USER MOD reduce.3.24.130724 H: found=0, std=0, add=1115, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER DNA BINDING PROTEIN 20-JUN-05 2A1J TITLE CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN THE C-TERMINAL TITLE 2 DOMAINS OF HUMAN XPF AND ERCC1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA REPAIR ENDONUCLEASE XPF; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: C-TERMINAL DOMAIN; COMPND 5 SYNONYM: DNA EXCISION REPAIR PROTEIN ERCC-4, DNA-REPAIR COMPND 6 PROTEIN COMPLEMENTING XP-F CELL, XERODERMA PIGMENTOSUM COMPND 7 GROUP F COMPLEMENTING PROTEIN; COMPND 8 EC: 3.1.-.-; COMPND 9 ENGINEERED: YES; COMPND 0 MOL_ID: 2; COMPND 1 MOLECULE: DNA EXCISION REPAIR PROTEIN ERCC-1; COMPND 2 CHAIN: B; COMPND 3 FRAGMENT: C-TERMINAL DOMAIN; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: ERCC4, ERCC11, XPF; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3/RIL); SOURCE 9 MOL_ID: 2; SOURCE 0 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 1 ORGANISM_COMMON: HUMAN; SOURCE 2 ORGANISM_TAXID: 9606; SOURCE 3 GENE: ERCC1; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS XPF, ERCC1, XERODERMA PIGMENTOSUM, NER, DNA REPAIR, KEYWDS 2 ENDONUCLEASE, HELIX-HAIRPIN-HELIX, DNA BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR O.V.TSODIKOV,J.H.ENZLIN,O.D.SCHARER,T.ELLENBERGER REVDAT 2 24-FEB-09 2A1J 1 VERSN REVDAT 1 02-AUG-05 2A1J 0 JRNL AUTH O.V.TSODIKOV,J.H.ENZLIN,O.D.SCHARER,T.ELLENBERGER JRNL TITL CRYSTAL STRUCTURE AND DNA BINDING FUNCTIONS OF JRNL TITL 2 ERCC1, A SUBUNIT OF THE DNA STRUCTURE-SPECIFIC JRNL TITL 3 ENDONUCLEASE XPF-ERCC1. JRNL REF PROC.NATL.ACAD.SCI.USA V. 102 11236 2005 JRNL REFN ISSN 0027-8424 JRNL PMID 16076955 JRNL DOI 10.1073/PNAS.0504341102 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.1.24 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) : 2.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 34.71 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 7812 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) : 0.241 REMARK 3 R VALUE (WORKING SET) : 0.239 REMARK 3 FREE R VALUE : 0.275 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.500 REMARK 3 FREE R VALUE TEST SET COUNT : 372 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) : 2.70 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.77 REMARK 3 REFLECTION IN BIN (WORKING SET) : 550 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.3620 REMARK 3 BIN FREE R VALUE SET COUNT : 36 REMARK 3 BIN FREE R VALUE : 0.4990 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1093 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 1 REMARK 3 SOLVENT ATOMS : 0 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 54.89 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 1.74000 REMARK 3 B22 (A**2) : 1.74000 REMARK 3 B33 (A**2) : -2.61000 REMARK 3 B12 (A**2) : 0.87000 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): 0.372 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.283 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.232 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 12.001 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.924 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.923 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1122 ; 0.022 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1537 ; 2.123 ; 1.980 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 145 ; 9.365 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 188 ; 0.132 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 806 ; 0.007 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 534 ; 0.283 ; 0.200 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): 22 ; 0.174 ; 0.200 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): 22 ; 0.292 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 1 ; 0.056 ; 0.200 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): 717 ; 0.955 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1151 ; 1.971 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 405 ; 3.115 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 365 ; 5.379 ; 4.500 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : BABINET MODEL WITH 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: NULL REMARK 4 REMARK 4 2A1J COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 27-JUN-05. REMARK 100 THE RCSB ID CODE IS RCSB033375. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 20-NOV-04 REMARK 200 TEMPERATURE (KELVIN) : 116 REMARK 200 PH : 4.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 19-ID REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.00696, 1.00930 REMARK 200 MONOCHROMATOR : SI 111 REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 8442 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.700 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.70 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.80 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.4 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MAD REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: SOLVE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 70.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.20 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: SODIUM CITRATE, AMMONIUM SULFATE, REMARK 280 SODIUM CHLORIDE, PH 4.5, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 295K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 1 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 -Y,-X,-Z+1/3 REMARK 290 5555 -X+Y,Y,-Z+2/3 REMARK 290 6555 X,X-Y,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -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 69.40600 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 34.70300 REMARK 290 SMTRY1 4 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 34.70300 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 69.40600 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 0.00000 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2350 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 8100 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -49.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 7120 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 13790 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -115.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 0.500000 0.866025 0.000000 0.00000 REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 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 MET A 836 REMARK 465 MET B 206 REMARK 465 GLY B 207 REMARK 465 SER B 208 REMARK 465 SER B 209 REMARK 465 HIS B 210 REMARK 465 HIS B 211 REMARK 465 HIS B 212 REMARK 465 HIS B 213 REMARK 465 HIS B 214 REMARK 465 HIS B 215 REMARK 465 SER B 216 REMARK 465 GLN B 217 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASP A 871 CB - CG - OD2 ANGL. DEV. = 5.9 DEGREES REMARK 500 ASP B 221 CB - CG - OD2 ANGL. DEV. = 5.8 DEGREES REMARK 500 SER B 244 CB - CA - C ANGL. DEV. = 14.7 DEGREES REMARK 500 ASN B 246 N - CA - CB ANGL. DEV. = -11.1 DEGREES REMARK 500 ASP B 249 CB - CG - OD2 ANGL. DEV. = 6.1 DEGREES REMARK 500 ASP B 270 CB - CG - OD2 ANGL. DEV. = 6.4 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 895 27.21 165.25 REMARK 500 GLU A 896 -108.68 -105.92 REMARK 500 VAL A 897 11.11 43.45 REMARK 500 PRO B 219 -82.34 -59.61 REMARK 500 ALA B 220 46.04 -141.78 REMARK 500 SER B 244 89.55 -4.24 REMARK 500 ALA B 265 -9.32 -53.59 REMARK 500 LEU B 277 119.51 92.11 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 ALA B 220 ASP B 221 143.22 REMARK 500 GLY B 278 PRO B 279 137.87 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HG B 1 HG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 PRO B 275 O REMARK 620 2 CYS B 274 SG 92.3 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HG B 1 DBREF 2A1J A 837 898 UNP Q92889 ERCC4_HUMAN 837 898 DBREF 2A1J B 220 296 UNP P07992 ERCC1_HUMAN 220 296 SEQADV 2A1J MET A 836 UNP Q92889 CLONING ARTIFACT SEQADV 2A1J MET B 206 UNP P07992 CLONING ARTIFACT SEQADV 2A1J GLY B 207 UNP P07992 CLONING ARTIFACT SEQADV 2A1J SER B 208 UNP P07992 CLONING ARTIFACT SEQADV 2A1J SER B 209 UNP P07992 CLONING ARTIFACT SEQADV 2A1J HIS B 210 UNP P07992 EXPRESSION TAG SEQADV 2A1J HIS B 211 UNP P07992 EXPRESSION TAG SEQADV 2A1J HIS B 212 UNP P07992 EXPRESSION TAG SEQADV 2A1J HIS B 213 UNP P07992 EXPRESSION TAG SEQADV 2A1J HIS B 214 UNP P07992 EXPRESSION TAG SEQADV 2A1J HIS B 215 UNP P07992 EXPRESSION TAG SEQADV 2A1J SER B 216 UNP P07992 CLONING ARTIFACT SEQADV 2A1J GLN B 217 UNP P07992 CLONING ARTIFACT SEQADV 2A1J ASP B 218 UNP P07992 CLONING ARTIFACT SEQADV 2A1J PRO B 219 UNP P07992 CLONING ARTIFACT SEQRES 1 A 63 MET PRO GLN ASP PHE LEU LEU LYS MET PRO GLY VAL ASN SEQRES 2 A 63 ALA LYS ASN CYS ARG SER LEU MET HIS HIS VAL LYS ASN SEQRES 3 A 63 ILE ALA GLU LEU ALA ALA LEU SER GLN ASP GLU LEU THR SEQRES 4 A 63 SER ILE LEU GLY ASN ALA ALA ASN ALA LYS GLN LEU TYR SEQRES 5 A 63 ASP PHE ILE HIS THR SER PHE ALA GLU VAL VAL SEQRES 1 B 91 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER GLN ASP SEQRES 2 B 91 PRO ALA ASP LEU LEU MET GLU LYS LEU GLU GLN ASP PHE SEQRES 3 B 91 VAL SER ARG VAL THR GLU CYS LEU THR THR VAL LYS SER SEQRES 4 B 91 VAL ASN LYS THR ASP SER GLN THR LEU LEU THR THR PHE SEQRES 5 B 91 GLY SER LEU GLU GLN LEU ILE ALA ALA SER ARG GLU ASP SEQRES 6 B 91 LEU ALA LEU CYS PRO GLY LEU GLY PRO GLN LYS ALA ARG SEQRES 7 B 91 ARG LEU PHE ASP VAL LEU HIS GLU PRO PHE LEU LYS VAL HET HG B 1 1 HETNAM HG MERCURY (II) ION FORMUL 3 HG HG 2+ HELIX 1 1 GLN A 838 LYS A 843 1 6 HELIX 2 2 ASN A 848 VAL A 859 1 12 HELIX 3 3 ASN A 861 ALA A 867 1 7 HELIX 4 4 SER A 869 GLY A 878 1 10 HELIX 5 5 ASN A 879 THR A 892 1 14 HELIX 6 6 ALA B 220 THR B 240 1 21 HELIX 7 7 ASN B 246 GLY B 258 1 13 HELIX 8 8 SER B 259 ALA B 265 1 7 HELIX 9 9 SER B 267 LEU B 273 1 7 HELIX 10 10 PRO B 279 GLU B 291 1 13 LINK HG HG B 1 O PRO B 275 1555 1555 3.23 LINK HG HG B 1 SG CYS B 274 1555 1555 2.19 SITE *** AC1 3 THR B 252 CYS B 274 PRO B 275 CRYST1 69.848 69.848 104.109 90.00 90.00 120.00 P 32 1 2 6 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.014317 0.008266 0.000000 0.00000 SCALE2 0.000000 0.016532 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009605 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 256 THR OG1 : rot 79:sc= 1.03 USER MOD Set 1.2: B 274 CYS SG : rot 130:sc= -3.08! USER MOD Set 2.1: B 236 THR OG1 : rot -76:sc= 0.955 USER MOD Set 2.2: B 250 SER OG : rot -18:sc= 1.29 USER MOD Set 3.1: B 246 ASN : amide:sc= 0.00955 K(o=0.0096,f=-0.91) USER MOD Set 3.2: B 248 THR OG1 : rot 180:sc= 0 USER MOD Single : A 838 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 843 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 844 MET CE :methyl 169:sc=-0.00339 (180deg=-0.0757) USER MOD Single : A 848 ASN :FLIP amide:sc= -1.2 F(o=-3.1,f=-1.2) USER MOD Single : A 850 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 851 ASN :FLIP amide:sc= 0.0822 F(o=-11!,f=0.082) USER MOD Single : A 852 CYS SG : rot 46:sc= 0.524 USER MOD Single : A 854 SER OG : rot 180:sc= 0 USER MOD Single : A 856 MET CE :methyl -178:sc= -0.443 (180deg=-0.515) USER MOD Single : A 857 HIS : no HD1:sc= -0.0707 X(o=-0.071,f=-0.27) USER MOD Single : A 858 HIS : no HD1:sc= -0.255 X(o=-0.26,f=0) USER MOD Single : A 860 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 861 ASN :FLIP amide:sc= 0.396 F(o=-4.2!,f=0.4) USER MOD Single : A 869 SER OG : rot 180:sc= 0 USER MOD Single : A 870 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.4!) USER MOD Single : A 874 THR OG1 : rot 68:sc= 0.332 USER MOD Single : A 875 SER OG : rot 180:sc= 0 USER MOD Single : A 879 ASN : amide:sc= -0.199 K(o=-0.2,f=-6.1!) USER MOD Single : A 882 ASN : amide:sc= -0.0382 K(o=-0.038,f=-1.6!) USER MOD Single : A 884 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 885 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.39) USER MOD Single : A 887 TYR OH : rot 180:sc= 0 USER MOD Single : A 891 HIS : no HE2:sc= 0.0608 K(o=0.061,f=-0.94) USER MOD Single : A 892 THR OG1 : rot 90:sc= 1.31 USER MOD Single : A 893 SER OG : rot 180:sc= 0 USER MOD Single : B 224 MET CE :methyl -155:sc= -0.012 (180deg=-0.759) USER MOD Single : B 226 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 229 GLN : amide:sc= -0.113 K(o=-0.11,f=-1) USER MOD Single : B 233 SER OG : rot 180:sc= 0 USER MOD Single : B 238 CYS SG : rot 138:sc= 0.416 USER MOD Single : B 240 THR OG1 : rot -71:sc= 1.21 USER MOD Single : B 241 THR OG1 : rot 180:sc= 0 USER MOD Single : B 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 244 SER OG : rot 180:sc= 0 USER MOD Single : B 247 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 251 GLN :FLIP amide:sc= -4.78! C(o=-6.8!,f=-4.8!) USER MOD Single : B 252 THR OG1 : rot 83:sc= 0.845 USER MOD Single : B 255 THR OG1 : rot -77:sc= 0.0489 USER MOD Single : B 259 SER OG : rot 180:sc= 0.0435 USER MOD Single : B 262 GLN : amide:sc= -0.273 K(o=-0.27,f=-1.2) USER MOD Single : B 267 SER OG : rot 180:sc= 0.0159 USER MOD Single : B 280 GLN :FLIP amide:sc= -2.98! C(o=-8.1!,f=-3!) USER MOD Single : B 281 LYS NZ :NH3+ -151:sc= 0.967 (180deg=0.414) USER MOD Single : B 290 HIS :FLIP no HE2:sc= -0.503 F(o=-2,f=-0.5) USER MOD Single : B 295 LYS NZ :NH3+ -151:sc= -0.256 (180deg=-1.52!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 837 21.835 -13.848 0.912 1.00 69.39 N ATOM 2 CA PRO A 837 20.493 -14.392 1.287 1.00 69.19 C ATOM 3 C PRO A 837 20.491 -14.993 2.670 1.00 69.44 C ATOM 4 O PRO A 837 19.485 -15.591 3.042 1.00 69.67 O ATOM 5 CB PRO A 837 20.243 -15.501 0.259 1.00 68.55 C ATOM 6 CG PRO A 837 21.553 -15.901 -0.137 1.00 69.34 C ATOM 7 CD PRO A 837 22.476 -14.664 -0.124 1.00 69.60 C ATOM 0 HA PRO A 837 19.819 -13.694 1.291 1.00 69.19 H new ATOM 0 HB2 PRO A 837 19.747 -16.240 0.646 1.00 68.55 H new ATOM 0 HB3 PRO A 837 19.727 -15.177 -0.495 1.00 68.55 H new ATOM 0 HG2 PRO A 837 21.893 -16.580 0.466 1.00 69.34 H new ATOM 0 HG3 PRO A 837 21.531 -16.294 -1.024 1.00 69.34 H new ATOM 0 HD2 PRO A 837 23.391 -14.891 0.102 1.00 69.60 H new ATOM 0 HD3 PRO A 837 22.499 -14.214 -0.983 1.00 69.60 H new ATOM 8 N GLN A 838 21.596 -14.867 3.400 1.00 69.70 N ATOM 9 CA GLN A 838 21.663 -15.353 4.781 1.00 69.94 C ATOM 10 C GLN A 838 21.884 -14.110 5.583 1.00 69.00 C ATOM 11 O GLN A 838 21.537 -14.019 6.771 1.00 68.83 O ATOM 12 CB GLN A 838 22.820 -16.346 4.989 1.00 70.68 C ATOM 13 CG GLN A 838 24.265 -15.757 4.823 1.00 74.25 C ATOM 14 CD GLN A 838 25.328 -16.815 4.401 1.00 77.53 C ATOM 15 OE1 GLN A 838 25.221 -17.423 3.312 1.00 77.61 O ATOM 16 NE2 GLN A 838 26.344 -17.025 5.264 1.00 75.57 N ATOM 0 H GLN A 838 22.321 -14.502 3.116 1.00 69.70 H new ATOM 0 HA GLN A 838 20.862 -15.838 5.035 1.00 69.94 H new ATOM 0 HB2 GLN A 838 22.743 -16.724 5.879 1.00 70.68 H new ATOM 0 HB3 GLN A 838 22.713 -17.077 4.361 1.00 70.68 H new ATOM 0 HG2 GLN A 838 24.243 -15.050 4.159 1.00 74.25 H new ATOM 0 HG3 GLN A 838 24.539 -15.352 5.661 1.00 74.25 H new ATOM 0 HE21 GLN A 838 26.379 -16.585 6.002 1.00 75.57 H new ATOM 0 HE22 GLN A 838 26.956 -17.599 5.076 1.00 75.57 H new ATOM 17 N ASP A 839 22.493 -13.153 4.901 1.00 67.74 N ATOM 18 CA ASP A 839 22.499 -11.784 5.355 1.00 66.86 C ATOM 19 C ASP A 839 21.068 -11.283 5.639 1.00 64.56 C ATOM 20 O ASP A 839 20.821 -10.672 6.686 1.00 64.00 O ATOM 21 CB ASP A 839 23.162 -10.949 4.278 1.00 68.23 C ATOM 22 CG ASP A 839 24.659 -10.907 4.439 1.00 72.23 C ATOM 23 OD1 ASP A 839 25.334 -11.922 4.081 1.00 74.66 O ATOM 24 OD2 ASP A 839 25.228 -9.892 4.935 1.00 76.38 O ATOM 0 H ASP A 839 22.913 -13.284 4.162 1.00 67.74 H new ATOM 0 HA ASP A 839 22.989 -11.711 6.189 1.00 66.86 H new ATOM 0 HB2 ASP A 839 22.941 -11.312 3.406 1.00 68.23 H new ATOM 0 HB3 ASP A 839 22.809 -10.046 4.307 1.00 68.23 H new ATOM 25 N PHE A 840 20.146 -11.559 4.703 1.00 61.83 N ATOM 26 CA PHE A 840 18.726 -11.285 4.871 1.00 59.39 C ATOM 27 C PHE A 840 18.240 -12.035 6.102 1.00 58.78 C ATOM 28 O PHE A 840 17.722 -11.456 7.056 1.00 58.46 O ATOM 29 CB PHE A 840 17.943 -11.685 3.609 1.00 58.33 C ATOM 30 CG PHE A 840 16.485 -11.217 3.588 1.00 56.78 C ATOM 31 CD1 PHE A 840 16.085 -10.153 2.772 1.00 55.01 C ATOM 32 CD2 PHE A 840 15.501 -11.861 4.348 1.00 55.91 C ATOM 33 CE1 PHE A 840 14.762 -9.734 2.739 1.00 52.52 C ATOM 34 CE2 PHE A 840 14.165 -11.425 4.324 1.00 53.69 C ATOM 35 CZ PHE A 840 13.807 -10.362 3.525 1.00 52.40 C ATOM 0 H PHE A 840 20.340 -11.916 3.945 1.00 61.83 H new ATOM 0 HA PHE A 840 18.578 -10.335 4.999 1.00 59.39 H new ATOM 0 HB2 PHE A 840 18.398 -11.323 2.832 1.00 58.33 H new ATOM 0 HB3 PHE A 840 17.961 -12.651 3.524 1.00 58.33 H new ATOM 0 HD1 PHE A 840 16.716 -9.720 2.243 1.00 55.01 H new ATOM 0 HD2 PHE A 840 15.735 -12.589 4.877 1.00 55.91 H new ATOM 0 HE1 PHE A 840 14.514 -9.028 2.187 1.00 52.52 H new ATOM 0 HE2 PHE A 840 13.525 -11.853 4.846 1.00 53.69 H new ATOM 0 HZ PHE A 840 12.926 -10.065 3.512 1.00 52.40 H new ATOM 36 N LEU A 841 18.480 -13.333 6.091 1.00 58.74 N ATOM 37 CA LEU A 841 17.929 -14.233 7.079 1.00 58.24 C ATOM 38 C LEU A 841 18.290 -13.841 8.497 1.00 58.81 C ATOM 39 O LEU A 841 17.451 -13.882 9.387 1.00 58.70 O ATOM 40 CB LEU A 841 18.381 -15.644 6.768 1.00 57.23 C ATOM 41 CG LEU A 841 17.648 -16.675 7.595 1.00 56.09 C ATOM 42 CD1 LEU A 841 16.153 -16.471 7.569 1.00 55.32 C ATOM 43 CD2 LEU A 841 17.992 -18.005 7.064 1.00 56.00 C ATOM 0 H LEU A 841 18.973 -13.720 5.502 1.00 58.74 H new ATOM 0 HA LEU A 841 16.962 -14.180 7.029 1.00 58.24 H new ATOM 0 HB2 LEU A 841 18.239 -15.827 