Browse entries in the PDBbind-CN Database
HEADER APOPTOSIS 01-MAY-09 2WH6 TITLE CRYSTAL STRUCTURE OF ANTI-APOPTOTIC BHRF1 IN COMPLEX WITH THE BIM BH3 TITLE 2 DOMAIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: EARLY ANTIGEN PROTEIN R; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: BCL-2, RESIDUES 1-160; COMPND 5 SYNONYM: NUCLEAR ANTIGEN, EA-R, BHRF1; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: BCL-2-LIKE PROTEIN 11; COMPND 9 CHAIN: B; COMPND 10 FRAGMENT: BH3, RESIDUES 51-72; COMPND 11 SYNONYM: BCL2-L-11, BCL2-INTERACTING MEDIATOR OF CELL DEATH, BIM; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: EPSTEIN-BARR VIRUS STRAIN AG876; SOURCE 3 ORGANISM_TAXID: 82830; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_PLASMID: PDUET; SOURCE 7 MOL_ID: 2; SOURCE 8 SYNTHETIC: YES; SOURCE 9 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 10 ORGANISM_COMMON: HUMAN; SOURCE 11 ORGANISM_TAXID: 9606 KEYWDS MITOCHONDRION, EARLY PROTEIN, TRANSMEMBRANE, VIRAL PROTEIN, APOPTOSIS EXPDTA X-RAY DIFFRACTION AUTHOR M.KVANSAKUL,D.C.S.HUANG,P.M.COLMAN REVDAT 4 28-MAR-18 2WH6 1 SOURCE JRNL REMARK REVDAT 3 13-JUL-11 2WH6 1 VERSN REVDAT 2 16-FEB-11 2WH6 1 JRNL REMARK REVDAT 1 26-MAY-10 2WH6 0 JRNL AUTH M.KVANSAKUL,A.H.WEI,J.I.FLETCHER,S.N.WILLIS,L.CHEN, JRNL AUTH 2 A.W.ROBERTS,D.C.HUANG,P.M.COLMAN JRNL TITL STRUCTURAL BASIS FOR APOPTOSIS INHIBITION BY EPSTEIN-BARR JRNL TITL 2 VIRUS BHRF1. JRNL REF PLOS PATHOG. V. 6 01236 2010 JRNL REFN ESSN 1553-7374 JRNL PMID 21203485 JRNL DOI 10.1371/JOURNAL.PPAT.1001236 REMARK 2 REMARK 2 RESOLUTION. 1.50 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0019 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 98.8 REMARK 3 NUMBER OF REFLECTIONS : 32170 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.199 REMARK 3 R VALUE (WORKING SET) : 0.198 REMARK 3 FREE R VALUE : 0.205 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1705 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.50 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.54 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2169 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2970 REMARK 3 BIN FREE R VALUE SET COUNT : 104 REMARK 3 BIN FREE R VALUE : 0.3360 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1457 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 21 REMARK 3 SOLVENT ATOMS : 115 REMARK 3 REMARK 3 B VALUES. REMARK 3 B VALUE TYPE : LIKELY RESIDUAL REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 27.02 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.076 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.070 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.049 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.875 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.959 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.953 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1504 ; 0.015 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2046 ; 1.685 ; 1.942 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 183 ;11.678 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 75 ;29.789 ;23.067 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 246 ;15.402 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 14 ;22.297 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 228 ; 0.115 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1145 ; 0.009 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 810 ; 0.253 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1040 ; 0.313 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 91 ; 0.262 ; 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): 48 ; 0.201 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 18 ; 0.324 ; 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): 918 ; 1.430 ; 2.000 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1455 ; 2.371 ; 3.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 670 ; 3.404 ; 5.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 588 ; 4.668 ; 6.000 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 3 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 1 A 159 REMARK 3 ORIGIN FOR THE GROUP (A): -31.2863 10.8281 4.9905 REMARK 3 T TENSOR REMARK 3 T11: -0.0182 T22: -0.0602 REMARK 3 T33: -0.0487 T12: -0.0351 REMARK 3 T13: -0.0121 T23: 0.0172 REMARK 3 L TENSOR REMARK 3 L11: 0.3053 L22: 1.0312 REMARK 3 L33: 1.5152 L12: 0.3420 REMARK 3 L13: -0.2875 L23: -0.5980 REMARK 3 S TENSOR REMARK 3 S11: -0.0555 S12: 0.0472 S13: -0.0333 REMARK 3 S21: -0.0507 S22: 0.0960 S23: 0.0569 REMARK 3 S31: -0.1177 S32: -0.0378 S33: -0.0404 REMARK 3 REMARK 3 TLS GROUP : 2 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 51 B 76 REMARK 3 ORIGIN FOR THE GROUP (A): -27.1692 24.9296 9.2571 REMARK 3 T TENSOR REMARK 3 T11: 0.1921 T22: -0.1638 REMARK 3 T33: -0.0635 T12: -0.0904 REMARK 3 T13: 0.1041 T23: -0.0042 REMARK 3 L TENSOR REMARK 3 L11: 7.5978 L22: 3.2718 REMARK 3 L33: 3.3341 L12: 0.6473 REMARK 3 L13: 2.5020 L23: 1.2713 REMARK 3 S TENSOR REMARK 3 S11: 0.0839 S12: -0.2723 S13: 0.5385 REMARK 3 S21: -0.4480 S22: 0.2327 S23: 0.0050 REMARK 3 S31: -0.4916 S32: 0.3781 S33: -0.3166 REMARK 3 REMARK 3 TLS GROUP : 3 REMARK 3 NUMBER OF COMPONENTS GROUP : 4 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 2001 A 2099 REMARK 3 RESIDUE RANGE : B 2001 B 2016 REMARK 3 RESIDUE RANGE : A 1159 A 1167 REMARK 3 RESIDUE RANGE : A 1168 A 1169 REMARK 3 ORIGIN FOR THE GROUP (A): -30.6051 12.5791 5.2648 REMARK 3 T TENSOR REMARK 3 T11: 0.0402 T22: 0.0284 REMARK 3 T33: 0.0625 T12: -0.0183 REMARK 3 T13: -0.0006 T23: 0.0005 REMARK 3 L TENSOR REMARK 3 L11: 1.5328 L22: 1.2257 REMARK 3 L33: 2.4635 L12: 0.2994 REMARK 3 L13: -0.3345 L23: -0.6295 REMARK 3 S TENSOR REMARK 3 S11: 0.0016 S12: -0.0351 S13: 0.0229 REMARK 3 S21: 0.0583 S22: 0.0496 S23: -0.0564 REMARK 3 S31: -0.1638 S32: -0.0246 S33: -0.0512 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS. REMARK 4 REMARK 4 2WH6 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 01-MAY-09. REMARK 100 THE DEPOSITION ID IS D_1290036537. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 29-SEP-07 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 4.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SLS REMARK 200 BEAMLINE : X06SA REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.987 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 32170 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.500 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 (%) : 98.8 REMARK 200 DATA REDUNDANCY : 9.600 REMARK 200 R MERGE (I) : 0.04000 REMARK 200 R SYM (I) : NULL REMARK 200
FOR THE DATA SET : 40.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.50 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.55 REMARK 200 COMPLETENESS FOR SHELL (%) : 93.1 REMARK 200 DATA REDUNDANCY IN SHELL : 6.70 REMARK 200 R MERGE FOR SHELL (I) : 0.57000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200
FOR SHELL : 2.400 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: PDB ENTRY 2V6Q REMARK 200 REMARK 200 REMARK: NONE REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 46.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.28 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M MALIC ACID PH 4 1.25 M NABR, PH REMARK 280 4.0 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+1/3 REMARK 290 6555 -X,-X+Y,-Z+2/3 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 61.58867 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 30.79433 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 30.79433 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 61.58867 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3410 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 8880 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -17.5 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A -12 REMARK 465 GLY A -11 REMARK 465 SER A -10 REMARK 465 HIS A -9 REMARK 465 HIS A -8 REMARK 465 HIS A -7 REMARK 465 HIS A -6 REMARK 465 HIS A -5 REMARK 465 HIS A -4 REMARK 465 SER A -3 REMARK 465 GLN A -2 REMARK 465 ASP A -1 REMARK 465 PRO A 0 REMARK 465 MET A 1 REMARK 465 PRO A 159 REMARK 465 GLY A 160 REMARK 465 TYR B 73 REMARK 465 ALA B 74 REMARK 465 ARG B 75 REMARK 465 ARG B 76 REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 HIS A 92 ND1 CE1 NE2 REMARK 480 ASP A 95 CG OD1 OD2 REMARK 480 GLN A 146 OE1 NE2 REMARK 480 ARG B 53 CD NE CZ NH1 NH2 REMARK 480 ARG B 64 NH1 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 2054 O HOH A 2080 1.95 REMARK 500 O HOH B 2012 O HOH B 2013 1.97 REMARK 500 O ILE A 158 O HOH A 2097 2.03 REMARK 500 O HOH A 2030 O HOH A 2031 2.10 REMARK 500 NE2 HIS A 92 O HOH A 2062 2.13 REMARK 500 O GLY A 94 O HOH A 2067 2.14 REMARK 500 O HOH B 2008 O HOH B 2009 2.14 REMARK 500 O GLU A 155 O HOH A 2095 2.16 REMARK 500 NH1 ARG A 60 BR BR A 1166 2.18 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 2021 O HOH A 2055 5555 2.07 REMARK 500 OE1 GLU A 59 ND2 ASN A 84 2564 2.08 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) 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 RES CSSEQI ATM2 DEVIATION REMARK 500 GLU A 55 CD GLU A 55 OE2 0.071 REMARK 500 HIS A 92 NE2 HIS A 92 CD2 -0.076 REMARK 500 GLN A 146 CD GLN A 146 OE1 0.200 REMARK 500 ARG B 53 CG ARG B 53 CD -0.245 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 HIS A 92 ND1 - CG - CD2 ANGL. DEV. = -11.5 DEGREES REMARK 500 HIS A 92 CB - CG - ND1 ANGL. DEV. = -8.8 DEGREES REMARK 500 ASP A 95 CA - CB - CG ANGL. DEV. = -22.4 DEGREES REMARK 500 ASP A 95 CB - CG - OD1 ANGL. DEV. = 35.0 DEGREES REMARK 500 ASP A 95 CB - CG - OD2 ANGL. DEV. = -31.9 DEGREES REMARK 500 ARG B 53 CB - CG - CD ANGL. DEV. = 19.7 DEGREES REMARK 500 ARG B 64 NH1 - CZ - NH2 ANGL. DEV. = -9.8 DEGREES REMARK 500 ARG B 64 NE - CZ - NH1 ANGL. DEV. = 9.5 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 THR A 36 -75.52 -60.70 REMARK 500 HIS A 78 89.76 -158.60 REMARK 500 ARG A 93 67.48 -112.78 REMARK 500 ASN B 70 -7.16 -51.38 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 THR A 36 PRO A 37 35.54 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 HIS A 92 0.17 SIDE CHAIN REMARK 500 GLN A 146 0.11 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 THR A 36 12.36 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BR A 1159 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BR A 1160 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BR A 1161 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BR A 1162 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BR A 1163 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BR A 1164 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BR A 1165 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BR A 1166 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 1168 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 1169 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2VM6 RELATED DB: PDB REMARK 900 HUMAN BCL-2A1 IN COMPLEX WITH BIM REMARK 900 RELATED ID: 1Q59 RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF THE BHRF1 PROTEIN FROM EPSTEIN-BARRVIRUS, A REMARK 900 HOMOLOG OF HUMAN BCL -2 REMARK 900 RELATED ID: 2V6Q RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF A BHRF-1 : BIM BH3 COMPLEX DBREF 2WH6 A 1 160 UNP P03182 EAR_EBV 1 160 DBREF 2WH6 B 51 76 UNP O43521 B2L11_HUMAN 51 76 SEQADV 2WH6 MET A -12 UNP P03182 EXPRESSION TAG SEQADV 2WH6 GLY A -11 UNP P03182 EXPRESSION TAG SEQADV 2WH6 SER A -10 UNP P03182 EXPRESSION TAG SEQADV 2WH6 HIS A -9 UNP P03182 EXPRESSION TAG SEQADV 2WH6 HIS A -8 UNP P03182 EXPRESSION TAG SEQADV 2WH6 HIS A -7 UNP P03182 EXPRESSION TAG SEQADV 2WH6 HIS A -6 UNP P03182 EXPRESSION TAG SEQADV 2WH6 HIS A -5 UNP P03182 EXPRESSION TAG SEQADV 2WH6 HIS A -4 UNP P03182 EXPRESSION TAG SEQADV 2WH6 SER A -3 UNP P03182 EXPRESSION TAG SEQADV 2WH6 GLN A -2 UNP P03182 EXPRESSION TAG SEQADV 2WH6 ASP A -1 UNP P03182 EXPRESSION TAG SEQADV 2WH6 PRO A 0 UNP P03182 EXPRESSION TAG SEQRES 1 A 173 MET GLY SER HIS HIS HIS HIS HIS HIS SER GLN ASP PRO SEQRES 2 A 173 MET ALA TYR SER THR ARG GLU ILE LEU LEU ALA LEU CYS SEQRES 3 A 173 ILE ARG ASP SER ARG VAL HIS GLY ASN GLY THR LEU HIS SEQRES 4 A 173 PRO VAL LEU GLU LEU ALA ALA ARG GLU THR PRO LEU ARG SEQRES 5 A 173 LEU SER PRO GLU ASP THR VAL VAL LEU ARG TYR HIS VAL SEQRES 6 A 173 LEU LEU GLU GLU ILE ILE GLU ARG ASN SER GLU THR PHE SEQRES 7 A 173 THR GLU THR TRP ASN ARG PHE ILE THR HIS THR GLU HIS SEQRES 8 A 173 VAL ASP LEU ASP PHE ASN SER VAL PHE LEU GLU ILE PHE SEQRES 9 A 173 HIS ARG GLY ASP PRO SER LEU GLY ARG ALA LEU ALA TRP SEQRES 10 A 173 MET ALA TRP CYS MET HIS ALA CYS ARG THR LEU CYS CYS SEQRES 11 A 173 ASN GLN SER THR PRO TYR TYR VAL VAL ASP LEU SER VAL SEQRES 12 A 173 ARG GLY MET LEU GLU ALA SER GLU GLY LEU ASP GLY TRP SEQRES 13 A 173 ILE HIS GLN GLN GLY GLY TRP SER THR LEU ILE GLU ASP SEQRES 14 A 173 ASN ILE PRO GLY SEQRES 1 B 26 ASP MET ARG PRO GLU ILE TRP ILE ALA GLN GLU LEU ARG SEQRES 2 B 26 ARG ILE GLY ASP GLU PHE ASN ALA TYR TYR ALA ARG ARG HET BR A1159 1 HET BR A1160 1 HET BR A1161 1 HET BR A1162 1 HET BR A1163 1 HET BR A1164 1 HET BR A1165 1 HET BR A1166 1 HET BR A1167 1 HET GOL A1168 6 HET GOL A1169 6 HETNAM BR BROMIDE ION HETNAM GOL GLYCEROL HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL