.00 30.16 H new ATOM 2319 N ARG B 154 26.409 -21.584 26.104 1.00 27.10 N ATOM 2320 CA ARG B 154 25.131 -21.207 26.703 1.00 26.02 C ATOM 2321 C ARG B 154 25.121 -21.462 28.201 1.00 24.19 C ATOM 2322 O ARG B 154 25.437 -22.572 28.667 1.00 23.92 O ATOM 2323 CB ARG B 154 24.025 -22.033 26.069 1.00 26.95 C ATOM 2324 CG ARG B 154 23.981 -21.881 24.600 1.00 31.22 C ATOM 2325 CD ARG B 154 22.798 -21.051 24.228 1.00 38.38 C ATOM 2326 NE ARG B 154 21.636 -21.899 24.002 1.00 41.84 N ATOM 2327 CZ ARG B 154 21.198 -22.262 22.799 1.00 42.66 C ATOM 2328 NH1 ARG B 154 20.130 -23.047 22.706 1.00 43.03 N ATOM 2329 NH2 ARG B 154 21.821 -21.842 21.696 1.00 41.63 N ATOM 0 H ARG B 154 26.675 -22.369 26.335 1.00 27.10 H new ATOM 0 HA ARG B 154 24.994 -20.259 26.548 1.00 26.02 H new ATOM 0 HB2 ARG B 154 24.155 -22.968 26.291 1.00 26.95 H new ATOM 0 HB3 ARG B 154 23.171 -21.768 26.445 1.00 26.95 H new ATOM 0 HG2 ARG B 154 24.796 -21.462 24.283 1.00 31.22 H new ATOM 0 HG3 ARG B 154 23.926 -22.751 24.175 1.00 31.22 H new ATOM 0 HD2 ARG B 154 22.608 -20.413 24.933 1.00 38.38 H new ATOM 0 HD3 ARG B 154 22.993 -20.539 23.428 1.00 38.38 H new ATOM 0 HE ARG B 154 21.205 -22.183 24.690 1.00 41.84 H new ATOM 0 HH11 ARG B 154 19.730 -23.315 23.419 1.00 43.03 H new ATOM 0 HH12 ARG B 154 19.839 -23.287 21.933 1.00 43.03 H new ATOM 0 HH21 ARG B 154 22.511 -21.333 21.759 1.00 41.63 H new ATOM 0 HH22 ARG B 154 21.532 -22.081 20.922 1.00 41.63 H new ATOM 2330 N TYR B 155 24.737 -20.440 28.953 1.00 20.76 N ATOM 2331 CA TYR B 155 24.754 -20.522 30.401 1.00 18.90 C ATOM 2332 C TYR B 155 23.436 -20.023 30.961 1.00 17.96 C ATOM 2333 O TYR B 155 22.713 -19.262 30.302 1.00 17.71 O ATOM 2334 CB TYR B 155 25.908 -19.691 30.961 1.00 18.94 C ATOM 2335 CG TYR B 155 27.244 -20.100 30.407 1.00 20.63 C ATOM 2336 CD1 TYR B 155 27.996 -21.085 31.038 1.00 21.36 C ATOM 2337 CD2 TYR B 155 27.752 -19.519 29.244 1.00 21.81 C ATOM 2338 CE1 TYR B 155 29.229 -21.471 30.530 1.00 24.34 C ATOM 2339 CE2 TYR B 155 28.969 -19.889 28.737 1.00 25.27 C ATOM 2340 CZ TYR B 155 29.708 -20.865 29.382 1.00 25.67 C ATOM 2341 OH TYR B 155 30.928 -21.224 28.862 1.00 29.33 O ATOM 0 H TYR B 155 24.462 -19.687 28.641 1.00 20.76 H new ATOM 0 HA TYR B 155 24.879 -21.448 30.663 1.00 18.90 H new ATOM 0 HB2 TYR B 155 25.753 -18.754 30.762 1.00 18.94 H new ATOM 0 HB3 TYR B 155 25.923 -19.777 31.927 1.00 18.94 H new ATOM 0 HD1 TYR B 155 27.669 -21.490 31.809 1.00 21.36 H new ATOM 0 HD2 TYR B 155 27.254 -18.868 28.805 1.00 21.81 H new ATOM 0 HE1 TYR B 155 29.728 -22.130 30.957 1.00 24.34 H new ATOM 0 HE2 TYR B 155 29.296 -19.487 27.965 1.00 25.27 H new ATOM 0 HH TYR B 155 30.819 -21.570 28.104 1.00 29.33 H new ATOM 2342 N AVAL B 156 23.124 -20.444 32.179 0.50 16.80 N ATOM 2343 N BVAL B 156 23.107 -20.452 32.177 0.50 16.95 N ATOM 2344 CA AVAL B 156 21.904 -20.015 32.838 0.50 16.49 C ATOM 2345 CA BVAL B 156 21.874 -20.018 32.832 0.50 16.82 C ATOM 2346 C AVAL B 156 22.201 -19.652 34.286 0.50 16.42 C ATOM 2347 C BVAL B 156 22.075 -19.758 34.320 0.50 16.57 C ATOM 2348 O AVAL B 156 23.158 -20.169 34.885 0.50 15.76 O ATOM 2349 O BVAL B 156 22.822 -20.471 34.994 0.50 16.01 O ATOM 2350 CB AVAL B 156 20.790 -21.094 32.739 0.50 16.75 C ATOM 2351 CB BVAL B 156 20.720 -21.031 32.653 0.50 17.04 C ATOM 2352 CG1AVAL B 156 21.262 -22.405 33.338 0.50 15.16 C ATOM 2353 CG1BVAL B 156 19.391 -20.370 32.952 0.50 18.47 C ATOM 2354 CG2AVAL B 156 19.508 -20.628 33.410 0.50 18.02 C ATOM 2355 CG2BVAL B 156 20.713 -21.589 31.252 0.50 16.72 C ATOM 0 H AVAL B 156 23.610 -20.982 32.642 0.50 16.95 H new ATOM 0 H BVAL B 156 23.585 -20.996 32.641 0.50 16.95 H new ATOM 0 HA AVAL B 156 21.569 -19.226 32.383 0.50 16.82 H new ATOM 0 HA BVAL B 156 21.631 -19.188 32.393 0.50 16.82 H new ATOM 0 HB AVAL B 156 20.597 -21.237 31.799 0.50 17.04 H new ATOM 0 HB BVAL B 156 20.858 -21.762 33.276 0.50 17.04 H new ATOM 0 HG11AVAL B 156 20.556 -23.066 33.268 0.50 18.47 H new ATOM 0 HG11BVAL B 156 18.675 -21.015 32.836 0.50 18.47 H new ATOM 0 HG12AVAL B 156 22.045 -22.717 32.858 0.50 18.47 H new ATOM 0 HG12BVAL B 156 19.389 -20.046 33.866 0.50 18.47 H new ATOM 0 HG13AVAL B 156 21.488 -22.272 34.272 0.50 18.47 H new ATOM 0 HG13BVAL B 156 19.256 -19.625 32.345 0.50 18.47 H new ATOM 0 HG21AVAL B 156 18.832 -21.320 33.333 0.50 16.72 H new ATOM 0 HG21BVAL B 156 19.983 -22.221 31.159 0.50 16.72 H new ATOM 0 HG22AVAL B 156 19.680 -20.448 34.347 0.50 16.72 H new ATOM 0 HG22BVAL B 156 20.597 -20.866 30.616 0.50 16.72 H new ATOM 0 HG23AVAL B 156 19.192 -19.819 32.978 0.50 16.72 H new ATOM 0 HG23BVAL B 156 21.555 -22.039 31.079 0.50 16.72 H new ATOM 2356 N GLN B 157 21.411 -18.723 34.823 1.00 16.13 N ATOM 2357 CA GLN B 157 21.420 -18.419 36.262 1.00 15.74 C ATOM 2358 C GLN B 157 20.026 -17.964 36.671 1.00 16.09 C ATOM 2359 O GLN B 157 19.176 -17.710 35.813 1.00 16.04 O ATOM 2360 CB GLN B 157 22.486 -17.392 36.612 1.00 16.67 C ATOM 2361 CG GLN B 157 22.147 -15.986 36.121 1.00 16.99 C ATOM 2362 CD GLN B 157 23.359 -15.117 36.058 1.00 17.58 C ATOM 2363 OE1 GLN B 157 24.077 -15.118 35.068 1.00 18.59 O ATOM 2364 NE2 GLN B 157 23.617 -14.377 37.136 1.00 18.54 N ATOM 0 H AGLN B 157 20.855 -18.250 34.368 0.50 16.13 H new ATOM 0 H BGLN B 157 20.944 -18.178 34.349 0.50 16.13 H new ATOM 0 HA GLN B 157 21.650 -19.218 36.761 1.00 15.74 H new ATOM 0 HB2 GLN B 157 22.605 -17.373 