5.826 1.00 57.23 H new ATOM 0 HB3 LEU A 841 19.334 -15.720 6.931 1.00 57.23 H new ATOM 0 HG LEU A 841 17.921 -16.589 8.522 1.00 56.09 H new ATOM 0 HD11 LEU A 841 15.724 -17.152 8.110 1.00 55.32 H new ATOM 0 HD12 LEU A 841 15.940 -15.594 7.924 1.00 55.32 H new ATOM 0 HD13 LEU A 841 15.833 -16.536 6.656 1.00 55.32 H new ATOM 0 HD21 LEU A 841 17.533 -18.688 7.578 1.00 56.00 H new ATOM 0 HD22 LEU A 841 17.719 -18.063 6.135 1.00 56.00 H new ATOM 0 HD23 LEU A 841 18.950 -18.141 7.128 1.00 56.00 H new ATOM 44 N LEU A 842 19.526 -13.411 8.691 1.00 59.76 N ATOM 45 CA LEU A 842 20.030 -13.135 10.032 1.00 61.29 C ATOM 46 C LEU A 842 19.477 -11.862 10.666 1.00 61.80 C ATOM 47 O LEU A 842 19.442 -11.739 11.881 1.00 62.18 O ATOM 48 CB LEU A 842 21.564 -13.085 10.024 1.00 61.81 C ATOM 49 CG LEU A 842 22.364 -14.258 10.613 1.00 62.86 C ATOM 50 CD1 LEU A 842 23.309 -14.842 9.535 1.00 64.18 C ATOM 51 CD2 LEU A 842 23.150 -13.822 11.863 1.00 63.72 C ATOM 0 H LEU A 842 20.093 -13.271 8.060 1.00 59.76 H new ATOM 0 HA LEU A 842 19.714 -13.868 10.583 1.00 61.29 H new ATOM 0 HB2 LEU A 842 21.846 -12.975 9.103 1.00 61.81 H new ATOM 0 HB3 LEU A 842 21.831 -12.283 10.500 1.00 61.81 H new ATOM 0 HG LEU A 842 21.743 -14.950 10.890 1.00 62.86 H new ATOM 0 HD11 LEU A 842 23.811 -15.582 9.911 1.00 64.18 H new ATOM 0 HD12 LEU A 842 22.785 -15.157 8.782 1.00 64.18 H new ATOM 0 HD13 LEU A 842 23.923 -14.154 9.236 1.00 64.18 H new ATOM 0 HD21 LEU A 842 23.645 -14.579 12.214 1.00 63.72 H new ATOM 0 HD22 LEU A 842 23.769 -13.113 11.626 1.00 63.72 H new ATOM 0 HD23 LEU A 842 22.532 -13.499 12.537 1.00 63.72 H new ATOM 52 N LYS A 843 19.067 -10.907 9.847 1.00 62.57 N ATOM 53 CA LYS A 843 18.545 -9.656 10.358 1.00 63.21 C ATOM 54 C LYS A 843 17.066 -9.831 10.627 1.00 64.16 C ATOM 55 O LYS A 843 16.354 -8.878 10.998 1.00 64.58 O ATOM 56 CB LYS A 843 18.771 -8.545 9.347 1.00 63.02 C ATOM 57 CG LYS A 843 20.226 -8.323 8.986 1.00 63.43 C ATOM 58 CD LYS A 843 20.499 -6.871 8.670 1.00 63.41 C ATOM 59 CE LYS A 843 21.956 -6.625 8.318 1.00 63.68 C ATOM 60 NZ LYS A 843 22.606 -5.841 9.405 1.00 64.38 N ATOM 0 H LYS A 843 19.083 -10.965 8.989 1.00 62.57 H new ATOM 0 HA LYS A 843 19.002 -9.414 11.179 1.00 63.21 H new ATOM 0 HB2 LYS A 843 18.275 -8.750 8.539 1.00 63.02 H new ATOM 0 HB3 LYS A 843 18.406 -7.719 9.702 1.00 63.02 H new ATOM 0 HG2 LYS A 843 20.791 -8.608 9.721 1.00 63.43 H new ATOM 0 HG3 LYS A 843 20.459 -8.872 8.221 1.00 63.43 H new ATOM 0 HD2 LYS A 843 19.937 -6.592 7.930 1.00 63.41 H new ATOM 0 HD3 LYS A 843 20.255 -6.324 9.433 1.00 63.41 H new ATOM 0 HE2 LYS A 843 22.416 -7.470 8.196 1.00 63.68 H new ATOM 0 HE3 LYS A 843 22.019 -6.144 7.478 1.00 63.68 H new ATOM 0 HZ1 LYS A 843 23.460 -5.697 9.198 1.00 64.38 H new ATOM 0 HZ2 LYS A 843 22.188 -5.061 9.499 1.00 64.38 H new ATOM 0 HZ3 LYS A 843 22.559 -6.296 10.168 1.00 64.38 H new ATOM 61 N MET A 844 16.596 -11.052 10.397 1.00 65.17 N ATOM 62 CA MET A 844 15.230 -11.373 10.716 1.00 66.53 C ATOM 63 C MET A 844 15.140 -11.562 12.213 1.00 67.98 C ATOM 64 O MET A 844 16.066 -12.092 12.851 1.00 67.59 O ATOM 65 CB MET A 844 14.728 -12.590 9.956 1.00 66.01 C ATOM 66 CG MET A 844 14.847 -12.459 8.456 1.00 64.80 C ATOM 67 SD MET A 844 13.827 -13.680 7.625 1.00 60.63 S ATOM 68 CE MET A 844 12.318 -12.888 7.607 1.00 60.81 C ATOM 0 H MET A 844 17.054 -11.697 10.060 1.00 65.17 H new ATOM 0 HA MET A 844 14.651 -10.646 10.438 1.00 66.53 H new ATOM 0 HB2 MET A 844 15.226 -13.370 10.245 1.00 66.01 H new ATOM 0 HB3 MET A 844 13.799 -12.745 10.187 1.00 66.01 H new ATOM 0 HG2 MET A 844 14.579 -11.568 8.183 1.00 64.80 H new ATOM 0 HG3 MET A 844 15.773 -12.570 8.190 1.00 64.80 H new ATOM 0 HE1 MET A 844 11.707 -13.369 7.028 1.00 60.81 H new ATOM 0 HE2 MET A 844 11.956 -12.860 8.507 1.00 60.81 H new ATOM 0 HE3 MET A 844 12.431 -11.983 7.276 1.00 60.81 H new ATOM 69 N PRO A 845 14.050 -11.042 12.771 1.00 69.21 N ATOM 70 CA PRO A 845 13.754 -11.127 14.214 1.00 69.80 C ATOM 71 C PRO A 845 13.665 -12.566 14.764 1.00 70.03 C ATOM 72 O PRO A 845 13.042 -13.442 14.141 1.00 70.82 O ATOM 73 CB PRO A 845 12.393 -10.423 14.337 1.00 69.38 C ATOM 74 CG PRO A 845 12.341 -9.533 13.197 1.00 69.07 C ATOM 75 CD PRO A 845 13.059 -10.221 12.059 1.00 69.27 C ATOM 0 HA PRO A 845 14.468 -10.726 14.735 1.00 69.80 H new ATOM 0 HB2 PRO A 845 11.663 -11.061 14.321 1.00 69.38 H new ATOM 0 HB3 PRO A 845 12.323 -9.933 15.171 1.00 69.38 H new ATOM 0 HG2 PRO A 845 11.422 -9.340 12.955 1.00 69.07 H new ATOM 0 HG3 PRO A 845 12.763 -8.685 13.405 1.00 69.07 H new ATOM 0 HD2 PRO A 845 12.457 -10.762 11.524 1.00 69.27 H new ATOM 0 HD3 PRO A 845 13.479 -9.586 11.458 1.00 69.27 H new ATOM 76 N GLY A 846 14.317 -12.786 15.917 1.00 69.53 N ATOM 77 CA GLY A 846 14.350 -14.083 16.589 1.00 67.07 C ATOM 78 C GLY A 846 15.194 -15.132 15.881 1.00 65.00 C ATOM 79 O GLY A 846 14.968 -16.320 16.093 1.00 64.26 O ATOM 0 H GLY A 846 14.756 -12.173 16.331 1.00 69.53 H new ATOM 0 HA2 GLY A 846 14.692 -13.961 17.489 1.00 67.07 H new ATOM 0 HA3 GLY A 846 13.443 -14.415 16.673 1.00 67.07 H new ATOM 80 N VAL A 847 16.135 -14.680 15.043 1.00 63.50 N ATOM 81 CA VAL A 847 17.070 -15.518 14.298 1.00 62.40 C ATOM 82 C VAL A 847 18.440 -15.042 14.738 1.00 62.92 C ATOM 83 O VAL A 847 18.691 -13.850 14.748 1.00 62.96 O ATOM 84 CB VAL A 847 16.930 -15.353 12.733 1.00 62.15 C ATOM 85 CG1 VAL A 847 18.091 -16.008 11.981 1.00 60.06 C ATOM 86 CG2 VAL A 847 15.594 -15.870 12.216 1.00 59.58 C ATOM 0 H VAL A 847 16.246 -13.841 14.890 1.00 63.50 H new ATOM 0 HA VAL A 847 16.905 -16.457 14.478 1.00 62.40 H new ATOM 0 HB VAL A 847 16.963 -14.399 12.558 1.00 62.15 H new ATOM 0 HG11 VAL A 847 17.969 -15.885 11.027 1.00 60.06 H new ATOM 0 HG12 VAL A 847 18.926 -15.598 12.255 1.00 60.06 H new ATOM 0 HG13 VAL A 847 18.115 -16.956 12.184 1.00 60.06 H new ATOM 0 HG21 VAL A 847 15.550 -15.750 11.254 1.00 59.58 H new ATOM 0 HG22 VAL A 847 15.508 -16.813 12.428 1.00 59.58 H new ATOM 0 HG23 VAL A 847 14.872 -15.377 12.636 1.00 59.58 H new ATOM 87 N ASN A 848 19.308 -15.975 15.125 1.00 63.65 N ATOM 88 CA ASN A 848 20.642 -15.671 15.624 1.00 64.27 C ATOM 89 C ASN A 848 21.575 -16.660 15.004 1.00 65.07 C ATOM 90 O ASN A 848 21.125 -17.513 14.249 1.00 64.37 O ATOM 91 CB ASN A 848 20.714 -15.762 17.151 1.00 64.32 C ATOM 92 CG ASN A 848 20.315 -17.123 17.672 1.00 64.11 C ATOM 93 OD1 ASN A 848 21.230 -18.074 17.593 1.00 63.48 O flip ATOM 94 ND2 ASN A 848 19.199 -17.319 18.143 1.00 64.90 N flip ATOM 0 H ASN A 848 19.132 -16.817 15.103 1.00 63.65 H new ATOM 0 HA ASN A 848 20.881 -14.761 15.389 1.00 64.27 H new ATOM 0 HB2 ASN A 848 21.617 -15.561 17.441 1.00 64.32 H new ATOM 0 HB3 ASN A 848 20.134 -15.088 17.539 1.00 64.32 H new ATOM 0 HD21 ASN A 848 18.628 -16.677 18.179 1.00 64.90 H new ATOM 0 HD22 ASN A 848 18.987 -18.099 18.438 1.00 64.90 H new ATOM 95 N ALA A 849 22.869 -16.543 15.331 1.00 66.93 N ATOM 96 CA ALA A 849 23.938 -17.293 14.663 1.00 68.38 C ATOM 97 C ALA A 849 23.759 -18.810 14.848 1.00 69.88 C ATOM 98 O ALA A 849 23.816 -19.572 13.855 1.00 70.15 O ATOM 99 CB ALA A 849 25.280 -16.844 15.155 1.00 68.16 C ATOM 0 H ALA A 849 23.151 -16.020 15.953 1.00 66.93 H new ATOM 0 HA ALA A 849 23.885 -17.109 13.712 1.00 68.38 H new ATOM 0 HB1 ALA A 849 25.975 -17.348 14.705 1.00 68.16 H new ATOM 0 HB2 ALA A 849 25.394 -15.899 14.968 1.00 68.16 H new ATOM 0 HB3 ALA A 849 25.341 -16.993 16.111 1.00 68.16 H new ATOM 100 N LYS A 850 23.508 -19.221 16.106 1.00 71.09 N ATOM 101 CA LYS A 850 23.121 -20.602 16.459 1.00 72.03 C ATOM 102 C LYS A 850 22.021 -21.159 15.529 1.00 71.86 C ATOM 103 O LYS A 850 22.302 -22.057 14.737 1.00 72.23 O ATOM 104 CB LYS A 850 22.823 -20.733 17.982 1.00 72.44 C ATOM 105 CG LYS A 850 21.555 -21.509 18.427 1.00 75.01 C ATOM 106 CD LYS A 850 20.972 -20.951 19.791 1.00 77.95 C ATOM 107 CE LYS A 850 19.419 -20.617 19.699 1.00 79.24 C ATOM 108 NZ LYS A 850 18.688 -20.170 20.971 1.00 77.27 N ATOM 0 H LYS A 850 23.559 -18.697 16.786 1.00 71.09 H new ATOM 0 HA LYS A 850 23.881 -21.183 16.297 1.00 72.03 H new ATOM 0 HB2 LYS A 850 23.590 -21.159 18.397 1.00 72.44 H new ATOM 0 HB3 LYS A 850 22.764 -19.837 18.349 1.00 72.44 H new ATOM 0 HG2 LYS A 850 20.878 -21.445 17.736 1.00 75.01 H new ATOM 0 HG3 LYS A 850 21.770 -22.449 18.528 1.00 75.01 H new ATOM 0 HD2 LYS A 850 21.118 -21.604 20.493 1.00 77.95 H new ATOM 0 HD3 LYS A 850 21.458 -20.150 20.043 1.00 77.95 H new ATOM 0 HE2 LYS A 850 19.306 -19.920 19.034 1.00 79.24 H new ATOM 0 HE3 LYS A 850 18.967 -21.406 19.362 1.00 79.24 H new ATOM 0 HZ1 LYS A 850 17.832 -20.016 20.783 1.00 77.27 H new ATOM 0 HZ2 LYS A 850 18.746 -20.810 21.587 1.00 77.27 H new ATOM 0 HZ3 LYS A 850 19.062 -19.424 21.282 1.00 77.27 H new ATOM 109 N ASN A 851 20.812 -20.596 15.550 1.00 71.98 N ATOM 110 CA ASN A 851 19.711 -21.138 14.720 1.00 72.06 C ATOM 111 C ASN A 851 19.698 -20.848 13.198 1.00 72.82 C ATOM 112 O ASN A 851 18.874 -21.408 12.488 1.00 72.70 O ATOM 113 CB ASN A 851 18.338 -20.854 15.342 1.00 71.24 C ATOM 114 CG ASN A 851 18.029 -19.371 15.447 1.00 70.52 C ATOM 115 OD1 ASN A 851 18.709 -18.560 14.664 1.00 68.99 O flip ATOM 116 ND2 ASN A 851 17.185 -18.966 16.224 1.00 71.09 N flip ATOM 0 H ASN A 851 20.602 -19.911 16.026 1.00 71.98 H new ATOM 0 HA ASN A 851 19.917 -22.086 14.741 1.00 72.06 H new ATOM 0 HB2 ASN A 851 17.652 -21.285 14.809 1.00 71.24 H new ATOM 0 HB3 ASN A 851 18.301 -21.250 16.227 1.00 71.24 H new ATOM 0 HD21 ASN A 851 16.758 -19.521 16.722 1.00 71.09 H new ATOM 0 HD22 ASN A 851 17.016 -18.124 16.275 1.00 71.09 H new ATOM 117 N CYS A 852 20.590 -19.988 12.703 1.00 73.85 N ATOM 118 CA CYS A 852 20.675 -19.739 11.263 1.00 75.53 C ATOM 119 C CYS A 852 21.127 -21.018 10.550 1.00 75.62 C ATOM 120 O CYS A 852 20.574 -21.388 9.507 1.00 75.61 O ATOM 121 CB CYS A 852 21.585 -18.528 10.940 1.00 75.94 C ATOM 122 SG CYS A 852 22.858 -18.737 9.640 1.00 79.93 S ATOM 0 H CYS A 852 21.150 -19.542 13.179 1.00 73.85 H new ATOM 0 HA CYS A 852 19.795 -19.501 10.932 1.00 75.53 H new ATOM 0 HB2 CYS A 852 21.014 -17.787 10.682 1.00 75.94 H new ATOM 0 HB3 CYS A 852 22.035 -18.267 11.759 1.00 75.94 H new ATOM 0 HG CYS A 852 22.372 -19.282 8.688 1.00 79.93 H new ATOM 123 N ARG A 853 22.135 -21.673 11.128 1.00 75.97 N ATOM 124 CA ARG A 853 22.558 -23.024 10.748 1.00 76.45 C ATOM 125 C ARG A 853 21.341 -23.962 10.615 1.00 75.95 C ATOM 126 O ARG A 853 21.015 -24.424 9.521 1.00 76.00 O ATOM 127 CB ARG A 853 23.501 -23.584 11.829 1.00 77.03 C ATOM 128 CG ARG A 853 24.846 -24.204 11.371 1.00 80.09 C ATOM 129 CD ARG A 853 25.550 -25.193 12.427 1.00 85.75 C ATOM 130 NE ARG A 853 25.547 -24.818 13.880 1.00 88.25 N ATOM 131 CZ ARG A 853 26.134 -23.727 14.433 1.00 88.45 C ATOM 132 NH1 ARG A 853 26.772 -22.827 13.687 1.00 88.94 N ATOM 133 NH2 ARG A 853 26.068 -23.523 15.745 1.00 87.93 N ATOM 0 H ARG A 853 22.603 -21.337 11.767 1.00 75.97 H new ATOM 0 HA ARG A 853 23.013 -22.975 9.893 1.00 76.45 H new ATOM 0 HB2 ARG A 853 23.701 -22.866 12.450 1.00 77.03 H new ATOM 0 HB3 ARG A 853 23.015 -24.261 12.325 1.00 77.03 H new ATOM 0 HG2 ARG A 853 24.695 -24.692 10.546 1.00 80.09 H new ATOM 0 HG3 ARG A 853 25.463 -23.484 11.166 1.00 80.09 H new ATOM 0 HD2 ARG A 853 25.124 -26.061 12.347 1.00 85.75 H new ATOM 0 HD3 ARG A 853 26.474 -25.305 12.154 1.00 85.75 H new ATOM 0 HE ARG A 853 25.132 -25.347 14.416 1.00 88.25 H new ATOM 0 HH11 ARG A 853 26.819 -22.930 12.835 1.00 88.94 H new ATOM 0 HH12 ARG A 853 27.137 -22.142 14.058 1.00 88.94 H new ATOM 0 HH21 ARG A 853 25.652 -24.084 16.247 1.00 87.93 H new ATOM 0 HH22 ARG A 853 26.441 -22.830 16.092 1.00 87.93 H new ATOM 134 N SER A 854 20.661 -24.199 11.739 1.00 75.26 N ATOM 135 CA SER A 854 19.658 -25.257 11.896 1.00 74.39 C ATOM 136 C SER A 854 18.480 -25.054 10.969 1.00 73.93 C ATOM 137 O SER A 854 17.783 -25.993 10.584 1.00 74.18 O ATOM 138 CB SER A 854 19.199 -25.310 13.375 1.00 74.81 C ATOM 139 OG SER A 854 17.812 -25.054 13.564 1.00 73.70 O ATOM 0 H SER A 854 20.774 -23.734 12.454 1.00 75.26 H new ATOM 0 HA SER A 854 20.062 -26.105 11.654 1.00 74.39 H new ATOM 0 HB2 SER A 854 19.408 -26.185 13.737 1.00 74.81 H new ATOM 0 HB3 SER A 854 19.710 -24.662 13.885 1.00 74.81 H new ATOM 0 HG SER A 854 17.628 -25.099 14.382 1.00 73.70 H new ATOM 140 N LEU A 855 18.273 -23.802 10.614 1.00 73.20 N ATOM 141 CA LEU A 855 17.105 -23.398 9.877 1.00 72.39 C ATOM 142 C LEU A 855 17.425 -23.435 8.398 1.00 71.99 C ATOM 143 O LEU A 855 16.563 -23.770 7.601 1.00 72.21 O ATOM 144 CB LEU A 855 16.720 -21.994 10.337 1.00 72.72 C ATOM 145 CG LEU A 855 15.760 -21.084 9.595 1.00 71.49 C ATOM 146 CD1 LEU A 855 14.488 -20.919 10.391 1.00 71.22 C ATOM 147 CD2 LEU A 855 16.458 -19.786 9.463 1.00 71.99 C ATOM 0 H LEU A 855 18.814 -23.159 10.797 1.00 73.20 H new ATOM 0 HA LEU A 855 16.357 -23.994 10.036 1.00 72.39 H new ATOM 0 HB2 LEU A 855 16.360 -22.093 11.232 1.00 72.72 H new ATOM 0 HB3 LEU A 855 17.551 -21.500 10.419 1.00 72.72 H new ATOM 0 HG LEU A 855 15.515 -21.445 8.729 1.00 71.49 H new ATOM 0 HD11 LEU A 855 13.879 -20.336 9.911 1.00 71.22 H new ATOM 0 HD12 LEU A 855 14.072 -21.786 10.520 1.00 71.22 H new ATOM 0 HD13 LEU A 855 14.695 -20.529 11.255 1.00 71.22 H new ATOM 0 HD21 LEU A 855 15.888 -19.158 8.992 1.00 71.99 H new ATOM 0 HD22 LEU A 855 16.663 -19.438 10.345 1.00 71.99 H new ATOM 0 HD23 LEU A 855 17.281 -19.910 8.965 1.00 71.99 H new ATOM 148 N MET A 856 18.656 -23.086 8.037 1.00 71.04 N ATOM 149 CA MET A 856 19.158 -23.310 6.697 1.00 70.87 C ATOM 150 C MET A 856 19.143 -24.808 6.270 1.00 71.69 C ATOM 151 O MET A 856 19.344 -25.145 5.088 1.00 71.41 O ATOM 152 CB MET A 856 20.555 -22.725 6.597 1.00 70.24 C ATOM 153 CG MET A 856 20.511 -21.304 6.149 1.00 69.69 C ATOM 154 SD MET A 856 21.973 -20.342 6.473 1.00 69.64 S ATOM 155 CE MET A 856 22.420 -19.787 4.733 1.00 66.91 C ATOM 0 H MET A 856 19.221 -22.712 8.567 1.00 71.04 H new ATOM 0 HA MET A 856 18.560 -22.863 6.077 1.00 70.87 H new ATOM 0 HB2 MET A 856 20.995 -22.782 7.460 1.00 70.24 H new ATOM 0 HB3 MET A 856 21.084 -23.247 5.974 1.00 70.24 H new ATOM 0 HG2 MET A 856 20.340 -21.289 5.194 1.00 69.69 H new ATOM 0 HG3 MET A 856 19.757 -20.870 6.579 1.00 69.69 H new ATOM 0 HE1 MET A 856 23.238 -19.266 4.759 1.00 66.91 H new ATOM 0 HE2 MET A 856 22.551 -20.565 4.169 1.00 66.91 H new ATOM 0 HE3 MET A 856 21.702 -19.243 4.372 1.00 66.91 H new ATOM 156 N HIS A 857 18.888 -25.693 7.240 1.00 72.39 N ATOM 157 CA HIS A 857 18.885 -27.136 7.030 1.00 73.22 C ATOM 158 C HIS A 857 17.496 -27.667 6.737 1.00 73.11 C ATOM 159 O HIS A 857 17.354 -28.651 6.026 1.00 74.06 O ATOM 160 CB HIS A 857 19.450 -27.899 8.250 1.00 73.79 C ATOM 161 CG HIS A 857 20.957 -27.934 8.331 1.00 76.62 C ATOM 162 ND1 HIS A 857 21.785 -27.399 7.357 1.00 76.88 N ATOM 163 CD2 HIS A 857 21.780 -28.435 9.291 1.00 78.34 C ATOM 164 CE1 HIS A 857 23.048 -27.563 7.714 1.00 77.66 C ATOM 165 NE2 HIS A 857 23.072 -28.188 8.883 1.00 79.79 N ATOM 0 H HIS A 857 18.710 -25.463 8.049 1.00 72.39 H new ATOM 0 HA HIS A 857 19.456 -27.287 6.261 1.00 73.22 H new ATOM 0 HB2 HIS A 857 19.104 -27.491 9.059 1.00 73.79 H new ATOM 0 HB3 HIS A 857 19.118 -28.810 8.228 1.00 73.79 H new ATOM 0 HD2 HIS A 857 21.520 -28.863 10.074 1.00 78.34 H new ATOM 0 HE1 HIS A 857 23.792 -27.287 7.228 1.00 77.66 H new ATOM 0 HE2 HIS A 857 23.782 -28.405 9.318 1.00 79.79 H new ATOM 166 N HIS A 858 16.459 -27.070 7.297 1.00 72.81 N ATOM 167 CA HIS A 858 15.145 -27.666 7.105 1.00 72.79 C ATOM 168 C HIS A 858 14.210 -26.892 6.161 1.00 71.77 C ATOM 169 O HIS A 858 13.044 -27.280 5.981 1.00 72.55 O ATOM 170 CB HIS A 858 14.482 -28.001 8.458 1.00 73.69 C ATOM 171 CG HIS A 858 15.356 -28.802 9.389 1.00 77.09 C ATOM 172 ND1 HIS A 858 15.165 -28.822 10.759 1.00 79.57 N ATOM 173 CD2 HIS A 858 16.423 -29.610 9.149 1.00 79.40 C ATOM 174 CE1 HIS A 858 16.083 -29.590 11.323 1.00 80.19 C ATOM 175 NE2 HIS A 858 16.860 -30.077 10.368 1.00 80.97 N ATOM 0 H HIS A 858 16.485 -26.353 7.771 1.00 72.81 H new ATOM 0 HA HIS A 858 15.306 -28.498 6.633 1.00 72.79 H new ATOM 0 HB2 HIS A 858 14.230 -27.174 8.898 1.00 73.69 H new ATOM 0 HB3 HIS A 858 13.664 -28.495 8.293 1.00 73.69 H new ATOM 0 HD2 HIS A 858 16.789 -29.810 8.318 1.00 79.40 H new ATOM 0 HE1 HIS A 858 16.168 -29.759 12.234 1.00 80.19 H new ATOM 0 HE2 HIS A 858 17.531 -30.601 10.490 1.00 80.97 H new ATOM 176 N VAL A 859 14.721 -25.828 5.534 1.00 69.92 N ATOM 177 CA VAL A 859 13.913 -24.965 4.664 1.00 67.89 C ATOM 178 C VAL A 859 14.753 -24.519 3.460 1.00 67.16 C ATOM 179 O VAL A 859 15.906 -24.166 3.621 1.00 66.76 O ATOM 180 CB VAL A 859 13.182 -23.803 5.502 1.00 67.95 C ATOM 181 CG1 VAL A 859 13.651 -23.764 6.970 1.00 67.00 C ATOM 182 CG2 VAL A 859 13.252 -22.404 4.852 1.00 66.98 C ATOM 0 H VAL A 859 15.544 -25.587 5.601 1.00 69.92 H new ATOM 0 HA VAL A 859 13.169 -25.457 4.283 1.00 67.89 H new ATOM 0 HB VAL A 859 12.243 -24.047 5.490 1.00 67.95 H new ATOM 0 HG11 VAL A 859 13.188 -23.052 7.439 1.00 67.00 H new ATOM 0 HG12 VAL A 859 13.454 -24.613 7.396 1.00 67.00 H new ATOM 0 HG13 VAL A 859 14.607 -23.602 7.000 1.00 67.00 H new ATOM 0 HG21 VAL A 859 12.791 -21.762 5.415 1.00 66.98 H new ATOM 0 HG22 VAL A 859 14.180 -22.139 4.753 1.00 66.98 H new ATOM 0 HG23 VAL A 859 12.829 -22.431 3.979 1.00 66.98 H new ATOM 183 N LYS A 860 14.184 -24.563 2.261 1.00 66.47 N ATOM 184 CA LYS A 860 14.961 -24.437 1.025 1.00 66.85 C ATOM 185 C LYS A 860 15.610 -23.060 0.880 1.00 65.93 C ATOM 186 O LYS A 860 16.795 -22.909 0.501 1.00 65.32 O ATOM 187 CB LYS A 860 14.066 -24.685 -0.214 1.00 67.66 C ATOM 188 CG LYS A 860 13.232 -26.013 -0.246 