USER MOD reduce.3.24.130724 H: found=0, std=0, add=2945, rem=0, adj=92 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSCRIPTION 08-FEB-17 5PZJ TITLE PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SP100 AFTER TITLE 2 INITIAL REFINEMENT WITH NO LIGAND MODELLED (STRUCTURE 115) COMPND MOL_ID: 1; COMPND 2 MOLECULE: NUCLEAR AUTOANTIGEN SP-100; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: NUCLEAR DOT-ASSOCIATED SP100 PROTEIN,SPECKLED 100 KDA; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: SP100; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS PANDDA, SGC - DIAMOND I04-1 FRAGMENT SCREENING, BROMODOMAIN, KEYWDS 2 EPIGENETICS, XCHEMEXPLORER, TRANSCRIPTION EXPDTA X-RAY DIFFRACTION AUTHOR N.M.PEARCE,T.KROJER,R.TALON,A.R.BRADLEY,M.FAIRHEAD,R.SETHI,N.WRIGHT, AUTHOR 2 E.MACLEAN,P.COLLINS,J.BRANDAO-NETO,A.DOUANGAMATH,Z.RENJIE,A.DIAS, AUTHOR 3 J.NG,P.E.BRENNAN,O.COX,C.BOUNTRA,C.H.ARROWSMITH,A.EDWARDS,F.VON AUTHOR 4 DELFT REVDAT 1 22-MAR-17 5PZJ 0 JRNL AUTH N.M.PEARCE,T.KROJER,A.R.BRADLEY,P.COLLINS,R.NOWAK,R.TALON, JRNL AUTH 2 B.MARSDEN,S.KELM,J.SHI,D.DEANE,F.VON DELFT JRNL TITL A MULTI-CRYSTAL METHOD FOR EXTRACTING OBSCURED JRNL TITL 2 CRYSTALLOGRAPHIC STATES FROM CONVENTIONALLY UNINTERPRETABLE JRNL TITL 3 ELECTRON DENSITY JRNL REF NAT COMMUN 2017 JRNL REFN ESSN 2041-1723 REMARK 2 REMARK 2 RESOLUTION. 1.72 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.8.0135 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) : 1.72 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 39.05 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.0 REMARK 3 NUMBER OF REFLECTIONS : 46891 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) : 0.174 REMARK 3 R VALUE (WORKING SET) : 0.172 REMARK 3 FREE R VALUE : 0.209 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2445 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) : 1.72 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.77 REMARK 3 REFLECTION IN BIN (WORKING SET) : 3475 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.76 REMARK 3 BIN R VALUE (WORKING SET) : 0.2960 REMARK 3 BIN FREE R VALUE SET COUNT : 200 REMARK 3 BIN FREE R VALUE : 0.3200 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2925 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 25 REMARK 3 SOLVENT ATOMS : 579 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 32.67 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.18000 REMARK 3 B22 (A**2) : 0.37000 REMARK 3 B33 (A**2) : 0.54000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.52000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.101 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.102 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.079 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.560 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.968 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.957 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 3125 ; 0.021 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 2888 ; 0.002 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 4223 ; 1.887 ; 1.936 REMARK 3 BOND ANGLES OTHERS (DEGREES): 6681 ; 1.100 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 386 ; 6.384 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 170 ;36.547 ;24.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 574 ;13.124 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 24 ;16.026 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 433 ; 0.133 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 3560 ; 0.010 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 792 ; 0.002 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1452 ; 3.645 ; 2.991 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 1451 ; 3.640 ; 2.987 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1820 ; 5.583 ; 4.462 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS U VALUES : REFINED INDIVIDUALLY REMARK 4 REMARK 4 5PZJ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-MAR-17. REMARK 100 THE DEPOSITION ID IS D_1001401309. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 02-APR-15 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : DIAMOND REMARK 200 BEAMLINE : I04-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : 0.9200 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS 2M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : AIMLESS 0.3.11 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 49336 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.720 REMARK 200 RESOLUTION RANGE LOW (A) : 39.050 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.3 REMARK 200 DATA REDUNDANCY : 3.400 REMARK 200 R MERGE (I) : 0.06700 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 12.5000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.72 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.76 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.0 REMARK 200 DATA REDUNDANCY IN SHELL : 3.50 REMARK 200 R MERGE FOR SHELL (I) : 0.62000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS REMARK 200 SOFTWARE USED: REFMAC REMARK 200 STARTING MODEL: 4PTB REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 55.50 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.76 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M MES PH 6.1 -- 20% PEG20K, PH 7, REMARK 280 VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 63.90000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 22.75000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 63.90000 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 22.75000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLU A 700 REMARK 465 LYS A 879 REMARK 465 THR B 877 REMARK 465 SER B 878 REMARK 465 LYS B 879 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS A 737 CG CD CE NZ REMARK 470 GLU B 700 CG CD OE1 OE2 REMARK 470 GLU B 756 CG CD OE1 OE2 REMARK 470 SER B 757 OG REMARK 470 GLN B 758 CG CD OE1 NE2 REMARK 470 SER B 759 OG REMARK 470 ARG B 803 CG CD NE CZ NH1 NH2 REMARK 470 GLU B 804 CG CD OE1 OE2 REMARK 470 SER B 806 OG REMARK 470 GLN B 807 CG CD OE1 NE2 REMARK 470 GLU B 876 CG CD OE1 OE2 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 O2 EDO B 903 O HOH B 1001 1.67 REMARK 500 NH2 ARG A 803 O HOH A 1001 1.79 REMARK 500 NH1 ARG A 829 O HOH A 1002 1.97 REMARK 500 O HOH B 1166 O HOH B 1174 1.97 REMARK 500 O HOH A 1151 O HOH A 1228 2.06 REMARK 500 O HOH A 1184 O HOH A 1228 2.08 REMARK 500 O HOH B 1018 O HOH B 1020 2.09 REMARK 500 NH1 ARG A 803 O HOH A 1003 2.10 REMARK 500 O HOH A 1090 O HOH A 1283 2.11 REMARK 500 O HOH A 1227 O HOH A 1247 2.12 REMARK 500 O HOH A 1149 O HOH A 1257 2.14 REMARK 500 O HOH A 1151 O HOH A 1155 2.16 REMARK 500 O HOH A 1096 O HOH A 1217 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH B 1216 O HOH B 1216 2555 1.21 REMARK 500 O HOH A 1040 O HOH A 1217 1565 2.02 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 B 780 CD GLU B 780 OE2 0.073 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 CYS A 742 CA - CB - SG ANGL. DEV. = 9.3 DEGREES REMARK 500 CYS A 754 CA - CB - SG ANGL. DEV. = 8.3 DEGREES REMARK 500 ARG A 803 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 ARG A 803 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES REMARK 500 ARG A 829 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 ARG A 829 NE - CZ - NH2 ANGL. DEV. = -4.4 DEGREES REMARK 500 ARG B 855 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 ARG B 855 NE - CZ - NH2 ANGL. DEV. = -3.4 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASN A 736 -131.25 -113.01 REMARK 500 LYS A 737 93.79 69.07 REMARK 500 ASN A 802 87.23 -150.21 REMARK 500 ARG A 849 -116.89 50.88 REMARK 500 ASN B 738 100.16 -167.09 REMARK 500 CYS B 754 87.21 -151.71 REMARK 500 PRO B 755 98.03 -59.64 REMARK 500 SER B 757 -171.85 -55.13 REMARK 500 GLN B 758 46.37 -65.52 REMARK 500 TYR B 801 -96.13 -117.15 REMARK 500 GLU B 804 -86.56 -124.66 REMARK 500 ARG B 849 -113.47 48.82 REMARK 500 GLN B 875 137.90 -36.69 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 PRO B 755 GLU B 756 147.17 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A1314 DISTANCE = 6.51 ANGSTROMS REMARK 525 HOH B1261 DISTANCE = 5.94 ANGSTROMS REMARK 525 HOH B1262 DISTANCE = 5.99 ANGSTROMS REMARK 525 HOH B1263 DISTANCE = 6.03 ANGSTROMS REMARK 525 HOH B1264 DISTANCE = 6.24 ANGSTROMS REMARK 525 HOH B1265 DISTANCE = 6.70 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 901 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 705 SG REMARK 620 2 CYS A 708 SG 112.5 REMARK 620 3 HIS A 725 ND1 100.3 98.4 REMARK 620 4 CYS A 728 SG 111.2 118.6 113.7 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 902 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 717 SG REMARK 620 2 CYS A 720 SG 109.2 REMARK 620 3 CYS A 742 SG 114.2 104.8 REMARK 620 4 CYS A 745 SG 104.4 106.3 117.6 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 903 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 754 SG REMARK 620 2 CYS A 754 SG 50.6 REMARK 620 3 GLU A 756 OE2 130.7 80.2 REMARK 620 N 1 2 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 901 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 705 SG REMARK 620 2 CYS B 708 SG 114.0 REMARK 620 3 HIS B 725 ND1 102.4 95.9 REMARK 620 4 CYS B 728 SG 109.7 117.5 115.9 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 902 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 717 SG REMARK 620 2 CYS B 720 SG 110.5 REMARK 620 3 CYS B 742 SG 112.6 106.7 REMARK 620 4 CYS B 745 SG 105.1 105.8 116.1 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 901 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 902 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 903 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue MES A 904 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue EDO A 905 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN B 901 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN B 902 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue EDO B 903 DBREF 5PZJ A 700 879 UNP P23497 SP100_HUMAN 700 879 DBREF 5PZJ B 700 879 UNP P23497 SP100_HUMAN 700 879 SEQRES 1 A 180 GLU ASN SER ASN ILE CYS GLU VAL CYS ASN LYS TRP GLY SEQRES 2 A 180 ARG LEU PHE CYS CYS ASP THR CYS PRO ARG SER PHE HIS SEQRES 3 A 180 GLU HIS CYS HIS ILE PRO SER VAL GLU ALA ASN LYS ASN SEQRES 4 A 180 PRO TRP SER CYS ILE PHE CYS ARG ILE LYS THR ILE GLN SEQRES 5 A 180 GLU ARG CYS PRO GLU SER GLN SER GLY HIS GLN GLU SER SEQRES 6 A 180 GLU VAL LEU MET ARG GLN MET LEU PRO GLU GLU GLN LEU SEQRES 7 A 180 LYS CYS GLU PHE LEU LEU LEU LYS VAL TYR CYS ASP SER SEQRES 8 A 180 LYS SER CYS PHE PHE ALA SER GLU PRO TYR TYR ASN ARG SEQRES 9 A 180 GLU GLY SER GLN GLY PRO GLN LYS PRO MET TRP LEU ASN SEQRES 10 A 180 LYS VAL LYS THR SER LEU ASN GLU GLN MET TYR THR ARG SEQRES 11 A 180 VAL GLU GLY PHE VAL GLN ASP MET ARG LEU ILE PHE HIS SEQRES 12 A 180 ASN HIS LYS GLU PHE TYR ARG GLU ASP LYS PHE THR ARG SEQRES 13 A 180 LEU GLY ILE GLN VAL GLN ASP ILE PHE GLU LYS ASN PHE SEQRES 14 A 180 ARG ASN ILE PHE ALA ILE GLN GLU THR SER LYS SEQRES 1 B 180 GLU ASN SER ASN ILE CYS GLU VAL CYS ASN LYS TRP GLY SEQRES 2 B 180 ARG LEU PHE CYS CYS ASP THR CYS PRO ARG SER PHE HIS SEQRES 3 B 180 GLU HIS CYS HIS ILE PRO SER VAL GLU ALA ASN LYS ASN SEQRES 4 B 180 PRO TRP SER CYS ILE PHE CYS ARG ILE LYS THR ILE GLN SEQRES 5 B 180 GLU ARG CYS PRO GLU SER GLN SER GLY HIS GLN GLU SER SEQRES 6 B 180 GLU VAL LEU MET ARG GLN MET LEU PRO GLU GLU GLN LEU SEQRES 7 B 180 LYS CYS GLU PHE LEU LEU LEU LYS VAL TYR CYS ASP SER SEQRES 8 B 180 LYS SER CYS PHE PHE ALA SER GLU PRO TYR TYR ASN ARG SEQRES 9 B 180 GLU GLY SER GLN GLY PRO GLN LYS PRO MET TRP LEU ASN SEQRES 10 B 180 LYS VAL LYS THR SER LEU ASN GLU GLN MET TYR THR ARG SEQRES 11 B 180 VAL GLU GLY PHE VAL GLN ASP MET ARG LEU ILE PHE HIS SEQRES 12 B 180 ASN HIS LYS GLU PHE TYR ARG GLU ASP LYS PHE THR ARG SEQRES 13 B 180 LEU GLY ILE GLN VAL GLN ASP ILE PHE GLU LYS ASN PHE SEQRES 14 B 180 ARG ASN ILE PHE ALA ILE GLN GLU THR SER LYS HET ZN A 901 1 HET ZN A 902 1 HET ZN A 903 1 HET MES A 904 12 HET EDO A 905 4 HET ZN B 901 1 HET ZN B 902 1 HET EDO B 903 4 HETNAM ZN ZINC ION HETNAM MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID HETNAM EDO 1,2-ETHANEDIOL HETSYN EDO ETHYLENE GLYCOL FORMUL 3 ZN 5(ZN 2+) FORMUL 6 MES C6 H13 N O4 S FORMUL 7 EDO 2(C2 H6 O2) FORMUL 11 HOH *579(H2 O) HELIX 1 AA1 CYS A 742 CYS A 754 1 13 HELIX 2 AA2 PRO A 755 SER A 759 5 5 HELIX 3 AA3 GLN A 762 ARG A 769 1 8 HELIX 4 AA4 LEU A 772 CYS A 788 1 17 HELIX 5 AA5 ASP A 789 LYS A 791 5 3 HELIX 6 AA6 SER A 792 SER A 797 1 6 HELIX 7 AA7 TRP A 814 GLU A 824 1 11 HELIX 8 AA8 ARG A 829 ARG A 849 1 21 HELIX 9 AA9 PHE A 853 PHE A 872 1 20 HELIX 10 AB1 CYS B 742 GLU B 752 1 11 HELIX 11 AB2 GLN B 762 ARG B 769 1 8 HELIX 12 AB3 LEU B 772 CYS B 788 1 17 HELIX 13 AB4 ASP B 789 LYS B 791 5 3 HELIX 14 AB5 SER B 792 SER B 797 1 6 HELIX 15 AB6 TRP B 814 GLU B 824 1 11 HELIX 16 AB7 ARG B 829 ARG B 849 1 21 HELIX 17 AB8 PHE B 853 PHE B 872 1 20 SHEET 1 AA1 2 LEU A 714 CYS A 716 0 SHEET 2 AA1 2 SER A 723 HIS A 725 -1 O PHE A 724 N PHE A 715 SHEET 1 AA2 2 LEU B 714 CYS B 716 0 SHEET 2 AA2 2 SER B 723 HIS B 725 -1 O PHE B 724 N PHE B 715 LINK SG CYS A 705 ZN ZN A 901 1555 1555 2.26 LINK SG CYS A 708 ZN ZN A 901 1555 1555 2.30 LINK SG CYS A 717 ZN ZN A 902 1555 1555 2.22 LINK SG CYS A 720 ZN ZN A 902 1555 1555 2.19 LINK ND1 HIS A 725 ZN ZN A 901 1555 1555 2.18 LINK SG CYS A 728 ZN ZN A 901 1555 1555 2.24 LINK SG CYS A 742 ZN ZN A 902 1555 1555 2.40 LINK SG CYS A 745 ZN ZN A 902 1555 1555 2.39 LINK SG ACYS A 754 ZN ZN A 903 1555 1555 2.54 LINK SG BCYS A 754 ZN ZN A 903 1555 1555 2.81 LINK OE2 GLU A 756 ZN ZN A 903 1555 1555 1.90 LINK SG CYS B 705 ZN ZN B 901 1555 1555 2.28 LINK SG CYS B 708 ZN ZN B 901 1555 1555 2.30 LINK SG CYS B 717 ZN ZN B 902 1555 1555 2.19 LINK SG CYS B 720 ZN ZN B 902 1555 1555 2.30 LINK ND1 HIS B 725 ZN ZN B 901 1555 1555 2.16 LINK SG CYS B 728 ZN ZN B 901 1555 1555 2.27 LINK SG CYS B 742 ZN ZN B 902 1555 1555 2.37 LINK SG CYS B 745 ZN ZN B 902 1555 1555 2.35 CISPEP 1 ILE A 730 PRO A 731 0 -14.20 CISPEP 2 ASN A 738 PRO A 739 0 -5.54 CISPEP 3 ILE B 730 PRO B 731 0 -15.99 CISPEP 4 ASN B 738 PRO B 739 0 15.20 CISPEP 5 ARG B 803 GLU B 804 0 -15.79 SITE *** AC1 4 CYS A 705 CYS A 708 HIS A 725 CYS A 728 SITE *** AC2 4 CYS A 717 CYS A 720 CYS A 742 CYS A 745 SITE *** AC3 2 CYS A 754 GLU A 756 SITE *** AC4 13 ASN A 802 ARG A 803 TYR A 848 HOH A1001 SITE *** AC4 13 HOH A1040 HOH A1041 HOH A1103 HOH A1155 SITE *** AC4 13 HOH A1184 HOH A1228 ARG B 753 GLU B 774 SITE *** AC4 13 EDO B 903 SITE *** AC5 6 GLU A 763 SER A 764 ARG A 838 HOH A1019 SITE *** AC5 6 HOH A1094 HOH A1247 SITE *** AC6 4 CYS B 705 CYS B 708 HIS B 725 CYS B 728 SITE *** AC7 4 CYS B 717 CYS B 720 CYS B 742 CYS B 745 SITE *** AC8 8 ARG A 803 MES A 904 ARG B 746 PRO B 773 SITE *** AC8 8 GLU B 774 HOH B1001 HOH B1017 HOH B1056 CRYST1 127.800 45.500 83.600 90.00 102.04 90.00 C 1 2 1 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.007825 0.000000 0.001669 0.00000 SCALE2 0.000000 0.021978 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012231 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 725 HIS HD1 : A 725 HIS ND1 : A 901 ZNZN :(H bumps) USER MOD NoAdj-H: B 725 HIS HD1 : B 725 HIS ND1 : B 901 ZNZN :(H bumps) USER MOD Set 1.1: B 791 LYS NZ :NH3+ -179:sc= 1.43 (180deg=1.15) USER MOD Set 1.2: B 859 GLN : amide:sc= 0.212 K(o=1.6,f=-0.6) USER MOD Set 2.1: B 813 MET CE :methyl 148:sc= -0.437 (180deg=-0.896) USER MOD Set 2.2: B 817 LYS NZ :NH3+ -159:sc=-0.00709 (180deg=0) USER MOD Set 3.1: B 787 TYR OH : rot -18:sc= 1.26 USER MOD Set 3.2: B 816 ASN : amide:sc= 1.4 X(o=2.7,f=2.5) USER MOD Set 4.1: B 785 LYS NZ :NH3+ -166:sc= 0.434 (180deg=0) USER MOD Set 4.2: B 867 ASN : amide:sc= 1.29 K(o=1.7,f=-0.85) USER MOD Set 5.1: B 771 MET CE :methyl 172:sc= 0 (180deg=-0.0486) USER MOD Set 5.2: B 776 GLN : amide:sc= 2 K(o=2.3,f=-0.44) USER MOD Set 5.3: B 779 CYS SG : rot -101:sc= 0.277 USER MOD Set 6.1: B 762 GLN : amide:sc= -0.376 K(o=-0.52,f=-2.4!) USER MOD Set 6.2: B 875 GLN : amide:sc= -0.142 X(o=-0.52,f=-0.76) USER MOD Set 7.1: B 727 HIS : no HD1:sc= 0.687 K(o=1.5,f=-1.8) USER MOD Set 7.2: B 732 SER OG : rot -122:sc= 0.85 USER MOD Set 8.1: B 716 CYS SG A: rot -64:sc= 0.187 USER MOD Set 8.2: B 723 SER OG : rot 146:sc= 1.04 USER MOD Set 9.1: B 719 THR OG1 : rot 83:sc= 2.28 USER MOD Set 9.2: B 741 SER OG : rot -72:sc= 1.28 USER MOD Set10.1: A 791 LYS NZ :NH3+ -176:sc= 1.87 (180deg=0.837) USER MOD Set10.2: A 859 GLN : amide:sc= 0.863 K(o=2.7,f=-5.1!) USER MOD Set11.1: A 787 TYR OH : rot -10:sc= 1.27 USER MOD Set11.2: A 816 ASN : amide:sc= 1.74 X(o=3,f=2.6) USER MOD Set12.1: A 771 MET CE :methyl 175:sc= 0 (180deg=-0.0262) USER MOD Set12.2: A 779 CYS SG : rot -100:sc= 0.323 USER MOD Set13.1: A 736 ASN : amide:sc= 0 K(o=-1,f=-2.4) USER MOD Set13.2: A 738 ASN : amide:sc= -1 K(o=-1,f=-3.3!) USER MOD Set14.1: A 727 HIS : no HD1:sc= 0.813 K(o=1.8,f=-3.3!) USER MOD Set14.2: A 732 SER OG : rot -118:sc= 1.01 USER MOD Set15.1: A 719 THR OG1 : rot 80:sc= 2.6 USER MOD Set15.2: A 741 SER OG : rot -54:sc= 1.21 USER MOD Set16.1: A 716 CYS SG : rot -43:sc= -0.911 USER MOD Set16.2: A 723 SER OG : rot 141:sc= 1.36 USER MOD Single : A 701 ASN : amide:sc= -1.51 X(o=-1.5,f=-1.9) USER MOD Single : A 702 SER OG : rot 180:sc= 0 USER MOD Single : A 703 ASN : amide:sc=-0.00211 X(o=-0.0021,f=-0.34) USER MOD Single : A 709 ASN : amide:sc= 0.295 X(o=0.29,f=0.006) USER MOD Single : A 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 HIS : no HE2:sc= 1.92 K(o=1.9,f=-9!) USER MOD Single : A 748 LYS NZ :NH3+ -173:sc= -0.0107 (180deg=-0.0492) USER MOD Single : A 749 THR OG1 : rot 76:sc= 0.175 USER MOD Single : A 751 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 754 CYS SG B: rot 180:sc= -0.667 USER MOD Single : A 757 SER OG : rot -81:sc= 1.92 USER MOD Single : A 758 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 759 SER OG : rot 176:sc= 1.24 USER MOD Single : A 761 HIS : no HE2:sc= -0.617 K(o=-0.62,f=-1.5) USER MOD Single : A 762 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 764 SER OG : rot -84:sc= 0.0367 USER MOD Single : A 768 MET CE :methyl 167:sc= -0.0752 (180deg=-0.411) USER MOD Single : A 770 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 776 GLN : amide:sc= 2.54 K(o=2.5,f=-0.26) USER MOD Single : A 778 LYS NZ A:NH3+ 139:sc= -0.73 (180deg=-1.91) USER MOD Single : A 778 LYS NZ B:NH3+ 172:sc= 1.14 (180deg=1.1) USER MOD Single : A 785 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 788 CYS SG : rot 64:sc= 0.0159 USER MOD Single : A 790 SER OG : rot -99:sc= 0.0062 USER MOD Single : A 792 SER OG : rot -80:sc= 1.83 USER MOD Single : A 793 CYS SG : rot -82:sc= 0.0425 USER MOD Single : A 797 SER OG : rot 108:sc= 0.75 USER MOD Single : A 800 TYR OH : rot 180:sc= 0 USER MOD Single : A 801 TYR OH : rot 11:sc= 2.32 USER MOD Single : A 802 ASN : amide:sc= -0.0619 K(o=-0.062,f=-2.1!) USER MOD Single : A 806 SER OG : rot -151:sc= 0.878 USER MOD Single : A 807 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.56) USER MOD Single : A 810 GLN : amide:sc=-0.00828 X(o=-0.0083,f=-0.17) USER MOD Single : A 811 LYS NZ :NH3+ -145:sc= 0.206 (180deg=0.0186) USER MOD Single : A 813 MET CE :methyl 162:sc= -0.0154 (180deg=-0.445) USER MOD Single : A 817 LYS NZ :NH3+ 166:sc= -0.0117 (180deg=-0.172) USER MOD Single : A 819 LYS NZ :NH3+ 178:sc= 0.374 (180deg=0.372) USER MOD Single : A 820 THR OG1 : rot 86:sc= 0.00152 USER MOD Single : A 821 SER OG : rot 73:sc= 1.22 USER MOD Single : A 823 ASN : amide:sc= 0.485 K(o=0.48,f=-2.3!) USER MOD Single : A 825 GLN : amide:sc= 1.08 X(o=1.1,f=0.62) USER MOD Single : A 826 MET CE A:methyl -157:sc= -0.331 (180deg=-0.922) USER MOD Single : A 826 MET CE B:methyl -125:sc= -3.74! (180deg=-4.28!) USER MOD Single : A 827 TYR OH : rot 14:sc= 1.33 USER MOD Single : A 828 THR OG1 : rot 123:sc= 1.42 USER MOD Single : A 835 GLN : amide:sc= 1.05 K(o=1.1,f=-0.22) USER MOD Single : A 837 MET CE :methyl -167:sc=-0.00126 (180deg=-0.125) USER MOD Single : A 842 HIS : no HE2:sc= 1.78 K(o=1.8,f=-5.5!) USER MOD Single : A 843 ASN : amide:sc= 2.98 K(o=3,f=0.78) USER MOD Single : A 844 HIS : no HD1:sc= 1.54 K(o=1.5,f=-4.3!) USER MOD Single : A 845 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 845 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 848 TYR OH : rot 30:sc= 0.719 USER MOD Single : A 852 LYS NZ :NH3+ -158:sc= 0.782 (180deg=0.531) USER MOD Single : A 854 THR OG1A: rot 180:sc= 0 USER MOD Single : A 854 THR OG1B: rot -77:sc= 0.145 USER MOD Single : A 861 GLN : amide:sc= 1.03 K(o=1,f=0.012) USER MOD Single : A 866 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 867 ASN : amide:sc= 2.38 K(o=2.4,f=1.1) USER MOD Single : A 870 ASN : amide:sc= 1.05 K(o=1,f=0.12) USER MOD Single : A 875 GLN : amide:sc= 0.0839 X(o=0.084,f=-0.12) USER MOD Single : A 877 THR OG1 : rot 180:sc= 0 USER MOD Single : A 878 SER OG : rot 180:sc= 0.0115 USER MOD Single : A 905 EDO O1 : rot -63:sc= 1.22 USER MOD Single : A 905 EDO O2 : rot 180:sc= 0 USER MOD Single : B 701 ASN : amide:sc= -1.25 X(o=-1.2,f=-1.2) USER MOD Single : B 702 SER OG : rot 180:sc= 0.168 USER MOD Single : B 703 ASN : amide:sc= 0.149 K(o=0.15,f=-3.7!) USER MOD Single : B 709 ASN : amide:sc= 0.0168 X(o=0.017,f=0) USER MOD Single : B 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 716 CYS SG B: rot 18:sc= 0.582 USER MOD Single : B 729 HIS : no HE2:sc= 1.85 K(o=1.8,f=-7.8!) USER MOD Single : B 736 ASN : amide:sc= -0.0982 K(o=-0.098,f=-3.2!) USER MOD Single : B 737 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 738 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : B 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 749 THR OG1 : rot 86:sc= 0.295 USER MOD Single : B 751 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : B 754 CYS SG : rot 180:sc= 0 USER MOD Single : B 761 HIS : no HE2:sc= 0.377 K(o=0.38,f=-1.5) USER MOD Single : B 764 SER OG A: rot 180:sc= 0 USER MOD Single : B 764 SER OG B: rot 180:sc= 0 USER MOD Single : B 768 MET CE :methyl -171:sc= -0.493 (180deg=-0.656) USER MOD Single : B 770 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : B 778 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 788 CYS SG : rot 65:sc= 0.164 USER MOD Single : B 790 SER OG : rot -119:sc= 0.00612 USER MOD Single : B 792 SER OG : rot -80:sc= 1.87 USER MOD Single : B 793 CYS SG : rot -84:sc= 0.00991 USER MOD Single : B 797 SER OG : rot 180:sc= 0 USER MOD Single : B 800 TYR OH : rot 180:sc= -0.137 USER MOD Single : B 801 TYR OH : rot 49:sc= 2.11! USER MOD Single : B 802 ASN : amide:sc= 0.208 X(o=0.21,f=0) USER MOD Single : B 810 GLN : amide:sc= 0 X(o=0,f=-0.0068) USER MOD Single : B 811 LYS NZ :NH3+ -170:sc= 0.0874 (180deg=0.0679) USER MOD Single : B 819 LYS NZ :NH3+ -174:sc= 0.331 (180deg=0.309) USER MOD Single : B 820 THR OG1 : rot 74:sc= 0.98 USER MOD Single : B 821 SER OG : rot 77:sc= 1.28 USER MOD Single : B 823 ASN : amide:sc= 2.12 X(o=2.1,f=1.8) USER MOD Single : B 825 GLN : amide:sc= 1.44 K(o=1.4,f=-3.1!) USER MOD Single : B 826 MET CE A:methyl -177:sc= 0 (180deg=-0.00644) USER MOD Single : B 826 MET CE B:methyl 176:sc= -0.11 (180deg=-0.136) USER MOD Single : B 827 TYR OH : rot -8:sc= 1.35 USER MOD Single : B 828 THR OG1 : rot 180:sc= 0 USER MOD Single : B 835 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : B 837 MET CE :methyl -167:sc= -0.0136 (180deg=-0.163) USER MOD Single : B 842 HIS : no HD1:sc= -0.0751 X(o=-0.075,f=-0.0015) USER MOD Single : B 843 ASN : amide:sc= 1.67 K(o=1.7,f=-0.45!) USER MOD Single : B 844 HIS : no HD1:sc= 1.37 K(o=1.4,f=-4.2!) USER MOD Single : B 845 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 848 TYR OH : rot 30:sc= 0.946 USER MOD Single : B 852 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 854 THR OG1A: rot 180:sc= 0 USER MOD Single : B 854 THR OG1B: rot -78:sc= 1.23 USER MOD Single : B 861 GLN : amide:sc= 0.187 K(o=0.19,f=-0.44) USER MOD Single : B 866 LYS NZ :NH3+ -176:sc= 1.11 (180deg=0.944) USER MOD Single : B 870 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 903 EDO O1 : rot 70:sc= 1.34 USER MOD Single : B 903 EDO O2 : rot -30:sc= 0.532 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 701 14.621 -4.984 -4.076 1.00 58.55 N ATOM 2 CA ASN A 701 15.185 -4.038 -3.057 1.00 62.28 C ATOM 3 C ASN A 701 14.135 -3.052 -2.541 1.00 62.01 C ATOM 4 O ASN A 701 13.196 -2.707 -3.253 1.00 48.02 O ATOM 5 CB ASN A 701 16.364 -3.236 -3.617 1.00 64.28 C ATOM 6 CG ASN A 701 17.622 -4.053 -3.728 1.00 72.99 C ATOM 7 OD1 ASN A 701 18.031 -4.381 -4.835 1.00 81.47 O ATOM 8 ND2 ASN A 701 18.264 -4.368 -2.588 1.00 67.25 N ATOM 0 HA ASN A 701 15.488 -4.595 -2.323 1.00 62.28 H new ATOM 0 HB2 ASN A 701 16.129 -2.891 -4.492 1.00 64.28 H new ATOM 0 HB3 ASN A 701 16.530 -2.470 -3.045 1.00 64.28 H new ATOM 0 HD21 ASN A 701 18.996 -4.819 -2.617 1.00 67.25 H new ATOM 0 HD22 ASN A 701 17.943 -4.118 -1.830 1.00 67.25 H new ATOM 9 N SER A 702 14.321 -2.595 -1.304 1.00 53.06 N ATOM 10 CA SER A 702 13.527 -1.508 -0.748 1.00 50.87 C ATOM 11 C SER A 702 13.735 -0.207 -1.576 1.00 45.95 C ATOM 12 O SER A 702 14.794 0.015 -2.173 1.00 47.87 O ATOM 13 CB SER A 702 13.884 -1.313 0.750 1.00 48.09 C ATOM 14 OG SER A 702 13.036 -0.355 1.425 1.00 44.17 O ATOM 0 H SER A 702 14.913 -2.909 -0.765 1.00 53.06 H new ATOM 0 HA SER A 702 12.585 -1.731 -0.801 1.00 50.87 H new ATOM 0 HB2 SER A 702 13.820 -2.168 1.204 1.00 48.09 H new ATOM 0 HB3 SER A 702 14.807 -1.023 0.820 1.00 48.09 H new ATOM 0 HG SER A 702 13.271 -0.290 2.229 1.00 44.17 H new ATOM 15 N ASN A 703 12.683 0.621 -1.603 1.00 45.60 N ATOM 16 CA ASN A 703 12.638 1.922 -2.284 1.00 49.92 C ATOM 17 C ASN A 703 12.854 3.082 -1.347 1.00 42.99 C ATOM 18 O ASN A 703 12.764 4.202 -1.805 1.00 37.87 O ATOM 19 CB ASN A 703 11.244 2.167 -2.934 1.00 57.82 C ATOM 20 CG ASN A 703 10.768 0.986 -3.748 1.00 74.79 C ATOM 21 