FORMUL 3 BR 9(BR 1-) FORMUL 12 GOL 2(C3 H8 O3) FORMUL 14 HOH *115(H2 O) HELIX 1 1 SER A 4 VAL A 19 1 16 HELIX 2 2 HIS A 26 THR A 36 1 11 HELIX 3 3 ASP A 44 ASN A 61 1 18 HELIX 4 4 ASN A 61 THR A 76 1 16 HELIX 5 5 HIS A 78 HIS A 92 1 15 HELIX 6 6 SER A 97 ASN A 118 1 22 HELIX 7 7 PRO A 122 GLU A 138 1 17 HELIX 8 8 LEU A 140 GLN A 147 1 8 HELIX 9 9 GLY A 148 ASN A 157 1 10 HELIX 10 10 MET B 52 ASN B 70 1 19 SITE 1 AC1 2 VAL A 79 BR A1163 SITE 1 AC2 2 SER A 41 ASN A 70 SITE 1 AC3 1 SER A 62 SITE 1 AC4 2 TRP A 69 LEU A 115 SITE 1 AC5 3 TYR A 123 TYR A 124 BR A1159 SITE 1 AC6 2 ARG A 49 GLU A 155 SITE 1 AC7 4 ARG A 93 ILE B 56 GLN B 60 ARG B 63 SITE 1 AC8 2 ARG A 60 ASN A 61 SITE 1 AC9 5 ARG A 6 THR A 36 ARG A 131 GLU A 135 SITE 2 AC9 5 HOH A2081 SITE 1 BC1 6 ALA A 33 LEU A 38 SER A 62 GLU A 63 SITE 2 BC1 6 THR A 66 HOH A2043 CRYST1 62.747 62.747 92.383 90.00 90.00 120.00 P 32 2 1 6 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.015937 0.009201 0.000000 0.00000 SCALE2 0.000000 0.018402 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010825 0.00000 ATOM 1 N ALA A 2 -49.174 8.703 4.383 1.00 38.58 N ATOM 2 CA ALA A 2 -48.928 7.915 5.606 1.00 37.58 C ATOM 3 C ALA A 2 -47.590 7.139 5.573 1.00 36.76 C ATOM 4 O ALA A 2 -47.374 6.280 6.428 1.00 38.98 O ATOM 5 CB ALA A 2 -50.103 6.975 5.894 1.00 39.21 C ATOM 6 N TYR A 3 -46.695 7.427 4.620 1.00 34.68 N ATOM 7 CA TYR A 3 -45.303 6.931 4.760 1.00 32.65 C ATOM 8 C TYR A 3 -44.573 7.785 5.790 1.00 29.87 C ATOM 9 O TYR A 3 -44.714 9.008 5.775 1.00 30.72 O ATOM 10 CB TYR A 3 -44.542 6.974 3.441 1.00 34.35 C ATOM 11 CG TYR A 3 -45.149 6.084 2.388 1.00 39.03 C ATOM 12 CD1 TYR A 3 -45.109 4.687 2.514 1.00 41.08 C ATOM 13 CD2 TYR A 3 -45.767 6.636 1.268 1.00 40.52 C ATOM 14 CE1 TYR A 3 -45.696 3.854 1.538 1.00 43.85 C ATOM 15 CE2 TYR A 3 -46.347 5.825 0.285 1.00 42.81 C ATOM 16 CZ TYR A 3 -46.306 4.435 0.427 1.00 42.04 C ATOM 17 OH TYR A 3 -46.880 3.637 -0.548 1.00 41.59 O ATOM 18 N SER A 4 -43.806 7.136 6.672 1.00 25.71 N ATOM 19 CA SER A 4 -43.081 7.832 7.739 1.00 22.63 C ATOM 20 C SER A 4 -41.832 8.445 7.155 1.00 20.24 C ATOM 21 O SER A 4 -41.405 8.087 6.052 1.00 21.26 O ATOM 22 CB SER A 4 -42.687 6.879 8.843 1.00 21.86 C ATOM 23 OG SER A 4 -41.674 5.983 8.399 1.00 22.42 O ATOM 24 N THR A 5 -41.262 9.394 7.885 1.00 19.79 N ATOM 25 CA THR A 5 -39.996 10.062 7.481 1.00 19.78 C ATOM 26 C THR A 5 -38.882 9.042 7.411 1.00 19.30 C ATOM 27 O THR A 5 -38.095 9.057 6.471 1.00 18.73 O ATOM 28 CB THR A 5 -39.613 11.192 8.443 1.00 21.18 C ATOM 29 OG1 THR A 5 -40.687 12.147 8.428 1.00 23.31 O ATOM 30 CG2 THR A 5 -38.369 11.907 7.927 1.00 20.23 C ATOM 31 N ARG A 6 -38.873 8.103 8.346 1.00 19.30 N ATOM 32 CA ARG A 6 -37.879 7.043 8.278 1.00 18.96 C ATOM 33 C ARG A 6 -38.008 6.257 6.950 1.00 16.96 C ATOM 34 O ARG A 6 -37.012 5.948 6.285 1.00 18.01 O ATOM 35 CB ARG A 6 -38.037 6.128 9.484 1.00 21.49 C ATOM 36 CG ARG A 6 -37.194 4.931 9.481 1.00 23.92 C ATOM 37 CD ARG A 6 -36.970 4.493 10.974 1.00 29.55 C ATOM 38 NE ARG A 6 -38.208 4.062 11.592 1.00 31.56 N ATOM 39 CZ ARG A 6 -38.274 3.045 12.457 1.00 33.47 C ATOM 40 NH1 ARG A 6 -39.447 2.685 12.983 1.00 33.51 N ATOM 41 NH2 ARG A 6 -37.166 2.361 12.765 1.00 31.02 N ATOM 42 N GLU A 7 -39.243 5.889 6.560 1.00 18.09 N ATOM 43 CA GLU A 7 -39.443 5.170 5.292 1.00 18.54 C ATOM 44 C GLU A 7 -38.967 6.006 4.113 1.00 17.59 C ATOM 45 O GLU A 7 -38.278 5.499 3.223 1.00 20.10 O ATOM 46 CB GLU A 7 -40.914 4.799 5.086 1.00 20.44 C ATOM 47 CG GLU A 7 -41.348 3.614 5.911 1.00 22.61 C ATOM 48 CD GLU A 7 -42.802 3.316 5.657 1.00 29.90 C ATOM 49 OE1 GLU A 7 -43.665 4.084 6.161 1.00 30.26 O ATOM 50 OE2 GLU A 7 -43.078 2.367 4.899 1.00 32.65 O ATOM 51 N ILE A 8 -39.343 7.293 4.089 1.00 17.43 N ATOM 52 CA AILE A 8 -38.949 8.061 2.904 0.50 18.69 C ATOM 53 CA BILE A 8 -38.963 8.190 2.982 0.50 19.29 C ATOM 54 C ILE A 8 -37.443 8.297 2.868 1.00 17.44 C ATOM 55 O ILE A 8 -36.849 8.161 1.796 1.00 17.87 O ATOM 56 CB AILE A 8 -39.802 9.308 2.611 0.50 19.83 C ATOM 57 CB BILE A 8 -39.612 9.584 3.180 0.50 20.80 C ATOM 58 CG1AILE A 8 -39.556 9.757 1.154 0.50 19.44 C ATOM 59 CG1BILE A 8 -41.135 9.476 2.974 0.50 20.84 C ATOM 60 CG2AILE A 8 -39.533 10.406 3.652 0.50 19.61 C ATOM 61 CG2BILE A 8 -38.980 10.652 2.267 0.50 22.20 C ATOM 62 CD1AILE A 8 -40.494 10.838 0.640 0.50 17.70 C ATOM 63 CD1BILE A 8 -41.590 9.365 1.501 0.50 25.39 C ATOM 64 N LEU A 9 -36.818 8.582 4.020 1.00 17.89 N ATOM 65 CA LEU A 9 -35.371 8.709 3.992 1.00 16.87 C ATOM 66 C LEU A 9 -34.674 7.429 3.579 1.00 16.69 C ATOM 67 O LEU A 9 -33.711 7.464 2.792 1.00 17.74 O ATOM 68 CB LEU A 9 -34.808 9.212 5.346 1.00 17.97 C ATOM 69 CG LEU A 9 -33.296 9.438 5.406 1.00 16.56 C ATOM 70 CD1 LEU A 9 -32.863 10.486 4.342 1.00 17.98 C ATOM 71 CD2 LEU A 9 -32.935 9.999 6.754 1.00 17.87 C ATOM 72 N LEU A 10 -35.155 6.302 4.094 1.00 16.28 N ATOM 73 CA LEU A 10 -34.485 5.044 3.762 1.00 16.23 C ATOM 74 C LEU A 10 -34.674 4.743 2.248 1.00 16.89 C ATOM 75 O LEU A 10 -33.716 4.308 1.587 1.00 17.29 O ATOM 76 CB LEU A 10 -35.017 3.903 4.623 1.00 16.23 C ATOM 77 CG LEU A 10 -34.513 2.512 4.289 1.00 18.83 C ATOM 78 CD1 LEU A 10 -32.983 2.431 4.351 1.00 18.96 C ATOM 79 CD2 LEU A 10 -35.197 1.607 5.299 1.00 21.99 C ATOM 80 N ALA A 11 -35.874 4.991 1.715 1.00 16.74 N ATOM 81 CA ALA A 11 -36.100 4.776 0.292 1.00 17.63 C ATOM 82 C ALA A 11 -35.172 5.679 -0.529 1.00 16.92 C ATOM 83 O ALA A 11 -34.617 5.220 -1.544 1.00 18.40 O ATOM 84 CB ALA A 11 -37.547 5.062 -0.054 1.00 17.78 C ATOM 85 N LEU A 12 -34.997 6.933 -0.093 1.00 16.77 N ATOM 86 CA LEU A 12 -34.089 7.878 -0.807 1.00 16.35 C ATOM 87 C LEU A 12 -32.656 7.390 -0.796 1.00 17.97 C ATOM 88 O LEU A 12 -31.912 7.470 -1.791 1.00 18.85 O ATOM 89 CB LEU A 12 -34.174 9.250 -0.144 1.00 18.82 C ATOM 90 CG LEU A 12 -35.471 9.994 -0.499 1.00 18.08 C ATOM 91 CD1 LEU A 12 -35.704 11.129 0.456 1.00 19.16 C ATOM 92 CD2 LEU A 12 -35.312 10.577 -1.915 1.00 20.27 C ATOM 93 N CYS A 13 -32.225 6.869 0.354 1.00 15.70 N ATOM 94 CA CYS A 13 -30.854 6.373 0.424 1.00 17.33 C ATOM 95 C CYS A 13 -30.642 5.148 -0.454 1.00 17.85 C ATOM 96 O CYS A 13 -29.573 4.968 -1.026 1.00 18.37 O ATOM 97 CB CYS A 13 -30.450 6.072 1.871 1.00 17.24 C ATOM 98 SG CYS A 13 -30.263 7.557 2.932 1.00 19.05 S ATOM 99 N ILE A 14 -31.623 4.266 -0.447 1.00 17.01 N ATOM 100 CA ILE A 14 -31.506 3.116 -1.331 1.00 17.38 C ATOM 101 C ILE A 14 -31.496 3.516 -2.811 1.00 18.40 C ATOM 102 O ILE A 14 -30.648 3.038 -3.569 1.00 19.85 O ATOM 103 CB ILE A 14 -32.642 2.154 -1.022 1.00 16.84 C ATOM 104 CG1 ILE A 14 -32.437 1.490 0.361 1.00 19.08 C ATOM 105 CG2 ILE A 14 -32.751 1.007 -2.139 1.00 19.04 C ATOM 106 CD1 ILE A 14 -33.762 0.896 0.966 1.00 20.83 C ATOM 107 N ARG A 15 -32.444 4.339 -3.219 1.00 17.42 N ATOM 108 CA ARG A 15 -32.416 4.852 -4.590 1.00 19.80 C ATOM 109 C ARG A 15 -31.048 5.483 -4.907 1.00 19.74 C ATOM 110 O ARG A 15 -30.421 5.193 -5.963 1.00 21.14 O ATOM 111 CB ARG A 15 -33.555 5.848 -4.795 1.00 19.47 C ATOM 112 CG ARG A 15 -33.525 6.572 -6.181 1.00 23.97 C ATOM 113 CD ARG A 15 -33.621 5.540 -7.306 1.00 25.94 C ATOM 114 NE ARG A 15 -33.510 6.212 -8.596 1.00 32.62 N ATOM 115 CZ ARG A 15 -33.704 5.627 -9.769 1.00 37.56 C ATOM 116 NH1 ARG A 15 -34.009 4.335 -9.827 1.00 35.06 N ATOM 117 NH2 ARG A 15 -33.592 6.357 -10.877 1.00 35.87 N ATOM 118 N ASP A 16 -30.545 6.330 -3.988 1.00 18.34 N ATOM 119 CA ASP A 16 -29.275 6.999 -4.232 1.00 18.79 C ATOM 120 C ASP A 16 -28.180 5.949 -4.448 1.00 22.07 C ATOM 121 O ASP A 16 -27.344 6.121 -5.352 1.00 24.25 O ATOM 122 CB ASP A 16 -28.936 7.945 -3.096 1.00 18.22 C ATOM 123 CG ASP A 16 -27.886 8.932 -3.484 1.00 21.34 C ATOM 124 OD1 ASP A 16 -28.138 9.726 -4.418 1.00 22.91 O ATOM 125 OD2 ASP A 16 -26.841 8.930 -2.828 1.00 24.98 O ATOM 126 N SER A 17 -28.192 4.853 -3.676 1.00 21.41 N ATOM 127 CA SER A 17 -27.235 3.749 -3.874 1.00 23.37 C ATOM 128 C SER A 17 -27.416 3.060 -5.206 1.00 24.50 C ATOM 129 O SER A 17 -26.410 2.674 -5.831 1.00 27.17 O ATOM 130 CB SER A 17 -27.351 2.718 -2.755 1.00 24.72 C ATOM 131 OG SER A 17 -26.761 3.234 -1.572 1.00 29.41 O ATOM 132 N ARG A 18 -28.681 2.859 -5.607 1.00 24.83 N ATOM 133 CA ARG A 18 -29.000 2.203 -6.882 1.00 25.18 C ATOM 134 C ARG A 18 -28.437 2.955 -8.064 1.00 26.41 C ATOM 135 O ARG A 18 -28.200 2.351 -9.116 1.00 27.48 O ATOM 136 CB ARG A 18 -30.518 2.015 -7.052 1.00 23.49 C ATOM 137 CG ARG A 18 -31.080 0.976 -6.104 1.00 25.83 C ATOM 138 CD ARG A 18 -30.622 -0.412 -6.461 1.00 26.45 C ATOM 139 NE ARG A 18 -31.304 -1.419 -5.639 1.00 25.08 N ATOM 140 CZ ARG A 18 -30.714 -2.502 -5.163 1.00 25.39 C ATOM 141 NH1 ARG A 18 -29.423 -2.724 -5.411 1.00 25.04 N ATOM 142 NH2 ARG A 18 -31.410 -3.347 -4.397 1.00 26.12 N ATOM 143 N VAL A 19 -28.203 4.257 -7.876 1.00 25.63 N ATOM 144 CA VAL A 19 -27.713 5.130 -8.970 1.00 29.05 C ATOM 145 C VAL A 19 -26.292 5.653 -8.792 1.00 31.77 C ATOM 146 O VAL A 19 -25.854 6.520 -9.561 1.00 35.11 O ATOM 147 CB VAL A 19 -28.717 6.273 -9.283 1.00 27.04 C ATOM 148 CG1 VAL A 19 -30.073 5.712 -9.642 1.00 29.89 C ATOM 149 CG2 VAL A 19 -28.839 7.262 -8.138 1.00 29.50 C ATOM 150 N HIS A 20 -25.566 5.150 -7.806 1.00 33.71 N ATOM 151 CA HIS A 20 -24.148 5.478 -7.653 1.00 36.20 C ATOM 152 C HIS A 20 -23.327 4.188 -7.630 1.00 39.12 C ATOM 153 O HIS A 20 -23.819 3.126 -7.214 1.00 39.30 O ATOM 154 CB HIS A 20 -23.876 6.342 -6.402 1.00 35.54 C ATOM 155 CG HIS A 20 -24.453 7.722 -6.483 1.00 34.15 C ATOM 156 ND1 HIS A 20 -23.694 8.833 -6.781 1.00 35.61 N ATOM 157 CD2 HIS A 20 -25.721 8.170 -6.329 1.00 27.58 C ATOM 158 CE1 HIS A 20 -24.472 9.902 -6.812 1.00 32.07 C ATOM 159 NE2 HIS A 20 -25.709 9.527 -6.547 1.00 33.74 N ATOM 160 N GLY A 21 -22.089 4.282 -8.111 1.00 41.03 N ATOM 161 CA GLY A 21 -21.166 3.145 -8.160 1.00 43.52 C ATOM 162 C GLY A 21 -21.752 1.893 -8.791 1.00 45.21 C ATOM 163 O GLY A 21 -22.282 1.954 -9.910 1.00 46.20 O ATOM 164 N ASN A 22 -21.679 0.772 -8.059 1.00 46.04 N ATOM 165 CA ASN A 22 -22.113 -0.552 -8.552 1.00 46.53 C ATOM 166 C ASN A 22 -23.635 -0.693 -8.639 1.00 45.44 C ATOM 167 O ASN A 22 -24.140 -1.661 -9.228 1.00 45.00 O ATOM 168 CB ASN A 22 -21.589 -1.707 -7.660 1.00 47.90 C ATOM 169 CG ASN A 22 -20.247 -1.405 -6.985 1.00 50.30 C ATOM 170 OD1 ASN A 22 -20.083 -1.667 -5.792 1.00 52.93 O ATOM 171 ND2 ASN A 22 -19.284 -0.879 -7.745 1.00 52.65 N ATOM 172 N GLY A 23 -24.351 0.254 -8.023 1.00 43.04 N ATOM 173 CA GLY A 23 -25.805 0.166 -7.843 1.00 41.25 C ATOM 174 C GLY A 23 -26.210 -0.873 -6.804 1.00 39.59 C ATOM 175 O GLY A 23 -27.392 -1.226 -6.686 1.00 40.31 O ATOM 176 N THR A 24 -25.220 -1.355 -6.053 1.00 37.48 N ATOM 177 CA THR A 24 -25.394 -2.411 -5.070 1.00 35.97 C ATOM 178 C THR A 24 -25.736 -1.767 -3.733 1.00 33.27 C ATOM 179 O THR A 24 -25.372 -0.603 -3.477 1.00 33.14 O ATOM 180 CB THR A 24 -24.113 -3.280 -4.968 1.00 36.15 C ATOM 181 OG1 THR A 24 -23.846 -3.863 -6.248 1.00 39.44 O ATOM 182 CG2 THR A 24 -24.264 -4.390 -3.956 1.00 38.89 C ATOM 183 N LEU A 25 -26.456 -2.520 -2.896 1.00 29.72 N ATOM 184 CA LEU A 25 -26.856 -2.015 -1.588 1.00 26.82 C ATOM 185 C LEU A 25 -25.954 -2.500 -0.473 1.00 24.81 C ATOM 186 O LEU A 25 -25.717 -3.696 -0.281 1.00 24.02 O ATOM 187 CB LEU A 25 -28.302 -2.414 -1.239 1.00 28.27 C ATOM 188 CG LEU A 25 -29.496 -1.844 -2.006 1.00 27.30 C ATOM 189 CD1 LEU A 25 -30.715 -2.087 -1.116 1.00 31.17 C ATOM 190 CD2 LEU A 25 -29.335 -0.340 -2.343 1.00 27.30 C ATOM 191 N HIS A 26 -25.488 -1.556 0.331 1.00 23.41 N ATOM 192 CA HIS A 26 -24.744 -1.927 1.498 1.00 21.93 C ATOM 193 C HIS A 26 -25.617 -2.814 2.401 1.00 21.21 C ATOM 194 O HIS A 26 -26.802 -2.545 2.553 1.00 20.79 O ATOM 195 CB HIS A 26 -24.318 -0.623 2.236 1.00 21.61 C ATOM 196 CG HIS A 26 -23.363 -0.872 3.354 1.00 21.61 C ATOM 197 ND1 HIS A 26 -22.009 -0.606 3.258 1.00 27.57 N ATOM 198 CD2 HIS A 26 -23.561 -1.416 4.571 1.00 21.23 C ATOM 199 CE1 HIS A 26 -21.422 -0.990 4.378 1.00 19.56 C ATOM 200 NE2 HIS A 26 -22.338 -1.462 5.197 1.00 26.48 N ATOM 201 N PRO A 27 -25.022 -3.852 3.035 1.00 22.31 N ATOM 202 CA PRO A 27 -25.790 -4.703 3.975 1.00 21.55 C ATOM 203 C PRO A 27 -26.605 -3.939 5.011 1.00 19.60 C ATOM 204 O PRO A 27 -27.656 -4.350 5.445 1.00 21.12 O ATOM 205 CB PRO A 27 -24.707 -5.558 4.683 1.00 22.32 C ATOM 206 CG PRO A 27 -23.500 -5.406 3.901 1.00 26.30 C ATOM 207 CD PRO A 27 -23.644 -4.345 2.845 1.00 23.21 C ATOM 208 N VAL A 28 -26.098 -2.773 5.411 1.00 20.08 N ATOM 209 CA VAL A 28 -26.807 -1.984 6.360 1.00 20.45 C ATOM 210 C VAL A 28 -28.188 -1.442 5.835 1.00 20.25 C ATOM 211 O VAL A 28 -29.170 -1.314 6.576 1.00 19.23 O ATOM 212 CB VAL A 28 -25.868 -0.800 6.726 1.00 21.21 C ATOM 213 CG1 VAL A 28 -26.642 0.279 7.376 1.00 22.55 C ATOM 214 CG2 VAL A 28 -24.719 -1.298 7.620 1.00 23.15 C ATOM 215 N LEU A 29 -28.219 -1.128 4.548 1.00 19.79 N ATOM 216 CA LEU A 29 -29.461 -0.633 3.969 1.00 19.09 C ATOM 217 C LEU A 29 -30.470 -1.788 3.793 1.00 17.46 C ATOM 218 O LEU A 29 -31.663 -1.582 3.945 1.00 18.30 O ATOM 219 CB LEU A 29 -29.203 0.071 2.635 1.00 19.87 C ATOM 220 CG LEU A 29 -28.413 1.374 2.745 1.00 21.24 C ATOM 221 CD1 LEU A 29 -28.107 1.847 1.345 1.00 23.25 C ATOM 222 CD2 LEU A 29 -29.275 2.385 3.497 1.00 20.49 C ATOM 223 N GLU A 30 -29.950 -2.967 3.465 1.00 17.60 N ATOM 224 CA GLU A 30 -30.787 -4.189 3.465 1.00 17.75 C ATOM 225 C GLU A 30 -31.403 -4.416 