1.00 72.28 C ATOM 189 CD LYS A 860 11.774 -25.902 0.365 1.00 78.06 C ATOM 190 CE LYS A 860 11.738 -26.205 1.915 1.00 79.30 C ATOM 191 NZ LYS A 860 11.332 -27.595 2.316 1.00 79.75 N ATOM 0 H LYS A 860 13.339 -24.666 2.137 1.00 66.47 H new ATOM 0 HA LYS A 860 15.661 -25.107 1.078 1.00 66.85 H new ATOM 0 HB2 LYS A 860 13.448 -23.941 -0.292 1.00 67.66 H new ATOM 0 HB3 LYS A 860 14.632 -24.667 -1.001 1.00 67.66 H new ATOM 0 HG2 LYS A 860 13.161 -26.312 -1.166 1.00 72.28 H new ATOM 0 HG3 LYS A 860 13.720 -26.697 0.238 1.00 72.28 H new ATOM 0 HD2 LYS A 860 11.428 -25.010 0.205 1.00 78.06 H new ATOM 0 HD3 LYS A 860 11.186 -26.521 -0.096 1.00 78.06 H new ATOM 0 HE2 LYS A 860 12.619 -26.029 2.280 1.00 79.30 H new ATOM 0 HE3 LYS A 860 11.128 -25.578 2.333 1.00 79.30 H new ATOM 0 HZ1 LYS A 860 11.343 -27.663 3.203 1.00 79.75 H new ATOM 0 HZ2 LYS A 860 10.511 -27.763 2.016 1.00 79.75 H new ATOM 0 HZ3 LYS A 860 11.901 -28.183 1.966 1.00 79.75 H new ATOM 192 N ASN A 861 14.788 -22.061 1.174 1.00 64.83 N ATOM 193 CA ASN A 861 15.028 -20.668 0.813 1.00 63.65 C ATOM 194 C ASN A 861 14.073 -19.834 1.634 1.00 63.28 C ATOM 195 O ASN A 861 13.172 -20.382 2.309 1.00 62.78 O ATOM 196 CB ASN A 861 14.754 -20.444 -0.673 1.00 62.88 C ATOM 197 CG ASN A 861 13.335 -20.882 -1.100 1.00 61.60 C ATOM 198 OD1 ASN A 861 12.514 -21.391 -0.169 1.00 60.39 O flip ATOM 199 ND2 ASN A 861 12.997 -20.752 -2.262 1.00 58.74 N flip ATOM 0 H ASN A 861 14.052 -22.178 1.603 1.00 64.83 H new ATOM 0 HA ASN A 861 15.951 -20.426 0.985 1.00 63.65 H new ATOM 0 HB2 ASN A 861 14.873 -19.504 -0.880 1.00 62.88 H new ATOM 0 HB3 ASN A 861 15.409 -20.934 -1.195 1.00 62.88 H new ATOM 0 HD21 ASN A 861 13.547 -20.422 -2.835 1.00 58.74 H new ATOM 0 HD22 ASN A 861 12.209 -20.990 -2.510 1.00 58.74 H new ATOM 200 N ILE A 862 14.248 -18.517 1.567 1.00 62.88 N ATOM 201 CA ILE A 862 13.398 -17.608 2.339 1.00 62.67 C ATOM 202 C ILE A 862 11.914 -17.824 2.011 1.00 63.04 C ATOM 203 O ILE A 862 11.101 -18.045 2.903 1.00 62.78 O ATOM 204 CB ILE A 862 13.809 -16.137 2.114 1.00 62.42 C ATOM 205 CG1 ILE A 862 15.114 -15.809 2.846 1.00 61.19 C ATOM 206 CG2 ILE A 862 12.726 -15.225 2.608 1.00 62.91 C ATOM 207 CD1 ILE A 862 16.002 -14.796 2.148 1.00 58.81 C ATOM 0 H ILE A 862 14.847 -18.130 1.086 1.00 62.88 H new ATOM 0 HA ILE A 862 13.525 -17.811 3.279 1.00 62.67 H new ATOM 0 HB ILE A 862 13.945 -16.007 1.163 1.00 62.42 H new ATOM 0 HG12 ILE A 862 14.898 -15.475 3.731 1.00 61.19 H new ATOM 0 HG13 ILE A 862 15.616 -16.630 2.968 1.00 61.19 H new ATOM 0 HG21 ILE A 862 12.989 -14.302 2.464 1.00 62.91 H new ATOM 0 HG22 ILE A 862 11.905 -15.406 2.124 1.00 62.91 H new ATOM 0 HG23 ILE A 862 12.583 -15.376 3.555 1.00 62.91 H new ATOM 0 HD11 ILE A 862 16.802 -14.648 2.677 1.00 58.81 H new ATOM 0 HD12 ILE A 862 16.251 -15.132 1.273 1.00 58.81 H new ATOM 0 HD13 ILE A 862 15.522 -13.959 2.048 1.00 58.81 H new ATOM 208 N ALA A 863 11.583 -17.797 0.722 1.00 63.75 N ATOM 209 CA ALA A 863 10.212 -18.013 0.254 1.00 64.89 C ATOM 210 C ALA A 863 9.460 -19.080 1.038 1.00 65.78 C ATOM 211 O ALA A 863 8.295 -18.901 1.344 1.00 66.05 O ATOM 212 CB ALA A 863 10.198 -18.346 -1.228 1.00 64.68 C ATOM 0 H ALA A 863 12.149 -17.652 0.090 1.00 63.75 H new ATOM 0 HA ALA A 863 9.744 -17.177 0.407 1.00 64.89 H new ATOM 0 HB1 ALA A 863 9.284 -18.486 -1.520 1.00 64.68 H new ATOM 0 HB2 ALA A 863 10.588 -17.612 -1.728 1.00 64.68 H new ATOM 0 HB3 ALA A 863 10.713 -19.153 -1.383 1.00 64.68 H new ATOM 213 N GLU A 864 10.128 -20.187 1.358 1.00 66.77 N ATOM 214 CA GLU A 864 9.475 -21.307 2.016 1.00 67.55 C ATOM 215 C GLU A 864 9.137 -20.951 3.462 1.00 67.13 C ATOM 216 O GLU A 864 8.265 -21.566 4.075 1.00 66.75 O ATOM 217 CB GLU A 864 10.357 -22.561 1.901 1.00 68.25 C ATOM 218 CG GLU A 864 10.096 -23.650 2.942 1.00 72.14 C ATOM 219 CD GLU A 864 8.826 -24.472 2.674 1.00 77.22 C ATOM 220 OE1 GLU A 864 8.063 -24.718 3.651 1.00 77.02 O ATOM 221 OE2 GLU A 864 8.594 -24.884 1.495 1.00 79.21 O ATOM 0 H GLU A 864 10.965 -20.306 1.200 1.00 66.77 H new ATOM 0 HA GLU A 864 8.634 -21.504 1.576 1.00 67.55 H new ATOM 0 HB2 GLU A 864 10.234 -22.944 1.018 1.00 68.25 H new ATOM 0 HB3 GLU A 864 11.286 -22.290 1.966 1.00 68.25 H new ATOM 0 HG2 GLU A 864 10.859 -24.249 2.970 1.00 72.14 H new ATOM 0 HG3 GLU A 864 10.026 -23.239 3.818 1.00 72.14 H new ATOM 222 N LEU A 865 9.834 -19.934 3.984 1.00 67.31 N ATOM 223 CA LEU A 865 9.636 -19.410 5.351 1.00 66.63 C ATOM 224 C LEU A 865 8.220 -18.919 5.488 1.00 66.23 C ATOM 225 O LEU A 865 7.555 -19.190 6.495 1.00 65.88 O ATOM 226 CB LEU A 865 10.581 -18.238 5.628 1.00 66.49 C ATOM 227 CG LEU A 865 11.668 -18.274 6.707 1.00 66.01 C ATOM 228 CD1 LEU A 865 11.794 -19.633 7.437 1.00 64.89 C ATOM 229 CD2 LEU A 865 12.985 -17.855 6.092 1.00 63.53 C ATOM 0 H LEU A 865 10.448 -19.519 3.547 1.00 67.31 H new ATOM 0 HA LEU A 865 9.819 -20.123 5.983 1.00 66.63 H new ATOM 0 HB2 LEU A 865 11.032 -18.045 4.791 1.00 66.49 H new ATOM 0 HB3 LEU A 865 10.019 -17.474 5.830 1.00 66.49 H new ATOM 0 HG LEU A 865 11.405 -17.648 7.400 1.00 66.01 H new ATOM 0 HD11 LEU A 865 12.498 -19.579 8.102 1.00 64.89 H new ATOM 0 HD12 LEU A 865 10.954 -19.845 7.873 1.00 64.89 H new ATOM 0 HD13 LEU A 865 12.009 -20.327 6.794 1.00 64.89 H new ATOM 0 HD21 LEU A 865 13.679 -17.875 6.769 1.00 63.53 H new ATOM 0 HD22 LEU A 865 13.216 -18.465 5.374 1.00 63.53 H new ATOM 0 HD23 LEU A 865 12.905 -16.956 5.738 1.00 63.53 H new ATOM 230 N ALA A 866 7.769 -18.195 4.461 1.00 65.80 N ATOM 231 CA ALA A 866 6.370 -17.795 4.376 1.00 66.07 C ATOM 232 C ALA A 866 5.499 -18.998 4.651 1.00 66.42 C ATOM 233 O ALA A 866 4.487 -18.880 5.351 1.00 67.21 O ATOM 234 CB ALA A 866 6.018 -17.201 3.008 1.00 65.69 C ATOM 0 H ALA A 866 8.259 -17.928 3.806 1.00 65.80 H new ATOM 0 HA ALA A 866 6.214 -17.103 5.037 1.00 66.07 H new ATOM 0 HB1 ALA A 866 5.081 -16.949 2.996 1.00 65.69 H new ATOM 0 HB2 ALA A 866 6.565 -16.417 2.845 1.00 65.69 H new ATOM 0 HB3 ALA A 866 6.185 -17.860 2.316 1.00 65.69 H new ATOM 235 N ALA A 867 5.922 -20.159 4.140 1.00 66.33 N ATOM 236 CA ALA A 867 5.041 -21.320 4.062 1.00 65.99 C ATOM 237 C ALA A 867 4.853 -22.124 5.366 1.00 65.53 C ATOM 238 O ALA A 867 3.957 -22.938 5.441 1.00 65.75 O ATOM 239 CB ALA A 867 5.432 -22.215 2.877 1.00 65.68 C ATOM 0 H ALA A 867 6.715 -20.291 3.835 1.00 66.33 H new ATOM 0 HA ALA A 867 4.157 -20.950 3.910 1.00 65.99 H new ATOM 0 HB1 ALA A 867 4.838 -22.981 2.840 1.00 65.68 H new ATOM 0 HB2 ALA A 867 5.360 -21.710 2.052 1.00 65.68 H new ATOM 0 HB3 ALA A 867 6.346 -22.521 2.990 1.00 65.68 H new ATOM 240 N LEU A 868 5.636 -21.852 6.401 1.00 65.00 N ATOM 241 CA LEU A 868 5.576 -22.639 7.633 1.00 65.20 C ATOM 242 C LEU A 868 4.660 -22.141 8.753 1.00 65.74 C ATOM 243 O LEU A 868 4.428 -20.953 8.880 1.00 66.54 O ATOM 244 CB LEU A 868 6.979 -22.789 8.179 1.00 64.76 C ATOM 245 CG LEU A 868 7.919 -23.157 7.051 1.00 64.28 C ATOM 246 CD1 LEU A 868 9.239 -22.518 7.337 1.00 65.40 C ATOM 247 CD2 LEU A 868 8.025 -24.654 6.931 1.00 61.60 C ATOM 0 H LEU A 868 6.212 -21.214 6.414 1.00 65.00 H new ATOM 0 HA LEU A 868 5.171 -23.476 7.358 1.00 65.20 H new ATOM 0 HB2 LEU A 868 7.265 -21.961 8.595 1.00 64.76 H new ATOM 0 HB3 LEU A 868 6.998 -23.473 8.866 1.00 64.76 H new ATOM 0 HG LEU A 868 7.588 -22.835 6.198 1.00 64.28 H new ATOM 0 HD11 LEU A 868 9.865 -22.737 6.629 1.00 65.40 H new ATOM 0 HD12 LEU A 868 9.129 -21.555 7.385 1.00 65.40 H new ATOM 0 HD13 LEU A 868 9.581 -22.847 8.183 1.00 65.40 H new ATOM 0 HD21 LEU A 868 8.629 -24.879 6.206 1.00 61.60 H new ATOM 0 HD22 LEU A 868 8.366 -25.022 7.761 1.00 61.60 H new ATOM 0 HD23 LEU A 868 7.148 -25.027 6.748 1.00 61.60 H new ATOM 248 N SER A 869 4.160 -23.051 9.583 1.00 66.56 N ATOM 249 CA SER A 869 3.365 -22.653 10.746 1.00 67.77 C ATOM 250 C SER A 869 4.241 -22.281 11.938 1.00 67.84 C ATOM 251 O SER A 869 5.462 -22.501 11.918 1.00 67.89 O ATOM 252 CB SER A 869 2.341 -23.723 11.152 1.00 68.26 C ATOM 253 OG SER A 869 1.026 -23.154 11.213 1.00 70.95 O ATOM 0 H SER A 869 4.267 -23.900 9.494 1.00 66.56 H new ATOM 0 HA SER A 869 2.874 -21.863 10.472 1.00 67.77 H new ATOM 0 HB2 SER A 869 2.355 -24.453 10.513 1.00 68.26 H new ATOM 0 HB3 SER A 869 2.579 -24.097 12.015 1.00 68.26 H new ATOM 0 HG SER A 869 0.474 -23.747 11.434 1.00 70.95 H new ATOM 254 N GLN A 870 3.621 -21.704 12.969 1.00 67.75 N ATOM 255 CA GLN A 870 4.376 -21.265 14.138 1.00 67.36 C ATOM 256 C GLN A 870 4.988 -22.465 14.844 1.00 67.65 C ATOM 257 O GLN A 870 6.178 -22.461 15.166 1.00 67.29 O ATOM 258 CB GLN A 870 3.483 -20.493 15.085 1.00 66.98 C ATOM 259 CG GLN A 870 4.243 -19.585 15.968 1.00 66.36 C ATOM 260 CD GLN A 870 3.351 -18.574 16.628 1.00 68.39 C ATOM 261 OE1 GLN A 870 2.294 -18.195 16.076 1.00 68.78 O ATOM 262 NE2 GLN A 870 3.758 -18.116 17.814 1.00 68.75 N ATOM 0 H GLN A 870 2.774 -21.560 13.010 1.00 67.75 H new ATOM 0 HA GLN A 870 5.090 -20.678 13.845 1.00 67.36 H new ATOM 0 HB2 GLN A 870 2.841 -19.978 14.572 1.00 66.98 H new ATOM 0 HB3 GLN A 870 2.976 -21.117 15.628 1.00 66.98 H new ATOM 0 HG2 GLN A 870 4.702 -20.103 16.647 1.00 66.36 H new ATOM 0 HG3 GLN A 870 4.925 -19.127 15.452 1.00 66.36 H new ATOM 0 HE21 GLN A 870 4.492 -18.404 18.157 1.00 68.75 H new ATOM 0 HE22 GLN A 870 3.286 -17.533 18.235 1.00 68.75 H new ATOM 263 N ASP A 871 4.166 -23.496 15.049 1.00 68.07 N ATOM 264 CA ASP A 871 4.617 -24.752 15.633 1.00 68.52 C ATOM 265 C ASP A 871 5.752 -25.408 14.833 1.00 68.65 C ATOM 266 O ASP A 871 6.745 -25.843 15.420 1.00 68.66 O ATOM 267 CB ASP A 871 3.432 -25.682 15.815 1.00 68.22 C ATOM 268 CG ASP A 871 2.582 -25.276 16.986 1.00 70.01 C ATOM 269 OD1 ASP A 871 3.160 -24.781 17.978 1.00 71.23 O ATOM 270 OD2 ASP A 871 1.336 -25.401 17.028 1.00 72.19 O ATOM 0 H ASP A 871 3.329 -23.483 14.851 1.00 68.07 H new ATOM 0 HA ASP A 871 4.999 -24.559 16.504 1.00 68.52 H new ATOM 0 HB2 ASP A 871 2.893 -25.682 15.008 1.00 68.22 H new ATOM 0 HB3 ASP A 871 3.749 -26.589 15.944 1.00 68.22 H new ATOM 271 N GLU A 872 5.632 -25.438 13.503 1.00 68.71 N ATOM 272 CA GLU A 872 6.709 -25.985 12.668 1.00 69.46 C ATOM 273 C GLU A 872 7.974 -25.146 12.773 1.00 69.12 C ATOM 274 O GLU A 872 9.063 -25.645 12.524 1.00 69.66 O ATOM 275 CB GLU A 872 6.303 -26.180 11.191 1.00 69.64 C ATOM 276 CG GLU A 872 4.807 -26.378 10.970 1.00 73.15 C ATOM 277 CD GLU A 872 4.406 -26.628 9.513 1.00 77.72 C ATOM 278 OE1 GLU A 872 5.100 -26.168 8.571 1.00 78.31 O ATOM 279 OE2 GLU A 872 3.355 -27.280 9.308 1.00 80.25 O ATOM 0 H GLU A 872 4.947 -25.152 13.069 1.00 68.71 H new ATOM 0 HA GLU A 872 6.892 -26.870 13.022 1.00 69.46 H new ATOM 0 HB2 GLU A 872 6.595 -25.407 10.682 1.00 69.64 H new ATOM 0 HB3 GLU A 872 6.776 -26.949 10.836 1.00 69.64 H new ATOM 0 HG2 GLU A 872 4.509 -27.128 11.508 1.00 73.15 H new ATOM 0 HG3 GLU A 872 4.338 -25.593 11.292 1.00 73.15 H new ATOM 280 N LEU A 873 7.833 -23.876 13.149 1.00 68.79 N ATOM 281 CA LEU A 873 8.984 -23.000 13.284 1.00 67.81 C ATOM 282 C LEU A 873 9.641 -23.193 14.628 1.00 67.92 C ATOM 283 O LEU A 873 10.866 -23.227 14.718 1.00 66.91 O ATOM 284 CB LEU A 873 8.564 -21.558 13.106 1.00 67.47 C ATOM 285 CG LEU A 873 8.718 -20.978 11.697 1.00 66.47 C ATOM 286 CD1 LEU A 873 8.363 -19.496 11.675 1.00 66.25 C ATOM 287 CD2 LEU A 873 10.098 -21.195 11.124 1.00 65.48 C ATOM 0 H LEU A 873 7.078 -23.506 13.330 1.00 68.79 H new ATOM 0 HA LEU A 873 9.627 -23.226 12.594 1.00 67.81 H new ATOM 0 HB2 LEU A 873 7.634 -21.477 13.369 1.00 67.47 H new ATOM 0 HB3 LEU A 873 9.081 -21.012 13.719 1.00 67.47 H new ATOM 0 HG LEU A 873 8.095 -21.461 11.132 1.00 66.47 H new ATOM 0 HD11 LEU A 873 8.468 -19.151 10.774 1.00 66.25 H new ATOM 0 HD12 LEU A 873 7.443 -19.379 11.961 1.00 66.25 H new ATOM 0 HD13 LEU A 873 8.952 -19.013 12.276 1.00 66.25 H new ATOM 0 HD21 LEU A 873 10.143 -20.811 10.234 1.00 65.48 H new ATOM 0 HD22 LEU A 873 10.756 -20.768 11.694 1.00 65.48 H new ATOM 0 HD23 LEU A 873 10.282 -22.146 11.075 1.00 65.48 H new ATOM 288 N THR A 874 8.806 -23.326 15.659 1.00 68.77 N ATOM 289 CA THR A 874 9.243 -23.690 17.014 1.00 70.16 C ATOM 290 C THR A 874 10.109 -24.924 17.004 1.00 70.69 C ATOM 291 O THR A 874 11.252 -24.889 17.445 1.00 70.93 O ATOM 292 CB THR A 874 8.061 -24.001 17.932 1.00 70.29 C ATOM 293 OG1 THR A 874 7.120 -22.916 17.910 1.00 71.80 O ATOM 294 CG2 THR A 874 8.549 -24.079 19.384 1.00 70.08 C ATOM 0 H THR A 874 7.957 -23.206 15.593 1.00 68.77 H new ATOM 0 HA THR A 874 9.736 -22.921 17.340 1.00 70.16 H new ATOM 0 HB THR A 874 7.662 -24.832 17.629 1.00 70.29 H new ATOM 0 HG1 THR A 874 6.754 -22.878 17.155 1.00 71.80 H new ATOM 0 HG21 THR A 874 7.800 -24.276 19.967 1.00 70.08 H new ATOM 0 HG22 THR A 874 9.214 -24.780 19.465 1.00 70.08 H new ATOM 0 HG23 THR A 874 8.942 -23.230 19.640 1.00 70.08 H new ATOM 295 N SER A 875 9.545 -26.023 16.514 1.00 71.24 N ATOM 296 CA SER A 875 10.298 -27.260 16.395 1.00 71.69 C ATOM 297 C SER A 875 11.640 -27.063 15.649 1.00 70.90 C ATOM 298 O SER A 875 12.665 -27.470 16.163 1.00 70.87 O ATOM 299 CB SER A 875 9.408 -28.394 15.833 1.00 72.41 C ATOM 300 OG SER A 875 9.771 -28.795 14.514 1.00 74.03 O ATOM 0 H SER A 875 8.729 -26.071 16.246 1.00 71.24 H new ATOM 0 HA SER A 875 10.562 -27.546 17.284 1.00 71.69 H new ATOM 0 HB2 SER A 875 9.462 -29.161 16.424 1.00 72.41 H new ATOM 0 HB3 SER A 875 8.483 -28.101 15.832 1.00 72.41 H new ATOM 0 HG SER A 875 9.260 -29.411 14.258 1.00 74.03 H new ATOM 301 N ILE A 876 11.635 -26.395 14.492 1.00 70.48 N ATOM 302 CA ILE A 876 12.871 -26.094 13.732 1.00 70.07 C ATOM 303 C ILE A 876 13.876 -25.174 14.465 1.00 70.42 C ATOM 304 O ILE A 876 15.075 -25.171 14.173 1.00 70.28 O ATOM 305 CB ILE A 876 12.516 -25.506 12.344 1.00 69.67 C ATOM 306 CG1 ILE A 876 11.772 -26.551 11.512 1.00 69.37 C ATOM 307 CG2 ILE A 876 13.771 -24.970 11.617 1.00 69.27 C ATOM 308 CD1 ILE A 876 11.781 -26.310 10.011 1.00 69.00 C ATOM 0 H ILE A 876 10.918 -26.101 14.120 1.00 70.48 H new ATOM 0 HA ILE A 876 13.327 -26.944 13.632 1.00 70.07 H new ATOM 0 HB ILE A 876 11.927 -24.745 12.469 1.00 69.67 H new ATOM 0 HG12 ILE A 876 12.163 -27.421 11.688 1.00 69.37 H new ATOM 0 HG13 ILE A 876 10.851 -26.588 11.814 1.00 69.37 H new ATOM 0 HG21 ILE A 876 13.516 -24.610 10.753 1.00 69.27 H new ATOM 0 HG22 ILE A 876 14.180 -24.271 12.150 1.00 69.27 H new ATOM 0 HG23 ILE A 876 14.405 -25.693 11.490 1.00 69.27 H new ATOM 0 HD11 ILE A 876 11.289 -27.018 9.566 1.00 69.00 H new ATOM 0 HD12 ILE A 876 11.364 -25.456 9.818 1.00 69.00 H new ATOM 0 HD13 ILE A 876 12.696 -26.303 9.690 1.00 69.00 H new ATOM 309 N LEU A 877 13.381 -24.377 15.400 1.00 70.78 N ATOM 310 CA LEU A 877 14.246 -23.480 16.152 1.00 71.08 C ATOM 311 C LEU A 877 14.382 -23.925 17.630 1.00 71.27 C ATOM 312 O LEU A 877 15.247 -23.426 18.377 1.00 71.72 O ATOM 313 CB LEU A 877 13.703 -22.045 16.091 1.00 71.11 C ATOM 314 CG LEU A 877 13.572 -21.221 14.815 1.00 70.87 C ATOM 315 CD1 LEU A 877 12.429 -20.258 15.020 1.00 72.41 C ATOM 316 CD2 LEU A 877 14.807 -20.432 14.582 1.00 70.30 C ATOM 0 H LEU A 877 12.549 -24.339 15.615 1.00 70.78 H new ATOM 0 HA LEU A 877 15.126 -23.512 15.745 1.00 71.08 H new ATOM 0 HB2 LEU A 877 12.816 -22.078 16.481 1.00 71.11 H new ATOM 0 HB3 LEU A 877 14.258 -21.523 16.691 1.00 71.11 H new ATOM 0 HG LEU A 877 13.423 -21.807 14.056 1.00 70.87 H new ATOM 0 HD11 LEU A 877 12.316 -19.715 14.224 1.00 72.41 H new ATOM 0 HD12 LEU A 877 11.613 -20.755 15.190 1.00 72.41 H new ATOM 0 HD13 LEU A 877 12.621 -19.684 15.778 1.00 72.41 H new ATOM 0 HD21 LEU A 877 14.711 -19.913 13.768 1.00 70.30 H new ATOM 0 HD22 LEU A 877 14.955 -19.834 15.331 1.00 70.30 H new ATOM 0 HD23 LEU A 877 15.563 -21.033 14.494 1.00 70.30 H new ATOM 317 N GLY A 878 13.516 -24.834 18.070 1.00 70.79 N ATOM 318 CA GLY A 878 13.528 -25.264 19.457 1.00 70.14 C ATOM 319 C GLY A 878 13.240 -24.153 20.450 1.00 69.50 C ATOM 320 O GLY A 878 13.238 -24.395 21.650 1.00 70.09 O ATOM 0 H GLY A 878 12.917 -25.211 17.581 1.00 70.79 H new ATOM 0 HA2 GLY A 878 12.871 -25.968 19.574 1.00 70.14 H new ATOM 0 HA3 GLY A 878 14.395 -25.649 19.659 1.00 70.14 H new ATOM 321 N ASN A 879 13.013 -22.938 19.963 1.00 68.62 N ATOM 322 CA ASN A 879 12.599 -21.831 20.822 1.00 67.68 C ATOM 323 C ASN A 879 11.230 -21.242 20.439 1.00 67.01 C ATOM 324 O ASN A 879 11.080 -20.578 19.407 1.00 66.76 O ATOM 325 CB ASN A 879 13.661 -20.744 20.853 1.00 67.50 C ATOM 326 CG ASN A 879 13.420 -19.742 21.952 1.00 67.62 C ATOM 327 OD1 ASN A 879 12.281 -19.282 22.188 1.00 66.25 O ATOM 328 ND2 ASN A 879 14.496 -19.383 22.640 1.00 67.99 N ATOM 0 H ASN A 879 13.093 -22.731 19.132 1.00 68.62 H new ATOM 0 HA ASN A 879 12.498 -22.202 21.713 1.00 67.68 H new ATOM 0 HB2 ASN A 879 14.533 -21.150 20.974 1.00 67.50 H new ATOM 0 HB3 ASN A 879 13.677 -20.286 19.998 1.00 67.50 H new ATOM 0 HD21 ASN A 879 14.427 -18.811 23.279 1.00 67.99 H new ATOM 0 HD22 ASN A 879 15.262 -19.722 22.447 1.00 67.99 H new ATOM 329 N ALA A 880 10.251 -21.483 21.307 1.00 66.41 N ATOM 330 CA ALA A 880 8.843 -21.173 21.049 1.00 65.55 C ATOM 331 C ALA A 880 8.606 -19.681 20.891 1.00 64.90 C ATOM 332 O ALA A 880 7.740 -19.249 20.113 1.00 65.20 O ATOM 333 CB ALA A 880 7.953 -21.748 22.154 1.00 65.64 C ATOM 0 H ALA A 880 10.387 -21.838 22.078 1.00 66.41 H new ATOM 0 HA ALA A 880 8.605 -21.592 20.207 1.00 65.55 H new ATOM 0 HB1 ALA A 880 7.026 -21.534 21.967 1.00 65.64 H new ATOM 0 HB2 ALA A 880 8.061 -22.711 22.188 1.00 65.64 H new ATOM 0 HB3 ALA A 880 8.208 -21.364 23.008 1.00 65.64 H new ATOM 334 N ALA A 881 9.381 -18.894 21.626 1.00 63.67 N ATOM 335 CA ALA A 881 9.239 -17.455 21.565 1.00 62.04 C ATOM 336 C ALA A 881 