OD1 ASN A 703 11.578 0.195 -4.273 1.00 87.10 O ATOM 22 ND2 ASN A 703 9.452 0.843 -3.860 1.00 82.61 N ATOM 0 H ASN A 703 11.944 0.430 -1.207 1.00 45.60 H new ATOM 0 HA ASN A 703 13.349 1.881 -2.943 1.00 49.92 H new ATOM 0 HB2 ASN A 703 10.596 2.359 -2.239 1.00 57.82 H new ATOM 0 HB3 ASN A 703 11.289 2.951 -3.503 1.00 57.82 H new ATOM 0 HD21 ASN A 703 9.128 0.185 -4.309 1.00 82.61 H new ATOM 0 HD22 ASN A 703 8.924 1.409 -3.484 1.00 82.61 H new ATOM 23 N ILE A 704 13.164 2.827 -0.051 1.00 36.53 N ATOM 24 CA ILE A 704 13.619 3.881 0.857 1.00 31.52 C ATOM 25 C ILE A 704 14.951 3.440 1.547 1.00 30.29 C ATOM 26 O ILE A 704 15.216 2.262 1.672 1.00 28.94 O ATOM 27 CB ILE A 704 12.539 4.290 1.912 1.00 35.39 C ATOM 28 CG1 ILE A 704 12.083 3.105 2.773 1.00 39.69 C ATOM 29 CG2 ILE A 704 11.295 4.844 1.198 1.00 39.59 C ATOM 30 CD1 ILE A 704 11.114 3.420 3.888 1.00 42.13 C ATOM 0 H ILE A 704 13.113 2.048 0.309 1.00 36.53 H new ATOM 0 HA ILE A 704 13.779 4.676 0.325 1.00 31.52 H new ATOM 0 HB ILE A 704 12.951 4.957 2.484 1.00 35.39 H new ATOM 0 HG12 ILE A 704 11.673 2.446 2.191 1.00 39.69 H new ATOM 0 HG13 ILE A 704 12.869 2.691 3.161 1.00 39.69 H new ATOM 0 HG21 ILE A 704 10.629 5.096 1.857 1.00 39.59 H new ATOM 0 HG22 ILE A 704 11.542 5.622 0.674 1.00 39.59 H new ATOM 0 HG23 ILE A 704 10.928 4.164 0.612 1.00 39.59 H new ATOM 0 HD11 ILE A 704 10.894 2.605 4.365 1.00 42.13 H new ATOM 0 HD12 ILE A 704 11.520 4.053 4.501 1.00 42.13 H new ATOM 0 HD13 ILE A 704 10.305 3.805 3.515 1.00 42.13 H new ATOM 31 N CYS A 705 15.737 4.423 1.917 1.00 27.54 N ATOM 32 CA CYS A 705 16.919 4.244 2.781 1.00 27.62 C ATOM 33 C CYS A 705 16.612 3.566 4.110 1.00 24.93 C ATOM 34 O CYS A 705 15.738 3.960 4.854 1.00 23.98 O ATOM 35 CB CYS A 705 17.576 5.572 2.999 1.00 26.30 C ATOM 36 SG CYS A 705 19.170 5.555 4.009 1.00 25.81 S ATOM 0 H CYS A 705 15.610 5.239 1.676 1.00 27.54 H new ATOM 0 HA CYS A 705 17.523 3.642 2.319 1.00 27.62 H new ATOM 0 HB2 CYS A 705 17.768 5.963 2.132 1.00 26.30 H new ATOM 0 HB3 CYS A 705 16.941 6.158 3.440 1.00 26.30 H new ATOM 37 N GLU A 706 17.390 2.537 4.428 1.00 25.11 N ATOM 38 CA GLU A 706 17.171 1.788 5.624 1.00 27.86 C ATOM 39 C GLU A 706 17.396 2.646 6.884 1.00 22.16 C ATOM 40 O GLU A 706 16.790 2.379 7.875 1.00 21.99 O ATOM 41 CB GLU A 706 18.172 0.614 5.644 1.00 30.73 C ATOM 42 CG GLU A 706 17.943 -0.337 6.770 1.00 32.60 C ATOM 43 CD GLU A 706 16.807 -1.290 6.516 1.00 37.04 C ATOM 44 OE1 GLU A 706 16.136 -1.227 5.472 1.00 47.81 O ATOM 45 OE2 GLU A 706 16.629 -2.151 7.345 1.00 38.01 O ATOM 0 H GLU A 706 18.052 2.266 3.951 1.00 25.11 H new ATOM 0 HA GLU A 706 16.252 1.477 5.631 1.00 27.86 H new ATOM 0 HB2 GLU A 706 18.112 0.132 4.804 1.00 30.73 H new ATOM 0 HB3 GLU A 706 19.074 0.967 5.705 1.00 30.73 H new ATOM 0 HG2 GLU A 706 18.755 -0.844 6.928 1.00 32.60 H new ATOM 0 HG3 GLU A 706 17.761 0.166 7.579 1.00 32.60 H new ATOM 46 N VAL A 707 18.271 3.633 6.813 1.00 23.12 N ATOM 47 CA VAL A 707 18.694 4.453 7.957 1.00 21.00 C ATOM 48 C VAL A 707 17.706 5.605 8.210 1.00 24.09 C ATOM 49 O VAL A 707 17.169 5.715 9.325 1.00 23.73 O ATOM 50 CB VAL A 707 20.108 5.002 7.788 1.00 20.19 C ATOM 51 CG1 VAL A 707 20.592 5.842 8.969 1.00 20.66 C ATOM 52 CG2 VAL A 707 21.071 3.829 7.595 1.00 21.93 C ATOM 0 H VAL A 707 18.653 3.859 6.077 1.00 23.12 H new ATOM 0 HA VAL A 707 18.698 3.866 8.729 1.00 21.00 H new ATOM 0 HB VAL A 707 20.088 5.589 7.016 1.00 20.19 H new ATOM 0 HG11 VAL A 707 21.493 6.157 8.795 1.00 20.66 H new ATOM 0 HG12 VAL A 707 20.002 6.602 9.089 1.00 20.66 H new ATOM 0 HG13 VAL A 707 20.589 5.301 9.774 1.00 20.66 H new ATOM 0 HG21 VAL A 707 21.974 4.166 7.486 1.00 21.93 H new ATOM 0 HG22 VAL A 707 21.034 3.249 8.371 1.00 21.93 H new ATOM 0 HG23 VAL A 707 20.816 3.328 6.805 1.00 21.93 H new ATOM 53 N CYS A 708 17.434 6.404 7.168 1.00 23.53 N ATOM 54 CA CYS A 708 16.692 7.688 7.340 1.00 25.24 C ATOM 55 C CYS A 708 15.257 7.565 6.811 1.00 28.84 C ATOM 56 O CYS A 708 14.483 8.517 6.984 1.00 28.53 O ATOM 57 CB CYS A 708 17.436 8.850 6.720 1.00 25.17 C ATOM 58 SG CYS A 708 17.363 8.776 4.887 1.00 26.20 S ATOM 0 H CYS A 708 17.664 6.232 6.357 1.00 23.53 H new ATOM 0 HA CYS A 708 16.633 7.876 8.290 1.00 25.24 H new ATOM 0 HB2 CYS A 708 17.052 9.686 7.029 1.00 25.17 H new ATOM 0 HB3 CYS A 708 18.361 8.838 7.011 1.00 25.17 H new ATOM 59 N ASN A 709 14.898 6.419 6.204 1.00 28.64 N ATOM 60 CA ASN A 709 13.570 6.142 5.687 1.00 32.54 C ATOM 61 C ASN A 709 13.021 7.090 4.601 1.00 34.34 C ATOM 62 O ASN A 709 11.800 7.196 4.492 1.00 32.63 O ATOM 63 CB ASN A 709 12.570 6.067 6.836 1.00 32.11 C ATOM 64 CG ASN A 709 12.955 4.996 7.821 1.00 40.39 C ATOM 65 OD1 ASN A 709 13.463 5.277 8.907 1.00 40.16 O ATOM 66 ND2 ASN A 709 12.795 3.773 7.421 1.00 38.41 N ATOM 0 H ASN A 709 15.448 5.769 6.084 1.00 28.64 H new ATOM 0 HA ASN A 709 13.679 5.293 5.231 1.00 32.54 H new ATOM 0 HB2 ASN A 709 12.526 6.925 7.287 1.00 32.11 H new ATOM 0 HB3 ASN A 709 11.684 5.885 6.486 1.00 32.11 H new ATOM 0 HD21 ASN A 709 13.048 3.121 7.921 1.00 38.41 H new ATOM 0 HD22 ASN A 709 12.436 3.614 6.656 1.00 38.41 H new ATOM 67 N LYS A 710 13.908 7.782 3.878 1.00 31.95 N ATOM 68 CA LYS A 710 13.582 8.652 2.742 1.00 32.95 C ATOM 69 C LYS A 710 14.025 7.978 1.431 1.00 38.72 C ATOM 70 O LYS A 710 14.944 7.122 1.398 1.00 34.55 O ATOM 71 CB LYS A 710 14.299 9.979 2.869 1.00 30.52 C ATOM 72 CG LYS A 710 13.898 10.773 4.114 1.00 36.72 C ATOM 73 CD LYS A 710 12.458 11.250 4.037 1.00 41.40 C ATOM 74 CE LYS A 710 12.118 12.283 5.104 1.00 46.85 C ATOM 75 NZ LYS A 710 11.988 11.683 6.457 1.00 57.12 N ATOM 0 H LYS A 710 14.751 7.756 4.044 1.00 31.95 H new ATOM 0 HA LYS A 710 12.624 8.802 2.736 1.00 32.95 H new ATOM 0 HB2 LYS A 710 15.256 9.821 2.889 1.00 30.52 H new ATOM 0 HB3 LYS A 710 14.117 10.514 2.081 1.00 30.52 H new ATOM 0 HG2 LYS A 710 14.014 10.220 4.902 1.00 36.72 H new ATOM 0 HG3 LYS A 710 14.487 11.537 4.214 1.00 36.72 H new ATOM 0 HD2 LYS A 710 12.295 11.632 3.160 1.00 41.40 H new ATOM 0 HD3 LYS A 710 11.864 10.488 4.130 1.00 41.40 H new ATOM 0 HE2 LYS A 710 12.808 12.965 5.121 1.00 46.85 H new ATOM 0 HE3 LYS A 710 11.287 12.725 4.869 1.00 46.85 H new ATOM 0 HZ1 LYS A 710 11.790 12.320 7.047 1.00 57.12 H new ATOM 0 HZ2 LYS A 710 11.340 11.073 6.450 1.00 57.12 H new ATOM 0 HZ3 LYS A 710 12.756 11.296 6.686 1.00 57.12 H new ATOM 76 N TRP A 711 13.353 8.355 0.338 1.00 32.56 N ATOM 77 CA TRP A 711 13.777 8.004 -0.994 1.00 31.20 C ATOM 78 C TRP A 711 14.850 8.960 -1.402 1.00 28.79 C ATOM 79 O TRP A 711 15.280 9.837 -0.630 1.00 37.63 O ATOM 80 CB TRP A 711 12.542 7.961 -1.917 1.00 35.17 C ATOM 81 CG TRP A 711 12.819 7.665 -3.317 1.00 33.35 C ATOM 82 CD1 TRP A 711 13.154 6.465 -3.834 1.00 36.23 C ATOM 83 CD2 TRP A 711 12.794 8.589 -4.401 1.00 33.75 C ATOM 84 NE1 TRP A 711 13.361 6.581 -5.181 1.00 38.64 N ATOM 85 CE2 TRP A 711 13.140 7.880 -5.546 1.00 31.71 C ATOM 86 CE3 TRP A 711 12.503 9.954 -4.517 1.00 29.89 C ATOM 87 CZ2 TRP A 711 13.191 8.479 -6.794 1.00 37.16 C ATOM 88 CZ3 TRP A 711 12.560 10.526 -5.776 1.00 34.32 C ATOM 89 CH2 TRP A 711 12.874 9.794 -6.868 1.00 28.45 C ATOM 0 H TRP A 711 12.634 8.825 0.363 1.00 32.56 H new ATOM 0 HA TRP A 711 14.167 7.118 -1.049 1.00 31.20 H new ATOM 0 HB2 TRP A 711 11.926 7.294 -1.577 1.00 35.17 H new ATOM 0 HB3 TRP A 711 12.089 8.817 -1.866 1.00 35.17 H new ATOM 0 HD1 TRP A 711 13.232 5.676 -3.347 1.00 36.23 H new ATOM 0 HE1 TRP A 711 13.592 5.943 -5.710 1.00 38.64 H new ATOM 0 HE3 TRP A 711 12.278 10.461 -3.770 1.00 29.89 H new ATOM 0 HZ2 TRP A 711 13.433 7.997 -7.552 1.00 37.16 H new ATOM 0 HZ3 TRP A 711 12.378 11.433 -5.873 1.00 34.32 H new ATOM 0 HH2 TRP A 711 12.872 10.208 -7.701 1.00 28.45 H new ATOM 90 N GLY A 712 15.454 8.676 -2.561 1.00 30.47 N ATOM 91 CA GLY A 712 16.459 9.520 -3.122 1.00 31.12 C ATOM 92 C GLY A 712 17.388 8.667 -3.994 1.00 29.87 C ATOM 93 O GLY A 712 16.962 7.633 -4.512 1.00 33.19 O ATOM 0 H GLY A 712 15.277 7.979 -3.032 1.00 30.47 H new ATOM 0 HA2 GLY A 712 16.051 10.222 -3.653 1.00 31.12 H new ATOM 0 HA3 GLY A 712 16.965 9.955 -2.417 1.00 31.12 H new ATOM 94 N ARG A 713 18.630 9.108 -4.120 1.00 30.51 N ATOM 95 CA ARG A 713 19.735 8.325 -4.736 1.00 33.34 C ATOM 96 C ARG A 713 20.189 7.165 -3.823 1.00 33.10 C ATOM 97 O ARG A 713 20.837 7.376 -2.848 1.00 34.46 O ATOM 98 CB ARG A 713 20.887 9.237 -5.117 1.00 33.91 C ATOM 99 CG ARG A 713 22.078 8.578 -5.827 1.00 45.86 C ATOM 100 CD ARG A 713 21.687 7.910 -7.147 1.00 56.60 C ATOM 101 NE ARG A 713 22.715 7.007 -7.675 1.00 64.98 N ATOM 102 CZ ARG A 713 22.616 5.679 -7.830 1.00 67.86 C ATOM 103 NH1 ARG A 713 23.656 5.016 -8.325 1.00 73.26 N ATOM 104 NH2 ARG A 713 21.514 4.994 -7.513 1.00 66.72 N ATOM 0 H ARG A 713 18.876 9.886 -3.849 1.00 30.51 H new ATOM 0 HA ARG A 713 19.400 7.919 -5.551 1.00 33.34 H new ATOM 0 HB2 ARG A 713 20.542 9.938 -5.691 1.00 33.91 H new ATOM 0 HB3 ARG A 713 21.214 9.666 -4.311 1.00 33.91 H new ATOM 0 HG2 ARG A 713 22.758 9.248 -5.998 1.00 45.86 H new ATOM 0 HG3 ARG A 713 22.473 7.916 -5.239 1.00 45.86 H new ATOM 0 HD2 ARG A 713 20.865 7.412 -7.018 1.00 56.60 H new ATOM 0 HD3 ARG A 713 21.501 8.597 -7.806 1.00 56.60 H new ATOM 0 HE ARG A 713 23.460 7.367 -7.910 1.00 64.98 H new ATOM 0 HH11 ARG A 713 24.374 5.439 -8.539 1.00 73.26 H new ATOM 0 HH12 ARG A 713 23.611 4.164 -8.432 1.00 73.26 H new ATOM 0 HH21 ARG A 713 20.829 5.405 -7.195 1.00 66.72 H new ATOM 0 HH22 ARG A 713 21.490 4.142 -7.627 1.00 66.72 H new ATOM 105 N LEU A 714 19.737 5.975 -4.111 1.00 33.28 N ATOM 106 CA LEU A 714 19.910 4.832 -3.239 1.00 35.26 C ATOM 107 C LEU A 714 20.871 3.836 -3.910 1.00 43.27 C ATOM 108 O LEU A 714 20.895 3.721 -5.137 1.00 39.12 O ATOM 109 CB LEU A 714 18.597 4.127 -3.012 1.00 33.90 C ATOM 110 CG LEU A 714 17.495 4.931 -2.325 1.00 29.80 C ATOM 111 CD1 LEU A 714 16.242 4.130 -2.310 1.00 33.13 C ATOM 112 CD2 LEU A 714 17.874 5.362 -0.927 1.00 32.49 C ATOM 0 H LEU A 714 19.309 5.796 -4.835 1.00 33.28 H new ATOM 0 HA LEU A 714 20.260 5.144 -2.390 1.00 35.26 H new ATOM 0 HB2 LEU A 714 18.262 3.827 -3.872 1.00 33.90 H new ATOM 0 HB3 LEU A 714 18.768 3.333 -2.482 1.00 33.90 H new ATOM 0 HG LEU A 714 17.359 5.746 -2.833 1.00 29.80 H new ATOM 0 HD11 LEU A 714 15.539 4.637 -1.874 1.00 33.13 H new ATOM 0 HD12 LEU A 714 15.977 3.927 -3.221 1.00 33.13 H new ATOM 0 HD13 LEU A 714 16.392 3.303 -1.825 1.00 33.13 H new ATOM 0 HD21 LEU A 714 17.145 5.867 -0.535 1.00 32.49 H new ATOM 0 HD22 LEU A 714 18.053 4.578 -0.384 1.00 32.49 H new ATOM 0 HD23 LEU A 714 18.668 5.918 -0.964 1.00 32.49 H new ATOM 113 N PHE A 715 21.668 3.156 -3.088 1.00 39.94 N ATOM 114 CA PHE A 715 22.499 2.024 -3.500 1.00 37.01 C ATOM 115 C PHE A 715 21.923 0.766 -2.881 1.00 36.06 C ATOM 116 O PHE A 715 21.619 0.729 -1.703 1.00 39.11 O ATOM 117 CB PHE A 715 23.903 2.324 -3.083 1.00 35.88 C ATOM 118 CG PHE A 715 24.431 3.600 -3.655 1.00 41.44 C ATOM 119 CD1 PHE A 715 25.097 3.601 -4.884 1.00 43.53 C ATOM 120 CD2 PHE A 715 24.271 4.795 -2.998 1.00 45.65 C ATOM 121 CE1 PHE A 715 25.608 4.759 -5.414 1.00 49.35 C ATOM 122 CE2 PHE A 715 24.790 5.977 -3.517 1.00 49.59 C ATOM 123 CZ PHE A 715 25.459 5.959 -4.742 1.00 53.69 C ATOM 0 H PHE A 715 21.743 3.345 -2.252 1.00 39.94 H new ATOM 0 HA PHE A 715 22.508 1.881 -4.459 1.00 37.01 H new ATOM 0 HB2 PHE A 715 23.943 2.370 -2.115 1.00 35.88 H new ATOM 0 HB3 PHE A 715 24.478 1.592 -3.356 1.00 35.88 H new ATOM 0 HD1 PHE A 715 25.196 2.803 -5.351 1.00 43.53 H new ATOM 0 HD2 PHE A 715 23.808 4.815 -2.192 1.00 45.65 H new ATOM 0 HE1 PHE A 715 26.056 4.737 -6.228 1.00 49.35 H new ATOM 0 HE2 PHE A 715 24.692 6.775 -3.050 1.00 49.59 H new ATOM 0 HZ PHE A 715 25.801 6.745 -5.102 1.00 53.69 H new ATOM 124 N CYS A 716 21.750 -0.280 -3.663 1.00 33.61 N ATOM 125 CA CYS A 716 21.055 -1.449 -3.251 1.00 35.42 C ATOM 126 C CYS A 716 22.020 -2.554 -2.830 1.00 37.78 C ATOM 127 O CYS A 716 23.068 -2.716 -3.439 1.00 46.45 O ATOM 128 CB CYS A 716 20.135 -1.951 -4.354 1.00 47.87 C ATOM 129 SG CYS A 716 18.579 -1.022 -4.570 1.00 51.60 S ATOM 0 H CYS A 716 22.046 -0.320 -4.469 1.00 33.61 H new ATOM 0 HA CYS A 716 20.517 -1.208 -2.481 1.00 35.42 H new ATOM 0 HB2 CYS A 716 20.622 -1.933 -5.192 1.00 47.87 H new ATOM 0 HB3 CYS A 716 19.916 -2.879 -4.173 1.00 47.87 H new ATOM 0 HG CYS A 716 18.106 -0.778 -3.495 1.00 51.60 H new ATOM 130 N CYS A 717 21.672 -3.278 -1.775 1.00 37.41 N ATOM 131 CA CYS A 717 22.524 -4.396 -1.359 1.00 42.00 C ATOM 132 C CYS A 717 22.280 -5.544 -2.340 1.00 42.41 C ATOM 133 O CYS A 717 21.117 -5.815 -2.680 1.00 47.01 O ATOM 134 CB CYS A 717 22.147 -4.883 0.026 1.00 37.00 C ATOM 135 SG CYS A 717 23.244 -6.161 0.678 1.00 37.12 S ATOM 0 H CYS A 717 20.970 -3.149 -1.296 1.00 37.41 H new ATOM 0 HA CYS A 717 23.450 -4.107 -1.348 1.00 42.00 H new ATOM 0 HB2 CYS A 717 22.147 -4.128 0.635 1.00 37.00 H new ATOM 0 HB3 CYS A 717 21.241 -5.229 0.002 1.00 37.00 H new ATOM 136 N ASP A 718 23.339 -6.251 -2.707 1.00 45.60 N ATOM 137 CA ASP A 718 23.185 -7.448 -3.560 1.00 44.53 C ATOM 138 C ASP A 718 22.775 -8.707 -2.821 1.00 50.32 C ATOM 139 O ASP A 718 22.231 -9.615 -3.425 1.00 57.18 O ATOM 140 CB ASP A 718 24.408 -7.613 -4.433 1.00 47.40 C ATOM 141 CG ASP A 718 24.458 -6.565 -5.511 1.00 47.75 C ATOM 142 OD1 ASP A 718 23.438 -6.464 -6.209 1.00 62.08 O ATOM 143 OD2 ASP A 718 25.454 -5.806 -5.664 1.00 51.29 O ATOM 0 H ASP A 718 24.149 -6.068 -2.483 1.00 45.60 H new ATOM 0 HA ASP A 718 22.422 -7.294 -4.138 1.00 44.53 H new ATOM 0 HB2 ASP A 718 25.208 -7.556 -3.887 1.00 47.40 H new ATOM 0 HB3 ASP A 718 24.403 -8.495 -4.837 1.00 47.40 H new ATOM 144 N THR A 719 22.943 -8.764 -1.509 1.00 44.61 N ATOM 145 CA THR A 719 22.647 -9.985 -0.799 1.00 41.49 C ATOM 146 C THR A 719 21.505 -9.881 0.125 1.00 39.90 C ATOM 147 O THR A 719 21.250 -10.805 0.860 1.00 44.23 O ATOM 148 CB THR A 719 23.926 -10.455 -0.060 1.00 50.18 C ATOM 149 OG1 THR A 719 24.547 -9.356 0.650 1.00 41.84 O ATOM 150 CG2 THR A 719 24.912 -10.971 -1.102 1.00 48.59 C ATOM 0 H THR A 719 23.224 -8.114 -1.021 1.00 44.61 H new ATOM 0 HA THR A 719 22.373 -10.644 -1.456 1.00 41.49 H new ATOM 0 HB THR A 719 23.687 -11.145 0.579 1.00 50.18 H new ATOM 0 HG1 THR A 719 24.138 -9.221 1.371 1.00 41.84 H new ATOM 0 HG21 THR A 719 25.722 -11.271 -0.661 1.00 48.59 H new ATOM 0 HG22 THR A 719 24.514 -11.712 -1.585 1.00 48.59 H new ATOM 0 HG23 THR A 719 25.128 -10.259 -1.724 1.00 48.59 H new ATOM 151 N CYS A 720 20.835 -8.732 0.164 1.00 40.79 N ATOM 152 CA CYS A 720 19.636 -8.559 0.980 1.00 38.29 C ATOM 153 C CYS A 720 18.855 -7.431 0.306 1.00 30.56 C ATOM 154 O CYS A 720 19.424 -6.738 -0.497 1.00 35.44 O ATOM 155 CB CYS A 720 19.922 -8.216 2.470 1.00 41.36 C ATOM 156 SG CYS A 720 20.397 -6.476 2.846 1.00 37.02 S ATOM 0 H CYS A 720 21.062 -8.032 -0.281 1.00 40.79 H new ATOM 0 HA CYS A 720 19.145 -9.394 1.021 1.00 38.29 H new ATOM 0 HB2 CYS A 720 19.130 -8.432 2.987 1.00 41.36 H new ATOM 0 HB3 CYS A 720 20.632 -8.798 2.783 1.00 41.36 H new ATOM 157 N PRO A 721 17.586 -7.246 0.672 1.00 39.05 N ATOM 158 CA PRO A 721 16.751 -6.215 0.061 1.00 40.62 C ATOM 159 C PRO A 721 16.868 -4.772 0.619 1.00 46.31 C ATOM 160 O PRO A 721 16.055 -3.930 0.235 1.00 43.11 O ATOM 161 CB PRO A 721 15.342 -6.758 0.275 1.00 40.87 C ATOM 162 CG PRO A 721 15.415 -7.554 1.512 1.00 43.36 C ATOM 163 CD PRO A 721 16.842 -8.003 1.700 1.00 40.93 C ATOM 0 HA PRO A 721 17.028 -6.083 -0.859 1.00 40.62 H new ATOM 0 HB2 PRO A 721 14.698 -6.037 0.360 1.00 40.87 H new ATOM 0 HB3 PRO A 721 15.059 -7.303 -0.476 1.00 40.87 H new ATOM 0 HG2 PRO A 721 15.124 -7.026 2.272 1.00 43.36 H new ATOM 0 HG3 PRO A 721 14.824 -8.321 1.456 1.00 43.36 H new ATOM 0 HD2 PRO A 721 17.164 -7.802 2.593 1.00 40.93 H new ATOM 0 HD3 PRO A 721 16.934 -8.960 1.574 1.00 40.93 H new ATOM 164 N ARG A 722 17.857 -4.465 1.462 1.00 35.80 N ATOM 165 CA ARG A 722 18.032 -3.071 1.960 1.00 36.69 C ATOM 166 C ARG A 722 18.637 -2.167 0.987 1.00 28.70 C ATOM 167 O ARG A 722 19.417 -2.585 0.132 1.00 35.22 O ATOM 168 CB ARG A 722 18.907 -3.029 3.247 1.00 32.31 C ATOM 169 CG ARG A 722 18.293 -3.849 4.326 1.00 34.42 C ATOM 170 CD ARG A 722 19.233 -3.958 5.511 1.00 32.29 C ATOM 171 NE ARG A 722 18.595 -4.596 6.630 1.00 30.53 N ATOM 172 CZ ARG A 722 18.721 -5.887 6.954 1.00 30.93 C ATOM 173 NH1 ARG A 722 19.387 -6.716 6.196 1.00 34.13 N ATOM 174 NH2 ARG A 722 18.156 -6.337 8.021 1.00 32.56 N ATOM 0 H ARG A 722 18.434 -5.029 1.760 1.00 35.80 H new ATOM 0 HA ARG A 722 17.129 -2.767 2.143 1.00 36.69 H new ATOM 0 HB2 ARG A 722 19.797 -3.360 3.050 1.00 32.31 H new ATOM 0 HB3 ARG A 722 19.005 -2.112 3.547 1.00 32.31 H new ATOM 0 HG2 ARG A 722 17.455 -3.449 4.607 1.00 34.42 H new ATOM 0 HG3 ARG A 722 18.085 -4.734 3.988 1.00 34.42 H new ATOM 0 HD2 ARG A 722 20.021 -4.462 5.255 1.00 32.29 H new ATOM 0 HD3 ARG A 722 19.534 -3.073 5.770 1.00 32.29 H new ATOM 0 HE ARG A 722 18.093 -4.109 7.130 1.00 30.53 H new ATOM 0 HH11 ARG A 722 19.756 -6.435 5.472 1.00 34.13 H new ATOM 0 HH12 ARG A 722 19.457 -7.543 6.421 1.00 34.13 H new ATOM 0 HH21 ARG A 722 17.700 -5.807 8.522 1.00 32.56 H new ATOM 0 HH22 ARG A 722 18.235 -7.167 8.232 1.00 32.56 H new ATOM 175 N SER A 723 18.326 -0.881 1.096 1.00 29.88 N ATOM 176 CA SER A 723 18.988 0.163 0.311 1.00 27.93 C ATOM 177 C SER A 723 19.422 1.339 1.173 1.00 28.95 C ATOM 178 O SER A 723 18.813 1.565 2.220 1.00 32.93 O ATOM 179 CB SER A 723 18.050 0.709 -0.843 1.00 36.50 C ATOM 180 OG SER A 723 17.386 -0.414 -1.488 1.00 38.31 O ATOM 0 H SER A 723 17.721 -0.584 1.630 1.00 29.88 H new ATOM 0 HA SER A 723 19.773 -0.256 -0.076 1.00 27.93 H new ATOM 0 HB2 SER A 723 17.393 1.322 -0.478 1.00 36.50 H new ATOM 0 HB3 SER A 723 18.572 1.206 -1.492 1.00 36.50 H new ATOM 0 HG SER A 723 16.592 -0.205 -1.667 1.00 38.31 H new ATOM 181 N PHE A 724 20.376 2.106 0.682 1.00 26.47 N ATOM 182 CA PHE A 724 21.046 3.170 1.410 1.00 26.86 C ATOM 183 C PHE A 724 21.351 4.384 0.600 1.00 28.00 C ATOM 184 O PHE A 724 21.920 4.338 -0.506 1.00 27.90 O ATOM 185 CB PHE A 724 22.406 2.681 2.043 1.00 25.81 C ATOM 186 CG PHE A 724 22.227 1.507 2.943 1.00 27.38 C ATOM 187 CD1 PHE A 724 22.105 0.220 2.431 1.00 26.50 C ATOM 188 CD2 PHE A 724 22.077 1.683 4.339 1.00 25.27 C ATOM 189 CE1 PHE A 724 21.874 -0.900 3.260 1.00 28.35 C ATOM 190 CE2 PHE A 724 21.830 0.567 5.131 1.00 26.12 C ATOM 191 CZ PHE A 724 21.756 -0.732 4.604 1.00 27.92 C ATOM 0 H PHE A 724 20.666 2.018 -0.123 1.00 26.47 H new ATOM 0 HA PHE A 724 20.402 3.412 2.094 1.00 26.86 H new ATOM 0 HB2 PHE A 724 23.025 2.449 1.333 1.00 25.81 H new ATOM 0 HB3 PHE A 724 22.807 3.409 2.542 1.00 25.81 H new ATOM 0 HD1 PHE A 724 22.178 0.092 1.513 1.00 26.50 H new ATOM 0 HD2 PHE A 724 22.142 2.529 4.720 1.00 25.27 H new ATOM 0 HE1 PHE A 724 21.803 -1.749 2.888 1.00 28.35 H new ATOM 0 HE2 PHE A 724 21.709 0.686 6.045 1.00 26.12 H new ATOM 0 HZ PHE A 724 21.629 -1.464 5.164 1.00 27.92 H new ATOM 192 N HIS A 725 21.194 5.533 1.240 1.00 26.40 N ATOM 193 CA HIS A 725 21.903 6.668 0.741 1.00 26.37 C ATOM 194 C HIS A 725 23.380 6.435 0.942 1.00 34.30 C ATOM 195 O HIS A 725 23.810 5.790 1.924 1.00 28.56 O ATOM 196 CB HIS A 725 21.587 8.012 1.365 1.00 29.36 C ATOM 197 CG HIS A 725 20.191 8.458 1.118 1.00 32.66 C ATOM 198 ND1 HIS A 725 19.223 8.365 2.075 1.00 29.58 N ATOM 199 CD2 HIS A 725 19.570 8.926 0.002 1.00 32.97 C ATOM 200 CE1 HIS A 725 18.063 8.768 1.602 1.00 31.09 C ATOM 201 NE2 HIS A 725 18.248 9.133 0.336 1.00 34.32 N ATOM 0 H HIS A 725 20.702 5.664 1.933 1.00 26.40 H new ATOM 0 HA HIS A 725 21.620 6.732 -0.184 1.00 26.37 H new ATOM 0 HB2 HIS A 725 21.740 7.962 2.322 1.00 29.36 H new ATOM 0 HB3 HIS A 725 22.200 8.677 1.014 1.00 29.36 H new ATOM 0 HD2 HIS A 725 19.962 9.077 -0.828 1.00 32.97 H new ATOM 0 HE1 HIS A 725 17.259 8.793 2.069 1.00 31.09 H new ATOM 0 HE2 HIS A 725 17.643 9.447 -0.188 1.00 34.32 H new ATOM 202 N GLU A 726 24.156 7.070 0.072 1.00 29.59 N ATOM 203 CA GLU A 726 25.614 7.001 0.123 1.00 33.57 C ATOM 204 C GLU A 726 26.245 7.215 1.504 1.00 34.88 C ATOM 205 O GLU A 726 27.020 6.352 1.937 1.00 35.29 O ATOM 206 CB GLU A 726 26.222 8.020 -0.835 1.00 38.34 C ATOM 207 CG GLU A 726 27.750 8.015 -0.859 1.00 41.81 C ATOM 208 CD GLU A 726 28.355 8.772 -2.032 1.00 49.51 C ATOM 209 OE1 GLU A 726 27.592 9.421 -2.765 1.00 51.28 O ATOM 210 OE2 GLU A 726 29.589 8.705 -2.219 1.00 48.66 O ATOM 0 H GLU A 726 23.851 7.556 -0.569 1.00 29.59 H new ATOM 0 HA GLU A 726 25.815 6.087 -0.131 1.00 33.57 H new ATOM 0 HB2 GLU A 726 25.893 7.845 -1.731 1.00 38.34 H new ATOM 0 HB3 GLU A 726 25.914 8.906 -0.588 1.00 38.34 H new ATOM 0 HG2 GLU A 726 28.078 8.403 -0.033 1.00 41.81 H new ATOM 0 HG3 GLU A 726 28.061 7.096 -0.885 1.00 41.81 H new ATOM 211 N HIS A 727 25.935 8.344 2.142 1.00 30.94 N ATOM 212 CA HIS A 727 26.496 8.725 3.437 1.00 31.48 C ATOM 213 C HIS A 727 25.617 8.342 4.647 1.00 24.64 C ATOM 214 O HIS A 727 25.946 8.652 5.778 1.00 26.84 O ATOM 215 CB HIS A 727 26.781 10.198 3.448 1.00 34.98 C ATOM 216 CG HIS A 727 27.808 10.605 2.451 1.00 42.14 C ATOM 217 ND1 HIS A 727 28.975 9.888 2.248 1.00 48.89 N ATOM 218 CD2 HIS A 727 27.867 11.664 1.619 1.00 50.98 C ATOM 219 CE1 HIS A 727 29.700 10.481 1.318 1.00 53.68 C ATOM 220 NE2 HIS A 727 29.055 11.566 0.924 1.00 56.63 N ATOM 0 H HIS A 727 25.381 8.921 1.827 1.00 30.94 H new ATOM 0 HA HIS A 727 27.316 8.217 3.539 1.00 31.48 H new ATOM 0 HB2 HIS A 727 25.959 10.682 3.272 1.00 34.98 H new ATOM 0 HB3 HIS A 727 27.079 10.457 4.334 1.00 34.98 H new ATOM 0 HD2 HIS A 727 27.228 12.334 1.530 1.00 50.98 H new ATOM 0 HE1 HIS A 727 30.521 10.187 0.996 1.00 53.68 H new ATOM 0 HE2 HIS A 727 29.332 12.122 0.329 1.00 56.63 H new ATOM 221 N CYS A 728 24.527 7.685 4.384 1.00 23.84 N ATOM 222 CA CYS A 728 23.724 7.025 5.437 1.00 21.68 C ATOM 223 C CYS A 728 24.374 5.672 5.837 1.00 22.84 C ATOM 224 O CYS A 728 24.419 5.331 7.022 1.00 21.09 O ATOM 225 CB CYS A 728 22.266 6.843 5.054 1.00 24.86 C ATOM 226 SG CYS A 728 21.244 8.409 5.180 1.00 27.35 S ATOM 0 H CYS A 728 24.207 7.593 3.591 1.00 23.84 H new ATOM 0 HA CYS A 728 23.723 7.617 6.205 1.00 21.68 H new ATOM 0 HB2 CYS A 728 22.219 6.510 4.144 1.00 24.86 H new ATOM 0 HB3 CYS A 728 21.873 6.165 5.625 1.00 24.86 H new ATOM 227 N HIS A 729 24.824 4.902 4.868 1.00 21.93 N ATOM 228 CA HIS A 729 25.560 3.679 5.133 1.00 21.99 C ATOM 229 C HIS A 729 26.844 4.016 5.847 1.00 19.67 C ATOM 230 O HIS A 729 27.415 5.073 5.657 1.00 20.47 O ATOM 231 CB HIS A 729 25.872 2.907 3.814 1.00 21.45 C ATOM 232 CG HIS A 729 26.252 1.489 4.070 1.00 20.32 C ATOM 233 ND1 HIS A 729 27.561 1.125 4.276 1.00 23.24 N ATOM 234 CD2 HIS A 729 25.511 0.372 4.212 1.00 22.16 C ATOM 235 CE1 HIS A 729 27.621 -0.165 4.470 1.00 23.13 C ATOM 236 NE2 HIS A 729 26.398 -0.645 4.453 1.00 22.80 N ATOM 0 H HIS A 729 24.712 5.072 4.032 1.00 21.93 H new ATOM 0 HA HIS A 729 25.012 3.105 5.691 1.00 21.99 H new ATOM 0 HB2 HIS A 729 25.095 2.933 3.234 1.00 21.45 H new ATOM 0 HB3 HIS A 729 26.592 3.353 3.342 1.00 21.45 H new ATOM 0 HD1 HIS A 729 28.233 1.661 4.277 1.00 23.24 H new ATOM 0 HD2 HIS A 729 24.585 0.305 4.157 1.00 22.16 H new ATOM 0 HE1 HIS A 729 28.398 -0.660 4.598 1.00 23.13 H new ATOM 237 N ILE A 730 27.311 3.108 6.746 1.00 18.68 N ATOM 238 CA ILE A 730 28.578 3.340 7.417 1.00 19.12 C ATOM 239 C ILE A 730 29.336 1.956 7.284 1.00 21.49 C ATOM 240 O ILE A 730 28.732 0.912 7.612 1.00 23.11 O ATOM 241 CB ILE A 730 28.446 3.666 8.919 1.00 21.97 C ATOM 242 CG1 ILE A 730 27.512 4.839 9.160 1.00 20.37 C ATOM 243 CG2 ILE A 730 29.836 3.843 9.505 1.00 20.34 C ATOM 244 CD1 ILE A 730 27.295 5.117 10.673 1.00 22.13 C ATOM 0 H ILE A 730 26.909 2.379 6.963 1.00 18.68 H new ATOM 0 HA ILE A 730 29.024 4.104 7.019 1.00 19.12 H new ATOM 0 HB ILE A 730 28.026 2.927 9.387 1.00 21.97 H new ATOM 0 HG12 ILE A 730 27.876 5.632 8.736 1.00 20.37 H new ATOM 0 HG13 ILE A 730 26.656 4.660 8.740 1.00 20.37 H new ATOM 0 HG21 ILE A 730 29.765 4.049 10.450 1.00 20.34 H new ATOM 0 HG22 ILE A 730 30.343 3.024 9.390 1.00 20.34 H new ATOM 0 HG23 ILE A 730 30.289 4.570 9.050 1.00 20.34 H new ATOM 0 HD11 ILE A 730 26.694 5.871 10.781 1.00 22.13 H new ATOM 0 HD12 ILE A 730 26.908 4.333 11.094 1.00 22.13 H new ATOM 0 HD13 ILE A 730 28.147 5.320 11.090 1.00 22.13 H new ATOM 245 N PRO A 731 30.533 1.985 6.763 1.00 24.63 N ATOM 246 CA PRO A 731 31.167 3.066 6.030 1.00 25.64 C ATOM 247 C PRO A 731 30.388 3.572 4.776 1.00 23.96 C ATOM 248 O PRO A 731 29.532 2.882 4.317 1.00 26.78 O ATOM 249 CB PRO A 731 32.452 2.378 5.462 1.00 31.51 C ATOM 250 CG PRO A 731 32.596 1.163 6.240 1.00 28.48 C ATOM 251 CD PRO A 731 31.234 0.700 6.590 1.00 31.51 C ATOM 0 HA PRO A 731 31.269 3.831 6.618 1.00 25.64 H new ATOM 0 HB2 PRO A 731 32.358 2.182 4.517 1.00 31.51 H new ATOM 0 HB3 PRO A 731 33.229 2.951 5.557 1.00 31.51 H new ATOM 0 HG2 PRO A 731 33.067 0.485 5.731 1.00 28.48 H new ATOM 0 HG3 PRO A 731 33.117 1.330 7.041 1.00 28.48 H new ATOM 0 HD2 PRO A 731 30.839 0.159 5.889 1.00 31.51 H new ATOM 0 HD3 PRO A 731 31.225 0.166 7.400 1.00 31.51 H new ATOM 252 N SER A 732 30.674 4.790 4.310 1.00 31.04 N ATOM 253 CA SER A 732 30.043 5.327 3.035 1.00 34.46 C ATOM 254 C SER A 732 30.082 4.325 1.873 1.00 36.71 C ATOM 255 O SER A 732 31.040 3.557 1.778 1.00 37.53 O ATOM 256 CB SER A 732 30.762 6.568 2.574 1.00 39.11 C ATOM 257 OG SER A 732 30.372 7.625 3.408 1.00 45.97 O ATOM 0 H SER A 732 31.220 5.334 4.692 1.00 31.04 H new ATOM 0 HA SER A 732 29.118 5.511 3.261 1.00 34.46 H new ATOM 0 HB2 SER A 732 31.723 6.439 2.615 1.00 39.11 H new ATOM 0 HB3 SER A 732 30.542 6.765 1.650 1.00 39.11 H new ATOM 0 HG SER A 732 29.981 8.212 2.952 1.00 45.97 H new ATOM 258 N VAL A 733 29.010 4.227 1.106 1.00 34.64 N ATOM 259 CA VAL A 733 28.842 3.119 0.128 1.00 36.67 C ATOM 260 C VAL A 733 30.025 3.162 -0.823 1.00 45.83 C ATOM 261 O VAL A 733 30.437 4.234 -1.251 1.00 46.29 O ATOM 262 CB VAL A 733 27.553 3.164 -0.663 1.00 37.03 C ATOM 263 CG1 VAL A 733 27.556 2.119 -1.804 1.00 36.69 C ATOM 264 CG2 VAL A 733 26.336 2.915 0.235 1.00 37.47 C ATOM 0 H VAL A 733 28.356 4.785 1.124 1.00 34.64 H new ATOM 0 HA VAL A 733 28.801 2.292 0.634 1.00 36.67 H new