4.841 1.00 18.38 C ATOM 226 O GLU A 30 -32.620 -4.659 4.973 1.00 17.53 O ATOM 227 CB GLU A 30 -29.974 -5.408 3.066 1.00 17.95 C ATOM 228 CG GLU A 30 -29.222 -5.335 1.760 1.00 19.24 C ATOM 229 CD GLU A 30 -30.054 -5.597 0.497 1.00 19.00 C ATOM 230 OE1 GLU A 30 -31.302 -5.687 0.589 1.00 21.78 O ATOM 231 OE2 GLU A 30 -29.410 -5.667 -0.574 1.00 19.84 O ATOM 232 N LEU A 31 -30.563 -4.320 5.891 1.00 18.88 N ATOM 233 CA LEU A 31 -31.013 -4.536 7.274 1.00 19.93 C ATOM 234 C LEU A 31 -32.076 -3.509 7.661 1.00 17.16 C ATOM 235 O LEU A 31 -33.098 -3.830 8.233 1.00 17.86 O ATOM 236 CB LEU A 31 -29.791 -4.470 8.254 1.00 21.94 C ATOM 237 CG LEU A 31 -30.114 -4.623 9.758 1.00 24.71 C ATOM 238 CD1 LEU A 31 -28.826 -4.980 10.496 1.00 28.27 C ATOM 239 CD2 LEU A 31 -30.722 -3.355 10.378 1.00 24.99 C ATOM 240 N ALA A 32 -31.800 -2.245 7.343 1.00 17.97 N ATOM 241 CA ALA A 32 -32.724 -1.203 7.733 1.00 19.30 C ATOM 242 C ALA A 32 -34.079 -1.395 7.049 1.00 18.81 C ATOM 243 O ALA A 32 -35.114 -1.134 7.625 1.00 19.38 O ATOM 244 CB ALA A 32 -32.144 0.173 7.393 1.00 19.78 C ATOM 245 N ALA A 33 -34.046 -1.835 5.778 1.00 18.94 N ATOM 246 CA ALA A 33 -35.312 -2.123 5.069 1.00 18.43 C ATOM 247 C ALA A 33 -36.106 -3.222 5.762 1.00 18.71 C ATOM 248 O ALA A 33 -37.333 -3.139 5.897 1.00 19.38 O ATOM 249 CB ALA A 33 -34.998 -2.550 3.613 1.00 19.41 C ATOM 250 N ARG A 34 -35.401 -4.272 6.201 1.00 17.32 N ATOM 251 CA ARG A 34 -36.061 -5.385 6.874 1.00 19.76 C ATOM 252 C ARG A 34 -36.690 -4.933 8.190 1.00 20.39 C ATOM 253 O ARG A 34 -37.816 -5.310 8.513 1.00 21.70 O ATOM 254 CB ARG A 34 -35.065 -6.506 7.111 1.00 20.26 C ATOM 255 CG ARG A 34 -35.714 -7.743 7.643 1.00 24.45 C ATOM 256 CD ARG A 34 -34.701 -8.835 7.869 1.00 25.28 C ATOM 257 NE ARG A 34 -33.993 -8.579 9.129 1.00 36.77 N ATOM 258 CZ ARG A 34 -32.680 -8.378 9.201 1.00 38.84 C ATOM 259 NH1 ARG A 34 -31.967 -8.442 8.102 1.00 36.93 N ATOM 260 NH2 ARG A 34 -32.071 -8.130 10.359 1.00 38.79 N ATOM 261 N GLU A 35 -35.944 -4.133 8.945 1.00 19.87 N ATOM 262 CA GLU A 35 -36.304 -3.798 10.347 1.00 21.67 C ATOM 263 C GLU A 35 -37.237 -2.615 10.522 1.00 24.39 C ATOM 264 O GLU A 35 -37.875 -2.485 11.569 1.00 26.34 O ATOM 265 CB GLU A 35 -35.023 -3.570 11.154 1.00 21.83 C ATOM 266 CG GLU A 35 -34.208 -4.840 11.374 1.00 22.05 C ATOM 267 CD GLU A 35 -34.952 -5.870 12.216 1.00 24.69 C ATOM 268 OE1 GLU A 35 -34.618 -7.064 12.141 1.00 26.24 O ATOM 269 OE2 GLU A 35 -35.923 -5.519 12.918 1.00 27.34 O ATOM 270 N THR A 36 -37.326 -1.754 9.525 1.00 24.55 N ATOM 271 CA THR A 36 -38.134 -0.522 9.700 1.00 25.44 C ATOM 272 C THR A 36 -39.571 -1.007 9.982 1.00 29.01 C ATOM 273 O THR A 36 -40.117 -0.572 10.988 1.00 30.24 O ATOM 274 CB THR A 36 -37.850 0.491 8.569 1.00 25.52 C ATOM 275 OG1 THR A 36 -36.482 0.910 8.692 1.00 24.88 O ATOM 276 CG2 THR A 36 -38.750 1.701 8.662 1.00 30.21 C ATOM 277 N PRO A 37 -40.294 -1.472 8.965 1.00 28.46 N ATOM 278 CA PRO A 37 -39.893 -2.239 7.805 1.00 27.89 C ATOM 279 C PRO A 37 -40.233 -1.219 6.730 1.00 28.48 C ATOM 280 O PRO A 37 -41.136 -0.363 6.936 1.00 29.35 O ATOM 281 CB PRO A 37 -40.881 -3.396 7.747 1.00 26.90 C ATOM 282 CG PRO A 37 -42.131 -2.918 8.518 1.00 30.06 C ATOM 283 CD PRO A 37 -41.730 -1.675 9.301 1.00 28.89 C ATOM 284 N LEU A 38 -39.524 -1.244 5.613 1.00 26.48 N ATOM 285 CA LEU A 38 -39.788 -0.283 4.533 1.00 26.58 C ATOM 286 C LEU A 38 -40.960 -0.734 3.649 1.00 28.53 C ATOM 287 O LEU A 38 -40.884 -1.818 3.057 1.00 29.89 O ATOM 288 CB LEU A 38 -38.536 -0.153 3.683 1.00 27.66 C ATOM 289 CG LEU A 38 -38.646 0.746 2.449 1.00 25.86 C ATOM 290 CD1 LEU A 38 -38.859 2.213 2.817 1.00 25.46 C ATOM 291 CD2 LEU A 38 -37.391 0.578 1.639 1.00 25.39 C ATOM 292 N ARG A 39 -42.004 0.087 3.517 1.00 28.14 N ATOM 293 CA ARG A 39 -43.150 -0.304 2.667 1.00 29.61 C ATOM 294 C ARG A 39 -43.240 0.569 1.423 1.00 29.23 C ATOM 295 O ARG A 39 -44.159 0.432 0.627 1.00 31.24 O ATOM 296 CB ARG A 39 -44.484 -0.319 3.441 1.00 31.64 C ATOM 297 CG ARG A 39 -44.368 -0.966 4.811 1.00 32.70 C ATOM 298 CD ARG A 39 -45.650 -1.527 5.383 1.00 45.43 C ATOM 299 NE ARG A 39 -45.315 -2.626 6.298 1.00 53.21 N ATOM 300 CZ ARG A 39 -46.055 -3.037 7.324 1.00 55.99 C ATOM 301 NH1 ARG A 39 -47.216 -2.449 7.602 1.00 57.67 N ATOM 302 NH2 ARG A 39 -45.628 -4.043 8.079 1.00 57.21 N ATOM 303 N LEU A 40 -42.248 1.444 1.251 1.00 27.53 N ATOM 304 CA LEU A 40 -42.183 2.352 0.110 1.00 26.37 C ATOM 305 C LEU A 40 -41.118 1.885 -0.883 1.00 25.21 C ATOM 306 O LEU A 40 -39.973 1.609 -0.476 1.00 28.07 O ATOM 307 CB LEU A 40 -41.838 3.757 0.640 1.00 24.54 C ATOM 308 CG LEU A 40 -41.671 4.928 -0.322 1.00 26.99 C ATOM 309 CD1 LEU A 40 -42.877 5.245 -1.201 1.00 25.49 C ATOM 310 CD2 LEU A 40 -41.315 6.142 0.512 1.00 26.16 C ATOM 311 N SER A 41 -41.453 1.843 -2.176 1.00 23.31 N ATOM 312 CA SER A 41 -40.485 1.496 -3.205 1.00 21.81 C ATOM 313 C SER A 41 -39.477 2.647 -3.459 1.00 22.54 C ATOM 314 O SER A 41 -39.877 3.784 -3.673 1.00 22.89 O ATOM 315 CB SER A 41 -41.197 1.178 -4.528 1.00 20.49 C ATOM 316 OG SER A 41 -40.290 1.043 -5.599 1.00 25.74 O ATOM 317 N PRO A 42 -38.178 2.320 -3.563 1.00 24.95 N ATOM 318 CA PRO A 42 -37.191 3.324 -3.986 1.00 25.67 C ATOM 319 C PRO A 42 -37.387 3.853 -5.422 1.00 26.43 C ATOM 320 O PRO A 42 -36.829 4.917 -5.790 1.00 27.43 O ATOM 321 CB PRO A 42 -35.847 2.612 -3.856 1.00 25.61 C ATOM 322 CG PRO A 42 -36.154 1.164 -3.760 1.00 31.18 C ATOM 323 CD PRO A 42 -37.593 0.992 -3.313 1.00 26.04 C ATOM 324 N GLU A 43 -38.168 3.104 -6.222 1.00 27.43 N ATOM 325 CA GLU A 43 -38.503 3.539 -7.572 1.00 29.22 C ATOM 326 C GLU A 43 -39.863 4.219 -7.654 1.00 27.88 C ATOM 327 O GLU A 43 -40.302 4.592 -8.737 1.00 28.40 O ATOM 328 CB GLU A 43 -38.380 2.405 -8.602 1.00 30.61 C ATOM 329 CG GLU A 43 -36.983 2.308 -9.181 1.00 39.40 C ATOM 330 CD GLU A 43 -36.969 1.882 -10.652 1.00 47.68 C ATOM 331 OE1 GLU A 43 -37.810 1.027 -11.042 1.00 50.40 O ATOM 332 OE2 GLU A 43 -36.113 2.404 -11.417 1.00 48.81 O ATOM 333 N ASP A 44 -40.513 4.405 -6.509 1.00 26.38 N ATOM 334 CA ASP A 44 -41.777 5.147 -6.459 1.00 25.73 C ATOM 335 C ASP A 44 -41.560 6.561 -6.929 1.00 26.08 C ATOM 336 O ASP A 44 -40.535 7.172 -6.600 1.00 25.13 O ATOM 337 CB ASP A 44 -42.299 5.165 -5.040 1.00 25.12 C ATOM 338 CG ASP A 44 -43.727 5.631 -4.950 1.00 30.47 C ATOM 339 OD1 ASP A 44 -43.990 6.838 -5.129 1.00 31.44 O ATOM 340 OD2 ASP A 44 -44.611 4.777 -4.686 1.00 34.29 O ATOM 341 N THR A 45 -42.501 7.108 -7.702 1.00 25.60 N ATOM 342 CA THR A 45 -42.317 8.466 -8.235 1.00 25.48 C ATOM 343 C THR A 45 -42.043 9.508 -7.151 1.00 25.03 C ATOM 344 O THR A 45 -41.257 10.420 -7.386 1.00 25.46 O ATOM 345 CB THR A 45 -43.482 8.953 -9.159 1.00 26.91 C ATOM 346 OG1 THR A 45 -44.732 8.862 -8.467 1.00 28.98 O ATOM 347 CG2 THR A 45 -43.544 8.129 -10.432 1.00 30.94 C ATOM 348 N VAL A 46 -42.671 9.364 -5.977 1.00 24.56 N ATOM 349 CA VAL A 46 -42.453 10.338 -4.887 1.00 25.28 C ATOM 350 C VAL A 46 -40.986 10.310 -4.461 1.00 23.74 C ATOM 351 O VAL A 46 -40.386 11.354 -4.231 1.00 22.03 O ATOM 352 CB VAL A 46 -43.395 10.146 -3.657 1.00 24.92 C ATOM 353 CG1 VAL A 46 -43.111 8.834 -2.922 1.00 30.40 C ATOM 354 CG2 VAL A 46 -43.250 11.295 -2.667 1.00 28.00 C ATOM 355 N VAL A 47 -40.402 9.122 -4.427 1.00 21.98 N ATOM 356 CA VAL A 47 -38.984 8.995 -4.080 1.00 21.25 C ATOM 357 C VAL A 47 -38.100 9.568 -5.181 1.00 21.53 C ATOM 358 O VAL A 47 -37.140 10.278 -4.895 1.00 19.17 O ATOM 359 CB VAL A 47 -38.599 7.535 -3.759 1.00 20.45 C ATOM 360 CG1 VAL A 47 -37.052 7.356 -3.515 1.00 18.59 C ATOM 361 CG2 VAL A 47 -39.472 6.991 -2.579 1.00 21.51 C ATOM 362 N LEU A 48 -38.410 9.302 -6.454 1.00 21.52 N ATOM 363 CA LEU A 48 -37.575 9.880 -7.537 1.00 21.81 C ATOM 364 C LEU A 48 -37.627 11.398 -7.511 1.00 21.96 C ATOM 365 O LEU A 48 -36.607 12.069 -7.734 1.00 21.13 O ATOM 366 CB LEU A 48 -37.957 9.363 -8.927 1.00 23.02 C ATOM 367 CG LEU A 48 -37.999 7.836 -9.004 1.00 26.03 C ATOM 368 CD1 LEU A 48 -38.575 7.398 -10.352 1.00 29.54 C ATOM 369 CD2 LEU A 48 -36.613 7.255 -8.782 1.00 31.43 C ATOM 370 N ARG A 49 -38.811 11.944 -7.245 1.00 20.00 N ATOM 371 CA ARG A 49 -38.960 13.375 -7.215 1.00 22.06 C ATOM 372 C ARG A 49 -38.206 14.017 -6.065 1.00 20.71 C ATOM 373 O ARG A 49 -37.486 14.990 -6.278 1.00 21.49 O ATOM 374 CB ARG A 49 -40.443 13.753 -7.234 1.00 23.21 C ATOM 375 CG ARG A 49 -41.061 13.426 -8.608 1.00 24.56 C ATOM 376 CD ARG A 49 -42.574 13.487 -8.583 1.00 28.25 C ATOM 377 NE ARG A 49 -43.029 14.849 -8.412 1.00 27.41 N ATOM 378 CZ ARG A 49 -44.315 15.193 -8.396 1.00 33.13 C ATOM 379 NH1 ARG A 49 -45.244 14.247 -8.512 1.00 34.24 N ATOM 380 NH2 ARG A 49 -44.666 16.473 -8.245 1.00 27.43 N ATOM 381 N TYR A 50 -38.333 13.449 -4.862 1.00 20.14 N ATOM 382 CA TYR A 50 -37.506 13.957 -3.763 1.00 18.52 C ATOM 383 C TYR A 50 -36.039 13.760 -4.004 1.00 18.24 C ATOM 384 O TYR A 50 -35.269 14.596 -3.605 1.00 19.09 O ATOM 385 CB TYR A 50 -37.868 13.290 -2.439 1.00 18.30 C ATOM 386 CG TYR A 50 -39.013 13.973 -1.767 1.00 16.90 C ATOM 387 CD1 TYR A 50 -40.296 13.402 -1.769 1.00 20.59 C ATOM 388 CD2 TYR A 50 -38.845 15.198 -1.168 1.00 21.92 C ATOM 389 CE1 TYR A 50 -41.368 14.042 -1.147 1.00 22.10 C ATOM 390 CE2 TYR A 50 -39.908 15.857 -0.580 1.00 19.11 C ATOM 391 CZ TYR A 50 -41.162 15.274 -0.575 1.00 23.97 C ATOM 392 OH TYR A 50 -42.173 15.961 0.054 1.00 24.77 O ATOM 393 N HIS A 51 -35.669 12.652 -4.625 1.00 17.99 N ATOM 394 CA HIS A 51 -34.259 12.426 -4.880 1.00 19.01 C ATOM 395 C HIS A 51 -33.628 13.535 -5.715 1.00 20.00 C ATOM 396 O HIS A 51 -32.522 13.989 -5.412 1.00 20.70 O ATOM 397 CB HIS A 51 -34.040 11.067 -5.490 1.00 18.29 C ATOM 398 CG HIS A 51 -32.597 10.721 -5.666 1.00 22.56 C ATOM 399 ND1 HIS A 51 -31.953 10.810 -6.878 1.00 28.20 N ATOM 400 CD2 HIS A 51 -31.664 10.289 -4.781 1.00 20.36 C ATOM 401 CE1 HIS A 51 -30.688 10.448 -6.734 1.00 27.59 C ATOM 402 NE2 HIS A 51 -30.481 10.139 -5.467 1.00 22.42 N ATOM 403 N VAL A 52 -34.336 13.987 -6.743 1.00 18.80 N ATOM 404 CA VAL A 52 -33.836 15.144 -7.507 1.00 19.57 C ATOM 405 C VAL A 52 -33.742 16.411 -6.654 1.00 19.18 C ATOM 406 O VAL A 52 -32.729 17.151 -6.740 1.00 20.51 O ATOM 407 CB VAL A 52 -34.713 15.465 -8.737 1.00 19.85 C ATOM 408 CG1 VAL A 52 -34.116 16.698 -9.472 1.00 21.00 C ATOM 409 CG2 VAL A 52 -34.792 14.255 -9.683 1.00 27.59 C ATOM 410 N LEU A 53 -34.758 16.708 -5.838 1.00 19.35 N ATOM 411 CA LEU A 53 -34.680 17.938 -5.011 1.00 20.00 C ATOM 412 C LEU A 53 -33.491 17.875 -4.048 1.00 20.47 C ATOM 413 O LEU A 53 -32.765 18.840 -3.853 1.00 19.55 O ATOM 414 CB LEU A 53 -35.930 18.155 -4.165 1.00 22.56 C ATOM 415 CG LEU A 53 -37.282 18.474 -4.770 1.00 28.78 C ATOM 416 CD1 LEU A 53 -38.256 18.685 -3.631 1.00 33.26 C ATOM 417 CD2 LEU A 53 -37.199 19.730 -5.620 1.00 33.52 C ATOM 418 N LEU A 54 -33.300 16.741 -3.395 1.00 18.75 N ATOM 419 CA LEU A 54 -32.171 16.618 -2.470 1.00 17.77 C ATOM 420 C LEU A 54 -30.824 16.653 -3.195 1.00 18.86 C ATOM 421 O LEU A 54 -29.879 17.213 -2.649 1.00 19.22 O ATOM 422 CB LEU A 54 -32.296 15.303 -1.679 1.00 19.33 C ATOM 423 CG LEU A 54 -33.571 15.161 -0.850 1.00 20.68 C ATOM 424 CD1 LEU A 54 -33.411 13.995 0.124 1.00 20.90 C ATOM 425 CD2 LEU A 54 -33.885 16.384 -0.069 1.00 19.49 C ATOM 426 N GLU A 55 -30.722 16.051 -4.389 1.00 19.20 N ATOM 427 CA AGLU A 55 -29.458 16.143 -5.123 0.50 18.95 C ATOM 428 CA BGLU A 55 -29.470 16.119 -5.173 0.50 20.36 C ATOM 429 C GLU A 55 -29.162 17.593 -5.500 1.00 20.18 C ATOM 430 O GLU A 55 -28.017 18.012 -5.428 1.00 21.24 O ATOM 431 CB AGLU A 55 -29.436 15.238 -6.347 0.50 20.33 C ATOM 432 CB BGLU A 55 -29.492 15.235 -6.453 0.50 21.37 C ATOM 433 CG AGLU A 55 -28.212 15.365 -7.254 0.50 16.50 C ATOM 434 CG BGLU A 55 -29.090 13.698 -6.255 0.50 23.73 C ATOM 435 CD AGLU A 55 -26.854 15.024 -6.616 0.50 24.01 C ATOM 436 CD BGLU A 55 -29.007 12.844 -7.580 0.50 22.61 C ATOM 437 OE1AGLU A 55 -26.776 14.503 -5.482 0.50 25.81 O ATOM 438 OE1BGLU A 55 -30.000 12.975 -8.351 0.50 30.48 O ATOM 439 OE2AGLU A 55 -25.834 15.275 -7.287 0.50 21.84 O ATOM 440 OE2BGLU A 55 -28.012 12.013 -7.842 0.50 16.92 O ATOM 441 N GLU A 56 -30.200 18.362 -5.829 1.00 19.01 N ATOM 442 CA GLU A 56 -30.030 19.822 -6.111 1.00 21.47 C ATOM 443 C GLU A 56 -29.502 20.583 -4.900 1.00 21.16 C ATOM 444 O GLU A 56 -28.592 21.401 -5.012 1.00 23.78 O ATOM 445 CB GLU A 56 -31.340 20.442 -6.570 1.00 22.01 C ATOM 446 CG GLU A 56 -31.745 19.959 -7.937 1.00 22.22 C ATOM 447 CD GLU A 56 -33.141 20.323 -8.308 1.00 28.30 C ATOM 448 OE1 GLU A 56 -33.919 20.815 -7.456 1.00 28.71 O ATOM 449 OE2 GLU A 56 -33.468 20.116 -9.503 1.00 25.27 O ATOM 450 N ILE A 57 -30.058 20.289 -3.720 1.00 19.73 N ATOM 451 CA ILE A 57 -29.549 20.883 -2.510 1.00 19.42 C ATOM 452 C ILE A 57 -28.108 20.468 -2.206 1.00 20.59 C ATOM 453 O ILE A 57 -27.317 21.310 -1.813 1.00 20.45 O ATOM 454 CB ILE A 57 -30.492 20.510 -1.297 1.00 19.50 C ATOM 455 CG1 ILE A 57 -31.866 21.182 -1.521 1.00 20.69 C ATOM 456 CG2 ILE A 57 -29.879 20.929 0.002 1.00 19.90 C ATOM 457 CD1 ILE A 57 -33.003 20.645 -0.565 1.00 21.33 C ATOM 458 N ILE A 58 -27.755 19.185 -2.339 1.00 19.11 N ATOM 459 CA ILE A 58 -26.383 18.747 -2.165 1.00 19.93 C ATOM 460 C ILE A 58 -25.454 19.485 -3.108 1.00 20.15 C ATOM 461 O ILE A 58 -24.438 19.986 -2.659 1.00 21.10 O ATOM 462 CB ILE A 58 -26.265 17.212 -2.361 1.00 20.81 C ATOM 463 CG1 ILE A 58 -27.062 16.473 -1.251 1.00 19.53 C ATOM 464 CG2 