37.574 1.00 16.67 H new ATOM 0 HB3 GLN B 157 23.332 -17.668 36.227 1.00 16.67 H new ATOM 0 HG2 GLN B 157 21.740 -16.039 35.242 1.00 16.99 H new ATOM 0 HG3 GLN B 157 21.491 -15.585 36.713 1.00 16.99 H new ATOM 0 HE21 GLN B 157 23.087 -14.404 37.813 1.00 18.54 H new ATOM 0 HE22 GLN B 157 24.313 -13.873 37.155 1.00 18.54 H new ATOM 2365 N LYS B 158 19.793 -17.864 37.974 1.00 15.62 N ATOM 2366 CA LYS B 158 18.545 -17.350 38.508 1.00 16.33 C ATOM 2367 C LYS B 158 18.886 -16.070 39.241 1.00 15.86 C ATOM 2368 O LYS B 158 19.801 -16.042 40.065 1.00 17.03 O ATOM 2369 CB LYS B 158 17.967 -18.359 39.508 1.00 18.58 C ATOM 2370 CG LYS B 158 16.482 -18.308 39.684 1.00 24.51 C ATOM 2371 CD LYS B 158 15.827 -19.338 38.760 1.00 32.17 C ATOM 2372 CE LYS B 158 14.594 -19.986 39.386 1.00 36.07 C ATOM 2373 NZ LYS B 158 13.557 -18.980 39.830 1.00 40.06 N ATOM 0 H LYS B 158 20.362 -18.095 38.576 1.00 15.62 H new ATOM 0 HA LYS B 158 17.896 -17.197 37.804 1.00 16.33 H new ATOM 0 HB2 LYS B 158 18.213 -19.253 39.222 1.00 18.58 H new ATOM 0 HB3 LYS B 158 18.385 -18.212 40.371 1.00 18.58 H new ATOM 0 HG2 LYS B 158 16.249 -18.492 40.607 1.00 24.51 H new ATOM 0 HG3 LYS B 158 16.152 -17.419 39.480 1.00 24.51 H new ATOM 0 HD2 LYS B 158 15.575 -18.908 37.928 1.00 32.17 H new ATOM 0 HD3 LYS B 158 16.473 -20.027 38.539 1.00 32.17 H new ATOM 0 HE2 LYS B 158 14.194 -20.594 38.745 1.00 36.07 H new ATOM 0 HE3 LYS B 158 14.867 -20.519 40.149 1.00 36.07 H new ATOM 0 HZ1 LYS B 158 12.757 -19.369 39.856 1.00 40.06 H new ATOM 0 HZ2 LYS B 158 13.765 -18.677 40.641 1.00 40.06 H new ATOM 0 HZ3 LYS B 158 13.537 -18.300 39.256 1.00 40.06 H new ATOM 2374 N GLY B 159 18.160 -14.991 38.961 1.00 14.01 N ATOM 2375 CA GLY B 159 18.458 -13.747 39.660 1.00 13.68 C ATOM 2376 C GLY B 159 17.637 -12.629 39.054 1.00 13.24 C ATOM 2377 O GLY B 159 16.557 -12.852 38.581 1.00 14.00 O ATOM 0 H GLY B 159 17.515 -14.956 38.393 1.00 14.01 H new ATOM 0 HA2 GLY B 159 18.255 -13.837 40.604 1.00 13.68 H new ATOM 0 HA3 GLY B 159 19.404 -13.543 39.591 1.00 13.68 H new ATOM 2378 N GLU B 160 18.165 -11.421 39.154 1.00 12.68 N ATOM 2379 CA GLU B 160 17.513 -10.217 38.576 1.00 11.85 C ATOM 2380 C GLU B 160 18.609 -9.217 38.308 1.00 12.02 C ATOM 2381 O GLU B 160 19.668 -9.268 38.914 1.00 12.30 O ATOM 2382 CB GLU B 160 16.476 -9.666 39.564 1.00 12.01 C ATOM 2383 CG GLU B 160 15.709 -8.404 39.099 1.00 11.79 C ATOM 2384 CD GLU B 160 14.987 -8.598 37.761 1.00 13.83 C ATOM 2385 OE1 GLU B 160 13.828 -9.042 37.779 1.00 14.58 O ATOM 2386 OE2 GLU B 160 15.582 -8.271 36.704 1.00 14.22 O ATOM 0 H GLU B 160 18.909 -11.259 39.554 1.00 12.68 H new ATOM 0 HA GLU B 160 17.042 -10.421 37.753 1.00 11.85 H new ATOM 0 HB2 GLU B 160 15.831 -10.365 39.753 1.00 12.01 H new ATOM 0 HB3 GLU B 160 16.926 -9.462 40.399 1.00 12.01 H new ATOM 0 HG2 GLU B 160 15.061 -8.158 39.777 1.00 11.79 H new ATOM 0 HG3 GLU B 160 16.332 -7.664 39.020 1.00 11.79 H new ATOM 2387 N TYR B 161 18.379 -8.305 37.357 1.00 10.87 N ATOM 2388 CA TYR B 161 19.314 -7.215 37.135 1.00 10.12 C ATOM 2389 C TYR B 161 18.571 -5.885 36.999 1.00 10.33 C ATOM 2390 O TYR B 161 19.194 -4.837 37.032 1.00 10.57 O ATOM 2391 CB TYR B 161 20.234 -7.462 35.911 1.00 9.75 C ATOM 2392 CG TYR B 161 19.478 -7.571 34.610 1.00 9.96 C ATOM 2393 CD1 TYR B 161 19.123 -6.427 33.879 1.00 12.34 C ATOM 2394 CD2 TYR B 161 19.068 -8.814 34.137 1.00 11.78 C ATOM 2395 CE1 TYR B 161 18.374 -6.538 32.713 1.00 11.74 C ATOM 2396 CE2 TYR B 161 18.323 -8.924 32.951 1.00 12.47 C ATOM 2397 CZ TYR B 161 17.997 -7.779 32.246 1.00 12.24 C ATOM 2398 OH TYR B 161 17.278 -7.910 31.080 1.00 12.03 O ATOM 0 H TYR B 161 17.693 -8.305 36.838 1.00 10.87 H new ATOM 0 HA TYR B 161 19.890 -7.172 37.914 1.00 10.12 H new ATOM 0 HB2 TYR B 161 20.876 -6.738 35.845 1.00 9.75 H new ATOM 0 HB3 TYR B 161 20.740 -8.277 36.053 1.00 9.75 H new ATOM 0 HD1 TYR B 161 19.391 -5.588 34.177 1.00 12.34 H new ATOM 0 HD2 TYR B 161 19.290 -9.582 34.612 1.00 11.78 H new ATOM 0 HE1 TYR B 161 18.126 -5.772 32.247 1.00 11.74 H new ATOM 0 HE2 TYR B 161 18.052 -9.758 32.643 1.00 12.47 H new ATOM 0 HH TYR B 161 16.757 -7.257 30.997 1.00 12.03 H new ATOM 2399 N ARG B 162 17.259 -5.945 36.803 1.00 9.75 N ATOM 2400 CA ARG B 162 16.501 -4.711 36.535 1.00 10.19 C ATOM 2401 C ARG B 162 16.155 -4.007 37.823 1.00 10.63 C ATOM 2402 O ARG B 162 15.694 -4.647 38.778 1.00 11.87 O ATOM 2403 CB ARG B 162 15.190 -5.021 35.826 1.00 10.18 C ATOM 2404 CG ARG B 162 15.430 -5.595 34.426 1.00 9.78 C ATOM 2405 CD ARG B 162 14.194 -6.290 33.843 1.00 9.41 C ATOM 2406 NE ARG B 162 13.735 -7.429 34.674 1.00 11.23 N ATOM 2407 CZ ARG B 162 12.569 -8.038 34.536 1.00 11.86 C ATOM 2408 NH1 ARG B 162 11.700 -7.662 33.575 1.00 11.69 N ATOM 2409 NH2 ARG B 162 12.246 -9.048 35.365 1.00 14.63 N ATOM 0 H ARG B 162 16.792 -6.667 36.819 1.00 9.75 H new ATOM 0 HA ARG B 162 17.063 -4.150 35.978 1.00 10.19 H new ATOM 0 HB2 ARG B 162 14.678 -5.654 36.353 1.00 10.18 H new ATOM 0 HB3 ARG B 162 14.658 -4.212 35.759 1.00 10.18 H new ATOM 0 HG2 ARG B 162 15.703 -4.879 33.831 1.00 9.78 H new ATOM 0 HG3 ARG B 162 16.164 -6.228 34.463 1.00 9.78 H new ATOM 0 HD2 ARG B 162 13.474 -5.645 33.758 1.00 9.41 H new ATOM 0 HD3 ARG B 162 14.397 -6.607 32.949 1.00 9.41 H new ATOM 0 HE ARG B 162 14.264 -7.714 35.289 1.00 11.23 H new ATOM 0 HH11 ARG B 162 11.901 -7.018 33.042 1.00 11.69 