ATOM 0 HB VAL A 733 27.492 4.054 -1.044 1.00 37.03 H new ATOM 0 HG11 VAL A 733 26.720 2.171 -2.293 1.00 36.69 H new ATOM 0 HG12 VAL A 733 28.294 2.300 -2.407 1.00 36.69 H new ATOM 0 HG13 VAL A 733 27.656 1.230 -1.429 1.00 36.69 H new ATOM 0 HG21 VAL A 733 25.527 2.950 -0.299 1.00 37.47 H new ATOM 0 HG22 VAL A 733 26.412 2.041 0.649 1.00 37.47 H new ATOM 0 HG23 VAL A 733 26.297 3.596 0.924 1.00 37.47 H new ATOM 265 N GLU A 734 30.608 1.979 -1.060 1.00 53.98 N ATOM 266 CA GLU A 734 31.908 1.843 -1.744 1.00 62.12 C ATOM 267 C GLU A 734 31.713 2.069 -3.273 1.00 62.31 C ATOM 268 O GLU A 734 30.685 1.641 -3.837 1.00 57.46 O ATOM 269 CB GLU A 734 32.535 0.463 -1.419 1.00 62.48 C ATOM 270 CG GLU A 734 32.858 0.193 0.073 1.00 64.83 C ATOM 271 CD GLU A 734 31.649 0.015 1.026 1.00 69.67 C ATOM 272 OE1 GLU A 734 30.545 -0.297 0.571 1.00 72.51 O ATOM 273 OE2 GLU A 734 31.765 0.170 2.257 1.00 67.52 O ATOM 0 H GLU A 734 30.260 1.228 -0.828 1.00 53.98 H new ATOM 0 HA GLU A 734 32.529 2.517 -1.426 1.00 62.12 H new ATOM 0 HB2 GLU A 734 31.929 -0.228 -1.730 1.00 62.48 H new ATOM 0 HB3 GLU A 734 33.355 0.373 -1.930 1.00 62.48 H new ATOM 0 HG2 GLU A 734 33.404 -0.607 0.125 1.00 64.83 H new ATOM 0 HG3 GLU A 734 33.398 0.928 0.404 1.00 64.83 H new ATOM 274 N ALA A 735 32.677 2.761 -3.908 1.00 76.81 N ATOM 275 CA ALA A 735 32.591 3.236 -5.326 1.00 81.43 C ATOM 276 C ALA A 735 32.312 2.134 -6.350 1.00 89.84 C ATOM 277 O ALA A 735 31.422 2.268 -7.209 1.00 97.02 O ATOM 278 CB ALA A 735 33.859 3.978 -5.734 1.00 75.32 C ATOM 0 H ALA A 735 33.417 2.976 -3.526 1.00 76.81 H new ATOM 0 HA ALA A 735 31.826 3.832 -5.337 1.00 81.43 H new ATOM 0 HB1 ALA A 735 33.779 4.275 -6.654 1.00 75.32 H new ATOM 0 HB2 ALA A 735 33.984 4.747 -5.156 1.00 75.32 H new ATOM 0 HB3 ALA A 735 34.622 3.385 -5.651 1.00 75.32 H new ATOM 279 N ASN A 736 33.065 1.045 -6.266 1.00 82.36 N ATOM 280 CA ASN A 736 32.817 -0.071 -7.151 1.00 92.98 C ATOM 281 C ASN A 736 32.303 -1.289 -6.348 1.00 92.58 C ATOM 282 O ASN A 736 31.372 -1.112 -5.552 1.00106.34 O ATOM 283 CB ASN A 736 34.040 -0.289 -8.052 1.00 99.47 C ATOM 284 CG ASN A 736 33.653 -0.814 -9.416 1.00 93.77 C ATOM 285 OD1 ASN A 736 33.205 -1.952 -9.525 1.00106.09 O ATOM 286 ND2 ASN A 736 33.776 0.024 -10.455 1.00 80.04 N ATOM 0 H ASN A 736 33.713 0.937 -5.711 1.00 82.36 H new ATOM 0 HA ASN A 736 32.093 0.108 -7.771 1.00 92.98 H new ATOM 0 HB2 ASN A 736 34.520 0.548 -8.153 1.00 99.47 H new ATOM 0 HB3 ASN A 736 34.647 -0.914 -7.626 1.00 99.47 H new ATOM 0 HD21 ASN A 736 33.536 -0.228 -11.241 1.00 80.04 H new ATOM 0 HD22 ASN A 736 34.095 0.814 -10.335 1.00 80.04 H new ATOM 287 N LYS A 737 32.862 -2.490 -6.541 1.00 90.50 N ATOM 288 CA LYS A 737 32.392 -3.709 -5.872 1.00 93.57 C ATOM 289 C LYS A 737 31.008 -4.112 -6.405 1.00 92.24 C ATOM 290 O LYS A 737 29.983 -3.604 -5.956 1.00 91.21 O ATOM 291 CB LYS A 737 32.392 -3.568 -4.330 1.00 88.20 C ATOM 0 H LYS A 737 33.529 -2.620 -7.068 1.00 90.50 H new ATOM 0 HA LYS A 737 33.018 -4.420 -6.080 1.00 93.57 H new ATOM 292 N ASN A 738 30.996 -4.991 -7.404 1.00 87.85 N ATOM 293 CA ASN A 738 29.773 -5.692 -7.830 1.00 83.30 C ATOM 294 C ASN A 738 30.094 -7.168 -7.670 1.00 83.51 C ATOM 295 O ASN A 738 31.095 -7.594 -8.215 1.00 99.66 O ATOM 296 CB ASN A 738 29.421 -5.378 -9.289 1.00 85.35 C ATOM 297 CG ASN A 738 29.685 -3.911 -9.661 1.00 84.47 C ATOM 298 OD1 ASN A 738 30.764 -3.371 -9.405 1.00 82.66 O ATOM 299 ND2 ASN A 738 28.700 -3.269 -10.276 1.00 85.78 N ATOM 0 H ASN A 738 31.695 -5.202 -7.858 1.00 87.85 H new ATOM 0 HA ASN A 738 29.006 -5.417 -7.304 1.00 83.30 H new ATOM 0 HB2 ASN A 738 29.938 -5.954 -9.874 1.00 85.35 H new ATOM 0 HB3 ASN A 738 28.486 -5.583 -9.443 1.00 85.35 H new ATOM 0 HD21 ASN A 738 28.802 -2.448 -10.510 1.00 85.78 H new ATOM 0 HD22 ASN A 738 27.959 -3.674 -10.440 1.00 85.78 H new ATOM 300 N PRO A 739 29.352 -7.950 -6.886 1.00 80.68 N ATOM 301 CA PRO A 739 28.276 -7.486 -6.041 1.00 77.03 C ATOM 302 C PRO A 739 28.753 -6.662 -4.815 1.00 68.58 C ATOM 303 O PRO A 739 29.931 -6.710 -4.425 1.00 62.95 O ATOM 304 CB PRO A 739 27.647 -8.803 -5.582 1.00 81.89 C ATOM 305 CG PRO A 739 28.818 -9.737 -5.463 1.00 81.15 C ATOM 306 CD PRO A 739 29.872 -9.253 -6.419 1.00 78.97 C ATOM 0 HA PRO A 739 27.680 -6.881 -6.510 1.00 77.03 H new ATOM 0 HB2 PRO A 739 27.185 -8.701 -4.735 1.00 81.89 H new ATOM 0 HB3 PRO A 739 26.995 -9.129 -6.223 1.00 81.89 H new ATOM 0 HG2 PRO A 739 29.158 -9.746 -4.555 1.00 81.15 H new ATOM 0 HG3 PRO A 739 28.554 -10.646 -5.676 1.00 81.15 H new ATOM 0 HD2 PRO A 739 30.732 -9.157 -5.982 1.00 78.97 H new ATOM 0 HD3 PRO A 739 29.996 -9.872 -7.156 1.00 78.97 H new ATOM 307 N TRP A 740 27.820 -5.913 -4.230 1.00 55.35 N ATOM 308 CA TRP A 740 28.058 -5.172 -2.973 1.00 52.35 C ATOM 309 C TRP A 740 27.202 -5.719 -1.855 1.00 41.30 C ATOM 310 O TRP A 740 26.017 -6.030 -2.023 1.00 40.01 O ATOM 311 CB TRP A 740 27.790 -3.689 -3.162 1.00 51.58 C ATOM 312 CG TRP A 740 27.964 -2.868 -1.920 1.00 51.00 C ATOM 313 CD1 TRP A 740 29.126 -2.536 -1.306 1.00 47.28 C ATOM 314 CD2 TRP A 740 26.916 -2.240 -1.185 1.00 42.40 C ATOM 315 NE1 TRP A 740 28.871 -1.733 -0.213 1.00 46.46 N ATOM 316 CE2 TRP A 740 27.519 -1.535 -0.119 1.00 42.50 C ATOM 317 CE3 TRP A 740 25.530 -2.199 -1.334 1.00 44.21 C ATOM 318 CZ2 TRP A 740 26.785 -0.847 0.824 1.00 38.88 C ATOM 319 CZ3 TRP A 740 24.784 -1.473 -0.406 1.00 42.78 C ATOM 320 CH2 TRP A 740 25.431 -0.775 0.644 1.00 41.50 C ATOM 0 H TRP A 740 27.026 -5.815 -4.546 1.00 55.35 H new ATOM 0 HA TRP A 740 28.990 -5.289 -2.731 1.00 52.35 H new ATOM 0 HB2 TRP A 740 28.385 -3.348 -3.848 1.00 51.58 H new ATOM 0 HB3 TRP A 740 26.884 -3.574 -3.489 1.00 51.58 H new ATOM 0 HD1 TRP A 740 29.971 -2.809 -1.581 1.00 47.28 H new ATOM 0 HE1 TRP A 740 29.463 -1.410 0.321 1.00 46.46 H new ATOM 0 HE3 TRP A 740 25.113 -2.645 -2.035 1.00 44.21 H new ATOM 0 HZ2 TRP A 740 27.196 -0.446 1.556 1.00 38.88 H new ATOM 0 HZ3 TRP A 740 23.857 -1.447 -0.477 1.00 42.78 H new ATOM 0 HH2 TRP A 740 24.923 -0.256 1.224 1.00 41.50 H new ATOM 321 N SER A 741 27.810 -5.901 -0.694 1.00 39.36 N ATOM 322 CA SER A 741 27.083 -6.377 0.456 1.00 34.34 C ATOM 323 C SER A 741 27.152 -5.235 1.552 1.00 29.94 C ATOM 324 O SER A 741 28.197 -4.696 1.836 1.00 28.14 O ATOM 325 CB SER A 741 27.673 -7.701 0.941 1.00 42.09 C ATOM 326 OG SER A 741 27.012 -8.840 0.363 1.00 43.58 O ATOM 0 H SER A 741 28.646 -5.753 -0.556 1.00 39.36 H new ATOM 0 HA SER A 741 26.154 -6.561 0.246 1.00 34.34 H new ATOM 0 HB2 SER A 741 28.617 -7.732 0.720 1.00 42.09 H new ATOM 0 HB3 SER A 741 27.606 -7.747 1.908 1.00 42.09 H new ATOM 0 HG SER A 741 26.186 -8.788 0.507 1.00 43.58 H new ATOM 327 N CYS A 742 25.978 -4.840 2.018 1.00 30.76 N ATOM 328 CA CYS A 742 25.793 -3.863 3.112 1.00 29.79 C ATOM 329 C CYS A 742 26.329 -4.420 4.440 1.00 27.11 C ATOM 330 O CYS A 742 26.441 -5.645 4.687 1.00 24.29 O ATOM 331 CB CYS A 742 24.245 -3.577 3.306 1.00 23.52 C ATOM 332 SG CYS A 742 23.188 -4.602 4.231 1.00 26.54 S ATOM 0 H CYS A 742 25.234 -5.136 1.704 1.00 30.76 H new ATOM 0 HA CYS A 742 26.274 -3.055 2.876 1.00 29.79 H new ATOM 0 HB2 CYS A 742 24.178 -2.692 3.697 1.00 23.52 H new ATOM 0 HB3 CYS A 742 23.863 -3.524 2.416 1.00 23.52 H new ATOM 333 N ILE A 743 26.452 -3.475 5.382 1.00 26.23 N ATOM 334 CA ILE A 743 26.893 -3.753 6.735 1.00 24.12 C ATOM 335 C ILE A 743 26.065 -4.782 7.483 1.00 23.56 C ATOM 336 O ILE A 743 26.607 -5.604 8.216 1.00 24.59 O ATOM 337 CB ILE A 743 27.099 -2.455 7.494 1.00 24.08 C ATOM 338 CG1 ILE A 743 27.908 -2.779 8.791 1.00 23.98 C ATOM 339 CG2 ILE A 743 25.790 -1.767 7.685 1.00 22.96 C ATOM 340 CD1 ILE A 743 28.490 -1.585 9.427 1.00 29.60 C ATOM 0 H ILE A 743 26.276 -2.645 5.240 1.00 26.23 H new ATOM 0 HA ILE A 743 27.752 -4.197 6.663 1.00 24.12 H new ATOM 0 HB ILE A 743 27.631 -1.810 7.003 1.00 24.08 H new ATOM 0 HG12 ILE A 743 27.325 -3.224 9.426 1.00 23.98 H new ATOM 0 HG13 ILE A 743 28.619 -3.402 8.574 1.00 23.98 H new ATOM 0 HG21 ILE A 743 25.927 -0.938 8.170 1.00 22.96 H new ATOM 0 HG22 ILE A 743 25.397 -1.573 6.820 1.00 22.96 H new ATOM 0 HG23 ILE A 743 25.193 -2.341 8.189 1.00 22.96 H new ATOM 0 HD11 ILE A 743 28.978 -1.848 10.223 1.00 29.60 H new ATOM 0 HD12 ILE A 743 29.095 -1.150 8.806 1.00 29.60 H new ATOM 0 HD13 ILE A 743 27.781 -0.970 9.671 1.00 29.60 H new ATOM 341 N PHE A 744 24.734 -4.818 7.280 1.00 24.47 N ATOM 342 CA PHE A 744 23.940 -5.842 7.893 1.00 22.92 C ATOM 343 C PHE A 744 24.371 -7.271 7.461 1.00 24.90 C ATOM 344 O PHE A 744 24.429 -8.228 8.292 1.00 25.35 O ATOM 345 CB PHE A 744 22.390 -5.664 7.656 1.00 25.28 C ATOM 346 CG PHE A 744 21.791 -4.443 8.263 1.00 23.07 C ATOM 347 CD1 PHE A 744 21.921 -3.220 7.673 1.00 25.23 C ATOM 348 CD2 PHE A 744 21.011 -4.555 9.379 1.00 23.52 C ATOM 349 CE1 PHE A 744 21.320 -2.065 8.264 1.00 24.50 C ATOM 350 CE2 PHE A 744 20.378 -3.460 9.948 1.00 24.26 C ATOM 351 CZ PHE A 744 20.569 -2.214 9.400 1.00 21.88 C ATOM 0 H PHE A 744 24.297 -4.258 6.795 1.00 24.47 H new ATOM 0 HA PHE A 744 24.108 -5.739 8.843 1.00 22.92 H new ATOM 0 HB2 PHE A 744 22.223 -5.648 6.701 1.00 25.28 H new ATOM 0 HB3 PHE A 744 21.932 -6.442 8.011 1.00 25.28 H new ATOM 0 HD1 PHE A 744 22.403 -3.137 6.882 1.00 25.23 H new ATOM 0 HD2 PHE A 744 20.901 -5.392 9.769 1.00 23.52 H new ATOM 0 HE1 PHE A 744 21.437 -1.225 7.883 1.00 24.50 H new ATOM 0 HE2 PHE A 744 19.830 -3.568 10.692 1.00 24.26 H new ATOM 0 HZ PHE A 744 20.186 -1.468 9.803 1.00 21.88 H new ATOM 352 N CYS A 745 24.635 -7.376 6.163 1.00 29.74 N ATOM 353 CA CYS A 745 25.042 -8.662 5.539 1.00 30.23 C ATOM 354 C CYS A 745 26.431 -9.062 6.058 1.00 27.97 C ATOM 355 O CYS A 745 26.667 -10.245 6.382 1.00 28.14 O ATOM 356 CB CYS A 745 25.046 -8.517 4.000 1.00 29.17 C ATOM 357 SG CYS A 745 23.330 -8.609 3.380 1.00 36.18 S ATOM 0 H CYS A 745 24.588 -6.717 5.612 1.00 29.74 H new ATOM 0 HA CYS A 745 24.410 -9.359 5.776 1.00 30.23 H new ATOM 0 HB2 CYS A 745 25.448 -7.672 3.745 1.00 29.17 H new ATOM 0 HB3 CYS A 745 25.583 -9.218 3.600 1.00 29.17 H new ATOM 358 N ARG A 746 27.321 -8.079 6.148 1.00 25.37 N ATOM 359 CA ARG A 746 28.690 -8.335 6.608 1.00 27.53 C ATOM 360 C ARG A 746 28.708 -8.758 8.042 1.00 28.40 C ATOM 361 O ARG A 746 29.450 -9.658 8.403 1.00 26.08 O ATOM 362 CB ARG A 746 29.590 -7.166 6.399 1.00 27.15 C ATOM 363 CG ARG A 746 29.690 -6.888 4.918 1.00 30.72 C ATOM 364 CD ARG A 746 30.357 -5.611 4.637 1.00 33.89 C ATOM 365 NE ARG A 746 31.715 -5.634 5.114 1.00 41.15 N ATOM 366 CZ ARG A 746 32.519 -4.565 5.166 1.00 47.60 C ATOM 367 NH1 ARG A 746 32.081 -3.353 4.749 1.00 53.56 N ATOM 368 NH2 ARG A 746 33.754 -4.705 5.645 1.00 43.34 N ATOM 0 H ARG A 746 27.157 -7.259 5.949 1.00 25.37 H new ATOM 0 HA ARG A 746 29.031 -9.062 6.065 1.00 27.53 H new ATOM 0 HB2 ARG A 746 29.244 -6.388 6.864 1.00 27.15 H new ATOM 0 HB3 ARG A 746 30.469 -7.349 6.767 1.00 27.15 H new ATOM 0 HG2 ARG A 746 30.178 -7.607 4.488 1.00 30.72 H new ATOM 0 HG3 ARG A 746 28.800 -6.878 4.532 1.00 30.72 H new ATOM 0 HD2 ARG A 746 30.347 -5.438 3.683 1.00 33.89 H new ATOM 0 HD3 ARG A 746 29.872 -4.886 5.062 1.00 33.89 H new ATOM 0 HE ARG A 746 32.032 -6.387 5.384 1.00 41.15 H new ATOM 0 HH11 ARG A 746 31.280 -3.265 4.448 1.00 53.56 H new ATOM 0 HH12 ARG A 746 32.604 -2.671 4.786 1.00 53.56 H new ATOM 0 HH21 ARG A 746 34.025 -5.475 5.916 1.00 43.34 H new ATOM 0 HH22 ARG A 746 34.280 -4.026 5.683 1.00 43.34 H new ATOM 369 N ILE A 747 27.870 -8.167 8.868 1.00 24.13 N ATOM 370 CA ILE A 747 27.765 -8.579 10.284 1.00 25.37 C ATOM 371 C ILE A 747 27.165 -10.012 10.402 1.00 25.27 C ATOM 372 O ILE A 747 27.612 -10.894 11.182 1.00 26.19 O ATOM 373 CB ILE A 747 26.929 -7.567 11.084 1.00 25.20 C ATOM 374 CG1 ILE A 747 27.681 -6.259 11.212 1.00 27.14 C ATOM 375 CG2 ILE A 747 26.570 -8.134 12.434 1.00 31.05 C ATOM 376 CD1 ILE A 747 28.799 -6.150 12.225 1.00 26.70 C ATOM 0 H ILE A 747 27.346 -7.523 8.644 1.00 24.13 H new ATOM 0 HA ILE A 747 28.659 -8.597 10.661 1.00 25.37 H new ATOM 0 HB ILE A 747 26.101 -7.391 10.610 1.00 25.20 H new ATOM 0 HG12 ILE A 747 28.054 -6.049 10.341 1.00 27.14 H new ATOM 0 HG13 ILE A 747 27.032 -5.567 11.417 1.00 27.14 H new ATOM 0 HG21 ILE A 747 26.043 -7.486 12.928 1.00 31.05 H new ATOM 0 HG22 ILE A 747 26.054 -8.947 12.317 1.00 31.05 H new ATOM 0 HG23 ILE A 747 27.381 -8.334 12.927 1.00 31.05 H new ATOM 0 HD11 ILE A 747 29.182 -5.260 12.190 1.00 26.70 H new ATOM 0 HD12 ILE A 747 28.448 -6.316 13.114 1.00 26.70 H new ATOM 0 HD13 ILE A 747 29.485 -6.805 12.022 1.00 26.70 H new ATOM 377 N LYS A 748 26.163 -10.272 9.606 1.00 27.77 N ATOM 378 CA LYS A 748 25.547 -11.621 9.601 1.00 30.76 C ATOM 379 C LYS A 748 26.612 -12.681 9.202 1.00 29.48 C ATOM 380 O LYS A 748 26.725 -13.696 9.845 1.00 31.64 O ATOM 381 CB LYS A 748 24.318 -11.658 8.703 1.00 34.41 C ATOM 382 CG LYS A 748 23.570 -12.979 8.811 1.00 42.09 C ATOM 383 CD LYS A 748 22.812 -13.353 7.533 1.00 55.89 C ATOM 384 CE LYS A 748 21.761 -12.329 7.146 1.00 64.87 C ATOM 385 NZ LYS A 748 20.809 -11.966 8.242 1.00 75.44 N ATOM 0 H LYS A 748 25.812 -9.708 9.060 1.00 27.77 H new ATOM 0 HA LYS A 748 25.236 -11.837 10.494 1.00 30.76 H new ATOM 0 HB2 LYS A 748 23.723 -10.930 8.941 1.00 34.41 H new ATOM 0 HB3 LYS A 748 24.587 -11.514 7.782 1.00 34.41 H new ATOM 0 HG2 LYS A 748 24.201 -13.684 9.023 1.00 42.09 H new ATOM 0 HG3 LYS A 748 22.942 -12.929 9.549 1.00 42.09 H new ATOM 0 HD2 LYS A 748 23.445 -13.451 6.804 1.00 55.89 H new ATOM 0 HD3 LYS A 748 22.386 -14.216 7.656 1.00 55.89 H new ATOM 0 HE2 LYS A 748 22.208 -11.523 6.842 1.00 64.87 H new ATOM 0 HE3 LYS A 748 21.254 -12.672 6.394 1.00 64.87 H new ATOM 0 HZ1 LYS A 748 20.166 -11.444 7.916 1.00 75.44 H new ATOM 0 HZ2 LYS A 748 20.447 -12.706 8.579 1.00 75.44 H new ATOM 0 HZ3 LYS A 748 21.247 -11.532 8.884 1.00 75.44 H new ATOM 386 N THR A 749 27.454 -12.372 8.226 1.00 29.82 N ATOM 387 CA THR A 749 28.507 -13.314 7.830 1.00 29.92 C ATOM 388 C THR A 749 29.485 -13.682 8.955 1.00 37.91 C ATOM 389 O THR A 749 29.902 -14.872 9.077 1.00 34.21 O ATOM 390 CB THR A 749 29.242 -12.770 6.607 1.00 33.50 C ATOM 391 OG1 THR A 749 28.293 -12.699 5.556 1.00 37.88 O ATOM 392 CG2 THR A 749 30.394 -13.673 6.192 1.00 35.57 C ATOM 0 H THR A 749 27.439 -11.635 7.783 1.00 29.82 H new ATOM 0 HA THR A 749 28.066 -14.149 7.608 1.00 29.92 H new ATOM 0 HB THR A 749 29.622 -11.902 6.813 1.00 33.50 H new ATOM 0 HG1 THR A 749 27.789 -12.038 5.677 1.00 37.88 H new ATOM 0 HG21 THR A 749 30.836 -13.297 5.415 1.00 35.57 H new ATOM 0 HG22 THR A 749 31.029 -13.744 6.922 1.00 35.57 H new ATOM 0 HG23 THR A 749 30.052 -14.554 5.974 1.00 35.57 H new ATOM 393 N ILE A 750 29.874 -12.685 9.758 1.00 37.58 N ATOM 394 CA ILE A 750 30.742 -12.897 10.932 1.00 40.99 C ATOM 395 C ILE A 750 30.138 -13.909 11.859 1.00 40.55 C ATOM 396 O ILE A 750 30.843 -14.829 12.257 1.00 43.55 O ATOM 397 CB ILE A 750 31.034 -11.648 11.805 1.00 43.10 C ATOM 398 CG1 ILE A 750 31.637 -10.490 11.026 1.00 48.24 C ATOM 399 CG2 ILE A 750 31.969 -12.002 12.983 1.00 47.78 C ATOM 400 CD1 ILE A 750 32.705 -10.868 10.058 1.00 54.53 C ATOM 0 H ILE A 750 29.643 -11.865 9.640 1.00 37.58 H new ATOM 0 HA ILE A 750 31.578 -13.182 10.531 1.00 40.99 H new ATOM 0 HB ILE A 750 30.170 -11.359 12.137 1.00 43.10 H new ATOM 0 HG12 ILE A 750 30.927 -10.039 10.543 1.00 48.24 H new ATOM 0 HG13 ILE A 750 32.003 -9.850 11.656 1.00 48.24 H new ATOM 0 HG21 ILE A 750 32.137 -11.207 13.513 1.00 47.78 H new ATOM 0 HG22 ILE A 750 31.549 -12.678 13.538 1.00 47.78 H new ATOM 0 HG23 ILE A 750 32.809 -12.344 12.638 1.00 47.78 H new ATOM 0 HD11 ILE A 750 33.031 -10.073 9.608 1.00 54.53 H new ATOM 0 HD12 ILE A 750 33.436 -11.293 10.533 1.00 54.53 H new ATOM 0 HD13 ILE A 750 32.344 -11.485 9.402 1.00 54.53 H new ATOM 401 N GLN A 751 28.860 -13.748 12.212 1.00 42.44 N ATOM 402 CA GLN A 751 28.185 -14.704 13.088 1.00 46.02 C ATOM 403 C GLN A 751 28.090 -16.107 12.515 1.00 47.62 C ATOM 404 O GLN A 751 28.165 -17.091 13.260 1.00 58.29 O ATOM 405 CB GLN A 751 26.767 -14.269 13.402 1.00 49.44 C ATOM 406 CG GLN A 751 26.688 -13.100 14.337 1.00 55.64 C ATOM 407 CD GLN A 751 25.312 -12.480 14.318 1.00 59.92 C ATOM 408 OE1 GLN A 751 24.343 -13.123 13.904 1.00 60.98 O ATOM 409 NE2 GLN A 751 25.216 -11.232 14.742 1.00 60.70 N ATOM 0 H GLN A 751 28.368 -13.091 11.954 1.00 42.44 H new ATOM 0 HA GLN A 751 28.739 -14.722 13.884 1.00 46.02 H new ATOM 0 HB2 GLN A 751 26.316 -14.042 12.574 1.00 49.44 H new ATOM 0 HB3 GLN A 751 26.286 -15.017 13.790 1.00 49.44 H new ATOM 0 HG2 GLN A 751 26.904 -13.388 15.238 1.00 55.64 H new ATOM 0 HG3 GLN A 751 27.349 -12.436 14.085 1.00 55.64 H new ATOM 0 HE21 GLN A 751 25.916 -10.818 15.023 1.00 60.70 H new ATOM 0 HE22 GLN A 751 24.454 -10.834 14.737 1.00 60.70 H new ATOM 410 N GLU A 752 27.880 -16.184 11.206 1.00 43.12 N ATOM 411 CA GLU A 752 27.738 -17.455 10.495 1.00 42.75 C ATOM 412 C GLU A 752 29.068 -18.209 10.410 1.00 40.33 C ATOM 413 O GLU A 752 29.120 -19.431 10.611 1.00 47.46 O ATOM 414 CB GLU A 752 27.163 -17.221 9.111 1.00 43.46 C ATOM 415 CG GLU A 752 25.697 -16.857 9.176 1.00 47.48 C ATOM 416 CD GLU A 752 25.114 -16.536 7.811 1.00 55.19 C ATOM 417 OE1 GLU A 752 25.891 -16.464 6.824 1.00 52.65 O ATOM 418 OE2 GLU A 752 23.866 -16.360 7.743 1.00 60.34 O ATOM 0 H GLU A 752 27.815 -15.493 10.698 1.00 43.12 H new ATOM 0 HA GLU A 752 27.124 -18.011 11.000 1.00 42.75 H new ATOM 0 HB2 GLU A 752 27.655 -16.510 8.671 1.00 43.46 H new ATOM 0 HB3 GLU A 752 27.276 -18.020 8.573 1.00 43.46 H new ATOM 0 HG2 GLU A 752 25.202 -17.592 9.571 1.00 47.48 H new ATOM 0 HG3 GLU A 752 25.583 -16.092 9.761 1.00 47.48 H new ATOM 419 N ARG A 753 30.141 -17.480 10.179 1.00 38.44 N ATOM 420 CA ARG A 753 31.482 -18.069 10.185 1.00 40.52 C ATOM 421 C ARG A 753 31.901 -18.514 11.551 1.00 45.27 C ATOM 422 O ARG A 753 32.649 -19.485 11.608 1.00 54.59 O ATOM 423 CB ARG A 753 32.550 -17.156 9.596 1.00 43.81 C ATOM 424 CG ARG A 753 32.451 -17.071 8.069 1.00 52.79 C ATOM 425 CD ARG A 753 33.502 -16.159 7.400 1.00 56.61 C ATOM 426 NE ARG A 753 33.513 -16.408 5.959 1.00 57.77 N ATOM 427 CZ ARG A 753 33.865 -15.538 5.020 1.00 65.68 C ATOM 428 NH1 ARG A 753 34.280 -14.297 5.318 1.00 65.80 N ATOM 429 NH2 ARG A 753 33.807 -15.928 3.748 1.00 65.76 N ATOM 0 H ARG A 753 30.123 -16.636 10.015 1.00 38.44 H new ATOM 0 HA ARG A 753 31.410 -18.846 9.609 1.00 40.52 H new ATOM 0 HB2 ARG A 753 32.461 -16.268 9.975 1.00 43.81 H new ATOM 0 HB3 ARG A 753 33.428 -17.484 9.845 1.00 43.81 H new ATOM 0 HG2 ARG A 753 32.537 -17.965 7.702 1.00 52.79 H new ATOM 0 HG3 ARG A 753 31.566 -16.751 7.832 1.00 52.79 H new ATOM 0 HD2 ARG A 753 33.296 -15.228 7.576 1.00 56.61 H new ATOM 0 HD3 ARG A 753 34.380 -16.331 7.775 1.00 56.61 H new ATOM 0 HE ARG A 753 33.269 -17.190 5.696 1.00 57.77 H new ATOM 0 HH11 ARG A 753 34.324 -14.044 6.139 1.00 65.80 H new ATOM 0 HH12 ARG A 753 34.502 -13.755 4.688 1.00 65.80 H new ATOM 0 HH21 ARG A 753 33.547 -16.724 3.554 1.00 65.76 H new ATOM 0 HH22 ARG A 753 34.030 -15.383 3.121 1.00 65.76 H new ATOM 430 N CYS A 754 31.434 -17.863 12.633 1.00 34.93 N ATOM 431 CA ACYS A 754 31.819 -18.229 13.999 0.55 37.70 C ATOM 432 CA BCYS A 754 31.876 -18.180 14.008 0.45 36.23 C ATOM 433 C CYS A 754 30.650 -18.163 14.936 1.00 36.23 C ATOM 434 O CYS A 754 30.491 -17.219 15.700 1.00 35.32 O ATOM 435 CB ACYS A 754 32.945 -17.359 14.488 0.55 37.53 C ATOM 436 CB BCYS A 754 32.967 -17.156 14.433 0.45 34.83 C ATOM 437 SG ACYS A 754 34.468 -17.931 13.757 0.55 42.83 S ATOM 438 SG BCYS A 754 33.999 -17.380 15.937 0.45 34.62 S ATOM 0 H ACYS A 754 30.888 -17.200 12.589 0.55 34.93 H new ATOM 0 H BCYS A 754 30.855 -17.228 12.591 0.45 34.93 H new ATOM 0 HA ACYS A 754 32.129 -19.148 13.980 0.55 36.23 H new ATOM 0 HA BCYS A 754 32.271 -19.064 14.061 0.45 36.23 H new ATOM 0 HB2ACYS A 754 32.783 -16.433 14.248 0.55 34.83 H new ATOM 0 HB2BCYS A 754 33.580 -17.077 13.685 0.45 34.83 H new ATOM 0 HB3ACYS A 754 33.002 -17.395 15.456 0.55 34.83 H new ATOM 0 HB3BCYS A 754 32.522 -16.299 14.527 0.45 34.83 H new ATOM 0 HG BCYS A 754 34.761 -16.459 16.041 0.45 34.62 H new ATOM 439 N PRO A 755 29.785 -19.227 14.896 1.00 35.00 N ATOM 440 CA PRO A 755 28.556 -19.198 15.691 1.00 33.95 C ATOM 441 C PRO A 755 28.781 -18.966 17.195 1.00 32.78 C ATOM 442 O PRO A 755 27.914 -18.354 17.864 1.00 32.14 O ATOM 443 CB PRO A 755 27.902 -20.599 15.432 1.00 37.93 C ATOM 444 CG PRO A 755 28.577 -21.116 14.180 1.00 38.02 C ATOM 445 CD PRO A 755 29.948 -20.522 14.163 1.00 38.08 C ATOM 0 HA PRO A 755 27.998 -18.450 15.427 1.00 33.95 H new ATOM 0 HB2 PRO A 755 28.045 -21.198 16.182 1.00 37.93 H new ATOM 0 HB3 PRO A 755 26.943 -20.522 15.309 1.00 37.93 H new ATOM 0 HG2 PRO A 755 28.620 -22.085 14.186 1.00 38.02 H new ATOM 0 HG3 PRO A 755 28.079 -20.859 13.388 1.00 38.02 H new ATOM 0 HD2 PRO A 755 30.592 -21.100 14.601 1.00 38.08 H new ATOM 0 HD3 PRO A 755 30.264 -20.381 13.257 1.00 38.08 H new ATOM 446 N GLU A 756 29.962 -19.375 17.683 1.00 29.99 N ATOM 447 CA GLU A 756 30.314 -19.245 19.089 1.00 34.17 C ATOM 448 C GLU A 756 30.560 -17.800 19.518 1.00 32.58 C ATOM 449 O GLU A 756 30.546 -17.504 20.724 1.00 28.25 O ATOM 450 CB GLU A 756 31.513 -20.143 19.429 1.00 32.54 C ATOM 451 CG GLU A 756 32.842 -19.728 18.866 1.00 40.88 C ATOM 452 CD GLU A 756 33.088 -20.172 17.406 1.00 45.66 C ATOM 453 OE1 GLU A 756 32.125 -20.420 16.598 1.00 46.63 O ATOM 454 OE2 GLU A 756 34.285 -20.272 17.045 1.00 53.10 O ATOM 0 H GLU A 756 30.576 -19.735 17.200 1.00 29.99 H new ATOM 0 HA GLU A 756 29.545 -19.544 19.599 1.00 34.17 H new ATOM 0 HB2 GLU A 756 31.593 -20.189 20.395 1.00 32.54 H new ATOM 0 HB3 GLU A 756 31.318 -21.041 19.117 1.00 32.54 H new ATOM 0 HG2 GLU A 756 32.913 -18.762 18.914 1.00 40.88 H new ATOM 0 HG3 GLU A 756 33.545 -20.093 19.426 1.00 40.88 H new ATOM 455 N SER A 757 30.738 -16.906 18.510 1.00 30.93 N ATOM 456 CA SER A 757 30.890 -15.457 18.722 1.00 30.00 C ATOM 457 C SER A 757 29.601 -14.883 19.356 1.00 29.99 C ATOM 458 O SER A 757 29.656 -13.851 19.974 1.00 29.10 O ATOM 459 CB SER A 757 31.229 -14.745 17.366 1.00 30.58 C ATOM 460 OG SER A 757 30.044 -14.679 16.533 1.00 33.02 O ATOM 0 H SER A 757 30.773 -17.136 17.682 1.00 30.93 H new ATOM 0 HA SER A 757 31.626 -15.294 19.333 1.00 30.00 H new ATOM 0 HB2 SER A 757 31.565 -13.851 17.536 1.00 30.58 H new ATOM 0 HB3 SER A 757 31.932 -15.229 16.905 1.00 30.58 H new ATOM 0 HG SER A 757 29.938 -15.413 16.138 1.00 33.02 H new ATOM 461 N GLN A 758 28.470 -15.603 19.309 1.00 27.15 N ATOM 462 CA GLN A 758 27.277 -15.198 19.991 1.00 29.13 C ATOM 463 C GLN A 758 27.122 -15.678 21.416 1.00 24.19 C ATOM 464 O GLN A 758 26.134 -15.296 22.030 1.00 24.79 O ATOM 465 CB GLN A 758 26.027 -15.653 19.218 1.00 33.16 C ATOM 466 CG GLN A 758 25.904 -15.030 17.822 1.00 41.03 C ATOM 467 CD GLN A 758 24.948 -15.883 17.007 1.00 54.28 C ATOM 468 OE1 GLN A 758 25.342 -16.940 16.460 1.00 66.41 O ATOM 469 NE2 GLN A 758 23.676 -15.515 17.027 1.00 56.64 N ATOM 0 H GLN A 758 28.393 -16.340 18.873 1.00 27.15 H new ATOM 0 HA GLN A 758 27.366 -14.233 20.030 1.00 29.13 H new ATOM 0 HB2 GLN A 758 26.044 -16.619 19.132 1.00 33.16 H new ATOM 0 HB3 GLN A 758 25.237 -15.428 19.735 1.00 33.16 H new ATOM 0 HG2 GLN A 758 25.576 -14.119 17.885 1.00 41.03 H new ATOM 0 HG3 GLN A 758 26.772 -14.989 17.392 1.00 41.03 H new ATOM 0 HE21 GLN A 758 23.447 -14.782 17.413 1.00 56.64 H new ATOM 0 HE22 GLN A 758 23.079 -16.009 16.654 1.00 56.64 H new ATOM 470 N SER A 759 28.038 -16.493 21.930 1.00 22.52 N ATOM 471 CA SER A 759 27.976 -16.829 23.378 1.00 22.51 C ATOM 472 C SER A 759 28.248 -15.548 24.180 1.00 27.15 C ATOM 473 O SER A 759 28.917 -14.606 23.684 1.00 25.81 O ATOM 474 CB SER A 759 28.987 -17.958 23.766 1.00 23.89 C ATOM 475 OG SER A 759 28.660 -19.145 23.059 1.00 22.37 O ATOM 0 H SER A 759 28.683 -16.855 21.491 1.00 22.52 H new ATOM 0 HA SER A 759 27.093 -17.174 23.585 1.00 22.51 H new ATOM 0 HB2 SER A 759 29.893 -17.682 23.554 1.00 23.89 H new ATOM 0 HB3 SER A 759 28.956 -18.120 24.722 1.00 23.89 H new ATOM 0 HG SER A 759 29.237 -19.734 23.219 1.00 22.37 H new ATOM 476 N GLY A 760 27.764 -15.517 25.416 1.00 22.63 N ATOM 477 CA GLY A 760 27.881 -14.279 26.218 1.00 26.94 C ATOM 478 C GLY A 760 29.285 -13.869 26.558 1.00 27.18 C ATOM 479 O GLY A 760 30.186 -14.746 26.808 1.00 25.16 O ATOM 0 H GLY A 760 27.374 -16.175 25.809 1.00 22.63 H new ATOM 0 HA2 GLY A 760 27.456 -13.555 25.732 1.00 26.94 H new ATOM 0 HA3 GLY A 760 27.385 -14.397 27.043 1.00 26.94 H new ATOM 480 N HIS A 761 29.499 -12.537 26.583 1.00 23.05 N ATOM 481 CA HIS A 761 30.745 -11.923 26.924 1.00 23.13 C ATOM 482 C HIS A 761 30.575 -10.949 28.038 1.00 23.28 C ATOM 483 O HIS A 761 29.502 -10.412 28.263 1.00 22.90 O ATOM 484 CB HIS A 761 31.335 -11.169 25.724 1.00 24.05 C ATOM 485 CG HIS A 761 31.613 -12.020 24.538 1.00 26.06 C ATOM 486 ND1 HIS A 761 30.649 -12.357 23.629 1.00 27.40 N ATOM 487 CD2 HIS A 761 32.757 -12.584 24.094 1.00 31.73 C ATOM 488 CE1 HIS A 761 31.178 -13.085 22.670 1.00 31.61 C ATOM 489 NE2 HIS A 761 32.461 -13.234 22.923 1.00 33.62 N ATOM 0 H HIS A 761 28.884 -11.967 26.391 1.00 23.05 H new ATOM 0 HA HIS A 761 31.344 -12.636 27.195 1.00 23.13 H new ATOM 0 HB2 HIS A 761 30.721 -10.464 25.465 1.00 24.05 H new ATOM 0 HB3 HIS A 761 32.160 -10.739 26.000 1.00 24.05 H new ATOM 0 HD1 HIS A 761 29.822 -12.128 23.677 1.00 27.40 H new ATOM 0 HD2 HIS A 761 33.590 -12.540 24.505 1.00 31.73 H new ATOM 0 HE1 HIS A 761 30.723 -13.435 21.938 1.00 31.61 H new ATOM 490 N GLN A 762 31.684 -10.653 28.732 1.00 22.65 N ATOM 491 CA GLN A 762 31.703 -9.630 29.763 1.00 25.87 C ATOM 492 C GLN A 762 32.022 -8.266 29.081 1.00 20.72 C ATOM 493 O GLN A 762 32.910 -8.230 28.241 1.00 21.74 O ATOM 494 CB GLN A 762 32.846 -9.896 30.765 1.00 27.60 C ATOM 495 CG GLN A 762 32.618 -11.165 31.615 1.00 35.73 C ATOM 496 CD GLN A 762 31.329 -11.108 32.407 1.00 39.84 C ATOM 497 OE1 GLN A 762 30.335 -11.811 32.100 1.00 47.75 O ATOM 498 NE2 GLN A 762 31.306 -10.254 33.398 1.00 45.73 N ATOM 0 H GLN A 762 32.440 -11.044 28.611 1.00 22.65 H new ATOM 0 HA GLN A 762 30.847 -9.629 30.220 1.00 25.87 H new