10.078 -16.844 20.414 1.00 60.61 C ATOM 337 O ALA A 881 9.674 -15.828 19.824 1.00 60.18 O ATOM 338 CB ALA A 881 9.564 -16.827 22.916 1.00 62.20 C ATOM 0 H ALA A 881 9.991 -19.175 22.163 1.00 63.67 H new ATOM 0 HA ALA A 881 8.312 -17.250 21.363 1.00 62.04 H new ATOM 0 HB1 ALA A 881 9.464 -15.864 22.858 1.00 62.20 H new ATOM 0 HB2 ALA A 881 8.958 -17.174 23.589 1.00 62.20 H new ATOM 0 HB3 ALA A 881 10.477 -17.043 23.162 1.00 62.20 H new ATOM 339 N ASN A 882 11.224 -17.451 20.099 1.00 58.30 N ATOM 340 CA ASN A 882 11.940 -17.078 18.893 1.00 56.68 C ATOM 341 C ASN A 882 11.039 -17.279 17.694 1.00 55.81 C ATOM 342 O ASN A 882 11.023 -16.465 16.767 1.00 55.95 O ATOM 343 CB ASN A 882 13.145 -17.948 18.703 1.00 56.66 C ATOM 344 CG ASN A 882 14.345 -17.407 19.378 1.00 58.45 C ATOM 345 OD1 ASN A 882 14.263 -16.435 20.107 1.00 60.08 O ATOM 346 ND2 ASN A 882 15.498 -18.027 19.135 1.00 61.97 N ATOM 0 H ASN A 882 11.594 -18.071 20.566 1.00 58.30 H new ATOM 0 HA ASN A 882 12.212 -16.151 18.977 1.00 56.68 H new ATOM 0 HB2 ASN A 882 12.957 -18.836 19.046 1.00 56.66 H new ATOM 0 HB3 ASN A 882 13.326 -18.043 17.755 1.00 56.66 H new ATOM 0 HD21 ASN A 882 16.224 -17.743 19.499 1.00 61.97 H new ATOM 0 HD22 ASN A 882 15.517 -18.711 18.614 1.00 61.97 H new ATOM 347 N ALA A 883 10.278 -18.370 17.729 1.00 54.38 N ATOM 348 CA ALA A 883 9.360 -18.711 16.668 1.00 52.62 C ATOM 349 C ALA A 883 8.234 -17.681 16.590 1.00 51.31 C ATOM 350 O ALA A 883 7.802 -17.312 15.509 1.00 51.35 O ATOM 351 CB ALA A 883 8.820 -20.071 16.895 1.00 52.78 C ATOM 0 H ALA A 883 10.286 -18.933 18.379 1.00 54.38 H new ATOM 0 HA ALA A 883 9.832 -18.703 15.820 1.00 52.62 H new ATOM 0 HB1 ALA A 883 8.204 -20.298 16.181 1.00 52.78 H new ATOM 0 HB2 ALA A 883 9.549 -20.711 16.908 1.00 52.78 H new ATOM 0 HB3 ALA A 883 8.353 -20.096 17.745 1.00 52.78 H new ATOM 352 N LYS A 884 7.781 -17.203 17.734 1.00 49.73 N ATOM 353 CA LYS A 884 6.802 -16.136 17.765 1.00 48.52 C ATOM 354 C LYS A 884 7.346 -14.912 17.047 1.00 47.36 C ATOM 355 O LYS A 884 6.689 -14.327 16.221 1.00 47.29 O ATOM 356 CB LYS A 884 6.466 -15.775 19.214 1.00 48.65 C ATOM 357 CG LYS A 884 4.982 -15.516 19.478 1.00 48.37 C ATOM 358 CD LYS A 884 4.818 -14.294 20.364 1.00 50.88 C ATOM 359 CE LYS A 884 3.507 -13.585 20.085 1.00 54.59 C ATOM 360 NZ LYS A 884 2.283 -14.428 20.421 1.00 60.62 N ATOM 0 H LYS A 884 8.029 -17.484 18.508 1.00 49.73 H new ATOM 0 HA LYS A 884 5.996 -16.437 17.317 1.00 48.52 H new ATOM 0 HB2 LYS A 884 6.764 -16.495 19.792 1.00 48.65 H new ATOM 0 HB3 LYS A 884 6.970 -14.984 19.463 1.00 48.65 H new ATOM 0 HG2 LYS A 884 4.515 -15.381 18.639 1.00 48.37 H new ATOM 0 HG3 LYS A 884 4.582 -16.290 19.904 1.00 48.37 H new ATOM 0 HD2 LYS A 884 4.852 -14.560 21.296 1.00 50.88 H new ATOM 0 HD3 LYS A 884 5.557 -13.683 20.216 1.00 50.88 H new ATOM 0 HE2 LYS A 884 3.476 -12.762 20.598 1.00 54.59 H new ATOM 0 HE3 LYS A 884 3.474 -13.337 19.148 1.00 54.59 H new ATOM 0 HZ1 LYS A 884 1.545 -13.966 20.239 1.00 60.62 H new ATOM 0 HZ2 LYS A 884 2.293 -15.173 19.935 1.00 60.62 H new ATOM 0 HZ3 LYS A 884 2.295 -14.638 21.286 1.00 60.62 H new ATOM 361 N GLN A 885 8.579 -14.560 17.334 1.00 46.24 N ATOM 362 CA GLN A 885 9.132 -13.344 16.806 1.00 45.72 C ATOM 363 C GLN A 885 9.248 -13.374 15.289 1.00 44.97 C ATOM 364 O GLN A 885 8.998 -12.370 14.605 1.00 45.06 O ATOM 365 CB GLN A 885 10.459 -13.025 17.488 1.00 44.75 C ATOM 366 CG GLN A 885 10.224 -12.446 18.897 1.00 48.89 C ATOM 367 CD GLN A 885 9.284 -11.135 18.973 1.00 53.17 C ATOM 368 OE1 GLN A 885 8.190 -11.146 19.615 1.00 50.42 O ATOM 369 NE2 GLN A 885 9.762 -10.016 18.359 1.00 54.58 N ATOM 0 H GLN A 885 9.112 -15.014 17.834 1.00 46.24 H new ATOM 0 HA GLN A 885 8.516 -12.622 17.006 1.00 45.72 H new ATOM 0 HB2 GLN A 885 10.997 -13.829 17.550 1.00 44.75 H new ATOM 0 HB3 GLN A 885 10.959 -12.390 16.952 1.00 44.75 H new ATOM 0 HG2 GLN A 885 9.830 -13.138 19.451 1.00 48.89 H new ATOM 0 HG3 GLN A 885 11.085 -12.228 19.286 1.00 48.89 H new ATOM 0 HE21 GLN A 885 10.508 -10.045 17.932 1.00 54.58 H new ATOM 0 HE22 GLN A 885 9.318 -9.281 18.398 1.00 54.58 H new ATOM 370 N LEU A 886 9.624 -14.527 14.761 1.00 43.85 N ATOM 371 CA LEU A 886 9.970 -14.563 13.368 1.00 42.52 C ATOM 372 C LEU A 886 8.691 -14.771 12.600 1.00 41.69 C ATOM 373 O LEU A 886 8.512 -14.221 11.513 1.00 41.37 O ATOM 374 CB LEU A 886 11.030 -15.617 13.080 1.00 42.32 C ATOM 375 CG LEU A 886 11.168 -16.056 11.616 1.00 42.18 C ATOM 376 CD1 LEU A 886 12.085 -15.185 10.834 1.00 41.09 C ATOM 377 CD2 LEU A 886 11.698 -17.472 11.608 1.00 42.40 C ATOM 0 H LEU A 886 9.682 -15.275 15.182 1.00 43.85 H new ATOM 0 HA LEU A 886 10.378 -13.729 13.087 1.00 42.52 H new ATOM 0 HB2 LEU A 886 11.888 -15.276 13.378 1.00 42.32 H new ATOM 0 HB3 LEU A 886 10.834 -16.401 13.616 1.00 42.32 H new ATOM 0 HG LEU A 886 10.296 -15.992 11.196 1.00 42.18 H new ATOM 0 HD11 LEU A 886 12.135 -15.506 9.920 1.00 41.09 H new ATOM 0 HD12 LEU A 886 11.750 -14.275 10.839 1.00 41.09 H new ATOM 0 HD13 LEU A 886 12.969 -15.205 11.233 1.00 41.09 H new ATOM 0 HD21 LEU A 886 11.795 -17.776 10.692 1.00 42.40 H new ATOM 0 HD22 LEU A 886 12.561 -17.497 12.050 1.00 42.40 H new ATOM 0 HD23 LEU A 886 11.078 -18.052 12.077 1.00 42.40 H new ATOM 378 N TYR A 887 7.791 -15.531 13.194 1.00 40.57 N ATOM 379 CA TYR A 887 6.528 -15.801 12.553 1.00 40.55 C ATOM 380 C TYR A 887 5.690 -14.540 12.422 1.00 41.14 C ATOM 381 O TYR A 887 5.059 -14.318 11.388 1.00 40.50 O ATOM 382 CB TYR A 887 5.756 -16.857 13.313 1.00 40.04 C ATOM 383 CG TYR A 887 4.454 -17.205 12.671 1.00 39.70 C ATOM 384 CD1 TYR A 887 4.383 -18.199 11.702 1.00 40.21 C ATOM 385 CD2 TYR A 887 3.284 -16.531 13.018 1.00 41.24 C ATOM 386 CE1 TYR A 887 3.181 -18.518 11.092 1.00 40.90 C ATOM 387 CE2 TYR A 887 2.050 -16.854 12.420 1.00 41.45 C ATOM 388 CZ TYR A 887 2.027 -17.849 11.464 1.00 42.58 C ATOM 389 OH TYR A 887 0.856 -18.157 10.851 1.00 47.09 O ATOM 0 H TYR A 887 7.893 -15.898 13.965 1.00 40.57 H new ATOM 0 HA TYR A 887 6.720 -16.131 11.662 1.00 40.55 H new ATOM 0 HB2 TYR A 887 6.299 -17.658 13.386 1.00 40.04 H new ATOM 0 HB3 TYR A 887 5.592 -16.543 14.216 1.00 40.04 H new ATOM 0 HD1 TYR A 887 5.155 -18.657 11.459 1.00 40.21 H new ATOM 0 HD2 TYR A 887 3.319 -15.855 13.656 1.00 41.24 H new ATOM 0 HE1 TYR A 887 3.149 -19.177 10.437 1.00 40.90 H new ATOM 0 HE2 TYR A 887 1.271 -16.408 12.663 1.00 41.45 H new ATOM 0 HH TYR A 887 0.240 -17.683 11.169 1.00 47.09 H new ATOM 390 N ASP A 888 5.694 -13.738 13.490 1.00 41.99 N ATOM 391 CA ASP A 888 5.009 -12.444 13.546 1.00 42.63 C ATOM 392 C ASP A 888 5.614 -11.413 12.593 1.00 42.31 C ATOM 393 O ASP A 888 4.902 -10.668 11.910 1.00 42.41 O ATOM 394 CB ASP A 888 5.006 -11.911 14.974 1.00 43.07 C ATOM 395 CG ASP A 888 4.155 -12.778 15.920 1.00 47.45 C ATOM 396 OD1 ASP A 888 3.152 -13.385 15.469 1.00 51.83 O ATOM 397 OD2 ASP A 888 4.415 -12.942 17.136 1.00 52.56 O ATOM 0 H ASP A 888 6.105 -13.937 14.219 1.00 41.99 H new ATOM 0 HA ASP A 888 4.096 -12.593 13.254 1.00 42.63 H new ATOM 0 HB2 ASP A 888 5.917 -11.874 15.305 1.00 43.07 H new ATOM 0 HB3 ASP A 888 4.666 -11.003 14.977 1.00 43.07 H new ATOM 398 N PHE A 889 6.933 -11.371 12.530 1.00 41.70 N ATOM 399 CA PHE A 889 7.568 -10.494 11.592 1.00 41.06 C ATOM 400 C PHE A 889 6.964 -10.767 10.207 1.00 41.56 C ATOM 401 O PHE A 889 6.704 -9.853 9.434 1.00 42.91 O ATOM 402 CB PHE A 889 9.045 -10.812 11.594 1.00 40.46 C ATOM 403 CG PHE A 889 9.886 -9.899 10.745 1.00 38.65 C ATOM 404 CD1 PHE A 889 9.935 -8.528 10.992 1.00 37.42 C ATOM 405 CD2 PHE A 889 10.696 -10.431 9.745 1.00 37.52 C ATOM 406 CE1 PHE A 889 10.768 -7.685 10.227 1.00 37.02 C ATOM 407 CE2 PHE A 889 11.545 -9.610 8.980 1.00 36.64 C ATOM 408 CZ PHE A 889 11.574 -8.227 9.222 1.00 36.58 C ATOM 0 H PHE A 889 7.466 -11.838 13.017 1.00 41.70 H new ATOM 0 HA PHE A 889 7.437 -9.561 11.821 1.00 41.06 H new ATOM 0 HB2 PHE A 889 9.370 -10.775 12.507 1.00 40.46 H new ATOM 0 HB3 PHE A 889 9.167 -11.724 11.286 1.00 40.46 H new ATOM 0 HD1 PHE A 889 9.412 -8.165 11.670 1.00 37.42 H new ATOM 0 HD2 PHE A 889 10.675 -11.346 9.580 1.00 37.52 H new ATOM 0 HE1 PHE A 889 10.781 -6.770 10.391 1.00 37.02 H new ATOM 0 HE2 PHE A 889 12.083 -9.981 8.319 1.00 36.64 H new ATOM 0 HZ PHE A 889 12.126 -7.675 8.717 1.00 36.58 H new ATOM 409 N ILE A 890 6.745 -12.029 9.898 1.00 41.26 N ATOM 410 CA ILE A 890 6.462 -12.419 8.542 1.00 40.96 C ATOM 411 C ILE A 890 4.976 -12.252 8.252 1.00 41.26 C ATOM 412 O ILE A 890 4.592 -11.854 7.169 1.00 41.48 O ATOM 413 CB ILE A 890 6.913 -13.887 8.345 1.00 41.06 C ATOM 414 CG1 ILE A 890 8.430 -13.973 8.272 1.00 39.42 C ATOM 415 CG2 ILE A 890 6.287 -14.535 7.107 1.00 39.45 C ATOM 416 CD1 ILE A 890 8.858 -15.437 8.208 1.00 38.05 C ATOM 0 H ILE A 890 6.756 -12.676 10.464 1.00 41.26 H new ATOM 0 HA ILE A 890 6.947 -11.854 7.920 1.00 40.96 H new ATOM 0 HB ILE A 890 6.598 -14.383 9.117 1.00 41.06 H new ATOM 0 HG12 ILE A 890 8.753 -13.498 7.490 1.00 39.42 H new ATOM 0 HG13 ILE A 890 8.825 -13.545 9.048 1.00 39.42 H new ATOM 0 HG21 ILE A 890 6.599 -15.450 7.028 1.00 39.45 H new ATOM 0 HG22 ILE A 890 5.321 -14.530 7.192 1.00 39.45 H new ATOM 0 HG23 ILE A 890 6.544 -14.036 6.316 1.00 39.45 H new ATOM 0 HD11 ILE A 890 9.825 -15.490 8.161 1.00 38.05 H new ATOM 0 HD12 ILE A 890 8.547 -15.900 9.002 1.00 38.05 H new ATOM 0 HD13 ILE A 890 8.474 -15.853 7.420 1.00 38.05 H new ATOM 417 N HIS A 891 4.136 -12.530 9.228 1.00 41.55 N ATOM 418 CA HIS A 891 2.710 -12.522 8.979 1.00 42.15 C ATOM 419 C HIS A 891 1.980 -11.270 9.367 1.00 42.15 C ATOM 420 O HIS A 891 0.781 -11.216 9.154 1.00 43.08 O ATOM 421 CB HIS A 891 2.049 -13.735 9.612 1.00 42.47 C ATOM 422 CG HIS A 891 2.395 -15.009 8.910 1.00 46.39 C ATOM 423 ND1 HIS A 891 3.613 -15.648 9.084 1.00 48.51 N ATOM 424 CD2 HIS A 891 1.719 -15.724 7.979 1.00 47.33 C ATOM 425 CE1 HIS A 891 3.664 -16.715 8.305 1.00 49.49 C ATOM 426 NE2 HIS A 891 2.532 -16.778 7.621 1.00 51.86 N ATOM 0 H HIS A 891 4.366 -12.724 10.034 1.00 41.55 H new ATOM 0 HA HIS A 891 2.638 -12.557 8.012 1.00 42.15 H new ATOM 0 HB2 HIS A 891 2.319 -13.798 10.542 1.00 42.47 H new ATOM 0 HB3 HIS A 891 1.086 -13.616 9.604 1.00 42.47 H new ATOM 0 HD1 HIS A 891 4.238 -15.390 9.616 1.00 48.51 H new ATOM 0 HD2 HIS A 891 0.871 -15.539 7.646 1.00 47.33 H new ATOM 0 HE1 HIS A 891 4.371 -17.316 8.248 1.00 49.49 H new ATOM 427 N THR A 892 2.676 -10.263 9.901 1.00 42.34 N ATOM 428 CA THR A 892 2.055 -8.984 10.293 1.00 42.78 C ATOM 429 C THR A 892 1.695 -8.176 9.053 1.00 43.53 C ATOM 430 O THR A 892 2.532 -8.037 8.144 1.00 43.59 O ATOM 431 CB THR A 892 3.015 -8.203 11.243 1.00 42.79 C ATOM 432 OG1 THR A 892 3.085 -8.884 12.522 1.00 43.08 O ATOM 433 CG2 THR A 892 2.504 -6.787 11.551 1.00 41.01 C ATOM 0 H THR A 892 3.523 -10.298 10.048 1.00 42.34 H new ATOM 0 HA THR A 892 1.232 -9.153 10.778 1.00 42.78 H new ATOM 0 HB THR A 892 3.873 -8.157 10.792 1.00 42.79 H new ATOM 0 HG1 THR A 892 3.704 -9.452 12.504 1.00 43.08 H new ATOM 0 HG21 THR A 892 3.129 -6.339 12.143 1.00 41.01 H new ATOM 0 HG22 THR A 892 2.424 -6.285 10.725 1.00 41.01 H new ATOM 0 HG23 THR A 892 1.636 -6.842 11.980 1.00 41.01 H new ATOM 434 N SER A 893 0.458 -7.676 8.995 1.00 44.07 N ATOM 435 CA SER A 893 0.002 -6.954 7.801 1.00 45.20 C ATOM 436 C SER A 893 -0.533 -5.512 8.005 1.00 46.02 C ATOM 437 O SER A 893 -1.343 -5.289 8.899 1.00 46.91 O ATOM 438 CB SER A 893 -1.074 -7.770 7.090 1.00 44.63 C ATOM 439 OG SER A 893 -1.329 -7.231 5.807 1.00 45.36 O ATOM 0 H SER A 893 -0.125 -7.742 9.624 1.00 44.07 H new ATOM 0 HA SER A 893 0.811 -6.848 7.277 1.00 45.20 H new ATOM 0 HB2 SER A 893 -0.788 -8.693 7.009 1.00 44.63 H new ATOM 0 HB3 SER A 893 -1.889 -7.770 7.616 1.00 44.63 H new ATOM 0 HG SER A 893 -1.921 -7.687 5.424 1.00 45.36 H new ATOM 440 N PHE A 894 -0.134 -4.560 7.159 1.00 46.81 N ATOM 441 CA PHE A 894 -0.896 -3.304 6.970 1.00 48.44 C ATOM 442 C PHE A 894 -1.915 -3.504 5.860 1.00 50.80 C ATOM 443 O PHE A 894 -1.672 -4.250 4.903 1.00 52.81 O ATOM 444 CB PHE A 894 0.061 -2.173 6.698 1.00 47.08 C ATOM 445 CG PHE A 894 1.272 -2.221 7.599 1.00 47.22 C ATOM 446 CD1 PHE A 894 2.148 -3.299 7.555 1.00 48.55 C ATOM 447 CD2 PHE A 894 1.502 -1.238 8.561 1.00 45.80 C ATOM 448 CE1 PHE A 894 3.265 -3.369 8.447 1.00 48.77 C ATOM 449 CE2 PHE A 894 2.596 -1.315 9.435 1.00 43.79 C ATOM 450 CZ PHE A 894 3.472 -2.357 9.378 1.00 45.74 C ATOM 0 H PHE A 894 0.578 -4.616 6.679 1.00 46.81 H new ATOM 0 HA PHE A 894 -1.387 -3.070 7.773 1.00 48.44 H new ATOM 0 HB2 PHE A 894 0.347 -2.209 5.772 1.00 47.08 H new ATOM 0 HB3 PHE A 894 -0.398 -1.327 6.820 1.00 47.08 H new ATOM 0 HD1 PHE A 894 2.007 -3.982 6.940 1.00 48.55 H new ATOM 0 HD2 PHE A 894 0.918 -0.517 8.624 1.00 45.80 H new ATOM 0 HE1 PHE A 894 3.851 -4.090 8.404 1.00 48.77 H new ATOM 0 HE2 PHE A 894 2.726 -0.643 10.065 1.00 43.79 H new ATOM 0 HZ PHE A 894 4.200 -2.391 9.955 1.00 45.74 H new ATOM 451 N ALA A 895 -3.090 -2.929 5.980 1.00 52.99 N ATOM 452 CA ALA A 895 -4.172 -3.294 5.056 1.00 55.54 C ATOM 453 C ALA A 895 -5.385 -2.733 5.738 1.00 58.23 C ATOM 454 O ALA A 895 -6.509 -3.215 5.576 1.00 58.67 O ATOM 455 CB ALA A 895 -4.290 -4.808 4.912 1.00 54.48 C ATOM 0 H ALA A 895 -3.292 -2.337 6.570 1.00 52.99 H new ATOM 0 HA ALA A 895 -4.036 -2.957 4.156 1.00 55.54 H new ATOM 0 HB1 ALA A 895 -5.010 -5.020 4.298 1.00 54.48 H new ATOM 0 HB2 ALA A 895 -3.457 -5.166 4.568 1.00 54.48 H new ATOM 0 HB3 ALA A 895 -4.478 -5.202 5.778 1.00 54.48 H new ATOM 456 N GLU A 896 -5.120 -1.686 6.516 1.00 60.89 N ATOM 457 CA GLU A 896 -6.115 -1.009 7.288 1.00 63.26 C ATOM 458 C GLU A 896 -6.480 0.338 6.685 1.00 65.41 C ATOM 459 O GLU A 896 -7.151 0.373 5.624 1.00 66.61 O ATOM 460 CB GLU A 896 -5.521 -0.729 8.629 1.00 63.98 C ATOM 461 CG GLU A 896 -4.668 0.523 8.687 1.00 64.25 C ATOM 462 CD GLU A 896 -3.306 0.149 9.138 1.00 66.02 C ATOM 463 OE1 GLU A 896 -3.067 -1.089 9.058 1.00 65.68 O ATOM 464 OE2 GLU A 896 -2.528 1.048 9.588 1.00 65.64 O ATOM 0 H GLU A 896 -4.332 -1.352 6.602 1.00 60.89 H new ATOM 0 HA GLU A 896 -6.908 -1.566 7.324 1.00 63.26 H new ATOM 0 HB2 GLU A 896 -6.238 -0.649 9.278 1.00 63.98 H new ATOM 0 HB3 GLU A 896 -4.980 -1.489 8.896 1.00 63.98 H new ATOM 0 HG2 GLU A 896 -4.629 0.944 7.814 1.00 64.25 H new ATOM 0 HG3 GLU A 896 -5.059 1.168 9.297 1.00 64.25 H new ATOM 465 N VAL A 897 -6.046 1.432 7.369 1.00 66.18 N ATOM 466 CA VAL A 897 -6.356 2.832 7.022 1.00 66.67 C ATOM 467 C VAL A 897 -7.842 3.093 6.627 1.00 67.83 C ATOM 468 O VAL A 897 -8.185 4.191 6.182 1.00 68.02 O ATOM 469 CB VAL A 897 -5.358 3.443 5.967 1.00 66.37 C ATOM 470 CG1 VAL A 897 -4.034 3.830 6.610 1.00 64.89 C ATOM 471 CG2 VAL A 897 -5.151 2.511 4.738 1.00 66.50 C ATOM 0 H VAL A 897 -5.549 1.366 8.067 1.00 66.18 H new ATOM 0 HA VAL A 897 -6.224 3.310 7.856 1.00 66.67 H new ATOM 0 HB VAL A 897 -5.768 4.256 5.632 1.00 66.37 H new ATOM 0 HG11 VAL A 897 -3.443 4.202 5.936 1.00 64.89 H new ATOM 0 HG12 VAL A 897 -4.191 4.491 7.302 1.00 64.89 H new ATOM 0 HG13 VAL A 897 -3.622 3.044 7.002 1.00 64.89 H new ATOM 0 HG21 VAL A 897 -4.532 2.926 4.118 1.00 66.50 H new ATOM 0 HG22 VAL A 897 -4.790 1.660 5.034 1.00 66.50 H new ATOM 0 HG23 VAL A 897 -6.002 2.365 4.296 1.00 66.50 H new ATOM 472 N VAL A 898 -8.715 2.097 6.863 1.00 69.32 N ATOM 473 CA VAL A 898 -10.162 2.109 6.518 1.00 70.54 C ATOM 474 C VAL A 898 -10.480 2.779 5.149 1.00 71.49 C ATOM 475 O VAL A 898 -10.216 2.209 4.069 1.00 72.17 O ATOM 476 CB VAL A 898 -11.145 2.649 7.693 1.00 70.63 C ATOM 477 CG1 VAL A 898 -11.963 1.474 8.376 1.00 70.55 C ATOM 478 CG2 VAL A 898 -10.431 3.601 8.741 1.00 69.93 C ATOM 0 H VAL A 898 -8.475 1.364 7.244 1.00 69.32 H new ATOM 0 HA VAL A 898 -10.366 1.165 6.423 1.00 70.54 H new ATOM 0 HB VAL A 898 -11.794 3.218 7.250 1.00 70.63 H new ATOM 0 HG11 VAL A 898 -12.535 1.838 9.069 1.00 70.55 H new ATOM 0 HG12 VAL A 898 -12.508 1.028 7.709 1.00 70.55 H new ATOM 0 HG13 VAL A 898 -11.347 0.836 8.768 1.00 70.55 H new ATOM 0 HG21 VAL A 898 -11.073 3.885 9.411 1.00 69.93 H new ATOM 0 HG22 VAL A 898 -9.705 3.122 9.171 1.00 69.93 H new ATOM 0 HG23 VAL A 898 -10.077 4.379 8.283 1.00 69.93 H new TER 479 VAL A 898 ATOM 480 N ASP B 218 -1.774 13.360 20.127 1.00 76.41 N ATOM 481 CA ASP B 218 -3.015 12.522 20.224 1.00 76.92 C ATOM 482 C ASP B 218 -2.791 11.452 21.338 1.00 75.95 C ATOM 483 O ASP B 218 -1.713 11.436 21.947 1.00 76.40 O ATOM 484 CB ASP B 218 -3.477 11.955 18.832 1.00 77.69 C ATOM 485 CG ASP B 218 -2.760 12.647 17.576 1.00 81.24 C ATOM 486 OD1 ASP B 218 -2.398 13.869 17.656 1.00 82.27 O ATOM 487 OD2 ASP B 218 -2.531 12.030 16.470 1.00 82.02 O ATOM 0 HA ASP B 218 -3.772 13.068 20.488 1.00 76.92 H new ATOM 0 HB2 ASP B 218 -3.302 11.001 18.807 1.00 77.69 H new ATOM 0 HB3 ASP B 218 -4.437 12.070 18.749 1.00 77.69 H new ATOM 488 N PRO B 219 -3.770 10.593 21.648 1.00 74.79 N ATOM 489 CA PRO B 219 -3.726 9.839 22.925 1.00 73.79 C ATOM 490 C PRO B 219 -2.485 8.885 23.190 1.00 71.83 C ATOM 491 O PRO B 219 -1.580 9.234 23.985 1.00 70.58 O ATOM 492 CB PRO B 219 -5.106 9.108 22.951 1.00 74.37 C ATOM 493 CG PRO B 219 -5.555 9.033 21.476 1.00 74.44 C ATOM 494 CD PRO B 219 -4.990 10.290 20.868 1.00 74.87 C ATOM 0 HA PRO B 219 -3.582 10.451 23.664 1.00 73.79 H new ATOM 0 HB2 PRO B 219 -5.026 8.222 23.338 1.00 74.37 H new ATOM 0 HB3 PRO B 219 -5.750 9.595 23.489 1.00 74.37 H new ATOM 0 HG2 PRO B 219 -5.210 8.239 21.038 1.00 74.44 H new ATOM 0 HG3 PRO B 219 -6.521 9.003 21.399 1.00 74.44 H new ATOM 0 HD2 PRO B 219 -4.781 10.161 19.930 1.00 74.87 H new ATOM 0 HD3 PRO B 219 -5.627 11.020 20.919 1.00 74.87 H new ATOM 495 N ALA B 220 -2.567 7.668 