H new ATOM 0 HH12 ARG B 162 10.945 -8.066 33.496 1.00 11.69 H new ATOM 0 HH21 ARG B 162 12.796 -9.293 35.979 1.00 14.63 H new ATOM 0 HH22 ARG B 162 11.489 -9.448 35.281 1.00 14.63 H new ATOM 2410 N THR B 163 16.325 -2.688 37.832 1.00 10.97 N ATOM 2411 CA THR B 163 15.922 -1.910 39.003 1.00 11.59 C ATOM 2412 C THR B 163 14.748 -0.966 38.769 1.00 12.56 C ATOM 2413 O THR B 163 14.203 -0.464 39.739 1.00 15.93 O ATOM 2414 CB THR B 163 17.105 -1.129 39.615 1.00 12.38 C ATOM 2415 OG1 THR B 163 17.581 -0.178 38.672 1.00 14.11 O ATOM 2416 CG2 THR B 163 18.222 -2.068 39.957 1.00 14.50 C ATOM 0 H THR B 163 16.664 -2.231 37.187 1.00 10.97 H new ATOM 0 HA THR B 163 15.615 -2.580 39.633 1.00 11.59 H new ATOM 0 HB THR B 163 16.801 -0.681 40.420 1.00 12.38 H new ATOM 0 HG1 THR B 163 18.204 -0.517 38.222 1.00 14.11 H new ATOM 0 HG21 THR B 163 18.959 -1.568 40.340 1.00 14.50 H new ATOM 0 HG22 THR B 163 17.908 -2.724 40.599 1.00 14.50 H new ATOM 0 HG23 THR B 163 18.522 -2.521 39.153 1.00 14.50 H new ATOM 2417 N ASN B 164 14.348 -0.730 37.514 1.00 11.33 N ATOM 2418 CA ASN B 164 13.256 0.219 37.259 1.00 11.14 C ATOM 2419 C ASN B 164 11.907 -0.506 37.221 1.00 11.16 C ATOM 2420 O ASN B 164 11.694 -1.330 36.331 1.00 11.68 O ATOM 2421 CB ASN B 164 13.503 0.965 35.935 1.00 10.75 C ATOM 2422 CG ASN B 164 12.467 2.066 35.696 1.00 11.23 C ATOM 2423 OD1 ASN B 164 11.548 2.243 36.485 1.00 12.51 O ATOM 2424 ND2 ASN B 164 12.627 2.820 34.589 1.00 13.31 N ATOM 0 H ASN B 164 14.685 -1.098 36.814 1.00 11.33 H new ATOM 0 HA ASN B 164 13.232 0.865 37.982 1.00 11.14 H new ATOM 0 HB2 ASN B 164 14.391 1.354 35.945 1.00 10.75 H new ATOM 0 HB3 ASN B 164 13.478 0.333 35.199 1.00 10.75 H new ATOM 0 HD21 ASN B 164 12.071 3.453 34.416 1.00 13.31 H new ATOM 0 HD22 ASN B 164 13.285 2.668 34.056 1.00 13.31 H new ATOM 2425 N PRO B 165 11.029 -0.270 38.214 1.00 10.57 N ATOM 2426 CA PRO B 165 9.741 -0.962 38.243 1.00 11.40 C ATOM 2427 C PRO B 165 8.978 -0.802 36.926 1.00 11.49 C ATOM 2428 O PRO B 165 8.268 -1.710 36.510 1.00 11.11 O ATOM 2429 CB PRO B 165 8.982 -0.283 39.400 1.00 12.29 C ATOM 2430 CG PRO B 165 10.082 0.206 40.336 1.00 11.16 C ATOM 2431 CD PRO B 165 11.253 0.572 39.420 1.00 11.46 C ATOM 0 HA PRO B 165 9.845 -1.919 38.365 1.00 11.40 H new ATOM 0 HB2 PRO B 165 8.435 0.452 39.082 1.00 12.29 H new ATOM 0 HB3 PRO B 165 8.388 -0.906 39.847 1.00 12.29 H new ATOM 0 HG2 PRO B 165 9.788 0.973 40.852 1.00 11.16 H new ATOM 0 HG3 PRO B 165 10.335 -0.483 40.970 1.00 11.16 H new ATOM 0 HD2 PRO B 165 11.253 1.517 39.201 1.00 11.46 H new ATOM 0 HD3 PRO B 165 12.107 0.378 39.837 1.00 11.46 H new ATOM 2432 N AGLU B 166 9.142 0.343 36.280 0.50 11.92 N ATOM 2433 N BGLU B 166 9.133 0.346 36.275 0.50 11.72 N ATOM 2434 CA AGLU B 166 8.478 0.603 35.009 0.50 12.89 C ATOM 2435 CA BGLU B 166 8.485 0.611 34.987 0.50 12.47 C ATOM 2436 C AGLU B 166 8.922 -0.365 33.900 0.50 12.62 C ATOM 2437 C BGLU B 166 8.906 -0.407 33.922 0.50 12.38 C ATOM 2438 O AGLU B 166 8.127 -0.687 33.001 0.50 13.83 O ATOM 2439 O BGLU B 166 8.094 -0.783 33.057 0.50 13.60 O ATOM 2440 CB AGLU B 166 8.660 2.081 34.664 0.50 13.59 C ATOM 2441 CB BGLU B 166 8.850 2.029 34.562 0.50 13.04 C ATOM 2442 CG AGLU B 166 9.181 2.449 33.315 0.50 15.21 C ATOM 2443 CG BGLU B 166 8.279 2.563 33.272 0.50 13.42 C ATOM 2444 CD AGLU B 166 9.310 3.964 33.203 0.50 16.70 C ATOM 2445 CD BGLU B 166 9.008 3.846 32.887 0.50 15.23 C ATOM 2446 OE1AGLU B 166 10.459 4.465 33.256 0.50 16.96 O ATOM 2447 OE1BGLU B 166 9.489 4.548 33.803 0.50 15.85 O ATOM 2448 OE2AGLU B 166 8.260 4.654 33.120 0.50 17.28 O ATOM 2449 OE2BGLU B 166 9.151 4.148 31.690 0.50 14.59 O ATOM 0 H AGLU B 166 9.637 0.988 36.562 0.50 11.72 H new ATOM 0 H BGLU B 166 9.616 0.996 36.565 0.50 11.72 H new ATOM 0 HA AGLU B 166 7.527 0.428 35.091 0.50 12.47 H new ATOM 0 HA BGLU B 166 7.524 0.526 35.083 0.50 12.47 H new ATOM 0 HB2AGLU B 166 7.800 2.516 34.775 0.50 13.04 H new ATOM 0 HB2BGLU B 166 8.580 2.629 35.275 0.50 13.04 H new ATOM 0 HB3AGLU B 166 9.259 2.464 35.324 0.50 13.04 H new ATOM 0 HB3BGLU B 166 9.817 2.079 34.500 0.50 13.04 H new ATOM 0 HG2AGLU B 166 10.044 2.031 33.168 0.50 13.42 H new ATOM 0 HG2BGLU B 166 8.372 1.903 32.568 0.50 13.42 H new ATOM 0 HG3AGLU B 166 8.584 2.116 32.627 0.50 13.42 H new ATOM 0 HG3BGLU B 166 7.330 2.737 33.374 0.50 13.42 H new ATOM 2450 N ASP B 167 10.166 -0.852 33.981 1.00 12.68 N ATOM 2451 CA ASP B 167 10.673 -1.873 33.031 1.00 12.22 C ATOM 2452 C ASP B 167 10.176 -3.265 33.387 1.00 12.63 C ATOM 2453 O ASP B 167 9.936 -4.100 32.485 1.00 13.06 O ATOM 2454 CB ASP B 167 12.203 -1.948 33.007 1.00 12.74 C ATOM 2455 CG ASP B 167 12.855 -0.716 32.446 1.00 13.87 C ATOM 2456 OD1 ASP B 167 12.261 -0.027 31.560 1.00 13.63 O ATOM 2457 OD2 ASP B 167 13.990 -0.457 32.884 1.00 13.64 O ATOM 0 H AASP B 167 10.737 -0.609 34.576 0.50 12.68 H new ATOM 0 H BASP B 167 10.745 -0.582 34.557 0.50 12.68 H new ATOM 0 HA ASP B 167 10.340 -1.594 32.164 1.00 12.22 H new ATOM 0 HB2 ASP B 167 12.527 -2.094 33.910 1.00 12.74 H new ATOM 0 HB3 ASP B 167 12.474 -2.717 32.481 1.00 12.74 H new ATOM 2458 N ILE B 168 10.057 -3.532 34.688 1.00 12.75 N ATOM 2459 CA ILE B 168 9.670 -4.846 35.185 1.00 13.92 C ATOM 2460 C ILE B 168 8.172 -5.096 35.030 1.00 15.32 C ATOM 2461 O ILE B 168 7.755 -6.226 34.779 1.00 15.84 O ATOM 2462 CB ILE B 168 10.089 -4.989 36.666 1.00 13.54 C ATOM 