ATOM 0 HB2 GLN A 762 33.681 -9.983 30.280 1.00 27.60 H new ATOM 0 HB3 GLN A 762 32.938 -9.131 31.354 1.00 27.60 H new ATOM 0 HG2 GLN A 762 32.603 -11.942 31.034 1.00 35.73 H new ATOM 0 HG3 GLN A 762 33.364 -11.281 32.224 1.00 35.73 H new ATOM 0 HE21 GLN A 762 32.006 -9.788 33.581 1.00 45.73 H new ATOM 0 HE22 GLN A 762 30.591 -10.158 33.867 1.00 45.73 H new ATOM 499 N GLU A 763 31.290 -7.236 29.448 1.00 23.91 N ATOM 500 CA GLU A 763 31.533 -5.902 28.876 1.00 23.61 C ATOM 501 C GLU A 763 32.968 -5.455 29.050 1.00 21.67 C ATOM 502 O GLU A 763 33.584 -4.890 28.127 1.00 21.44 O ATOM 503 CB GLU A 763 30.561 -4.856 29.466 1.00 24.25 C ATOM 504 CG GLU A 763 30.845 -3.468 28.917 1.00 23.52 C ATOM 505 CD GLU A 763 29.947 -2.347 29.403 1.00 27.51 C ATOM 506 OE1 GLU A 763 28.760 -2.487 29.433 1.00 29.51 O ATOM 507 OE2 GLU A 763 30.448 -1.286 29.768 1.00 30.08 O ATOM 0 H GLU A 763 30.650 -7.273 30.021 1.00 23.91 H new ATOM 0 HA GLU A 763 31.367 -5.973 27.923 1.00 23.61 H new ATOM 0 HB2 GLU A 763 29.647 -5.107 29.259 1.00 24.25 H new ATOM 0 HB3 GLU A 763 30.641 -4.846 30.433 1.00 24.25 H new ATOM 0 HG2 GLU A 763 31.762 -3.238 29.135 1.00 23.52 H new ATOM 0 HG3 GLU A 763 30.785 -3.507 27.950 1.00 23.52 H new ATOM 508 N SER A 764 33.573 -5.766 30.226 1.00 23.72 N ATOM 509 CA SER A 764 34.963 -5.330 30.476 1.00 22.77 C ATOM 510 C SER A 764 35.947 -5.941 29.478 1.00 23.64 C ATOM 511 O SER A 764 36.819 -5.206 28.993 1.00 25.86 O ATOM 512 CB SER A 764 35.335 -5.610 31.963 1.00 29.81 C ATOM 513 OG SER A 764 35.186 -7.005 32.239 1.00 30.61 O ATOM 0 H SER A 764 33.207 -6.211 30.865 1.00 23.72 H new ATOM 0 HA SER A 764 35.027 -4.373 30.331 1.00 22.77 H new ATOM 0 HB2 SER A 764 36.248 -5.332 32.136 1.00 29.81 H new ATOM 0 HB3 SER A 764 34.765 -5.091 32.552 1.00 29.81 H new ATOM 0 HG SER A 764 34.383 -7.170 32.422 1.00 30.61 H new ATOM 514 N GLU A 765 35.757 -7.216 29.074 1.00 22.17 N ATOM 515 CA GLU A 765 36.581 -7.834 28.076 1.00 23.51 C ATOM 516 C GLU A 765 36.327 -7.227 26.681 1.00 20.57 C ATOM 517 O GLU A 765 37.265 -6.939 25.961 1.00 22.03 O ATOM 518 CB GLU A 765 36.321 -9.393 28.032 1.00 26.80 C ATOM 519 CG GLU A 765 37.088 -10.131 26.916 1.00 30.90 C ATOM 520 CD GLU A 765 36.397 -10.222 25.543 1.00 34.20 C ATOM 521 OE1 GLU A 765 35.155 -10.435 25.498 1.00 32.31 O ATOM 522 OE2 GLU A 765 37.111 -10.125 24.502 1.00 34.79 O ATOM 0 H GLU A 765 35.140 -7.727 29.386 1.00 22.17 H new ATOM 0 HA GLU A 765 37.506 -7.669 28.318 1.00 23.51 H new ATOM 0 HB2 GLU A 765 36.568 -9.776 28.888 1.00 26.80 H new ATOM 0 HB3 GLU A 765 35.371 -9.549 27.915 1.00 26.80 H new ATOM 0 HG2 GLU A 765 37.944 -9.691 26.795 1.00 30.90 H new ATOM 0 HG3 GLU A 765 37.273 -11.033 27.222 1.00 30.90 H new ATOM 523 N VAL A 766 35.048 -7.011 26.333 1.00 18.61 N ATOM 524 CA VAL A 766 34.735 -6.346 25.027 1.00 19.45 C ATOM 525 C VAL A 766 35.436 -5.011 24.911 1.00 17.09 C ATOM 526 O VAL A 766 35.966 -4.720 23.853 1.00 19.32 O ATOM 527 CB VAL A 766 33.220 -6.242 24.843 1.00 21.39 C ATOM 528 CG1 VAL A 766 32.815 -5.390 23.599 1.00 22.36 C ATOM 529 CG2 VAL A 766 32.665 -7.667 24.783 1.00 24.77 C ATOM 0 H VAL A 766 34.365 -7.227 26.809 1.00 18.61 H new ATOM 0 HA VAL A 766 35.077 -6.891 24.301 1.00 19.45 H new ATOM 0 HB VAL A 766 32.833 -5.766 25.594 1.00 21.39 H new ATOM 0 HG11 VAL A 766 31.848 -5.357 23.530 1.00 22.36 H new ATOM 0 HG12 VAL A 766 33.163 -4.490 23.696 1.00 22.36 H new ATOM 0 HG13 VAL A 766 33.182 -5.793 22.797 1.00 22.36 H new ATOM 0 HG21 VAL A 766 31.703 -7.635 24.666 1.00 24.77 H new ATOM 0 HG22 VAL A 766 33.065 -8.139 24.036 1.00 24.77 H new ATOM 0 HG23 VAL A 766 32.875 -8.131 25.608 1.00 24.77 H new ATOM 530 N LEU A 767 35.355 -4.182 25.941 1.00 18.13 N ATOM 531 CA LEU A 767 35.895 -2.811 25.862 1.00 21.10 C ATOM 532 C LEU A 767 37.389 -2.768 25.611 1.00 23.04 C ATOM 533 O LEU A 767 37.889 -1.887 24.899 1.00 20.81 O ATOM 534 CB LEU A 767 35.495 -1.936 27.039 1.00 21.69 C ATOM 535 CG LEU A 767 33.997 -1.672 27.220 1.00 25.31 C ATOM 536 CD1 LEU A 767 33.793 -0.785 28.439 1.00 28.33 C ATOM 537 CD2 LEU A 767 33.332 -1.067 25.996 1.00 25.11 C ATOM 0 H LEU A 767 34.995 -4.383 26.696 1.00 18.13 H new ATOM 0 HA LEU A 767 35.473 -2.426 25.078 1.00 21.10 H new ATOM 0 HB2 LEU A 767 35.830 -2.348 27.851 1.00 21.69 H new ATOM 0 HB3 LEU A 767 35.945 -1.081 26.948 1.00 21.69 H new ATOM 0 HG LEU A 767 33.566 -2.531 27.350 1.00 25.31 H new ATOM 0 HD11 LEU A 767 32.846 -0.614 28.560 1.00 28.33 H new ATOM 0 HD12 LEU A 767 34.143 -1.231 29.226 1.00 28.33 H new ATOM 0 HD13 LEU A 767 34.259 0.056 28.309 1.00 28.33 H new ATOM 0 HD21 LEU A 767 32.389 -0.926 26.176 1.00 25.11 H new ATOM 0 HD22 LEU A 767 33.751 -0.218 25.786 1.00 25.11 H new ATOM 0 HD23 LEU A 767 33.430 -1.670 25.243 1.00 25.11 H new ATOM 538 N MET A 768 38.131 -3.744 26.204 1.00 23.01 N ATOM 539 CA MET A 768 39.585 -3.831 25.976 1.00 23.83 C ATOM 540 C MET A 768 40.045 -4.409 24.651 1.00 25.37 C ATOM 541 O MET A 768 41.268 -4.318 24.320 1.00 24.50 O ATOM 542 CB MET A 768 40.203 -4.651 27.109 1.00 27.27 C ATOM 543 CG MET A 768 40.105 -3.913 28.406 1.00 36.96 C ATOM 544 SD MET A 768 40.691 -2.182 28.416 1.00 57.33 S ATOM 545 CE MET A 768 42.322 -2.213 27.686 1.00 45.68 C ATOM 0 H MET A 768 37.811 -4.347 26.728 1.00 23.01 H new ATOM 0 HA MET A 768 39.885 -2.909 25.952 1.00 23.83 H new ATOM 0 HB2 MET A 768 39.749 -5.505 27.182 1.00 27.27 H new ATOM 0 HB3 MET A 768 41.133 -4.840 26.908 1.00 27.27 H new ATOM 0 HG2 MET A 768 39.177 -3.920 28.688 1.00 36.96 H new ATOM 0 HG3 MET A 768 40.608 -4.406 29.073 1.00 36.96 H new ATOM 0 HE1 MET A 768 42.600 -1.308 27.476 1.00 45.68 H new ATOM 0 HE2 MET A 768 42.950 -2.607 28.312 1.00 45.68 H new ATOM 0 HE3 MET A 768 42.303 -2.741 26.873 1.00 45.68 H new ATOM 546 N ARG A 769 39.126 -4.886 23.808 1.00 19.48 N ATOM 547 CA ARG A 769 39.527 -5.370 22.512 1.00 21.26 C ATOM 548 C ARG A 769 40.138 -4.300 21.655 1.00 22.43 C ATOM 549 O ARG A 769 39.547 -3.212 21.507 1.00 18.82 O ATOM 550 CB ARG A 769 38.390 -6.028 21.753 1.00 20.38 C ATOM 551 CG ARG A 769 37.837 -7.239 22.452 1.00 24.03 C ATOM 552 CD ARG A 769 36.751 -7.782 21.607 1.00 26.71 C ATOM 553 NE ARG A 769 36.017 -8.778 22.324 1.00 29.06 N ATOM 554 CZ ARG A 769 34.827 -9.243 21.961 1.00 28.58 C ATOM 555 NH1 ARG A 769 34.178 -8.752 20.910 1.00 30.87 N ATOM 556 NH2 ARG A 769 34.256 -10.142 22.705 1.00 30.19 N ATOM 0 H ARG A 769 38.283 -4.933 23.973 1.00 19.48 H new ATOM 0 HA ARG A 769 40.203 -6.040 22.699 1.00 21.26 H new ATOM 0 HB2 ARG A 769 37.678 -5.382 21.624 1.00 20.38 H new ATOM 0 HB3 ARG A 769 38.703 -6.285 20.871 1.00 20.38 H new ATOM 0 HG2 ARG A 769 38.531 -7.903 22.584 1.00 24.03 H new ATOM 0 HG3 ARG A 769 37.500 -7.002 23.330 1.00 24.03 H new ATOM 0 HD2 ARG A 769 36.156 -7.066 21.334 1.00 26.71 H new ATOM 0 HD3 ARG A 769 37.123 -8.165 20.797 1.00 26.71 H new ATOM 0 HE ARG A 769 36.371 -9.098 23.040 1.00 29.06 H new ATOM 0 HH11 ARG A 769 34.528 -8.118 20.447 1.00 30.87 H new ATOM 0 HH12 ARG A 769 33.408 -9.069 20.693 1.00 30.87 H new ATOM 0 HH21 ARG A 769 34.649 -10.424 23.416 1.00 30.19 H new ATOM 0 HH22 ARG A 769 33.485 -10.455 22.486 1.00 30.19 H new ATOM 557 N GLN A 770 41.228 -4.663 20.972 1.00 20.05 N ATOM 558 CA GLN A 770 41.751 -3.832 19.938 1.00 21.85 C ATOM 559 C GLN A 770 40.820 -3.698 18.730 1.00 20.27 C ATOM 560 O GLN A 770 40.115 -4.661 18.336 1.00 22.02 O ATOM 561 CB GLN A 770 43.108 -4.372 19.460 1.00 23.70 C ATOM 562 CG GLN A 770 44.086 -4.199 20.598 1.00 28.29 C ATOM 563 CD GLN A 770 45.426 -4.839 20.314 1.00 34.69 C ATOM 564 OE1 GLN A 770 45.771 -5.129 19.169 1.00 43.41 O ATOM 565 NE2 GLN A 770 46.141 -5.130 21.371 1.00 41.02 N ATOM 0 H GLN A 770 41.666 -5.391 21.107 1.00 20.05 H new ATOM 0 HA GLN A 770 41.847 -2.949 20.329 1.00 21.85 H new ATOM 0 HB2 GLN A 770 43.036 -5.307 19.210 1.00 23.70 H new ATOM 0 HB3 GLN A 770 43.410 -3.891 18.674 1.00 23.70 H new ATOM 0 HG2 GLN A 770 44.213 -3.253 20.770 1.00 28.29 H new ATOM 0 HG3 GLN A 770 43.711 -4.586 21.404 1.00 28.29 H new ATOM 0 HE21 GLN A 770 45.862 -4.908 22.154 1.00 41.02 H new ATOM 0 HE22 GLN A 770 46.890 -5.543 21.283 1.00 41.02 H new ATOM 566 N MET A 771 40.845 -2.513 18.119 1.00 20.14 N ATOM 567 CA MET A 771 40.034 -2.283 16.949 1.00 21.76 C ATOM 568 C MET A 771 40.568 -2.930 15.612 1.00 20.80 C ATOM 569 O MET A 771 40.865 -2.241 14.656 1.00 20.89 O ATOM 570 CB MET A 771 39.794 -0.785 16.794 1.00 21.84 C ATOM 571 CG MET A 771 38.927 -0.224 17.844 1.00 27.12 C ATOM 572 SD MET A 771 37.147 -0.614 17.472 1.00 25.72 S ATOM 573 CE MET A 771 36.735 1.031 16.841 1.00 26.72 C ATOM 0 H MET A 771 41.322 -1.843 18.370 1.00 20.14 H new ATOM 0 HA MET A 771 39.197 -2.748 17.104 1.00 21.76 H new ATOM 0 HB2 MET A 771 40.647 -0.324 16.807 1.00 21.84 H new ATOM 0 HB3 MET A 771 39.393 -0.616 15.927 1.00 21.84 H new ATOM 0 HG2 MET A 771 39.173 -0.591 18.708 1.00 27.12 H new ATOM 0 HG3 MET A 771 39.051 0.736 17.898 1.00 27.12 H new ATOM 0 HE1 MET A 771 35.826 1.030 16.503 1.00 26.72 H new ATOM 0 HE2 MET A 771 36.812 1.681 17.557 1.00 26.72 H new ATOM 0 HE3 MET A 771 37.346 1.265 16.125 1.00 26.72 H new ATOM 574 N LEU A 772 40.676 -4.281 15.604 1.00 22.09 N ATOM 575 CA LEU A 772 40.956 -5.026 14.408 1.00 23.19 C ATOM 576 C LEU A 772 39.726 -4.912 13.477 1.00 22.88 C ATOM 577 O LEU A 772 38.640 -4.485 13.954 1.00 23.79 O ATOM 578 CB LEU A 772 41.145 -6.483 14.819 1.00 24.96 C ATOM 579 CG LEU A 772 42.410 -6.768 15.635 1.00 30.93 C ATOM 580 CD1 LEU A 772 42.469 -8.268 15.988 1.00 34.05 C ATOM 581 CD2 LEU A 772 43.604 -6.400 14.815 1.00 31.32 C ATOM 0 H LEU A 772 40.584 -4.769 16.306 1.00 22.09 H new ATOM 0 HA LEU A 772 41.746 -4.695 13.952 1.00 23.19 H new ATOM 0 HB2 LEU A 772 40.373 -6.761 15.336 1.00 24.96 H new ATOM 0 HB3 LEU A 772 41.163 -7.031 14.019 1.00 24.96 H new ATOM 0 HG LEU A 772 42.399 -6.249 16.454 1.00 30.93 H new ATOM 0 HD11 LEU A 772 43.270 -8.448 16.505 1.00 34.05 H new ATOM 0 HD12 LEU A 772 41.688 -8.509 16.510 1.00 34.05 H new ATOM 0 HD13 LEU A 772 42.487 -8.792 15.172 1.00 34.05 H new ATOM 0 HD21 LEU A 772 44.412 -6.576 15.322 1.00 31.32 H new ATOM 0 HD22 LEU A 772 43.612 -6.927 14.001 1.00 31.32 H new ATOM 0 HD23 LEU A 772 43.564 -5.457 14.589 1.00 31.32 H new ATOM 582 N PRO A 773 39.842 -5.298 12.199 1.00 25.40 N ATOM 583 CA PRO A 773 38.734 -5.226 11.249 1.00 23.84 C ATOM 584 C PRO A 773 37.346 -5.664 11.723 1.00 23.71 C ATOM 585 O PRO A 773 36.350 -4.937 11.462 1.00 24.58 O ATOM 586 CB PRO A 773 39.235 -6.090 10.072 1.00 23.68 C ATOM 587 CG PRO A 773 40.679 -5.826 10.062 1.00 26.55 C ATOM 588 CD PRO A 773 41.047 -5.856 11.519 1.00 25.07 C ATOM 0 HA PRO A 773 38.551 -4.296 11.044 1.00 23.84 H new ATOM 0 HB2 PRO A 773 39.043 -7.031 10.209 1.00 23.68 H new ATOM 0 HB3 PRO A 773 38.817 -5.834 9.235 1.00 23.68 H new ATOM 0 HG2 PRO A 773 41.162 -6.499 9.557 1.00 26.55 H new ATOM 0 HG3 PRO A 773 40.883 -4.968 9.659 1.00 26.55 H new ATOM 0 HD2 PRO A 773 41.240 -6.758 11.819 1.00 25.07 H new ATOM 0 HD3 PRO A 773 41.837 -5.322 11.698 1.00 25.07 H new ATOM 589 N GLU A 774 37.231 -6.767 12.455 1.00 24.77 N ATOM 590 CA AGLU A 774 35.941 -7.261 12.960 0.49 26.75 C ATOM 591 CA BGLU A 774 35.891 -7.185 12.856 0.51 27.12 C ATOM 592 C GLU A 774 35.305 -6.289 13.961 1.00 23.11 C ATOM 593 O GLU A 774 34.098 -5.986 13.915 1.00 20.59 O ATOM 594 CB AGLU A 774 36.117 -8.613 13.660 0.49 27.86 C ATOM 595 CB BGLU A 774 35.824 -8.683 13.164 0.51 28.59 C ATOM 596 CG AGLU A 774 34.816 -9.294 14.030 0.49 28.86 C ATOM 597 CG BGLU A 774 35.990 -9.465 11.877 0.51 29.56 C ATOM 598 CD AGLU A 774 35.017 -10.742 14.407 0.49 34.77 C ATOM 599 CD BGLU A 774 35.753 -10.950 12.004 0.51 32.50 C ATOM 600 OE1AGLU A 774 35.708 -11.456 13.661 0.49 39.22 O ATOM 601 OE1BGLU A 774 35.653 -11.472 13.121 0.51 38.73 O ATOM 602 OE2AGLU A 774 34.472 -11.148 15.448 0.49 38.53 O ATOM 603 OE2BGLU A 774 35.632 -11.576 10.940 0.51 36.67 O ATOM 0 H AGLU A 774 37.901 -7.258 12.677 0.49 24.77 H new ATOM 0 H BGLU A 774 37.879 -7.266 12.720 0.51 24.77 H new ATOM 0 HA AGLU A 774 35.360 -7.349 12.188 0.49 27.12 H new ATOM 0 HA BGLU A 774 35.307 -7.055 12.093 0.51 27.12 H new ATOM 0 HB2AGLU A 774 36.625 -9.202 13.081 0.49 28.59 H new ATOM 0 HB2BGLU A 774 36.520 -8.926 13.795 0.51 28.59 H new ATOM 0 HB3AGLU A 774 36.643 -8.483 14.465 0.49 28.59 H new ATOM 0 HB3BGLU A 774 34.975 -8.901 13.580 0.51 28.59 H new ATOM 0 HG2AGLU A 774 34.406 -8.822 14.772 0.49 29.56 H new ATOM 0 HG2BGLU A 774 35.377 -9.108 11.215 0.51 29.56 H new ATOM 0 HG3AGLU A 774 34.200 -9.239 13.283 0.49 29.56 H new ATOM 0 HG3BGLU A 774 36.888 -9.321 11.539 0.51 29.56 H new ATOM 604 N GLU A 775 36.128 -5.795 14.870 1.00 19.75 N ATOM 605 CA AGLU A 775 35.637 -4.880 15.889 0.55 21.88 C ATOM 606 CA BGLU A 775 35.660 -4.862 15.898 0.45 20.83 C ATOM 607 C GLU A 775 35.325 -3.489 15.298 1.00 20.17 C ATOM 608 O GLU A 775 34.352 -2.845 15.700 1.00 20.28 O ATOM 609 CB AGLU A 775 36.635 -4.778 17.039 0.55 25.88 C ATOM 610 CB BGLU A 775 36.693 -4.694 17.018 0.45 22.85 C ATOM 611 CG AGLU A 775 37.075 -6.118 17.620 0.55 30.53 C ATOM 612 CG BGLU A 775 36.614 -5.763 18.091 0.45 24.26 C ATOM 613 CD AGLU A 775 35.928 -6.967 18.151 0.55 30.73 C ATOM 614 CD BGLU A 775 37.194 -7.118 17.614 0.45 25.88 C ATOM 615 OE1AGLU A 775 35.142 -6.425 18.894 0.55 33.02 O ATOM 616 OE1BGLU A 775 38.000 -7.162 16.641 0.45 28.69 O ATOM 617 OE2AGLU A 775 35.819 -8.170 17.844 0.55 35.70 O ATOM 618 OE2BGLU A 775 36.797 -8.138 18.205 0.45 26.83 O ATOM 0 H AGLU A 775 36.968 -5.974 14.916 0.55 19.75 H new ATOM 0 H BGLU A 775 36.966 -5.984 14.915 0.45 19.75 H new ATOM 0 HA AGLU A 775 34.805 -5.238 16.237 0.55 20.83 H new ATOM 0 HA BGLU A 775 34.852 -5.244 16.275 0.45 20.83 H new ATOM 0 HB2AGLU A 775 37.420 -4.300 16.729 0.55 22.85 H new ATOM 0 HB2BGLU A 775 37.582 -4.702 16.630 0.45 22.85 H new ATOM 0 HB3AGLU A 775 36.241 -4.246 17.748 0.55 22.85 H new ATOM 0 HB3BGLU A 775 36.572 -3.824 17.430 0.45 22.85 H new ATOM 0 HG2AGLU A 775 37.546 -6.618 16.935 0.55 24.26 H new ATOM 0 HG2BGLU A 775 37.098 -5.465 18.877 0.45 24.26 H new ATOM 0 HG3AGLU A 775 37.706 -5.957 18.339 0.55 24.26 H new ATOM 0 HG3BGLU A 775 35.689 -5.885 18.356 0.45 24.26 H new ATOM 619 N GLN A 776 36.131 -3.037 14.379 1.00 19.51 N ATOM 620 CA GLN A 776 35.876 -1.818 13.634 1.00 19.66 C ATOM 621 C GLN A 776 34.505 -1.937 12.996 1.00 19.06 C ATOM 622 O GLN A 776 33.707 -0.953 13.066 1.00 19.43 O ATOM 623 CB GLN A 776 37.011 -1.566 12.640 1.00 20.05 C ATOM 624 CG GLN A 776 36.829 -0.383 11.694 1.00 22.18 C ATOM 625 CD GLN A 776 37.167 0.974 12.267 1.00 21.29 C ATOM 626 OE1 GLN A 776 38.018 1.126 13.167 1.00 21.65 O ATOM 627 NE2 GLN A 776 36.576 2.002 11.682 1.00 23.62 N ATOM 0 H GLN A 776 36.862 -3.432 14.157 1.00 19.51 H new ATOM 0 HA GLN A 776 35.862 -1.038 14.210 1.00 19.66 H new ATOM 0 HB2 GLN A 776 37.831 -1.432 13.141 1.00 20.05 H new ATOM 0 HB3 GLN A 776 37.132 -2.367 12.106 1.00 20.05 H new ATOM 0 HG2 GLN A 776 37.380 -0.530 10.909 1.00 22.18 H new ATOM 0 HG3 GLN A 776 35.906 -0.369 11.395 1.00 22.18 H new ATOM 0 HE21 GLN A 776 35.993 1.868 11.064 1.00 23.62 H new ATOM 0 HE22 GLN A 776 36.775 2.804 11.919 1.00 23.62 H new ATOM 628 N LEU A 777 34.255 -3.041 12.258 1.00 17.90 N ATOM 629 CA LEU A 777 32.937 -3.233 11.633 1.00 20.74 C ATOM 630 C LEU A 777 31.793 -3.213 12.611 1.00 19.03 C ATOM 631 O LEU A 777 30.733 -2.537 12.332 1.00 17.29 O ATOM 632 CB LEU A 777 32.875 -4.531 10.880 1.00 24.90 C ATOM 633 CG LEU A 777 31.695 -4.665 9.932 1.00 30.33 C ATOM 634 CD1 LEU A 777 31.892 -3.750 8.719 1.00 31.12 C ATOM 635 CD2 LEU A 777 31.527 -6.168 9.625 1.00 32.77 C ATOM 0 H LEU A 777 34.822 -3.671 12.113 1.00 17.90 H new ATOM 0 HA LEU A 777 32.838 -2.478 11.032 1.00 20.74 H new ATOM 0 HB2 LEU A 777 33.695 -4.635 10.372 1.00 24.90 H new ATOM 0 HB3 LEU A 777 32.844 -5.260 11.519 1.00 24.90 H new ATOM 0 HG LEU A 777 30.858 -4.362 10.317 1.00 30.33 H new ATOM 0 HD11 LEU A 777 31.136 -3.841 8.119 1.00 31.12 H new ATOM 0 HD12 LEU A 777 31.960 -2.829 9.016 1.00 31.12 H new ATOM 0 HD13 LEU A 777 32.705 -4.000 8.253 1.00 31.12 H new ATOM 0 HD21 LEU A 777 30.779 -6.293 9.020 1.00 32.77 H new ATOM 0 HD22 LEU A 777 32.337 -6.507 9.212 1.00 32.77 H new ATOM 0 HD23 LEU A 777 31.359 -6.650 10.450 1.00 32.77 H new ATOM 636 N LYS A 778 31.950 -3.912 13.749 1.00 18.27 N ATOM 637 CA ALYS A 778 30.906 -3.922 14.768 0.17 18.17 C ATOM 638 CA BLYS A 778 30.903 -3.925 14.748 0.83 19.62 C ATOM 639 C LYS A 778 30.610 -2.520 15.292 1.00 16.97 C ATOM 640 O LYS A 778 29.387 -2.170 15.551 1.00 17.94 O ATOM 641 CB ALYS A 778 31.263 -4.866 15.916 0.17 18.54 C ATOM 642 CB BLYS A 778 31.214 -4.953 15.827 0.83 20.99 C ATOM 643 CG ALYS A 778 31.103 -6.333 15.544 0.17 19.44 C ATOM 644 CG BLYS A 778 31.032 -6.427 15.338 0.83 25.20 C ATOM 645 CD ALYS A 778 31.284 -7.243 16.746 0.17 20.16 C ATOM 646 CD BLYS A 778 31.344 -7.430 16.465 0.83 32.35 C ATOM 647 CE ALYS A 778 30.920 -8.653 16.339 0.17 20.79 C ATOM 648 CE BLYS A 778 31.002 -8.863 16.043 0.83 38.96 C ATOM 649 NZ ALYS A 778 31.602 -9.034 15.069 0.17 20.76 N ATOM 650 NZ BLYS A 778 30.790 -9.788 17.217 0.83 44.82 N ATOM 0 H ALYS A 778 32.647 -4.378 13.941 0.17 18.27 H new ATOM 0 H BLYS A 778 32.648 -4.374 13.947 0.83 18.27 H new ATOM 0 HA ALYS A 778 30.098 -4.252 14.344 0.17 19.62 H new ATOM 0 HA BLYS A 778 30.074 -4.205 14.329 0.83 19.62 H new ATOM 0 HB2ALYS A 778 32.179 -4.704 16.189 0.17 20.99 H new ATOM 0 HB2BLYS A 778 32.127 -4.829 16.131 0.83 20.99 H new ATOM 0 HB3ALYS A 778 30.700 -4.667 16.680 0.17 20.99 H new ATOM 0 HB3BLYS A 778 30.637 -4.797 16.591 0.83 20.99 H new ATOM 0 HG2ALYS A 778 30.224 -6.475 15.160 0.17 25.20 H new ATOM 0 HG2BLYS A 778 30.122 -6.558 15.028 0.83 25.20 H new ATOM 0 HG3ALYS A 778 31.751 -6.566 14.861 0.17 25.20 H new ATOM 0 HG3BLYS A 778 31.616 -6.594 14.582 0.83 25.20 H new ATOM 0 HD2ALYS A 778 32.201 -7.209 17.060 0.17 32.35 H new ATOM 0 HD2BLYS A 778 32.284 -7.375 16.699 0.83 32.35 H new ATOM 0 HD3ALYS A 778 30.722 -6.948 17.480 0.17 32.35 H new ATOM 0 HD3BLYS A 778 30.839 -7.195 17.259 0.83 32.35 H new ATOM 0 HE2ALYS A 778 31.170 -9.272 17.043 0.17 38.96 H new ATOM 0 HE2BLYS A 778 30.200 -8.852 15.497 0.83 38.96 H new ATOM 0 HE3ALYS A 778 29.959 -8.724 16.228 0.17 38.96 H new ATOM 0 HE3BLYS A 778 31.718 -9.211 15.488 0.83 38.96 H new ATOM 0 HZ1ALYS A 778 31.891 -9.874 15.127 0.17 44.82 H new ATOM 0 HZ1BLYS A 778 30.483 -10.571 16.926 0.83 44.82 H new ATOM 0 HZ2ALYS A 778 31.029 -8.965 14.392 0.17 44.82 H new ATOM 0 HZ2BLYS A 778 31.563 -9.912 17.641 0.83 44.82 H new ATOM 0 HZ3ALYS A 778 32.293 -8.491 14.929 0.17 44.82 H new ATOM 0 HZ3BLYS A 778 30.199 -9.427 17.777 0.83 44.82 H new ATOM 651 N CYS A 779 31.656 -1.720 15.513 1.00 15.62 N ATOM 652 CA CYS A 779 31.410 -0.331 16.023 1.00 16.00 C ATOM 653 C CYS A 779 30.696 0.497 14.948 1.00 15.79 C ATOM 654 O CYS A 779 29.793 1.267 15.238 1.00 15.44 O ATOM 655 CB CYS A 779 32.674 0.369 16.468 1.00 16.38 C ATOM 656 SG CYS A 779 33.388 -0.388 17.953 1.00 19.81 S ATOM 0 H CYS A 779 32.480 -1.931 15.387 1.00 15.62 H new ATOM 0 HA CYS A 779 30.847 -0.412 16.809 1.00 16.00 H new ATOM 0 HB2 CYS A 779 33.325 0.345 15.750 1.00 16.38 H new ATOM 0 HB3 CYS A 779 32.480 1.303 16.644 1.00 16.38 H new ATOM 0 HG CYS A 779 33.084 0.258 18.918 1.00 19.81 H new ATOM 657 N GLU A 780 31.108 0.356 13.704 1.00 16.90 N ATOM 658 CA GLU A 780 30.371 0.994 12.603 1.00 18.23 C ATOM 659 C GLU A 780 28.918 0.638 12.548 1.00 17.02 C ATOM 660 O GLU A 780 28.076 1.545 12.356 1.00 16.85 O ATOM 661 CB GLU A 780 31.094 0.717 11.261 1.00 18.10 C ATOM 662 CG GLU A 780 32.442 1.367 11.113 1.00 18.95 C ATOM 663 CD GLU A 780 33.385 0.752 10.005 1.00 21.76 C ATOM 664 OE1 GLU A 780 33.071 -0.357 9.464 1.00 24.50 O ATOM 665 OE2 GLU A 780 34.435 1.411 9.664 1.00 23.88 O ATOM 0 H GLU A 780 31.800 -0.096 13.466 1.00 16.90 H new ATOM 0 HA GLU A 780 30.374 1.948 12.776 1.00 18.23 H new ATOM 0 HB2 GLU A 780 31.200 -0.242 11.160 1.00 18.10 H new ATOM 0 HB3 GLU A 780 30.525 1.018 10.535 1.00 18.10 H new ATOM 0 HG2 GLU A 780 32.309 2.307 10.915 1.00 18.95 H new ATOM 0 HG3 GLU A 780 32.900 1.319 11.966 1.00 18.95 H new ATOM 666 N PHE A 781 28.567 -0.632 12.790 1.00 16.65 N ATOM 667 CA PHE A 781 27.209 -1.081 12.709 1.00 17.31 C ATOM 668 C PHE A 781 26.419 -0.547 13.896 1.00 15.93 C ATOM 669 O PHE A 781 25.288 -0.069 13.731 1.00 16.59 O ATOM 670 CB PHE A 781 27.166 -2.598 12.771 1.00 17.28 C ATOM 671 CG PHE A 781 25.815 -3.220 12.579 1.00 17.95 C ATOM 672 CD1 PHE A 781 25.010 -2.856 11.510 1.00 20.66 C ATOM 673 CD2 PHE A 781 25.395 -4.211 13.383 1.00 19.72 C ATOM 674 CE1 PHE A 781 23.834 -3.496 11.295 1.00 19.44 C ATOM 675 CE2 PHE A 781 24.228 -4.822 13.220 1.00 21.72 C ATOM 676 CZ PHE A 781 23.403 -4.443 12.161 1.00 22.30 C ATOM 0 H PHE A 781 29.128 -1.247 13.006 1.00 16.65 H new ATOM 0 HA PHE A 781 26.828 -0.763 11.876 1.00 17.31 H new ATOM 0 HB2 PHE A 781 27.765 -2.950 12.094 1.00 17.28 H new ATOM 0 HB3 PHE A 781 27.514 -2.880 13.631 1.00 17.28 H new ATOM 0 HD1 PHE A 781 25.277 -2.172 10.940 1.00 20.66 H new ATOM 0 HD2 PHE A 781 25.945 -4.480 14.083 1.00 19.72 H new ATOM 0 HE1 PHE A 781 23.321 -3.283 10.549 1.00 19.44 H new ATOM 0 HE2 PHE A 781 23.963 -5.495 13.805 1.00 21.72 H new ATOM 0 HZ PHE A 781 22.567 -4.836 12.051 1.00 22.30 H new ATOM 677 N LEU A 782 27.044 -0.545 15.071 1.00 15.60 N ATOM 678 CA LEU A 782 26.396 0.008 16.269 1.00 15.61 C ATOM 679 C LEU A 782 26.115 1.520 16.090 1.00 15.14 C ATOM 680 O LEU A 782 25.003 2.000 16.439 1.00 15.41 O ATOM 681 CB LEU A 782 27.322 -0.233 17.481 1.00 17.01 C ATOM 682 CG LEU A 782 26.898 0.360 18.813 1.00 17.03 C ATOM 683 CD1 LEU A 782 25.498 0.085 19.187 1.00 19.50 C ATOM 684 CD2 LEU A 782 27.759 -0.243 19.903 1.00 18.45 C ATOM 0 H LEU A 782 27.836 -0.855 15.200 1.00 15.60 H new ATOM 0 HA LEU A 782 25.544 -0.433 16.414 1.00 15.61 H new ATOM 0 HB2 LEU A 782 27.421 -1.191 17.597 1.00 17.01 H new ATOM 0 HB3 LEU A 782 28.199 0.118 17.262 1.00 17.01 H new ATOM 0 HG LEU A 782 26.998 1.320 18.718 1.00 17.03 H new ATOM 0 HD11 LEU A 782 25.306 0.495 20.045 1.00 19.50 H new ATOM 0 HD12 LEU A 782 24.905 0.452 18.513 1.00 19.50 H new ATOM 0 HD13 LEU A 782 25.362 -0.873 19.249 1.00 19.50 H new ATOM 0 HD21 LEU A 782 27.500 0.126 20.762 1.00 18.45 H new ATOM 0 HD22 LEU A 782 27.638 -1.205 19.916 1.00 18.45 H new ATOM 0 HD23 LEU A 782 28.691 -0.037 19.731 1.00 18.45 H new ATOM 685 N LEU A 783 27.085 2.269 15.541 1.00 15.92 N ATOM 686 CA LEU A 783 26.861 3.697 15.187 1.00 14.82 C ATOM 687 C LEU A 783 25.679 3.848 14.234 1.00 15.30 C ATOM 688 O LEU A 783 24.765 4.713 14.413 1.00 14.58 O ATOM 689 CB LEU A 783 28.109 4.306 14.656 1.00 16.08 C ATOM 690 CG LEU A 783 28.051 5.807 14.387 1.00 15.55 C ATOM 691 CD1 LEU A 783 27.595 6.613 15.592 1.00 15.66 C ATOM 692 CD2 LEU A 783 29.351 6.315 13.816 1.00 17.01 C ATOM 0 H LEU A 783 27.875 1.978 15.364 1.00 15.92 H new ATOM 0 HA LEU A 783 26.628 4.185 15.992 1.00 14.82 H new ATOM 0 HB2 LEU A 783 28.826 4.135 15.286 1.00 16.08 H new ATOM 0 HB3 LEU A 783 28.343 3.855 13.830 1.00 16.08 H new ATOM 0 HG LEU A 783 27.366 5.940 13.713 1.00 15.55 H new ATOM 0 HD11 LEU A 783 27.577 7.555 15.363 1.00 15.66 H new ATOM 0 HD12 LEU A 783 26.706 6.328 15.855 1.00 15.66 H new ATOM 0 HD13 LEU A 783 28.210 6.471 16.328 1.00 15.66 H new ATOM 0 HD21 LEU A 783 29.283 7.269 13.656 1.00 17.01 H new ATOM 0 HD22 LEU A 783 30.070 6.143 14.444 1.00 17.01 H new ATOM 0 HD23 LEU A 783 29.537 5.860 12.980 1.00 17.01 H new ATOM 693 N LEU A 784 25.672 3.018 13.173 1.00 16.19 N ATOM 694 CA LEU A 784 24.567 3.010 12.233 1.00 17.13 C ATOM 695 C LEU A 784 23.215 2.742 12.833 1.00 17.45 C ATOM 696 O LEU A 784 22.234 3.507 12.536 1.00 18.22 O ATOM 697 CB LEU A 784 24.832 2.059 11.038 1.00 17.77 C ATOM 698 CG LEU A 784 23.706 2.028 9.976 1.00 18.17 C ATOM 699 CD1 LEU A 784 24.331 2.045 8.593 1.00 22.27 C ATOM 700 CD2 LEU A 784 22.796 0.855 10.125 1.00 20.21 C ATOM 0 H LEU A 784 26.301 2.460 12.992 1.00 16.19 H new ATOM 0 HA LEU A 784 24.528 3.924 11.912 1.00 17.13 H new ATOM 0 HB2 LEU A 784 25.660 2.324 10.607 1.00 17.77 H new ATOM 0 HB3 LEU A 784 24.964 1.160 11.378 1.00 17.77 H new ATOM 0 HG LEU A 784 23.154 2.815 10.107 1.00 18.17 H new ATOM 0 HD11 LEU A 784 23.631 2.026 7.921 1.00 22.27 H new ATOM 0 HD12 LEU A 784 24.859 2.852 8.486 1.00 22.27 H new ATOM 0 HD13 LEU A 784 24.902 1.269 8.486 1.00 22.27 H new ATOM 0 HD21 LEU A 784 22.113 0.886 9.437 1.00 20.21 H new ATOM 0 HD22 LEU A 784 23.307 0.035 10.036 1.00 20.21 H new ATOM 0 HD23 LEU A 784 22.376 0.880 10.999 1.00 20.21 H new ATOM 701 N LYS A 785 23.143 1.818 13.776 1.00 17.64 N ATOM 702 CA LYS A 785 21.931 1.538 14.518 1.00 16.66 C ATOM 703 C LYS A 785 21.402 2.753 15.297 1.00 17.19 C ATOM 704 O LYS A 785 20.191 2.993 15.333 1.00 17.95 O ATOM 705 CB LYS A 785 22.057 0.302 15.423 1.00 19.81 C ATOM 706 CG LYS A 785 22.106 -1.019 14.662 1.00 21.59 C ATOM 707 CD LYS A 785 20.694 -1.330 14.119 1.00 26.17 C ATOM 708 CE LYS A 785 20.710 -2.704 13.544 1.00 38.44 C ATOM 709 NZ LYS A 785 19.344 -3.251 13.605 1.00 40.92 N ATOM 0 H LYS A 785 23.811 1.327 14.006 1.00 17.64 H new ATOM 0 HA LYS A 785 21.266 1.330 13.843 1.00 16.66 H new ATOM 0 HB2 LYS A 785 22.861 0.386 15.960 1.00 19.81 H new ATOM 0 HB3 LYS A 785 21.306 0.284 16.037 1.00 19.81 H new ATOM 0 HG2 LYS A 785 22.742 -0.963 13.932 1.00 21.59 H new ATOM 0 HG3 LYS A 785 22.406 -1.733 15.246 1.00 21.59 H new ATOM 0 HD2 LYS A 785 20.037 -1.268 14.830 1.00 26.17 H new ATOM 0 HD3 LYS A 785 20.441 -0.683 13.442 1.00 26.17 H new ATOM 0 HE2 LYS A 785 21.024 -2.682 12.626 1.00 38.44 H new ATOM 0 HE3 LYS A 785 21.322 -3.270 14.040 1.00 38.44 H new ATOM 0 HZ1 LYS A 785 19.338 -4.073 13.264 1.00 40.92 H new ATOM 0 HZ2 LYS A 785 19.073 -3.279 14.452 1.00 40.92 H new ATOM 0 HZ3 LYS A 785 18.795 -2.732 13.135 1.00 40.92 H new ATOM 710 N VAL A 786 22.281 3.562 15.863 1.00 16.12 N ATOM 711 CA VAL A 786 21.831 4.806 16.495 1.00 16.44 C ATOM 712 C VAL A 786 21.278 5.792 15.476 1.00 15.44 C ATOM 713 O VAL A 786 20.228 6.434 15.693 1.00 16.32 O ATOM 714 CB