ILE A 58 -24.802 16.763 -2.374 1.00 21.83 C ATOM 465 CD1 ILE A 58 -27.210 14.986 -1.546 1.00 19.88 C ATOM 466 N GLU A 59 -25.815 19.530 -4.386 1.00 19.45 N ATOM 467 CA GLU A 59 -24.898 20.154 -5.376 1.00 19.35 C ATOM 468 C GLU A 59 -24.711 21.624 -5.067 1.00 21.22 C ATOM 469 O GLU A 59 -23.558 22.122 -5.125 1.00 22.15 O ATOM 470 CB GLU A 59 -25.406 19.890 -6.785 1.00 20.73 C ATOM 471 CG GLU A 59 -25.319 18.403 -7.167 1.00 21.18 C ATOM 472 CD GLU A 59 -25.645 18.156 -8.638 1.00 28.54 C ATOM 473 OE1 GLU A 59 -25.773 19.140 -9.373 1.00 30.90 O ATOM 474 OE2 GLU A 59 -25.784 16.971 -9.034 1.00 31.66 O ATOM 475 N ARG A 60 -25.792 22.334 -4.745 1.00 21.04 N ATOM 476 CA ARG A 60 -25.681 23.788 -4.424 1.00 23.99 C ATOM 477 C ARG A 60 -24.818 24.067 -3.205 1.00 24.85 C ATOM 478 O ARG A 60 -24.250 25.180 -3.059 1.00 24.14 O ATOM 479 CB ARG A 60 -27.055 24.415 -4.195 1.00 24.81 C ATOM 480 CG ARG A 60 -27.797 24.799 -5.432 1.00 32.11 C ATOM 481 CD ARG A 60 -29.158 25.428 -5.053 1.00 35.39 C ATOM 482 NE ARG A 60 -30.303 24.516 -5.240 1.00 44.27 N ATOM 483 CZ ARG A 60 -31.287 24.325 -4.354 1.00 43.41 C ATOM 484 NH1 ARG A 60 -31.317 25.000 -3.215 1.00 43.21 N ATOM 485 NH2 ARG A 60 -32.266 23.483 -4.617 1.00 44.50 N ATOM 486 N ASN A 61 -24.776 23.103 -2.273 1.00 20.99 N ATOM 487 CA ASN A 61 -24.059 23.260 -1.030 1.00 21.73 C ATOM 488 C ASN A 61 -22.973 22.216 -0.882 1.00 20.45 C ATOM 489 O ASN A 61 -22.651 21.771 0.223 1.00 21.60 O ATOM 490 CB ASN A 61 -25.031 23.179 0.164 1.00 21.74 C ATOM 491 CG ASN A 61 -26.170 24.147 0.024 1.00 23.61 C ATOM 492 OD1 ASN A 61 -27.263 23.794 -0.478 1.00 26.92 O ATOM 493 ND2 ASN A 61 -25.919 25.394 0.392 1.00 23.68 N ATOM 494 N SER A 62 -22.403 21.851 -2.037 1.00 20.33 N ATOM 495 CA SER A 62 -21.480 20.726 -2.121 1.00 20.45 C ATOM 496 C SER A 62 -20.384 20.747 -1.084 1.00 18.79 C ATOM 497 O SER A 62 -20.144 19.755 -0.367 1.00 20.98 O ATOM 498 CB SER A 62 -20.863 20.705 -3.530 1.00 22.68 C ATOM 499 OG SER A 62 -20.003 19.592 -3.647 1.00 24.38 O ATOM 500 N GLU A 63 -19.683 21.872 -0.991 1.00 17.83 N ATOM 501 CA GLU A 63 -18.538 21.920 -0.096 1.00 17.53 C ATOM 502 C GLU A 63 -18.957 21.957 1.377 1.00 17.88 C ATOM 503 O GLU A 63 -18.354 21.319 2.243 1.00 18.59 O ATOM 504 CB GLU A 63 -17.653 23.153 -0.407 1.00 19.46 C ATOM 505 CG GLU A 63 -16.528 23.357 0.568 1.00 25.64 C ATOM 506 CD GLU A 63 -15.499 22.242 0.596 1.00 21.45 C ATOM 507 OE1 GLU A 63 -15.458 21.403 -0.332 1.00 26.15 O ATOM 508 OE2 GLU A 63 -14.710 22.225 1.597 1.00 29.46 O ATOM 509 N THR A 64 -20.016 22.690 1.662 1.00 18.18 N ATOM 510 CA THR A 64 -20.496 22.759 3.024 1.00 17.82 C ATOM 511 C THR A 64 -20.967 21.360 3.490 1.00 17.61 C ATOM 512 O THR A 64 -20.704 20.982 4.634 1.00 19.09 O ATOM 513 CB THR A 64 -21.631 23.780 3.162 1.00 18.47 C ATOM 514 OG1 THR A 64 -21.078 25.106 2.872 1.00 20.34 O ATOM 515 CG2 THR A 64 -22.209 23.771 4.617 1.00 19.31 C ATOM 516 N PHE A 65 -21.594 20.609 2.583 1.00 18.96 N ATOM 517 CA PHE A 65 -21.967 19.223 2.966 1.00 19.01 C ATOM 518 C PHE A 65 -20.753 18.347 3.176 1.00 19.07 C ATOM 519 O PHE A 65 -20.723 17.529 4.119 1.00 19.87 O ATOM 520 CB PHE A 65 -22.893 18.641 1.909 1.00 20.08 C ATOM 521 CG PHE A 65 -24.326 19.012 2.113 1.00 18.50 C ATOM 522 CD1 PHE A 65 -24.702 20.195 2.800 1.00 23.39 C ATOM 523 CD2 PHE A 65 -25.323 18.137 1.713 1.00 22.53 C ATOM 524 CE1 PHE A 65 -26.082 20.489 3.025 1.00 23.08 C ATOM 525 CE2 PHE A 65 -26.662 18.427 1.929 1.00 22.29 C ATOM 526 CZ PHE A 65 -27.077 19.566 2.568 1.00 18.54 C ATOM 527 N THR A 66 -19.758 18.451 2.300 1.00 19.24 N ATOM 528 CA THR A 66 -18.517 17.701 2.502 1.00 18.81 C ATOM 529 C THR A 66 -17.855 18.045 3.838 1.00 20.52 C ATOM 530 O THR A 66 -17.454 17.168 4.603 1.00 19.79 O ATOM 531 CB THR A 66 -17.525 17.944 1.351 1.00 19.44 C ATOM 532 OG1 THR A 66 -18.140 17.436 0.168 1.00 22.87 O ATOM 533 CG2 THR A 66 -16.214 17.221 1.618 1.00 20.33 C ATOM 534 N GLU A 67 -17.707 19.347 4.118 1.00 18.86 N ATOM 535 CA GLU A 67 -17.038 19.784 5.324 1.00 20.62 C ATOM 536 C GLU A 67 -17.757 19.406 6.622 1.00 17.91 C ATOM 537 O GLU A 67 -17.142 18.927 7.594 1.00 19.16 O ATOM 538 CB GLU A 67 -16.858 21.323 5.302 1.00 22.93 C ATOM 539 CG GLU A 67 -15.602 21.846 4.687 1.00 28.67 C ATOM 540 CD GLU A 67 -15.449 23.363 4.943 1.00 24.46 C ATOM 541 OE1 GLU A 67 -14.937 23.758 6.001 1.00 39.96 O ATOM 542 OE2 GLU A 67 -15.856 24.090 4.024 1.00 33.68 O ATOM 543 N THR A 68 -19.070 19.657 6.625 1.00 18.13 N ATOM 544 CA THR A 68 -19.866 19.347 7.832 1.00 18.34 C ATOM 545 C THR A 68 -19.838 17.833 8.104 1.00 18.36 C ATOM 546 O THR A 68 -19.684 17.411 9.255 1.00 17.66 O ATOM 547 CB THR A 68 -21.304 19.873 7.701 1.00 18.30 C ATOM 548 OG1 THR A 68 -21.864 19.430 6.487 1.00 18.77 O ATOM 549 CG2 THR A 68 -21.332 21.433 7.809 1.00 18.26 C ATOM 550 N TRP A 69 -19.976 17.034 7.036 1.00 18.33 N ATOM 551 CA TRP A 69 -19.953 15.574 7.267 1.00 17.82 C ATOM 552 C TRP A 69 -18.559 15.137 7.728 1.00 19.57 C ATOM 553 O TRP A 69 -18.441 14.403 8.710 1.00 20.17 O ATOM 554 CB TRP A 69 -20.395 14.826 6.009 1.00 18.32 C ATOM 555 CG TRP A 69 -20.246 13.376 6.254 1.00 19.82 C ATOM 556 CD1 TRP A 69 -19.326 12.552 5.700 1.00 19.14 C ATOM 557 CD2 TRP A 69 -20.966 12.608 7.226 1.00 18.75 C ATOM 558 NE1 TRP A 69 -19.480 11.252 6.229 1.00 21.53 N ATOM 559 CE2 TRP A 69 -20.450 11.292 7.183 1.00 19.38 C ATOM 560 CE3 TRP A 69 -22.016 12.904 8.126 1.00 18.43 C ATOM 561 CZ2 TRP A 69 -20.968 10.259 8.008 1.00 18.51 C ATOM 562 CZ3 TRP A 69 -22.514 11.902 8.947 1.00 17.97 C ATOM 563 CH2 TRP A 69 -21.977 10.592 8.873 1.00 18.90 C ATOM 564 N ASN A 70 -17.492 15.616 7.077 1.00 19.31 N ATOM 565 CA ASN A 70 -16.171 15.208 7.512 1.00 20.90 C ATOM 566 C ASN A 70 -15.895 15.613 8.956 1.00 20.79 C ATOM 567 O ASN A 70 -15.356 14.811 9.735 1.00 22.70 O ATOM 568 CB ASN A 70 -15.065 15.705 6.544 1.00 21.24 C ATOM 569 CG ASN A 70 -15.108 14.949 5.199 1.00 27.56 C ATOM 570 OD1 ASN A 70 -15.742 13.881 5.072 1.00 32.21 O ATOM 571 ND2 ASN A 70 -14.457 15.500 4.189 1.00 30.22 N ATOM 572 N ARG A 71 -16.312 16.814 9.359 1.00 19.87 N ATOM 573 CA ARG A 71 -16.075 17.242 10.747 1.00 20.61 C ATOM 574 C ARG A 71 -16.835 16.358 11.724 1.00 22.77 C ATOM 575 O ARG A 71 -16.324 15.980 12.781 1.00 22.73 O ATOM 576 CB ARG A 71 -16.431 18.735 10.937 1.00 21.88 C ATOM 577 CG ARG A 71 -16.300 19.229 12.374 1.00 29.77 C ATOM 578 CD ARG A 71 -15.477 20.489 12.540 1.00 37.79 C ATOM 579 NE ARG A 71 -15.222 20.661 13.977 1.00 36.71 N ATOM 580 CZ ARG A 71 -15.742 21.618 14.763 1.00 44.91 C ATOM 581 NH1 ARG A 71 -16.537 22.578 14.276 1.00 41.64 N ATOM 582 NH2 ARG A 71 -15.439 21.624 16.059 1.00 41.52 N ATOM 583 N PHE A 72 -18.057 16.032 11.344 1.00 21.00 N ATOM 584 CA PHE A 72 -18.941 15.230 12.205 1.00 18.90 C ATOM 585 C PHE A 72 -18.328 13.841 12.443 1.00 22.29 C ATOM 586 O PHE A 72 -18.182 13.387 13.588 1.00 20.98 O ATOM 587 CB PHE A 72 -20.301 15.043 11.505 1.00 20.53 C ATOM 588 CG PHE A 72 -21.298 14.185 12.300 1.00 20.24 C ATOM 589 CD1 PHE A 72 -21.447 12.851 12.005 1.00 22.75 C ATOM 590 CD2 PHE A 72 -22.053 14.755 13.311 1.00 24.91 C ATOM 591 CE1 PHE A 72 -22.352 12.085 12.712 1.00 23.36 C ATOM 592 CE2 PHE A 72 -22.988 13.988 14.022 1.00 23.89 C ATOM 593 CZ PHE A 72 -23.118 12.681 13.709 1.00 24.62 C ATOM 594 N ILE A 73 -18.005 13.162 11.355 1.00 21.97 N ATOM 595 CA ILE A 73 -17.641 11.753 11.425 1.00 24.07 C ATOM 596 C ILE A 73 -16.237 11.569 12.016 1.00 25.12 C ATOM 597 O ILE A 73 -15.956 10.542 12.609 1.00 26.31 O ATOM 598 CB ILE A 73 -17.859 11.014 10.050 1.00 23.71 C ATOM 599 CG1 ILE A 73 -18.084 9.502 10.246 1.00 26.45 C ATOM 600 CG2 ILE A 73 -16.722 11.308 9.079 1.00 23.36 C ATOM 601 CD1 ILE A 73 -19.271 9.176 11.103 1.00 26.25 C ATOM 602 N THR A 74 -15.381 12.581 11.903 1.00 23.56 N ATOM 603 CA THR A 74 -14.028 12.489 12.477 1.00 25.31 C ATOM 604 C THR A 74 -13.975 12.952 13.925 1.00 26.64 C ATOM 605 O THR A 74 -12.943 12.792 14.577 1.00 28.67 O ATOM 606 CB THR A 74 -12.960 13.215 11.624 1.00 27.01 C ATOM 607 OG1 THR A 74 -13.222 14.623 11.595 1.00 26.42 O ATOM 608 CG2 THR A 74 -12.933 12.660 10.220 1.00 29.46 C ATOM 609 N HIS A 75 -15.047 13.560 14.420 1.00 25.36 N ATOM 610 CA HIS A 75 -15.096 13.983 15.814 1.00 26.24 C ATOM 611 C HIS A 75 -16.000 13.142 16.732 1.00 28.00 C ATOM 612 O HIS A 75 -15.848 13.164 17.956 1.00 29.89 O ATOM 613 CB HIS A 75 -15.453 15.458 15.911 1.00 27.93 C ATOM 614 CG HIS A 75 -14.347 16.370 15.468 1.00 28.64 C ATOM 615 ND1 HIS A 75 -13.961 16.500 14.150 1.00 32.38 N ATOM 616 CD2 HIS A 75 -13.540 17.205 16.176 1.00 34.64 C ATOM 617 CE1 HIS A 75 -12.961 17.359 14.063 1.00 34.78 C ATOM 618 NE2 HIS A 75 -12.696 17.809 15.276 1.00 32.81 N ATOM 619 N THR A 76 -16.907 12.359 16.157 1.00 26.30 N ATOM 620 CA THR A 76 -17.880 11.620 16.962 1.00 27.13 C ATOM 621 C THR A 76 -17.250 10.409 17.633 1.00 26.90 C ATOM 622 O THR A 76 -16.449 9.707 17.013 1.00 28.14 O ATOM 623 CB THR A 76 -19.076 11.135 16.092 1.00 28.49 C ATOM 624 OG1 THR A 76 -20.061 10.523 16.950 1.00 28.96 O ATOM 625 CG2 THR A 76 -18.603 10.114 15.060 1.00 27.72 C ATOM 626 N GLU A 77 -17.676 10.144 18.867 1.00 26.93 N ATOM 627 CA GLU A 77 -17.318 8.928 19.620 1.00 28.20 C ATOM 628 C GLU A 77 -18.502 7.968 19.798 1.00 27.29 C ATOM 629 O GLU A 77 -18.374 6.873 20.395 1.00 28.41 O ATOM 630 CB GLU A 77 -16.735 9.319 20.981 1.00 29.57 C ATOM 631 CG GLU A 77 -15.461 10.156 20.822 1.00 37.38 C ATOM 632 CD GLU A 77 -14.738 10.375 22.127 1.00 46.46 C ATOM 633 OE1 GLU A 77 -14.343 9.372 22.761 1.00 51.91 O ATOM 634 OE2 GLU A 77 -14.555 11.549 22.512 1.00 52.73 O ATOM 635 N HIS A 78 -19.666 8.396 19.310 1.00 25.87 N ATOM 636 CA HIS A 78 -20.896 7.587 19.342 1.00 25.44 C ATOM 637 C HIS A 78 -21.824 8.127 18.277 1.00 23.25 C ATOM 638 O HIS A 78 -22.660 8.993 18.503 1.00 21.14 O ATOM 639 CB HIS A 78 -21.560 7.578 20.702 1.00 28.01 C ATOM 640 CG HIS A 78 -21.303 8.800 21.510 1.00 33.91 C ATOM 641 ND1 HIS A 78 -21.681 10.062 21.099 1.00 38.94 N ATOM 642 CD2 HIS A 78 -20.695 8.962 22.711 1.00 36.21 C ATOM 643 CE1 HIS A 78 -21.322 10.948 22.015 1.00 37.58 C ATOM 644 NE2 HIS A 78 -20.722 10.304 23.002 1.00 36.50 N ATOM 645 N VAL A 79 -21.650 7.546 17.108 1.00 22.42 N ATOM 646 CA VAL A 79 -22.176 8.100 15.883 1.00 22.78 C ATOM 647 C VAL A 79 -23.694 8.218 15.943 1.00 22.39 C ATOM 648 O VAL A 79 -24.271 9.222 15.534 1.00 22.77 O ATOM 649 CB VAL A 79 -21.819 7.180 14.693 1.00 25.18 C ATOM 650 CG1 VAL A 79 -22.474 7.677 13.457 1.00 30.94 C ATOM 651 CG2 VAL A 79 -20.284 7.106 14.483 1.00 27.39 C ATOM 652 N ASP A 80 -24.376 7.159 16.395 1.00 19.25 N ATOM 653 CA ASP A 80 -25.820 7.243 16.322 1.00 18.68 C ATOM 654 C ASP A 80 -26.401 8.292 17.232 1.00 20.50 C ATOM 655 O ASP A 80 -27.272 9.067 16.789 1.00 21.67 O ATOM 656 CB ASP A 80 -26.502 5.865 16.512 1.00 17.39 C ATOM 657 CG ASP A 80 -25.992 5.059 17.703 1.00 19.01 C ATOM 658 OD1 ASP A 80 -25.093 5.468 18.450 1.00 18.48 O ATOM 659 OD2 ASP A 80 -26.564 3.958 17.890 1.00 18.17 O ATOM 660 N LEU A 81 -25.893 8.353 18.462 1.00 21.19 N ATOM 661 CA LEU A 81 -26.354 9.391 19.400 1.00 22.09 C ATOM 662 C LEU A 81 -26.169 10.806 18.850 1.00 22.98 C ATOM 663 O LEU A 81 -27.023 11.702 19.003 1.00 25.59 O ATOM 664 CB LEU A 81 -25.549 9.296 20.706 1.00 22.67 C ATOM 665 CG LEU A 81 -25.673 7.985 21.473 1.00 27.31 C ATOM 666 CD1 LEU A 81 -25.042 8.141 22.866 1.00 29.28 C ATOM 667 CD2 LEU A 81 -27.115 7.601 21.629 1.00 30.22 C ATOM 668 N ASP A 82 -25.048 10.995 18.196 1.00 21.47 N ATOM 669 CA ASP A 82 -24.658 12.364 17.767 1.00 23.64 C ATOM 670 C ASP A 82 -25.585 12.906 16.673 1.00 24.33 C ATOM 671 O ASP A 82 -25.741 14.137 16.555 1.00 24.94 O ATOM 672 CB ASP A 82 -23.187 12.383 17.400 1.00 23.12 C ATOM 673 CG ASP A 82 -22.276 12.274 18.654 1.00 27.93 C ATOM 674 OD1 ASP A 82 -22.796 12.360 19.792 1.00 30.30 O ATOM 675 OD2 ASP A 82 -21.055 12.074 18.468 1.00 35.23 O ATOM 676 N PHE A 83 -26.224 12.021 15.897 1.00 24.05 N ATOM 677 CA PHE A 83 -27.178 12.443 14.858 1.00 23.70 C ATOM 678 C PHE A 83 -28.348 13.156 15.490 1.00 26.52 C ATOM 679 O PHE A 83 -28.847 14.153 14.963 1.00 26.80 O ATOM 680 CB PHE A 83 -27.682 11.248 14.021 1.00 22.90 C ATOM 681 CG PHE A 83 -26.902 10.997 12.762 1.00 21.92 C ATOM 682 CD1 PHE A 83 -25.823 10.080 12.705 1.00 25.94 C ATOM 683 CD2 PHE A 83 -27.226 11.679 11.558 1.00 22.52 C ATOM 684 CE1 PHE A 83 -25.107 9.888 11.550 1.00 23.13 C ATOM 685 CE2 PHE A 83 -26.512 11.413 10.370 1.00 20.61 C ATOM 686 CZ PHE A 83 -25.439 10.539 10.360 1.00 26.27 C ATOM 687 N ASN A 84 -28.786 12.633 16.641 1.00 27.02 N ATOM 688 CA ASN A 84 -29.862 13.215 17.375 1.00 31.03 C ATOM 689 C ASN A 84 -29.610 14.683 17.810 1.00 29.04 C ATOM 690 O ASN A 84 -30.499 15.541 17.783 1.00 31.72 O ATOM 691 CB ASN A 84 -30.034 12.308 18.588 1.00 33.52 C ATOM 692 CG ASN A 84 -31.444 11.961 18.861 1.00 35.67 C ATOM 693 OD1 ASN A 84 -32.205 11.566 17.982 1.00 38.85 O ATOM 694 ND2 ASN A 84 -31.812 12.073 20.112 1.00 41.28 N ATOM 695 N SER A 85 -28.375 14.993 18.212 1.00 31.75 N ATOM 696 CA SER A 85 -28.012 16.346 18.619 1.00 32.01 C ATOM 697 C SER A 85 -28.108 17.386 17.469 1.00 29.80 C ATOM 698 O SER A 85 -28.632 18.499 17.623 1.00 33.02 O ATOM 699 CB SER A 85 -26.598 16.331 19.206 1.00 33.41 C ATOM 700 OG SER A 85 -26.433 15.213 20.087 1.00 37.87 O ATOM 701 N VAL A 86 -27.631 16.987 16.284 1.00 28.49 N ATOM 