2463 CG1 ILE B 168 11.622 -4.929 36.778 1.00 13.26 C ATOM 2464 CG2 ILE B 168 9.585 -6.321 37.247 1.00 15.74 C ATOM 2465 CD1 ILE B 168 12.138 -4.742 38.211 1.00 13.61 C ATOM 0 H ILE B 168 10.200 -2.952 35.307 1.00 12.75 H new ATOM 0 HA ILE B 168 10.130 -5.513 34.652 1.00 13.92 H new ATOM 0 HB ILE B 168 9.694 -4.260 37.170 1.00 13.54 H new ATOM 0 HG12 ILE B 168 11.996 -5.747 36.414 1.00 13.26 H new ATOM 0 HG13 ILE B 168 11.949 -4.199 36.229 1.00 13.26 H new ATOM 0 HG21 ILE B 168 9.857 -6.393 38.175 1.00 15.74 H new ATOM 0 HG22 ILE B 168 8.617 -6.353 37.191 1.00 15.74 H new ATOM 0 HG23 ILE B 168 9.963 -7.058 36.742 1.00 15.74 H new ATOM 0 HD11 ILE B 168 13.108 -4.713 38.205 1.00 13.61 H new ATOM 0 HD12 ILE B 168 11.793 -3.911 38.574 1.00 13.61 H new ATOM 0 HD13 ILE B 168 11.840 -5.483 38.762 1.00 13.61 H new ATOM 2466 N TYR B 169 7.386 -4.028 35.192 1.00 16.48 N ATOM 2467 CA TYR B 169 5.926 -4.092 35.131 1.00 19.14 C ATOM 2468 C TYR B 169 5.392 -3.104 34.093 1.00 20.90 C ATOM 2469 O TYR B 169 4.791 -2.095 34.449 1.00 21.02 O ATOM 2470 CB TYR B 169 5.350 -3.763 36.503 1.00 19.06 C ATOM 2471 CG TYR B 169 5.865 -4.649 37.600 1.00 20.69 C ATOM 2472 CD1 TYR B 169 5.442 -5.973 37.698 1.00 22.72 C ATOM 2473 CD2 TYR B 169 6.768 -4.163 38.549 1.00 20.68 C ATOM 2474 CE1 TYR B 169 5.909 -6.800 38.700 1.00 25.40 C ATOM 2475 CE2 TYR B 169 7.230 -4.989 39.574 1.00 23.48 C ATOM 2476 CZ TYR B 169 6.785 -6.297 39.636 1.00 25.01 C ATOM 2477 OH TYR B 169 7.229 -7.137 40.619 1.00 28.19 O ATOM 0 H TYR B 169 7.691 -3.238 35.342 1.00 16.48 H new ATOM 0 HA TYR B 169 5.658 -4.987 34.871 1.00 19.14 H new ATOM 0 HB2 TYR B 169 5.557 -2.840 36.719 1.00 19.06 H new ATOM 0 HB3 TYR B 169 4.383 -3.836 36.466 1.00 19.06 H new ATOM 0 HD1 TYR B 169 4.834 -6.305 37.077 1.00 22.72 H new ATOM 0 HD2 TYR B 169 7.063 -3.283 38.497 1.00 20.68 H new ATOM 0 HE1 TYR B 169 5.635 -7.688 38.742 1.00 25.40 H new ATOM 0 HE2 TYR B 169 7.829 -4.664 40.207 1.00 23.48 H new ATOM 0 HH TYR B 169 7.755 -6.722 41.126 1.00 28.19 H new ATOM 2478 N PRO B 170 5.638 -3.379 32.804 1.00 22.35 N ATOM 2479 CA PRO B 170 5.192 -2.481 31.740 1.00 24.66 C ATOM 2480 C PRO B 170 3.663 -2.424 31.615 1.00 26.55 C ATOM 2481 O PRO B 170 2.966 -3.322 32.094 1.00 27.20 O ATOM 2482 CB PRO B 170 5.808 -3.109 30.484 1.00 24.53 C ATOM 2483 CG PRO B 170 5.929 -4.542 30.803 1.00 24.08 C ATOM 2484 CD PRO B 170 6.307 -4.577 32.260 1.00 23.33 C ATOM 0 HA PRO B 170 5.461 -1.563 31.901 1.00 24.66 H new ATOM 0 HB2 PRO B 170 5.245 -2.967 29.707 1.00 24.53 H new ATOM 0 HB3 PRO B 170 6.673 -2.719 30.283 1.00 24.53 H new ATOM 0 HG2 PRO B 170 5.095 -5.010 30.644 1.00 24.08 H new ATOM 0 HG3 PRO B 170 6.604 -4.970 30.253 1.00 24.08 H new ATOM 0 HD2 PRO B 170 5.998 -5.389 32.692 1.00 23.33 H new ATOM 0 HD3 PRO B 170 7.268 -4.539 32.383 1.00 23.33 H new ATOM 2485 N SER B 171 3.183 -1.346 30.990 1.00 29.08 N ATOM 2486 CA SER B 171 1.773 -1.133 30.592 1.00 32.14 C ATOM 2487 C SER B 171 1.079 -0.150 31.515 1.00 32.68 C ATOM 2488 O SER B 171 -0.015 0.331 31.212 1.00 34.55 O ATOM 2489 CB SER B 171 0.966 -2.437 30.473 1.00 32.09 C ATOM 2490 OG SER B 171 1.015 -2.952 29.155 1.00 34.69 O ATOM 0 H SER B 171 3.689 -0.685 30.774 1.00 29.08 H new ATOM 0 HA SER B 171 1.806 -0.751 29.701 1.00 32.14 H new ATOM 0 HB2 SER B 171 1.317 -3.095 31.093 1.00 32.09 H new ATOM 0 HB3 SER B 171 0.044 -2.273 30.725 1.00 32.09 H new ATOM 0 HG SER B 171 0.570 -3.663 29.115 1.00 34.69 H new TER 2491 SER B 171 HETATM 2492 S SO4 A 201 20.665 -9.149 12.875 1.00 14.02 S HETATM 2493 O1 SO4 A 201 21.196 -10.206 12.017 1.00 14.51 O HETATM 2494 O2 SO4 A 201 20.671 -7.916 12.087 1.00 19.77 O HETATM 2495 O3 SO4 A 201 19.384 -9.498 13.376 1.00 14.60 O HETATM 2496 O4 SO4 A 201 21.544 -8.952 14.051 1.00 14.93 O HETATM 2497 S SO4 A 202 2.457 -24.354 12.833 1.00 47.51 S HETATM 2498 O1 SO4 A 202 3.786 -24.681 12.347 1.00 45.00 O HETATM 2499 O2 SO4 A 202 1.679 -23.665 11.809 1.00 45.31 O HETATM 2500 O3 SO4 A 202 1.826 -25.616 13.224 1.00 45.03 O HETATM 2501 O4 SO4 A 202 2.561 -23.466 13.976 1.00 44.33 O HETATM 2502 S SO4 A 203 -6.107 -20.409 6.352 1.00 62.75 S HETATM 2503 O1 SO4 A 203 -6.002 -20.450 4.893 1.00 62.35 O HETATM 2504 O2 SO4 A 203 -7.379 -21.004 6.776 1.00 62.73 O HETATM 2505 O3 SO4 A 203 -4.978 -21.146 6.937 1.00 62.41 O HETATM 2506 O4 SO4 A 203 -6.094 -19.026 6.801 1.00 62.14 O HETATM 2507 C1 PEG A 204 22.222 -8.821 9.439 1.00 38.24 C HETATM 2508 O1 PEG A 204 23.167 -9.188 10.440 1.00 38.39 O HETATM 2509 C2 PEG A 204 22.855 -7.946 8.364 1.00 38.99 C HETATM 2510 O2 PEG A 204 21.857 -7.761 7.358 1.00 40.84 O HETATM 2511 C3 PEG A 204 22.092 -8.631 6.250 1.00 40.00 C HETATM 2512 C4 PEG A 204 20.803 -9.350 5.893 1.00 39.51 C HETATM 2513 O4 PEG A 204 21.110 -10.296 4.860 1.00 37.52 O HETATM 0 HO4 PEG A 204 20.752 -11.034 5.041 1.00 37.52 H new HETATM 0 HO1 PEG A 204 22.767 -9.550 11.084 1.00 38.39 H new HETATM 0 H42 PEG A 204 20.437 -9.800 6.670 1.00 39.51 H new HETATM 0 H41 PEG A 204 20.133 -8.718 5.589 1.00 39.51 H new HETATM 0 H32 PEG A 204 22.412 -8.122 5.489 1.00 40.00 H new HETATM 0 H31 PEG A 204 22.783 -9.275 6.472 1.00 40.00 H new HETATM 0 H22 PEG A 204 23.137 -7.094 8.733 1.00 38.99 H new HETATM 0 H21 PEG A 204 23.645 -8.370 7.994 1.00 38.99 H new HETATM 0 H12 PEG A 204 21.854 -9.621 9.031 1.00 38.24 H new HETATM 0 H11 PEG A 204 21.482 -8.346 9.850 1.00 38.24 H new HETATM 2514 C1 GOL A 205 -4.753 -17.103 -1.321 1.00 33.45 C HETATM 2515 O1 GOL A 205 -4.162 -16.288 -0.310 1.00 27.40 O HETATM 2516 C2 GOL A 205 -3.842 -17.925 -2.255 1.00 30.69 C HETATM 2517 O2 GOL A 205 -4.016 -19.307 -1.999 1.00 36.07 O HETATM 2518 C3 GOL A 205 -2.350 -17.572 -2.243 1.00 32.73 C HETATM 2519 O3 GOL A 205 -1.639 -17.858 -3.444 1.00 26.43 O HETATM 0 HO3 GOL A 205 -1.950 -18.555 -3.795 1.00 26.43 H new HETATM 0 HO2 GOL A 205 -3.359 -19.733 -2.302 1.00 36.07 H new HETATM 0 HO1 GOL A 205 -4.562 -15.550 -0.275 1.00 27.40 H new HETATM 0 H32 GOL A 205 -2.260 -16.626 -2.050 1.00 32.73 H new HETATM 0 H31 GOL A 205 -1.927 -18.051 -1.514 1.00 32.73 H new HETATM 0 H2 GOL A 205 -4.134 -17.686 -3.149 1.00 30.69 H new HETATM 0 H12 GOL A 205 -5.355 -17.723 -0.881 1.00 33.45 H new HETATM 0 H11 GOL A 205 -5.298 -16.526 -1.879 1.00 33.45 H new HETATM 2520 C1 EDO A 206 3.780 -11.195 16.217 1.00 35.43 C HETATM 2521 O1 EDO A 206 3.053 -11.339 14.980 1.00 35.82 O HETATM 2522 C2 EDO A 206 2.986 -11.760 17.385 1.00 32.59 C HETATM 2523 O2 EDO A 206 2.828 -13.183 17.275 1.00 29.45 O HETATM 0 HO2 EDO A 206 2.223 -13.439 17.798 1.00 29.45 H new HETATM 0 HO1 EDO A 206 2.565 -12.022 15.019 1.00 35.82 H new HETATM 0 H22 EDO A 206 3.436 -11.547 18.217 1.00 32.59 H new HETATM 0 H21 EDO A 206 2.113 -11.338 17.419 1.00 32.59 H new HETATM 0 H12 EDO A 206 4.633 -11.652 16.150 1.00 35.43 H new HETATM 0 H11 EDO A 206 3.972 -10.258 16.376 1.00 35.43 H new HETATM 2524 C1 EDO A 207 10.521 -1.410 16.343 1.00 38.82 C HETATM 2525 O1 EDO A 207 10.009 -0.332 17.142 1.00 37.72 O HETATM 2526 C2 EDO A 207 9.645 -2.647 16.470 1.00 39.02 C HETATM 2527 O2 EDO A 207 10.502 -3.751 16.807 1.00 37.49 O HETATM 0 HO2 EDO A 207 10.813 -4.089 16.104 1.00 37.49 H new HETATM 0 HO1 EDO A 207 10.284 -0.413 17.932 1.00 37.72 H new HETATM 0 H22 EDO A 207 8.970 -2.518 17.154 1.00 39.02 H new HETATM 0 H21 EDO A 207 9.177 -2.820 15.638 1.00 39.02 H new HETATM 0 H12 EDO A 207 10.566 -1.135 15.414 1.00 38.82 H new HETATM 0 H11 EDO A 207 11.426 -1.621 16.620 1.00 38.82 H new HETATM 2528 C1 PEG A 208 16.450 -15.365 22.412 1.00 43.85 C HETATM 2529 O1 PEG A 208 15.208 -15.907 22.894 1.00 42.14 O HETATM 2530 C2 PEG A 208 16.477 -15.391 20.886 1.00 44.41 C HETATM 2531 O2 PEG A 208 16.941 -16.656 20.413 1.00 46.10 O HETATM 2532 C3 PEG A 208 18.336 -16.622 20.123 1.00 46.20 C HETATM 2533 C4 PEG A 208 19.095 -17.599 21.006 1.00 45.99 C HETATM 2534 O4 PEG A 208 20.191 -18.124 20.259 1.00 46.91 O HETATM 0 HO4 PEG A 208 20.179 -18.963 20.296 1.00 46.91 H new HETATM 0 HO1 PEG A 208 15.301 -16.155 23.691 1.00 42.14 H new HETATM 0 H42 PEG A 208 19.415 -17.153 21.806 1.00 45.99 H new HETATM 0 H41 PEG A 208 18.510 -18.316 21.296 1.00 45.99 H new HETATM 0 H32 PEG A 208 18.482 -16.842 19.190 1.00 46.20 H new HETATM 0 H31 PEG A 208 18.677 -15.724 20.259 1.00 46.20 H new HETATM 0 H22 PEG A 208 15.588 -15.216 20.539 1.00 44.41 H new HETATM 0 H21 PEG A 208 17.054 -14.685 20.556 1.00 44.41 H new HETATM 0 H12 PEG A 208 16.558 -14.455 22.729 1.00 43.85 H new HETATM 0 H11 PEG A 208 17.194 -15.879 22.764 1.00 43.85 H new HETATM 2535 S SO4 B 201 12.535 -6.915 16.297 1.00 13.66 S HETATM 2536 O1 SO4 B 201 12.364 -5.801 15.331 1.00 17.66 O HETATM 2537 O2 SO4 B 201 11.689 -8.021 15.846 1.00 17.04 O HETATM 2538 O3 SO4 B 201 13.905 -7.332 16.373 1.00 13.19 O HETATM 2539 O4 SO4 B 201 12.032 -6.386 17.547 1.00 14.65 O HETATM 2540 S SO4 B 202 21.655 9.427 28.221 1.00 77.97 S HETATM 2541 O1 SO4 B 202 22.978 9.804 28.711 1.00 78.14 O HETATM 2542 O2 SO4 B 202 21.121 10.508 27.394 1.00 77.73 O HETATM 2543 O3 SO4 B 202 21.774 8.197 27.433 1.00 78.40 O HETATM 2544 O4 SO4 B 202 20.755 9.205 29.353 1.00 77.83 O HETATM 2545 C1 PEG B 203 19.111 -9.436 15.845 1.00 23.53 C HETATM 2546 O1 PEG B 203 20.384 -9.920 16.358 1.00 32.22 O HETATM 2547 C2 PEG B 203 17.864 -10.257 16.149 1.00 27.87 C HETATM 2548 O2 PEG B 203 16.682 -9.620 15.699 1.00 29.46 O HETATM 2549 C3 PEG B 203 15.518 -9.866 16.465 1.00 26.16 C HETATM 2550 C4 PEG B 203 14.240 -9.690 15.665 1.00 26.60 C HETATM 2551 O4 PEG B 203 13.065 -10.368 16.176 1.00 28.91 O HETATM 0 HO4 PEG B 203 13.044 -11.154 15.881 1.00 28.91 H new HETATM 0 HO1 PEG B 203 20.580 -9.503 17.060 1.00 32.22 H new HETATM 0 H42 PEG B 203 14.044 -8.742 15.609 1.00 26.60 H new HETATM 0 H41 PEG B 203 14.402 -10.001 14.760 1.00 26.60 H new HETATM 0 H32 PEG B 203 15.552 -10.769 16.817 1.00 26.16 H new HETATM 0 H31 PEG B 203 15.504 -9.265 17.226 1.00 26.16 H new HETATM 0 H22 PEG B 203 17.941 -11.127 15.728 1.00 27.87 H new HETATM 0 H21 PEG B 203 17.804 -10.409 17.105 1.00 27.87 H new HETATM 0 H12 PEG B 203 18.971 -8.541 16.192 1.00 23.53 H new HETATM 0 H11 PEG B 203 19.189 -9.357 14.881 1.00 23.53 H new HETATM 2552 S SO4 B 204 32.039 -8.927 29.708 1.00 61.36 S HETATM 2553 O1 SO4 B 204 33.023 -8.119 28.990 1.00 60.21 O HETATM 2554 O2 SO4 B 204 31.137 -9.560 28.754 1.00 60.33 O HETATM 2555 O3 SO4 B 204 32.704 -9.950 30.515 1.00 60.44 O HETATM 2556 O4 SO4 B 204 31.267 -8.061 30.592 1.00 60.06 O HETATM 2557 C1 EDO B 205 23.104 -13.079 41.357 1.00 37.23 C HETATM 2558 O1 EDO B 205 23.102 -12.995 42.790 1.00 40.70 O HETATM 2559 C2 EDO B 205 22.036 -14.066 40.905 1.00 37.34 C HETATM 2560 O2 EDO B 205 22.396 -14.707 39.665 1.00 31.18 O HETATM 0 HO2 EDO B 205 22.063 -15.478 