VAL A 786 22.968 5.430 17.377 1.00 16.02 C ATOM 715 CG1 VAL A 786 22.599 6.812 17.927 1.00 15.53 C ATOM 716 CG2 VAL A 786 23.355 4.383 18.463 1.00 15.24 C ATOM 0 H VAL A 786 23.129 3.420 15.896 1.00 16.12 H new ATOM 0 HA VAL A 786 21.095 4.589 17.088 1.00 16.44 H new ATOM 0 HB VAL A 786 23.752 5.614 16.837 1.00 16.02 H new ATOM 0 HG11 VAL A 786 23.332 7.153 18.463 1.00 15.53 H new ATOM 0 HG12 VAL A 786 22.428 7.419 17.190 1.00 15.53 H new ATOM 0 HG13 VAL A 786 21.803 6.740 18.477 1.00 15.53 H new ATOM 0 HG21 VAL A 786 24.059 4.744 19.025 1.00 15.24 H new ATOM 0 HG22 VAL A 786 22.579 4.180 19.008 1.00 15.24 H new ATOM 0 HG23 VAL A 786 23.669 3.572 18.033 1.00 15.24 H new ATOM 717 N TYR A 787 21.974 6.009 14.342 1.00 16.26 N ATOM 718 CA TYR A 787 21.455 6.885 13.286 1.00 16.23 C ATOM 719 C TYR A 787 20.128 6.393 12.741 1.00 17.81 C ATOM 720 O TYR A 787 19.346 7.227 12.260 1.00 19.66 O ATOM 721 CB TYR A 787 22.474 7.056 12.142 1.00 16.69 C ATOM 722 CG TYR A 787 23.605 8.006 12.347 1.00 17.21 C ATOM 723 CD1 TYR A 787 23.460 9.392 12.077 1.00 19.54 C ATOM 724 CD2 TYR A 787 24.873 7.591 12.737 1.00 15.39 C ATOM 725 CE1 TYR A 787 24.548 10.256 12.166 1.00 18.08 C ATOM 726 CE2 TYR A 787 25.899 8.458 12.847 1.00 15.69 C ATOM 727 CZ TYR A 787 25.774 9.784 12.578 1.00 18.17 C ATOM 728 OH TYR A 787 26.857 10.678 12.628 1.00 15.92 O ATOM 0 H TYR A 787 22.741 5.659 14.172 1.00 16.26 H new ATOM 0 HA TYR A 787 21.305 7.752 13.694 1.00 16.23 H new ATOM 0 HB2 TYR A 787 22.851 6.184 11.947 1.00 16.69 H new ATOM 0 HB3 TYR A 787 21.988 7.339 11.351 1.00 16.69 H new ATOM 0 HD1 TYR A 787 22.626 9.728 11.837 1.00 19.54 H new ATOM 0 HD2 TYR A 787 25.017 6.692 12.927 1.00 15.39 H new ATOM 0 HE1 TYR A 787 24.446 11.154 11.947 1.00 18.08 H new ATOM 0 HE2 TYR A 787 26.728 8.135 13.119 1.00 15.69 H new ATOM 0 HH TYR A 787 26.642 11.400 12.256 1.00 15.92 H new ATOM 729 N CYS A 788 19.826 5.105 12.824 1.00 15.84 N ATOM 730 CA CYS A 788 18.548 4.563 12.339 1.00 19.90 C ATOM 731 C CYS A 788 17.366 5.151 13.118 1.00 21.79 C ATOM 732 O CYS A 788 16.229 5.112 12.627 1.00 20.38 O ATOM 733 CB CYS A 788 18.466 3.043 12.408 1.00 19.31 C ATOM 734 SG CYS A 788 19.422 2.233 11.096 1.00 22.23 S ATOM 0 H CYS A 788 20.352 4.514 13.162 1.00 15.84 H new ATOM 0 HA CYS A 788 18.501 4.822 11.405 1.00 19.90 H new ATOM 0 HB2 CYS A 788 18.790 2.744 13.272 1.00 19.31 H new ATOM 0 HB3 CYS A 788 17.538 2.769 12.343 1.00 19.31 H new ATOM 0 HG CYS A 788 20.588 2.476 11.242 1.00 22.23 H new ATOM 735 N ASP A 789 17.607 5.578 14.338 1.00 20.60 N ATOM 736 CA ASP A 789 16.512 6.175 15.145 1.00 21.04 C ATOM 737 C ASP A 789 16.350 7.629 14.796 1.00 18.62 C ATOM 738 O ASP A 789 17.314 8.382 14.796 1.00 18.59 O ATOM 739 CB ASP A 789 16.776 6.049 16.646 1.00 23.25 C ATOM 740 CG ASP A 789 15.508 6.330 17.471 1.00 31.11 C ATOM 741 OD1 ASP A 789 15.069 7.517 17.637 1.00 28.39 O ATOM 742 OD2 ASP A 789 14.859 5.308 17.824 1.00 32.74 O ATOM 0 H ASP A 789 18.372 5.542 14.729 1.00 20.60 H new ATOM 0 HA ASP A 789 15.700 5.687 14.936 1.00 21.04 H new ATOM 0 HB2 ASP A 789 17.100 5.157 16.844 1.00 23.25 H new ATOM 0 HB3 ASP A 789 17.475 6.669 16.905 1.00 23.25 H new ATOM 743 N SER A 790 15.114 8.071 14.503 1.00 22.87 N ATOM 744 CA SER A 790 14.962 9.485 14.116 1.00 22.63 C ATOM 745 C SER A 790 15.404 10.511 15.176 1.00 19.87 C ATOM 746 O SER A 790 15.827 11.611 14.800 1.00 19.99 O ATOM 747 CB SER A 790 13.493 9.742 13.683 1.00 25.05 C ATOM 748 OG SER A 790 12.704 9.423 14.823 1.00 32.18 O ATOM 0 H SER A 790 14.393 7.602 14.520 1.00 22.87 H new ATOM 0 HA SER A 790 15.574 9.625 13.376 1.00 22.63 H new ATOM 0 HB2 SER A 790 13.364 10.665 13.415 1.00 25.05 H new ATOM 0 HB3 SER A 790 13.250 9.189 12.924 1.00 25.05 H new ATOM 0 HG SER A 790 12.388 8.649 14.738 1.00 32.18 H new ATOM 749 N LYS A 791 15.423 10.140 16.461 1.00 16.87 N ATOM 750 CA LYS A 791 15.814 10.981 17.548 1.00 18.92 C ATOM 751 C LYS A 791 17.324 11.234 17.556 1.00 18.93 C ATOM 752 O LYS A 791 17.830 12.147 18.235 1.00 18.69 O ATOM 753 CB LYS A 791 15.323 10.453 18.870 1.00 20.79 C ATOM 754 CG LYS A 791 13.844 10.544 19.119 1.00 25.82 C ATOM 755 CD LYS A 791 13.439 9.564 20.228 1.00 27.82 C ATOM 756 CE LYS A 791 11.953 9.524 20.493 1.00 30.16 C ATOM 757 NZ LYS A 791 11.531 10.718 21.262 1.00 31.21 N ATOM 0 H LYS A 791 15.194 9.351 16.715 1.00 16.87 H new ATOM 0 HA LYS A 791 15.385 11.840 17.412 1.00 18.92 H new ATOM 0 HB2 LYS A 791 15.587 9.522 18.942 1.00 20.79 H new ATOM 0 HB3 LYS A 791 15.780 10.933 19.578 1.00 20.79 H new ATOM 0 HG2 LYS A 791 13.606 11.449 19.374 1.00 25.82 H new ATOM 0 HG3 LYS A 791 13.358 10.342 18.304 1.00 25.82 H new ATOM 0 HD2 LYS A 791 13.740 8.674 19.987 1.00 27.82 H new ATOM 0 HD3 LYS A 791 13.899 9.807 21.047 1.00 27.82 H new ATOM 0 HE2 LYS A 791 11.470 9.486 19.653 1.00 30.16 H new ATOM 0 HE3 LYS A 791 11.728 8.719 20.986 1.00 30.16 H new ATOM 0 HZ1 LYS A 791 10.666 10.653 21.461 1.00 31.21 H new ATOM 0 HZ2 LYS A 791 12.005 10.770 22.014 1.00 31.21 H new ATOM 0 HZ3 LYS A 791 11.669 11.450 20.774 1.00 31.21 H new ATOM 758 N SER A 792 18.063 10.468 16.729 1.00 20.29 N ATOM 759 CA SER A 792 19.464 10.780 16.572 1.00 19.90 C ATOM 760 C SER A 792 19.780 12.155 15.974 1.00 19.06 C ATOM 761 O SER A 792 20.865 12.685 16.212 1.00 19.77 O ATOM 762 CB SER A 792 20.136 9.684 15.709 1.00 18.78 C ATOM 763 OG SER A 792 19.688 9.759 14.372 1.00 19.44 O ATOM 0 H SER A 792 17.774 9.797 16.276 1.00 20.29 H new ATOM 0 HA SER A 792 19.819 10.809 17.474 1.00 19.90 H new ATOM 0 HB2 SER A 792 21.100 9.788 15.739 1.00 18.78 H new ATOM 0 HB3 SER A 792 19.934 8.808 16.074 1.00 18.78 H new ATOM 0 HG SER A 792 18.938 9.386 14.306 1.00 19.44 H new ATOM 764 N CYS A 793 18.825 12.789 15.257 1.00 22.31 N ATOM 765 CA CYS A 793 19.025 14.171 14.776 1.00 21.22 C ATOM 766 C CYS A 793 19.498 15.150 15.804 1.00 19.55 C ATOM 767 O CYS A 793 20.353 16.012 15.553 1.00 20.72 O ATOM 768 CB CYS A 793 17.712 14.700 14.077 1.00 25.50 C ATOM 769 SG CYS A 793 16.321 14.893 15.209 1.00 26.81 S ATOM 0 H CYS A 793 18.068 12.440 15.044 1.00 22.31 H new ATOM 0 HA CYS A 793 19.753 14.111 14.138 1.00 21.22 H new ATOM 0 HB2 CYS A 793 17.899 15.554 13.658 1.00 25.50 H new ATOM 0 HB3 CYS A 793 17.461 14.086 13.369 1.00 25.50 H new ATOM 0 HG CYS A 793 15.784 13.832 15.369 1.00 26.81 H new ATOM 770 N PHE A 794 19.043 14.982 17.049 1.00 17.76 N ATOM 771 CA PHE A 794 19.416 15.860 18.124 1.00 18.39 C ATOM 772 C PHE A 794 20.882 15.824 18.520 1.00 19.51 C ATOM 773 O PHE A 794 21.407 16.796 19.081 1.00 21.32 O ATOM 774 CB PHE A 794 18.571 15.643 19.355 1.00 19.28 C ATOM 775 CG PHE A 794 17.123 15.991 19.165 1.00 17.97 C ATOM 776 CD1 PHE A 794 16.725 17.322 19.061 1.00 20.55 C ATOM 777 CD2 PHE A 794 16.150 14.982 19.157 1.00 20.11 C ATOM 778 CE1 PHE A 794 15.375 17.621 18.868 1.00 20.89 C ATOM 779 CE2 PHE A 794 14.774 15.283 18.993 1.00 23.07 C ATOM 780 CZ PHE A 794 14.411 16.633 18.820 1.00 21.79 C ATOM 0 H PHE A 794 18.508 14.349 17.280 1.00 17.76 H new ATOM 0 HA PHE A 794 19.251 16.741 17.752 1.00 18.39 H new ATOM 0 HB2 PHE A 794 18.639 14.714 19.624 1.00 19.28 H new ATOM 0 HB3 PHE A 794 18.930 16.176 20.082 1.00 19.28 H new ATOM 0 HD1 PHE A 794 17.353 18.005 19.120 1.00 20.55 H new ATOM 0 HD2 PHE A 794 16.413 14.096 19.262 1.00 20.11 H new ATOM 0 HE1 PHE A 794 15.118 18.509 18.769 1.00 20.89 H new ATOM 0 HE2 PHE A 794 14.132 14.610 18.999 1.00 23.07 H new ATOM 0 HZ PHE A 794 13.521 16.859 18.673 1.00 21.79 H new ATOM 781 N PHE A 795 21.505 14.686 18.200 1.00 17.71 N ATOM 782 CA PHE A 795 22.856 14.383 18.621 1.00 16.64 C ATOM 783 C PHE A 795 23.848 14.280 17.430 1.00 17.42 C ATOM 784 O PHE A 795 25.013 13.972 17.660 1.00 19.50 O ATOM 785 CB PHE A 795 22.818 13.051 19.410 1.00 17.97 C ATOM 786 CG PHE A 795 21.910 13.096 20.629 1.00 16.14 C ATOM 787 CD1 PHE A 795 22.273 13.810 21.703 1.00 19.26 C ATOM 788 CD2 PHE A 795 20.661 12.453 20.597 1.00 17.94 C ATOM 789 CE1 PHE A 795 21.441 13.895 22.800 1.00 18.52 C ATOM 790 CE2 PHE A 795 19.801 12.548 21.675 1.00 19.02 C ATOM 791 CZ PHE A 795 20.214 13.266 22.773 1.00 17.51 C ATOM 0 H PHE A 795 21.142 14.067 17.726 1.00 17.71 H new ATOM 0 HA PHE A 795 23.180 15.109 19.176 1.00 16.64 H new ATOM 0 HB2 PHE A 795 22.520 12.342 18.819 1.00 17.97 H new ATOM 0 HB3 PHE A 795 23.718 12.825 19.694 1.00 17.97 H new ATOM 0 HD1 PHE A 795 23.092 14.251 21.709 1.00 19.26 H new ATOM 0 HD2 PHE A 795 20.412 11.962 19.848 1.00 17.94 H new ATOM 0 HE1 PHE A 795 21.706 14.373 23.553 1.00 18.52 H new ATOM 0 HE2 PHE A 795 18.966 12.138 21.658 1.00 19.02 H new ATOM 0 HZ PHE A 795 19.654 13.329 23.513 1.00 17.51 H new ATOM 792 N ALA A 796 23.418 14.521 16.202 1.00 18.59 N ATOM 793 CA ALA A 796 24.253 14.311 15.020 1.00 18.78 C ATOM 794 C ALA A 796 25.307 15.357 14.799 1.00 18.32 C ATOM 795 O ALA A 796 26.487 15.013 14.528 1.00 19.49 O ATOM 796 CB ALA A 796 23.429 14.163 13.805 1.00 20.10 C ATOM 0 H ALA A 796 22.629 14.813 16.025 1.00 18.59 H new ATOM 0 HA ALA A 796 24.730 13.486 15.201 1.00 18.78 H new ATOM 0 HB1 ALA A 796 24.006 14.025 13.037 1.00 20.10 H new ATOM 0 HB2 ALA A 796 22.838 13.401 13.906 1.00 20.10 H new ATOM 0 HB3 ALA A 796 22.901 14.966 13.672 1.00 20.10 H new ATOM 797 N SER A 797 24.944 16.633 14.940 1.00 20.30 N ATOM 798 CA SER A 797 25.873 17.681 14.610 1.00 19.44 C ATOM 799 C SER A 797 26.359 18.419 15.820 1.00 19.18 C ATOM 800 O SER A 797 25.897 18.198 16.935 1.00 21.69 O ATOM 801 CB SER A 797 25.231 18.632 13.574 1.00 25.23 C ATOM 802 OG SER A 797 24.217 19.252 14.264 1.00 27.87 O ATOM 0 H SER A 797 24.176 16.898 15.221 1.00 20.30 H new ATOM 0 HA SER A 797 26.662 17.275 14.217 1.00 19.44 H new ATOM 0 HB2 SER A 797 25.875 19.275 13.237 1.00 25.23 H new ATOM 0 HB3 SER A 797 24.891 18.143 12.808 1.00 25.23 H new ATOM 0 HG SER A 797 24.427 20.052 14.412 1.00 27.87 H new ATOM 803 N GLU A 798 27.302 19.337 15.619 1.00 19.34 N ATOM 804 CA GLU A 798 27.998 19.965 16.750 1.00 19.80 C ATOM 805 C GLU A 798 27.064 20.846 17.549 1.00 20.78 C ATOM 806 O GLU A 798 26.408 21.727 16.951 1.00 25.31 O ATOM 807 CB GLU A 798 29.218 20.750 16.293 1.00 22.59 C ATOM 808 CG GLU A 798 30.055 21.341 17.384 1.00 24.64 C ATOM 809 CD GLU A 798 31.347 22.043 16.894 1.00 27.89 C ATOM 810 OE1 GLU A 798 31.606 22.181 15.635 1.00 31.80 O ATOM 811 OE2 GLU A 798 32.154 22.405 17.785 1.00 31.52 O ATOM 0 H GLU A 798 27.555 19.611 14.844 1.00 19.34 H new ATOM 0 HA GLU A 798 28.306 19.250 17.328 1.00 19.80 H new ATOM 0 HB2 GLU A 798 29.778 20.164 15.759 1.00 22.59 H new ATOM 0 HB3 GLU A 798 28.921 21.467 15.711 1.00 22.59 H new ATOM 0 HG2 GLU A 798 29.519 21.982 17.876 1.00 24.64 H new ATOM 0 HG3 GLU A 798 30.299 20.638 18.006 1.00 24.64 H new ATOM 812 N PRO A 799 26.913 20.579 18.836 1.00 20.34 N ATOM 813 CA PRO A 799 25.986 21.311 19.674 1.00 24.18 C ATOM 814 C PRO A 799 26.562 22.663 20.118 1.00 25.04 C ATOM 815 O PRO A 799 27.773 22.891 19.990 1.00 25.17 O ATOM 816 CB PRO A 799 25.866 20.391 20.876 1.00 22.23 C ATOM 817 CG PRO A 799 27.229 19.870 21.021 1.00 24.64 C ATOM 818 CD PRO A 799 27.690 19.610 19.633 1.00 22.99 C ATOM 0 HA PRO A 799 25.151 21.517 19.226 1.00 24.18 H new ATOM 0 HB2 PRO A 799 25.577 20.870 21.669 1.00 22.23 H new ATOM 0 HB3 PRO A 799 25.223 19.681 20.723 1.00 22.23 H new ATOM 0 HG2 PRO A 799 27.804 20.510 21.468 1.00 24.64 H new ATOM 0 HG3 PRO A 799 27.240 19.059 21.553 1.00 24.64 H new ATOM 0 HD2 PRO A 799 28.645 19.752 19.539 1.00 22.99 H new ATOM 0 HD3 PRO A 799 27.511 18.696 19.361 1.00 22.99 H new ATOM 819 N TYR A 800 25.696 23.540 20.659 1.00 24.99 N ATOM 820 CA TYR A 800 26.147 24.703 21.400 1.00 25.15 C ATOM 821 C TYR A 800 25.281 24.923 22.631 1.00 24.27 C ATOM 822 O TYR A 800 24.164 24.427 22.744 1.00 23.92 O ATOM 823 CB TYR A 800 26.194 25.930 20.489 1.00 28.13 C ATOM 824 CG TYR A 800 24.836 26.344 20.012 1.00 35.66 C ATOM 825 CD1 TYR A 800 24.380 25.966 18.749 1.00 42.44 C ATOM 826 CD2 TYR A 800 24.033 27.194 20.807 1.00 46.15 C ATOM 827 CE1 TYR A 800 23.135 26.410 18.274 1.00 49.99 C ATOM 828 CE2 TYR A 800 22.782 27.630 20.355 1.00 55.99 C ATOM 829 CZ TYR A 800 22.345 27.247 19.088 1.00 57.19 C ATOM 830 OH TYR A 800 21.122 27.692 18.643 1.00 70.13 O ATOM 0 H TYR A 800 24.841 23.467 20.600 1.00 24.99 H new ATOM 0 HA TYR A 800 27.051 24.548 21.716 1.00 25.15 H new ATOM 0 HB2 TYR A 800 26.604 26.668 20.967 1.00 28.13 H new ATOM 0 HB3 TYR A 800 26.758 25.739 19.723 1.00 28.13 H new ATOM 0 HD1 TYR A 800 24.906 25.414 18.216 1.00 42.44 H new ATOM 0 HD2 TYR A 800 24.340 27.467 21.641 1.00 46.15 H new ATOM 0 HE1 TYR A 800 22.835 26.155 17.432 1.00 49.99 H new ATOM 0 HE2 TYR A 800 22.249 28.169 20.894 1.00 55.99 H new ATOM 0 HH TYR A 800 20.769 28.177 19.231 1.00 70.13 H new ATOM 831 N TYR A 801 25.854 25.600 23.607 1.00 21.48 N ATOM 832 CA TYR A 801 25.344 25.598 24.947 1.00 20.72 C ATOM 833 C TYR A 801 25.221 27.057 25.515 1.00 23.58 C ATOM 834 O TYR A 801 26.202 27.673 26.030 1.00 21.32 O ATOM 835 CB TYR A 801 26.354 24.819 25.808 1.00 21.82 C ATOM 836 CG TYR A 801 26.414 23.364 25.351 1.00 21.39 C ATOM 837 CD1 TYR A 801 25.422 22.449 25.754 1.00 21.67 C ATOM 838 CD2 TYR A 801 27.442 22.916 24.536 1.00 22.58 C ATOM 839 CE1 TYR A 801 25.511 21.085 25.383 1.00 23.64 C ATOM 840 CE2 TYR A 801 27.523 21.594 24.105 1.00 22.67 C ATOM 841 CZ TYR A 801 26.546 20.663 24.560 1.00 22.60 C ATOM 842 OH TYR A 801 26.555 19.316 24.206 1.00 22.86 O ATOM 0 H TYR A 801 26.561 26.079 23.502 1.00 21.48 H new ATOM 0 HA TYR A 801 24.461 25.197 24.960 1.00 20.72 H new ATOM 0 HB2 TYR A 801 27.232 25.225 25.737 1.00 21.82 H new ATOM 0 HB3 TYR A 801 26.096 24.862 26.742 1.00 21.82 H new ATOM 0 HD1 TYR A 801 24.704 22.742 26.267 1.00 21.67 H new ATOM 0 HD2 TYR A 801 28.099 23.518 24.268 1.00 22.58 H new ATOM 0 HE1 TYR A 801 24.879 20.475 25.689 1.00 23.64 H new ATOM 0 HE2 TYR A 801 28.203 21.324 23.531 1.00 22.67 H new ATOM 0 HH TYR A 801 25.828 18.962 24.432 1.00 22.86 H new ATOM 843 N ASN A 802 23.985 27.528 25.543 1.00 23.58 N ATOM 844 CA ASN A 802 23.707 28.840 26.131 1.00 23.32 C ATOM 845 C ASN A 802 22.308 28.867 26.711 1.00 22.84 C ATOM 846 O ASN A 802 21.366 29.218 26.033 1.00 26.06 O ATOM 847 CB ASN A 802 23.970 30.008 25.135 1.00 22.76 C ATOM 848 CG ASN A 802 23.966 31.365 25.850 1.00 25.67 C ATOM 849 OD1 ASN A 802 23.840 31.414 27.076 1.00 24.15 O ATOM 850 ND2 ASN A 802 24.228 32.445 25.103 1.00 24.90 N ATOM 0 H ASN A 802 23.297 27.115 25.233 1.00 23.58 H new ATOM 0 HA ASN A 802 24.332 28.982 26.859 1.00 23.32 H new ATOM 0 HB2 ASN A 802 24.824 29.874 24.696 1.00 22.76 H new ATOM 0 HB3 ASN A 802 23.291 30.004 24.442 1.00 22.76 H new ATOM 0 HD21 ASN A 802 24.316 33.215 25.476 1.00 24.90 H new ATOM 0 HD22 ASN A 802 24.309 32.369 24.250 1.00 24.90 H new ATOM 851 N ARG A 803 22.249 28.434 27.964 1.00 24.71 N ATOM 852 CA AARG A 803 21.008 28.207 28.700 0.43 28.26 C ATOM 853 CA BARG A 803 21.009 28.190 28.694 0.57 26.78 C ATOM 854 C ARG A 803 21.186 28.777 30.076 1.00 27.29 C ATOM 855 O ARG A 803 22.196 28.523 30.737 1.00 29.28 O ATOM 856 CB AARG A 803 20.699 26.719 28.822 0.43 30.64 C ATOM 857 CB BARG A 803 20.732 26.688 28.796 0.57 27.02 C ATOM 858 CG AARG A 803 19.765 26.306 29.969 0.43 33.21 C ATOM 859 CG BARG A 803 19.417 26.260 29.478 0.57 26.86 C ATOM 860 CD AARG A 803 19.362 24.843 29.845 0.43 36.51 C ATOM 861 CD BARG A 803 19.346 24.778 29.850 0.57 30.41 C ATOM 862 NE AARG A 803 18.163 24.704 29.050 0.43 39.37 N ATOM 863 NE BARG A 803 18.013 24.566 30.389 0.57 30.80 N ATOM 864 CZ AARG A 803 16.960 24.504 29.566 0.43 39.40 C ATOM 865 CZ BARG A 803 17.647 24.109 31.577 0.57 38.11 C ATOM 866 NH1AARG A 803 16.797 24.405 30.874 0.43 43.62 N ATOM 867 NH1BARG A 803 18.496 23.643 32.479 0.57 41.05 N ATOM 868 NH2AARG A 803 15.937 24.406 28.758 0.43 32.85 N ATOM 869 NH2BARG A 803 16.343 24.054 31.831 0.57 46.02 N ATOM 0 H AARG A 803 22.953 28.258 28.426 0.43 24.71 H new ATOM 0 H BARG A 803 22.953 28.268 28.430 0.57 24.71 H new ATOM 0 HA AARG A 803 20.274 28.629 28.227 0.43 26.78 H new ATOM 0 HA BARG A 803 20.258 28.597 28.235 0.57 26.78 H new ATOM 0 HB2AARG A 803 20.305 26.421 27.987 0.43 27.02 H new ATOM 0 HB2BARG A 803 20.740 26.319 27.899 0.57 27.02 H new ATOM 0 HB3AARG A 803 21.537 26.242 28.926 0.43 27.02 H new ATOM 0 HB3BARG A 803 21.468 26.278 29.277 0.57 27.02 H new ATOM 0 HG2AARG A 803 20.208 26.452 30.820 0.43 26.86 H new ATOM 0 HG2BARG A 803 19.296 26.789 30.282 0.57 26.86 H new ATOM 0 HG3AARG A 803 18.972 26.865 29.962 0.43 26.86 H new ATOM 0 HG3BARG A 803 18.677 26.469 28.887 0.57 26.86 H new ATOM 0 HD2AARG A 803 20.084 24.338 29.439 0.43 30.41 H new ATOM 0 HD2BARG A 803 19.500 24.217 29.074 0.57 30.41 H new ATOM 0 HD3AARG A 803 19.215 24.468 30.727 0.43 30.41 H new ATOM 0 HD3BARG A 803 20.026 24.551 30.504 0.57 30.41 H new ATOM 0 HE AARG A 803 18.235 24.754 28.194 0.43 30.80 H new ATOM 0 HE BARG A 803 17.367 24.767 29.858 0.57 30.80 H new ATOM 0 HH11AARG A 803 17.476 24.471 31.398 0.43 41.05 H new ATOM 0 HH11BARG A 803 19.339 23.625 32.308 0.57 41.05 H new ATOM 0 HH12AARG A 803 16.012 24.275 31.201 0.43 41.05 H new ATOM 0 HH12BARG A 803 18.205 23.358 33.236 0.57 41.05 H new ATOM 0 HH21AARG A 803 16.052 24.471 27.908 0.43 46.02 H new ATOM 0 HH21BARG A 803 15.778 24.309 31.235 0.57 46.02 H new ATOM 0 HH22AARG A 803 15.149 24.276 29.076 0.43 46.02 H new ATOM 0 HH22BARG A 803 16.065 23.763 32.591 0.57 46.02 H new ATOM 870 N GLU A 804 20.216 29.577 30.506 1.00 31.47 N ATOM 871 CA GLU A 804 20.307 30.177 31.842 1.00 34.38 C ATOM 872 C GLU A 804 20.362 29.058 32.875 1.00 32.91 C ATOM 873 O GLU A 804 19.613 28.100 32.785 1.00 32.56 O ATOM 874 CB GLU A 804 19.095 31.094 32.098 1.00 41.50 C ATOM 875 CG GLU A 804 19.129 31.757 33.470 1.00 57.17 C ATOM 876 CD GLU A 804 17.873 32.590 33.743 1.00 70.60 C ATOM 877 OE1 GLU A 804 17.225 33.082 32.770 1.00 73.21 O ATOM 878 OE2 GLU A 804 17.531 32.737 34.941 1.00 75.51 O ATOM 0 H GLU A 804 19.512 29.784 30.057 1.00 31.47 H new ATOM 0 HA GLU A 804 21.109 30.718 31.908 1.00 34.38 H new ATOM 0 HB2 GLU A 804 19.065 31.780 31.413 1.00 41.50 H new ATOM 0 HB3 GLU A 804 18.280 30.575 32.015 1.00 41.50 H new ATOM 0 HG2 GLU A 804 19.218 31.075 34.154 1.00 57.17 H new ATOM 0 HG3 GLU A 804 19.912 32.326 33.533 1.00 57.17 H new ATOM 879 N GLY A 805 21.288 29.152 33.819 1.00 32.02 N ATOM 880 CA GLY A 805 21.426 28.145 34.861 1.00 35.09 C ATOM 881 C GLY A 805 22.257 26.923 34.540 1.00 36.52 C ATOM 882 O GLY A 805 22.426 26.079 35.407 1.00 37.91 O ATOM 0 H GLY A 805 21.852 29.799 33.874 1.00 32.02 H new ATOM 0 HA2 GLY A 805 21.810 28.572 35.642 1.00 35.09 H new ATOM 0 HA3 GLY A 805 20.537 27.847 35.109 1.00 35.09 H new ATOM 883 N SER A 806 22.829 26.844 33.331 1.00 31.12 N ATOM 884 CA SER A 806 23.637 25.691 32.933 1.00 31.80 C ATOM 885 C SER A 806 24.921 26.148 32.303 1.00 31.00 C ATOM 886 O SER A 806 24.981 27.211 31.687 1.00 29.52 O ATOM 887 CB SER A 806 22.852 24.796 31.928 1.00 37.20 C ATOM 888 OG SER A 806 21.900 24.023 32.615 1.00 39.16 O ATOM 0 H SER A 806 22.759 27.452 32.727 1.00 31.12 H new ATOM 0 HA SER A 806 23.838 25.172 33.727 1.00 31.80 H new ATOM 0 HB2 SER A 806 22.412 25.351 31.265 1.00 37.20 H new ATOM 0 HB3 SER A 806 23.467 24.217 31.451 1.00 37.20 H new ATOM 0 HG SER A 806 21.763 23.309 32.195 1.00 39.16 H new ATOM 889 N GLN A 807 25.937 25.321 32.454 1.00 30.19 N ATOM 890 CA GLN A 807 27.173 25.542 31.799 1.00 35.77 C ATOM 891 C GLN A 807 27.386 24.386 30.795 1.00 31.34 C ATOM 892 O GLN A 807 27.086 23.226 31.103 1.00 26.91 O ATOM 893 CB GLN A 807 28.301 25.558 32.832 1.00 44.16 C ATOM 894 CG GLN A 807 28.591 26.919 33.451 1.00 58.83 C ATOM 895 CD GLN A 807 29.061 27.939 32.416 1.00 71.29 C ATOM 896 OE1 GLN A 807 29.759 27.579 31.455 1.00 63.33 O ATOM 897 NE2 GLN A 807 28.652 29.221 32.586 1.00 82.07 N ATOM 0 H GLN A 807 25.915 24.615 32.945 1.00 30.19 H new ATOM 0 HA GLN A 807 27.171 26.393 31.334 1.00 35.77 H new ATOM 0 HB2 GLN A 807 28.079 24.936 33.542 1.00 44.16 H new ATOM 0 HB3 GLN A 807 29.111 25.231 32.411 1.00 44.16 H new ATOM 0 HG2 GLN A 807 27.791 27.250 33.888 1.00 58.83 H new ATOM 0 HG3 GLN A 807 29.270 26.822 34.137 1.00 58.83 H new ATOM 0 HE21 GLN A 807 28.169 29.432 33.265 1.00 82.07 H new ATOM 0 HE22 GLN A 807 28.876 29.823 32.014 1.00 82.07 H new ATOM 898 N GLY A 808 27.983 24.692 29.660 1.00 27.72 N ATOM 899 CA GLY A 808 28.261 23.627 28.686 1.00 28.86 C ATOM 900 C GLY A 808 29.273 22.568 29.197 1.00 26.47 C ATOM 901 O GLY A 808 30.072 22.840 30.099 1.00 27.49 O ATOM 0 H GLY A 808 28.233 25.482 29.428 1.00 27.72 H new ATOM 0 HA2 GLY A 808 27.429 23.184 28.456 1.00 28.86 H new ATOM 0 HA3 GLY A 808 28.605 24.026 27.871 1.00 28.86 H new ATOM 902 N PRO A 809 29.299 21.377 28.558 1.00 23.82 N ATOM 903 CA PRO A 809 30.243 20.330 28.965 1.00 24.17 C ATOM 904 C PRO A 809 31.670 20.719 28.636 1.00 23.07 C ATOM 905 O PRO A 809 31.937 21.351 27.575 1.00 24.00 O ATOM 906 CB PRO A 809 29.809 19.125 28.080 1.00 22.45 C ATOM 907 CG PRO A 809 29.126 19.710 26.928 1.00 24.88 C ATOM 908 CD PRO A 809 28.332 20.864 27.602 1.00 22.12 C ATOM 0 HA PRO A 809 30.225 20.154 29.919 1.00 24.17 H new ATOM 0 HB2 PRO A 809 30.577 18.602 27.802 1.00 22.45 H new ATOM 0 HB3 PRO A 809 29.221 18.528 28.568 1.00 22.45 H new ATOM 0 HG2 PRO A 809 29.749 20.036 26.260 1.00 24.88 H new ATOM 0 HG3 PRO A 809 28.543 19.073 26.486 1.00 24.88 H new ATOM 0 HD2 PRO A 809 28.060 21.540 26.962 1.00 22.12 H new ATOM 0 HD3 PRO A 809 27.526 20.545 28.037 1.00 22.12 H new ATOM 909 N GLN A 810 32.593 20.142 29.423 1.00 28.90 N ATOM 910 CA GLN A 810 34.011 20.281 29.189 1.00 30.49 C ATOM 911 C GLN A 810 34.449 19.660 27.889 1.00 29.25 C ATOM 912 O GLN A 810 35.420 20.160 27.253 1.00 29.82 O ATOM 913 CB GLN A 810 34.796 19.640 30.323 1.00 38.20 C ATOM 914 CG GLN A 810 34.448 20.171 31.708 1.00 49.56 C ATOM 915 CD GLN A 810 34.884 21.603 31.873 1.00 58.26 C ATOM 916 OE1 GLN A 810 36.014 21.968 31.549 1.00 68.55 O ATOM 917 NE2 GLN A 810 33.979 22.432 32.355 1.00 69.35 N ATOM 0 H GLN A 810 32.398 19.659 30.107 1.00 28.90 H new ATOM 0 HA GLN A 810 34.190 21.233 29.144 1.00 30.49 H new ATOM 0 HB2 GLN A 810 34.642 18.682 30.308 1.00 38.20 H new ATOM 0 HB3 GLN A 810 35.743 19.778 30.164 1.00 38.20 H new ATOM 0 HG2 GLN A 810 33.491 20.104 31.851 1.00 49.56 H new ATOM 0 HG3 GLN A 810 34.875 19.621 32.384 1.00 49.56 H new ATOM 0 HE21 GLN A 810 33.199 22.140 32.570 1.00 69.35 H new ATOM 0 HE22 GLN A 810 34.168 23.265 32.454 1.00 69.35 H new ATOM 918 N LYS A 811 33.777 18.569 27.473 1.00 25.75 N ATOM 919 CA LYS A 811 34.171 17.842 26.257 1.00 22.59 C ATOM 920 C LYS A 811 32.979 17.506 25.431 1.00 20.68 C ATOM 921 O LYS A 811 32.371 16.410 25.573 1.00 20.98 O ATOM 922 CB LYS A 811 34.977 16.597 26.625 1.00 25.57 C ATOM 923 CG LYS A 811 35.516 15.912 25.363 1.00 29.69 C ATOM 924 CD LYS A 811 36.326 14.664 25.705 1.00 32.83 C ATOM 925 CE LYS A 811 36.605 13.802 24.488 1.00 37.23 C ATOM 926 NZ LYS A 811 37.272 12.579 25.031 1.00 41.60 N ATOM 0 H LYS A 811 33.095 18.239 27.881 1.00 25.75 H new ATOM 0 HA LYS A 811 34.739 18.415 25.719 1.00 22.59 H new ATOM 0 HB2 LYS A 811 35.714 16.842 27.206 1.00 25.57 H new ATOM 0 HB3 LYS A 811 34.418 15.979 27.121 1.00 25.57 H new ATOM 0 HG2 LYS A 811 34.776 15.670 24.784 1.00 29.69 H new ATOM 0 HG3 LYS A 811 36.072 16.534 24.868 1.00 29.69 H new ATOM 0 HD2 LYS A 811 37.167 14.928 26.110 1.00 32.83 H new ATOM 0 HD3 LYS A 811 35.845 14.141 26.365 1.00 32.83 H new ATOM 0 HE2 LYS A 811 35.785 13.578 24.020 1.00 37.23 H new ATOM 0 HE3 LYS A 811 37.177 14.263 23.854 1.00 37.23 H new ATOM 0 HZ1 LYS A 811 37.884 12.292 24.452 1.00 41.60 H new ATOM 0 HZ2 LYS A 811 37.666 12.774 25.805 1.00 41.60 H new ATOM 0 HZ3 LYS A 811 36.664 11.942 25.160 1.00 41.60 H new ATOM 927 N PRO A 812 32.579 18.453 24.562 1.00 21.16 N ATOM 928 CA PRO A 812 31.426 18.205 23.735 1.00 22.99 C ATOM 929 C PRO A 812 31.682 17.027 22.792 1.00 21.59 C ATOM 930 O PRO A 812 32.842 16.744 22.464 1.00 24.71 O ATOM 931 CB PRO A 812 31.300 19.528 22.918 1.00 23.70 C ATOM 932 CG PRO A 812 32.007 20.594 23.811 1.00 22.09 C ATOM 933 CD PRO A 812 33.172 19.795 24.333 1.00 24.44 C ATOM 0 HA PRO A 812 30.630 17.980 24.242 1.00 22.99 H new ATOM 0 HB2 PRO A 812 31.728 19.452 22.051 1.00 23.70 H new ATOM 0 HB3 PRO A 812 30.372 19.759 22.757 1.00 23.70 H new ATOM 0 HG2 PRO A 812 32.291 21.370 23.303 1.00 22.09 H new ATOM 0 HG3 PRO A 812 31.433 20.916 24.523 1.00 22.09 H new ATOM 0 HD2 PRO A 812 33.900 19.762 23.693 1.00 24.44 H new ATOM 0 HD3 PRO A 812 33.530 20.174 25.151 1.00 24.44 H new ATOM 934 N MET A 813 30.621 16.365 22.357 1.00 19.04 N ATOM 935 CA MET A 813 30.682 15.171 21.558 1.00 17.77 C ATOM 936 C MET A 813 29.384 15.041 20.782 1.00 17.10 C ATOM 937 O MET A 813 28.325 15.383 21.264 1.00 18.66 O ATOM 938 CB MET A 813 30.962 13.889 22.434 1.00 19.43 C ATOM 939 CG MET A 813 31.388 12.601 21.680 1.00 20.46 C ATOM 940 SD MET A 813 32.679 12.802 20.422 1.00 21.30 S ATOM 941 CE MET A 813 33.920 13.373 21.517 1.00 24.97 C ATOM 0 H MET A 813 29.817 16.615 22.530 1.00 19.04 H new ATOM 0 HA MET A 813 31.425 15.241 20.939 1.00 17.77 H new ATOM 0 HB2 MET A 813 31.657 14.107 23.075 1.00 19.43 H new ATOM 0 HB3 MET A 813 30.160 13.690 22.942 1.00 19.43 H new ATOM 0 HG2 MET A 813 31.696 11.953 22.333 1.00 20.46 H new ATOM 0 HG3 MET A 813 30.603 12.223 21.254 1.00 20.46 H new ATOM 0 HE1 MET A 813 34.790 13.279 21.098 1.00 24.97 H new ATOM 0 HE2 MET A 813 33.762 14.307 21.727 1.00 24.97 H new ATOM 0 HE3 MET A 813 33.897 12.850 22.334 1.00 24.97 H new ATOM 942 N TRP A 814 29.454 14.519 19.594 1.00 17.02 N ATOM 943 CA TRP A 814 28.356 14.317 18.754 1.00 15.66 C ATOM 944 C TRP A 814 28.578 13.241 17.742 1.00 15.47 C ATOM 945 O TRP A 814 29.750 12.798 17.559 1.00 15.84 O ATOM 946 CB TRP A 814 27.985 15.690 18.051 1.00 14.11 C ATOM 947 CG TRP A 814 29.052 16.318 17.200 1.00 16.68 C ATOM 948 CD1 TRP A 814 29.139 16.252 15.860 1.00 15.92 C ATOM 949 CD2 TRP A 814 30.136 17.141 17.623 1.00 15.98 C ATOM 950 NE1 TRP A 814 30.255 16.947 15.404 1.00 18.66 N ATOM 951 CE2 TRP A 814 