702 CA VAL A 86 -27.750 17.820 15.101 1.00 26.24 C ATOM 703 C VAL A 86 -29.217 18.088 14.771 1.00 23.23 C ATOM 704 O VAL A 86 -29.628 19.236 14.581 1.00 24.28 O ATOM 705 CB VAL A 86 -27.063 17.137 13.909 1.00 25.16 C ATOM 706 CG1 VAL A 86 -27.240 17.994 12.662 1.00 24.50 C ATOM 707 CG2 VAL A 86 -25.566 16.952 14.203 1.00 26.22 C ATOM 708 N PHE A 87 -30.006 16.991 14.782 1.00 23.79 N ATOM 709 CA PHE A 87 -31.411 17.081 14.502 1.00 23.18 C ATOM 710 C PHE A 87 -32.140 18.129 15.409 1.00 21.04 C ATOM 711 O PHE A 87 -32.829 19.050 14.932 1.00 24.08 O ATOM 712 CB PHE A 87 -32.087 15.703 14.557 1.00 20.80 C ATOM 713 CG PHE A 87 -33.536 15.770 14.240 1.00 23.20 C ATOM 714 CD1 PHE A 87 -33.972 15.578 12.941 1.00 24.02 C ATOM 715 CD2 PHE A 87 -34.470 16.053 15.233 1.00 22.37 C ATOM 716 CE1 PHE A 87 -35.323 15.670 12.634 1.00 22.52 C ATOM 717 CE2 PHE A 87 -35.823 16.155 14.940 1.00 22.66 C ATOM 718 CZ PHE A 87 -36.250 15.972 13.613 1.00 22.39 C ATOM 719 N LEU A 88 -31.988 17.958 16.726 1.00 23.69 N ATOM 720 CA LEU A 88 -32.705 18.860 17.640 1.00 24.28 C ATOM 721 C LEU A 88 -32.341 20.338 17.524 1.00 24.14 C ATOM 722 O LEU A 88 -33.216 21.215 17.584 1.00 25.07 O ATOM 723 CB LEU A 88 -32.537 18.392 19.084 1.00 24.69 C ATOM 724 CG LEU A 88 -33.144 17.032 19.426 1.00 24.13 C ATOM 725 CD1 LEU A 88 -32.655 16.562 20.758 1.00 26.43 C ATOM 726 CD2 LEU A 88 -34.655 17.067 19.402 1.00 29.46 C ATOM 727 N GLU A 89 -31.064 20.590 17.276 1.00 26.43 N ATOM 728 CA GLU A 89 -30.595 21.946 17.037 1.00 27.67 C ATOM 729 C GLU A 89 -31.104 22.607 15.742 1.00 26.27 C ATOM 730 O GLU A 89 -31.094 23.806 15.617 1.00 25.95 O ATOM 731 CB GLU A 89 -29.059 22.013 17.092 1.00 30.34 C ATOM 732 CG GLU A 89 -28.491 21.887 18.504 1.00 30.95 C ATOM 733 CD GLU A 89 -28.815 23.073 19.437 1.00 29.97 C ATOM 734 OE1 GLU A 89 -29.463 24.065 19.005 1.00 30.37 O ATOM 735 OE2 GLU A 89 -28.417 22.998 20.626 1.00 28.95 O ATOM 736 N ILE A 90 -31.543 21.812 14.762 1.00 25.39 N ATOM 737 CA ILE A 90 -32.127 22.369 13.556 1.00 25.91 C ATOM 738 C ILE A 90 -33.612 22.640 13.820 1.00 27.17 C ATOM 739 O ILE A 90 -34.102 23.720 13.489 1.00 30.92 O ATOM 740 CB ILE A 90 -31.951 21.366 12.340 1.00 25.62 C ATOM 741 CG1 ILE A 90 -30.473 21.048 12.057 1.00 24.35 C ATOM 742 CG2 ILE A 90 -32.691 21.832 11.097 1.00 25.18 C ATOM 743 CD1 ILE A 90 -30.265 19.868 11.023 1.00 27.44 C ATOM 744 N PHE A 91 -34.328 21.667 14.403 1.00 27.09 N ATOM 745 CA PHE A 91 -35.807 21.677 14.411 1.00 27.63 C ATOM 746 C PHE A 91 -36.529 22.186 15.635 1.00 29.60 C ATOM 747 O PHE A 91 -37.731 22.512 15.556 1.00 30.75 O ATOM 748 CB PHE A 91 -36.372 20.319 14.031 1.00 27.70 C ATOM 749 CG PHE A 91 -36.039 19.957 12.637 1.00 24.90 C ATOM 750 CD1 PHE A 91 -36.655 20.627 11.574 1.00 26.33 C ATOM 751 CD2 PHE A 91 -35.043 19.022 12.376 1.00 23.51 C ATOM 752 CE1 PHE A 91 -36.301 20.332 10.279 1.00 25.98 C ATOM 753 CE2 PHE A 91 -34.672 18.722 11.063 1.00 25.03 C ATOM 754 CZ PHE A 91 -35.302 19.368 10.023 1.00 27.21 C ATOM 755 N HIS A 92 -35.830 22.240 16.756 1.00 30.71 N ATOM 756 CA HIS A 92 -36.409 22.895 17.930 1.00 32.25 C ATOM 757 C HIS A 92 -35.829 24.302 18.208 1.00 33.87 C ATOM 758 O HIS A 92 -35.984 24.861 19.301 1.00 34.77 O ATOM 759 CB HIS A 92 -36.317 21.984 19.141 1.00 33.22 C ATOM 760 CG HIS A 92 -37.190 20.766 19.043 1.00 33.61 C ATOM 761 ND1 HIS A 92 -38.642 21.069 19.316 0.00 37.90 N ATOM 762 CD2 HIS A 92 -37.449 19.927 18.009 1.00 38.92 C ATOM 763 CE1 HIS A 92 -39.267 19.948 18.999 0.00 34.42 C ATOM 764 NE2 HIS A 92 -38.406 19.145 18.404 0.00 28.42 N ATOM 765 N ARG A 93 -35.206 24.880 17.192 1.00 35.27 N ATOM 766 CA ARG A 93 -34.645 26.228 17.270 1.00 37.27 C ATOM 767 C ARG A 93 -35.437 27.161 16.342 1.00 39.84 C ATOM 768 O ARG A 93 -34.908 27.673 15.345 1.00 40.52 O ATOM 769 CB ARG A 93 -33.149 26.203 16.910 1.00 36.24 C ATOM 770 CG ARG A 93 -32.278 25.458 17.935 1.00 31.47 C ATOM 771 CD ARG A 93 -32.064 26.307 19.204 1.00 32.17 C ATOM 772 NE ARG A 93 -31.522 27.637 18.881 1.00 34.99 N ATOM 773 CZ ARG A 93 -30.223 27.924 18.741 1.00 34.25 C ATOM 774 NH1 ARG A 93 -29.291 26.976 18.916 1.00 31.72 N ATOM 775 NH2 ARG A 93 -29.856 29.174 18.434 1.00 32.10 N ATOM 776 N GLY A 94 -36.699 27.398 16.707 1.00 42.24 N ATOM 777 CA GLY A 94 -37.685 27.976 15.787 1.00 45.34 C ATOM 778 C GLY A 94 -38.574 26.880 15.208 1.00 47.45 C ATOM 779 O GLY A 94 -38.249 25.689 15.310 1.00 48.89 O ATOM 780 N ASP A 95 -39.702 27.256 14.606 1.00 48.73 N ATOM 781 CA ASP A 95 -40.603 26.263 14.000 1.00 48.81 C ATOM 782 C ASP A 95 -39.901 25.481 12.855 1.00 48.36 C ATOM 783 O ASP A 95 -38.995 26.016 12.198 1.00 49.23 O ATOM 784 CB ASP A 95 -41.879 26.953 13.500 1.00 49.13 C ATOM 785 CG ASP A 95 -42.216 27.361 14.847 0.00 48.28 C ATOM 786 OD1 ASP A 95 -41.968 27.521 16.044 0.00 50.57 O ATOM 787 OD2 ASP A 95 -43.369 27.522 14.426 0.00 49.93 O ATOM 788 N PRO A 96 -40.294 24.211 12.625 1.00 46.54 N ATOM 789 CA PRO A 96 -39.737 23.537 11.451 1.00 45.26 C ATOM 790 C PRO A 96 -40.289 24.169 10.174 1.00 43.30 C ATOM 791 O PRO A 96 -41.386 24.741 10.192 1.00 44.33 O ATOM 792 CB PRO A 96 -40.242 22.096 11.593 1.00 45.19 C ATOM 793 CG PRO A 96 -40.726 21.973 13.015 1.00 45.09 C ATOM 794 CD PRO A 96 -41.211 23.337 13.375 1.00 46.75 C ATOM 795 N SER A 97 -39.522 24.092 9.091 1.00 39.60 N ATOM 796 CA SER A 97 -39.937 24.608 7.798 1.00 36.97 C ATOM 797 C SER A 97 -39.569 23.590 6.729 1.00 35.17 C ATOM 798 O SER A 97 -38.765 22.681 6.973 1.00 34.19 O ATOM 799 CB SER A 97 -39.258 25.949 7.510 1.00 37.25 C ATOM 800 OG SER A 97 -37.862 25.791 7.286 1.00 38.53 O ATOM 801 N LEU A 98 -40.149 23.737 5.544 1.00 32.88 N ATOM 802 CA LEU A 98 -39.871 22.830 4.443 1.00 31.00 C ATOM 803 C LEU A 98 -38.388 22.802 4.114 1.00 28.65 C ATOM 804 O LEU A 98 -37.809 21.739 3.938 1.00 27.97 O ATOM 805 CB LEU A 98 -40.663 23.223 3.194 1.00 32.77 C ATOM 806 CG LEU A 98 -40.390 22.384 1.941 1.00 32.97 C ATOM 807 CD1 LEU A 98 -41.062 21.009 1.990 1.00 38.17 C ATOM 808 CD2 LEU A 98 -40.836 23.163 0.719 1.00 39.11 C ATOM 809 N GLY A 99 -37.791 23.981 4.023 1.00 27.40 N ATOM 810 CA GLY A 99 -36.385 24.123 3.699 1.00 23.33 C ATOM 811 C GLY A 99 -35.488 23.415 4.705 1.00 21.93 C ATOM 812 O GLY A 99 -34.523 22.758 4.305 1.00 23.02 O ATOM 813 N ARG A 100 -35.765 23.594 5.991 1.00 23.36 N ATOM 814 CA ARG A 100 -34.935 22.966 6.991 1.00 22.28 C ATOM 815 C ARG A 100 -35.101 21.455 6.925 1.00 21.75 C ATOM 816 O ARG A 100 -34.102 20.713 7.064 1.00 21.92 O ATOM 817 CB ARG A 100 -35.232 23.486 8.391 1.00 23.93 C ATOM 818 CG ARG A 100 -34.683 24.889 8.619 1.00 27.50 C ATOM 819 CD ARG A 100 -34.949 25.315 10.043 1.00 29.55 C ATOM 820 NE ARG A 100 -34.621 26.723 10.204 1.00 32.62 N ATOM 821 CZ ARG A 100 -34.591 27.362 11.368 1.00 29.58 C ATOM 822 NH1 ARG A 100 -34.863 26.729 12.497 1.00 32.94 N ATOM 823 NH2 ARG A 100 -34.283 28.649 11.376 1.00 32.81 N ATOM 824 N ALA A 101 -36.339 21.008 6.703 1.00 21.73 N ATOM 825 CA ALA A 101 -36.590 19.573 6.575 1.00 21.69 C ATOM 826 C ALA A 101 -35.832 18.981 5.392 1.00 20.81 C ATOM 827 O ALA A 101 -35.166 17.964 5.542 1.00 20.85 O ATOM 828 CB ALA A 101 -38.052 19.280 6.478 1.00 24.40 C ATOM 829 N LEU A 102 -35.874 19.638 4.238 1.00 21.45 N ATOM 830 CA LEU A 102 -35.138 19.155 3.096 1.00 19.78 C ATOM 831 C LEU A 102 -33.629 19.255 3.306 1.00 18.37 C ATOM 832 O LEU A 102 -32.898 18.388 2.825 1.00 19.94 O ATOM 833 CB LEU A 102 -35.559 19.908 1.821 1.00 20.22 C ATOM 834 CG LEU A 102 -37.009 19.653 1.420 1.00 22.36 C ATOM 835 CD1 LEU A 102 -37.281 20.522 0.177 1.00 29.39 C ATOM 836 CD2 LEU A 102 -37.283 18.216 1.100 1.00 25.96 C ATOM 837 N ALA A 103 -33.150 20.331 3.963 1.00 19.04 N ATOM 838 CA ALA A 103 -31.721 20.479 4.204 1.00 19.66 C ATOM 839 C ALA A 103 -31.234 19.269 5.036 1.00 19.02 C ATOM 840 O ALA A 103 -30.201 18.688 4.731 1.00 20.06 O ATOM 841 CB ALA A 103 -31.438 21.766 4.938 1.00 22.22 C ATOM 842 N TRP A 104 -31.988 18.927 6.075 1.00 19.25 N ATOM 843 CA TRP A 104 -31.643 17.764 6.899 1.00 18.82 C ATOM 844 C TRP A 104 -31.647 16.444 6.076 1.00 16.70 C ATOM 845 O TRP A 104 -30.701 15.622 6.148 1.00 18.41 O ATOM 846 CB TRP A 104 -32.651 17.644 8.047 1.00 18.73 C ATOM 847 CG TRP A 104 -32.604 16.318 8.742 1.00 16.74 C ATOM 848 CD1 TRP A 104 -33.517 15.342 8.637 1.00 17.85 C ATOM 849 CD2 TRP A 104 -31.606 15.871 9.674 1.00 20.09 C ATOM 850 NE1 TRP A 104 -33.140 14.238 9.440 1.00 20.32 N ATOM 851 CE2 TRP A 104 -31.971 14.564 10.085 1.00 19.32 C ATOM 852 CE3 TRP A 104 -30.401 16.429 10.156 1.00 19.85 C ATOM 853 CZ2 TRP A 104 -31.177 13.827 11.023 1.00 20.53 C ATOM 854 CZ3 TRP A 104 -29.618 15.694 11.057 1.00 22.31 C ATOM 855 CH2 TRP A 104 -30.003 14.428 11.447 1.00 20.53 C ATOM 856 N MET A 105 -32.705 16.231 5.283 1.00 16.67 N ATOM 857 CA MET A 105 -32.800 14.990 4.526 1.00 16.92 C ATOM 858 C MET A 105 -31.662 14.881 3.500 1.00 16.57 C ATOM 859 O MET A 105 -31.096 13.822 3.314 1.00 17.27 O ATOM 860 CB MET A 105 -34.158 14.875 3.835 1.00 18.54 C ATOM 861 CG MET A 105 -35.359 14.928 4.820 1.00 19.47 C ATOM 862 SD MET A 105 -35.602 13.397 5.643 1.00 22.41 S ATOM 863 CE MET A 105 -36.525 12.624 4.326 1.00 20.92 C ATOM 864 N ALA A 106 -31.355 16.019 2.858 1.00 16.05 N ATOM 865 CA ALA A 106 -30.260 16.027 1.891 1.00 17.16 C ATOM 866 C ALA A 106 -28.924 15.747 2.561 1.00 15.85 C ATOM 867 O ALA A 106 -28.097 15.017 2.030 1.00 17.73 O ATOM 868 CB ALA A 106 -30.206 17.409 1.200 1.00 16.08 C ATOM 869 N TRP A 107 -28.696 16.349 3.742 1.00 16.76 N ATOM 870 CA TRP A 107 -27.458 16.078 4.478 1.00 17.87 C ATOM 871 C TRP A 107 -27.333 14.601 4.863 1.00 17.09 C ATOM 872 O TRP A 107 -26.260 13.994 4.740 1.00 18.29 O ATOM 873 CB TRP A 107 -27.384 16.998 5.702 1.00 19.05 C ATOM 874 CG TRP A 107 -26.063 17.026 6.356 1.00 18.83 C ATOM 875 CD1 TRP A 107 -24.942 17.738 5.947 1.00 18.66 C ATOM 876 CD2 TRP A 107 -25.701 16.359 7.559 1.00 18.09 C ATOM 877 NE1 TRP A 107 -23.904 17.492 6.806 1.00 18.00 N ATOM 878 CE2 TRP A 107 -24.343 16.672 7.820 1.00 17.78 C ATOM 879 CE3 TRP A 107 -26.393 15.517 8.454 1.00 18.44 C ATOM 880 CZ2 TRP A 107 -23.657 16.180 8.933 1.00 19.49 C ATOM 881 CZ3 TRP A 107 -25.691 15.014 9.576 1.00 20.71 C ATOM 882 CH2 TRP A 107 -24.340 15.366 9.802 1.00 19.41 C ATOM 883 N CYS A 108 -28.454 14.025 5.297 1.00 16.39 N ATOM 884 CA CYS A 108 -28.430 12.600 5.633 1.00 15.56 C ATOM 885 C CYS A 108 -28.145 11.735 4.389 1.00 14.78 C ATOM 886 O CYS A 108 -27.343 10.784 4.437 1.00 16.29 O ATOM 887 CB CYS A 108 -29.760 12.160 6.281 1.00 16.94 C ATOM 888 SG CYS A 108 -29.912 12.818 7.975 1.00 18.08 S ATOM 889 N MET A 109 -28.854 12.065 3.290 1.00 15.85 N ATOM 890 CA MET A 109 -28.612 11.249 2.073 1.00 17.01 C ATOM 891 C MET A 109 -27.168 11.401 1.599 1.00 15.99 C ATOM 892 O MET A 109 -26.527 10.428 1.182 1.00 17.44 O ATOM 893 CB MET A 109 -29.601 11.650 0.984 1.00 18.64 C ATOM 894 CG MET A 109 -29.539 10.738 -0.213 1.00 16.97 C ATOM 895 SD MET A 109 -30.747 11.196 -1.518 1.00 19.36 S ATOM 896 CE MET A 109 -29.865 12.565 -2.315 1.00 19.91 C ATOM 897 N HIS A 110 -26.625 12.615 1.671 1.00 16.30 N ATOM 898 CA HIS A 110 -25.232 12.790 1.293 1.00 16.97 C ATOM 899 C HIS A 110 -24.279 11.994 2.216 1.00 16.27 C ATOM 900 O HIS A 110 -23.298 11.407 1.758 1.00 17.74 O ATOM 901 CB HIS A 110 -24.860 14.278 1.350 1.00 16.94 C ATOM 902 CG HIS A 110 -23.387 14.527 1.383 1.00 19.36 C ATOM 903 ND1 HIS A 110 -22.595 14.598 0.253 1.00 24.54 N ATOM 904 CD2 HIS A 110 -22.563 14.670 2.440 1.00 17.26 C ATOM 905 CE1 HIS A 110 -21.341 14.825 0.629 1.00 19.12 C ATOM 906 NE2 HIS A 110 -21.294 14.841 1.947 1.00 26.26 N ATOM 907 N ALA A 111 -24.583 11.955 3.527 1.00 15.86 N ATOM 908 CA ALA A 111 -23.740 11.192 4.450 1.00 16.56 C ATOM 909 C ALA A 111 -23.781 9.716 4.078 1.00 16.40 C ATOM 910 O ALA A 111 -22.756 9.068 4.029 1.00 16.68 O ATOM 911 CB ALA A 111 -24.224 11.406 5.895 1.00 17.05 C ATOM 912 N CYS A 112 -24.989 9.178 3.865 1.00 16.50 N ATOM 913 CA CYS A 112 -25.096 7.784 3.495 1.00 17.43 C ATOM 914 C CYS A 112 -24.355 7.473 2.198 1.00 18.36 C ATOM 915 O CYS A 112 -23.599 6.506 2.126 1.00 17.77 O ATOM 916 CB CYS A 112 -26.572 7.477 3.319 1.00 16.96 C ATOM 917 SG CYS A 112 -26.870 5.679 3.088 1.00 19.68 S ATOM 918 N ARG A 113 -24.482 8.353 1.208 1.00 17.11 N ATOM 919 CA ARG A 113 -23.758 8.158 -0.057 1.00 17.45 C ATOM 920 C ARG A 113 -22.232 8.130 0.189 1.00 18.51 C ATOM 921 O ARG A 113 -21.549 7.251 -0.323 1.00 18.99 O ATOM 922 CB ARG A 113 -24.051 9.371 -0.947 1.00 17.95 C ATOM 923 CG ARG A 113 -23.350 9.266 -2.322 1.00 21.86 C ATOM 924 CD ARG A 113 -23.398 10.626 -3.005 1.00 21.23 C ATOM 925 NE ARG A 113 -24.785 10.889 -3.396 1.00 21.90 N ATOM 926 CZ ARG A 113 -25.251 12.005 -3.943 1.00 24.71 C ATOM 927 NH1 ARG A 113 -26.525 12.046 -4.288 1.00 23.43 N ATOM 928 NH2 ARG A 113 -24.455 13.057 -4.153 1.00 25.73 N ATOM 929 N THR A 114 -21.724 9.057 0.993 1.00 18.32 N ATOM 930 CA THR A 114 -20.286 9.091 1.249 1.00 20.81 C ATOM 931 C THR A 114 -19.799 7.814 1.920 1.00 19.91 C ATOM 932 O THR A 114 -18.762 7.247 1.566 1.00 21.11 O ATOM 933 CB THR A 114 -19.933 10.319 2.083 1.00 21.62 C ATOM 934 OG1 THR A 114 -20.407 11.475 1.369 1.00 26.16 O ATOM 935 CG2 THR A 114 -18.417 10.405 2.308 1.00 24.13 C ATOM 936 N LEU A 115 -20.561 7.372 2.900 1.00 19.37 N ATOM 937 CA LEU A 115 -20.204 6.196 3.691 1.00 20.71 C ATOM 938 C LEU A 115 -20.248 4.959 