22.622 1.00 69.26 N ATOM 496 CA ALA B 220 -1.438 6.837 22.228 1.00 65.94 C ATOM 497 C ALA B 220 -1.799 6.120 20.876 1.00 64.18 C ATOM 498 O ALA B 220 -1.626 4.924 20.647 1.00 63.31 O ATOM 499 CB ALA B 220 -1.063 5.935 23.266 1.00 65.35 C ATOM 0 H ALA B 220 -3.324 7.296 22.452 1.00 69.26 H new ATOM 0 HA ALA B 220 -0.652 7.386 22.081 1.00 65.94 H new ATOM 0 HB1 ALA B 220 -0.311 5.398 22.972 1.00 65.35 H new ATOM 0 HB2 ALA B 220 -0.812 6.438 24.057 1.00 65.35 H new ATOM 0 HB3 ALA B 220 -1.811 5.355 23.477 1.00 65.35 H new ATOM 500 N ASP B 221 -2.334 6.936 19.981 1.00 61.46 N ATOM 501 CA ASP B 221 -2.054 6.819 18.581 1.00 58.25 C ATOM 502 C ASP B 221 -0.546 6.997 18.442 1.00 55.80 C ATOM 503 O ASP B 221 0.060 6.494 17.472 1.00 56.30 O ATOM 504 CB ASP B 221 -2.675 8.007 17.832 1.00 58.89 C ATOM 505 CG ASP B 221 -4.190 7.991 17.821 1.00 60.99 C ATOM 506 OD1 ASP B 221 -4.769 9.109 17.793 1.00 64.13 O ATOM 507 OD2 ASP B 221 -4.884 6.941 17.820 1.00 62.60 O ATOM 0 H ASP B 221 -2.873 7.576 20.180 1.00 61.46 H new ATOM 0 HA ASP B 221 -2.391 5.977 18.236 1.00 58.25 H new ATOM 0 HB2 ASP B 221 -2.371 8.832 18.241 1.00 58.89 H new ATOM 0 HB3 ASP B 221 -2.352 8.008 16.917 1.00 58.89 H new ATOM 508 N LEU B 222 0.057 7.751 19.368 1.00 51.58 N ATOM 509 CA LEU B 222 1.475 8.015 19.307 1.00 48.20 C ATOM 510 C LEU B 222 2.308 6.748 19.450 1.00 45.33 C ATOM 511 O LEU B 222 3.339 6.594 18.793 1.00 44.61 O ATOM 512 CB LEU B 222 1.858 9.015 20.365 1.00 48.86 C ATOM 513 CG LEU B 222 1.964 10.471 19.870 1.00 51.90 C ATOM 514 CD1 LEU B 222 0.865 10.891 18.827 1.00 51.74 C ATOM 515 CD2 LEU B 222 1.997 11.474 21.085 1.00 52.76 C ATOM 0 H LEU B 222 -0.347 8.114 20.035 1.00 51.58 H new ATOM 0 HA LEU B 222 1.664 8.382 18.429 1.00 48.20 H new ATOM 0 HB2 LEU B 222 1.204 8.977 21.080 1.00 48.86 H new ATOM 0 HB3 LEU B 222 2.711 8.753 20.746 1.00 48.86 H new ATOM 0 HG LEU B 222 2.804 10.517 19.388 1.00 51.90 H new ATOM 0 HD11 LEU B 222 1.001 11.816 18.568 1.00 51.74 H new ATOM 0 HD12 LEU B 222 0.929 10.323 18.043 1.00 51.74 H new ATOM 0 HD13 LEU B 222 -0.014 10.794 19.226 1.00 51.74 H new ATOM 0 HD21 LEU B 222 2.064 12.383 20.753 1.00 52.76 H new ATOM 0 HD22 LEU B 222 1.184 11.379 21.605 1.00 52.76 H new ATOM 0 HD23 LEU B 222 2.764 11.278 21.646 1.00 52.76 H new ATOM 516 N LEU B 223 1.838 5.854 20.312 1.00 42.02 N ATOM 517 CA LEU B 223 2.421 4.558 20.535 1.00 38.78 C ATOM 518 C LEU B 223 2.219 3.682 19.304 1.00 38.76 C ATOM 519 O LEU B 223 3.153 2.960 18.898 1.00 38.89 O ATOM 520 CB LEU B 223 1.811 3.901 21.757 1.00 36.75 C ATOM 521 CG LEU B 223 2.329 2.499 22.010 1.00 36.52 C ATOM 522 CD1 LEU B 223 3.779 2.502 22.372 1.00 35.02 C ATOM 523 CD2 LEU B 223 1.518 1.763 23.047 1.00 37.04 C ATOM 0 H LEU B 223 1.143 6.000 20.798 1.00 42.02 H new ATOM 0 HA LEU B 223 3.372 4.666 20.693 1.00 38.78 H new ATOM 0 HB2 LEU B 223 1.992 4.451 22.535 1.00 36.75 H new ATOM 0 HB3 LEU B 223 0.847 3.868 21.651 1.00 36.75 H new ATOM 0 HG LEU B 223 2.229 2.018 21.174 1.00 36.52 H new ATOM 0 HD11 LEU B 223 4.076 1.592 22.526 1.00 35.02 H new ATOM 0 HD12 LEU B 223 4.293 2.891 21.647 1.00 35.02 H new ATOM 0 HD13 LEU B 223 3.910 3.026 23.178 1.00 35.02 H new ATOM 0 HD21 LEU B 223 1.885 0.874 23.175 1.00 37.04 H new ATOM 0 HD22 LEU B 223 1.548 2.249 23.886 1.00 37.04 H new ATOM 0 HD23 LEU B 223 0.598 1.692 22.748 1.00 37.04 H new ATOM 524 N MET B 224 1.029 3.718 18.706 1.00 38.05 N ATOM 525 CA MET B 224 0.809 2.944 17.495 1.00 38.28 C ATOM 526 C MET B 224 1.778 3.438 16.407 1.00 37.88 C ATOM 527 O MET B 224 2.355 2.638 15.668 1.00 37.61 O ATOM 528 CB MET B 224 -0.659 2.941 17.077 1.00 38.43 C ATOM 529 CG MET B 224 -0.950 2.833 15.618 1.00 42.96 C ATOM 530 SD MET B 224 -1.486 1.213 14.922 1.00 53.35 S ATOM 531 CE MET B 224 -0.124 0.149 15.488 1.00 49.89 C ATOM 0 H MET B 224 0.353 4.174 18.980 1.00 38.05 H new ATOM 0 HA MET B 224 1.007 2.009 17.658 1.00 38.28 H new ATOM 0 HB2 MET B 224 -1.099 2.203 17.527 1.00 38.43 H new ATOM 0 HB3 MET B 224 -1.067 3.757 17.406 1.00 38.43 H new ATOM 0 HG2 MET B 224 -1.640 3.482 15.410 1.00 42.96 H new ATOM 0 HG3 MET B 224 -0.151 3.105 15.141 1.00 42.96 H new ATOM 0 HE1 MET B 224 -0.045 -0.617 14.898 1.00 49.89 H new ATOM 0 HE2 MET B 224 0.706 0.652 15.477 1.00 49.89 H new ATOM 0 HE3 MET B 224 -0.305 -0.156 16.391 1.00 49.89 H new ATOM 532 N GLU B 225 1.994 4.743 16.339 1.00 37.30 N ATOM 533 CA GLU B 225 2.898 5.260 15.362 1.00 37.75 C ATOM 534 C GLU B 225 4.343 4.749 15.585 1.00 37.60 C ATOM 535 O GLU B 225 5.043 4.392 14.615 1.00 37.87 O ATOM 536 CB GLU B 225 2.825 6.776 15.342 1.00 37.72 C ATOM 537 CG GLU B 225 1.675 7.310 14.497 1.00 43.25 C ATOM 538 CD GLU B 225 1.025 8.615 15.032 1.00 49.70 C ATOM 539 OE1 GLU B 225 1.751 9.599 15.356 1.00 50.59 O ATOM 540 OE2 GLU B 225 -0.238 8.647 15.140 1.00 50.98 O ATOM 0 H GLU B 225 1.626 5.331 16.848 1.00 37.30 H new ATOM 0 HA GLU B 225 2.629 4.932 14.490 1.00 37.75 H new ATOM 0 HB2 GLU B 225 2.729 7.101 16.251 1.00 37.72 H new ATOM 0 HB3 GLU B 225 3.661 7.130 15.001 1.00 37.72 H new ATOM 0 HG2 GLU B 225 1.999 7.470 13.597 1.00 43.25 H new ATOM 0 HG3 GLU B 225 0.991 6.625 14.434 1.00 43.25 H new ATOM 541 N LYS B 226 4.780 4.733 16.842 1.00 37.11 N ATOM 542 CA LYS B 226 6.114 4.316 17.243 1.00 37.05 C ATOM 543 C LYS B 226 6.295 2.808 16.934 1.00 36.11 C ATOM 544 O LYS B 226 7.280 2.392 16.327 1.00 35.61 O ATOM 545 CB LYS B 226 6.254 4.586 18.747 1.00 37.95 C ATOM 546 CG LYS B 226 7.672 4.357 19.436 1.00 45.28 C ATOM 547 CD LYS B 226 8.590 5.666 19.440 1.00 55.10 C ATOM 548 CE LYS B 226 10.075 5.494 19.934 1.00 57.46 C ATOM 549 NZ LYS B 226 10.273 5.585 21.453 1.00 58.35 N ATOM 0 H LYS B 226 4.288 4.974 17.505 1.00 37.11 H new ATOM 0 HA LYS B 226 6.796 4.806 16.758 1.00 37.05 H new ATOM 0 HB2 LYS B 226 5.995 5.507 18.906 1.00 37.95 H new ATOM 0 HB3 LYS B 226 5.609 4.027 19.208 1.00 37.95 H new ATOM 0 HG2 LYS B 226 7.537 4.061 20.350 1.00 45.28 H new ATOM 0 HG3 LYS B 226 8.138 3.644 18.973 1.00 45.28 H new ATOM 0 HD2 LYS B 226 8.611 6.022 18.538 1.00 55.10 H new ATOM 0 HD3 LYS B 226 8.162 6.333 19.999 1.00 55.10 H new ATOM 0 HE2 LYS B 226 10.404 4.634 19.630 1.00 57.46 H new ATOM 0 HE3 LYS B 226 10.623 6.173 19.510 1.00 57.46 H new ATOM 0 HZ1 LYS B 226 11.135 5.478 21.647 1.00 58.35 H new ATOM 0 HZ2 LYS B 226 10.001 6.382 21.741 1.00 58.35 H new ATOM 0 HZ3 LYS B 226 9.798 4.948 21.853 1.00 58.35 H new ATOM 550 N LEU B 227 5.323 1.983 17.308 1.00 34.72 N ATOM 551 CA LEU B 227 5.451 0.550 17.073 1.00 33.76 C ATOM 552 C LEU B 227 5.419 0.265 15.619 1.00 34.22 C ATOM 553 O LEU B 227 5.944 -0.737 15.192 1.00 35.69 O ATOM 554 CB LEU B 227 4.322 -0.254 17.733 1.00 32.69 C ATOM 555 CG LEU B 227 4.274 -0.276 19.257 1.00 31.55 C ATOM 556 CD1 LEU B 227 3.060 -0.992 19.762 1.00 30.62 C ATOM 557 CD2 LEU B 227 5.549 -0.855 19.843 1.00 27.72 C ATOM 0 H LEU B 227 4.594 2.227 17.693 1.00 34.72 H new ATOM 0 HA LEU B 227 6.298 0.282 17.464 1.00 33.76 H new ATOM 0 HB2 LEU B 227 3.477 0.097 17.412 1.00 32.69 H new ATOM 0 HB3 LEU B 227 4.385 -1.171 17.422 1.00 32.69 H new ATOM 0 HG LEU B 227 4.208 0.644 19.557 1.00 31.55 H new ATOM 0 HD11 LEU B 227 3.061 -0.987 20.732 1.00 30.62 H new ATOM 0 HD12 LEU B 227 2.262 -0.545 19.438 1.00 30.62 H new ATOM 0 HD13 LEU B 227 3.069 -1.908 19.444 1.00 30.62 H new ATOM 0 HD21 LEU B 227 5.489 -0.856 20.811 1.00 27.72 H new ATOM 0 HD22 LEU B 227 5.667 -1.764 19.526 1.00 27.72 H new ATOM 0 HD23 LEU B 227 6.306 -0.315 19.567 1.00 27.72 H new ATOM 558 N GLU B 228 4.751 1.120 14.867 1.00 34.10 N ATOM 559 CA GLU B 228 4.627 0.966 13.445 1.00 34.29 C ATOM 560 C GLU B 228 5.921 1.278 12.734 1.00 33.90 C ATOM 561 O GLU B 228 6.341 0.511 11.888 1.00 33.02 O ATOM 562 CB GLU B 228 3.564 1.899 12.947 1.00 34.75 C ATOM 563 CG GLU B 228 2.302 1.189 12.557 1.00 36.88 C ATOM 564 CD GLU B 228 1.372 2.107 11.795 1.00 40.42 C ATOM 565 OE1 GLU B 228 1.817 2.822 10.884 1.00 44.14 O ATOM 566 OE2 GLU B 228 0.190 2.117 12.096 1.00 42.00 O ATOM 0 H GLU B 228 4.353 1.815 15.179 1.00 34.10 H new ATOM 0 HA GLU B 228 4.395 0.042 13.260 1.00 34.29 H new ATOM 0 HB2 GLU B 228 3.363 2.551 13.637 1.00 34.75 H new ATOM 0 HB3 GLU B 228 3.903 2.390 12.182 1.00 34.75 H new ATOM 0 HG2 GLU B 228 2.518 0.417 12.011 1.00 36.88 H new ATOM 0 HG3 GLU B 228 1.855 0.858 13.352 1.00 36.88 H new ATOM 567 N GLN B 229 6.508 2.432 13.044 1.00 34.02 N ATOM 568 CA GLN B 229 7.813 2.808 12.545 1.00 34.97 C ATOM 569 C GLN B 229 8.819 1.758 12.916 1.00 34.59 C ATOM 570 O GLN B 229 9.687 1.476 12.140 1.00 35.39 O ATOM 571 CB GLN B 229 8.308 4.126 13.135 1.00 35.71 C ATOM 572 CG GLN B 229 9.027 5.085 12.156 1.00 42.33 C ATOM 573 CD GLN B 229 10.043 4.382 11.192 1.00 54.53 C ATOM 574 OE1 GLN B 229 11.125 3.926 11.645 1.00 61.21 O ATOM 575 NE2 GLN B 229 9.690 4.268 9.878 1.00 54.02 N ATOM 0 H GLN B 229 6.149 3.022 13.557 1.00 34.02 H new ATOM 0 HA GLN B 229 7.722 2.902 11.584 1.00 34.97 H new ATOM 0 HB2 GLN B 229 7.549 4.593 13.517 1.00 35.71 H new ATOM 0 HB3 GLN B 229 8.914 3.925 13.865 1.00 35.71 H new ATOM 0 HG2 GLN B 229 8.360 5.547 11.624 1.00 42.33 H new ATOM 0 HG3 GLN B 229 9.498 5.760 12.669 1.00 42.33 H new ATOM 0 HE21 GLN B 229 8.942 4.592 9.604 1.00 54.02 H new ATOM 0 HE22 GLN B 229 10.216 3.872 9.324 1.00 54.02 H new ATOM 576 N ASP B 230 8.738 1.163 14.092 1.00 34.66 N ATOM 577 CA ASP B 230 9.813 0.260 14.494 1.00 34.11 C ATOM 578 C ASP B 230 9.804 -0.999 13.673 1.00 32.82 C ATOM 579 O ASP B 230 10.863 -1.509 13.281 1.00 32.32 O ATOM 580 CB ASP B 230 9.732 -0.093 15.970 1.00 34.88 C ATOM 581 CG ASP B 230 10.044 1.069 16.849 1.00 39.13 C ATOM 582 OD1 ASP B 230 10.785 1.955 16.374 1.00 40.35 O ATOM 583 OD2 ASP B 230 9.560 1.200 18.029 1.00 48.32 O ATOM 0 H ASP B 230 8.097 1.259 14.657 1.00 34.66 H new ATOM 0 HA ASP B 230 10.645 0.733 14.337 1.00 34.11 H new ATOM 0 HB2 ASP B 230 8.842 -0.420 16.174 1.00 34.88 H new ATOM 0 HB3 ASP B 230 10.350 -0.816 16.162 1.00 34.88 H new ATOM 584 N PHE B 231 8.598 -1.494 13.439 1.00 31.81 N ATOM 585 CA PHE B 231 8.400 -2.684 12.685 1.00 32.40 C ATOM 586 C PHE B 231 8.887 -2.445 11.271 1.00 33.83 C ATOM 587 O PHE B 231 9.611 -3.253 10.716 1.00 35.57 O ATOM 588 CB PHE B 231 6.931 -3.047 12.659 1.00 31.63 C ATOM 589 CG PHE B 231 6.652 -4.266 11.875 1.00 32.07 C ATOM 590 CD1 PHE B 231 6.568 -5.501 12.492 1.00 32.72 C ATOM 591 CD2 PHE B 231 6.523 -4.202 10.496 1.00 34.03 C ATOM 592 CE1 PHE B 231 6.325 -6.693 11.748 1.00 32.37 C ATOM 593 CE2 PHE B 231 6.320 -5.388 9.748 1.00 33.98 C ATOM 594 CZ PHE B 231 6.230 -6.644 10.388 1.00 30.16 C ATOM 0 H PHE B 231 7.871 -1.133 13.724 1.00 31.81 H new ATOM 0 HA PHE B 231 8.893 -3.414 13.092 1.00 32.40 H new ATOM 0 HB2 PHE B 231 6.618 -3.175 13.568 1.00 31.63 H new ATOM 0 HB3 PHE B 231 6.427 -2.307 12.287 1.00 31.63 H new ATOM 0 HD1 PHE B 231 6.673 -5.555 13.415 1.00 32.72 H new ATOM 0 HD2 PHE B 231 6.570 -3.381 10.062 1.00 34.03 H new ATOM 0 HE1 PHE B 231 6.231 -7.505 12.191 1.00 32.37 H new ATOM 0 HE2 PHE B 231 6.245 -5.339 8.822 1.00 33.98 H new ATOM 0 HZ PHE B 231 6.108 -7.422 9.892 1.00 30.16 H new ATOM 595 N VAL B 232 8.486 -1.331 10.691 1.00 34.65 N ATOM 596 CA VAL B 232 8.739 -1.041 9.309 1.00 36.12 C ATOM 597 C VAL B 232 10.233 -0.870 9.141 1.00 36.28 C ATOM 598 O VAL B 232 10.849 -1.285 8.153 1.00 36.65 O ATOM 599 CB VAL B 232 7.900 0.244 8.853 1.00 36.97 C ATOM 600 CG1 VAL B 232 8.432 0.859 7.574 1.00 37.73 C ATOM 601 CG2 VAL B 232 6.395 -0.110 8.671 1.00 36.39 C ATOM 0 H VAL B 232 8.051 -0.714 11.102 1.00 34.65 H new ATOM 0 HA VAL B 232 8.448 -1.765 8.733 1.00 36.12 H new ATOM 0 HB VAL B 232 7.996 0.899 9.562 1.00 36.97 H new ATOM 0 HG11 VAL B 232 7.894 1.631 7.338 1.00 37.73 H new ATOM 0 HG12 VAL B 232 9.353 1.135 7.706 1.00 37.73 H new ATOM 0 HG13 VAL B 232 8.390 0.205 6.859 1.00 37.73 H new ATOM 0 HG21 VAL B 232 5.907 0.682 8.395 1.00 36.39 H new ATOM 0 HG22 VAL B 232 6.304 -0.798 7.993 1.00 36.39 H new ATOM 0 HG23 VAL B 232 6.035 -0.435 9.511 1.00 36.39 H new ATOM 602 N SER B 233 10.853 -0.291 10.129 1.00 36.98 N ATOM 603 CA SER B 233 12.249 0.023 9.932 1.00 38.90 C ATOM 604 C SER B 233 13.123 -1.254 10.028 1.00 38.70 C ATOM 605 O SER B 233 14.242 -1.333 9.476 1.00 38.42 O ATOM 606 CB SER B 233 12.670 1.162 10.864 1.00 38.40 C ATOM 607 OG SER B 233 13.557 0.623 11.808 1.00 44.21 O ATOM 0 H SER B 233 10.513 -0.076 10.889 1.00 36.98 H new ATOM 0 HA SER B 233 12.392 0.354 9.032 1.00 38.90 H new ATOM 0 HB2 SER B 233 13.096 1.874 10.362 1.00 38.40 H new ATOM 0 HB3 SER B 233 11.896 1.548 11.303 1.00 38.40 H new ATOM 0 HG SER B 233 13.807 1.228 12.335 1.00 44.21 H new ATOM 608 N ARG B 234 12.561 -2.262 10.690 1.00 39.02 N ATOM 609 CA ARG B 234 13.132 -3.591 10.711 1.00 39.63 C ATOM 610 C ARG B 234 12.984 -4.319 9.398 1.00 39.40 C ATOM 611 O ARG B 234 13.885 -5.040 8.970 1.00 40.11 O ATOM 612 CB ARG B 234 12.493 -4.401 11.808 1.00 39.88 C ATOM 613 CG ARG B 234 13.530 -4.813 12.833 1.00 45.35 C ATOM 614 CD ARG B 234 13.861 -6.289 12.752 1.00 54.48 C ATOM 615 NE ARG B 234 15.172 -6.764 13.240 1.00 57.08 N ATOM 616 CZ ARG B 234 15.534 -6.863 14.520 1.00 59.88 C ATOM 617 NH1 ARG B 234 14.751 -6.447 15.517 1.00 59.51 N ATOM 618 NH2 ARG B 234 16.725 -7.364 14.811 1.00 66.95 N ATOM 0 H ARG B 234 11.833 -2.187 11.141 1.00 39.02 H new ATOM 0 HA ARG B 234 14.083 -3.486 10.873 1.00 39.63 H new ATOM 0 HB2 ARG B 234 11.795 -3.882 12.237 1.00 39.88 H new ATOM 0 HB3 ARG B 234 12.070 -5.189 11.432 1.00 39.88 H new ATOM 0 HG2 ARG B 234 14.339 -4.294 12.699 1.00 45.35 H new ATOM 0 HG3 ARG B 234 13.204 -4.605 13.722 1.00 45.35 H new ATOM 0 HD2 ARG B 234 13.176 -6.769 13.243 1.00 54.48 H new ATOM 0 HD3 ARG B 234 13.782 -6.555 11.822 1.00 54.48 H new ATOM 0 HE ARG B 234 15.751 -6.997 12.648 1.00 57.08 H new ATOM 0 HH11 ARG B 234 13.983 -6.101 15.345 1.00 59.51 H new ATOM 0 HH12 ARG B 234 15.014 -6.525 16.332 1.00 59.51 H new ATOM 0 HH21 ARG B 234 17.250 -7.619 14.180 1.00 66.95 H new ATOM 0 HH22 ARG B 234 16.973 -7.434 15.631 1.00 66.95 H new ATOM 619 N VAL B 235 11.844 -4.138 8.745 1.00 39.30 N ATOM 620 CA VAL B 235 11.647 -4.723 7.417 1.00 38.59 C ATOM 621 C VAL B 235 12.673 -4.181 6.453 1.00 38.42 C ATOM 622 O VAL B 235 13.212 -4.892 5.624 1.00 38.00 O ATOM 623 CB VAL B 235 10.236 -4.463 6.903 1.00 38.71 C ATOM 624 CG1 VAL B 235 10.183 -4.592 5.400 1.00 35.39 C ATOM 625 CG2 VAL B 235 9.258 -5.431 7.600 1.00 36.58 C ATOM 0 H VAL B 235 11.177 -3.686 9.045 1.00 39.30 H new ATOM 0 HA VAL B 235 11.762 -5.683 7.489 1.00 38.59 H new ATOM 0 HB VAL B 235 9.972 -3.554 7.116 1.00 38.71 H new ATOM 0 HG11 VAL B 235 9.279 -4.423 5.092 1.00 35.39 H new ATOM 0 HG12 VAL B 235 10.786 -3.947 4.998 1.00 35.39 H new ATOM 0 HG13 VAL B 235 10.450 -5.488 5.142 1.00 35.39 H new ATOM 0 HG21 VAL B 235 8.358 -5.270 7.277 1.00 36.58 H new ATOM 0 HG22 VAL B 235 9.513 -6.346 7.404 1.00 36.58 H new ATOM 0 HG23 VAL B 235 9.287 -5.286 8.559 1.00 36.58 H new ATOM 626 N THR B 236 12.953 -2.906 6.610 1.00 38.83 N ATOM 627 CA THR B 236 13.963 -2.258 5.819 1.00 39.37 C ATOM 628 C THR B 236 15.353 -2.825 6.105 1.00 39.73 C ATOM 629 O THR B 236 16.125 -3.049 5.177 1.00 39.66 O ATOM 630 CB THR B 236 13.835 -0.725 6.005 1.00 39.57 C ATOM 631 OG1 THR B 236 12.590 -0.342 5.426 1.00 40.12 O ATOM 632 CG2 THR B 236 14.932 0.115 5.226 1.00 35.97 C ATOM 0 H THR B 236 12.562 -2.393 7.179 1.00 38.83 H new ATOM 0 HA THR B 236 13.826 -2.442 4.876 1.00 39.37 H new ATOM 0 HB THR B 236 13.928 -0.547 6.954 1.00 39.57 H new ATOM 0 HG1 THR B 236 12.661 -0.332 4.589 1.00 40.12 H new ATOM 0 HG21 THR B 236 14.791 1.061 5.388 1.00 35.97 H new ATOM 0 HG22 THR B 236 15.815 -0.138 5.538 1.00 35.97 H new ATOM 0 HG23 THR B 236 14.862 -0.064 4.275 1.00 35.97 H new ATOM 633 N GLU B 237 15.675 -3.094 7.358 1.00 40.04 N ATOM 634 CA GLU B 237 16.925 -3.779 7.596 1.00 41.19 C ATOM 635 C GLU B 237 17.050 -5.059 6.734 1.00 40.33 C ATOM 636 O GLU B 237 18.093 -5.280 6.154 1.00 40.52 O ATOM 637 CB GLU B 237 17.034 -4.193 9.030 1.00 42.69 C ATOM 638 CG GLU B 237 17.284 -3.148 10.095 1.00 48.97 C ATOM 639 CD GLU B 237 17.547 -3.846 11.453 1.00 59.01 C ATOM 640 OE1 GLU B 237 17.769 -5.108 11.480 1.00 59.77 O ATOM 641 OE2 GLU B 237 17.534 -3.149 12.512 1.00 63.73 O ATOM 0 H GLU B 237 15.208 -2.899 8.053 1.00 40.04 H new ATOM 0 HA GLU B 237 17.630 -3.155 7.361 1.00 41.19 H new ATOM 0 HB2 GLU B 237 16.212 -4.652 9.262 1.00 42.69 H new ATOM 0 HB3 GLU B 237 17.750 -4.845 9.090 1.00 42.69 H new ATOM 0 HG2 GLU B 237 18.045 -2.599 9.850 1.00 48.97 H new ATOM 0 HG3 GLU B 237 16.519 -2.557 10.167 1.00 48.97 H new ATOM 642 N CYS B 238 16.022 -5.906 6.648 1.00 39.54 N ATOM 643 CA CYS B 238 16.115 -7.097 5.782 1.00 40.24 C ATOM 644 C CYS B 238 16.265 -6.755 4.328 1.00 39.50 C ATOM 645 O CYS B 238 17.223 -7.179 3.673 1.00 39.55 O ATOM 646 CB CYS B 238 14.919 -8.035 5.928 1.00 39.72 C ATOM 647 SG CYS B 238 14.876 -8.618 7.611 1.00 48.90 S ATOM 0 H CYS B 238 15.278 -5.818 7.069 1.00 39.54 H new ATOM 0 HA CYS B 238 16.917 -7.549 6.089 1.00 40.24 H new ATOM 0 HB2 CYS B 238 14.096 -7.571 5.709 1.00 39.72 H new ATOM 0 HB3 CYS B 238 14.996 -8.781 5.313 1.00 39.72 H new ATOM 0 HG CYS B 238 13.743 -8.620 8.005 1.00 48.90 H new ATOM 648 N LEU B 239 15.302 -6.003 3.802 1.00 38.87 N ATOM 649 CA LEU B 239 15.270 -5.810 2.374 1.00 37.67 C ATOM 650 C LEU B 239 16.514 -5.055 1.849 1.00 38.29 C ATOM 651 O LEU B 239 17.003 -5.382 0.780 1.00 37.72 O ATOM 652 CB LEU B 239 13.936 -5.222 1.936 1.00 36.86 C ATOM 653 CG LEU B 239 12.685 -5.977 2.352 1.00 32.70 C ATOM 654 CD1 LEU B 239 11.528 -5.124 2.031 1.00 32.50 C ATOM 655 CD2 LEU B 239 12.505 -7.170 1.553 1.00 32.09 C ATOM 0 H LEU B 239 14.679 -5.610 4.246 1.00 38.87 H new ATOM 0 HA LEU B 239 15.329 -6.679 1.947 1.00 37.67 H new ATOM 0 HB2 LEU B 239 13.874 -4.319 2.285 1.00 36.86 H new ATOM 0 HB3 LEU B 239 13.939 -5.152 0.969 1.00 36.86 H new ATOM 0 HG LEU B 239 12.763 -6.204 3.292 1.00 32.70 H new ATOM 0 HD11 LEU B 239 10.710 -5.579 2.285 1.00 32.50 H new ATOM 0 HD12 LEU B 239 11.597 -4.288 2.518 1.00 32.50 H new ATOM 0 HD13 LEU B 239 11.514 -4.943 1.078 1.00 32.50 H new ATOM 0 HD21 LEU B 239 11.701 -7.632 1.838 1.00 32.09 H new ATOM 0 HD22 LEU B 239 12.422 -6.924 0.618 1.00 32.09 H new ATOM 0 HD23 LEU B 239 13.271 -7.754 1.666 1.00 32.09 H new ATOM 656 N THR B 240 17.062 -4.101 2.610 1.00 38.68 N ATOM 657 CA THR B 240 18.169 -3.319 2.079 1.00 40.09 C ATOM 658 C THR B 240 19.447 -4.114 2.030 1.00 41.59 C ATOM 659 O THR B 240 20.504 -3.662 1.547 1.00 42.18 O ATOM 660 CB THR B 240 18.389 -1.998 2.793 1.00 40.08 C ATOM 661 OG1 THR B 240 18.487 -2.204 4.214 1.00 41.49 O ATOM 662 CG2 THR B 240 17.198 -1.051 2.534 1.00 38.59 C ATOM 0 H THR B 240 16.814 -3.900 3.409 1.00 38.68 H new ATOM 0 HA THR B 240 17.906 -3.099 1.172 1.00 40.09 H new ATOM 0 HB THR B 240 19.211 -1.610 2.455 1.00 40.08 H new ATOM 0 HG1 THR B 240 17.733 -2.414 4.520 1.00 41.49 H new ATOM 0 HG21 THR B 240 17.347 -0.210 2.994 1.00 38.59 H new ATOM 0 HG22 THR B 240 17.115 -0.888 1.581 1.00 38.59 H new ATOM 0 HG23 THR B 240 16.382 -1.459 2.864 1.00 38.59 H new ATOM 663 N THR B 241 19.315 -5.333 2.503 1.00 43.25 N ATOM 664 CA THR B 241 20.346 -6.327 2.365 1.00 44.65 C ATOM 665 C THR B 241 20.521 -6.625 0.893 1.00 45.51 C ATOM 666 O THR B 241 21.634 -6.904 0.485 1.00 46.38 O ATOM 667 CB THR B 241 19.900 -7.566 3.118 1.00 44.56 C ATOM 668 OG1 THR B 241 20.335 -7.442 4.477 1.00 45.05 O ATOM 669 CG2 THR B 241 20.568 -8.807 2.598 1.00 45.10 C ATOM 0 H THR B 241 18.615 -5.609 2.919 1.00 43.25 H new ATOM 0 HA THR B 241 21.193 -6.021 2.726 1.00 44.65 H new ATOM 0 HB THR B 241 18.938 -7.637 3.020 1.00 44.56 H new ATOM 0 HG1 THR B 241 20.095 -8.120 4.911 1.00 45.05 H new ATOM 0 HG21 THR B 241 20.259 -9.576 3.102 1.00 45.10 H new ATOM 0 HG22 THR B 241 20.347 -8.925 1.661 1.00 45.10 H new ATOM 0 HG23 THR B 241 21.529 -8.722 2.695 1.00 45.10 H new ATOM 670 N VAL B 242 19.432 -6.551 0.115 1.00 45.98 N ATOM 671 CA VAL B 242 19.438 -6.895 -1.301 1.00 46.21 C ATOM 672 C VAL B 242 20.192 -5.834 -2.073 1.00 47.97 C ATOM 673 O VAL B 242 20.234 -4.670 -1.656 1.00 48.32 O ATOM 674 CB VAL B 242 18.028 -7.103 -1.845 1.00 45.19 C ATOM 675 CG1 VAL B 242 18.041 -7.448 -3.273 1.00 44.45 C ATOM 676 CG2 VAL B 242 17.418 -8.221 -1.164 1.00 44.99 C ATOM 0 H VAL B 242 18.664 -6.296 0.405 1.00 45.98 H new ATOM 0 HA VAL B 242 19.894 -7.744 -1.412 1.00 46.21 H new ATOM 0 HB VAL B 242 17.543 -6.274 -1.708 1.00 45.19 H new ATOM 0 HG11 VAL B 242 17.131 -7.573 -3.584 1.00 44.45 H new ATOM 0 HG12 VAL B 242 18.459 -6.731 -3.775 1.00 44.45 H new ATOM 0 HG13 VAL B 242 18.542 -8.268 -3.403 1.00 44.45 H new ATOM 0 HG21 VAL B 242 16.521 -8.358 -1.506 1.00 44.99 H new ATOM 0 HG22 VAL B 242 17.947 -9.020 -1.315 1.00 44.99 H new ATOM 0 HG23 VAL B 242 17.376 -8.037 -0.213 1.00 44.99 H new ATOM 677 N LYS B 243 20.802 -6.265 -3.186 1.00 50.30 N ATOM 678 CA LYS B 243 21.770 -5.460 -3.935 1.00 51.61 C ATOM 679 C LYS B 243 21.210 -4.139 -4.340 1.00 50.87 C ATOM 680 O LYS B 243 20.239 -4.002 -5.120 1.00 50.60 O ATOM 681 CB LYS B 243 22.424 -6.170 -5.140 1.00 52.70 C ATOM 682 CG LYS B 243 23.931 -5.736 -5.306 1.00 57.24 C ATOM 683 CD LYS B 243 24.185 -4.683 -6.438 1.00 61.93 C ATOM 684 CE LYS B 243 25.682 -4.736 -6.945 1.00 66.61 C ATOM 685 NZ LYS B 243 25.928 -5.177 -8.401 1.00 64.65 N ATOM 0 H LYS B 243 20.662 -7.041 -3.528 1.00 50.30 H new ATOM 0 HA LYS B 243 22.489 -5.315 -3.300 1.00 51.61 H new ATOM 0 HB2 LYS B 243 22.373 -7.131 -5.020 1.00 52.70 H new ATOM 0 HB3 LYS B 243 21.933 -5.959 -5.949 1.00 52.70 H new ATOM 0 HG2 LYS B 243 24.245 -5.370 -4.464 1.00 57.24 H new ATOM 0 HG3 LYS B 243 24.464 -6.525 -5.489 1.00 57.24 H new ATOM 0 HD2 LYS B 243 23.584 -4.851 -7.180 1.00 61.93 H new ATOM 0 HD3 LYS B 243 23.985 -3.794 -6.107 1.00 61.93 H new ATOM 0 HE2 LYS B 243 26.067 -3.853 -6.831 1.00 66.61 H new ATOM 0 HE3 LYS B 243 26.173 -5.337 -6.364 1.00 66.61 H new ATOM 0 HZ1 LYS B 243 26.802 -5.168 -8.571 1.00 64.65 H new ATOM 0 HZ2 LYS B 243 25.612 -6.000 -8.520 1.00 64.65 H new ATOM 0 HZ3 LYS B 243 25.513 -4.618 -8.955 1.00 64.65 H new ATOM 686 N SER B 244 21.927 -3.169 -3.812 1.00 50.86 N ATOM 687 CA SER B 244 21.412 -1.828 -3.615 1.00 50.16 C ATOM 688 C SER B 244 19.909 -1.606 -4.205 1.00 49.15 C ATOM 689 O SER B 244 19.629 -1.444 -5.404 1.00 48.20 O ATOM 690 CB SER B 244 22.591 -0.758 -3.701 1.00 51.21 C ATOM 691 OG SER B 244 23.720 -1.106 -2.826 1.00 45.37 O ATOM 0 H SER B 244 22.741 -3.270 -3.553 1.00 50.86 H new ATOM 0 HA SER B 244 21.128 -1.635 -2.708 1.00 50.16 H new ATOM 0 HB2 SER B 244 22.902 -0.694 -4.618 1.00 51.21 H new ATOM 0 HB3 SER B 244 22.251 0.117 -3.455 1.00 51.21 H new ATOM 0 HG SER B 244 24.321 -0.523 -2.898 1.00 45.37 H new ATOM 692 N VAL B 245 19.039 -1.915 -3.231 1.00 48.03 N ATOM 693 CA VAL B 245 17.607 -1.826 -3.051 1.00 46.25 C ATOM 694 C VAL B 245 17.489 -0.978 -1.757 1.00 46.34 C ATOM 695 O VAL B 245 17.968 -1.357 -0.692 1.00 45.74 O ATOM 696 CB VAL B 245 16.959 -3.236 -2.650 1.00 46.11 C ATOM 697 CG1 VAL B 245 15.625 -3.117 -1.842 1.00 42.12 C ATOM 698 CG2 VAL B 245 16.699 -4.075 -3.830 1.00 45.43 C ATOM 0 H VAL B 245 19.370 -2.254 -2.514 1.00 48.03 H new ATOM 0 HA VAL B 245 17.179 -1.495 -3.856 1.00 46.25 H new ATOM 0 HB VAL B 245 17.626 -3.647 -2.078 1.00 46.11 H new ATOM 0 HG11 VAL B 245 15.292 -4.004 -1.635 1.00 42.12 H new ATOM 0 HG12 VAL B 245 15.788 -2.633 -1.018 1.00 42.12 H new ATOM 0 HG13 VAL B 245 14.967 -2.640 -2.372 1.00 42.12 H new ATOM 0 HG21 VAL B 245 16.308 -4.917 -3.549 1.00 45.43 H new ATOM 0 HG22 VAL B 245 16.085 -3.616 -4.424 1.00 45.43 H new ATOM 0 HG23 VAL B 245 17.532 -4.245 -4.296 1.00 45.43 H new ATOM 699 N ASN B 246 16.801 0.134 -1.918 1.00 45.92 N ATOM 700 CA ASN B 246 16.574 1.271 -1.060 1.00 45.48 C ATOM 701 C ASN B 246 15.761 1.187 0.221 1.00 45.36 C ATOM 702 O ASN B 246 14.761 0.418 0.303 1.00 44.52 O ATOM 703 CB ASN B 246 15.580 2.027 -1.908 1.00 45.95 C ATOM 704 CG ASN B 246 16.128 3.158 -2.480 1.00 46.51 C ATOM 705 OD1 ASN B 246 15.997 4.202 -1.929 1.00 57.93 O ATOM 706 ND2 ASN B 246 16.793 3.015 -3.571 1.00 46.42 N ATOM 0 H ASN B 246 16.388 0.254 -2.663 1.00 45.92 H new ATOM 0 HA ASN B 246 17.459 1.564 -0.792 1.00 45.48 H new ATOM 0 HB2 ASN B 246 15.246 1.444 -2.607 1.00 45.95 H new ATOM 0 HB3 ASN B 246 14.819 2.280 -1.362 1.00 45.95 H new ATOM 0 HD21 ASN B 246 17.170 3.696 -3.937 1.00 46.42 H new ATOM 0 HD22 ASN B 246 16.861 2.239 -3.935 1.00 46.42 H new ATOM 707 N LYS B 247 16.064 2.113 1.139 1.00 44.34 N ATOM 708 CA LYS B 247 15.111 2.434 2.180 1.00 44.12 C ATOM 709 C LYS B 247 13.755 2.797 1.578 1.00 43.92 C ATOM 710 O LYS B 247 12.726 2.364 2.071 1.00 44.48 O ATOM 711 CB LYS B 247 15.642 3.515 3.103 1.00 44.53 C ATOM 712 CG LYS B 247 14.626 4.033 4.131 1.00 48.37 C ATOM 713 CD LYS B 247 15.082 5.401 4.749 1.00 54.40 C ATOM 714 CE LYS B 247 13.999 6.100 5.640 1.00 55.73 C ATOM 715 NZ LYS B 247 14.393 6.155 7.108 1.00 57.98 N ATOM 0 H LYS B 247 16.802 2.553 1.169 1.00 44.34 H new ATOM 0 HA LYS B 247 14.980 1.644 2.728 1.00 44.12 H new ATOM 0 HB2 LYS B 247 16.415 3.169 3.576 1.00 44.53 H new ATOM 0 HB3 LYS B 247 15.949 4.261 2.565 1.00 44.53 H new ATOM 0 HG2 LYS B 247 13.760 4.141 3.707 1.00 48.37 H new ATOM 0 HG3 LYS B 247 14.516 3.378 4.838 1.00 48.37 H new ATOM 0 HD2 LYS B 247 15.878 5.253 5.283 1.00 54.40 H new ATOM 0 HD3 LYS B 247 15.330 6.002 4.029 1.00 54.40 H new ATOM 0 HE2 LYS B 247 13.851 7.002 5.315 1.00 55.73 H new ATOM 0 HE3 LYS B 247 13.158 5.625 5.552 1.00 55.73 H new ATOM 0 HZ1 LYS B 247 13.751 6.559 7.573 1.00 57.98 H new ATOM 0 HZ2 LYS B 247 14.507 5.328 7.416 1.00 57.98 H new ATOM 0 HZ3 LYS B 247 15.153 6.611 7.195 1.00 57.98 H new ATOM 716 N THR B 248 13.729 3.545 0.486 1.00 43.70 N ATOM 717 CA THR B 248 12.449 3.909 -0.147 1.00 43.78 C ATOM 718 C THR B 248 11.698 2.750 -0.771 1.00 43.91 C ATOM 719 O THR B 248 10.488 2.598 -0.548 1.00 43.53 O ATOM 720 CB THR B 248 12.697 4.925 -1.267 1.00 44.46 C ATOM 721 OG1 THR B 248 13.536 5.978 -0.770 1.00 45.16 O ATOM 722 CG2 THR B 248 11.383 5.594 -1.729 1.00 42.79 C ATOM 0 H THR B 248 14.428 3.854 0.092 1.00 43.70 H new ATOM 0 HA THR B 248 11.907 4.262 0.576 1.00 43.78 H new ATOM 0 HB THR B 248 13.103 4.446 -2.006 1.00 44.46 H new ATOM 0 HG1 THR B 248 13.676 6.537 -1.381 1.00 45.16 H new ATOM 0 HG21 THR B 248 11.575 6.230 -2.436 1.00 42.79 H new ATOM 0 HG22 THR B 248 10.774 4.916 -2.060 1.00 42.79 H new ATOM 0 HG23 THR B 248 10.975 6.057 -0.981 1.00 42.79 H new ATOM 723 N ASP B 249 12.433 2.001 -1.619 1.00 43.84 N ATOM 724 CA ASP B 249 12.023 0.736 -2.206 1.00 42.82 C ATOM 725 C ASP B 249 11.355 -0.076 -1.159 1.00 41.55 C ATOM 726 O ASP B 249 10.261 -0.595 -1.387 1.00 41.78 O ATOM 727 CB ASP B 249 13.252 -0.055 -2.644 1.00 44.35 C ATOM 728 CG ASP B 249 13.848 0.442 -3.960 1.00 47.90 C ATOM 729 OD1 ASP B 249 13.087 0.532 -4.946 1.00 55.15 O ATOM 730 OD2 ASP B 249 15.049 0.768 -4.116 1.00 48.16 O ATOM 0 H ASP B 249 13.220 2.241 -1.871 1.00 43.84 H new ATOM 0 HA ASP B 249 11.439 0.915 -2.960 1.00 42.82 H new ATOM 0 HB2 ASP B 249 13.927 -0.003 -1.950 1.00 44.35 H new ATOM 0 HB3 ASP B 249 13.012 -0.990 -2.737 1.00 44.35 H new ATOM 731 N SER B 250 11.980 -0.163 0.009 1.00 39.16 N ATOM 732 CA SER B 250 11.448 -1.070 0.978 1.00 39.32 C ATOM 733 C SER B 250 10.167 -0.650 1.657 1.00 38.42 C ATOM 734 O SER B 250 9.275 -1.501 1.941 1.00 37.66 O ATOM 735 CB SER B 250 12.490 -1.467 1.989 1.00 39.73 C ATOM 736 OG SER B 250 12.845 -0.320 2.667 1.00 44.19 O ATOM 0 H SER B 250 12.681 0.277 0.242 1.00 39.16 H new ATOM 0 HA SER B 250 11.191 -1.842 0.450 1.00 39.32 H new ATOM 0 HB2 SER B 250 12.140 -2.134 2.600 1.00 39.73 H new ATOM 0 HB3 SER B 250 13.261 -1.861 1.552 1.00 39.73 H new ATOM 0 HG SER B 250 12.612 0.353 2.221 1.00 44.19 H new ATOM 737 N GLN B 251 10.048 0.652 1.913 1.00 38.06 N ATOM 738 CA GLN B 251 8.811 1.153 2.529 1.00 37.27 C ATOM 739 C GLN B 251 7.686 0.995 1.527 1.00 35.62 C ATOM 740 O GLN B 251 6.594 0.503 1.856 1.00 35.49 O ATOM 741 CB GLN B 251 8.943 2.584 3.024 1.00 38.55 C ATOM 742 CG GLN B 251 10.360 3.019 3.408 1.00 41.70 C ATOM 743 CD GLN B 251 10.424 3.820 4.678 1.00 46.49 C ATOM 744 OE1 GLN B 251 11.529 4.540 4.884 1.00 50.48 O flip ATOM 745 NE2 GLN B 251 9.508 3.769 5.486 1.00 49.63 N flip ATOM 0 H GLN B 251 10.647 1.247 1.746 1.00 38.06 H new ATOM 0 HA GLN B 251 8.616 0.631 3.323 1.00 37.27 H new ATOM 0 HB2 GLN B 251 8.614 3.180 2.333 1.00 38.55 H new ATOM 0 HB3 GLN B 251 8.366 2.698 3.795 1.00 38.55 H new ATOM 0 HG2 GLN B 251 10.917 2.230 3.504 1.00 41.70 H new ATOM 0 HG3 GLN B 251 10.735 3.545 2.684 1.00 41.70 H new ATOM 0 HE21 GLN B 251 8.812 3.293 5.317 1.00 49.63 H new ATOM 0 HE22 GLN B 251 9.560 4.209 6.223 1.00 49.63 H new ATOM 746 N THR B 252 7.971 1.291 0.273 1.00 33.85 N ATOM 747 CA THR B 252 6.926 1.098 -0.749 1.00 33.48 C ATOM 748 C THR B 252 6.484 -0.348 -0.996 1.00 32.36 C ATOM 749 O THR B 252 5.285 -0.652 -1.016 1.00 31.92 O ATOM 750 CB THR B 252 7.352 1.657 -2.075 1.00 33.38 C ATOM 751 OG1 THR B 252 8.144 2.820 -1.856 1.00 34.76 O ATOM 752 CG2 THR B 252 6.119 2.128 -2.826 1.00 32.36 C ATOM 0 H THR B 252 8.725 1.592 -0.012 1.00 33.85 H new ATOM 0 HA THR B 252 6.169 1.572 -0.371 1.00 33.48 H new ATOM 0 HB THR B 252 7.839 0.976 -2.565 1.00 33.38 H new ATOM 0 HG1 THR B 252 8.937 2.593 -1.696 1.00 34.76 H new ATOM 0 HG21 THR B 252 6.383 2.492 -3.686 1.00 32.36 H new ATOM 0 HG22 THR B 252 5.518 1.379 -2.963 1.00 32.36 H new ATOM 0 HG23 THR B 252 5.668 2.814 -2.310 1.00 32.36 H new ATOM 753 N LEU B 253 7.469 -1.191 -1.277 1.00 30.78 N ATOM 754 CA LEU B 253 7.325 -2.606 -1.176 1.00 29.61 C ATOM 755 C LEU B 253 6.377 -3.031 -0.047 1.00 28.72 C ATOM 756 O LEU B 253 5.328 -3.637 -0.292 1.00 27.01 O ATOM 757 CB LEU B 253 8.706 -3.152 -0.888 1.00 29.89 C ATOM 758 CG LEU B 253 9.390 -3.875 -2.069 1.00 30.57 C ATOM 759 CD1 LEU B 253 8.572 -3.809 -3.410 1.00 25.02 C ATOM 760 CD2 LEU B 253 10.935 -3.523 -2.223 1.00 24.01 C ATOM 0 H LEU B 253 8.249 -0.938 -1.535 1.00 30.78 H new ATOM 0 HA LEU B 253 6.944 -2.947 -2.000 1.00 29.61 H new ATOM 0 HB2 LEU B 253 9.274 -2.419 -0.604 1.00 29.89 H new ATOM 0 HB3 LEU B 253 8.645 -3.769 -0.142 1.00 29.89 H new ATOM 0 HG LEU B 253 9.381 -4.815 -1.831 1.00 30.57 H new ATOM 0 HD11 LEU B 253 9.055 -4.280 -4.107 1.00 25.02 H new ATOM 0 HD12 LEU B 253 7.705 -4.224 -3.281 1.00 25.02 H new ATOM 0 HD13 LEU B 253 8.451 -2.882 -3.670 1.00 25.02 H new ATOM 0 HD21 LEU B 253 11.304 -4.007 -2.979 1.00 24.01 H new ATOM 0 HD22 LEU B 253 11.037 -2.570 -2.369 1.00 24.01 H new ATOM 0 HD23 LEU B 253 11.407 -3.778 -1.415 1.00 24.01 H new ATOM 761 N LEU B 254 6.745 -2.701 1.190 1.00 28.69 N ATOM 762 CA LEU B 254 5.993 -3.193 2.349 1.00 28.83 C ATOM 763 C LEU B 254 4.538 -2.703 2.360 1.00 29.25 C ATOM 764 O LEU B 254 3.584 -3.480 2.624 1.00 28.63 O ATOM 765 CB LEU B 254 6.709 -2.863 3.680 1.00 28.54 C ATOM 766 CG LEU B 254 5.959 -3.324 4.947 1.00 27.35 C ATOM 767 CD1 LEU B 254 5.581 -4.823 4.945 1.00 26.83 C ATOM 768 CD2 LEU B 254 6.720 -2.977 6.177 1.00 28.48 C ATOM 0 H LEU B 254 7.418 -2.200 1.381 1.00 28.69 H new ATOM 0 HA LEU B 254 5.962 -4.159 2.263 1.00 28.83 H new ATOM 0 HB2 LEU B 254 7.587 -3.274 3.671 1.00 28.54 H new ATOM 0 HB3 LEU B 254 6.845 -1.904 3.731 1.00 28.54 H new ATOM 0 HG LEU B 254 5.120 -2.837 4.942 1.00 27.35 H new ATOM 0 HD11 LEU B 254 5.115 -5.040 5.767 1.00 26.83 H new ATOM 0 HD12 LEU B 254 5.005 -5.011 4.188 1.00 26.83 H new ATOM 0 HD13 LEU B 254 6.386 -5.360 4.879 1.00 26.83 H new ATOM 0 HD21 LEU B 254 6.228 -3.277 6.957 1.00 28.48 H new ATOM 0 HD22 LEU B 254 7.587 -3.412 6.155 1.00 28.48 H new ATOM 0 HD23 LEU B 254 6.842 -2.016 6.222 1.00 28.48 H new ATOM 769 N THR B 255 4.357 -1.427 2.063 1.00 29.60 N ATOM 770 CA THR B 255 3.009 -0.920 2.133 1.00 31.48 C ATOM 771 C THR B 255 2.146 -1.355 0.964 1.00 32.44 C ATOM 772 O THR B 255 0.929 -1.376 1.129 1.00 34.02 O ATOM 773 CB THR B 255 2.968 0.584 2.209 1.00 31.71 C ATOM 774 OG1 THR B 255 3.609 1.107 1.042 1.00 32.70 O ATOM 775 CG2 THR B 255 3.767 1.110 3.415 1.00 31.90 C ATOM 0 H THR B 255 4.967 -0.867 1.831 1.00 29.60 H new ATOM 0 HA THR B 255 2.650 -1.302 2.949 1.00 31.48 H new ATOM 0 HB THR B 255 2.040 0.856 2.286 1.00 31.71 H new ATOM 0 HG1 THR B 255 4.442 1.040 1.126 1.00 32.70 H new ATOM 0 HG21 THR B 255 3.721 2.079 3.436 1.00 31.90 H new ATOM 0 HG22 THR B 255 3.391 0.751 4.234 1.00 31.90 H new ATOM 0 HG23 THR B 255 4.693 0.832 3.336 1.00 31.90 H new ATOM 776 N THR B 256 2.738 -1.646 -0.201 1.00 32.51 N ATOM 777 CA THR B 256 1.996 -2.175 -1.328 1.00 33.02 C ATOM 778 C THR B 256 1.589 -3.627 -1.055 1.00 34.00 C ATOM 779 O THR B 256 0.465 -4.053 -1.341 1.00 34.31 O ATOM 780 CB THR B 256 2.857 -2.133 -2.576 1.00 33.21 C ATOM 781 OG1 THR B 256 3.274 -0.787 -2.841 1.00 34.69 O ATOM 782 CG2 THR B 256 2.042 -2.494 -3.804 1.00 34.45 C ATOM 0 H THR B 256 3.578 -1.539 -0.350 1.00 32.51 H new ATOM 0 HA THR B 256 1.202 -1.634 -1.458 1.00 33.02 H new ATOM 0 HB THR B 256 3.595 -2.743 -2.421 1.00 33.21 H new ATOM 0 HG1 THR B 256 3.914 -0.587 -2.335 1.00 34.69 H new ATOM 0 HG21 THR B 256 2.609 -2.461 -4.590 1.00 34.45 H new ATOM 0 HG22 THR B 256 1.682 -3.389 -3.702 1.00 34.45 H new ATOM 0 HG23 THR B 256 1.313 -1.863 -3.906 1.00 34.45 H new ATOM 783 N PHE B 257 2.515 -4.408 -0.527 1.00 34.99 N ATOM 784 CA PHE B 257 2.255 -5.818 -0.328 1.00 35.34 C ATOM 785 C PHE B 257 1.560 -6.107 0.988 1.00 36.41 C ATOM 786 O PHE B 257 0.834 -7.099 1.093 1.00 36.03 O ATOM 787 CB PHE B 257 3.537 -6.604 -0.484 1.00 34.92 C ATOM 788 CG PHE B 257 3.770 -7.048 -1.892 1.00 33.62 C ATOM 789 CD1 PHE B 257 4.708 -6.391 -2.696 1.00 31.35 C ATOM 790 CD2 PHE B 257 3.023 -8.100 -2.424 1.00 31.41 C ATOM 791 CE1 PHE B 257 4.899 -6.756 -4.013 1.00 30.42 C ATOM 792 CE2 PHE B 257 3.202 -8.506 -3.737 1.00 31.86 C ATOM 793 CZ PHE B 257 4.138 -7.834 -4.541 1.00 33.63 C ATOM 0 H PHE B 257 3.295 -4.143 -0.279 1.00 34.99 H new ATOM 0 HA PHE B 257 1.633 -6.106 -1.014 1.00 35.34 H new ATOM 0 HB2 PHE B 257 4.284 -6.059 -0.192 1.00 34.92 H new ATOM 0 HB3 PHE B 257 3.509 -7.381 0.096 1.00 34.92 H new ATOM 0 HD1 PHE B 257 5.211 -5.696 -2.337 1.00 31.35 H new ATOM 0 HD2 PHE B 257 2.397 -8.534 -1.891 1.00 31.41 H new ATOM 0 HE1 PHE B 257 5.514 -6.305 -4.545 1.00 30.42 H new ATOM 0 HE2 PHE B 257 2.708 -9.215 -4.082 1.00 31.86 H new ATOM 0 HZ PHE B 257 4.260 -8.096 -5.425 1.00 33.63 H new ATOM 794 N GLY B 258 1.745 -5.228 1.976 1.00 37.05 N ATOM 795 CA GLY B 258 1.001 -5.359 3.230 1.00 38.49 C ATOM 796 C GLY B 258 1.725 -6.092 4.356 1.00 39.17 C ATOM 797 O GLY B 258 1.568 -5.734 5.500 1.00 38.77 O ATOM 0 H GLY B 258 2.286 -4.561 1.942 1.00 37.05 H new ATOM 0 HA2 GLY B 258 0.767 -4.471 3.542 1.00 38.49 H new ATOM 0 HA3 GLY B 258 0.169 -5.823 3.046 1.00 38.49 H new ATOM 798 N SER B 259 2.534 -7.092 3.989 1.00 40.01 N ATOM 799 CA SER B 259 3.234 -8.002 4.876 1.00 40.19 C ATOM 800 C SER B 259 4.319 -8.665 4.080 1.00 40.19 C ATOM 801 O SER B 259 4.241 -8.768 2.878 1.00 39.74 O ATOM 802 CB SER B 259 2.317 -9.109 5.341 1.00 40.38 C ATOM 803 OG SER B 259 1.913 -9.859 4.219 1.00 41.97 O ATOM 0 H SER B 259 2.693 -7.260 3.161 1.00 40.01 H new ATOM 0 HA SER B 259 3.568 -7.502 5.637 1.00 