30.842 17.526 16.486 1.00 16.97 C ATOM 952 CE3 TRP A 814 30.606 17.556 18.879 1.00 18.54 C ATOM 953 CZ2 TRP A 814 31.996 18.317 16.554 1.00 19.82 C ATOM 954 CZ3 TRP A 814 31.753 18.351 18.941 1.00 22.13 C ATOM 955 CH2 TRP A 814 32.462 18.660 17.778 1.00 23.39 C ATOM 0 H TRP A 814 30.197 14.261 19.246 1.00 17.02 H new ATOM 0 HA TRP A 814 27.616 14.011 19.302 1.00 15.66 H new ATOM 0 HB2 TRP A 814 27.201 15.546 17.498 1.00 14.11 H new ATOM 0 HB3 TRP A 814 27.733 16.325 18.740 1.00 14.11 H new ATOM 0 HD1 TRP A 814 28.536 15.803 15.313 1.00 15.92 H new ATOM 0 HE1 TRP A 814 30.524 17.001 14.589 1.00 18.66 H new ATOM 0 HE3 TRP A 814 30.161 17.306 19.657 1.00 18.54 H new ATOM 0 HZ2 TRP A 814 32.429 18.598 15.781 1.00 19.82 H new ATOM 0 HZ3 TRP A 814 32.046 18.676 19.761 1.00 22.13 H new ATOM 0 HH2 TRP A 814 33.272 19.111 17.846 1.00 23.39 H new ATOM 956 N LEU A 815 27.489 12.749 17.128 1.00 14.72 N ATOM 957 CA LEU A 815 27.560 11.481 16.315 1.00 16.03 C ATOM 958 C LEU A 815 28.465 11.648 15.104 1.00 16.56 C ATOM 959 O LEU A 815 29.273 10.773 14.802 1.00 16.02 O ATOM 960 CB LEU A 815 26.228 10.957 15.874 1.00 16.03 C ATOM 961 CG LEU A 815 25.292 10.560 17.035 1.00 17.06 C ATOM 962 CD1 LEU A 815 23.868 10.349 16.504 1.00 17.93 C ATOM 963 CD2 LEU A 815 25.766 9.266 17.733 1.00 17.96 C ATOM 0 H LEU A 815 26.710 13.113 17.159 1.00 14.72 H new ATOM 0 HA LEU A 815 27.935 10.822 16.920 1.00 16.03 H new ATOM 0 HB2 LEU A 815 25.789 11.632 15.333 1.00 16.03 H new ATOM 0 HB3 LEU A 815 26.368 10.184 15.305 1.00 16.03 H new ATOM 0 HG LEU A 815 25.307 11.281 17.684 1.00 17.06 H new ATOM 0 HD11 LEU A 815 23.283 10.100 17.236 1.00 17.93 H new ATOM 0 HD12 LEU A 815 23.548 11.171 16.100 1.00 17.93 H new ATOM 0 HD13 LEU A 815 23.872 9.643 15.839 1.00 17.93 H new ATOM 0 HD21 LEU A 815 25.157 9.046 18.455 1.00 17.96 H new ATOM 0 HD22 LEU A 815 25.782 8.539 17.091 1.00 17.96 H new ATOM 0 HD23 LEU A 815 26.657 9.399 18.091 1.00 17.96 H new ATOM 964 N ASN A 816 28.388 12.805 14.448 1.00 16.42 N ATOM 965 CA ASN A 816 29.210 13.020 13.231 1.00 18.71 C ATOM 966 C ASN A 816 30.667 13.073 13.573 1.00 16.77 C ATOM 967 O ASN A 816 31.477 12.679 12.749 1.00 19.61 O ATOM 968 CB ASN A 816 28.790 14.262 12.434 1.00 19.57 C ATOM 969 CG ASN A 816 27.380 14.181 11.844 1.00 23.09 C ATOM 970 OD1 ASN A 816 26.758 13.128 11.701 1.00 22.54 O ATOM 971 ND2 ASN A 816 26.852 15.362 11.433 1.00 24.73 N ATOM 0 H ASN A 816 27.886 13.466 14.673 1.00 16.42 H new ATOM 0 HA ASN A 816 29.051 12.256 12.654 1.00 18.71 H new ATOM 0 HB2 ASN A 816 28.844 15.039 13.013 1.00 19.57 H new ATOM 0 HB3 ASN A 816 29.424 14.401 11.713 1.00 19.57 H new ATOM 0 HD21 ASN A 816 26.074 15.381 11.068 1.00 24.73 H new ATOM 0 HD22 ASN A 816 27.296 16.091 11.538 1.00 24.73 H new ATOM 972 N LYS A 817 31.035 13.521 14.754 1.00 16.40 N ATOM 973 CA LYS A 817 32.402 13.514 15.193 1.00 18.41 C ATOM 974 C LYS A 817 32.894 12.070 15.437 1.00 19.09 C ATOM 975 O LYS A 817 34.001 11.721 15.027 1.00 16.96 O ATOM 976 CB LYS A 817 32.600 14.330 16.467 1.00 17.72 C ATOM 977 CG LYS A 817 34.015 14.477 16.902 1.00 23.62 C ATOM 978 CD LYS A 817 34.001 15.411 18.096 1.00 29.42 C ATOM 979 CE LYS A 817 35.340 15.588 18.790 1.00 40.34 C ATOM 980 NZ LYS A 817 36.278 16.119 17.793 1.00 50.41 N ATOM 0 H LYS A 817 30.485 13.843 15.331 1.00 16.40 H new ATOM 0 HA LYS A 817 32.922 13.922 14.483 1.00 18.41 H new ATOM 0 HB2 LYS A 817 32.223 15.214 16.332 1.00 17.72 H new ATOM 0 HB3 LYS A 817 32.096 13.914 17.184 1.00 17.72 H new ATOM 0 HG2 LYS A 817 34.394 13.617 17.141 1.00 23.62 H new ATOM 0 HG3 LYS A 817 34.561 14.839 16.186 1.00 23.62 H new ATOM 0 HD2 LYS A 817 33.686 16.281 17.805 1.00 29.42 H new ATOM 0 HD3 LYS A 817 33.359 15.078 18.742 1.00 29.42 H new ATOM 0 HE2 LYS A 817 35.259 16.196 19.542 1.00 40.34 H new ATOM 0 HE3 LYS A 817 35.658 14.742 19.143 1.00 40.34 H new ATOM 0 HZ1 LYS A 817 37.006 16.424 18.203 1.00 50.41 H new ATOM 0 HZ2 LYS A 817 36.506 15.472 17.226 1.00 50.41 H new ATOM 0 HZ3 LYS A 817 35.891 16.783 17.345 1.00 50.41 H new ATOM 981 N VAL A 818 32.052 11.258 16.047 1.00 16.92 N ATOM 982 CA VAL A 818 32.368 9.800 16.251 1.00 16.52 C ATOM 983 C VAL A 818 32.473 9.113 14.901 1.00 18.74 C ATOM 984 O VAL A 818 33.381 8.324 14.646 1.00 17.75 O ATOM 985 CB VAL A 818 31.299 9.103 17.145 1.00 15.81 C ATOM 986 CG1 VAL A 818 31.644 7.634 17.240 1.00 16.02 C ATOM 987 CG2 VAL A 818 31.313 9.723 18.540 1.00 17.37 C ATOM 0 H VAL A 818 31.289 11.503 16.359 1.00 16.92 H new ATOM 0 HA VAL A 818 33.217 9.730 16.714 1.00 16.52 H new ATOM 0 HB VAL A 818 30.416 9.216 16.760 1.00 15.81 H new ATOM 0 HG11 VAL A 818 30.988 7.183 17.794 1.00 16.02 H new ATOM 0 HG12 VAL A 818 31.641 7.243 16.352 1.00 16.02 H new ATOM 0 HG13 VAL A 818 32.524 7.533 17.635 1.00 16.02 H new ATOM 0 HG21 VAL A 818 30.647 9.288 19.095 1.00 17.37 H new ATOM 0 HG22 VAL A 818 32.190 9.606 18.937 1.00 17.37 H new ATOM 0 HG23 VAL A 818 31.111 10.670 18.476 1.00 17.37 H new ATOM 988 N LYS A 819 31.607 9.480 13.958 1.00 16.45 N ATOM 989 CA LYS A 819 31.663 8.925 12.620 1.00 18.70 C ATOM 990 C LYS A 819 33.011 9.235 11.923 1.00 17.83 C ATOM 991 O LYS A 819 33.674 8.334 11.374 1.00 21.35 O ATOM 992 CB LYS A 819 30.499 9.388 11.761 1.00 18.88 C ATOM 993 CG LYS A 819 30.503 8.844 10.349 1.00 22.21 C ATOM 994 CD LYS A 819 29.333 9.313 9.524 1.00 27.70 C ATOM 995 CE LYS A 819 28.080 8.566 9.807 1.00 29.49 C ATOM 996 NZ LYS A 819 27.116 8.752 8.691 1.00 36.68 N ATOM 0 H LYS A 819 30.978 10.053 14.080 1.00 16.45 H new ATOM 0 HA LYS A 819 31.592 7.963 12.720 1.00 18.70 H new ATOM 0 HB2 LYS A 819 29.670 9.128 12.193 1.00 18.88 H new ATOM 0 HB3 LYS A 819 30.507 10.357 11.722 1.00 18.88 H new ATOM 0 HG2 LYS A 819 31.327 9.109 9.910 1.00 22.21 H new ATOM 0 HG3 LYS A 819 30.498 7.875 10.383 1.00 22.21 H new ATOM 0 HD2 LYS A 819 29.185 10.257 9.691 1.00 27.70 H new ATOM 0 HD3 LYS A 819 29.551 9.222 8.583 1.00 27.70 H new ATOM 0 HE2 LYS A 819 28.275 7.623 9.922 1.00 29.49 H new ATOM 0 HE3 LYS A 819 27.689 8.878 10.638 1.00 29.49 H new ATOM 0 HZ1 LYS A 819 26.380 8.279 8.853 1.00 36.68 H new ATOM 0 HZ2 LYS A 819 26.905 9.614 8.621 1.00 36.68 H new ATOM 0 HZ3 LYS A 819 27.485 8.474 7.930 1.00 36.68 H new ATOM 997 N THR A 820 33.430 10.472 12.042 1.00 20.70 N ATOM 998 CA THR A 820 34.735 10.887 11.478 1.00 20.85 C ATOM 999 C THR A 820 35.876 10.167 12.159 1.00 22.06 C ATOM 1000 O THR A 820 36.840 9.719 11.524 1.00 20.87 O ATOM 1001 CB THR A 820 34.842 12.381 11.537 1.00 22.55 C ATOM 1002 OG1 THR A 820 33.868 12.867 10.593 1.00 24.54 O ATOM 1003 CG2 THR A 820 36.265 12.807 11.184 1.00 29.19 C ATOM 0 H THR A 820 32.993 11.097 12.439 1.00 20.70 H new ATOM 0 HA THR A 820 34.794 10.630 10.545 1.00 20.85 H new ATOM 0 HB THR A 820 34.666 12.744 12.419 1.00 22.55 H new ATOM 0 HG1 THR A 820 33.119 12.928 10.969 1.00 24.54 H new ATOM 0 HG21 THR A 820 36.333 13.774 11.223 1.00 29.19 H new ATOM 0 HG22 THR A 820 36.887 12.414 11.816 1.00 29.19 H new ATOM 0 HG23 THR A 820 36.481 12.504 10.288 1.00 29.19 H new ATOM 1004 N SER A 821 35.786 10.050 13.467 1.00 19.22 N ATOM 1005 CA SER A 821 36.839 9.395 14.222 1.00 22.36 C ATOM 1006 C SER A 821 36.970 7.923 13.819 1.00 21.52 C ATOM 1007 O SER A 821 38.086 7.404 13.737 1.00 20.83 O ATOM 1008 CB SER A 821 36.634 9.528 15.747 1.00 22.03 C ATOM 1009 OG SER A 821 36.672 10.903 16.215 1.00 22.29 O ATOM 0 H SER A 821 35.128 10.340 13.939 1.00 19.22 H new ATOM 0 HA SER A 821 37.667 9.849 14.003 1.00 22.36 H new ATOM 0 HB2 SER A 821 35.781 9.135 15.988 1.00 22.03 H new ATOM 0 HB3 SER A 821 37.321 9.018 16.205 1.00 22.03 H new ATOM 0 HG SER A 821 35.971 11.300 15.977 1.00 22.29 H new ATOM 1010 N LEU A 822 35.864 7.218 13.610 1.00 20.62 N ATOM 1011 CA LEU A 822 35.912 5.842 13.106 1.00 23.40 C ATOM 1012 C LEU A 822 36.451 5.718 11.741 1.00 26.73 C ATOM 1013 O LEU A 822 37.264 4.811 11.425 1.00 25.46 O ATOM 1014 CB LEU A 822 34.494 5.250 13.067 1.00 22.83 C ATOM 1015 CG LEU A 822 34.035 4.606 14.294 1.00 23.87 C ATOM 1016 CD1 LEU A 822 32.603 4.146 14.042 1.00 22.94 C ATOM 1017 CD2 LEU A 822 34.827 3.321 14.637 1.00 23.19 C ATOM 0 H LEU A 822 35.070 7.516 13.753 1.00 20.62 H new ATOM 0 HA LEU A 822 36.502 5.372 13.716 1.00 23.40 H new ATOM 0 HB2 LEU A 822 33.872 5.960 12.844 1.00 22.83 H new ATOM 0 HB3 LEU A 822 34.453 4.601 12.347 1.00 22.83 H new ATOM 0 HG LEU A 822 34.139 5.243 15.018 1.00 23.87 H new ATOM 0 HD11 LEU A 822 32.258 3.710 14.837 1.00 22.94 H new ATOM 0 HD12 LEU A 822 32.049 4.913 13.828 1.00 22.94 H new ATOM 0 HD13 LEU A 822 32.589 3.521 13.300 1.00 22.94 H new ATOM 0 HD21 LEU A 822 34.481 2.937 15.458 1.00 23.19 H new ATOM 0 HD22 LEU A 822 34.732 2.680 13.915 1.00 23.19 H new ATOM 0 HD23 LEU A 822 35.765 3.540 14.753 1.00 23.19 H new ATOM 1018 N ASN A 823 36.049 6.635 10.896 1.00 25.08 N ATOM 1019 CA ASN A 823 36.538 6.654 9.480 1.00 25.44 C ATOM 1020 C ASN A 823 38.036 6.880 9.420 1.00 26.31 C ATOM 1021 O ASN A 823 38.707 6.301 8.524 1.00 27.54 O ATOM 1022 CB ASN A 823 35.769 7.703 8.664 1.00 28.89 C ATOM 1023 CG ASN A 823 36.296 7.845 7.237 1.00 33.32 C ATOM 1024 OD1 ASN A 823 36.836 8.889 6.852 1.00 46.31 O ATOM 1025 ND2 ASN A 823 36.142 6.823 6.475 1.00 30.95 N ATOM 0 H ASN A 823 35.497 7.264 11.093 1.00 25.08 H new ATOM 0 HA ASN A 823 36.368 5.785 9.083 1.00 25.44 H new ATOM 0 HB2 ASN A 823 34.830 7.460 8.635 1.00 28.89 H new ATOM 0 HB3 ASN A 823 35.826 8.561 9.112 1.00 28.89 H new ATOM 0 HD21 ASN A 823 36.419 6.848 5.661 1.00 30.95 H new ATOM 0 HD22 ASN A 823 35.761 6.114 6.778 1.00 30.95 H new ATOM 1026 N GLU A 824 38.571 7.707 10.313 1.00 24.56 N ATOM 1027 CA GLU A 824 39.983 8.092 10.318 1.00 26.55 C ATOM 1028 C GLU A 824 40.795 7.094 11.199 1.00 27.67 C ATOM 1029 O GLU A 824 41.942 7.333 11.413 1.00 26.95 O ATOM 1030 CB GLU A 824 40.189 9.563 10.756 1.00 30.25 C ATOM 1031 CG GLU A 824 39.604 10.529 9.687 1.00 38.77 C ATOM 1032 CD GLU A 824 39.660 12.051 9.987 1.00 59.80 C ATOM 1033 OE1 GLU A 824 40.218 12.473 11.034 1.00 69.84 O ATOM 1034 OE2 GLU A 824 39.131 12.865 9.143 1.00 71.73 O ATOM 0 H GLU A 824 38.116 8.068 10.947 1.00 24.56 H new ATOM 0 HA GLU A 824 40.318 8.042 9.409 1.00 26.55 H new ATOM 0 HB2 GLU A 824 39.757 9.716 11.611 1.00 30.25 H new ATOM 0 HB3 GLU A 824 41.134 9.741 10.880 1.00 30.25 H new ATOM 0 HG2 GLU A 824 40.073 10.371 8.853 1.00 38.77 H new ATOM 0 HG3 GLU A 824 38.676 10.287 9.541 1.00 38.77 H new ATOM 1035 N GLN A 825 40.191 6.008 11.655 1.00 24.21 N ATOM 1036 CA GLN A 825 40.852 5.008 12.523 1.00 24.57 C ATOM 1037 C GLN A 825 41.518 5.636 13.705 1.00 27.13 C ATOM 1038 O GLN A 825 42.605 5.261 14.040 1.00 28.83 O ATOM 1039 CB GLN A 825 41.842 4.133 11.694 1.00 25.24 C ATOM 1040 CG GLN A 825 41.194 3.448 10.506 1.00 28.65 C ATOM 1041 CD GLN A 825 42.148 2.992 9.426 1.00 32.14 C ATOM 1042 OE1 GLN A 825 42.877 3.798 8.861 1.00 32.89 O ATOM 1043 NE2 GLN A 825 42.038 1.748 9.049 1.00 31.16 N ATOM 0 H GLN A 825 39.373 5.817 11.473 1.00 24.21 H new ATOM 0 HA GLN A 825 40.163 4.426 12.879 1.00 24.57 H new ATOM 0 HB2 GLN A 825 42.570 4.691 11.379 1.00 25.24 H new ATOM 0 HB3 GLN A 825 42.231 3.460 12.274 1.00 25.24 H new ATOM 0 HG2 GLN A 825 40.698 2.678 10.826 1.00 28.65 H new ATOM 0 HG3 GLN A 825 40.549 4.057 10.112 1.00 28.65 H new ATOM 0 HE21 GLN A 825 41.514 1.215 9.474 1.00 31.16 H new ATOM 0 HE22 GLN A 825 42.489 1.461 8.376 1.00 31.16 H new ATOM 1044 N MET A 826 40.816 6.482 14.450 1.00 21.69 N ATOM 1045 CA AMET A 826 41.374 7.140 15.619 0.53 22.76 C ATOM 1046 CA BMET A 826 41.381 7.161 15.612 0.47 23.08 C ATOM 1047 C MET A 826 41.163 6.346 16.880 1.00 23.34 C ATOM 1048 O MET A 826 41.731 6.663 17.912 1.00 26.97 O ATOM 1049 CB AMET A 826 40.735 8.530 15.827 0.53 28.04 C ATOM 1050 CB BMET A 826 40.784 8.595 15.822 0.47 28.42 C ATOM 1051 CG AMET A 826 40.948 9.445 14.634 0.53 30.00 C ATOM 1052 CG BMET A 826 41.025 9.605 14.683 0.47 31.36 C ATOM 1053 SD AMET A 826 42.619 10.056 14.489 0.53 37.03 S ATOM 1054 SD BMET A 826 40.410 11.278 15.123 0.47 39.43 S ATOM 1055 CE AMET A 826 42.991 10.709 16.112 0.53 35.24 C ATOM 1056 CE BMET A 826 39.780 11.924 13.599 0.47 37.21 C ATOM 0 H AMET A 826 39.997 6.690 14.289 0.53 21.69 H new ATOM 0 H BMET A 826 39.994 6.680 14.295 0.47 21.69 H new ATOM 0 HA AMET A 826 42.325 7.221 15.449 0.53 23.08 H new ATOM 0 HA BMET A 826 42.330 7.250 15.434 0.47 23.08 H new ATOM 0 HB2AMET A 826 39.784 8.426 15.987 0.53 28.42 H new ATOM 0 HB2BMET A 826 39.827 8.510 15.957 0.47 28.42 H new ATOM 0 HB3AMET A 826 41.112 8.942 16.620 0.53 28.42 H new ATOM 0 HB3BMET A 826 41.154 8.963 16.639 0.47 28.42 H new ATOM 0 HG2AMET A 826 40.716 8.966 13.823 0.53 31.36 H new ATOM 0 HG2BMET A 826 41.973 9.650 14.484 0.47 31.36 H new ATOM 0 HG3AMET A 826 40.341 10.199 14.702 0.53 31.36 H new ATOM 0 HG3BMET A 826 40.581 9.298 13.877 0.47 31.36 H new ATOM 0 HE1AMET A 826 43.701 11.366 16.042 0.53 37.21 H new ATOM 0 HE1BMET A 826 40.204 12.775 13.408 0.47 37.21 H new ATOM 0 HE2AMET A 826 42.198 11.129 16.482 0.53 37.21 H new ATOM 0 HE2BMET A 826 39.969 11.301 12.880 0.47 37.21 H new ATOM 0 HE3AMET A 826 43.275 9.987 16.694 0.53 37.21 H new ATOM 0 HE3BMET A 826 38.821 12.051 13.673 0.47 37.21 H new ATOM 1057 N TYR A 827 40.312 5.344 16.851 1.00 21.59 N ATOM 1058 CA TYR A 827 40.094 4.540 18.071 1.00 20.83 C ATOM 1059 C TYR A 827 40.946 3.264 17.970 1.00 23.13 C ATOM 1060 O TYR A 827 40.888 2.591 16.960 1.00 24.64 O ATOM 1061 CB TYR A 827 38.660 4.117 18.279 1.00 19.92 C ATOM 1062 CG TYR A 827 37.660 5.265 18.370 1.00 17.97 C ATOM 1063 CD1 TYR A 827 37.721 6.149 19.414 1.00 18.06 C ATOM 1064 CD2 TYR A 827 36.710 5.458 17.367 1.00 18.97 C ATOM 1065 CE1 TYR A 827 36.819 7.210 19.521 1.00 19.03 C ATOM 1066 CE2 TYR A 827 35.798 6.475 17.457 1.00 20.75 C ATOM 1067 CZ TYR A 827 35.836 7.360 18.534 1.00 19.23 C ATOM 1068 OH TYR A 827 34.923 8.411 18.672 1.00 18.79 O ATOM 0 H TYR A 827 39.854 5.104 16.164 1.00 21.59 H new ATOM 0 HA TYR A 827 40.341 5.103 18.821 1.00 20.83 H new ATOM 0 HB2 TYR A 827 38.399 3.535 17.549 1.00 19.92 H new ATOM 0 HB3 TYR A 827 38.606 3.593 19.093 1.00 19.92 H new ATOM 0 HD1 TYR A 827 38.376 6.041 20.065 1.00 18.06 H new ATOM 0 HD2 TYR A 827 36.696 4.891 16.630 1.00 18.97 H new ATOM 0 HE1 TYR A 827 36.870 7.805 20.234 1.00 19.03 H new ATOM 0 HE2 TYR A 827 35.150 6.576 16.797 1.00 20.75 H new ATOM 0 HH TYR A 827 35.201 8.949 19.254 1.00 18.79 H new ATOM 1069 N THR A 828 41.748 2.983 19.001 1.00 21.19 N ATOM 1070 CA THR A 828 42.575 1.786 19.009 1.00 20.44 C ATOM 1071 C THR A 828 41.919 0.628 19.725 1.00 19.44 C ATOM 1072 O THR A 828 42.289 -0.503 19.489 1.00 19.30 O ATOM 1073 CB THR A 828 43.939 2.058 19.660 1.00 23.31 C ATOM 1074 OG1 THR A 828 43.767 2.521 20.979 1.00 25.54 O ATOM 1075 CG2 THR A 828 44.729 3.066 18.884 1.00 26.42 C ATOM 0 H THR A 828 41.824 3.475 19.702 1.00 21.19 H new ATOM 0 HA THR A 828 42.694 1.542 18.078 1.00 20.44 H new ATOM 0 HB THR A 828 44.429 1.221 19.666 1.00 23.31 H new ATOM 0 HG1 THR A 828 44.183 2.019 21.509 1.00 25.54 H new ATOM 0 HG21 THR A 828 45.582 3.214 19.321 1.00 26.42 H new ATOM 0 HG22 THR A 828 44.880 2.736 17.984 1.00 26.42 H new ATOM 0 HG23 THR A 828 44.237 3.901 18.844 1.00 26.42 H new ATOM 1076 N ARG A 829 40.960 0.914 20.639 1.00 18.05 N ATOM 1077 CA AARG A 829 40.196 -0.110 21.323 0.23 18.92 C ATOM 1078 CA BARG A 829 40.213 -0.093 21.337 0.77 18.51 C ATOM 1079 C ARG A 829 38.700 0.209 21.302 1.00 19.18 C ATOM 1080 O ARG A 829 38.308 1.375 21.186 1.00 17.85 O ATOM 1081 CB AARG A 829 40.680 -0.259 22.766 0.23 20.27 C ATOM 1082 CB BARG A 829 40.641 -0.182 22.801 0.77 21.31 C ATOM 1083 CG AARG A 829 42.096 -0.847 22.817 0.23 20.92 C ATOM 1084 CG BARG A 829 42.036 -0.894 22.884 0.77 23.10 C ATOM 1085 CD AARG A 829 42.573 -1.163 24.210 0.23 22.21 C ATOM 1086 CD BARG A 829 42.566 -0.922 24.261 0.77 26.88 C ATOM 1087 NE AARG A 829 43.699 -2.095 24.142 0.23 22.02 N ATOM 1088 NE BARG A 829 44.028 -1.141 24.234 0.77 25.76 N ATOM 1089 CZ AARG A 829 44.970 -1.758 23.954 0.23 23.43 C ATOM 1090 CZ BARG A 829 44.669 -2.303 24.318 0.77 31.25 C ATOM 1091 NH1AARG A 829 45.332 -0.496 23.893 0.23 22.83 N ATOM 1092 NH1BARG A 829 44.043 -3.505 24.422 0.77 30.16 N ATOM 1093 NH2AARG A 829 45.895 -2.702 23.873 0.23 24.03 N ATOM 1094 NH2BARG A 829 46.004 -2.240 24.261 0.77 31.38 N ATOM 0 H AARG A 829 40.748 1.716 20.867 0.23 18.05 H new ATOM 0 H BARG A 829 40.742 1.717 20.855 0.77 18.05 H new ATOM 0 HA AARG A 829 40.334 -0.948 20.854 0.23 18.51 H new ATOM 0 HA BARG A 829 40.393 -0.933 20.887 0.77 18.51 H new ATOM 0 HB2AARG A 829 40.670 0.606 23.204 0.23 21.31 H new ATOM 0 HB2BARG A 829 40.694 0.706 23.189 0.77 21.31 H new ATOM 0 HB3AARG A 829 40.071 -0.833 23.257 0.23 21.31 H new ATOM 0 HB3BARG A 829 39.982 -0.676 23.313 0.77 21.31 H new ATOM 0 HG2AARG A 829 42.120 -1.657 22.284 0.23 23.10 H new ATOM 0 HG2BARG A 829 41.954 -1.802 22.552 0.77 23.10 H new ATOM 0 HG3AARG A 829 42.712 -0.220 22.408 0.23 23.10 H new ATOM 0 HG3BARG A 829 42.666 -0.436 22.306 0.77 23.10 H new ATOM 0 HD2AARG A 829 42.842 -0.348 24.662 0.23 26.88 H new ATOM 0 HD2BARG A 829 42.365 -0.086 24.710 0.77 26.88 H new ATOM 0 HD3AARG A 829 41.851 -1.551 24.729 0.23 26.88 H new ATOM 0 HD3BARG A 829 42.135 -1.628 24.768 0.77 26.88 H new ATOM 0 HE AARG A 829 43.523 -2.932 24.231 0.23 25.76 H new ATOM 0 HE BARG A 829 44.518 -0.439 24.155 0.77 25.76 H new ATOM 0 HH11AARG A 829 44.743 0.125 23.975 0.23 30.16 H new ATOM 0 HH11BARG A 829 43.184 -3.543 24.436 0.77 30.16 H new ATOM 0 HH12AARG A 829 46.158 -0.291 23.771 0.23 30.16 H new ATOM 0 HH12BARG A 829 44.506 -4.228 24.473 0.77 30.16 H new ATOM 0 HH21AARG A 829 45.672 -3.530 23.942 0.23 31.38 H new ATOM 0 HH21BARG A 829 46.395 -1.479 24.175 0.77 31.38 H new ATOM 0 HH22AARG A 829 46.719 -2.487 23.751 0.23 31.38 H new ATOM 0 HH22BARG A 829 46.471 -2.960 24.310 0.77 31.38 H new ATOM 1095 N VAL A 830 37.903 -0.812 21.460 1.00 17.71 N ATOM 1096 CA VAL A 830 36.440 -0.630 21.505 1.00 17.83 C ATOM 1097 C VAL A 830 36.041 0.420 22.589 1.00 18.14 C ATOM 1098 O VAL A 830 35.093 1.274 22.367 1.00 15.86 O ATOM 1099 CB VAL A 830 35.706 -1.954 21.696 1.00 14.85 C ATOM 1100 CG1 VAL A 830 34.261 -1.704 22.029 1.00 18.33 C ATOM 1101 CG2 VAL A 830 35.771 -2.837 20.457 1.00 17.34 C ATOM 0 H VAL A 830 38.168 -1.626 21.545 1.00 17.71 H new ATOM 0 HA VAL A 830 36.161 -0.282 20.643 1.00 17.83 H new ATOM 0 HB VAL A 830 36.150 -2.415 22.425 1.00 14.85 H new ATOM 0 HG11 VAL A 830 33.805 -2.552 22.148 1.00 18.33 H new ATOM 0 HG12 VAL A 830 34.202 -1.188 22.848 1.00 18.33 H new ATOM 0 HG13 VAL A 830 33.843 -1.211 21.306 1.00 18.33 H new ATOM 0 HG21 VAL A 830 35.293 -3.664 20.624 1.00 17.34 H new ATOM 0 HG22 VAL A 830 35.364 -2.374 19.708 1.00 17.34 H new ATOM 0 HG23 VAL A 830 36.697 -3.035 20.249 1.00 17.34 H new ATOM 1102 N GLU A 831 36.754 0.392 23.731 1.00 16.89 N ATOM 1103 CA GLU A 831 36.544 1.322 24.817 1.00 19.56 C ATOM 1104 C GLU A 831 36.500 2.829 24.353 1.00 17.39 C ATOM 1105 O GLU A 831 35.726 3.594 24.876 1.00 18.53 O ATOM 1106 CB GLU A 831 37.711 1.181 25.764 1.00 23.50 C ATOM 1107 CG GLU A 831 37.627 1.951 27.004 1.00 33.47 C ATOM 1108 CD GLU A 831 38.772 1.504 27.934 1.00 43.16 C ATOM 1109 OE1 GLU A 831 39.939 1.362 27.403 1.00 47.65 O ATOM 1110 OE2 GLU A 831 38.419 1.196 29.099 1.00 49.92 O ATOM 0 H GLU A 831 37.377 -0.181 23.883 1.00 16.89 H new ATOM 0 HA GLU A 831 35.687 1.112 25.220 1.00 19.56 H new ATOM 0 HB2 GLU A 831 37.808 0.243 25.992 1.00 23.50 H new ATOM 0 HB3 GLU A 831 38.519 1.444 25.295 1.00 23.50 H new ATOM 0 HG2 GLU A 831 37.696 2.900 26.817 1.00 33.47 H new ATOM 0 HG3 GLU A 831 36.769 1.808 27.433 1.00 33.47 H new ATOM 1111 N GLY A 832 37.368 3.213 23.424 1.00 17.73 N ATOM 1112 CA GLY A 832 37.427 4.579 22.859 1.00 18.91 C ATOM 1113 C GLY A 832 36.136 5.032 22.233 1.00 18.37 C ATOM 1114 O GLY A 832 35.629 6.154 22.540 1.00 18.29 O ATOM 0 H GLY A 832 37.957 2.682 23.090 1.00 17.73 H new ATOM 0 HA2 GLY A 832 37.672 5.201 23.562 1.00 18.91 H new ATOM 0 HA3 GLY A 832 38.130 4.614 22.192 1.00 18.91 H new ATOM 1115 N PHE A 833 35.585 4.145 21.406 1.00 18.57 N ATOM 1116 CA PHE A 833 34.368 4.392 20.705 1.00 16.98 C ATOM 1117 C PHE A 833 33.194 4.463 21.718 1.00 17.44 C ATOM 1118 O PHE A 833 32.381 5.398 21.715 1.00 17.20 O ATOM 1119 CB PHE A 833 34.151 3.325 19.660 1.00 17.59 C ATOM 1120 CG PHE A 833 32.754 3.269 19.097 1.00 15.28 C ATOM 1121 CD1 PHE A 833 32.371 4.190 18.145 1.00 16.61 C ATOM 1122 CD2 PHE A 833 31.829 2.342 19.543 1.00 16.21 C ATOM 1123 CE1 PHE A 833 31.063 4.184 17.645 1.00 18.40 C ATOM 1124 CE2 PHE A 833 30.499 2.294 19.023 1.00 16.25 C ATOM 1125 CZ PHE A 833 30.161 3.200 18.032 1.00 18.18 C ATOM 0 H PHE A 833 35.928 3.373 21.245 1.00 18.57 H new ATOM 0 HA PHE A 833 34.416 5.244 20.244 1.00 16.98 H new ATOM 0 HB2 PHE A 833 34.774 3.472 18.931 1.00 17.59 H new ATOM 0 HB3 PHE A 833 34.365 2.462 20.047 1.00 17.59 H new ATOM 0 HD1 PHE A 833 32.983 4.817 17.834 1.00 16.61 H new ATOM 0 HD2 PHE A 833 32.080 1.733 20.200 1.00 16.21 H new ATOM 0 HE1 PHE A 833 30.795 4.845 17.048 1.00 18.40 H new ATOM 0 HE2 PHE A 833 29.881 1.675 19.339 1.00 16.25 H new ATOM 0 HZ PHE A 833 29.327 3.150 17.624 1.00 18.18 H new ATOM 1126 N VAL A 834 33.094 3.457 22.586 1.00 17.58 N ATOM 1127 CA VAL A 834 32.000 3.385 23.567 1.00 17.48 C ATOM 1128 C VAL A 834 32.041 4.569 24.500 1.00 15.80 C ATOM 1129 O VAL A 834 30.980 5.142 24.802 1.00 15.94 O ATOM 1130 CB VAL A 834 31.979 2.010 24.343 1.00 16.96 C ATOM 1131 CG1 VAL A 834 30.967 2.004 25.480 1.00 17.35 C ATOM 1132 CG2 VAL A 834 31.714 0.876 23.334 1.00 16.37 C ATOM 0 H VAL A 834 33.650 2.802 22.626 1.00 17.58 H new ATOM 0 HA VAL A 834 31.164 3.426 23.077 1.00 17.48 H new ATOM 0 HB VAL A 834 32.843 1.873 24.762 1.00 16.96 H new ATOM 0 HG11 VAL A 834 30.988 1.144 25.927 1.00 17.35 H new ATOM 0 HG12 VAL A 834 31.189 2.703 26.114 1.00 17.35 H new ATOM 0 HG13 VAL A 834 30.079 2.161 25.124 1.00 17.35 H new ATOM 0 HG21 VAL A 834 31.699 0.025 23.800 1.00 16.37 H new ATOM 0 HG22 VAL A 834 30.859 1.022 22.900 1.00 16.37 H new ATOM 0 HG23 VAL A 834 32.417 0.866 22.666 1.00 16.37 H new ATOM 1133 N GLN A 835 33.221 4.965 24.972 1.00 16.42 N ATOM 1134 CA GLN A 835 33.317 6.143 25.848 1.00 17.83 C ATOM 1135 C GLN A 835 32.753 7.413 25.180 1.00 17.45 C ATOM 1136 O GLN A 835 32.069 8.156 25.808 1.00 17.97 O ATOM 1137 CB GLN A 835 34.744 6.443 26.293 1.00 19.73 C ATOM 1138 CG GLN A 835 35.098 5.406 27.350 1.00 23.07 C ATOM 1139 CD GLN A 835 36.580 5.435 27.773 1.00 29.84 C ATOM 1140 OE1 GLN A 835 37.457 6.004 27.087 1.00 31.78 O ATOM 1141 NE2 GLN A 835 36.859 4.750 28.894 1.00 37.32 N ATOM 0 H GLN A 835 33.969 4.576 24.803 1.00 16.42 H new ATOM 0 HA GLN A 835 32.785 5.911 26.625 1.00 17.83 H new ATOM 0 HB2 GLN A 835 35.357 6.393 25.543 1.00 19.73 H new ATOM 0 HB3 GLN A 835 34.811 7.341 26.655 1.00 19.73 H new ATOM 0 HG2 GLN A 835 34.543 5.551 28.133 1.00 23.07 H new ATOM 0 HG3 GLN A 835 34.884 4.523 27.010 1.00 23.07 H new ATOM 0 HE21 GLN A 835 36.225 4.373 29.337 1.00 37.32 H new ATOM 0 HE22 GLN A 835 37.671 4.688 29.169 1.00 37.32 H new ATOM 1142 N ASP A 836 33.164 7.688 23.967 1.00 16.65 N ATOM 1143 CA ASP A 836 32.640 8.845 23.223 1.00 16.83 C ATOM 1144 C ASP A 836 31.175 8.751 23.020 1.00 16.85 C ATOM 1145 O ASP A 836 30.498 9.781 23.247 1.00 16.34 O ATOM 1146 CB ASP A 836 33.325 9.002 21.860 1.00 19.27 C ATOM 1147 CG ASP A 836 34.716 9.706 21.960 1.00 19.81 C ATOM 1148 OD1 ASP A 836 35.084 10.139 23.059 1.00 23.71 O ATOM 1149 OD2 ASP A 836 35.402 9.772 20.879 1.00 21.88 O ATOM 0 H ASP A 836 33.749 7.224 23.540 1.00 16.65 H new ATOM 0 HA ASP A 836 32.834 9.625 23.766 1.00 16.83 H new ATOM 0 HB2 ASP A 836 33.438 8.127 21.457 1.00 19.27 H new ATOM 0 HB3 ASP A 836 32.750 9.514 21.270 1.00 19.27 H new ATOM 1150 N MET A 837 30.631 7.561 22.639 1.00 15.59 N ATOM 1151 CA MET A 837 29.175 7.410 22.521 1.00 14.84 C ATOM 1152 C MET A 837 28.451 7.738 23.817 1.00 16.02 C ATOM 1153 O MET A 837 27.447 8.576 23.821 1.00 15.73 O ATOM 1154 CB MET A 837 28.787 6.041 21.966 1.00 14.94 C ATOM 1155 CG MET A 837 29.327 5.818 20.518 1.00 16.90 C ATOM 1156 SD MET A 837 28.400 6.869 19.316 1.00 17.33 S ATOM 1157 CE MET A 837 26.812 6.037 19.238 1.00 18.36 C ATOM 0 H MET A 837 31.085 6.855 22.452 1.00 15.59 H new ATOM 0 HA MET A 837 28.878 8.068 21.873 1.00 14.84 H new ATOM 0 HB2 MET A 837 29.133 5.347 22.549 1.00 14.94 H new ATOM 0 HB3 MET A 837 27.821 5.956 21.966 1.00 14.94 H new ATOM 0 HG2 MET A 837 30.272 6.033 20.482 1.00 16.90 H new ATOM 0 HG3 MET A 837 29.239 4.883 20.274 1.00 16.90 H new ATOM 0 HE1 MET A 837 26.305 6.377 18.484 1.00 18.36 H new ATOM 0 HE2 MET A 837 26.951 5.083 19.130 1.00 18.36 H new ATOM 0 HE3 MET A 837 26.320 6.201 20.058 1.00 18.36 H new ATOM 1158 N ARG A 838 28.938 7.171 24.918 1.00 13.82 N ATOM 1159 CA ARG A 838 28.213 7.379 26.192 1.00 15.69 C ATOM 1160 C ARG A 838 28.354 8.849 26.685 1.00 15.73 C ATOM 1161 O ARG A 838 27.442 9.340 27.360 1.00 16.93 O ATOM 1162 CB ARG A 838 28.822 6.432 27.280 1.00 17.27 C ATOM 1163 CG ARG A 838 28.297 5.004 27.057 1.00 17.79 C ATOM 1164 CD ARG A 838 28.985 3.993 27.974 1.00 18.25 C ATOM 1165 NE ARG A 838 28.292 2.688 27.864 1.00 19.14 N ATOM 1166 CZ ARG A 838 28.754 1.513 28.350 1.00 22.81 C ATOM 1167 NH1 ARG A 838 29.971 1.434 28.916 1.00 22.38 N ATOM 1168 NH2 ARG A 838 27.981 0.411 28.201 1.00 22.24 N ATOM 0 H ARG A 838 29.647 6.686 24.962 1.00 13.82 H new ATOM 0 HA ARG A 838 27.274 7.186 26.046 1.00 15.69 H new ATOM 0 HB2 ARG A 838 29.791 6.444 27.229 1.00 17.27 H new ATOM 0 HB3 ARG A 838 28.580 6.742 28.167 1.00 17.27 H new ATOM 0 HG2 ARG A 838 27.340 4.984 27.214 1.00 17.79 H new ATOM 0 HG3 ARG A 838 28.438 4.749 26.132 1.00 17.79 H new ATOM 0 HD2 ARG A 838 29.918 3.898 27.727 1.00 18.25 H new ATOM 0 HD3 ARG A 838 28.965 4.306 28.892 1.00 18.25 H new ATOM 0 HE ARG A 838 27.534 2.677 27.458 1.00 19.14 H new ATOM 0 HH11 ARG A 838 30.465 2.135 28.972 1.00 22.38 H new ATOM 0 HH12 ARG A 838 30.255 0.682 29.222 1.00 22.38 H new ATOM 0 HH21 ARG A 838 27.219 0.470 27.806 1.00 22.24 H new