2.822 1.00 22.17 C ATOM 939 O LEU A 115 -19.408 4.084 2.947 1.00 24.37 O ATOM 940 CB LEU A 115 -21.235 6.002 4.804 1.00 20.00 C ATOM 941 CG LEU A 115 -21.134 7.017 5.966 1.00 21.14 C ATOM 942 CD1 LEU A 115 -22.463 7.056 6.760 1.00 20.80 C ATOM 943 CD2 LEU A 115 -19.925 6.680 6.835 1.00 27.50 C ATOM 944 N CYS A 116 -21.238 4.870 1.954 1.00 22.84 N ATOM 945 CA CYS A 116 -21.394 3.642 1.157 1.00 26.15 C ATOM 946 C CYS A 116 -20.452 3.599 -0.054 1.00 29.23 C ATOM 947 O CYS A 116 -20.152 2.520 -0.540 1.00 31.09 O ATOM 948 CB CYS A 116 -22.827 3.500 0.701 1.00 25.33 C ATOM 949 SG CYS A 116 -23.952 3.119 2.025 1.00 26.75 S ATOM 950 N CYS A 117 -19.989 4.752 -0.536 1.00 31.40 N ATOM 951 CA ACYS A 117 -19.066 4.761 -1.672 0.50 33.51 C ATOM 952 CA BCYS A 117 -19.034 4.855 -1.676 0.50 33.42 C ATOM 953 C CYS A 117 -17.608 4.532 -1.264 1.00 34.72 C ATOM 954 O CYS A 117 -16.789 4.139 -2.093 1.00 35.81 O ATOM 955 CB ACYS A 117 -19.217 6.053 -2.465 0.50 33.03 C ATOM 956 CB BCYS A 117 -19.035 6.275 -2.283 0.50 32.54 C ATOM 957 SG ACYS A 117 -20.805 6.150 -3.323 0.50 35.52 S ATOM 958 SG BCYS A 117 -17.656 6.694 -3.473 0.50 35.12 S ATOM 959 N ASN A 118 -17.287 4.759 0.005 1.00 35.35 N ATOM 960 CA ASN A 118 -15.920 4.541 0.486 1.00 37.27 C ATOM 961 C ASN A 118 -15.769 3.093 0.952 1.00 38.04 C ATOM 962 O ASN A 118 -16.237 2.718 2.036 1.00 35.96 O ATOM 963 CB ASN A 118 -15.557 5.560 1.577 1.00 37.28 C ATOM 964 CG ASN A 118 -14.075 5.550 1.934 1.00 41.26 C ATOM 965 OD1 ASN A 118 -13.334 4.627 1.589 1.00 41.25 O ATOM 966 ND2 ASN A 118 -13.642 6.589 2.638 1.00 43.44 N ATOM 967 N GLN A 119 -15.124 2.290 0.103 1.00 38.44 N ATOM 968 CA GLN A 119 -14.901 0.861 0.351 1.00 40.12 C ATOM 969 C GLN A 119 -14.120 0.569 1.632 1.00 37.81 C ATOM 970 O GLN A 119 -14.220 -0.527 2.183 1.00 38.88 O ATOM 971 CB GLN A 119 -14.195 0.219 -0.848 1.00 40.35 C ATOM 972 CG GLN A 119 -15.117 -0.021 -2.046 1.00 44.21 C ATOM 973 CD GLN A 119 -14.370 -0.415 -3.314 1.00 44.45 C ATOM 974 OE1 GLN A 119 -13.278 -0.995 -3.259 1.00 53.34 O ATOM 975 NE2 GLN A 119 -14.964 -0.109 -4.471 1.00 51.81 N ATOM 976 N SER A 120 -13.371 1.558 2.111 1.00 35.88 N ATOM 977 CA SER A 120 -12.587 1.426 3.335 1.00 35.00 C ATOM 978 C SER A 120 -13.375 1.680 4.642 1.00 33.46 C ATOM 979 O SER A 120 -12.868 1.352 5.731 1.00 33.78 O ATOM 980 CB SER A 120 -11.384 2.364 3.293 1.00 36.01 C ATOM 981 OG SER A 120 -11.792 3.719 3.397 1.00 39.60 O ATOM 982 N THR A 121 -14.569 2.289 4.536 1.00 29.95 N ATOM 983 CA THR A 121 -15.372 2.633 5.709 1.00 27.17 C ATOM 984 C THR A 121 -15.687 1.374 6.515 1.00 24.04 C ATOM 985 O THR A 121 -16.246 0.437 5.977 1.00 24.09 O ATOM 986 CB THR A 121 -16.718 3.327 5.329 1.00 27.35 C ATOM 987 OG1 THR A 121 -16.478 4.381 4.390 1.00 31.12 O ATOM 988 CG2 THR A 121 -17.398 3.918 6.587 1.00 27.00 C ATOM 989 N PRO A 122 -15.348 1.367 7.819 1.00 24.20 N ATOM 990 CA PRO A 122 -15.736 0.195 8.609 1.00 22.85 C ATOM 991 C PRO A 122 -17.254 0.014 8.647 1.00 23.07 C ATOM 992 O PRO A 122 -18.009 1.004 8.712 1.00 20.46 O ATOM 993 CB PRO A 122 -15.189 0.510 10.009 1.00 23.56 C ATOM 994 CG PRO A 122 -14.186 1.607 9.817 1.00 26.39 C ATOM 995 CD PRO A 122 -14.691 2.391 8.641 1.00 22.67 C ATOM 996 N TYR A 123 -17.666 -1.245 8.607 1.00 20.55 N ATOM 997 CA TYR A 123 -19.083 -1.627 8.672 1.00 19.00 C ATOM 998 C TYR A 123 -19.796 -0.869 9.809 1.00 18.98 C ATOM 999 O TYR A 123 -20.869 -0.298 9.613 1.00 18.40 O ATOM 1000 CB TYR A 123 -19.217 -3.140 8.890 1.00 20.12 C ATOM 1001 CG TYR A 123 -20.617 -3.593 9.142 1.00 19.20 C ATOM 1002 CD1 TYR A 123 -21.487 -3.839 8.073 1.00 19.19 C ATOM 1003 CD2 TYR A 123 -21.098 -3.790 10.438 1.00 20.48 C ATOM 1004 CE1 TYR A 123 -22.782 -4.272 8.273 1.00 19.91 C ATOM 1005 CE2 TYR A 123 -22.418 -4.211 10.658 1.00 18.78 C ATOM 1006 CZ TYR A 123 -23.267 -4.440 9.585 1.00 16.32 C ATOM 1007 OH TYR A 123 -24.540 -4.875 9.737 1.00 19.49 O ATOM 1008 N TYR A 124 -19.223 -0.888 11.003 1.00 18.59 N ATOM 1009 CA TYR A 124 -19.973 -0.328 12.139 1.00 17.81 C ATOM 1010 C TYR A 124 -20.232 1.164 11.943 1.00 18.33 C ATOM 1011 O TYR A 124 -21.230 1.689 12.447 1.00 18.81 O ATOM 1012 CB TYR A 124 -19.222 -0.560 13.474 1.00 19.10 C ATOM 1013 CG TYR A 124 -18.066 0.377 13.742 1.00 19.70 C ATOM 1014 CD1 TYR A 124 -16.756 -0.020 13.463 1.00 21.43 C ATOM 1015 CD2 TYR A 124 -18.262 1.625 14.339 1.00 20.96 C ATOM 1016 CE1 TYR A 124 -15.698 0.839 13.733 1.00 22.60 C ATOM 1017 CE2 TYR A 124 -17.207 2.497 14.613 1.00 25.30 C ATOM 1018 CZ TYR A 124 -15.941 2.109 14.293 1.00 22.84 C ATOM 1019 OH TYR A 124 -14.901 2.964 14.582 1.00 29.08 O ATOM 1020 N VAL A 125 -19.365 1.875 11.216 1.00 17.14 N ATOM 1021 CA VAL A 125 -19.556 3.322 11.045 1.00 16.31 C ATOM 1022 C VAL A 125 -20.733 3.554 10.081 1.00 17.22 C ATOM 1023 O VAL A 125 -21.613 4.415 10.312 1.00 17.40 O ATOM 1024 CB VAL A 125 -18.293 4.007 10.478 1.00 18.97 C ATOM 1025 CG1 VAL A 125 -18.567 5.458 10.133 1.00 21.05 C ATOM 1026 CG2 VAL A 125 -17.203 3.935 11.513 1.00 19.62 C ATOM 1027 N VAL A 126 -20.792 2.778 9.011 1.00 17.76 N ATOM 1028 CA VAL A 126 -21.971 2.845 8.121 1.00 16.97 C ATOM 1029 C VAL A 126 -23.260 2.477 8.877 1.00 15.41 C ATOM 1030 O VAL A 126 -24.282 3.162 8.761 1.00 16.60 O ATOM 1031 CB VAL A 126 -21.803 1.901 6.908 1.00 18.95 C ATOM 1032 CG1 VAL A 126 -22.985 2.083 5.899 1.00 19.56 C ATOM 1033 CG2 VAL A 126 -20.448 2.090 6.211 1.00 19.40 C ATOM 1034 N ASP A 127 -23.195 1.398 9.651 1.00 16.57 N ATOM 1035 CA ASP A 127 -24.367 0.853 10.338 1.00 15.55 C ATOM 1036 C ASP A 127 -24.898 1.881 11.323 1.00 17.39 C ATOM 1037 O ASP A 127 -26.058 2.283 11.245 1.00 17.53 O ATOM 1038 CB ASP A 127 -23.932 -0.472 10.999 1.00 16.28 C ATOM 1039 CG ASP A 127 -25.071 -1.244 11.578 1.00 19.42 C ATOM 1040 OD1 ASP A 127 -26.004 -0.634 12.088 1.00 20.31 O ATOM 1041 OD2 ASP A 127 -24.983 -2.485 11.554 1.00 20.63 O ATOM 1042 N LEU A 128 -24.049 2.370 12.217 1.00 15.66 N ATOM 1043 CA LEU A 128 -24.522 3.310 13.243 1.00 15.68 C ATOM 1044 C LEU A 128 -24.957 4.638 12.625 1.00 16.51 C ATOM 1045 O LEU A 128 -25.860 5.279 13.154 1.00 17.50 O ATOM 1046 CB LEU A 128 -23.481 3.521 14.350 1.00 18.12 C ATOM 1047 CG LEU A 128 -23.284 2.225 15.169 1.00 20.28 C ATOM 1048 CD1 LEU A 128 -22.275 2.491 16.260 1.00 27.53 C ATOM 1049 CD2 LEU A 128 -24.631 1.760 15.748 1.00 26.01 C ATOM 1050 N SER A 129 -24.349 5.042 11.500 1.00 16.50 N ATOM 1051 CA SER A 129 -24.755 6.307 10.879 1.00 16.61 C ATOM 1052 C SER A 129 -26.142 6.152 10.267 1.00 16.49 C ATOM 1053 O SER A 129 -26.987 7.068 10.393 1.00 17.70 O ATOM 1054 CB SER A 129 -23.780 6.696 9.784 1.00 17.02 C ATOM 1055 OG SER A 129 -22.517 7.031 10.315 1.00 17.04 O ATOM 1056 N VAL A 130 -26.377 5.063 9.529 1.00 15.17 N ATOM 1057 CA VAL A 130 -27.695 4.925 8.910 1.00 17.08 C ATOM 1058 C VAL A 130 -28.746 4.761 10.004 1.00 17.06 C ATOM 1059 O VAL A 130 -29.810 5.394 9.957 1.00 17.59 O ATOM 1060 CB VAL A 130 -27.719 3.754 7.941 1.00 18.00 C ATOM 1061 CG1 VAL A 130 -29.137 3.375 7.527 1.00 20.21 C ATOM 1062 CG2 VAL A 130 -26.814 4.081 6.698 1.00 19.13 C ATOM 1063 N ARG A 131 -28.463 3.947 11.023 1.00 15.50 N ATOM 1064 CA ARG A 131 -29.455 3.852 12.106 1.00 15.99 C ATOM 1065 C ARG A 131 -29.689 5.216 12.735 1.00 16.25 C ATOM 1066 O ARG A 131 -30.860 5.601 13.053 1.00 16.78 O ATOM 1067 CB ARG A 131 -28.982 2.844 13.145 1.00 17.12 C ATOM 1068 CG ARG A 131 -28.944 1.455 12.585 1.00 16.86 C ATOM 1069 CD ARG A 131 -28.429 0.539 13.681 1.00 17.63 C ATOM 1070 NE ARG A 131 -28.413 -0.913 13.414 1.00 16.07 N ATOM 1071 CZ ARG A 131 -29.419 -1.735 13.657 1.00 16.02 C ATOM 1072 NH1 ARG A 131 -30.583 -1.259 14.076 1.00 17.80 N ATOM 1073 NH2 ARG A 131 -29.220 -3.042 13.513 1.00 16.70 N ATOM 1074 N GLY A 132 -28.597 5.960 12.970 1.00 16.04 N ATOM 1075 CA GLY A 132 -28.690 7.273 13.644 1.00 16.45 C ATOM 1076 C GLY A 132 -29.545 8.237 12.838 1.00 15.57 C ATOM 1077 O GLY A 132 -30.421 8.972 13.396 1.00 16.97 O ATOM 1078 N MET A 133 -29.311 8.297 11.534 1.00 15.80 N ATOM 1079 CA MET A 133 -30.078 9.283 10.726 1.00 15.56 C ATOM 1080 C MET A 133 -31.528 8.898 10.650 1.00 17.08 C ATOM 1081 O MET A 133 -32.419 9.759 10.688 1.00 18.43 O ATOM 1082 CB MET A 133 -29.486 9.455 9.312 1.00 16.98 C ATOM 1083 CG MET A 133 -29.540 8.226 8.441 1.00 17.79 C ATOM 1084 SD MET A 133 -28.740 8.520 6.805 1.00 20.24 S ATOM 1085 CE MET A 133 -27.054 8.866 7.315 1.00 21.25 C ATOM 1086 N LEU A 134 -31.770 7.593 10.518 1.00 15.89 N ATOM 1087 CA LEU A 134 -33.163 7.157 10.420 1.00 16.38 C ATOM 1088 C LEU A 134 -33.921 7.416 11.731 1.00 17.68 C ATOM 1089 O LEU A 134 -35.095 7.854 11.728 1.00 18.14 O ATOM 1090 CB LEU A 134 -33.255 5.660 10.066 1.00 17.18 C ATOM 1091 CG LEU A 134 -32.779 5.354 8.672 1.00 17.07 C ATOM 1092 CD1 LEU A 134 -32.815 3.810 8.403 1.00 17.54 C ATOM 1093 CD2 LEU A 134 -33.541 6.086 7.571 1.00 19.78 C ATOM 1094 N GLU A 135 -33.303 7.082 12.861 1.00 16.10 N ATOM 1095 CA GLU A 135 -33.969 7.291 14.145 1.00 17.29 C ATOM 1096 C GLU A 135 -34.187 8.770 14.433 1.00 17.97 C ATOM 1097 O GLU A 135 -35.247 9.118 14.942 1.00 20.38 O ATOM 1098 CB GLU A 135 -33.136 6.588 15.249 1.00 17.21 C ATOM 1099 CG GLU A 135 -33.293 5.085 15.074 1.00 18.60 C ATOM 1100 CD GLU A 135 -32.391 4.248 15.946 1.00 19.10 C ATOM 1101 OE1 GLU A 135 -31.502 4.769 16.676 1.00 19.69 O ATOM 1102 OE2 GLU A 135 -32.606 2.989 15.870 1.00 20.39 O ATOM 1103 N ALA A 136 -33.202 9.618 14.154 1.00 17.48 N ATOM 1104 CA ALA A 136 -33.360 10.995 14.493 1.00 17.21 C ATOM 1105 C ALA A 136 -34.485 11.561 13.623 1.00 18.83 C ATOM 1106 O ALA A 136 -35.275 12.394 14.098 1.00 19.17 O ATOM 1107 CB ALA A 136 -32.055 11.719 14.233 1.00 17.47 C ATOM 1108 N SER A 137 -34.553 11.117 12.379 1.00 16.96 N ATOM 1109 CA SER A 137 -35.531 11.685 11.417 1.00 17.47 C ATOM 1110 C SER A 137 -36.977 11.430 11.813 1.00 18.37 C ATOM 1111 O SER A 137 -37.892 12.120 11.306 1.00 19.11 O ATOM 1112 CB SER A 137 -35.267 11.091 10.034 1.00 17.46 C ATOM 1113 OG SER A 137 -34.016 11.573 9.543 1.00 18.45 O ATOM 1114 N GLU A 138 -37.241 10.436 12.669 1.00 19.12 N ATOM 1115 CA GLU A 138 -38.595 10.209 13.151 1.00 19.18 C ATOM 1116 C GLU A 138 -39.166 11.483 13.772 1.00 22.71 C ATOM 1117 O GLU A 138 -40.390 11.655 13.801 1.00 22.88 O ATOM 1118 CB GLU A 138 -38.629 9.081 14.173 1.00 21.25 C ATOM 1119 CG GLU A 138 -38.164 7.763 13.571 1.00 23.44 C ATOM 1120 CD GLU A 138 -37.927 6.688 14.595 1.00 29.06 C ATOM 1121 OE1 GLU A 138 -38.251 6.927 15.747 1.00 30.44 O ATOM 1122 OE2 GLU A 138 -37.410 5.601 14.237 1.00 29.34 O ATOM 1123 N GLY A 139 -38.294 12.378 14.241 1.00 19.90 N ATOM 1124 CA GLY A 139 -38.746 13.611 14.871 1.00 22.11 C ATOM 1125 C GLY A 139 -39.441 14.534 13.902 1.00 22.39 C ATOM 1126 O GLY A 139 -40.093 15.475 14.370 1.00 24.92 O ATOM 1127 N LEU A 140 -39.359 14.278 12.598 1.00 21.21 N ATOM 1128 CA LEU A 140 -40.095 15.130 11.607 1.00 21.00 C ATOM 1129 C LEU A 140 -41.533 14.683 11.396 1.00 22.62 C ATOM 1130 O LEU A 140 -42.323 15.411 10.767 1.00 22.75 O ATOM 1131 CB LEU A 140 -39.405 15.151 10.256 1.00 22.05 C ATOM 1132 CG LEU A 140 -38.169 16.016 10.159 1.00 23.84 C ATOM 1133 CD1 LEU A 140 -37.501 15.849 8.831 1.00 27.71 C ATOM 1134 CD2 LEU A 140 -38.587 17.470 10.380 1.00 30.35 C ATOM 1135 N ASP A 141 -41.911 13.516 11.891 1.00 22.34 N ATOM 1136 CA ASP A 141 -43.221 12.958 11.535 1.00 23.76 C ATOM 1137 C ASP A 141 -44.379 13.852 11.951 1.00 25.58 C ATOM 1138 O ASP A 141 -45.342 14.000 11.190 1.00 24.62 O ATOM 1139 CB ASP A 141 -43.387 11.596 12.165 1.00 21.51 C ATOM 1140 CG ASP A 141 -42.634 10.497 11.411 1.00 24.26 C ATOM 1141 OD1 ASP A 141 -42.233 10.741 10.264 1.00 26.76 O ATOM 1142 OD2 ASP A 141 -42.475 9.413 12.007 1.00 27.05 O ATOM 1143 N GLY A 142 -44.299 14.444 13.139 1.00 24.68 N ATOM 1144 CA GLY A 142 -45.416 15.281 13.624 1.00 27.28 C ATOM 1145 C GLY A 142 -45.639 16.446 12.692 1.00 28.05 C ATOM 1146 O GLY A 142 -46.772 16.697 12.247 1.00 29.97 O ATOM 1147 N TRP A 143 -44.566 17.153 12.349 1.00 26.75 N ATOM 1148 CA TRP A 143 -44.690 18.342 11.542 1.00 28.09 C ATOM 1149 C TRP A 143 -45.055 17.988 10.106 1.00 28.94 C ATOM 1150 O TRP A 143 -45.867 18.687 9.483 1.00 26.79 O ATOM 1151 CB TRP A 143 -43.406 19.149 11.590 1.00 30.15 C ATOM 1152 CG TRP A 143 -43.500 20.431 10.858 1.00 32.88 C ATOM 1153 CD1 TRP A 143 -43.971 21.617 11.338 1.00 36.15 C ATOM 1154 CD2 TRP A 143 -43.090 20.673 9.511 1.00 34.71 C ATOM 1155 NE1 TRP A 143 -43.887 22.584 10.364 1.00 34.40 N ATOM 1156 CE2 TRP A 143 -43.344 22.031 9.234 1.00 33.13 C ATOM 1157 CE3 TRP A 143 -42.523 19.873 8.510 1.00 32.29 C ATOM 1158 CZ2 TRP A 143 -43.067 22.607 7.998 1.00 33.96 C ATOM 1159 CZ3 TRP A 143 -42.255 20.445 7.278 1.00 33.46 C ATOM 1160 CH2 TRP A 143 -42.529 21.801 7.031 1.00 35.82 C ATOM 1161 N ILE A 144 -44.499 16.908 9.560 1.00 27.52 N ATOM 1162 CA ILE A 144 -44.811 16.669 8.168 1.00 29.21 C ATOM 1163 C ILE A 144 -46.249 16.174 7.991 1.00 28.55 C ATOM 1164 O ILE A 144 -46.891 16.461 6.983 1.00 27.73 O ATOM 1165 CB ILE A 144 -43.740 15.864 7.381 1.00 30.07 C ATOM 1166 CG1 ILE A 144 -44.135 14.423 7.216 1.00 35.45 C ATOM 1167 CG2 ILE A 144 -42.332 16.113 7.862 1.00 32.60 C ATOM 1168 CD1 ILE A 144 -44.487 14.221 5.832 1.00 38.44 C ATOM 1169 N HIS A 145 -46.753 15.463 8.987 1.00 27.75 N ATOM 1170 CA HIS A 145 -48.143 15.054 9.009 1.00 29.59 C ATOM 1171 C HIS A 145 -49.029 16.305 8.961 1.00 29.56 