39.641 1.00 31.18 H new HETATM 0 HO1 EDO B 205 23.692 -12.452 43.040 1.00 40.70 H new HETATM 0 H22 EDO B 205 21.905 -14.739 41.592 1.00 37.34 H new HETATM 0 H21 EDO B 205 21.191 -13.602 40.797 1.00 37.34 H new HETATM 0 H12 EDO B 205 22.934 -12.205 40.972 1.00 37.23 H new HETATM 0 H11 EDO B 205 23.976 -13.364 41.041 1.00 37.23 H new HETATM 2561 C1 EDO B 206 9.831 -10.304 35.109 1.00 35.69 C HETATM 2562 O1 EDO B 206 8.868 -10.673 36.090 1.00 39.24 O HETATM 2563 C2 EDO B 206 9.588 -10.944 33.747 1.00 38.63 C HETATM 2564 O2 EDO B 206 10.845 -11.143 33.074 1.00 36.78 O HETATM 0 HO2 EDO B 206 11.058 -11.955 33.112 1.00 36.78 H new HETATM 0 HO1 EDO B 206 9.050 -10.295 36.818 1.00 39.24 H new HETATM 0 H22 EDO B 206 9.131 -11.793 33.855 1.00 38.63 H new HETATM 0 H21 EDO B 206 9.011 -10.377 33.212 1.00 38.63 H new HETATM 0 H12 EDO B 206 9.828 -9.339 35.010 1.00 35.69 H new HETATM 0 H11 EDO B 206 10.714 -10.554 35.423 1.00 35.69 H new HETATM 2565 S DMS B 207 15.861 3.986 9.419 1.00 25.33 S HETATM 2566 O DMS B 207 16.136 2.620 10.516 1.00 25.78 O HETATM 2567 C1 DMS B 207 15.785 5.471 10.454 1.00 24.86 C HETATM 2568 C2 DMS B 207 17.426 4.349 8.585 1.00 25.44 C HETATM 0 H23 DMS B 207 17.303 5.095 7.977 1.00 25.44 H new HETATM 0 H22 DMS B 207 18.099 4.578 9.245 1.00 25.44 H new HETATM 0 H21 DMS B 207 17.715 3.569 8.086 1.00 25.44 H new HETATM 0 H13 DMS B 207 15.635 6.249 9.894 1.00 24.86 H new HETATM 0 H12 DMS B 207 15.057 5.386 11.090 1.00 24.86 H new HETATM 0 H11 DMS B 207 16.622 5.575 10.933 1.00 24.86 H new HETATM 2569 C1 PEG B 208 19.057 8.539 21.739 1.00 40.59 C HETATM 2570 O1 PEG B 208 18.667 9.624 20.891 1.00 41.40 O HETATM 2571 C2 PEG B 208 18.949 8.932 23.202 1.00 40.66 C HETATM 2572 O2 PEG B 208 19.605 7.960 24.017 1.00 42.52 O HETATM 2573 C3 PEG B 208 19.132 7.889 25.366 1.00 40.06 C HETATM 2574 C4 PEG B 208 17.605 7.902 25.432 1.00 38.70 C HETATM 2575 O4 PEG B 208 17.284 7.770 26.818 1.00 39.03 O HETATM 0 HO4 PEG B 208 16.450 7.773 26.914 1.00 39.03 H new HETATM 0 HO1 PEG B 208 17.934 9.443 20.523 1.00 41.40 H new HETATM 0 H42 PEG B 208 17.246 8.726 25.067 1.00 38.70 H new HETATM 0 H41 PEG B 208 17.226 7.174 24.915 1.00 38.70 H new HETATM 0 H32 PEG B 208 19.467 7.081 25.784 1.00 40.06 H new HETATM 0 H31 PEG B 208 19.484 8.638 25.872 1.00 40.06 H new HETATM 0 H22 PEG B 208 19.349 9.805 23.341 1.00 40.66 H new HETATM 0 H21 PEG B 208 18.016 9.003 23.458 1.00 40.66 H new HETATM 0 H12 PEG B 208 18.494 7.768 21.564 1.00 40.59 H new HETATM 0 H11 PEG B 208 19.969 8.276 21.537 1.00 40.59 H new HETATM 2576 O HOH A 301 6.817 0.716 8.660 1.00 10.42 O HETATM 2577 O HOH A 302 16.859 -15.826 11.259 1.00 10.18 O HETATM 2578 O HOH A 303 9.570 -14.827 15.485 1.00 15.08 O HETATM 2579 O HOH A 304 18.800 -26.783 3.994 1.00 18.02 O HETATM 2580 O HOH A 305 15.426 -16.374 17.124 1.00 18.55 O HETATM 2581 O HOH A 306 12.792 -9.891 -2.949 1.00 14.45 O HETATM 2582 O HOH A 307 18.922 -5.894 11.634 1.00 16.16 O HETATM 2583 O HOH A 308 13.926 -1.985 7.913 1.00 16.45 O HETATM 2584 O HOH A 309 2.319 -21.275 0.548 1.00 16.13 O HETATM 2585 O HOH A 310 23.744 -7.319 14.087 1.00 16.38 O HETATM 2586 O HOH A 311 7.713 -23.892 0.245 1.00 15.47 O HETATM 2587 O HOH A 312 19.732 -11.913 19.354 1.00 18.93 O HETATM 2588 O HOH A 313 -3.468 -6.913 2.327 1.00 20.00 O HETATM 2589 O HOH A 314 22.916 -23.750 12.757 1.00 19.55 O HETATM 2590 O HOH A 315 13.683 -3.862 9.996 1.00 16.64 O HETATM 2591 O HOH A 316 4.562 -15.371 -4.052 1.00 17.11 O HETATM 2592 O HOH A 317 -2.874 -16.411 4.196 1.00 15.68 O HETATM 2593 O HOH A 318 16.039 -5.448 9.860 1.00 16.47 O HETATM 2594 O HOH A 319 10.852 7.189 6.710 1.00 14.88 O HETATM 2595 O HOH A 320 10.555 -29.881 25.665 1.00 20.11 O HETATM 2596 O HOH A 321 -3.987 -18.650 11.554 1.00 17.14 O HETATM 2597 O HOH A 322 -4.609 -12.053 -0.741 1.00 19.85 O HETATM 2598 O HOH A 323 12.691 -2.076 -1.760 1.00 17.42 O HETATM 2599 O HOH A 324 0.877 -14.645 -5.032 1.00 18.55 O HETATM 2600 O HOH A 325 12.779 -30.037 6.233 1.00 17.76 O HETATM 2601 O HOH A 326 22.356 -23.578 8.731 1.00 17.16 O HETATM 2602 O HOH A 327 25.525 -25.190 10.261 1.00 20.37 O HETATM 2603 O HOH A 328 22.312 -32.970 10.558 1.00 20.90 O HETATM 2604 O HOH A 329 11.649 -9.565 -5.346 1.00 17.96 O HETATM 2605 O HOH A 330 19.797 -17.319 0.258 1.00 20.01 O HETATM 2606 O HOH A 331 13.330 -35.269 20.270 1.00 19.81 O HETATM 2607 O HOH A 332 20.043 -20.765 -0.411 1.00 22.49 O HETATM 2608 O HOH A 333 22.254 -20.289 10.121 1.00 18.58 O HETATM 2609 O HOH A 334 15.187 -3.007 -2.250 1.00 22.13 O HETATM 2610 O HOH A 335 23.860 -26.451 12.984 1.00 14.90 O HETATM 2611 O HOH A 336 26.356 -24.180 12.591 1.00 21.57 O HETATM 2612 O HOH A 337 14.480 -2.531 12.382 1.00 19.49 O HETATM 2613 O HOH A 338 1.338 -4.648 -0.328 1.00 24.92 O HETATM 2614 O HOH A 339 29.308 -26.547 9.704 1.00 21.32 O HETATM 2615 O HOH A 340 8.471 -10.992 14.693 1.00 21.37 O HETATM 2616 O HOH A 341 -3.606 -10.562 -2.903 1.00 25.60 O HETATM 2617 O HOH A 342 12.751 6.312 8.569 1.00 18.55 O HETATM 2618 O HOH A 343 20.917 -20.499 6.507 1.00 17.78 O HETATM 2619 O HOH A 344 22.814 -22.827 15.316 1.00 19.16 O HETATM 2620 O HOH A 345 23.048 -21.328 4.872 1.00 20.83 O HETATM 2621 O HOH A 346 9.054 -25.935 1.559 1.00 22.01 O HETATM 2622 O HOH A 347 31.726 -28.975 10.758 1.00 24.73 O HETATM 2623 O HOH A 348 -0.766 -2.116 5.466 1.00 