ATOM 0 HH22 ARG A 838 28.252 -0.348 28.501 1.00 22.24 H new ATOM 1169 N LEU A 839 29.385 9.527 26.234 1.00 16.70 N ATOM 1170 CA LEU A 839 29.660 10.916 26.621 1.00 16.68 C ATOM 1171 C LEU A 839 28.629 11.850 25.950 1.00 17.41 C ATOM 1172 O LEU A 839 28.147 12.825 26.592 1.00 17.43 O ATOM 1173 CB LEU A 839 31.082 11.315 26.199 1.00 19.38 C ATOM 1174 CG LEU A 839 31.531 12.742 26.568 1.00 20.92 C ATOM 1175 CD1 LEU A 839 31.559 12.940 28.071 1.00 23.16 C ATOM 1176 CD2 LEU A 839 32.823 13.089 25.909 1.00 22.37 C ATOM 0 H LEU A 839 29.961 9.200 25.686 1.00 16.70 H new ATOM 0 HA LEU A 839 29.590 10.997 27.585 1.00 16.68 H new ATOM 0 HB2 LEU A 839 31.705 10.688 26.598 1.00 19.38 H new ATOM 0 HB3 LEU A 839 31.154 11.213 25.237 1.00 19.38 H new ATOM 0 HG LEU A 839 30.873 13.366 26.224 1.00 20.92 H new ATOM 0 HD11 LEU A 839 31.844 13.845 28.273 1.00 23.16 H new ATOM 0 HD12 LEU A 839 30.671 12.793 28.434 1.00 23.16 H new ATOM 0 HD13 LEU A 839 32.179 12.309 28.469 1.00 23.16 H new ATOM 0 HD21 LEU A 839 33.082 13.990 26.158 1.00 22.37 H new ATOM 0 HD22 LEU A 839 33.509 12.466 26.194 1.00 22.37 H new ATOM 0 HD23 LEU A 839 32.719 13.037 24.946 1.00 22.37 H new ATOM 1177 N ILE A 840 28.249 11.506 24.735 1.00 15.42 N ATOM 1178 CA ILE A 840 27.124 12.230 24.069 1.00 17.34 C ATOM 1179 C ILE A 840 25.944 12.355 25.016 1.00 18.55 C ATOM 1180 O ILE A 840 25.384 13.428 25.221 1.00 17.57 O ATOM 1181 CB ILE A 840 26.724 11.602 22.721 1.00 16.39 C ATOM 1182 CG1 ILE A 840 27.905 11.688 21.756 1.00 17.48 C ATOM 1183 CG2 ILE A 840 25.440 12.232 22.132 1.00 15.94 C ATOM 1184 CD1 ILE A 840 27.669 10.926 20.475 1.00 18.45 C ATOM 0 H ILE A 840 28.604 10.876 24.270 1.00 15.42 H new ATOM 0 HA ILE A 840 27.437 13.123 23.855 1.00 17.34 H new ATOM 0 HB ILE A 840 26.507 10.668 22.868 1.00 16.39 H new ATOM 0 HG12 ILE A 840 28.079 12.619 21.546 1.00 17.48 H new ATOM 0 HG13 ILE A 840 28.699 11.342 22.192 1.00 17.48 H new ATOM 0 HG21 ILE A 840 25.229 11.806 21.287 1.00 15.94 H new ATOM 0 HG22 ILE A 840 24.704 12.105 22.751 1.00 15.94 H new ATOM 0 HG23 ILE A 840 25.581 13.181 21.989 1.00 15.94 H new ATOM 0 HD11 ILE A 840 28.445 11.012 19.899 1.00 18.45 H new ATOM 0 HD12 ILE A 840 27.520 9.989 20.678 1.00 18.45 H new ATOM 0 HD13 ILE A 840 26.890 11.286 20.023 1.00 18.45 H new ATOM 1185 N PHE A 841 25.476 11.229 25.503 1.00 16.99 N ATOM 1186 CA PHE A 841 24.268 11.233 26.293 1.00 17.72 C ATOM 1187 C PHE A 841 24.443 11.799 27.671 1.00 18.91 C ATOM 1188 O PHE A 841 23.501 12.396 28.211 1.00 19.92 O ATOM 1189 CB PHE A 841 23.616 9.835 26.251 1.00 18.98 C ATOM 1190 CG PHE A 841 23.561 9.258 24.881 1.00 18.28 C ATOM 1191 CD1 PHE A 841 22.839 9.878 23.893 1.00 19.10 C ATOM 1192 CD2 PHE A 841 24.330 8.160 24.560 1.00 17.75 C ATOM 1193 CE1 PHE A 841 22.805 9.345 22.592 1.00 20.61 C ATOM 1194 CE2 PHE A 841 24.272 7.586 23.246 1.00 19.38 C ATOM 1195 CZ PHE A 841 23.550 8.226 22.279 1.00 19.52 C ATOM 0 H PHE A 841 25.838 10.457 25.390 1.00 16.99 H new ATOM 0 HA PHE A 841 23.645 11.857 25.889 1.00 17.72 H new ATOM 0 HB2 PHE A 841 24.113 9.235 26.829 1.00 18.98 H new ATOM 0 HB3 PHE A 841 22.716 9.893 26.608 1.00 18.98 H new ATOM 0 HD1 PHE A 841 22.368 10.657 24.085 1.00 19.10 H new ATOM 0 HD2 PHE A 841 24.892 7.788 25.201 1.00 17.75 H new ATOM 0 HE1 PHE A 841 22.278 9.748 21.940 1.00 20.61 H new ATOM 0 HE2 PHE A 841 24.718 6.792 23.056 1.00 19.38 H new ATOM 0 HZ PHE A 841 23.560 7.906 21.406 1.00 19.52 H new ATOM 1196 N HIS A 842 25.584 11.553 28.279 1.00 17.50 N ATOM 1197 CA HIS A 842 25.918 12.078 29.609 1.00 21.34 C ATOM 1198 C HIS A 842 25.984 13.649 29.608 1.00 21.21 C ATOM 1199 O HIS A 842 25.403 14.291 30.499 1.00 19.88 O ATOM 1200 CB HIS A 842 27.248 11.565 30.121 1.00 22.21 C ATOM 1201 CG HIS A 842 27.439 11.831 31.573 1.00 29.48 C ATOM 1202 ND1 HIS A 842 28.280 12.802 32.055 1.00 38.05 N ATOM 1203 CD2 HIS A 842 26.841 11.280 32.660 1.00 41.16 C ATOM 1204 CE1 HIS A 842 28.240 12.806 33.378 1.00 34.92 C ATOM 1205 NE2 HIS A 842 27.374 11.895 33.772 1.00 40.18 N ATOM 0 H HIS A 842 26.205 11.069 27.934 1.00 17.50 H new ATOM 0 HA HIS A 842 25.208 11.767 30.192 1.00 21.34 H new ATOM 0 HB2 HIS A 842 27.307 10.610 29.959 1.00 22.21 H new ATOM 0 HB3 HIS A 842 27.967 11.983 29.621 1.00 22.21 H new ATOM 0 HD1 HIS A 842 28.760 13.327 31.572 1.00 38.05 H new ATOM 0 HD2 HIS A 842 26.193 10.613 32.655 1.00 41.16 H new ATOM 0 HE1 HIS A 842 28.739 13.359 33.935 1.00 34.92 H new ATOM 1206 N ASN A 843 26.547 14.201 28.556 1.00 18.20 N ATOM 1207 CA ASN A 843 26.669 15.686 28.439 1.00 19.25 C ATOM 1208 C ASN A 843 25.255 16.264 28.322 1.00 18.93 C ATOM 1209 O ASN A 843 24.928 17.250 28.960 1.00 22.50 O ATOM 1210 CB ASN A 843 27.446 16.076 27.205 1.00 18.47 C ATOM 1211 CG ASN A 843 28.932 15.903 27.335 1.00 17.83 C ATOM 1212 OD1 ASN A 843 29.490 15.685 28.389 1.00 19.10 O ATOM 1213 ND2 ASN A 843 29.579 16.029 26.201 1.00 19.22 N ATOM 0 H ASN A 843 26.870 13.760 27.892 1.00 18.20 H new ATOM 0 HA ASN A 843 27.136 16.028 29.217 1.00 19.25 H new ATOM 0 HB2 ASN A 843 27.133 15.545 26.456 1.00 18.47 H new ATOM 0 HB3 ASN A 843 27.255 17.003 26.994 1.00 18.47 H new ATOM 0 HD21 ASN A 843 30.436 15.957 26.185 1.00 19.22 H new ATOM 0 HD22 ASN A 843 29.146 16.184 25.474 1.00 19.22 H new ATOM 1214 N HIS A 844 24.395 15.588 27.566 1.00 18.25 N ATOM 1215 CA HIS A 844 23.027 16.037 27.351 1.00 20.91 C ATOM 1216 C HIS A 844 22.249 16.007 28.672 1.00 20.97 C ATOM 1217 O HIS A 844 21.576 16.982 29.005 1.00 21.68 O ATOM 1218 CB HIS A 844 22.343 15.157 26.332 1.00 20.16 C ATOM 1219 CG HIS A 844 20.906 15.474 26.079 1.00 20.87 C ATOM 1220 ND1 HIS A 844 20.500 16.291 25.046 1.00 21.82 N ATOM 1221 CD2 HIS A 844 19.773 15.076 26.703 1.00 18.44 C ATOM 1222 CE1 HIS A 844 19.170 16.299 24.989 1.00 20.76 C ATOM 1223 NE2 HIS A 844 18.715 15.649 26.039 1.00 19.88 N ATOM 0 H HIS A 844 24.591 14.854 27.163 1.00 18.25 H new ATOM 0 HA HIS A 844 23.048 16.947 27.017 1.00 20.91 H new ATOM 0 HB2 HIS A 844 22.826 15.222 25.493 1.00 20.16 H new ATOM 0 HB3 HIS A 844 22.409 14.235 26.626 1.00 20.16 H new ATOM 0 HD2 HIS A 844 19.720 14.517 27.445 1.00 18.44 H new ATOM 0 HE1 HIS A 844 18.653 16.694 24.324 1.00 20.76 H new ATOM 0 HE2 HIS A 844 17.889 15.592 26.272 1.00 19.88 H new ATOM 1224 N LYS A 845 22.363 14.929 29.418 1.00 21.64 N ATOM 1225 CA ALYS A 845 21.693 14.817 30.747 0.50 25.31 C ATOM 1226 CA BLYS A 845 21.646 14.852 30.686 0.50 25.20 C ATOM 1227 C LYS A 845 22.130 15.890 31.699 1.00 25.45 C ATOM 1228 O LYS A 845 21.324 16.527 32.408 1.00 29.66 O ATOM 1229 CB ALYS A 845 22.046 13.494 31.433 0.50 28.03 C ATOM 1230 CB BLYS A 845 21.795 13.460 31.260 0.50 26.99 C ATOM 1231 CG ALYS A 845 21.409 12.322 30.773 0.50 33.36 C ATOM 1232 CG BLYS A 845 21.136 13.322 32.604 0.50 31.87 C ATOM 1233 CD ALYS A 845 22.012 10.977 31.161 0.50 37.68 C ATOM 1234 CD BLYS A 845 22.202 13.186 33.612 0.50 33.43 C ATOM 1235 CE ALYS A 845 21.133 10.306 32.185 0.50 39.28 C ATOM 1236 CE BLYS A 845 22.261 11.737 33.989 0.50 33.71 C ATOM 1237 NZ ALYS A 845 21.292 8.823 32.106 0.50 41.35 N ATOM 1238 NZ BLYS A 845 21.288 11.575 35.104 0.50 34.43 N ATOM 0 H ALYS A 845 22.820 14.236 29.192 0.50 21.64 H new ATOM 0 H BLYS A 845 22.838 14.240 29.221 0.50 21.64 H new ATOM 0 HA ALYS A 845 20.744 14.889 30.559 0.50 25.20 H new ATOM 0 HA BLYS A 845 20.712 15.046 30.508 0.50 25.20 H new ATOM 0 HB2ALYS A 845 23.009 13.379 31.431 0.50 26.99 H new ATOM 0 HB2BLYS A 845 21.409 12.816 30.646 0.50 26.99 H new ATOM 0 HB3ALYS A 845 21.767 13.530 32.361 0.50 26.99 H new ATOM 0 HB3BLYS A 845 22.737 13.245 31.341 0.50 26.99 H new ATOM 0 HG2ALYS A 845 20.464 12.316 30.991 0.50 31.87 H new ATOM 0 HG2BLYS A 845 20.584 14.097 32.794 0.50 31.87 H new ATOM 0 HG3ALYS A 845 21.477 12.429 29.811 0.50 31.87 H new ATOM 0 HG3BLYS A 845 20.552 12.548 32.619 0.50 31.87 H new ATOM 0 HD2ALYS A 845 22.099 10.413 30.377 0.50 33.43 H new ATOM 0 HD2BLYS A 845 23.053 13.483 33.254 0.50 33.43 H new ATOM 0 HD3ALYS A 845 22.904 11.104 31.520 0.50 33.43 H new ATOM 0 HD3BLYS A 845 22.013 13.736 34.388 0.50 33.43 H new ATOM 0 HE2ALYS A 845 21.365 10.616 33.074 0.50 33.71 H new ATOM 0 HE2BLYS A 845 22.027 11.171 33.237 0.50 33.71 H new ATOM 0 HE3ALYS A 845 20.206 10.547 32.034 0.50 33.71 H new ATOM 0 HE3BLYS A 845 23.155 11.485 34.267 0.50 33.71 H new ATOM 0 HZ1ALYS A 845 20.770 8.435 32.714 0.50 34.43 H new ATOM 0 HZ1BLYS A 845 21.281 10.726 35.371 0.50 34.43 H new ATOM 0 HZ2ALYS A 845 21.060 8.542 31.294 0.50 34.43 H new ATOM 0 HZ2BLYS A 845 21.526 12.097 35.784 0.50 34.43 H new ATOM 0 HZ3ALYS A 845 22.141 8.606 32.263 0.50 34.43 H new ATOM 0 HZ3BLYS A 845 20.475 11.805 34.824 0.50 34.43 H new ATOM 1239 N GLU A 846 23.412 16.057 31.784 1.00 23.46 N ATOM 1240 CA GLU A 846 23.922 17.097 32.667 1.00 28.97 C ATOM 1241 C GLU A 846 23.502 18.513 32.273 1.00 25.88 C ATOM 1242 O GLU A 846 23.200 19.344 33.151 1.00 29.41 O ATOM 1243 CB GLU A 846 25.418 16.991 32.816 1.00 29.35 C ATOM 1244 CG GLU A 846 25.890 15.691 33.493 1.00 33.66 C ATOM 1245 CD GLU A 846 25.259 15.488 34.887 1.00 44.06 C ATOM 1246 OE1 GLU A 846 25.666 16.253 35.783 1.00 45.87 O ATOM 1247 OE2 GLU A 846 24.354 14.614 35.051 1.00 42.46 O ATOM 0 H GLU A 846 24.005 15.602 31.359 1.00 23.46 H new ATOM 0 HA GLU A 846 23.508 16.937 33.529 1.00 28.97 H new ATOM 0 HB2 GLU A 846 25.826 17.054 31.938 1.00 29.35 H new ATOM 0 HB3 GLU A 846 25.737 17.748 33.332 1.00 29.35 H new ATOM 0 HG2 GLU A 846 25.667 14.936 32.927 1.00 33.66 H new ATOM 0 HG3 GLU A 846 26.856 15.706 33.578 1.00 33.66 H new ATOM 1248 N PHE A 847 23.457 18.801 30.986 1.00 23.34 N ATOM 1249 CA PHE A 847 23.192 20.199 30.553 1.00 24.50 C ATOM 1250 C PHE A 847 21.713 20.559 30.747 1.00 25.89 C ATOM 1251 O PHE A 847 21.381 21.660 31.240 1.00 24.81 O ATOM 1252 CB PHE A 847 23.615 20.420 29.110 1.00 23.29 C ATOM 1253 CG PHE A 847 23.379 21.820 28.647 1.00 22.05 C ATOM 1254 CD1 PHE A 847 24.226 22.805 29.086 1.00 25.64 C ATOM 1255 CD2 PHE A 847 22.351 22.133 27.767 1.00 20.64 C ATOM 1256 CE1 PHE A 847 24.055 24.163 28.680 1.00 23.31 C ATOM 1257 CE2 PHE A 847 22.159 23.456 27.325 1.00 23.43 C ATOM 1258 CZ PHE A 847 23.023 24.476 27.790 1.00 22.17 C ATOM 0 H PHE A 847 23.571 18.234 30.350 1.00 23.34 H new ATOM 0 HA PHE A 847 23.725 20.787 31.111 1.00 24.50 H new ATOM 0 HB2 PHE A 847 24.557 20.207 29.017 1.00 23.29 H new ATOM 0 HB3 PHE A 847 23.128 19.808 28.537 1.00 23.29 H new ATOM 0 HD1 PHE A 847 24.925 22.584 29.659 1.00 25.64 H new ATOM 0 HD2 PHE A 847 21.783 21.461 27.466 1.00 20.64 H new ATOM 0 HE1 PHE A 847 24.620 24.828 29.002 1.00 23.31 H new ATOM 0 HE2 PHE A 847 21.471 23.658 26.733 1.00 23.43 H new ATOM 0 HZ PHE A 847 22.905 25.353 27.504 1.00 22.17 H new ATOM 1259 N TYR A 848 20.826 19.633 30.383 1.00 22.12 N ATOM 1260 CA TYR A 848 19.424 19.927 30.381 1.00 22.42 C ATOM 1261 C TYR A 848 18.766 19.681 31.706 1.00 29.27 C ATOM 1262 O TYR A 848 17.617 20.078 31.850 1.00 39.69 O ATOM 1263 CB TYR A 848 18.678 19.283 29.242 1.00 21.84 C ATOM 1264 CG TYR A 848 19.059 19.918 27.907 1.00 22.20 C ATOM 1265 CD1 TYR A 848 18.527 21.144 27.512 1.00 21.78 C ATOM 1266 CD2 TYR A 848 19.864 19.273 27.011 1.00 19.94 C ATOM 1267 CE1 TYR A 848 18.880 21.704 26.301 1.00 21.43 C ATOM 1268 CE2 TYR A 848 20.163 19.804 25.780 1.00 20.78 C ATOM 1269 CZ TYR A 848 19.684 21.058 25.461 1.00 23.17 C ATOM 1270 OH TYR A 848 19.994 21.655 24.255 1.00 26.87 O ATOM 0 H TYR A 848 21.029 18.834 30.137 1.00 22.12 H new ATOM 0 HA TYR A 848 19.370 20.883 30.227 1.00 22.42 H new ATOM 0 HB2 TYR A 848 18.874 18.333 29.219 1.00 21.84 H new ATOM 0 HB3 TYR A 848 17.723 19.373 29.385 1.00 21.84 H new ATOM 0 HD1 TYR A 848 17.929 21.588 28.069 1.00 21.78 H new ATOM 0 HD2 TYR A 848 20.222 18.446 27.242 1.00 19.94 H new ATOM 0 HE1 TYR A 848 18.552 22.543 26.070 1.00 21.43 H new ATOM 0 HE2 TYR A 848 20.680 19.326 25.172 1.00 20.78 H new ATOM 0 HH TYR A 848 19.982 22.490 24.344 1.00 26.87 H new ATOM 1271 N ARG A 849 19.468 19.117 32.677 1.00 30.39 N ATOM 1272 CA ARG A 849 19.018 19.159 34.115 1.00 43.14 C ATOM 1273 C ARG A 849 17.567 18.693 34.225 1.00 40.23 C ATOM 1274 O ARG A 849 17.276 17.576 33.866 1.00 45.64 O ATOM 1275 CB ARG A 849 19.098 20.563 34.720 1.00 51.74 C ATOM 1276 CG ARG A 849 20.404 21.266 34.635 1.00 65.03 C ATOM 1277 CD ARG A 849 21.381 20.749 35.631 1.00 73.12 C ATOM 1278 NE ARG A 849 22.437 21.758 35.732 1.00 81.17 N ATOM 1279 CZ ARG A 849 22.689 22.515 36.791 1.00 77.62 C ATOM 1280 NH1 ARG A 849 21.992 22.392 37.912 1.00 77.88 N ATOM 1281 NH2 ARG A 849 23.683 23.392 36.733 1.00 84.59 N ATOM 0 H ARG A 849 20.209 18.700 32.551 1.00 30.39 H new ATOM 0 HA ARG A 849 19.618 18.574 34.603 1.00 43.14 H new ATOM 0 HB2 ARG A 849 18.430 21.116 34.285 1.00 51.74 H new ATOM 0 HB3 ARG A 849 18.850 20.502 35.656 1.00 51.74 H new ATOM 0 HG2 ARG A 849 20.768 21.163 33.742 1.00 65.03 H new ATOM 0 HG3 ARG A 849 20.269 22.216 34.778 1.00 65.03 H new ATOM 0 HD2 ARG A 849 20.956 20.606 36.491 1.00 73.12 H new ATOM 0 HD3 ARG A 849 21.744 19.895 35.349 1.00 73.12 H new ATOM 0 HE ARG A 849 22.939 21.870 35.043 1.00 81.17 H new ATOM 0 HH11 ARG A 849 21.360 21.811 37.964 1.00 77.88 H new ATOM 0 HH12 ARG A 849 22.172 22.893 38.587 1.00 77.88 H new ATOM 0 HH21 ARG A 849 24.153 23.463 36.016 1.00 84.59 H new ATOM 0 HH22 ARG A 849 23.858 23.890 37.412 1.00 84.59 H new ATOM 1282 N GLU A 850 16.653 19.551 34.662 1.00 41.98 N ATOM 1283 CA GLU A 850 15.327 19.069 34.926 1.00 44.44 C ATOM 1284 C GLU A 850 14.418 19.364 33.761 1.00 35.31 C ATOM 1285 O GLU A 850 13.265 19.024 33.851 1.00 37.38 O ATOM 1286 CB GLU A 850 14.747 19.658 36.244 1.00 53.17 C ATOM 1287 CG GLU A 850 15.674 19.615 37.467 1.00 61.75 C ATOM 1288 CD GLU A 850 16.150 18.215 37.803 1.00 66.34 C ATOM 1289 OE1 GLU A 850 15.288 17.413 38.206 1.00 82.79 O ATOM 1290 OE2 GLU A 850 17.366 17.911 37.666 1.00 75.57 O ATOM 0 H GLU A 850 16.783 20.389 34.806 1.00 41.98 H new ATOM 0 HA GLU A 850 15.382 18.108 35.042 1.00 44.44 H new ATOM 0 HB2 GLU A 850 14.497 20.581 36.082 1.00 53.17 H new ATOM 0 HB3 GLU A 850 13.933 19.178 36.461 1.00 53.17 H new ATOM 0 HG2 GLU A 850 16.444 20.182 37.303 1.00 61.75 H new ATOM 0 HG3 GLU A 850 15.208 19.985 38.233 1.00 61.75 H new ATOM 1291 N ASP A 851 14.880 19.985 32.663 1.00 28.83 N ATOM 1292 CA ASP A 851 14.009 20.145 31.524 1.00 28.46 C ATOM 1293 C ASP A 851 13.656 18.757 31.030 1.00 29.16 C ATOM 1294 O ASP A 851 14.519 17.851 30.984 1.00 26.46 O ATOM 1295 CB ASP A 851 14.703 20.921 30.388 1.00 32.90 C ATOM 1296 CG ASP A 851 13.757 21.432 29.317 1.00 35.39 C ATOM 1297 OD1 ASP A 851 13.115 20.646 28.573 1.00 26.39 O ATOM 1298 OD2 ASP A 851 13.779 22.667 29.104 1.00 35.66 O ATOM 0 H ASP A 851 15.672 20.307 32.572 1.00 28.83 H new ATOM 0 HA ASP A 851 13.222 20.647 31.787 1.00 28.46 H new ATOM 0 HB2 ASP A 851 15.181 21.674 30.769 1.00 32.90 H new ATOM 0 HB3 ASP A 851 15.364 20.345 29.973 1.00 32.90 H new ATOM 1299 N LYS A 852 12.448 18.633 30.535 1.00 22.08 N ATOM 1300 CA LYS A 852 11.951 17.346 30.061 1.00 24.31 C ATOM 1301 C LYS A 852 12.713 16.881 28.798 1.00 21.13 C ATOM 1302 O LYS A 852 12.680 15.670 28.434 1.00 21.85 O ATOM 1303 CB LYS A 852 10.476 17.371 29.809 1.00 28.00 C ATOM 1304 CG LYS A 852 10.072 18.315 28.720 1.00 30.28 C ATOM 1305 CD LYS A 852 8.576 18.447 28.622 1.00 36.06 C ATOM 1306 CE LYS A 852 8.249 19.620 27.679 1.00 34.30 C ATOM 1307 NZ LYS A 852 6.819 19.717 27.319 1.00 30.05 N ATOM 0 H LYS A 852 11.888 19.282 30.460 1.00 22.08 H new ATOM 0 HA LYS A 852 12.114 16.704 30.769 1.00 24.31 H new ATOM 0 HB2 LYS A 852 10.179 16.477 29.578 1.00 28.00 H new ATOM 0 HB3 LYS A 852 10.019 17.619 30.628 1.00 28.00 H new ATOM 0 HG2 LYS A 852 10.464 19.187 28.886 1.00 30.28 H new ATOM 0 HG3 LYS A 852 10.425 18.002 27.873 1.00 30.28 H new ATOM 0 HD2 LYS A 852 8.187 17.625 28.285 1.00 36.06 H new ATOM 0 HD3 LYS A 852 8.193 18.603 29.500 1.00 36.06 H new ATOM 0 HE2 LYS A 852 8.524 20.449 28.101 1.00 34.30 H new ATOM 0 HE3 LYS A 852 8.772 19.527 26.868 1.00 34.30 H new ATOM 0 HZ1 LYS A 852 6.734 20.176 26.561 1.00 30.05 H new ATOM 0 HZ2 LYS A 852 6.484 18.900 27.210 1.00 30.05 H new ATOM 0 HZ3 LYS A 852 6.377 20.134 27.969 1.00 30.05 H new ATOM 1308 N PHE A 853 13.422 17.816 28.175 1.00 19.32 N ATOM 1309 CA PHE A 853 14.247 17.501 26.997 1.00 21.22 C ATOM 1310 C PHE A 853 15.361 16.522 27.374 1.00 20.16 C ATOM 1311 O PHE A 853 15.862 15.786 26.469 1.00 18.66 O ATOM 1312 CB PHE A 853 14.775 18.747 26.377 1.00 21.55 C ATOM 1313 CG PHE A 853 15.411 18.588 25.014 1.00 20.29 C ATOM 1314 CD1 PHE A 853 14.705 18.045 23.972 1.00 23.29 C ATOM 1315 CD2 PHE A 853 16.691 19.018 24.780 1.00 20.12 C ATOM 1316 CE1 PHE A 853 15.269 17.970 22.699 1.00 23.88 C ATOM 1317 CE2 PHE A 853 17.279 18.943 23.518 1.00 23.36 C ATOM 1318 CZ PHE A 853 16.561 18.434 22.484 1.00 22.37 C ATOM 0 H PHE A 853 13.443 18.642 28.414 1.00 19.32 H new ATOM 0 HA PHE A 853 13.694 17.065 26.330 1.00 21.22 H new ATOM 0 HB2 PHE A 853 14.047 19.384 26.303 1.00 21.55 H new ATOM 0 HB3 PHE A 853 15.431 19.134 26.978 1.00 21.55 H new ATOM 0 HD1 PHE A 853 13.844 17.724 24.115 1.00 23.29 H new ATOM 0 HD2 PHE A 853 17.183 19.371 25.486 1.00 20.12 H new ATOM 0 HE1 PHE A 853 14.781 17.610 21.994 1.00 23.88 H new ATOM 0 HE2 PHE A 853 18.151 19.238 23.386 1.00 23.36 H new ATOM 0 HZ PHE A 853 16.934 18.396 21.633 1.00 22.37 H new ATOM 1319 N THR A 854 15.719 16.449 28.633 1.00 20.32 N ATOM 1320 CA ATHR A 854 16.660 15.417 29.127 0.37 21.94 C ATOM 1321 CA BTHR A 854 16.670 15.394 29.067 0.63 21.52 C ATOM 1322 C THR A 854 16.270 14.001 28.641 1.00 21.94 C ATOM 1323 O THR A 854 17.160 13.147 28.387 1.00 20.57 O ATOM 1324 CB ATHR A 854 16.794 15.489 30.689 0.37 24.20 C ATOM 1325 CB BTHR A 854 16.877 15.329 30.592 0.63 24.10 C ATOM 1326 OG1ATHR A 854 17.939 14.751 31.154 0.37 25.37 O ATOM 1327 OG1BTHR A 854 15.644 15.030 31.258 0.63 25.37 O ATOM 1328 CG2ATHR A 854 15.563 14.920 31.374 0.37 24.36 C ATOM 1329 CG2BTHR A 854 17.469 16.565 31.114 0.63 21.17 C ATOM 0 H ATHR A 854 15.435 16.986 29.241 0.37 20.32 H new ATOM 0 H BTHR A 854 15.444 16.975 29.255 0.63 20.32 H new ATOM 0 HA ATHR A 854 17.533 15.605 28.748 0.37 21.52 H new ATOM 0 HA BTHR A 854 17.490 15.664 28.625 0.63 21.52 H new ATOM 0 HB ATHR A 854 16.895 16.428 30.912 0.37 24.10 H new ATOM 0 HB BTHR A 854 17.504 14.611 30.772 0.63 24.10 H new ATOM 0 HG1ATHR A 854 17.988 14.807 31.991 0.37 25.37 H new ATOM 0 HG1BTHR A 854 15.167 15.721 31.288 0.63 25.37 H new ATOM 0 HG21ATHR A 854 15.672 14.977 32.336 0.37 21.17 H new ATOM 0 HG21BTHR A 854 17.585 16.488 32.074 0.63 21.17 H new ATOM 0 HG22ATHR A 854 14.780 15.427 31.107 0.37 21.17 H new ATOM 0 HG22BTHR A 854 18.332 16.713 30.696 0.63 21.17 H new ATOM 0 HG23ATHR A 854 15.449 13.992 31.116 0.37 21.17 H new ATOM 0 HG23BTHR A 854 16.883 17.313 30.918 0.63 21.17 H new ATOM 1330 N ARG A 855 14.975 13.714 28.516 1.00 21.02 N ATOM 1331 CA ARG A 855 14.511 12.412 28.149 1.00 24.20 C ATOM 1332 C ARG A 855 14.978 11.929 26.763 1.00 20.82 C ATOM 1333 O ARG A 855 15.187 10.691 26.562 1.00 18.99 O ATOM 1334 CB ARG A 855 12.967 12.358 28.225 1.00 28.98 C ATOM 1335 CG ARG A 855 12.310 11.006 27.916 1.00 41.84 C ATOM 1336 CD ARG A 855 10.899 10.916 28.498 1.00 51.10 C ATOM 1337 NE ARG A 855 10.137 9.720 28.063 1.00 54.22 N ATOM 1338 CZ ARG A 855 9.227 9.672 27.079 1.00 61.82 C ATOM 1339 NH1 ARG A 855 8.926 10.747 26.321 1.00 58.47 N ATOM 1340 NH2 ARG A 855 8.612 8.508 26.820 1.00 64.53 N ATOM 0 H ARG A 855 14.346 14.286 28.647 1.00 21.02 H new ATOM 0 HA ARG A 855 14.911 11.805 28.791 1.00 24.20 H new ATOM 0 HB2 ARG A 855 12.698 12.629 29.117 1.00 28.98 H new ATOM 0 HB3 ARG A 855 12.610 13.016 27.609 1.00 28.98 H new ATOM 0 HG2 ARG A 855 12.273 10.876 26.955 1.00 41.84 H new ATOM 0 HG3 ARG A 855 12.856 10.291 28.278 1.00 41.84 H new ATOM 0 HD2 ARG A 855 10.959 10.914 29.466 1.00 51.10 H new ATOM 0 HD3 ARG A 855 10.405 11.711 28.246 1.00 51.10 H new ATOM 0 HE ARG A 855 10.294 8.986 28.483 1.00 54.22 H new ATOM 0 HH11 ARG A 855 9.323 11.497 26.461 1.00 58.47 H new ATOM 0 HH12 ARG A 855 8.337 10.682 25.698 1.00 58.47 H new ATOM 0 HH21 ARG A 855 8.804 7.808 27.282 1.00 64.53 H new ATOM 0 HH22 ARG A 855 8.026 8.462 26.192 1.00 64.53 H new ATOM 1341 N LEU A 856 15.250 12.874 25.883 1.00 19.22 N ATOM 1342 CA LEU A 856 15.745 12.461 24.575 1.00 20.46 C ATOM 1343 C LEU A 856 17.089 11.713 24.726 1.00 18.91 C ATOM 1344 O LEU A 856 17.345 10.766 23.986 1.00 19.81 O ATOM 1345 CB LEU A 856 15.910 13.623 23.613 1.00 22.08 C ATOM 1346 CG LEU A 856 14.695 14.033 22.755 1.00 25.35 C ATOM 1347 CD1 LEU A 856 14.189 12.995 21.769 1.00 31.13 C ATOM 1348 CD2 LEU A 856 13.544 14.414 23.644 1.00 27.74 C ATOM 0 H LEU A 856 15.163 13.720 26.007 1.00 19.22 H new ATOM 0 HA LEU A 856 15.076 11.869 24.197 1.00 20.46 H new ATOM 0 HB2 LEU A 856 16.185 14.398 24.128 1.00 22.08 H new ATOM 0 HB3 LEU A 856 16.640 13.409 23.011 1.00 22.08 H new ATOM 0 HG LEU A 856 15.027 14.774 22.224 1.00 25.35 H new ATOM 0 HD11 LEU A 856 13.429 13.352 21.284 1.00 31.13 H new ATOM 0 HD12 LEU A 856 14.895 12.772 21.143 1.00 31.13 H new ATOM 0 HD13 LEU A 856 13.920 12.196 22.249 1.00 31.13 H new ATOM 0 HD21 LEU A 856 12.784 14.670 23.098 1.00 27.74 H new ATOM 0 HD22 LEU A 856 13.301 13.658 24.201 1.00 27.74 H new ATOM 0 HD23 LEU A 856 13.803 15.160 24.207 1.00 27.74 H new ATOM 1349 N GLY A 857 17.964 12.182 25.587 1.00 19.78 N ATOM 1350 CA GLY A 857 19.210 11.484 25.849 1.00 19.96 C ATOM 1351 C GLY A 857 19.022 10.105 26.415 1.00 20.69 C ATOM 1352 O GLY A 857 19.782 9.191 26.085 1.00 19.15 O ATOM 0 H GLY A 857 17.859 12.908 26.036 1.00 19.78 H new ATOM 0 HA2 GLY A 857 19.715 11.420 25.024 1.00 19.96 H new ATOM 0 HA3 GLY A 857 19.742 12.009 26.467 1.00 19.96 H new ATOM 1353 N ILE A 858 18.081 9.978 27.345 1.00 20.18 N ATOM 1354 CA ILE A 858 17.756 8.682 27.907 1.00 22.11 C ATOM 1355 C ILE A 858 17.232 7.714 26.825 1.00 20.16 C ATOM 1356 O ILE A 858 17.683 6.555 26.725 1.00 19.85 O ATOM 1357 CB ILE A 858 16.722 8.788 29.060 1.00 23.36 C ATOM 1358 CG1 ILE A 858 17.378 9.494 30.234 1.00 26.91 C ATOM 1359 CG2 ILE A 858 16.225 7.379 29.424 1.00 24.97 C ATOM 1360 CD1 ILE A 858 16.361 9.962 31.253 1.00 32.98 C ATOM 0 H ILE A 858 17.621 10.632 27.661 1.00 20.18 H new ATOM 0 HA ILE A 858 18.582 8.328 28.273 1.00 22.11 H new ATOM 0 HB ILE A 858 15.948 9.308 28.793 1.00 23.36 H new ATOM 0 HG12 ILE A 858 18.009 8.893 30.660 1.00 26.91 H new ATOM 0 HG13 ILE A 858 17.885 10.255 29.911 1.00 26.91 H new ATOM 0 HG21 ILE A 858 15.578 7.440 30.144 1.00 24.97 H new ATOM 0 HG22 ILE A 858 15.807 6.973 28.649 1.00 24.97 H new ATOM 0 HG23 ILE A 858 16.975 6.835 29.709 1.00 24.97 H new ATOM 0 HD11 ILE A 858 16.817 10.406 31.985 1.00 32.98 H new ATOM 0 HD12 ILE A 858 15.744 10.581 30.833 1.00 32.98 H new ATOM 0 HD13 ILE A 858 15.870 9.198 31.595 1.00 32.98 H new ATOM 1361 N GLN A 859 16.399 8.208 25.924 1.00 18.99 N ATOM 1362 CA GLN A 859 15.844 7.407 24.917 1.00 20.31 C ATOM 1363 C GLN A 859 16.863 6.927 23.904 1.00 19.33 C ATOM 1364 O GLN A 859 16.875 5.725 23.510 1.00 19.14 O ATOM 1365 CB GLN A 859 14.723 8.146 24.161 1.00 22.41 C ATOM 1366 CG GLN A 859 13.544 8.388 25.081 1.00 24.46 C ATOM 1367 CD GLN A 859 12.481 9.235 24.432 1.00 29.33 C ATOM 1368 OE1 GLN A 859 12.773 10.241 23.715 1.00 26.89 O ATOM 1369 NE2 GLN A 859 11.237 8.813 24.622 1.00 37.56 N ATOM 0 H GLN A 859 16.151 9.031 25.900 1.00 18.99 H new ATOM 0 HA GLN A 859 15.485 6.634 25.381 1.00 20.31 H new ATOM 0 HB2 GLN A 859 15.056 8.991 23.821 1.00 22.41 H new ATOM 0 HB3 GLN A 859 14.442 7.623 23.394 1.00 22.41 H new ATOM 0 HG2 GLN A 859 13.161 7.537 25.344 1.00 24.46 H new ATOM 0 HG3 GLN A 859 13.852 8.823 25.891 1.00 24.46 H new ATOM 0 HE21 GLN A 859 11.087 8.126 25.117 1.00 37.56 H new ATOM 0 HE22 GLN A 859 10.581 9.227 24.250 1.00 37.56 H new ATOM 1370 N VAL A 860 17.711 7.840 23.435 1.00 16.91 N ATOM 1371 CA VAL A 860 18.698 7.466 22.410 1.00 16.74 C ATOM 1372 C VAL A 860 19.842 6.629 23.059 1.00 17.39 C ATOM 1373 O VAL A 860 20.242 5.640 22.482 1.00 17.58 O ATOM 1374 CB VAL A 860 19.217 8.615 21.655 1.00 18.33 C ATOM 1375 CG1 VAL A 860 20.186 8.129 20.596 1.00 17.58 C ATOM 1376 CG2 VAL A 860 18.062 9.385 20.995 1.00 17.62 C ATOM 0 H VAL A 860 17.736 8.662 23.686 1.00 16.91 H new ATOM 0 HA VAL A 860 18.241 6.918 21.752 1.00 16.74 H new ATOM 0 HB VAL A 860 19.679 9.212 22.265 1.00 18.33 H new ATOM 0 HG11 VAL A 860 20.528 8.888 20.098 1.00 17.58 H new ATOM 0 HG12 VAL A 860 20.923 7.663 21.021 1.00 17.58 H new ATOM 0 HG13 VAL A 860 19.728 7.525 19.991 1.00 17.58 H new ATOM 0 HG21 VAL A 860 18.417 10.140 20.500 1.00 17.62 H new ATOM 0 HG22 VAL A 860 17.586 8.797 20.388 1.00 17.62 H new ATOM 0 HG23 VAL A 860 17.453 9.705 21.679 1.00 17.62 H new ATOM 1377 N GLN A 861 20.149 6.890 24.310 1.00 16.53 N ATOM 1378 CA GLN A 861 21.091 6.021 25.037 1.00 17.16 C ATOM 1379 C GLN A 861 20.564 4.583 25.134 1.00 18.26 C ATOM 1380 O GLN A 861 21.346 3.631 24.994 1.00 17.39 O ATOM 1381 CB GLN A 861 21.490 6.568 26.436 1.00 19.34 C ATOM 1382 CG GLN A 861 22.575 5.598 26.999 1.00 24.78 C ATOM 1383 CD GLN A 861 23.521 6.141 28.040 1.00 31.35 C ATOM 1384 OE1 GLN A 861 23.236 7.153 28.643 1.00 32.39 O ATOM 1385 NE2 GLN A 861 24.643 5.390 28.318 1.00 30.74 N ATOM 0 H GLN A 861 19.837 7.551 24.764 1.00 16.53 H new ATOM 0 HA GLN A 861 21.905 6.016 24.510 1.00 17.16 H new ATOM 0 HB2 GLN A 861 21.837 7.471 26.367 1.00 19.34 H new ATOM 0 HB3 GLN A 861 20.720 6.604 27.025 1.00 19.34 H new ATOM 0 HG2 GLN A 861 22.121 4.829 27.379 1.00 24.78 H new ATOM 0 HG3 GLN A 861 23.104 5.275 26.253 1.00 24.78 H new ATOM 0 HE21 GLN A 861 24.807 4.678 27.865 1.00 30.74 H new ATOM 0 HE22 GLN A 861 25.179 5.634 28.945 1.00 30.74 H new ATOM 1386 N ASP A 862 19.291 4.411 25.392 1.00 18.91 N ATOM 1387 CA AASP A 862 18.720 3.066 25.468 0.49 20.47 C ATOM 1388 CA BASP A 862 18.736 3.070 25.480 0.51 20.81 C ATOM 1389 C ASP A 862 18.867 2.292 24.156 1.00 21.21 C ATOM 1390 O ASP A 862 19.138 1.061 24.159 1.00 19.81 O ATOM 1391 CB AASP A 862 17.259 3.111 25.880 0.49 21.46 C ATOM 