C ATOM 1172 O HIS A 145 -50.061 16.339 8.244 1.00 29.39 O ATOM 1173 CB HIS A 145 -48.426 14.259 10.284 1.00 29.40 C ATOM 1174 CG HIS A 145 -49.859 13.872 10.446 1.00 35.18 C ATOM 1175 ND1 HIS A 145 -50.377 12.705 9.928 1.00 40.28 N ATOM 1176 CD2 HIS A 145 -50.890 14.504 11.055 1.00 37.31 C ATOM 1177 CE1 HIS A 145 -51.663 12.629 10.219 1.00 39.17 C ATOM 1178 NE2 HIS A 145 -51.998 13.708 10.904 1.00 37.74 N ATOM 1179 N GLN A 146 -48.623 17.335 9.707 1.00 29.90 N ATOM 1180 CA GLN A 146 -49.358 18.627 9.708 1.00 31.98 C ATOM 1181 C GLN A 146 -49.375 19.276 8.327 1.00 31.35 C ATOM 1182 O GLN A 146 -50.214 20.150 8.060 1.00 32.23 O ATOM 1183 CB GLN A 146 -48.773 19.612 10.737 1.00 31.64 C ATOM 1184 CG GLN A 146 -49.165 19.337 12.184 1.00 35.43 C ATOM 1185 CD GLN A 146 -48.202 19.971 13.205 1.00 35.50 C ATOM 1186 OE1 GLN A 146 -47.585 21.159 12.689 0.00 43.87 O ATOM 1187 NE2 GLN A 146 -48.386 19.983 14.443 0.00 42.05 N ATOM 1188 N GLN A 147 -48.468 18.859 7.445 1.00 30.53 N ATOM 1189 CA GLN A 147 -48.417 19.387 6.081 1.00 30.21 C ATOM 1190 C GLN A 147 -49.137 18.486 5.053 1.00 28.35 C ATOM 1191 O GLN A 147 -49.113 18.757 3.839 1.00 29.78 O ATOM 1192 CB GLN A 147 -46.972 19.712 5.664 1.00 30.56 C ATOM 1193 CG GLN A 147 -46.110 20.344 6.774 1.00 32.68 C ATOM 1194 CD GLN A 147 -46.765 21.536 7.415 1.00 35.69 C ATOM 1195 OE1 GLN A 147 -47.138 22.494 6.727 1.00 38.52 O ATOM 1196 NE2 GLN A 147 -46.945 21.482 8.738 1.00 36.96 N ATOM 1197 N GLY A 148 -49.806 17.448 5.550 1.00 26.28 N ATOM 1198 CA GLY A 148 -50.474 16.477 4.700 1.00 26.85 C ATOM 1199 C GLY A 148 -49.596 15.351 4.214 1.00 28.04 C ATOM 1200 O GLY A 148 -49.964 14.624 3.301 1.00 27.93 O ATOM 1201 N GLY A 149 -48.425 15.199 4.830 1.00 26.96 N ATOM 1202 CA GLY A 149 -47.509 14.131 4.450 1.00 26.45 C ATOM 1203 C GLY A 149 -46.536 14.473 3.333 1.00 27.01 C ATOM 1204 O GLY A 149 -46.697 15.468 2.624 1.00 25.70 O ATOM 1205 N TRP A 150 -45.501 13.631 3.188 1.00 25.37 N ATOM 1206 CA TRP A 150 -44.446 13.826 2.190 1.00 25.31 C ATOM 1207 C TRP A 150 -44.981 13.925 0.767 1.00 24.22 C ATOM 1208 O TRP A 150 -44.494 14.731 -0.023 1.00 24.73 O ATOM 1209 CB TRP A 150 -43.354 12.735 2.301 1.00 24.68 C ATOM 1210 CG TRP A 150 -42.517 12.895 3.544 1.00 24.96 C ATOM 1211 CD1 TRP A 150 -42.595 12.159 4.710 1.00 24.06 C ATOM 1212 CD2 TRP A 150 -41.477 13.868 3.747 1.00 26.61 C ATOM 1213 NE1 TRP A 150 -41.662 12.627 5.627 1.00 23.56 N ATOM 1214 CE2 TRP A 150 -40.969 13.667 5.060 1.00 23.07 C ATOM 1215 CE3 TRP A 150 -40.920 14.894 2.951 1.00 25.04 C ATOM 1216 CZ2 TRP A 150 -39.925 14.457 5.586 1.00 25.95 C ATOM 1217 CZ3 TRP A 150 -39.866 15.687 3.485 1.00 25.53 C ATOM 1218 CH2 TRP A 150 -39.396 15.458 4.796 1.00 25.68 C ATOM 1219 N SER A 151 -45.972 13.089 0.448 1.00 24.91 N ATOM 1220 CA SER A 151 -46.509 13.052 -0.913 1.00 26.87 C ATOM 1221 C SER A 151 -47.224 14.353 -1.287 1.00 27.98 C ATOM 1222 O SER A 151 -47.014 14.894 -2.383 1.00 28.00 O ATOM 1223 CB SER A 151 -47.381 11.821 -1.131 1.00 26.35 C ATOM 1224 OG SER A 151 -46.584 10.652 -1.123 1.00 30.78 O ATOM 1225 N THR A 152 -48.044 14.870 -0.369 1.00 29.21 N ATOM 1226 CA THR A 152 -48.687 16.185 -0.571 1.00 29.28 C ATOM 1227 C THR A 152 -47.671 17.295 -0.806 1.00 29.29 C ATOM 1228 O THR A 152 -47.808 18.071 -1.755 1.00 29.14 O ATOM 1229 CB THR A 152 -49.626 16.557 0.610 1.00 29.62 C ATOM 1230 OG1 THR A 152 -50.628 15.550 0.748 1.00 33.23 O ATOM 1231 CG2 THR A 152 -50.308 17.893 0.374 1.00 31.46 C ATOM 1232 N LEU A 153 -46.619 17.349 0.022 1.00 28.11 N ATOM 1233 CA LEU A 153 -45.617 18.407 -0.099 1.00 28.17 C ATOM 1234 C LEU A 153 -44.958 18.462 -1.484 1.00 28.57 C ATOM 1235 O LEU A 153 -44.812 19.551 -2.045 1.00 29.24 O ATOM 1236 CB LEU A 153 -44.555 18.326 1.020 1.00 28.10 C ATOM 1237 CG LEU A 153 -44.885 18.804 2.456 1.00 30.83 C ATOM 1238 CD1 LEU A 153 -43.930 18.219 3.513 1.00 31.61 C ATOM 1239 CD2 LEU A 153 -44.879 20.327 2.575 1.00 30.94 C ATOM 1240 N ILE A 154 -44.583 17.305 -2.044 1.00 27.95 N ATOM 1241 CA ILE A 154 -43.931 17.314 -3.357 1.00 28.11 C ATOM 1242 C ILE A 154 -44.908 17.619 -4.498 1.00 28.54 C ATOM 1243 O ILE A 154 -44.573 18.392 -5.394 1.00 28.66 O ATOM 1244 CB ILE A 154 -43.056 16.043 -3.636 1.00 26.61 C ATOM 1245 CG1 ILE A 154 -42.123 16.268 -4.828 1.00 30.31 C ATOM 1246 CG2 ILE A 154 -43.896 14.819 -3.881 1.00 26.02 C ATOM 1247 CD1 ILE A 154 -41.157 17.365 -4.640 1.00 31.06 C ATOM 1248 N GLU A 155 -46.102 17.017 -4.439 1.00 29.55 N ATOM 1249 CA GLU A 155 -47.098 17.118 -5.511 1.00 31.58 C ATOM 1250 C GLU A 155 -47.657 18.518 -5.589 1.00 32.89 C ATOM 1251 O GLU A 155 -47.958 19.018 -6.689 1.00 31.89 O ATOM 1252 CB GLU A 155 -48.229 16.105 -5.294 1.00 31.61 C ATOM 1253 CG GLU A 155 -47.828 14.685 -5.656 1.00 36.60 C ATOM 1254 CD GLU A 155 -48.664 13.608 -4.972 1.00 43.01 C ATOM 1255 OE1 GLU A 155 -49.803 13.893 -4.540 1.00 43.91 O ATOM 1256 OE2 GLU A 155 -48.173 12.460 -4.876 1.00 44.02 O ATOM 1257 N ASP A 156 -47.764 19.169 -4.432 1.00 33.53 N ATOM 1258 CA ASP A 156 -48.520 20.410 -4.357 1.00 35.02 C ATOM 1259 C ASP A 156 -47.772 21.656 -3.872 1.00 36.03 C ATOM 1260 O ASP A 156 -48.188 22.769 -4.193 1.00 36.92 O ATOM 1261 CB ASP A 156 -49.803 20.166 -3.556 1.00 34.55 C ATOM 1262 CG ASP A 156 -50.691 19.089 -4.191 1.00 33.38 C ATOM 1263 OD1 ASP A 156 -50.713 19.001 -5.440 1.00 36.51 O ATOM 1264 OD2 ASP A 156 -51.375 18.342 -3.461 1.00 26.69 O ATOM 1265 N ASN A 157 -46.664 21.492 -3.153 1.00 37.52 N ATOM 1266 CA ASN A 157 -45.976 22.640 -2.538 1.00 38.71 C ATOM 1267 C ASN A 157 -44.550 22.902 -3.017 1.00 39.69 C ATOM 1268 O ASN A 157 -44.034 24.007 -2.830 1.00 42.34 O ATOM 1269 CB ASN A 157 -45.944 22.516 -0.999 1.00 39.98 C ATOM 1270 CG ASN A 157 -47.338 22.474 -0.363 1.00 41.54 C ATOM 1271 OD1 ASN A 157 -48.335 22.911 -0.951 1.00 40.82 O ATOM 1272 ND2 ASN A 157 -47.400 21.958 0.859 1.00 43.53 N ATOM 1273 N ILE A 158 -43.893 21.903 -3.599 1.00 38.46 N ATOM 1274 CA ILE A 158 -42.513 22.121 -4.068 1.00 37.42 C ATOM 1275 C ILE A 158 -42.387 21.945 -5.583 1.00 36.02 C ATOM 1276 O ILE A 158 -42.835 20.951 -6.143 1.00 34.66 O ATOM 1277 CB ILE A 158 -41.460 21.236 -3.353 1.00 37.02 C ATOM 1278 CG1 ILE A 158 -41.892 20.870 -1.927 1.00 35.67 C ATOM 1279 CG2 ILE A 158 -40.106 21.959 -3.335 1.00 39.18 C ATOM 1280 CD1 ILE A 158 -41.103 19.719 -1.337 1.00 37.92 C TER 1281 ILE A 158 ATOM 1282 N ASP B 51 -16.296 19.451 21.803 1.00 43.62 N ATOM 1283 CA ASP B 51 -16.845 18.059 21.763 1.00 44.15 C ATOM 1284 C ASP B 51 -18.217 17.993 21.078 1.00 43.04 C ATOM 1285 O ASP B 51 -18.377 17.287 20.070 1.00 43.46 O ATOM 1286 CB ASP B 51 -16.917 17.439 23.163 1.00 44.83 C ATOM 1287 CG ASP B 51 -17.280 15.956 23.130 1.00 47.59 C ATOM 1288 OD1 ASP B 51 -16.808 15.237 22.217 1.00 51.42 O ATOM 1289 OD2 ASP B 51 -18.037 15.504 24.021 1.00 52.77 O ATOM 1290 N MET B 52 -19.201 18.710 21.628 1.00 41.15 N ATOM 1291 CA MET B 52 -20.475 18.917 20.932 1.00 39.45 C ATOM 1292 C MET B 52 -20.428 20.129 19.987 1.00 37.05 C ATOM 1293 O MET B 52 -21.412 20.462 19.324 1.00 35.05 O ATOM 1294 CB MET B 52 -21.649 19.002 21.918 1.00 40.78 C ATOM 1295 CG MET B 52 -22.641 17.821 21.851 1.00 46.26 C ATOM 1296 SD MET B 52 -21.951 16.158 21.580 1.00 51.81 S ATOM 1297 CE MET B 52 -23.455 15.181 21.484 1.00 47.17 C ATOM 1298 N ARG B 53 -19.267 20.778 19.912 1.00 35.03 N ATOM 1299 CA ARG B 53 -19.091 21.935 19.031 1.00 33.98 C ATOM 1300 C ARG B 53 -19.263 21.657 17.521 1.00 31.77 C ATOM 1301 O ARG B 53 -19.891 22.466 16.830 1.00 31.90 O ATOM 1302 CB ARG B 53 -17.782 22.672 19.342 1.00 33.78 C ATOM 1303 CG ARG B 53 -17.740 23.297 20.748 1.00 35.48 C ATOM 1304 CD ARG B 53 -16.786 23.813 21.408 0.00 44.97 C ATOM 1305 NE ARG B 53 -17.078 24.815 22.439 0.00 48.74 N ATOM 1306 CZ ARG B 53 -16.417 24.951 23.583 0.00 49.94 C ATOM 1307 NH1 ARG B 53 -15.396 24.151 23.870 0.00 52.04 N ATOM 1308 NH2 ARG B 53 -16.781 25.895 24.443 0.00 50.97 N ATOM 1309 N PRO B 54 -18.741 20.518 16.991 1.00 31.35 N ATOM 1310 CA PRO B 54 -19.023 20.240 15.577 1.00 29.93 C ATOM 1311 C PRO B 54 -20.507 20.210 15.272 1.00 28.72 C ATOM 1312 O PRO B 54 -20.948 20.792 14.285 1.00 29.41 O ATOM 1313 CB PRO B 54 -18.435 18.842 15.352 1.00 29.54 C ATOM 1314 CG PRO B 54 -17.379 18.718 16.374 1.00 31.27 C ATOM 1315 CD PRO B 54 -17.869 19.487 17.584 1.00 31.06 C ATOM 1316 N GLU B 55 -21.281 19.583 16.160 1.00 26.29 N ATOM 1317 CA GLU B 55 -22.713 19.406 15.914 1.00 25.71 C ATOM 1318 C GLU B 55 -23.489 20.731 15.940 1.00 25.29 C ATOM 1319 O GLU B 55 -24.451 20.885 15.185 1.00 25.21 O ATOM 1320 CB GLU B 55 -23.344 18.317 16.826 1.00 25.36 C ATOM 1321 CG GLU B 55 -22.566 17.955 18.056 1.00 35.61 C ATOM 1322 CD GLU B 55 -21.452 16.928 17.839 1.00 34.57 C ATOM 1323 OE1 GLU B 55 -21.724 15.742 17.524 1.00 33.64 O ATOM 1324 OE2 GLU B 55 -20.291 17.304 18.074 1.00 34.09 O ATOM 1325 N ILE B 56 -23.065 21.689 16.774 1.00 25.34 N ATOM 1326 CA ILE B 56 -23.735 22.993 16.751 1.00 27.05 C ATOM 1327 C ILE B 56 -23.406 23.779 15.468 1.00 27.11 C ATOM 1328 O ILE B 56 -24.284 24.438 14.908 1.00 25.82 O ATOM 1329 CB ILE B 56 -23.611 23.849 18.080 1.00 28.79 C ATOM 1330 CG1 ILE B 56 -22.825 25.124 17.876 1.00 32.25 C ATOM 1331 CG2 ILE B 56 -23.284 22.994 19.338 1.00 30.13 C ATOM 1332 CD1 ILE B 56 -23.727 26.292 17.766 1.00 37.04 C ATOM 1333 N TRP B 57 -22.170 23.678 14.975 1.00 26.34 N ATOM 1334 CA TRP B 57 -21.836 24.329 13.706 1.00 26.99 C ATOM 1335 C TRP B 57 -22.595 23.731 12.535 1.00 27.13 C ATOM 1336 O TRP B 57 -23.095 24.441 11.667 1.00 29.18 O ATOM 1337 CB TRP B 57 -20.341 24.258 13.418 1.00 27.96 C ATOM 1338 CG TRP B 57 -19.992 24.833 12.049 1.00 30.04 C ATOM 1339 CD1 TRP B 57 -20.224 26.116 11.608 1.00 33.53 C ATOM 1340 CD2 TRP B 57 -19.367 24.144 10.962 1.00 27.42 C ATOM 1341 NE1 TRP B 57 -19.774 26.258 10.309 1.00 31.70 N ATOM 1342 CE2 TRP B 57 -19.226 25.074 9.897 1.00 29.54 C ATOM 1343 CE3 TRP B 57 -18.877 22.842 10.786 1.00 27.91 C ATOM 1344 CZ2 TRP B 57 -18.650 24.724 8.664 1.00 27.61 C ATOM 1345 CZ3 TRP B 57 -18.273 22.502 9.554 1.00 28.68 C ATOM 1346 CH2 TRP B 57 -18.174 23.443 8.513 1.00 26.43 C ATOM 1347 N ILE B 58 -22.671 22.407 12.513 1.00 26.26 N ATOM 1348 CA ILE B 58 -23.398 21.694 11.477 1.00 25.98 C ATOM 1349 C ILE B 58 -24.875 22.161 11.430 1.00 25.70 C ATOM 1350 O ILE B 58 -25.385 22.482 10.363 1.00 25.30 O ATOM 1351 CB ILE B 58 -23.283 20.192 11.693 1.00 27.46 C ATOM 1352 CG1 ILE B 58 -21.811 19.743 11.536 1.00 24.23 C ATOM 1353 CG2 ILE B 58 -24.186 19.464 10.733 1.00 25.99 C ATOM 1354 CD1 ILE B 58 -21.574 18.297 12.011 1.00 29.16 C ATOM 1355 N ALA B 59 -25.532 22.199 12.596 1.00 25.78 N ATOM 1356 CA ALA B 59 -26.905 22.652 12.691 1.00 25.63 C ATOM 1357 C ALA B 59 -27.049 24.118 12.260 1.00 27.26 C ATOM 1358 O ALA B 59 -28.027 24.463 11.599 1.00 29.03 O ATOM 1359 CB ALA B 59 -27.426 22.453 14.107 1.00 25.57 C ATOM 1360 N GLN B 60 -26.089 24.981 12.622 1.00 27.06 N ATOM 1361 CA GLN B 60 -26.102 26.373 12.150 1.00 28.50 C ATOM 1362 C GLN B 60 -26.143 26.409 10.621 1.00 28.07 C ATOM 1363 O GLN B 60 -26.951 27.112 10.006 1.00 28.00 O ATOM 1364 CB GLN B 60 -24.875 27.153 12.683 1.00 28.40 C ATOM 1365 CG GLN B 60 -24.839 27.376 14.200 1.00 33.73 C ATOM 1366 CD GLN B 60 -23.559 28.049 14.742 1.00 33.17 C ATOM 1367 OE1 GLN B 60 -23.559 28.565 15.868 1.00 37.34 O ATOM 1368 NE2 GLN B 60 -22.479 28.050 13.960 1.00 36.49 N ATOM 1369 N GLU B 61 -25.288 25.606 10.008 1.00 26.58 N ATOM 1370 CA GLU B 61 -25.228 25.583 8.548 1.00 26.97 C ATOM 1371 C GLU B 61 -26.520 25.069 7.908 1.00 26.05 C ATOM 1372 O GLU B 61 -26.995 25.653 6.907 1.00 27.30 O ATOM 1373 CB GLU B 61 -24.013 24.802 8.041 1.00 28.90 C ATOM 1374 CG GLU B 61 -22.690 25.429 8.400 1.00 29.62 C ATOM 1375 CD GLU B 61 -22.441 26.738 7.637 1.00 33.01 C ATOM 1376 OE1 GLU B 61 -22.930 26.879 6.495 1.00 32.72 O ATOM 1377 OE2 GLU B 61 -21.758 27.623 8.186 1.00 36.59 O ATOM 1378 N LEU B 62 -27.081 24.000 8.467 1.00 26.57 N ATOM 1379 CA LEU B 62 -28.299 23.465 7.894 1.00 27.31 C ATOM 1380 C LEU B 62 -29.522 24.337 8.118 1.00 29.36 C ATOM 1381 O LEU B 62 -30.372 24.437 7.233 1.00 30.08 O ATOM 1382 CB LEU B 62 -28.529 22.020 8.341 1.00 26.86 C ATOM 1383 CG LEU B 62 -27.452 21.040 7.857 1.00 27.79 C ATOM 1384 CD1 LEU B 62 -27.745 19.702 8.470 1.00 27.95 C ATOM 1385 CD2 LEU B 62 -27.440 20.919 6.346 1.00 26.63 C ATOM 1386 N ARG B 63 -29.603 24.996 9.272 1.00 30.31 N ATOM 1387 CA ARG B 63 -30.634 26.008 9.449 1.00 30.11 C ATOM 1388 C ARG B 63 -30.497 27.095 8.369 1.00 30.50 C ATOM 1389 O ARG B 63 -31.488 27.475 7.758 1.00 31.46 O ATOM 1390 CB ARG B 63 -30.579 26.628 10.864 1.00 29.56 C ATOM 1391 CG ARG B 63 -30.947 25.628 12.014 1.00 28.68 C ATOM 1392 CD ARG B 63 -31.312 26.378 13.332 1.00 29.12 C ATOM 1393 NE ARG B 63 -30.235 27.273 13.757 1.00 28.97 N ATOM 1394 CZ ARG B 63 -29.240 26.924 14.569 1.00 29.14 C ATOM 1395 NH1 ARG B 63 -28.295 27.816 14.890 1.00 26.88 N ATOM 1396 NH2 ARG B 63 -29.196 25.695 15.078 1.00 30.02 N ATOM 1397 N ARG B 64 -29.272 27.582 8.148 1.00 29.41 N ATOM 1398 CA ARG B 64 -29.013 28.616 7.136 1.00 31.62 C ATOM 1399 C ARG B 64 -29.448 28.124 5.760 1.00 32.35 C ATOM 1400 O ARG B 64 -30.148 28.833 5.035 1.00 34.35 O ATOM 1401 CB ARG B 64 -27.530 28.992 7.079 1.00 31.20 C ATOM 1402 CG ARG B 64 -26.988 29.745 8.266 1.00 35.75 C ATOM 1403 CD ARG B 64 -25.508 30.030 8.054 1.00 35.79 C