40.19 H new ATOM 0 HB2 SER B 259 2.774 -9.678 5.980 1.00 40.38 H new ATOM 0 HB3 SER B 259 1.544 -8.738 5.794 1.00 40.38 H new ATOM 0 HG SER B 259 1.403 -10.479 4.465 1.00 41.97 H new ATOM 804 N LEU B 260 5.342 -9.130 4.780 1.00 41.54 N ATOM 805 CA LEU B 260 6.434 -9.858 4.171 1.00 41.59 C ATOM 806 C LEU B 260 5.945 -11.186 3.609 1.00 41.78 C ATOM 807 O LEU B 260 6.439 -11.687 2.620 1.00 42.40 O ATOM 808 CB LEU B 260 7.480 -10.095 5.219 1.00 41.31 C ATOM 809 CG LEU B 260 8.541 -9.003 5.170 1.00 43.51 C ATOM 810 CD1 LEU B 260 9.419 -9.091 6.408 1.00 45.74 C ATOM 811 CD2 LEU B 260 9.426 -9.100 3.915 1.00 45.26 C ATOM 0 H LEU B 260 5.420 -9.029 5.631 1.00 41.54 H new ATOM 0 HA LEU B 260 6.804 -9.343 3.437 1.00 41.59 H new ATOM 0 HB2 LEU B 260 7.068 -10.114 6.097 1.00 41.31 H new ATOM 0 HB3 LEU B 260 7.893 -10.962 5.081 1.00 41.31 H new ATOM 0 HG LEU B 260 8.077 -8.152 5.139 1.00 43.51 H new ATOM 0 HD11 LEU B 260 10.094 -8.395 6.376 1.00 45.74 H new ATOM 0 HD12 LEU B 260 8.873 -8.975 7.201 1.00 45.74 H new ATOM 0 HD13 LEU B 260 9.851 -9.959 6.438 1.00 45.74 H new ATOM 0 HD21 LEU B 260 10.084 -8.387 3.927 1.00 45.26 H new ATOM 0 HD22 LEU B 260 9.879 -9.958 3.904 1.00 45.26 H new ATOM 0 HD23 LEU B 260 8.874 -9.016 3.122 1.00 45.26 H new ATOM 812 N GLU B 261 4.945 -11.751 4.227 1.00 41.40 N ATOM 813 CA GLU B 261 4.378 -12.929 3.689 1.00 42.34 C ATOM 814 C GLU B 261 3.865 -12.715 2.260 1.00 41.70 C ATOM 815 O GLU B 261 4.085 -13.537 1.425 1.00 41.89 O ATOM 816 CB GLU B 261 3.321 -13.428 4.661 1.00 43.21 C ATOM 817 CG GLU B 261 1.930 -13.630 4.131 1.00 50.33 C ATOM 818 CD GLU B 261 1.549 -15.086 4.231 1.00 60.69 C ATOM 819 OE1 GLU B 261 0.407 -15.407 4.714 1.00 66.19 O ATOM 820 OE2 GLU B 261 2.425 -15.906 3.851 1.00 63.35 O ATOM 0 H GLU B 261 4.586 -11.465 4.955 1.00 41.40 H new ATOM 0 HA GLU B 261 5.052 -13.620 3.595 1.00 42.34 H new ATOM 0 HB2 GLU B 261 3.627 -14.272 5.028 1.00 43.21 H new ATOM 0 HB3 GLU B 261 3.272 -12.799 5.398 1.00 43.21 H new ATOM 0 HG2 GLU B 261 1.302 -13.088 4.634 1.00 50.33 H new ATOM 0 HG3 GLU B 261 1.882 -13.337 3.207 1.00 50.33 H new ATOM 821 N GLN B 262 3.194 -11.622 1.943 1.00 41.44 N ATOM 822 CA GLN B 262 2.720 -11.486 0.586 1.00 41.18 C ATOM 823 C GLN B 262 3.923 -11.175 -0.279 1.00 41.13 C ATOM 824 O GLN B 262 4.024 -11.583 -1.441 1.00 40.69 O ATOM 825 CB GLN B 262 1.692 -10.371 0.444 1.00 41.30 C ATOM 826 CG GLN B 262 0.363 -10.604 1.105 1.00 43.35 C ATOM 827 CD GLN B 262 -0.425 -11.811 0.575 1.00 47.40 C ATOM 828 OE1 GLN B 262 -0.063 -12.432 -0.417 1.00 49.87 O ATOM 829 NE2 GLN B 262 -1.503 -12.143 1.261 1.00 48.96 N ATOM 0 H GLN B 262 3.009 -10.973 2.476 1.00 41.44 H new ATOM 0 HA GLN B 262 2.283 -12.309 0.317 1.00 41.18 H new ATOM 0 HB2 GLN B 262 2.074 -9.556 0.807 1.00 41.30 H new ATOM 0 HB3 GLN B 262 1.539 -10.216 -0.501 1.00 41.30 H new ATOM 0 HG2 GLN B 262 0.507 -10.722 2.057 1.00 43.35 H new ATOM 0 HG3 GLN B 262 -0.180 -9.808 0.997 1.00 43.35 H new ATOM 0 HE21 GLN B 262 -1.730 -11.686 1.953 1.00 48.96 H new ATOM 0 HE22 GLN B 262 -1.978 -12.816 1.016 1.00 48.96 H new ATOM 830 N LEU B 263 4.854 -10.461 0.301 1.00 41.11 N ATOM 831 CA LEU B 263 6.000 -10.058 -0.455 1.00 43.06 C ATOM 832 C LEU B 263 6.847 -11.226 -0.994 1.00 44.93 C ATOM 833 O LEU B 263 7.401 -11.145 -2.082 1.00 46.20 O ATOM 834 CB LEU B 263 6.831 -9.193 0.429 1.00 42.90 C ATOM 835 CG LEU B 263 7.649 -8.114 -0.207 1.00 41.97 C ATOM 836 CD1 LEU B 263 8.038 -7.230 0.963 1.00 43.80 C ATOM 837 CD2 LEU B 263 8.827 -8.742 -0.722 1.00 40.19 C ATOM 0 H LEU B 263 4.841 -10.203 1.121 1.00 41.11 H new ATOM 0 HA LEU B 263 5.687 -9.588 -1.244 1.00 43.06 H new ATOM 0 HB2 LEU B 263 6.241 -8.775 1.075 1.00 42.90 H new ATOM 0 HB3 LEU B 263 7.434 -9.768 0.926 1.00 42.90 H new ATOM 0 HG LEU B 263 7.199 -7.626 -0.914 1.00 41.97 H new ATOM 0 HD11 LEU B 263 8.579 -6.491 0.644 1.00 43.80 H new ATOM 0 HD12 LEU B 263 7.237 -6.885 1.388 1.00 43.80 H new ATOM 0 HD13 LEU B 263 8.547 -7.749 1.606 1.00 43.80 H new ATOM 0 HD21 LEU B 263 9.390 -8.076 -1.146 1.00 40.19 H new ATOM 0 HD22 LEU B 263 9.314 -9.162 0.004 1.00 40.19 H new ATOM 0 HD23 LEU B 263 8.576 -9.415 -1.374 1.00 40.19 H new ATOM 838 N ILE B 264 6.952 -12.313 -0.259 1.00 45.91 N ATOM 839 CA ILE B 264 7.750 -13.398 -0.747 1.00 47.77 C ATOM 840 C ILE B 264 6.904 -14.446 -1.518 1.00 49.30 C ATOM 841 O ILE B 264 7.363 -15.021 -2.490 1.00 51.11 O ATOM 842 CB ILE B 264 8.663 -13.939 0.378 1.00 48.27 C ATOM 843 CG1 ILE B 264 7.904 -14.625 1.509 1.00 46.39 C ATOM 844 CG2 ILE B 264 9.398 -12.759 1.079 1.00 49.79 C ATOM 845 CD1 ILE B 264 8.658 -14.483 2.843 1.00 40.38 C ATOM 0 H ILE B 264 6.578 -12.437 0.505 1.00 45.91 H new ATOM 0 HA ILE B 264 8.361 -13.078 -1.429 1.00 47.77 H new ATOM 0 HB ILE B 264 9.252 -14.568 -0.066 1.00 48.27 H new ATOM 0 HG12 ILE B 264 7.019 -14.237 1.591 1.00 46.39 H new ATOM 0 HG13 ILE B 264 7.784 -15.564 1.300 1.00 46.39 H new ATOM 0 HG21 ILE B 264 9.968 -13.105 1.783 1.00 49.79 H new ATOM 0 HG22 ILE B 264 9.939 -12.283 0.430 1.00 49.79 H new ATOM 0 HG23 ILE B 264 8.745 -12.152 1.462 1.00 49.79 H new ATOM 0 HD11 ILE B 264 8.158 -14.926 3.546 1.00 40.38 H new ATOM 0 HD12 ILE B 264 9.535 -14.891 2.764 1.00 40.38 H new ATOM 0 HD13 ILE B 264 8.757 -13.543 3.060 1.00 40.38 H new ATOM 846 N ALA B 265 5.653 -14.650 -1.146 1.00 50.14 N ATOM 847 CA ALA B 265 4.699 -15.339 -2.015 1.00 51.03 C ATOM 848 C ALA B 265 4.576 -14.735 -3.445 1.00 52.51 C ATOM 849 O ALA B 265 3.905 -15.342 -4.320 1.00 53.10 O ATOM 850 CB ALA B 265 3.321 -15.366 -1.360 1.00 50.17 C ATOM 0 H ALA B 265 5.329 -14.398 -0.390 1.00 50.14 H new ATOM 0 HA ALA B 265 5.051 -16.236 -2.127 1.00 51.03 H new ATOM 0 HB1 ALA B 265 2.695 -15.824 -1.942 1.00 50.17 H new ATOM 0 HB2 ALA B 265 3.375 -15.833 -0.512 1.00 50.17 H new ATOM 0 HB3 ALA B 265 3.016 -14.458 -1.209 1.00 50.17 H new ATOM 851 N ALA B 266 5.191 -13.559 -3.668 1.00 53.06 N ATOM 852 CA ALA B 266 5.060 -12.805 -4.915 1.00 53.61 C ATOM 853 C ALA B 266 5.962 -13.338 -6.045 1.00 54.52 C ATOM 854 O ALA B 266 7.065 -13.839 -5.774 1.00 55.03 O ATOM 855 CB ALA B 266 5.358 -11.330 -4.663 1.00 53.22 C ATOM 0 H ALA B 266 5.700 -13.179 -3.088 1.00 53.06 H new ATOM 0 HA ALA B 266 4.144 -12.916 -5.214 1.00 53.61 H new ATOM 0 HB1 ALA B 266 5.270 -10.835 -5.493 1.00 53.22 H new ATOM 0 HB2 ALA B 266 4.732 -10.980 -4.010 1.00 53.22 H new ATOM 0 HB3 ALA B 266 6.262 -11.235 -4.326 1.00 53.22 H new ATOM 856 N SER B 267 5.494 -13.213 -7.296 1.00 54.84 N ATOM 857 CA SER B 267 6.296 -13.496 -8.498 1.00 55.55 C ATOM 858 C SER B 267 7.116 -12.288 -8.954 1.00 56.03 C ATOM 859 O SER B 267 6.817 -11.184 -8.570 1.00 56.62 O ATOM 860 CB SER B 267 5.388 -13.910 -9.644 1.00 55.53 C ATOM 861 OG SER B 267 4.321 -13.003 -9.792 1.00 55.52 O ATOM 0 H SER B 267 4.692 -12.958 -7.472 1.00 54.84 H new ATOM 0 HA SER B 267 6.907 -14.211 -8.260 1.00 55.55 H new ATOM 0 HB2 SER B 267 5.899 -13.952 -10.468 1.00 55.53 H new ATOM 0 HB3 SER B 267 5.040 -14.801 -9.481 1.00 55.53 H new ATOM 0 HG SER B 267 3.832 -13.247 -10.430 1.00 55.52 H new ATOM 862 N ARG B 268 8.136 -12.490 -9.785 1.00 56.90 N ATOM 863 CA ARG B 268 8.999 -11.391 -10.237 1.00 57.47 C ATOM 864 C ARG B 268 8.128 -10.388 -10.981 1.00 57.22 C ATOM 865 O ARG B 268 8.420 -9.195 -11.034 1.00 57.37 O ATOM 866 CB ARG B 268 10.153 -11.959 -11.075 1.00 58.01 C ATOM 867 CG ARG B 268 10.742 -11.120 -12.226 1.00 61.64 C ATOM 868 CD ARG B 268 11.686 -11.965 -13.167 1.00 70.24 C ATOM 869 NE ARG B 268 11.651 -13.425 -12.865 1.00 74.54 N ATOM 870 CZ ARG B 268 12.709 -14.182 -12.515 1.00 76.68 C ATOM 871 NH1 ARG B 268 13.936 -13.651 -12.420 1.00 77.55 N ATOM 872 NH2 ARG B 268 12.535 -15.476 -12.254 1.00 75.68 N ATOM 0 H ARG B 268 8.349 -13.260 -10.103 1.00 56.90 H new ATOM 0 HA ARG B 268 9.415 -10.923 -9.496 1.00 57.47 H new ATOM 0 HB2 ARG B 268 10.879 -12.167 -10.466 1.00 58.01 H new ATOM 0 HB3 ARG B 268 9.851 -12.799 -11.453 1.00 58.01 H new ATOM 0 HG2 ARG B 268 10.019 -10.744 -12.752 1.00 61.64 H new ATOM 0 HG3 ARG B 268 11.241 -10.375 -11.857 1.00 61.64 H new ATOM 0 HD2 ARG B 268 11.425 -11.824 -14.090 1.00 70.24 H new ATOM 0 HD3 ARG B 268 12.597 -11.643 -13.078 1.00 70.24 H new ATOM 0 HE ARG B 268 10.888 -13.818 -12.919 1.00 74.54 H new ATOM 0 HH11 ARG B 268 14.057 -12.815 -12.584 1.00 77.55 H new ATOM 0 HH12 ARG B 268 14.603 -14.146 -12.196 1.00 77.55 H new ATOM 0 HH21 ARG B 268 11.751 -15.824 -12.309 1.00 75.68 H new ATOM 0 HH22 ARG B 268 13.207 -15.964 -12.030 1.00 75.68 H new ATOM 873 N GLU B 269 7.003 -10.888 -11.484 1.00 56.96 N ATOM 874 CA GLU B 269 6.014 -10.079 -12.164 1.00 56.43 C ATOM 875 C GLU B 269 5.299 -9.134 -11.195 1.00 54.42 C ATOM 876 O GLU B 269 5.360 -7.935 -11.390 1.00 53.86 O ATOM 877 CB GLU B 269 5.043 -10.997 -12.893 1.00 57.63 C ATOM 878 CG GLU B 269 3.705 -10.344 -13.241 1.00 64.12 C ATOM 879 CD GLU B 269 3.637 -9.851 -14.692 1.00 71.99 C ATOM 880 OE1 GLU B 269 2.518 -9.903 -15.300 1.00 73.84 O ATOM 881 OE2 GLU B 269 4.707 -9.403 -15.216 1.00 74.66 O ATOM 0 H GLU B 269 6.795 -11.721 -11.436 1.00 56.96 H new ATOM 0 HA GLU B 269 6.454 -9.511 -12.815 1.00 56.43 H new ATOM 0 HB2 GLU B 269 5.461 -11.310 -13.710 1.00 57.63 H new ATOM 0 HB3 GLU B 269 4.877 -11.778 -12.342 1.00 57.63 H new ATOM 0 HG2 GLU B 269 2.990 -10.982 -13.088 1.00 64.12 H new ATOM 0 HG3 GLU B 269 3.551 -9.596 -12.643 1.00 64.12 H new ATOM 882 N ASP B 270 4.655 -9.679 -10.153 1.00 52.74 N ATOM 883 CA ASP B 270 4.040 -8.895 -9.064 1.00 51.08 C ATOM 884 C ASP B 270 4.977 -7.876 -8.448 1.00 49.59 C ATOM 885 O ASP B 270 4.599 -6.742 -8.190 1.00 49.73 O ATOM 886 CB ASP B 270 3.504 -9.800 -7.970 1.00 51.10 C ATOM 887 CG ASP B 270 2.264 -10.572 -8.412 1.00 55.22 C ATOM 888 OD1 ASP B 270 1.948 -10.537 -9.623 1.00 59.82 O ATOM 889 OD2 ASP B 270 1.523 -11.243 -7.643 1.00 58.57 O ATOM 0 H ASP B 270 4.561 -10.528 -10.056 1.00 52.74 H new ATOM 0 HA ASP B 270 3.311 -8.409 -9.480 1.00 51.08 H new ATOM 0 HB2 ASP B 270 4.195 -10.427 -7.704 1.00 51.10 H new ATOM 0 HB3 ASP B 270 3.289 -9.267 -7.189 1.00 51.10 H new ATOM 890 N LEU B 271 6.212 -8.271 -8.217 1.00 47.83 N ATOM 891 CA LEU B 271 7.186 -7.371 -7.644 1.00 46.14 C ATOM 892 C LEU B 271 7.366 -6.137 -8.510 1.00 45.62 C ATOM 893 O LEU B 271 7.526 -5.049 -7.998 1.00 45.98 O ATOM 894 CB LEU B 271 8.524 -8.090 -7.469 1.00 46.14 C ATOM 895 CG LEU B 271 8.648 -9.163 -6.373 1.00 44.19 C ATOM 896 CD1 LEU B 271 10.075 -9.715 -6.299 1.00 37.79 C ATOM 897 CD2 LEU B 271 8.182 -8.619 -5.014 1.00 40.87 C ATOM 0 H LEU B 271 6.508 -9.061 -8.386 1.00 47.83 H new ATOM 0 HA LEU B 271 6.861 -7.085 -6.776 1.00 46.14 H new ATOM 0 HB2 LEU B 271 8.747 -8.507 -8.316 1.00 46.14 H new ATOM 0 HB3 LEU B 271 9.200 -7.416 -7.299 1.00 46.14 H new ATOM 0 HG LEU B 271 8.064 -9.900 -6.609 1.00 44.19 H new ATOM 0 HD11 LEU B 271 10.126 -10.388 -5.602 1.00 37.79 H new ATOM 0 HD12 LEU B 271 10.313 -10.114 -7.151 1.00 37.79 H new ATOM 0 HD13 LEU B 271 10.691 -8.994 -6.097 1.00 37.79 H new ATOM 0 HD21 LEU B 271 8.269 -9.312 -4.341 1.00 40.87 H new ATOM 0 HD22 LEU B 271 8.728 -7.857 -4.766 1.00 40.87 H new ATOM 0 HD23 LEU B 271 7.254 -8.344 -5.076 1.00 40.87 H new ATOM 898 N ALA B 272 7.310 -6.308 -9.821 1.00 44.98 N ATOM 899 CA ALA B 272 7.661 -5.253 -10.767 1.00 44.05 C ATOM 900 C ALA B 272 6.549 -4.192 -10.893 1.00 43.50 C ATOM 901 O ALA B 272 6.792 -2.979 -11.145 1.00 43.81 O ATOM 902 CB ALA B 272 7.954 -5.879 -12.085 1.00 44.55 C ATOM 0 H ALA B 272 7.066 -7.044 -10.193 1.00 44.98 H new ATOM 0 HA ALA B 272 8.445 -4.786 -10.439 1.00 44.05 H new ATOM 0 HB1 ALA B 272 8.189 -5.190 -12.726 1.00 44.55 H new ATOM 0 HB2 ALA B 272 8.694 -6.499 -11.992 1.00 44.55 H new ATOM 0 HB3 ALA B 272 7.170 -6.357 -12.398 1.00 44.55 H new ATOM 903 N LEU B 273 5.335 -4.674 -10.673 1.00 42.27 N ATOM 904 CA LEU B 273 4.155 -3.859 -10.404 1.00 41.17 C ATOM 905 C LEU B 273 4.233 -2.920 -9.197 1.00 40.34 C ATOM 906 O LEU B 273 3.452 -1.995 -9.115 1.00 41.04 O ATOM 907 CB LEU B 273 2.925 -4.764 -10.239 1.00 41.02 C ATOM 908 CG LEU B 273 2.554 -5.705 -11.409 1.00 39.62 C ATOM 909 CD1 LEU B 273 1.485 -6.727 -10.952 1.00 36.88 C ATOM 910 CD2 LEU B 273 2.120 -4.907 -12.697 1.00 37.11 C ATOM 0 H LEU B 273 5.167 -5.517 -10.676 1.00 42.27 H new ATOM 0 HA LEU B 273 4.091 -3.278 -11.178 1.00 41.17 H new ATOM 0 HB2 LEU B 273 3.062 -5.311 -9.450 1.00 41.02 H new ATOM 0 HB3 LEU B 273 2.160 -4.196 -10.061 1.00 41.02 H new ATOM 0 HG LEU B 273 3.347 -6.201 -11.665 1.00 39.62 H new ATOM 0 HD11 LEU B 273 1.259 -7.312 -11.692 1.00 36.88 H new ATOM 0 HD12 LEU B 273 1.835 -7.255 -10.218 1.00 36.88 H new ATOM 0 HD13 LEU B 273 0.690 -6.255 -10.659 1.00 36.88 H new ATOM 0 HD21 LEU B 273 1.896 -5.531 -13.405 1.00 37.11 H new ATOM 0 HD22 LEU B 273 1.346 -4.359 -12.493 1.00 37.11 H new ATOM 0 HD23 LEU B 273 2.850 -4.338 -12.987 1.00 37.11 H new ATOM 911 N CYS B 274 5.131 -3.139 -8.248 1.00 39.34 N ATOM 912 CA CYS B 274 5.259 -2.142 -7.211 1.00 38.22 C ATOM 913 C CYS B 274 5.771 -0.924 -7.945 1.00 39.71 C ATOM 914 O CYS B 274 6.789 -0.997 -8.592 1.00 40.30 O ATOM 915 CB CYS B 274 6.203 -2.570 -6.107 1.00 37.27 C ATOM 916 SG CYS B 274 6.476 -1.265 -4.913 1.00 26.88 S ATOM 0 H CYS B 274 5.650 -3.822 -8.188 1.00 39.34 H new ATOM 0 HA CYS B 274 4.418 -1.981 -6.754 1.00 38.22 H new ATOM 0 HB2 CYS B 274 5.840 -3.349 -5.656 1.00 37.27 H new ATOM 0 HB3 CYS B 274 7.052 -2.836 -6.494 1.00 37.27 H new ATOM 0 HG CYS B 274 6.306 -1.694 -3.805 1.00 26.88 H new ATOM 917 N PRO B 275 5.032 0.170 -7.870 1.00 40.75 N ATOM 918 CA PRO B 275 5.318 1.410 -8.620 1.00 41.83 C ATOM 919 C PRO B 275 6.675 1.941 -8.260 1.00 42.61 C ATOM 920 O PRO B 275 6.907 2.049 -7.067 1.00 44.15 O ATOM 921 CB PRO B 275 4.287 2.401 -8.075 1.00 42.02 C ATOM 922 CG PRO B 275 3.232 1.596 -7.386 1.00 41.46 C ATOM 923 CD PRO B 275 3.860 0.289 -6.993 1.00 41.24 C ATOM 0 HA PRO B 275 5.286 1.269 -9.579 1.00 41.83 H new ATOM 0 HB2 PRO B 275 4.702 3.024 -7.458 1.00 42.02 H new ATOM 0 HB3 PRO B 275 3.903 2.927 -8.794 1.00 42.02 H new ATOM 0 HG2 PRO B 275 2.899 2.065 -6.605 1.00 41.46 H new ATOM 0 HG3 PRO B 275 2.474 1.449 -7.974 1.00 41.46 H new ATOM 0 HD2 PRO B 275 4.116 0.287 -6.058 1.00 41.24 H new ATOM 0 HD3 PRO B 275 3.246 -0.451 -7.121 1.00 41.24 H new ATOM 924 N GLY B 276 7.532 2.296 -9.217 1.00 43.46 N ATOM 925 CA GLY B 276 8.978 2.424 -8.945 1.00 44.60 C ATOM 926 C GLY B 276 9.626 1.033 -8.890 1.00 45.61 C ATOM 927 O GLY B 276 8.933 -0.014 -8.847 1.00 45.71 O ATOM 0 H GLY B 276 7.305 2.468 -10.028 1.00 43.46 H new ATOM 0 HA2 GLY B 276 9.399 2.958 -9.637 1.00 44.60 H new ATOM 0 HA3 GLY B 276 9.117 2.888 -8.104 1.00 44.60 H new ATOM 928 N LEU B 277 10.945 0.953 -8.908 1.00 46.61 N ATOM 929 CA LEU B 277 11.542 -0.390 -8.819 1.00 48.12 C ATOM 930 C LEU B 277 11.767 -0.930 -10.187 1.00 49.54 C ATOM 931 O LEU B 277 10.794 -1.146 -10.938 1.00 49.10 O ATOM 932 CB LEU B 277 10.580 -1.394 -8.131 1.00 47.49 C ATOM 933 CG LEU B 277 11.186 -2.499 -7.261 1.00 46.75 C ATOM 934 CD1 LEU B 277 11.502 -1.963 -5.848 1.00 45.94 C ATOM 935 CD2 LEU B 277 10.296 -3.709 -7.195 1.00 43.92 C ATOM 0 H LEU B 277 11.493 1.613 -8.967 1.00 46.61 H new ATOM 0 HA LEU B 277 12.365 -0.298 -8.314 1.00 48.12 H new ATOM 0 HB2 LEU B 277 9.967 -0.885 -7.578 1.00 47.49 H new ATOM 0 HB3 LEU B 277 10.051 -1.819 -8.824 1.00 47.49 H new ATOM 0 HG LEU B 277 12.017 -2.779 -7.676 1.00 46.75 H new ATOM 0 HD11 LEU B 277 11.885 -2.674 -5.310 1.00 45.94 H new ATOM 0 HD12 LEU B 277 12.135 -1.231 -5.913 1.00 45.94 H new ATOM 0 HD13 LEU B 277 10.685 -1.647 -5.431 1.00 45.94 H new ATOM 0 HD21 LEU B 277 10.711 -4.386 -6.637 1.00 43.92 H new ATOM 0 HD22 LEU B 277 9.438 -3.460 -6.817 1.00 43.92 H new ATOM 0 HD23 LEU B 277 10.164 -4.063 -8.088 1.00 43.92 H new ATOM 936 N GLY B 278 13.034 -1.214 -10.501 1.00 51.74 N ATOM 937 CA GLY B 278 13.374 -1.782 -11.807 1.00 52.60 C ATOM 938 C GLY B 278 12.419 -2.923 -12.184 1.00 52.53 C ATOM 939 O GLY B 278 11.487 -3.256 -11.453 1.00 52.12 O ATOM 0 H GLY B 278 13.704 -1.087 -9.977 1.00 51.74 H new ATOM 0 HA2 GLY B 278 13.336 -1.088 -12.484 1.00 52.60 H new ATOM 0 HA3 GLY B 278 14.286 -2.112 -11.791 1.00 52.60 H new ATOM 940 N PRO B 279 12.640 -3.521 -13.345 1.00 52.78 N ATOM 941 CA PRO B 279 12.533 -4.994 -13.407 1.00 52.66 C ATOM 942 C PRO B 279 13.942 -5.601 -12.988 1.00 52.43 C ATOM 943 O PRO B 279 14.085 -6.768 -12.592 1.00 51.62 O ATOM 944 CB PRO B 279 12.087 -5.257 -14.848 1.00 52.08 C ATOM 945 CG PRO B 279 12.388 -3.918 -15.588 1.00 52.80 C ATOM 946 CD PRO B 279 12.965 -2.896 -14.646 1.00 51.92 C ATOM 0 HA PRO B 279 11.900 -5.414 -12.804 1.00 52.66 H new ATOM 0 HB2 PRO B 279 12.575 -5.997 -15.241 1.00 52.08 H new ATOM 0 HB3 PRO B 279 11.145 -5.483 -14.892 1.00 52.08 H new ATOM 0 HG2 PRO B 279 13.010 -4.079 -16.315 1.00 52.80 H new ATOM 0 HG3 PRO B 279 11.572 -3.573 -15.984 1.00 52.80 H new ATOM 0 HD2 PRO B 279 13.920 -2.776 -14.770 1.00 51.92 H new ATOM 0 HD3 PRO B 279 12.554 -2.024 -14.750 1.00 51.92 H new ATOM 947 N GLN B 280 14.960 -4.741 -13.032 1.00 52.62 N ATOM 948 CA GLN B 280 16.278 -5.054 -12.522 1.00 53.70 C ATOM 949 C GLN B 280 16.165 -5.359 -11.010 1.00 53.01 C ATOM 950 O GLN B 280 16.360 -6.521 -10.621 1.00 53.24 O ATOM 951 CB GLN B 280 17.271 -3.915 -12.858 1.00 54.36 C ATOM 952 CG GLN B 280 18.774 -4.225 -12.560 1.00 59.69 C ATOM 953 CD GLN B 280 19.743 -3.015 -12.835 1.00 66.05 C ATOM 954 OE1 GLN B 280 20.314 -2.431 -11.753 1.00 68.49 O flip ATOM 955 NE2 GLN B 280 19.969 -2.631 -14.011 1.00 65.27 N flip ATOM 0 H GLN B 280 14.896 -3.951 -13.365 1.00 52.62 H new ATOM 0 HA GLN B 280 16.637 -5.847 -12.951 1.00 