20.85 O HETATM 2624 O HOH A 349 13.806 6.591 14.258 1.00 24.42 O HETATM 2625 O HOH A 350 8.982 -23.180 -2.140 1.00 28.04 O HETATM 2626 O HOH A 351 6.943 -27.325 2.227 1.00 25.55 O HETATM 2627 O HOH A 352 31.798 -29.643 13.407 1.00 20.88 O HETATM 2628 O HOH A 353 4.141 -17.524 19.324 1.00 21.72 O HETATM 2629 O HOH A 354 0.443 -26.813 5.339 1.00 22.88 O HETATM 2630 O HOH A 355 9.277 -28.130 27.278 1.00 21.74 O HETATM 2631 O HOH A 356 22.814 -37.552 17.549 1.00 29.42 O HETATM 2632 O HOH A 357 -6.064 -14.318 -0.993 1.00 25.95 O HETATM 2633 O HOH A 358 8.773 -16.170 19.838 1.00 25.68 O HETATM 2634 O HOH A 359 9.166 -31.335 23.811 1.00 27.32 O HETATM 2635 O HOH A 360 13.850 1.571 8.383 1.00 22.93 O HETATM 2636 O HOH A 361 -1.640 -22.737 13.918 1.00 23.82 O HETATM 2637 O HOH A 362 0.062 -28.922 10.765 1.00 32.36 O HETATM 2638 O HOH A 363 22.368 -13.857 17.673 1.00 23.42 O HETATM 2639 O HOH A 364 32.774 -30.027 8.632 1.00 32.14 O HETATM 2640 O HOH A 365 17.003 -37.806 15.806 1.00 27.95 O HETATM 2641 O HOH A 366 2.676 -20.006 19.046 1.00 21.47 O HETATM 2642 O HOH A 367 -6.055 -10.364 1.036 1.00 22.80 O HETATM 2643 O HOH A 368 -4.334 -4.552 8.216 1.00 27.70 O HETATM 2644 O HOH A 369 3.760 5.636 4.962 1.00 22.14 O HETATM 2645 O HOH A 370 9.586 -30.534 20.994 1.00 27.53 O HETATM 2646 O HOH A 371 15.547 -26.201 0.219 1.00 24.49 O HETATM 2647 O HOH A 372 20.195 -33.395 5.631 1.00 22.75 O HETATM 2648 O HOH A 373 13.851 -39.634 10.146 1.00 29.46 O HETATM 2649 O HOH A 374 31.358 -26.320 13.498 1.00 24.66 O HETATM 2650 O HOH A 375 0.272 -12.005 17.839 1.00 35.72 O HETATM 2651 O HOH A 376 2.502 -17.650 21.929 1.00 24.14 O HETATM 2652 O HOH A 377 3.713 -5.115 -2.182 1.00 22.78 O HETATM 2653 O HOH A 378 -1.582 0.049 6.707 1.00 28.86 O HETATM 2654 O HOH A 379 27.627 -4.002 -1.934 1.00 25.87 O HETATM 2655 O HOH A 380 11.171 -32.315 6.555 1.00 23.66 O HETATM 2656 O HOH A 381 12.341 -16.949 -1.910 1.00 28.66 O HETATM 2657 O HOH A 382 -4.161 -19.780 0.795 1.00 25.46 O HETATM 2658 O HOH A 383 14.333 -1.326 3.336 1.00 23.13 O HETATM 2659 O HOH A 384 -1.152 3.139 12.129 1.00 34.65 O HETATM 2660 O HOH A 385 8.269 -14.280 17.841 1.00 27.01 O HETATM 2661 O HOH A 386 20.520 -35.634 9.960 1.00 27.65 O HETATM 2662 O HOH A 387 11.279 -28.652 19.754 1.00 25.01 O HETATM 2663 O HOH A 388 18.498 -25.413 21.185 1.00 26.96 O HETATM 2664 O HOH A 389 11.060 -34.622 21.561 1.00 28.79 O HETATM 2665 O HOH A 390 -4.732 -17.256 2.300 1.00 23.63 O HETATM 2666 O HOH A 391 13.646 -21.939 -1.337 1.00 29.82 O HETATM 2667 O HOH A 392 -5.614 -7.680 0.934 1.00 29.90 O HETATM 2668 O HOH A 393 6.315 -4.517 14.264 1.00 29.52 O HETATM 2669 O HOH A 394 5.548 -10.101 14.742 1.00 35.03 O HETATM 2670 O HOH A 395 0.942 -25.295 3.461 1.00 30.01 O HETATM 2671 O HOH A 396 12.965 -34.492 15.968 1.00 32.24 O HETATM 2672 O HOH A 397 2.506 -28.137 18.153 1.00 30.50 O HETATM 2673 O HOH A 398 12.239 -33.808 23.348 0.50 17.61 O HETATM 2674 O HOH A 399 -1.029 -16.492 -5.664 1.00 28.31 O HETATM 2675 O HOH A 400 23.172 -4.453 0.937 1.00 27.77 O HETATM 2676 O HOH A 401 -1.495 -23.174 23.660 1.00 37.87 O HETATM 2677 O HOH A 402 -5.111 -18.180 19.929 1.00 32.29 O HETATM 2678 O HOH A 403 14.356 -25.056 -1.754 1.00 32.55 O HETATM 2679 O HOH A 404 -9.143 -10.246 5.046 1.00 31.63 O HETATM 2680 O HOH A 405 -5.054 -4.573 10.888 1.00 33.79 O HETATM 2681 O HOH A 406 7.554 -23.939 28.620 1.00 33.34 O HETATM 2682 O HOH A 407 25.199 -8.218 11.996 1.00 34.25 O HETATM 2683 O HOH A 408 4.754 -2.458 -1.725 1.00 14.90 O HETATM 2684 O HOH A 409 5.564 -0.765 0.829 1.00 21.41 O HETATM 2685 O HOH A 410 23.315 -23.667 -1.569 1.00 35.49 O HETATM 2686 O HOH A 411 1.351 -9.257 14.195 1.00 29.35 O HETATM 2687 O HOH B 301 16.883 -6.307 22.796 1.00 9.84 O HETATM 2688 O HOH B 302 13.212 -2.864 28.646 1.00 12.25 O HETATM 2689 O HOH B 303 15.237 -1.844 34.825 1.00 14.22 O HETATM 2690 O HOH B 304 20.608 8.975 19.134 1.00 16.67 O HETATM 2691 O HOH B 305 13.093 5.153 16.365 1.00 14.68 O HETATM 2692 O HOH B 306 11.986 -5.814 31.378 1.00 13.08 O HETATM 2693 O HOH B 307 14.524 -4.614 41.295 1.00 14.54 O HETATM 2694 O HOH B 308 13.949 -13.850 17.595 1.00 16.47 O HETATM 2695 O HOH B 309 24.209 -9.886 20.181 1.00 17.52 O HETATM 2696 O HOH B 310 10.403 9.967 21.059 1.00 14.32 O HETATM 2697 O HOH B 311 21.854 -4.258 37.270 1.00 13.13 O HETATM 2698 O HOH B 312 18.514 -12.176 22.190 1.00 18.66 O HETATM 2699 O HOH B 313 19.082 2.240 35.021 1.00 20.10 O HETATM 2700 O HOH B 314 25.392 0.136 6.330 1.00 15.47 O HETATM 2701 O HOH B 315 9.416 -8.080 14.479 1.00 16.36 O HETATM 2702 O HOH B 316 23.835 -4.915 39.032 1.00 17.01 O HETATM 2703 O HOH B 317 4.451 0.632 33.945 1.00 17.97 O HETATM 2704 O HOH B 318 28.393 5.776 30.473 1.00 21.57 O HETATM 2705 O HOH B 319 16.560 -6.078 13.062 1.00 17.15 O HETATM 2706 O HOH B 320 20.861 -9.315 45.967 1.00 17.01 O HETATM 2707 O HOH B 321 25.071 -8.090 16.631 1.00 19.38 O HETATM 2708 O HOH B 322 11.622 -9.373 30.695 1.00 20.19 O HETATM 2709 O HOH B 323 8.869 -8.126 33.371 1.00 21.52 O HETATM 2710 O HOH B 324 22.927 13.365 23.508 0.50 14.96 O HETATM 2711 O HOH B 325 13.946 -5.056 13.353 1.00 16.43 O HETATM 2712 O HOH B 326 8.860 7.127 31.801 1.00 17.36 O HETATM 2713 O HOH B 327 12.831 -2.423 41.302 1.00 16.86 O HETATM 2714 O HOH B 328 21.510 -6.475 46.124 1.00 18.29 O HETATM 2715 O HOH B 329 11.782 -6.201 27.755 1.00 16.69 O HETATM 2716 O HOH B 330 24.923 9.589 11.970 1.00 25.30 O HETATM 2717 O HOH B 331 24.122 -4.275 41.659 1.00 20.19 O HETATM 2718 O HOH B 332 18.988 -2.280 11.126 1.00 20.84 O HETATM 2719 O HOH B 333 10.218 -3.332 41.050 1.00 18.22 O HETATM 2720 O HOH B 334 21.728 -1.077 40.920 1.00 21.14 O HETATM 2721 O HOH B 335 23.470 -16.880 32.944 1.00 19.72 O HETATM 2722 O HOH B 336 11.468 -11.830 29.292 1.00 19.34 O HETATM 2723 O HOH B 337 27.843 6.877 5.341 1.00 23.04 O HETATM 2724 O HOH B 338 10.256 -6.029 41.856 1.00 19.86 O HETATM 2725 O HOH B 339 17.747 8.850 12.113 1.00 21.57 O HETATM 2726 O HOH B 340 17.003 -2.670 12.851 1.00 19.07 O HETATM 2727 O HOH B 341 30.010 -13.933 21.870 1.00 27.68 O HETATM 2728 O HOH B 342 30.779 -10.949 17.660 1.00 25.52 O HETATM 2729 O HOH B 343 21.499 -1.829 38.319 1.00 20.95 O HETATM 2730 O HOH B 344 35.508 7.842 26.500 1.00 27.80 O HETATM 2731 O HOH B 345 19.043 0.241 10.210 1.00 18.68 O HETATM 2732 O HOH B 346 33.186 10.290 23.522 1.00 28.18 O HETATM 2733 O HOH B 347 31.542 3.927 29.115 1.00 23.23 O HETATM 2734 O HOH B 348 26.282 2.997 32.220 1.00 19.68 O HETATM 2735 O HOH B 349 21.773 11.436 19.426 1.00 23.14 O HETATM 2736 O HOH B 350 18.449 0.987 7.351 1.00 22.74 O HETATM 2737 O HOH B 351 31.596 7.590 12.690 1.00 25.89 O HETATM 2738 O HOH B 352 10.951 -1.544 29.044 1.00 26.44 O HETATM 2739 O HOH B 353 26.998 8.061 9.285 1.00 33.89 O HETATM 2740 O HOH B 354 18.822 -15.195 43.174 1.00 27.52 O HETATM 2741 O HOH B 355 11.121 -0.904 19.725 1.00 23.39 O HETATM 2742 O HOH B 356 31.780 -7.244 14.489 1.00 24.70 O HETATM 2743 O HOH B 357 36.468 1.166 23.180 1.00 22.34 O HETATM 2744 O HOH B 358 8.049 -2.179 42.380 1.00 22.30 O HETATM 2745 O HOH B 359 27.769 -8.070 15.511 1.00 25.73 O HETATM 2746 O HOH B 360 37.956 -6.213 23.819 1.00 22.66 O HETATM 2747 O HOH B 361 9.886 0.735 21.448 1.00 21.08 O HETATM 2748 O HOH B 362 28.637 3.093 -0.520 1.00 26.50 O HETATM 2749 O HOH B 363 12.561 -9.797 39.855 1.00 26.99 O HETATM 2750 O HOH B 364 36.340 4.838 14.247 1.00 28.53 O HETATM 2751 O HOH B 365 31.577 -16.467 21.182 1.00 29.80 O HETATM 2752 O HOH B 366 11.342 -13.016 16.903 1.00 25.88 O HETATM 2753 O HOH B 367 16.913 1.598 36.396 1.00 23.44 O HETATM 2754 O HOH B 368 22.184 -11.101 18.476 1.00 24.68 O HETATM 2755 O HOH B 369 37.975 6.540 19.557 1.00 28.77 O HETATM 2756 O HOH B 370 31.650 -14.275 24.004 1.00 27.18 O HETATM 2757 O HOH B 371 39.286 5.182 17.471 1.00 29.79 O HETATM 2758 O HOH B 372 15.795 0.219 10.452 1.00 25.39 O HETATM 2759 O HOH B 373 33.215 0.596 32.348 1.00 28.72 O HETATM 2760 O HOH B 374 33.548 2.452 9.032 1.00 26.83 O HETATM 2761 O HOH B 375 9.284 -3.495 29.854 1.00 29.32 O HETATM 2762 O HOH B 376 33.965 -1.792 33.376 1.00 26.39 O HETATM 2763 O HOH B 377 26.725 -3.226 41.896 1.00 31.85 O HETATM 2764 O HOH B 378 12.770 9.442 22.356 1.00 29.19 O HETATM 2765 O HOH B 379 25.305 1.217 34.023 1.00 26.17 O HETATM 2766 O HOH B 380 19.563 11.606 22.590 1.00 29.35 O HETATM 2767 O HOH B 381 19.530 2.377 2.138 1.00 30.58 O HETATM 2768 O HOH B 382 29.643 -22.558 34.096 1.00 31.97 O HETATM 2769 O HOH B 383 11.065 -8.743 26.384 1.00 28.38 O HETATM 2770 O HOH B 384 32.334 -14.703 32.365 1.00 33.97 O HETATM 2771 O HOH B 385 24.401 5.303 32.353 1.00 38.31 O HETATM 2772 O HOH B 386 41.611 -1.264 20.622 1.00 36.26 O HETATM 2773 O HOH B 387 36.024 -9.498 27.423 1.00 29.74 O HETATM 2774 O HOH B 388 14.491 7.345 22.079 1.00 26.45 O CONECT 80 894 CONECT 289 813 CONECT 485 647 CONECT 647 485 CONECT 813 289 CONECT 894 80 CONECT 1313 2131 CONECT 1522 2050 CONECT 1719 1890 CONECT 1890 1719 CONECT 2050 1522 CONECT 2131 1313 CONECT 2492 2493 2494 2495 2496 CONECT 2493 2492 CONECT 2494 2492 CONECT 2495 2492 CONECT 2496 2492 CONECT 2497 2498 2499 2500 2501 CONECT 2498 2497 CONECT 2499 2497 CONECT 2500 2497 CONECT 2501 2497 CONECT 2502 2503 2504 2505 2506 CONECT 2503 2502 CONECT 2504 2502 CONECT 2505 2502 CONECT 2506 2502 CONECT 2507 2508 2509 CONECT 2508 2507 CONECT 2509 2507 2510 CONECT 2510 2509 2511 CONECT 2511 2510 2512 CONECT 2512 2511 2513 CONECT 2513 2512 CONECT 2514 2515 2516 CONECT 2515 2514 CONECT 2516 2514 2517 2518 CONECT 2517 2516 CONECT 2518 2516 2519 CONECT 2519 2518 CONECT 2520 2521 2522 CONECT 2521 2520 CONECT 2522 2520 2523 CONECT 2523 2522 CONECT 2524 2525 2526 CONECT 2525 2524 CONECT 2526 2524 2527 CONECT 2527 2526 CONECT 2528 2529 2530 CONECT 2529 2528 CONECT 2530 2528 2531 CONECT 2531 2530 2532 CONECT 2532 2531 2533 CONECT 2533 2532 2534 CONECT 2534 2533 CONECT 2535 2536 2537 2538 2539 CONECT 2536 2535 CONECT 2537 2535 CONECT 2538 2535 CONECT 2539 2535 CONECT 2540 2541 2542 2543 2544 CONECT 2541 2540 CONECT 2542 2540 CONECT 2543 2540 CONECT 2544 2540 CONECT 2545 2546 2547 CONECT 2546 2545 CONECT 2547 2545 2548 CONECT 2548 2547 2549 CONECT 2549 2548 2550 CONECT 2550 2549 2551 CONECT 2551 2550 CONECT 2552 2553 2554 2555 2556 CONECT 2553 2552 CONECT 2554 2552 CONECT 2555 2552 CONECT 2556 2552 CONECT 2557 2558 2559 CONECT 2558 2557 CONECT 2559 2557 2560 CONECT 2560 2559 CONECT 2561 2562 2563 CONECT 2562 2561 CONECT 2563 2561 2564 CONECT 2564 2563 CONECT 2565 2566 2567 2568 CONECT 2566 2565 CONECT 2567 2565 CONECT 2568 2565 CONECT 2569 2570 2571 CONECT 2570 2569 CONECT 2571 2569 2572 CONECT 2572 2571 2573 CONECT 2573 2572 2574 CONECT 2574 2573 2575 CONECT 2575 2574 END