ATOM 1404 NE ARG B 64 -24.705 29.824 9.248 1.00 41.10 N ATOM 1405 CZ ARG B 64 -24.532 30.751 10.191 1.00 42.11 C ATOM 1406 NH1 ARG B 64 -23.964 30.661 11.334 0.00 44.80 N ATOM 1407 NH2 ARG B 64 -25.104 31.944 10.070 1.00 43.36 N ATOM 1408 N ILE B 65 -29.013 26.920 5.395 1.00 30.34 N ATOM 1409 CA ILE B 65 -29.334 26.359 4.092 1.00 31.56 C ATOM 1410 C ILE B 65 -30.838 26.213 3.939 1.00 32.66 C ATOM 1411 O ILE B 65 -31.392 26.626 2.927 1.00 34.38 O ATOM 1412 CB ILE B 65 -28.586 25.028 3.862 1.00 30.80 C ATOM 1413 CG1 ILE B 65 -27.087 25.335 3.693 1.00 29.00 C ATOM 1414 CG2 ILE B 65 -29.156 24.255 2.657 1.00 30.93 C ATOM 1415 CD1 ILE B 65 -26.155 24.125 3.706 1.00 31.07 C ATOM 1416 N GLY B 66 -31.501 25.695 4.972 1.00 33.31 N ATOM 1417 CA GLY B 66 -32.964 25.560 4.961 1.00 34.83 C ATOM 1418 C GLY B 66 -33.702 26.891 4.818 1.00 36.94 C ATOM 1419 O GLY B 66 -34.703 26.978 4.104 1.00 37.03 O ATOM 1420 N ASP B 67 -33.199 27.930 5.482 1.00 37.67 N ATOM 1421 CA ASP B 67 -33.813 29.253 5.377 1.00 39.19 C ATOM 1422 C ASP B 67 -33.606 29.856 3.983 1.00 39.97 C ATOM 1423 O ASP B 67 -34.527 30.494 3.462 1.00 40.75 O ATOM 1424 CB ASP B 67 -33.345 30.182 6.517 1.00 39.38 C ATOM 1425 CG ASP B 67 -33.747 29.649 7.912 1.00 39.39 C ATOM 1426 OD1 ASP B 67 -34.559 28.687 8.002 1.00 40.35 O ATOM 1427 OD2 ASP B 67 -33.228 30.167 8.923 1.00 41.17 O ATOM 1428 N GLU B 68 -32.432 29.628 3.369 1.00 41.55 N ATOM 1429 CA GLU B 68 -32.177 30.084 1.977 1.00 43.68 C ATOM 1430 C GLU B 68 -33.168 29.435 1.016 1.00 43.92 C ATOM 1431 O GLU B 68 -33.652 30.088 0.090 1.00 43.67 O ATOM 1432 CB GLU B 68 -30.772 29.700 1.480 1.00 44.17 C ATOM 1433 CG GLU B 68 -29.631 29.935 2.440 1.00 49.79 C ATOM 1434 CD GLU B 68 -28.688 31.032 2.012 1.00 53.36 C ATOM 1435 OE1 GLU B 68 -29.023 31.812 1.081 1.00 58.17 O ATOM 1436 OE2 GLU B 68 -27.591 31.113 2.615 1.00 56.82 O ATOM 1437 N PHE B 69 -33.433 28.139 1.220 1.00 44.61 N ATOM 1438 CA PHE B 69 -34.341 27.371 0.365 1.00 45.09 C ATOM 1439 C PHE B 69 -35.756 27.938 0.447 1.00 47.51 C ATOM 1440 O PHE B 69 -36.434 28.073 -0.576 1.00 48.80 O ATOM 1441 CB PHE B 69 -34.352 25.888 0.738 1.00 43.34 C ATOM 1442 CG PHE B 69 -35.202 25.038 -0.172 1.00 40.65 C ATOM 1443 CD1 PHE B 69 -34.604 24.260 -1.160 1.00 38.91 C ATOM 1444 CD2 PHE B 69 -36.607 24.979 -0.026 1.00 39.78 C ATOM 1445 CE1 PHE B 69 -35.394 23.473 -2.009 1.00 39.62 C ATOM 1446 CE2 PHE B 69 -37.405 24.193 -0.841 1.00 40.69 C ATOM 1447 CZ PHE B 69 -36.796 23.454 -1.870 1.00 39.41 C ATOM 1448 N ASN B 70 -36.198 28.269 1.661 1.00 49.46 N ATOM 1449 CA ASN B 70 -37.528 28.840 1.894 1.00 50.88 C ATOM 1450 C ASN B 70 -37.872 30.054 1.020 1.00 52.61 C ATOM 1451 O ASN B 70 -39.010 30.535 1.033 1.00 53.27 O ATOM 1452 CB ASN B 70 -37.704 29.168 3.378 1.00 50.21 C ATOM 1453 CG ASN B 70 -37.963 27.930 4.215 1.00 49.69 C ATOM 1454 OD1 ASN B 70 -38.594 26.982 3.748 1.00 44.31 O ATOM 1455 ND2 ASN B 70 -37.483 27.933 5.461 1.00 50.00 N ATOM 1456 N ALA B 71 -36.879 30.533 0.268 1.00 54.43 N ATOM 1457 CA ALA B 71 -37.052 31.597 -0.728 1.00 55.70 C ATOM 1458 C ALA B 71 -36.558 31.098 -2.101 1.00 57.15 C ATOM 1459 O ALA B 71 -35.742 31.749 -2.768 1.00 56.97 O ATOM 1460 CB ALA B 71 -36.299 32.837 -0.289 1.00 55.84 C ATOM 1461 N TYR B 72 -37.071 29.934 -2.511 1.00 59.12 N ATOM 1462 CA TYR B 72 -36.515 29.169 -3.636 1.00 60.74 C ATOM 1463 C TYR B 72 -37.583 28.269 -4.265 1.00 60.67 C ATOM 1464 O TYR B 72 -37.702 27.090 -3.919 1.00 60.84 O ATOM 1465 CB TYR B 72 -35.342 28.302 -3.138 1.00 61.66 C ATOM 1466 CG TYR B 72 -34.049 28.413 -3.921 1.00 63.44 C ATOM 1467 CD1 TYR B 72 -33.521 27.306 -4.587 1.00 64.02 C ATOM 1468 CD2 TYR B 72 -33.343 29.621 -3.978 1.00 64.72 C ATOM 1469 CE1 TYR B 72 -32.334 27.401 -5.304 1.00 64.64 C ATOM 1470 CE2 TYR B 72 -32.151 29.725 -4.689 1.00 65.36 C ATOM 1471 CZ TYR B 72 -31.652 28.609 -5.349 1.00 64.98 C ATOM 1472 OH TYR B 72 -30.473 28.704 -6.061 1.00 64.95 O TER 1473 TYR B 72 HETATM 1474 BR BR A1159 -19.235 5.015 16.925 1.00 27.54 BR HETATM 1475 BR BR A1160 -39.903 -2.129 -4.760 1.00 31.69 BR HETATM 1476 BR BR A1161 -21.941 17.365 -4.969 1.00 24.28 BR HETATM 1477 BR BR A1162 -17.342 8.768 5.603 0.50 24.90 BR HETATM 1478 BR BR A1163 -17.077 -3.080 11.872 0.80 43.52 BR HETATM 1479 BR BR A1164 -48.034 15.599 -9.189 0.50 17.55 BR HETATM 1480 BR BR A1165 -26.371 28.072 17.831 0.50 16.65 BR HETATM 1481 BR BR A1166 -30.231 25.067 -1.329 0.50 20.36 BR HETATM 1482 BR BR A1167 -19.885 -4.823 4.748 0.50 38.16 BR HETATM 1483 C1 GOL A1168 -34.831 1.983 12.024 1.00 30.59 C HETATM 1484 O1 GOL A1168 -35.229 1.782 10.738 1.00 20.50 O HETATM 1485 C2 GOL A1168 -34.084 0.713 12.369 1.00 23.99 C HETATM 1486 O2 GOL A1168 -34.779 0.292 13.504 1.00 20.51 O HETATM 1487 C3 GOL A1168 -32.761 1.431 12.546 1.00 15.35 C HETATM 1488 O3 GOL A1168 -32.155 1.390 13.761 1.00 10.32 O HETATM 1489 C1 GOL A1169 -16.223 17.889 -3.763 1.00 31.48 C HETATM 1490 O1 GOL A1169 -17.344 17.079 -4.037 1.00 33.85 O HETATM 1491 C2 GOL A1169 -16.389 18.515 -2.388 1.00 31.60 C HETATM 1492 O2 GOL A1169 -17.667 19.090 -2.212 1.00 24.11 O HETATM 1493 C3 GOL A1169 -15.287 19.522 -2.120 1.00 33.81 C HETATM 1494 O3 GOL A1169 -14.492 19.099 -1.027 1.00 42.06 O HETATM 1495 O HOH A2001 -47.159 6.295 8.852 1.00 44.15 O HETATM 1496 O HOH A2002 -47.255 10.140 2.121 1.00 11.67 O HETATM 1497 O HOH A2003 -49.557 5.571 3.372 1.00 49.91 O HETATM 1498 O HOH A2004 -45.991 11.094 4.761 1.00 29.75 O HETATM 1499 O HOH A2005 -41.712 3.358 9.747 1.00 17.86 O HETATM 1500 O HOH A2006 -41.267 5.089 11.462 1.00 11.56 O HETATM 1501 O HOH A2007 -38.121 -0.220 13.664 1.00 33.55 O HETATM 1502 O HOH A2008 -46.038 1.792 5.884 1.00 36.78 O HETATM 1503 O HOH A2009 -44.004 23.737 -10.490 1.00 11.10 O HETATM 1504 O HOH A2010 -34.028 1.999 -7.663 1.00 10.47 O HETATM 1505 O HOH A2011 -25.365 6.319 -2.591 1.00 25.23 O HETATM 1506 O HOH A2012 -27.438 8.062 -0.269 1.00 22.02 O HETATM 1507 O HOH A2013 -14.722 6.706 10.111 1.00 26.20 O HETATM 1508 O HOH A2014 -43.996 20.604 -9.658 1.00 21.10 O HETATM 1509 O HOH A2015 -19.950 3.397 -5.404 1.00 49.88 O HETATM 1510 O HOH A2016 -28.910 -0.769 -9.478 1.00 29.33 O HETATM 1511 O HOH A2017 -24.213 1.367 -4.868 1.00 28.18 O HETATM 1512 O HOH A2018 -26.361 -6.113 -0.344 1.00 26.08 O HETATM 1513 O HOH A2019 -28.106 -7.083 5.693 1.00 9.60 O HETATM 1514 O HOH A2020 -36.421 -10.326 9.726 1.00 27.24 O HETATM 1515 O HOH A2021 -30.088 -9.678 9.263 1.00 48.10 O HETATM 1516 O HOH A2022 -39.559 -7.074 7.256 1.00 23.08 O HETATM 1517 O HOH A2023 -35.782 -8.855 13.329 1.00 9.40 O HETATM 1518 O HOH A2024 -43.142 0.830 8.137 1.00 35.44 O HETATM 1519 O HOH A2025 -48.048 -3.024 4.540 1.00 43.99 O HETATM 1520 O HOH A2026 -44.075 2.157 -3.240 1.00 30.77 O HETATM 1521 O HOH A2027 -15.358 7.265 7.988 1.00 29.31 O HETATM 1522 O HOH A2028 -44.504 5.304 -8.868 1.00 27.24 O HETATM 1523 O HOH A2029 -46.054 18.669 -8.814 1.00 25.82 O HETATM 1524 O HOH A2030 -40.991 16.976 -8.581 1.00 18.07 O HETATM 1525 O HOH A2031 -42.543 18.316 -8.108 1.00 19.81 O HETATM 1526 O HOH A2032 -42.087 19.532 15.526 1.00 36.78 O HETATM 1527 O HOH A2033 -49.088 13.494 14.173 1.00 42.59 O HETATM 1528 O HOH A2034 -32.468 12.683 -8.773 1.00 41.21 O HETATM 1529 O HOH A2035 -24.042 15.071 -5.725 1.00 41.68 O HETATM 1530 O HOH A2036 -28.410 22.184 -8.432 1.00 30.28 O HETATM 1531 O HOH A2037 -35.817 20.596 -9.857 1.00 26.03 O HETATM 1532 O HOH A2038 -31.303 23.920 -7.774 1.00 21.07 O HETATM 1533 O HOH A2039 -24.892 27.789 -2.292 1.00 20.58 O HETATM 1534 O HOH A2040 -33.603 21.339 -4.530 1.00 32.09 O HETATM 1535 O HOH A2041 -24.068 26.761 1.650 1.00 21.58 O HETATM 1536 O HOH A2042 -27.461 27.672 0.482 1.00 26.80 O HETATM 1537 O HOH A2043 -13.476 19.727 1.594 1.00 26.82 O HETATM 1538 O HOH A2044 -18.624 14.738 -0.344 1.00 22.17 O HETATM 1539 O HOH A2045 -18.159 14.187 2.838 1.00 27.45 O HETATM 1540 O HOH A2046 -16.177 25.468 13.024 1.00 31.28 O HETATM 1541 O HOH A2047 -15.097 23.545 11.464 1.00 36.13 O HETATM 1542 O HOH A2048 -19.072 14.495 15.890 1.00 31.36 O HETATM 1543 O HOH A2049 -11.562 13.960 17.638 1.00 39.29 O HETATM 1544 O HOH A2050 -11.060 15.084 15.467 1.00 37.14 O HETATM 1545 O HOH A2051 -12.077 16.761 9.641 1.00 42.72 O HETATM 1546 O HOH A2052 -14.847 10.069 15.048 1.00 31.42 O HETATM 1547 O HOH A2053 -17.638 6.195 22.905 1.00 24.57 O HETATM 1548 O HOH A2054 -29.487 10.261 17.613 1.00 30.54 O HETATM 1549 O HOH A2055 -28.690 11.126 22.034 1.00 13.26 O HETATM 1550 O HOH A2056 -24.394 15.698 18.278 1.00 74.02 O HETATM 1551 O HOH A2057 -33.341 9.406 17.639 1.00 22.30 O HETATM 1552 O HOH A2058 -33.011 13.689 17.231 1.00 39.51 O HETATM 1553 O HOH A2059 -29.241 24.981 22.173 1.00 18.41 O HETATM 1554 O HOH A2060 -36.411 24.455 21.861 1.00 19.85 O HETATM 1555 O HOH A2061 -39.378 23.252 20.682 1.00 17.03 O HETATM 1556 O HOH A2062 -37.902 18.728 20.431 1.00 34.72 O HETATM 1557 O HOH A2063 -38.293 15.259 18.482 1.00 29.82 O HETATM 1558 O HOH A2064 -33.773 29.948 18.797 1.00 7.89 O HETATM 1559 O HOH A2065 -33.957 29.784 14.155 1.00 27.25 O HETATM 1560 O HOH A2066 -38.901 25.608 17.758 1.00 30.86 O HETATM 1561 O HOH A2067 -36.695 24.721 14.209 1.00 23.60 O HETATM 1562 O HOH A2068 -42.726 25.875 5.626 1.00 16.34 O HETATM 1563 O HOH A2069 -23.690 14.956 4.891 1.00 13.15 O HETATM 1564 O HOH A2070 -21.638 13.585 -3.129 1.00 25.46 O HETATM 1565 O HOH A2071 -20.211 11.523 -1.562 1.00 24.03 O HETATM 1566 O HOH A2072 -16.884 8.267 -0.318 1.00 27.55 O HETATM 1567 O HOH A2073 -18.709 1.490 2.451 1.00 25.21 O HETATM 1568 O HOH A2074 -17.943 0.541 -0.967 1.00 53.15 O HETATM 1569 O HOH A2075 -13.194 3.032 -2.270 1.00 29.64 O HETATM 1570 O HOH A2076 -12.403 -1.267 6.302 1.00 40.80 O HETATM 1571 O HOH A2077 -18.826 -1.024 5.160 1.00 23.88 O HETATM 1572 O HOH A2078 -14.780 5.790 5.890 1.00 66.11 O HETATM 1573 O HOH A2079 -15.538 -3.321 8.254 1.00 15.20 O HETATM 1574 O HOH A2080 -30.300 9.100 16.278 1.00 22.97 O HETATM 1575 O HOH A2081 -35.098 2.050 15.899 1.00 15.94 O HETATM 1576 O HOH A2082 -29.932 6.844 17.167 1.00 21.55 O HETATM 1577 O HOH A2083 -36.783 10.924 17.581 1.00 31.43 O HETATM 1578 O HOH A2084 -35.592 13.184 16.777 1.00 21.91 O HETATM 1579 O HOH A2085 -37.081 3.734 16.141 1.00 21.11 O HETATM 1580 O HOH A2086 -37.712 7.670 18.205 1.00 36.34 O HETATM 1581 O HOH A2087 -42.393 16.899 14.325 1.00 22.36 O HETATM 1582 O HOH A2088 -47.397 11.874 13.105 1.00 35.33 O HETATM 1583 O HOH A2089 -40.361 8.036 10.873 1.00 15.16 O HETATM 1584 O HOH A2090 -42.448 9.233 14.664 1.00 32.24 O HETATM 1585 O HOH A2091 -42.528 13.501 15.479 1.00 23.27 O HETATM 1586 O HOH A2092 -50.521 23.068 7.167 1.00 20.70 O HETATM 1587 O HOH A2093 -49.060 12.692 1.390 1.00 25.39 O HETATM 1588 O HOH A2094 -45.707 12.069 -6.283 1.00 33.91 O HETATM 1589 O HOH A2095 -49.626 19.870 -7.763 1.00 12.28 O HETATM 1590 O HOH A2096 -45.692 21.306 -6.685 1.00 27.42 O HETATM 1591 O HOH A2097 -44.117 19.761 -7.167 1.00 10.73 O HETATM 1592 O HOH A2098 -40.949 20.572 -8.354 1.00 22.03 O HETATM 1593 O HOH A2099 -41.221 23.819 -6.527 1.00 44.41 O HETATM 1594 O HOH B2001 -15.214 16.591 19.247 1.00 45.37 O HETATM 1595 O HOH B2002 -24.577 19.418 20.183 1.00 65.05 O HETATM 1596 O HOH B2003 -17.420 24.219 16.756 1.00 56.96 O HETATM 1597 O HOH B2004 -17.546 22.620 25.783 1.00 35.54 O HETATM 1598 O HOH B2005 -26.029 20.211 17.407 1.00 71.06 O HETATM 1599 O HOH B2006 -26.654 25.115 16.464 1.00 16.21 O HETATM 1600 O HOH B2007 -20.530 27.069 15.633 1.00 30.11 O HETATM 1601 O HOH B2008 -28.212 29.664 11.213 1.00 26.63 O HETATM 1602 O HOH B2009 -28.002 30.367 13.224 1.00 30.93 O HETATM 1603 O HOH B2010 -25.195 30.526 13.439 1.00 61.50 O HETATM 1604 O HOH B2011 -30.795 31.054 9.786 1.00 42.81 O HETATM 1605 O HOH B2012 -25.961 29.045 3.465 1.00 27.16 O HETATM 1606 O HOH B2013 -25.937 29.848 5.264 1.00 39.08 O HETATM 1607 O HOH B2014 -39.673 30.275 5.864 1.00 36.46 O HETATM 1608 O HOH B2015 -29.290 26.790 -7.473 1.00 32.80 O HETATM 1609 O HOH B2016 -37.541 24.448 -5.188 1.00 34.34 O CONECT 1483 1484 1485 CONECT 1484 1483 CONECT 1485 1483 1486 1487 CONECT 1486 1485 CONECT 1487 1485 1488 CONECT 1488 1487 CONECT 1489 1490 1491 CONECT 1490 1489 CONECT 1491 1489 1492 1493 CONECT 1492 1491 CONECT 1493 1491 1494 CONECT 1494 1493 MASTER 543 0 11 10 0 0 12 6 1593 2 12 16 END
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Related entries of code: 2wh6
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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22aa, >3KJ2_2|Chain... at 90%
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26aa, >5WOS_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1gng
RCSB PDB
PDBbind
26-mer
3ixt
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PDBbind
26-mer
3mhp
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
26-mer
Entry Information
PDB ID
2wh6
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
BHRF1 PROTEIN
Ligand Name
26-mer
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Kd=18nM
Release Year
2010
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) Plos Pathog. Vol. 6: pp. E1236-e1001236
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P0C6Z1
O43521
Entrez Gene ID
NCBI Entrez Gene ID:
3783706
5176205
10018
ASD
Information of known allosteric effects of PDB entries
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