53.70 H new ATOM 0 HB2 GLN B 280 17.182 -3.696 -13.799 1.00 54.36 H new ATOM 0 HB3 GLN B 280 17.014 -3.125 -12.358 1.00 54.36 H new ATOM 0 HG2 GLN B 280 18.862 -4.493 -11.632 1.00 59.69 H new ATOM 0 HG3 GLN B 280 19.053 -4.980 -13.101 1.00 59.69 H new ATOM 0 HE21 GLN B 280 19.588 -3.026 -14.673 1.00 65.27 H new ATOM 0 HE22 GLN B 280 20.504 -1.973 -14.153 1.00 65.27 H new ATOM 956 N LYS B 281 15.792 -4.357 -10.185 1.00 51.97 N ATOM 957 CA LYS B 281 15.562 -4.536 -8.739 1.00 50.19 C ATOM 958 C LYS B 281 14.572 -5.635 -8.458 1.00 49.93 C ATOM 959 O LYS B 281 14.758 -6.412 -7.540 1.00 50.04 O ATOM 960 CB LYS B 281 15.047 -3.269 -8.111 1.00 50.34 C ATOM 961 CG LYS B 281 16.108 -2.294 -7.635 1.00 51.21 C ATOM 962 CD LYS B 281 15.597 -0.860 -7.743 1.00 52.42 C ATOM 963 CE LYS B 281 16.694 0.171 -7.554 1.00 53.63 C ATOM 964 NZ LYS B 281 16.843 0.609 -6.151 1.00 54.14 N ATOM 0 H LYS B 281 15.666 -3.550 -10.455 1.00 51.97 H new ATOM 0 HA LYS B 281 16.421 -4.773 -8.356 1.00 50.19 H new ATOM 0 HB2 LYS B 281 14.480 -2.816 -8.754 1.00 50.34 H new ATOM 0 HB3 LYS B 281 14.486 -3.506 -7.356 1.00 50.34 H new ATOM 0 HG2 LYS B 281 16.347 -2.490 -6.716 1.00 51.21 H new ATOM 0 HG3 LYS B 281 16.913 -2.398 -8.166 1.00 51.21 H new ATOM 0 HD2 LYS B 281 15.185 -0.732 -8.612 1.00 52.42 H new ATOM 0 HD3 LYS B 281 14.906 -0.716 -7.078 1.00 52.42 H new ATOM 0 HE2 LYS B 281 17.536 -0.200 -7.862 1.00 53.63 H new ATOM 0 HE3 LYS B 281 16.504 0.943 -8.110 1.00 53.63 H new ATOM 0 HZ1 LYS B 281 17.149 1.444 -6.132 1.00 54.14 H new ATOM 0 HZ2 LYS B 281 16.053 0.573 -5.743 1.00 54.14 H new ATOM 0 HZ3 LYS B 281 17.417 0.073 -5.732 1.00 54.14 H new ATOM 965 N ALA B 282 13.517 -5.727 -9.255 1.00 49.83 N ATOM 966 CA ALA B 282 12.595 -6.855 -9.141 1.00 50.04 C ATOM 967 C ALA B 282 13.241 -8.243 -9.299 1.00 50.72 C ATOM 968 O ALA B 282 12.856 -9.159 -8.586 1.00 50.91 O ATOM 969 CB ALA B 282 11.423 -6.694 -10.089 1.00 49.77 C ATOM 0 H ALA B 282 13.315 -5.154 -9.864 1.00 49.83 H new ATOM 0 HA ALA B 282 12.279 -6.828 -8.224 1.00 50.04 H new ATOM 0 HB1 ALA B 282 10.825 -7.452 -9.997 1.00 49.77 H new ATOM 0 HB2 ALA B 282 10.944 -5.878 -9.876 1.00 49.77 H new ATOM 0 HB3 ALA B 282 11.749 -6.649 -11.002 1.00 49.77 H new ATOM 970 N ARG B 283 14.200 -8.417 -10.219 1.00 51.57 N ATOM 971 CA ARG B 283 14.908 -9.707 -10.345 1.00 52.51 C ATOM 972 C ARG B 283 15.743 -9.982 -9.089 1.00 51.21 C ATOM 973 O ARG B 283 15.558 -11.010 -8.427 1.00 50.50 O ATOM 974 CB ARG B 283 15.825 -9.726 -11.578 1.00 53.99 C ATOM 975 CG ARG B 283 15.929 -11.063 -12.386 1.00 60.09 C ATOM 976 CD ARG B 283 16.258 -10.868 -13.935 1.00 69.99 C ATOM 977 NE ARG B 283 17.195 -9.738 -14.168 1.00 76.46 N ATOM 978 CZ ARG B 283 16.952 -8.654 -14.942 1.00 79.42 C ATOM 979 NH1 ARG B 283 15.794 -8.537 -15.607 1.00 80.20 N ATOM 980 NH2 ARG B 283 17.875 -7.684 -15.052 1.00 78.77 N ATOM 0 H ARG B 283 14.455 -7.811 -10.774 1.00 51.57 H new ATOM 0 HA ARG B 283 14.236 -10.399 -10.449 1.00 52.51 H new ATOM 0 HB2 ARG B 283 15.523 -9.033 -12.185 1.00 53.99 H new ATOM 0 HB3 ARG B 283 16.718 -9.481 -11.290 1.00 53.99 H new ATOM 0 HG2 ARG B 283 16.618 -11.617 -11.987 1.00 60.09 H new ATOM 0 HG3 ARG B 283 15.092 -11.546 -12.302 1.00 60.09 H new ATOM 0 HD2 ARG B 283 16.644 -11.685 -14.288 1.00 69.99 H new ATOM 0 HD3 ARG B 283 15.434 -10.710 -14.422 1.00 69.99 H new ATOM 0 HE ARG B 283 17.960 -9.776 -13.776 1.00 76.46 H new ATOM 0 HH11 ARG B 283 15.198 -9.154 -15.544 1.00 80.20 H new ATOM 0 HH12 ARG B 283 15.647 -7.845 -16.097 1.00 80.20 H new ATOM 0 HH21 ARG B 283 18.622 -7.751 -14.630 1.00 78.77 H new ATOM 0 HH22 ARG B 283 17.719 -6.996 -15.544 1.00 78.77 H new ATOM 981 N ARG B 284 16.628 -9.042 -8.748 1.00 49.82 N ATOM 982 CA ARG B 284 17.563 -9.225 -7.649 1.00 49.56 C ATOM 983 C ARG B 284 16.882 -9.700 -6.404 1.00 49.16 C ATOM 984 O ARG B 284 17.373 -10.595 -5.703 1.00 50.20 O ATOM 985 CB ARG B 284 18.270 -7.932 -7.333 1.00 49.71 C ATOM 986 CG ARG B 284 19.000 -7.359 -8.500 1.00 52.51 C ATOM 987 CD ARG B 284 20.072 -6.383 -8.121 1.00 58.56 C ATOM 988 NE ARG B 284 20.248 -5.423 -9.206 1.00 63.55 N ATOM 989 CZ ARG B 284 21.425 -4.984 -9.638 1.00 66.97 C ATOM 990 NH1 ARG B 284 22.580 -5.410 -9.079 1.00 67.04 N ATOM 991 NH2 ARG B 284 21.439 -4.116 -10.645 1.00 66.85 N ATOM 0 H ARG B 284 16.699 -8.285 -9.149 1.00 49.82 H new ATOM 0 HA ARG B 284 18.199 -9.898 -7.938 1.00 49.56 H new ATOM 0 HB2 ARG B 284 17.621 -7.285 -7.016 1.00 49.71 H new ATOM 0 HB3 ARG B 284 18.898 -8.082 -6.609 1.00 49.71 H new ATOM 0 HG2 ARG B 284 19.398 -8.082 -9.009 1.00 52.51 H new ATOM 0 HG3 ARG B 284 18.364 -6.917 -9.084 1.00 52.51 H new ATOM 0 HD2 ARG B 284 19.831 -5.922 -7.302 1.00 58.56 H new ATOM 0 HD3 ARG B 284 20.905 -6.850 -7.949 1.00 58.56 H new ATOM 0 HE ARG B 284 19.541 -5.121 -9.592 1.00 63.55 H new ATOM 0 HH11 ARG B 284 22.561 -5.976 -8.431 1.00 67.04 H new ATOM 0 HH12 ARG B 284 23.333 -5.115 -9.371 1.00 67.04 H new ATOM 0 HH21 ARG B 284 20.699 -3.854 -10.998 1.00 66.85 H new ATOM 0 HH22 ARG B 284 22.188 -3.816 -10.944 1.00 66.85 H new ATOM 992 N LEU B 285 15.738 -9.097 -6.134 1.00 48.02 N ATOM 993 CA LEU B 285 14.995 -9.422 -4.955 1.00 46.66 C ATOM 994 C LEU B 285 14.275 -10.745 -5.102 1.00 46.53 C ATOM 995 O LEU B 285 14.263 -11.527 -4.167 1.00 45.95 O ATOM 996 CB LEU B 285 14.026 -8.284 -4.608 1.00 46.34 C ATOM 997 CG LEU B 285 13.167 -8.535 -3.371 1.00 43.28 C ATOM 998 CD1 LEU B 285 13.925 -8.313 -2.107 1.00 44.02 C ATOM 999 CD2 LEU B 285 12.007 -7.691 -3.411 1.00 40.42 C ATOM 0 H LEU B 285 15.379 -8.493 -6.630 1.00 48.02 H new ATOM 0 HA LEU B 285 15.618 -9.522 -4.219 1.00 46.66 H new ATOM 0 HB2 LEU B 285 14.537 -7.470 -4.473 1.00 46.34 H new ATOM 0 HB3 LEU B 285 13.442 -8.130 -5.367 1.00 46.34 H new ATOM 0 HG LEU B 285 12.895 -9.466 -3.381 1.00 43.28 H new ATOM 0 HD11 LEU B 285 13.345 -8.482 -1.348 1.00 44.02 H new ATOM 0 HD12 LEU B 285 14.684 -8.916 -2.075 1.00 44.02 H new ATOM 0 HD13 LEU B 285 14.239 -7.396 -2.075 1.00 44.02 H new ATOM 0 HD21 LEU B 285 11.462 -7.852 -2.625 1.00 40.42 H new ATOM 0 HD22 LEU B 285 12.283 -6.761 -3.428 1.00 40.42 H new ATOM 0 HD23 LEU B 285 11.490 -7.889 -4.208 1.00 40.42 H new ATOM 1000 N PHE B 286 13.654 -11.006 -6.248 1.00 47.13 N ATOM 1001 CA PHE B 286 13.005 -12.312 -6.415 1.00 48.38 C ATOM 1002 C PHE B 286 13.994 -13.476 -6.153 1.00 49.57 C ATOM 1003 O PHE B 286 13.660 -14.486 -5.482 1.00 49.32 O ATOM 1004 CB PHE B 286 12.376 -12.490 -7.789 1.00 48.17 C ATOM 1005 CG PHE B 286 11.603 -13.762 -7.912 1.00 48.23 C ATOM 1006 CD1 PHE B 286 12.227 -14.935 -8.355 1.00 51.87 C ATOM 1007 CD2 PHE B 286 10.273 -13.810 -7.546 1.00 47.54 C ATOM 1008 CE1 PHE B 286 11.512 -16.156 -8.441 1.00 52.53 C ATOM 1009 CE2 PHE B 286 9.540 -15.002 -7.618 1.00 50.65 C ATOM 1010 CZ PHE B 286 10.160 -16.188 -8.069 1.00 52.85 C ATOM 0 H PHE B 286 13.595 -10.469 -6.917 1.00 47.13 H new ATOM 0 HA PHE B 286 12.295 -12.335 -5.755 1.00 48.38 H new ATOM 0 HB2 PHE B 286 11.788 -11.740 -7.970 1.00 48.17 H new ATOM 0 HB3 PHE B 286 13.073 -12.473 -8.464 1.00 48.17 H new ATOM 0 HD1 PHE B 286 13.125 -14.912 -8.597 1.00 51.87 H new ATOM 0 HD2 PHE B 286 9.855 -13.036 -7.246 1.00 47.54 H new ATOM 0 HE1 PHE B 286 11.935 -16.928 -8.741 1.00 52.53 H new ATOM 0 HE2 PHE B 286 8.644 -15.012 -7.368 1.00 50.65 H new ATOM 0 HZ PHE B 286 9.677 -16.981 -8.119 1.00 52.85 H new ATOM 1011 N ASP B 287 15.211 -13.310 -6.687 1.00 50.48 N ATOM 1012 CA ASP B 287 16.322 -14.229 -6.455 1.00 50.73 C ATOM 1013 C ASP B 287 16.600 -14.372 -4.962 1.00 51.22 C ATOM 1014 O ASP B 287 16.357 -15.455 -4.402 1.00 52.33 O ATOM 1015 CB ASP B 287 17.564 -13.766 -7.214 1.00 50.45 C ATOM 1016 CG ASP B 287 17.357 -13.787 -8.724 1.00 50.32 C ATOM 1017 OD1 ASP B 287 16.373 -14.411 -9.179 1.00 48.19 O ATOM 1018 OD2 ASP B 287 18.109 -13.196 -9.538 1.00 49.97 O ATOM 0 H ASP B 287 15.412 -12.650 -7.200 1.00 50.48 H new ATOM 0 HA ASP B 287 16.077 -15.105 -6.792 1.00 50.73 H new ATOM 0 HB2 ASP B 287 17.796 -12.867 -6.933 1.00 50.45 H new ATOM 0 HB3 ASP B 287 18.313 -14.337 -6.984 1.00 50.45 H new ATOM 1019 N VAL B 288 17.055 -13.303 -4.300 1.00 50.63 N ATOM 1020 CA VAL B 288 17.473 -13.438 -2.901 1.00 49.89 C ATOM 1021 C VAL B 288 16.422 -14.228 -2.123 1.00 51.01 C ATOM 1022 O VAL B 288 16.740 -15.051 -1.269 1.00 51.54 O ATOM 1023 CB VAL B 288 17.763 -12.081 -2.255 1.00 48.91 C ATOM 1024 CG1 VAL B 288 18.032 -12.227 -0.791 1.00 47.38 C ATOM 1025 CG2 VAL B 288 18.914 -11.386 -2.945 1.00 47.40 C ATOM 0 H VAL B 288 17.128 -12.513 -4.631 1.00 50.63 H new ATOM 0 HA VAL B 288 18.309 -13.930 -2.877 1.00 49.89 H new ATOM 0 HB VAL B 288 16.972 -11.530 -2.360 1.00 48.91 H new ATOM 0 HG11 VAL B 288 18.212 -11.355 -0.406 1.00 47.38 H new ATOM 0 HG12 VAL B 288 17.257 -12.617 -0.357 1.00 47.38 H new ATOM 0 HG13 VAL B 288 18.801 -12.803 -0.659 1.00 47.38 H new ATOM 0 HG21 VAL B 288 19.078 -10.530 -2.519 1.00 47.40 H new ATOM 0 HG22 VAL B 288 19.710 -11.937 -2.881 1.00 47.40 H new ATOM 0 HG23 VAL B 288 18.694 -11.244 -3.879 1.00 47.40 H new ATOM 1026 N LEU B 289 15.164 -14.023 -2.479 1.00 52.39 N ATOM 1027 CA LEU B 289 14.043 -14.650 -1.785 1.00 53.85 C ATOM 1028 C LEU B 289 13.788 -16.096 -2.173 1.00 54.68 C ATOM 1029 O LEU B 289 13.097 -16.808 -1.461 1.00 54.08 O ATOM 1030 CB LEU B 289 12.763 -13.867 -2.091 1.00 53.97 C ATOM 1031 CG LEU B 289 12.485 -12.506 -1.470 1.00 54.05 C ATOM 1032 CD1 LEU B 289 11.107 -12.025 -1.899 1.00 53.26 C ATOM 1033 CD2 LEU B 289 12.564 -12.624 0.030 1.00 54.00 C ATOM 0 H LEU B 289 14.932 -13.515 -3.132 1.00 52.39 H new ATOM 0 HA LEU B 289 14.281 -14.639 -0.845 1.00 53.85 H new ATOM 0 HB2 LEU B 289 12.731 -13.748 -3.053 1.00 53.97 H new ATOM 0 HB3 LEU B 289 12.019 -14.442 -1.851 1.00 53.97 H new ATOM 0 HG LEU B 289 13.144 -11.861 -1.770 1.00 54.05 H new ATOM 0 HD11 LEU B 289 10.929 -11.157 -1.503 1.00 53.26 H new ATOM 0 HD12 LEU B 289 11.076 -11.952 -2.866 1.00 53.26 H new ATOM 0 HD13 LEU B 289 10.436 -12.659 -1.602 1.00 53.26 H new ATOM 0 HD21 LEU B 289 12.388 -11.759 0.433 1.00 54.00 H new ATOM 0 HD22 LEU B 289 11.905 -13.265 0.340 1.00 54.00 H new ATOM 0 HD23 LEU B 289 13.450 -12.924 0.285 1.00 54.00 H new ATOM 1034 N HIS B 290 14.284 -16.497 -3.338 1.00 56.57 N ATOM 1035 CA HIS B 290 13.922 -17.786 -3.921 1.00 58.36 C ATOM 1036 C HIS B 290 15.124 -18.685 -4.101 1.00 59.54 C ATOM 1037 O HIS B 290 15.030 -19.897 -3.894 1.00 59.70 O ATOM 1038 CB HIS B 290 13.102 -17.605 -5.195 1.00 57.92 C ATOM 1039 CG HIS B 290 11.722 -17.107 -4.916 1.00 60.18 C ATOM 1040 ND1 HIS B 290 11.207 -15.853 -4.920 1.00 62.63 N flip ATOM 1041 CD2 HIS B 290 10.704 -17.936 -4.481 1.00 61.14 C flip ATOM 1042 CE1 HIS B 290 9.890 -15.950 -4.525 1.00 62.18 C flip ATOM 1043 NE2 HIS B 290 9.611 -17.218 -4.264 1.00 62.29 N flip ATOM 0 H HIS B 290 14.835 -16.035 -3.810 1.00 56.57 H new ATOM 0 HA HIS B 290 13.348 -18.248 -3.291 1.00 58.36 H new ATOM 0 HB2 HIS B 290 13.556 -16.981 -5.783 1.00 57.92 H new ATOM 0 HB3 HIS B 290 13.049 -18.451 -5.666 1.00 57.92 H new ATOM 0 HD1 HIS B 290 11.624 -15.131 -5.130 1.00 62.63 H new ATOM 0 HD2 HIS B 290 10.775 -18.855 -4.359 1.00 61.14 H new ATOM 0 HE1 HIS B 290 9.294 -15.240 -4.453 1.00 62.18 H new ATOM 1044 N GLU B 291 16.260 -18.088 -4.441 1.00 60.90 N ATOM 1045 CA GLU B 291 17.510 -18.811 -4.408 1.00 62.90 C ATOM 1046 C GLU B 291 17.655 -19.574 -3.069 1.00 63.75 C ATOM 1047 O GLU B 291 17.320 -19.048 -2.013 1.00 63.86 O ATOM 1048 CB GLU B 291 18.684 -17.864 -4.661 1.00 62.94 C ATOM 1049 CG GLU B 291 19.299 -17.240 -3.424 1.00 65.65 C ATOM 1050 CD GLU B 291 20.605 -16.552 -3.739 1.00 70.29 C ATOM 1051 OE1 GLU B 291 20.955 -15.520 -3.113 1.00 72.77 O ATOM 1052 OE2 GLU B 291 21.282 -17.044 -4.651 1.00 72.95 O ATOM 0 H GLU B 291 16.323 -17.268 -4.692 1.00 60.90 H new ATOM 0 HA GLU B 291 17.514 -19.470 -5.120 1.00 62.90 H new ATOM 0 HB2 GLU B 291 19.375 -18.351 -5.136 1.00 62.94 H new ATOM 0 HB3 GLU B 291 18.384 -17.152 -5.248 1.00 62.94 H new ATOM 0 HG2 GLU B 291 18.679 -16.599 -3.042 1.00 65.65 H new ATOM 0 HG3 GLU B 291 19.447 -17.926 -2.754 1.00 65.65 H new ATOM 1053 N PRO B 292 18.130 -20.825 -3.120 1.00 65.19 N ATOM 1054 CA PRO B 292 18.229 -21.673 -1.907 1.00 65.51 C ATOM 1055 C PRO B 292 19.381 -21.289 -0.946 1.00 65.22 C ATOM 1056 O PRO B 292 20.400 -20.746 -1.374 1.00 64.36 O ATOM 1057 CB PRO B 292 18.442 -23.080 -2.488 1.00 65.42 C ATOM 1058 CG PRO B 292 19.183 -22.819 -3.805 1.00 65.09 C ATOM 1059 CD PRO B 292 18.614 -21.537 -4.332 1.00 65.14 C ATOM 0 HA PRO B 292 17.440 -21.580 -1.351 1.00 65.51 H new ATOM 0 HB2 PRO B 292 18.964 -23.638 -1.890 1.00 65.42 H new ATOM 0 HB3 PRO B 292 17.599 -23.536 -2.637 1.00 65.42 H new ATOM 0 HG2 PRO B 292 20.139 -22.744 -3.660 1.00 65.09 H new ATOM 0 HG3 PRO B 292 19.048 -23.546 -4.433 1.00 65.09 H new ATOM 0 HD2 PRO B 292 19.285 -21.019 -4.803 1.00 65.14 H new ATOM 0 HD3 PRO B 292 17.892 -21.701 -4.958 1.00 65.14 H new ATOM 1060 N PHE B 293 19.205 -21.560 0.343 1.00 65.35 N ATOM 1061 CA PHE B 293 20.253 -21.246 1.303 1.00 65.88 C ATOM 1062 C PHE B 293 21.549 -22.024 1.039 1.00 67.54 C ATOM 1063 O PHE B 293 22.660 -21.484 1.236 1.00 67.83 O ATOM 1064 CB PHE B 293 19.791 -21.585 2.693 1.00 64.72 C ATOM 1065 CG PHE B 293 18.664 -20.799 3.131 1.00 62.33 C ATOM 1066 CD1 PHE B 293 17.500 -21.427 3.524 1.00 60.74 C ATOM 1067 CD2 PHE B 293 18.754 -19.405 3.168 1.00 61.69 C ATOM 1068 CE1 PHE B 293 16.426 -20.689 3.959 1.00 59.83 C ATOM 1069 CE2 PHE B 293 17.697 -18.643 3.598 1.00 59.75 C ATOM 1070 CZ PHE B 293 16.523 -19.287 4.000 1.00 60.49 C ATOM 0 H PHE B 293 18.499 -21.919 0.677 1.00 65.35 H new ATOM 0 HA PHE B 293 20.436 -20.298 1.210 1.00 65.88 H new ATOM 0 HB2 PHE B 293 19.554 -22.525 2.727 1.00 64.72 H new ATOM 0 HB3 PHE B 293 20.527 -21.455 3.312 1.00 64.72 H new ATOM 0 HD1 PHE B 293 17.442 -22.355 3.494 1.00 60.74 H new ATOM 0 HD2 PHE B 293 19.540 -18.988 2.898 1.00 61.69 H new ATOM 0 HE1 PHE B 293 15.642 -21.113 4.224 1.00 59.83 H new ATOM 0 HE2 PHE B 293 17.760 -17.715 3.622 1.00 59.75 H new ATOM 0 HZ PHE B 293 15.800 -18.784 4.297 1.00 60.49 H new ATOM 1071 N LEU B 294 21.389 -23.289 0.615 1.00 68.72 N ATOM 1072 CA LEU B 294 22.497 -24.213 0.404 1.00 69.74 C ATOM 1073 C LEU B 294 22.995 -24.217 -1.050 1.00 70.94 C ATOM 1074 O LEU B 294 22.226 -24.465 -1.984 1.00 70.19 O ATOM 1075 CB LEU B 294 22.056 -25.622 0.834 1.00 69.42 C ATOM 1076 CG LEU B 294 22.137 -26.224 2.259 1.00 68.37 C ATOM 1077 CD1 LEU B 294 22.475 -25.229 3.352 1.00 68.72 C ATOM 1078 CD2 LEU B 294 20.861 -26.989 2.636 1.00 67.30 C ATOM 0 H LEU B 294 20.619 -23.631 0.442 1.00 68.72 H new ATOM 0 HA LEU B 294 23.246 -23.917 0.945 1.00 69.74 H new ATOM 0 HB2 LEU B 294 21.123 -25.691 0.577 1.00 69.42 H new ATOM 0 HB3 LEU B 294 22.552 -26.233 0.267 1.00 69.42 H new ATOM 0 HG LEU B 294 22.883 -26.841 2.206 1.00 68.37 H new ATOM 0 HD11 LEU B 294 22.506 -25.686 4.207 1.00 68.72 H new ATOM 0 HD12 LEU B 294 23.339 -24.828 3.169 1.00 68.72 H new ATOM 0 HD13 LEU B 294 21.797 -24.536 3.380 1.00 68.72 H new ATOM 0 HD21 LEU B 294 20.952 -27.349 3.532 1.00 67.30 H new ATOM 0 HD22 LEU B 294 20.101 -26.387 2.606 1.00 67.30 H new ATOM 0 HD23 LEU B 294 20.722 -27.716 2.009 1.00 67.30 H new ATOM 1079 N LYS B 295 24.281 -23.928 -1.238 1.00 73.35 N ATOM 1080 CA LYS B 295 24.953 -24.285 -2.509 1.00 76.11 C ATOM 1081 C LYS B 295 26.405 -24.889 -2.351 1.00 77.42 C ATOM 1082 O LYS B 295 27.051 -24.680 -1.295 1.00 77.94 O ATOM 1083 CB LYS B 295 24.883 -23.120 -3.541 1.00 76.23 C ATOM 1084 CG LYS B 295 24.541 -23.582 -5.008 1.00 75.93 C ATOM 1085 CD LYS B 295 25.781 -23.582 -5.929 1.00 74.44 C ATOM 1086 CE LYS B 295 25.402 -23.234 -7.345 1.00 73.60 C ATOM 1087 NZ LYS B 295 24.084 -23.845 -7.634 1.00 72.29 N ATOM 0 H LYS B 295 24.782 -23.534 -0.661 1.00 73.35 H new ATOM 0 HA LYS B 295 24.440 -25.025 -2.870 1.00 76.11 H new ATOM 0 HB2 LYS B 295 24.214 -22.481 -3.249 1.00 76.23 H new ATOM 0 HB3 LYS B 295 25.734 -22.655 -3.548 1.00 76.23 H new ATOM 0 HG2 LYS B 295 24.160 -24.474 -4.983 1.00 75.93 H new ATOM 0 HG3 LYS B 295 23.865 -22.995 -5.380 1.00 75.93 H new ATOM 0 HD2 LYS B 295 26.433 -22.944 -5.599 1.00 74.44 H new ATOM 0 HD3 LYS B 295 26.203 -24.455 -5.909 1.00 74.44 H new ATOM 0 HE2 LYS B 295 25.361 -22.271 -7.457 1.00 73.60 H new ATOM 0 HE3 LYS B 295 26.071 -23.564 -7.965 1.00 73.60 H new ATOM 0 HZ1 LYS B 295 24.025 -24.027 -8.503 1.00 72.29 H new ATOM 0 HZ2 LYS B 295 23.997 -24.598 -7.167 1.00 72.29 H new ATOM 0 HZ3 LYS B 295 23.437 -23.278 -7.405 1.00 72.29 H new ATOM 1088 N VAL B 296 26.863 -25.673 -3.356 1.00 78.36 N ATOM 1089 CA VAL B 296 28.320 -25.884 -3.687 1.00 79.17 C ATOM 1090 C VAL B 296 28.517 -26.810 -4.891 1.00 79.36 C ATOM 1091 O VAL B 296 29.073 -26.399 -5.911 1.00 79.53 O ATOM 1092 CB VAL B 296 29.302 -26.280 -2.468 1.00 79.38 C ATOM 1093 CG1 VAL B 296 29.700 -27.757 -2.489 1.00 79.14 C ATOM 1094 CG2 VAL B 296 30.575 -25.401 -2.464 1.00 79.37 C ATOM 0 H VAL B 296 26.335 -26.107 -3.877 1.00 78.36 H new ATOM 0 HA VAL B 296 28.608 -24.989 -3.924 1.00 79.17 H new ATOM 0 HB VAL B 296 28.798 -26.119 -1.655 1.00 79.38 H new ATOM 0 HG11 VAL B 296 30.288 -27.945 -1.740 1.00 79.14 H new ATOM 0 HG12 VAL B 296 28.904 -28.308 -2.421 1.00 79.14 H new ATOM 0 HG13 VAL B 296 30.161 -27.956 -3.319 1.00 79.14 H new ATOM 0 HG21 VAL B 296 31.145 -25.660 -1.723 1.00 79.37 H new ATOM 0 HG22 VAL B 296 31.055 -25.522 -3.298 1.00 79.37 H new ATOM 0 HG23 VAL B 296 30.325 -24.469 -2.368 1.00 79.37 H new TER 1095 VAL B 296 HETATM 1096 HG HG B 1 8.313 -0.087 -5.090 0.70 53.11 HG CONECT 916 1096 CONECT 920 1096 CONECT 1096 916 920 END