1392 CB BASP A 862 17.296 3.140 25.970 0.51 21.82 C ATOM 1393 CG AASP A 862 17.067 3.486 27.328 0.49 25.41 C ATOM 1394 CG BASP A 862 16.740 1.783 26.383 0.51 27.23 C ATOM 1395 OD1AASP A 862 18.045 3.446 28.086 0.49 24.13 O ATOM 1396 OD1BASP A 862 17.447 1.023 27.048 0.51 29.77 O ATOM 1397 OD2AASP A 862 15.910 3.859 27.717 0.49 30.29 O ATOM 1398 OD2BASP A 862 15.576 1.477 26.070 0.51 26.09 O ATOM 0 H AASP A 862 18.731 5.050 25.528 0.49 18.91 H new ATOM 0 H BASP A 862 18.727 5.048 25.520 0.51 18.91 H new ATOM 0 HA AASP A 862 19.227 2.594 26.147 0.49 20.81 H new ATOM 0 HA BASP A 862 19.255 2.568 26.128 0.51 20.81 H new ATOM 0 HB2AASP A 862 16.790 3.750 25.321 0.49 21.82 H new ATOM 0 HB2BASP A 862 17.246 3.748 26.725 0.51 21.82 H new ATOM 0 HB3AASP A 862 16.856 2.243 25.719 0.49 21.82 H new ATOM 0 HB3BASP A 862 16.739 3.512 25.269 0.51 21.82 H new ATOM 1399 N ILE A 863 18.714 2.989 23.022 1.00 17.47 N ATOM 1400 CA ILE A 863 18.918 2.407 21.709 1.00 18.62 C ATOM 1401 C ILE A 863 20.337 2.000 21.549 1.00 17.40 C ATOM 1402 O ILE A 863 20.657 0.854 21.156 1.00 18.48 O ATOM 1403 CB ILE A 863 18.522 3.417 20.537 1.00 20.55 C ATOM 1404 CG1 ILE A 863 17.018 3.715 20.635 1.00 23.10 C ATOM 1405 CG2 ILE A 863 18.875 2.837 19.182 1.00 22.40 C ATOM 1406 CD1 ILE A 863 16.122 2.545 20.392 1.00 29.39 C ATOM 0 H ILE A 863 18.487 3.818 23.004 1.00 17.47 H new ATOM 0 HA ILE A 863 18.339 1.631 21.644 1.00 18.62 H new ATOM 0 HB ILE A 863 19.023 4.242 20.634 1.00 20.55 H new ATOM 0 HG12 ILE A 863 16.830 4.071 21.518 1.00 23.10 H new ATOM 0 HG13 ILE A 863 16.798 4.411 19.996 1.00 23.10 H new ATOM 0 HG21 ILE A 863 18.627 3.465 18.486 1.00 22.40 H new ATOM 0 HG22 ILE A 863 19.830 2.670 19.140 1.00 22.40 H new ATOM 0 HG23 ILE A 863 18.395 2.004 19.051 1.00 22.40 H new ATOM 0 HD11 ILE A 863 15.196 2.824 20.474 1.00 29.39 H new ATOM 0 HD12 ILE A 863 16.277 2.198 19.500 1.00 29.39 H new ATOM 0 HD13 ILE A 863 16.310 1.852 21.045 1.00 29.39 H new ATOM 1407 N PHE A 864 21.243 2.891 21.927 1.00 16.07 N ATOM 1408 CA PHE A 864 22.666 2.557 21.909 1.00 16.72 C ATOM 1409 C PHE A 864 22.973 1.270 22.737 1.00 16.26 C ATOM 1410 O PHE A 864 23.638 0.413 22.249 1.00 16.59 O ATOM 1411 CB PHE A 864 23.569 3.707 22.388 1.00 18.44 C ATOM 1412 CG PHE A 864 25.004 3.346 22.541 1.00 15.58 C ATOM 1413 CD1 PHE A 864 25.774 3.159 21.449 1.00 15.88 C ATOM 1414 CD2 PHE A 864 25.530 3.155 23.794 1.00 17.09 C ATOM 1415 CE1 PHE A 864 27.087 2.824 21.567 1.00 17.78 C ATOM 1416 CE2 PHE A 864 26.837 2.752 23.958 1.00 17.33 C ATOM 1417 CZ PHE A 864 27.646 2.625 22.815 1.00 16.87 C ATOM 0 H PHE A 864 21.061 3.688 22.195 1.00 16.07 H new ATOM 0 HA PHE A 864 22.873 2.392 20.976 1.00 16.72 H new ATOM 0 HB2 PHE A 864 23.498 4.442 21.759 1.00 18.44 H new ATOM 0 HB3 PHE A 864 23.236 4.030 23.240 1.00 18.44 H new ATOM 0 HD1 PHE A 864 25.401 3.261 20.603 1.00 15.88 H new ATOM 0 HD2 PHE A 864 24.997 3.300 24.542 1.00 17.09 H new ATOM 0 HE1 PHE A 864 27.611 2.728 20.804 1.00 17.78 H new ATOM 0 HE2 PHE A 864 27.176 2.568 24.804 1.00 17.33 H new ATOM 0 HZ PHE A 864 28.547 2.410 22.898 1.00 16.87 H new ATOM 1418 N GLU A 865 22.535 1.237 23.980 1.00 16.08 N ATOM 1419 CA GLU A 865 22.887 0.196 24.905 1.00 19.19 C ATOM 1420 C GLU A 865 22.343 -1.202 24.520 1.00 17.91 C ATOM 1421 O GLU A 865 23.029 -2.186 24.578 1.00 18.52 O ATOM 1422 CB GLU A 865 22.520 0.567 26.308 1.00 18.72 C ATOM 1423 CG GLU A 865 23.292 1.733 26.888 1.00 21.11 C ATOM 1424 CD GLU A 865 24.771 1.592 27.089 1.00 23.30 C ATOM 1425 OE1 GLU A 865 25.327 0.452 27.079 1.00 24.97 O ATOM 1426 OE2 GLU A 865 25.444 2.670 27.338 1.00 23.27 O ATOM 0 H GLU A 865 22.013 1.835 24.312 1.00 16.08 H new ATOM 0 HA GLU A 865 23.852 0.116 24.854 1.00 19.19 H new ATOM 0 HB2 GLU A 865 21.574 0.779 26.335 1.00 18.72 H new ATOM 0 HB3 GLU A 865 22.654 -0.207 26.878 1.00 18.72 H new ATOM 0 HG2 GLU A 865 23.146 2.498 26.310 1.00 21.11 H new ATOM 0 HG3 GLU A 865 22.898 1.947 27.748 1.00 21.11 H new ATOM 1427 N LYS A 866 21.103 -1.234 24.114 1.00 18.40 N ATOM 1428 CA LYS A 866 20.459 -2.431 23.576 1.00 20.17 C ATOM 1429 C LYS A 866 21.193 -2.990 22.417 1.00 19.52 C ATOM 1430 O LYS A 866 21.485 -4.205 22.395 1.00 18.41 O ATOM 1431 CB LYS A 866 19.002 -2.153 23.152 1.00 22.01 C ATOM 1432 CG LYS A 866 18.010 -2.154 24.289 1.00 30.59 C ATOM 1433 CD LYS A 866 16.576 -1.863 23.752 1.00 33.52 C ATOM 1434 CE LYS A 866 15.601 -1.479 24.880 1.00 43.42 C ATOM 1435 NZ LYS A 866 15.032 -2.730 25.460 1.00 44.91 N ATOM 0 H LYS A 866 20.585 -0.548 24.138 1.00 18.40 H new ATOM 0 HA LYS A 866 20.468 -3.081 24.296 1.00 20.17 H new ATOM 0 HB2 LYS A 866 18.965 -1.292 22.706 1.00 22.01 H new ATOM 0 HB3 LYS A 866 18.733 -2.821 22.502 1.00 22.01 H new ATOM 0 HG2 LYS A 866 18.026 -3.013 24.740 1.00 30.59 H new ATOM 0 HG3 LYS A 866 18.259 -1.484 24.945 1.00 30.59 H new ATOM 0 HD2 LYS A 866 16.615 -1.144 23.102 1.00 33.52 H new ATOM 0 HD3 LYS A 866 16.240 -2.646 23.289 1.00 33.52 H new ATOM 0 HE2 LYS A 866 16.062 -0.969 25.565 1.00 43.42 H new ATOM 0 HE3 LYS A 866 14.892 -0.914 24.535 1.00 43.42 H new ATOM 0 HZ1 LYS A 866 14.466 -2.523 26.115 1.00 44.91 H new ATOM 0 HZ2 LYS A 866 14.600 -3.182 24.826 1.00 44.91 H new ATOM 0 HZ3 LYS A 866 15.690 -3.233 25.786 1.00 44.91 H new ATOM 1436 N ASN A 867 21.583 -2.110 21.463 1.00 18.27 N ATOM 1437 CA ASN A 867 22.308 -2.548 20.306 1.00 18.94 C ATOM 1438 C ASN A 867 23.763 -3.009 20.654 1.00 16.92 C ATOM 1439 O ASN A 867 24.280 -3.937 20.006 1.00 17.16 O ATOM 1440 CB ASN A 867 22.282 -1.565 19.154 1.00 18.95 C ATOM 1441 CG ASN A 867 20.945 -1.608 18.394 1.00 18.54 C ATOM 1442 OD1 ASN A 867 20.730 -2.459 17.540 1.00 23.04 O ATOM 1443 ND2 ASN A 867 20.026 -0.678 18.712 1.00 21.52 N ATOM 0 H ASN A 867 21.426 -1.265 21.490 1.00 18.27 H new ATOM 0 HA ASN A 867 21.827 -3.328 19.988 1.00 18.94 H new ATOM 0 HB2 ASN A 867 22.433 -0.668 19.491 1.00 18.95 H new ATOM 0 HB3 ASN A 867 23.008 -1.765 18.542 1.00 18.95 H new ATOM 0 HD21 ASN A 867 19.265 -0.671 18.312 1.00 21.52 H new ATOM 0 HD22 ASN A 867 20.200 -0.090 19.315 1.00 21.52 H new ATOM 1444 N PHE A 868 24.418 -2.297 21.593 1.00 17.36 N ATOM 1445 CA PHE A 868 25.730 -2.709 22.079 1.00 17.25 C ATOM 1446 C PHE A 868 25.635 -4.126 22.619 1.00 18.35 C ATOM 1447 O PHE A 868 26.465 -4.960 22.263 1.00 17.71 O ATOM 1448 CB PHE A 868 26.208 -1.756 23.135 1.00 16.84 C ATOM 1449 CG PHE A 868 27.520 -2.168 23.771 1.00 18.62 C ATOM 1450 CD1 PHE A 868 28.658 -2.176 23.084 1.00 16.81 C ATOM 1451 CD2 PHE A 868 27.490 -2.654 25.067 1.00 24.95 C ATOM 1452 CE1 PHE A 868 29.897 -2.580 23.696 1.00 18.67 C ATOM 1453 CE2 PHE A 868 28.652 -3.069 25.702 1.00 22.74 C ATOM 1454 CZ PHE A 868 29.871 -2.975 25.013 1.00 22.47 C ATOM 0 H PHE A 868 24.113 -1.578 21.953 1.00 17.36 H new ATOM 0 HA PHE A 868 26.373 -2.694 21.353 1.00 17.25 H new ATOM 0 HB2 PHE A 868 26.309 -0.874 22.743 1.00 16.84 H new ATOM 0 HB3 PHE A 868 25.531 -1.683 23.826 1.00 16.84 H new ATOM 0 HD1 PHE A 868 28.654 -1.916 22.191 1.00 16.81 H new ATOM 0 HD2 PHE A 868 26.679 -2.703 25.519 1.00 24.95 H new ATOM 0 HE1 PHE A 868 30.692 -2.574 23.214 1.00 18.67 H new ATOM 0 HE2 PHE A 868 28.623 -3.404 26.569 1.00 22.74 H new ATOM 0 HZ PHE A 868 30.666 -3.181 25.450 1.00 22.47 H new ATOM 1455 N ARG A 869 24.672 -4.392 23.518 1.00 18.07 N ATOM 1456 CA ARG A 869 24.511 -5.714 24.107 1.00 20.42 C ATOM 1457 C ARG A 869 24.258 -6.803 23.031 1.00 21.99 C ATOM 1458 O ARG A 869 24.867 -7.854 23.082 1.00 21.61 O ATOM 1459 CB ARG A 869 23.472 -5.713 25.169 1.00 19.46 C ATOM 1460 CG ARG A 869 23.876 -4.930 26.354 1.00 21.31 C ATOM 1461 CD ARG A 869 22.951 -5.114 27.533 1.00 21.61 C ATOM 1462 NE ARG A 869 21.564 -4.839 27.268 1.00 23.34 N ATOM 1463 CZ ARG A 869 20.992 -3.642 27.481 1.00 26.94 C ATOM 1464 NH1 ARG A 869 21.680 -2.575 27.902 1.00 26.49 N ATOM 1465 NH2 ARG A 869 19.720 -3.486 27.211 1.00 29.83 N ATOM 0 H ARG A 869 24.103 -3.810 23.795 1.00 18.07 H new ATOM 0 HA ARG A 869 25.350 -5.945 24.535 1.00 20.42 H new ATOM 0 HB2 ARG A 869 22.647 -5.349 24.810 1.00 19.46 H new ATOM 0 HB3 ARG A 869 23.286 -6.627 25.437 1.00 19.46 H new ATOM 0 HG2 ARG A 869 24.775 -5.187 26.613 1.00 21.31 H new ATOM 0 HG3 ARG A 869 23.906 -3.990 26.118 1.00 21.31 H new ATOM 0 HD2 ARG A 869 23.031 -6.027 27.850 1.00 21.61 H new ATOM 0 HD3 ARG A 869 23.249 -4.537 28.254 1.00 21.61 H new ATOM 0 HE ARG A 869 21.075 -5.474 26.957 1.00 23.34 H new ATOM 0 HH11 ARG A 869 22.525 -2.638 28.048 1.00 26.49 H new ATOM 0 HH12 ARG A 869 21.277 -1.825 28.027 1.00 26.49 H new ATOM 0 HH21 ARG A 869 19.262 -4.145 26.902 1.00 29.83 H new ATOM 0 HH22 ARG A 869 19.343 -2.725 27.343 1.00 29.83 H new ATOM 1466 N ASN A 870 23.466 -6.484 21.986 1.00 19.15 N ATOM 1467 CA ASN A 870 23.208 -7.417 20.883 1.00 22.79 C ATOM 1468 C ASN A 870 24.422 -7.678 19.990 1.00 23.94 C ATOM 1469 O ASN A 870 24.847 -8.842 19.756 1.00 20.63 O ATOM 1470 CB ASN A 870 21.989 -6.927 20.060 1.00 22.47 C ATOM 1471 CG ASN A 870 21.709 -7.831 18.866 1.00 29.76 C ATOM 1472 OD1 ASN A 870 22.108 -7.541 17.751 1.00 35.08 O ATOM 1473 ND2 ASN A 870 21.194 -9.006 19.141 1.00 32.99 N ATOM 0 H ASN A 870 23.070 -5.725 21.904 1.00 19.15 H new ATOM 0 HA ASN A 870 23.006 -8.277 21.283 1.00 22.79 H new ATOM 0 HB2 ASN A 870 21.206 -6.894 20.631 1.00 22.47 H new ATOM 0 HB3 ASN A 870 22.151 -6.023 19.749 1.00 22.47 H new ATOM 0 HD21 ASN A 870 21.129 -9.602 18.524 1.00 32.99 H new ATOM 0 HD22 ASN A 870 20.921 -9.180 19.938 1.00 32.99 H new ATOM 1474 N ILE A 871 25.060 -6.611 19.526 1.00 19.73 N ATOM 1475 CA ILE A 871 26.092 -6.749 18.505 1.00 20.00 C ATOM 1476 C ILE A 871 27.345 -7.409 19.095 1.00 20.97 C ATOM 1477 O ILE A 871 28.065 -8.211 18.403 1.00 20.37 O ATOM 1478 CB ILE A 871 26.415 -5.334 17.945 1.00 21.23 C ATOM 1479 CG1 ILE A 871 25.206 -4.875 17.078 1.00 21.04 C ATOM 1480 CG2 ILE A 871 27.677 -5.330 17.123 1.00 21.49 C ATOM 1481 CD1 ILE A 871 25.220 -3.382 16.738 1.00 23.02 C ATOM 0 H ILE A 871 24.913 -5.804 19.786 1.00 19.73 H new ATOM 0 HA ILE A 871 25.778 -7.319 17.786 1.00 20.00 H new ATOM 0 HB ILE A 871 26.561 -4.724 18.685 1.00 21.23 H new ATOM 0 HG12 ILE A 871 25.198 -5.386 16.253 1.00 21.04 H new ATOM 0 HG13 ILE A 871 24.384 -5.083 17.549 1.00 21.04 H new ATOM 0 HG21 ILE A 871 27.845 -4.434 16.792 1.00 21.49 H new ATOM 0 HG22 ILE A 871 28.423 -5.616 17.673 1.00 21.49 H new ATOM 0 HG23 ILE A 871 27.577 -5.938 16.373 1.00 21.49 H new ATOM 0 HD11 ILE A 871 24.443 -3.165 16.199 1.00 23.02 H new ATOM 0 HD12 ILE A 871 25.200 -2.863 17.557 1.00 23.02 H new ATOM 0 HD13 ILE A 871 26.026 -3.170 16.242 1.00 23.02 H new ATOM 1482 N PHE A 872 27.646 -7.053 20.334 1.00 18.55 N ATOM 1483 CA PHE A 872 28.857 -7.602 20.956 1.00 20.49 C ATOM 1484 C PHE A 872 28.517 -8.802 21.847 1.00 21.30 C ATOM 1485 O PHE A 872 29.374 -9.240 22.602 1.00 20.95 O ATOM 1486 CB PHE A 872 29.630 -6.554 21.734 1.00 20.20 C ATOM 1487 CG PHE A 872 30.317 -5.578 20.872 1.00 20.63 C ATOM 1488 CD1 PHE A 872 31.561 -5.837 20.383 1.00 22.82 C ATOM 1489 CD2 PHE A 872 29.697 -4.442 20.508 1.00 19.94 C ATOM 1490 CE1 PHE A 872 32.201 -4.945 19.533 1.00 22.80 C ATOM 1491 CE2 PHE A 872 30.340 -3.508 19.685 1.00 24.69 C ATOM 1492 CZ PHE A 872 31.578 -3.750 19.214 1.00 23.14 C ATOM 0 H PHE A 872 27.186 -6.515 20.823 1.00 18.55 H new ATOM 0 HA PHE A 872 29.433 -7.904 20.237 1.00 20.49 H new ATOM 0 HB2 PHE A 872 29.020 -6.083 22.323 1.00 20.20 H new ATOM 0 HB3 PHE A 872 30.285 -6.996 22.297 1.00 20.20 H new ATOM 0 HD1 PHE A 872 31.990 -6.626 20.623 1.00 22.82 H new ATOM 0 HD2 PHE A 872 28.832 -4.274 20.806 1.00 19.94 H new ATOM 0 HE1 PHE A 872 33.038 -5.148 19.182 1.00 22.80 H new ATOM 0 HE2 PHE A 872 29.908 -2.715 19.462 1.00 24.69 H new ATOM 0 HZ PHE A 872 32.010 -3.122 18.681 1.00 23.14 H new ATOM 1493 N ALA A 873 27.279 -9.268 21.817 1.00 19.78 N ATOM 1494 CA ALA A 873 26.871 -10.521 22.520 1.00 21.62 C ATOM 1495 C ALA A 873 27.268 -10.491 24.022 1.00 21.08 C ATOM 1496 O ALA A 873 27.949 -11.406 24.602 1.00 22.18 O ATOM 1497 CB ALA A 873 27.525 -11.693 21.793 1.00 22.03 C ATOM 0 H ALA A 873 26.638 -8.881 21.394 1.00 19.78 H new ATOM 0 HA ALA A 873 25.906 -10.612 22.500 1.00 21.62 H new ATOM 0 HB1 ALA A 873 27.277 -12.523 22.229 1.00 22.03 H new ATOM 0 HB2 ALA A 873 27.225 -11.710 20.871 1.00 22.03 H new ATOM 0 HB3 ALA A 873 28.489 -11.591 21.817 1.00 22.03 H new ATOM 1498 N ILE A 874 26.800 -9.449 24.691 1.00 20.02 N ATOM 1499 CA ILE A 874 27.099 -9.242 26.047 1.00 21.77 C ATOM 1500 C ILE A 874 26.221 -10.257 26.802 1.00 23.40 C ATOM 1501 O ILE A 874 25.074 -10.470 26.461 1.00 22.83 O ATOM 1502 CB ILE A 874 26.785 -7.837 26.526 1.00 22.22 C ATOM 1503 CG1 ILE A 874 27.677 -6.850 25.847 1.00 23.86 C ATOM 1504 CG2 ILE A 874 26.886 -7.731 28.030 1.00 25.32 C ATOM 1505 CD1 ILE A 874 29.132 -6.988 26.113 1.00 27.33 C ATOM 0 H ILE A 874 26.294 -8.846 24.345 1.00 20.02 H new ATOM 0 HA ILE A 874 28.050 -9.357 26.201 1.00 21.77 H new ATOM 0 HB ILE A 874 25.867 -7.631 26.289 1.00 22.22 H new ATOM 0 HG12 ILE A 874 27.534 -6.918 24.890 1.00 23.86 H new ATOM 0 HG13 ILE A 874 27.402 -5.958 26.112 1.00 23.86 H new ATOM 0 HG21 ILE A 874 26.680 -6.824 28.305 1.00 25.32 H new ATOM 0 HG22 ILE A 874 26.256 -8.344 28.441 1.00 25.32 H new ATOM 0 HG23 ILE A 874 27.786 -7.957 28.311 1.00 25.32 H new ATOM 0 HD11 ILE A 874 29.616 -6.303 25.627 1.00 27.33 H new ATOM 0 HD12 ILE A 874 29.298 -6.888 27.063 1.00 27.33 H new ATOM 0 HD13 ILE A 874 29.433 -7.863 25.823 1.00 27.33 H new ATOM 1506 N GLN A 875 26.792 -10.893 27.813 1.00 23.61 N ATOM 1507 CA GLN A 875 26.073 -11.945 28.610 1.00 24.29 C ATOM 1508 C GLN A 875 24.815 -11.363 29.204 1.00 24.82 C ATOM 1509 O GLN A 875 24.881 -10.400 29.892 1.00 25.03 O ATOM 1510 CB GLN A 875 26.959 -12.524 29.753 1.00 26.47 C ATOM 1511 CG GLN A 875 26.259 -13.514 30.742 1.00 27.27 C ATOM 1512 CD GLN A 875 25.669 -14.746 30.060 1.00 28.55 C ATOM 1513 OE1 GLN A 875 26.319 -15.420 29.261 1.00 26.91 O ATOM 1514 NE2 GLN A 875 24.433 -15.017 30.329 1.00 26.83 N ATOM 0 H GLN A 875 27.598 -10.746 28.073 1.00 23.61 H new ATOM 0 HA GLN A 875 25.857 -12.670 28.003 1.00 24.29 H new ATOM 0 HB2 GLN A 875 27.715 -12.980 29.351 1.00 26.47 H new ATOM 0 HB3 GLN A 875 27.316 -11.782 30.267 1.00 26.47 H new ATOM 0 HG2 GLN A 875 26.902 -13.800 31.410 1.00 27.27 H new ATOM 0 HG3 GLN A 875 25.552 -13.044 31.212 1.00 27.27 H new ATOM 0 HE21 GLN A 875 23.999 -14.532 30.891 1.00 26.83 H new ATOM 0 HE22 GLN A 875 24.045 -15.682 29.946 1.00 26.83 H new ATOM 1515 N GLU A 876 23.687 -12.003 28.969 1.00 24.38 N ATOM 1516 CA GLU A 876 22.445 -11.534 29.553 1.00 28.11 C ATOM 1517 C GLU A 876 22.454 -11.631 31.075 1.00 30.70 C ATOM 1518 O GLU A 876 22.996 -12.608 31.646 1.00 28.77 O ATOM 1519 CB GLU A 876 21.286 -12.318 28.969 1.00 32.20 C ATOM 1520 CG GLU A 876 20.983 -11.909 27.510 1.00 40.26 C ATOM 1521 CD GLU A 876 20.061 -10.674 27.424 1.00 43.70 C ATOM 1522 OE1 GLU A 876 18.910 -10.738 27.914 1.00 47.85 O ATOM 1523 OE2 GLU A 876 20.483 -9.633 26.887 1.00 46.45 O ATOM 0 H GLU A 876 23.616 -12.706 28.478 1.00 24.38 H new ATOM 0 HA GLU A 876 22.343 -10.594 29.335 1.00 28.11 H new ATOM 0 HB2 GLU A 876 21.489 -13.266 29.002 1.00 32.20 H new ATOM 0 HB3 GLU A 876 20.496 -12.178 29.514 1.00 32.20 H new ATOM 0 HG2 GLU A 876 21.816 -11.720 27.050 1.00 40.26 H new ATOM 0 HG3 GLU A 876 20.566 -12.653 27.048 1.00 40.26 H new ATOM 1524 N THR A 877 21.946 -10.581 31.740 1.00 32.73 N ATOM 1525 CA THR A 877 21.748 -10.613 33.234 1.00 42.43 C ATOM 1526 C THR A 877 20.359 -10.183 33.691 1.00 53.26 C ATOM 1527 O THR A 877 19.610 -9.569 32.922 1.00 66.42 O ATOM 1528 CB THR A 877 22.764 -9.714 33.995 1.00 46.23 C ATOM 1529 OG1 THR A 877 22.798 -8.414 33.413 1.00 49.73 O ATOM 1530 CG2 THR A 877 24.149 -10.309 33.959 1.00 47.44 C ATOM 0 H THR A 877 21.708 -9.844 31.365 1.00 32.73 H new ATOM 0 HA THR A 877 21.883 -11.549 33.449 1.00 42.43 H new ATOM 0 HB THR A 877 22.474 -9.654 34.919 1.00 46.23 H new ATOM 0 HG1 THR A 877 23.347 -7.934 33.830 1.00 49.73 H new ATOM 0 HG21 THR A 877 24.762 -9.731 34.439 1.00 47.44 H new ATOM 0 HG22 THR A 877 24.136 -11.184 34.377 1.00 47.44 H new ATOM 0 HG23 THR A 877 24.441 -10.395 33.038 1.00 47.44 H new ATOM 1531 N SER A 878 20.031 -10.510 34.950 1.00 71.31 N ATOM 1532 CA SER A 878 18.968 -9.814 35.744 1.00 73.71 C ATOM 1533 C SER A 878 19.558 -8.597 36.424 1.00 70.44 C ATOM 1534 O SER A 878 19.334 -7.490 35.987 1.00 85.16 O ATOM 1535 CB SER A 878 18.402 -10.716 36.843 1.00 77.35 C ATOM 1536 OG SER A 878 19.452 -11.450 37.468 1.00 74.22 O ATOM 0 H SER A 878 20.416 -11.147 35.381 1.00 71.31 H new ATOM 0 HA SER A 878 18.261 -9.572 35.126 1.00 73.71 H new ATOM 0 HB2 SER A 878 17.936 -10.179 37.503 1.00 77.35 H new ATOM 0 HB3 SER A 878 17.751 -11.328 36.465 1.00 77.35 H new ATOM 0 HG SER A 878 19.132 -11.940 38.070 1.00 74.22 H new TER 1537 SER A 878 ATOM 1538 N GLU B 700 -6.623 40.818 40.536 1.00 61.10 N ATOM 1539 CA GLU B 700 -5.572 40.857 39.480 1.00 55.59 C ATOM 1540 C GLU B 700 -5.525 39.615 38.510 1.00 53.75 C ATOM 1541 O GLU B 700 -4.806 39.691 37.523 1.00 58.69 O ATOM 1542 CB GLU B 700 -4.191 41.128 40.108 1.00 49.36 C ATOM 0 HA GLU B 700 -5.827 41.593 38.902 1.00 55.59 H new ATOM 1543 N ASN B 701 -6.236 38.501 38.778 1.00 42.30 N ATOM 1544 CA ASN B 701 -6.405 37.438 37.762 1.00 41.37 C ATOM 1545 C ASN B 701 -7.855 37.127 37.367 1.00 44.23 C ATOM 1546 O ASN B 701 -8.741 37.231 38.189 1.00 43.64 O ATOM 1547 CB ASN B 701 -5.761 36.148 38.213 1.00 43.19 C ATOM 1548 CG ASN B 701 -4.250 36.212 38.149 1.00 46.99 C ATOM 1549 OD1 ASN B 701 -3.593 35.698 37.180 1.00 37.20 O ATOM 1550 ND2 ASN B 701 -3.671 36.793 39.188 1.00 41.47 N ATOM 0 H ASN B 701 -6.623 38.343 39.530 1.00 42.30 H new ATOM 0 HA ASN B 701 -5.968 37.803 36.977 1.00 41.37 H new ATOM 0 HB2 ASN B 701 -6.037 35.951 39.122 1.00 43.19 H new ATOM 0 HB3 ASN B 701 -6.076 35.419 37.656 1.00 43.19 H new ATOM 0 HD21 ASN B 701 -2.813 36.838 39.233 1.00 41.47 H new ATOM 0 HD22 ASN B 701 -4.153 37.126 39.818 1.00 41.47 H new ATOM 1551 N SER B 702 -8.083 36.744 36.108 1.00 34.53 N ATOM 1552 CA SER B 702 -9.388 36.277 35.629 1.00 32.49 C ATOM 1553 C SER B 702 -10.013 35.219 36.516 1.00 30.41 C ATOM 1554 O SER B 702 -9.315 34.383 37.071 1.00 27.69 O ATOM 1555 CB SER B 702 -9.241 35.695 34.217 1.00 33.58 C ATOM 1556 OG SER B 702 -10.526 35.340 33.694 1.00 31.27 O ATOM 0 H SER B 702 -7.475 36.748 35.500 1.00 34.53 H new ATOM 0 HA SER B 702 -9.973 37.051 35.638 1.00 32.49 H new ATOM 0 HB2 SER B 702 -8.815 36.344 33.635 1.00 33.58 H new ATOM 0 HB3 SER B 702 -8.666 34.914 34.240 1.00 33.58 H new ATOM 0 HG SER B 702 -10.436 35.024 32.921 1.00 31.27 H new ATOM 1557 N ASN B 703 -11.353 35.241 36.637 1.00 29.53 N ATOM 1558 CA ASN B 703 -12.086 34.119 37.293 1.00 31.33 C ATOM 1559 C ASN B 703 -12.599 33.077 36.318 1.00 27.45 C ATOM 1560 O ASN B 703 -13.446 32.255 36.634 1.00 25.93 O ATOM 1561 CB ASN B 703 -13.264 34.664 38.147 1.00 40.99 C ATOM 1562 CG ASN B 703 -14.241 35.508 37.324 1.00 50.62 C ATOM 1563 OD1 ASN B 703 -13.957 35.885 36.170 1.00 57.88 O ATOM 1564 ND2 ASN B 703 -15.386 35.882 37.946 1.00 61.66 N ATOM 0 H ASN B 703 -11.854 35.880 36.354 1.00 29.53 H new ATOM 0 HA ASN B 703 -11.439 33.675 37.863 1.00 31.33 H new ATOM 0 HB2 ASN B 703 -13.741 33.920 38.547 1.00 40.99 H new ATOM 0 HB3 ASN B 703 -12.912 35.200 38.875 1.00 40.99 H new ATOM 0 HD21 ASN B 703 -15.946 36.397 37.544 1.00 61.66 H new ATOM 0 HD22 ASN B 703 -15.553 35.605 38.743 1.00 61.66 H new ATOM 1565 N ILE B 704 -12.104 33.080 35.065 1.00 31.98 N ATOM 1566 CA ILE B 704 -12.451 31.987 34.153 1.00 28.42 C ATOM 1567 C ILE B 704 -11.160 31.530 33.414 1.00 23.61 C ATOM 1568 O ILE B 704 -10.264 32.306 33.225 1.00 25.43 O ATOM 1569 CB ILE B 704 -13.515 32.371 33.089 1.00 32.55 C ATOM 1570 CG1 ILE B 704 -13.095 33.566 32.289 1.00 34.31 C ATOM 1571 CG2 ILE B 704 -14.879 32.670 33.731 1.00 39.02 C ATOM 1572 CD1 ILE B 704 -14.041 33.847 31.143 1.00 36.89 C ATOM 0 H ILE B 704 -11.586 33.684 34.739 1.00 31.98 H new ATOM 0 HA ILE B 704 -12.836 31.281 34.696 1.00 28.42 H new ATOM 0 HB ILE B 704 -13.595 31.603 32.502 1.00 32.55 H new ATOM 0 HG12 ILE B 704 -13.052 34.343 32.869 1.00 34.31 H new ATOM 0 HG13 ILE B 704 -12.201 33.422 31.941 1.00 34.31 H new ATOM 0 HG21 ILE B 704 -15.518 32.906 33.040 1.00 39.02 H new ATOM 0 HG22 ILE B 704 -15.192 31.885 34.206 1.00 39.02 H new ATOM 0 HG23 ILE B 704 -14.789 33.409 34.353 1.00 39.02 H new ATOM 0 HD11 ILE B 704 -13.734 34.626 30.653 1.00 36.89 H new ATOM 0 HD12 ILE B 704 -14.067 33.081 30.549 1.00 36.89 H new ATOM 0 HD13 ILE B 704 -14.931 34.015 31.491 1.00 36.89 H new ATOM 1573 N CYS B 705 -11.161 30.261 33.064 1.00 25.15 N ATOM 1574 CA CYS B 705 -10.045 29.704 32.237 1.00 21.23 C ATOM 1575 C CYS B 705 -9.903 30.363 30.932 1.00 20.26 C ATOM 1576 O CYS B 705 -10.859 30.459 30.176 1.00 24.81 O ATOM 1577 CB CYS B 705 -10.317 28.255 32.054 1.00 20.03 C ATOM 1578 SG CYS B 705 -9.089 27.229 31.060 1.00 20.75 S ATOM 0 H CYS B 705 -11.773 29.696 33.277 1.00 25.15 H new ATOM 0 HA CYS B 705 -9.207 29.860 32.699 1.00 21.23 H new ATOM 0 HB2 CYS B 705 -10.391 27.855 32.935 1.00 20.03 H new ATOM 0 HB3 CYS B 705 -11.185 28.169 31.630 1.00 20.03 H new ATOM 1579 N GLU B 706 -8.678 30.715 30.583 1.00 21.93 N ATOM 1580 CA GLU B 706 -8.395 31.415 29.313 1.00 23.93 C ATOM 1581 C GLU B 706 -8.767 30.555 28.113 1.00 21.93 C ATOM 1582 O GLU B 706 -9.096 31.112 27.108 1.00 24.88 O ATOM 1583 CB GLU B 706 -6.918 31.669 29.210 1.00 23.81 C ATOM 1584 CG GLU B 706 -6.423 32.537 28.062 1.00 28.66 C ATOM 1585 CD GLU B 706 -6.688 34.026 28.300 1.00 32.11 C ATOM 1586 OE1 GLU B 706 -7.249 34.368 29.383 1.00 34.74 O ATOM 1587 OE2 GLU B 706 -6.274 34.814 27.429 1.00 32.16 O ATOM 0 H GLU B 706 -7.982 30.562 31.064 1.00 21.93 H new ATOM 0 HA GLU B 706 -8.912 32.236 29.310 1.00 23.93 H new ATOM 0 HB2 GLU B 706 -6.628 32.079 30.040 1.00 23.81 H new ATOM 0 HB3 GLU B 706 -6.472 30.810 29.147 1.00 23.81 H new ATOM 0 HG2 GLU B 706 -5.471 32.396 27.940 1.00 28.66 H new ATOM 0 HG3 GLU B 706 -6.858 32.261 27.240 1.00 28.66 H new ATOM 1588 N VAL B 707 -8.685 29.250 28.233 1.00 20.55 N ATOM 1589 CA VAL B 707 -8.874 28.345 27.087 1.00 19.80 C ATOM 1590 C VAL B 707 -10.340 28.001 26.871 1.00 22.04 C ATOM 1591 O VAL B 707 -10.867 28.202 25.767 1.00 21.68 O ATOM 1592 CB VAL B 707 -8.023 27.047 27.224 1.00 19.26 C ATOM 1593 CG1 VAL B 707 -8.192 26.131 25.995 1.00 21.35 C ATOM 1594 CG2 VAL B 707 -6.578 27.431 27.496 1.00 20.81 C ATOM 0 H VAL B 707 -8.519 28.849 28.975 1.00 20.55 H new ATOM 0 HA VAL B 707 -8.562 28.825 26.304 1.00 19.80 H new ATOM 0 HB VAL B 707 -8.338 26.523 27.977 1.00 19.26 H new ATOM 0 HG11 VAL B 707 -7.652 25.333 26.109 1.00 21.35 H new ATOM 0 HG12 VAL B 707 -9.124 25.879 25.905 1.00 21.35 H new ATOM 0 HG13 VAL B 707 -7.906 26.603 25.197 1.00 21.35 H new ATOM 0 HG21 VAL B 707 -6.040 26.628 27.583 1.00 20.81 H new ATOM 0 HG22 VAL B 707 -6.242 27.967 26.761 1.00 20.81 H new ATOM 0 HG23 VAL B 707 -6.528 27.943 28.318 1.00 20.81 H new ATOM 1595 N CYS B 708 -11.018 27.516 27.925 1.00 21.45 N ATOM 1596 CA CYS B 708 -12.384 27.010 27.747 1.00 22.94 C ATOM 1597 C CYS B 708 -13.446 27.970 28.302 1.00 26.01 C ATOM 1598 O CYS B 708 -14.611 27.642 28.188 1.00 25.14 O ATOM 1599 CB CYS B 708 -12.549 25.673 28.411 1.00 21.81 C ATOM 1600 SG CYS B 708 -12.513 25.679 30.260 1.00 22.44 S ATOM 0 H CYS B 708 -10.713 27.473 28.728 1.00 21.45 H new ATOM 0 HA CYS B 708 -12.518 26.927 26.790 1.00 22.94 H new ATOM 0 HB2 CYS B 708 -13.392 25.290 28.122 1.00 21.81 H new ATOM 0 HB3 CYS B 708 -11.847 25.085 28.093 1.00 21.81 H new ATOM 1601 N ASN B 709 -13.049 29.081 28.902 1.00 23.86 N ATOM 1602 CA ASN B 709 -13.961 30.100 29.451 1.00 25.88 C ATOM 1603 C ASN B 709 -14.880 29.616 30.554 1.00 29.35 C ATOM 1604 O ASN B 709 -15.893 30.293 30.815 1.00 35.19 O ATOM 1605 CB ASN B 709 -14.738 30.790 28.345 1.00 26.01 C ATOM 1606 CG ASN B 709 -13.825 31.297 27.275 1.00 32.68 C ATOM 1607 OD1 ASN B 709 -13.713 30.676 26.210 1.00 40.99 O ATOM 1608 ND2 ASN B 709 -13.076 32.333 27.579 1.00 34.09 N ATOM 0 H ASN B 709 -12.219 29.278 29.009 1.00 23.86 H new ATOM 0 HA ASN B 709 -13.381 30.746 29.884 1.00 25.88 H new ATOM 0 HB2 ASN B 709 -15.377 30.170 27.961 1.00 26.01 H new ATOM 0 HB3 ASN B 709 -15.246 31.528 28.716 1.00 26.01 H new ATOM 0 HD21 ASN B 709 -12.476 32.607 27.027 1.00 34.09 H new ATOM 0 HD22 ASN B 709 -13.186 32.737 28.330 1.00 34.09 H new ATOM 1609 N LYS B 710 -14.573 28.509 31.209 1.00 25.68 N ATOM 1610 CA LYS B 710 -15.353 28.052 32.371 1.00 25.24 C ATOM 1611 C LYS B 710 -14.646 28.366 33.720 1.00 29.88 C ATOM 1612 O LYS B 710 -13.441 28.591 33.824 1.00 28.17 O ATOM 1613 CB LYS B 710 -15.572 26.554 32.284 1.00 28.49 C ATOM 1614 CG LYS B 710 -16.275 26.107 31.016 1.00 33.56 C ATOM 1615 CD LYS B 710 -17.588 26.826 30.810 1.00 42.49 C ATOM 1616 CE LYS B 710 -18.399 26.118 29.719 1.00 54.60 C ATOM 1617 NZ LYS B 710 -19.785 26.672 29.561 1.00 59.83 N ATOM 0 H LYS B 710 -13.913 27.998 31.002 1.00 25.68 H new ATOM 0 HA LYS B 710 -16.197 28.530 32.350 1.00 25.24 H new ATOM 0 HB2 LYS B 710 -14.713 26.107 32.342 1.00 28.49 H new ATOM 0 HB3 LYS B 710 -16.093 26.267 33.050 1.00 28.49 H new ATOM 0 HG2 LYS B 710 -15.697 26.267 30.254 1.00 33.56 H new ATOM 0 HG3 LYS B 710 -16.434 25.151 31.056 1.00 33.56 H new ATOM 0 HD2 LYS B 710 -18.091 26.843 31.639 1.00 42.49 H new ATOM 0 HD3 LYS B 710 -17.426 27.748 30.557 1.00 42.49 H new ATOM 0 HE2 LYS B 710 -17.929 26.193 28.874 1.00 54.60 H new ATOM 0 HE3 LYS B 710 -18.457 25.173 29.929 1.00 54.60 H new ATOM 0 HZ1 LYS B 710 -20.211 26.228 28.918 1.00 59.83 H new ATOM 0 HZ2 LYS B 710 -20.230 26.583 30.327 1.00 59.83 H new ATOM 0 HZ3 LYS B 710 -19.738 27.534 29.344 1.00 59.83 H new ATOM 1618 N TRP B 711 -15.428 28.350 34.793 1.00 31.31 N ATOM 1619 CA TRP B 711 -14.971 28.745 36.116 1.00 32.94 C ATOM 1620 C TRP B 711 -14.451 27.501 36.774 1.00 28.80 C ATOM 1621 O TRP B 711 -14.650 26.371 36.311 1.00 27.82 O ATOM 1622 CB TRP B 711 -16.177 29.340 36.971 1.00 36.09 C ATOM 1623 CG TRP B 711 -16.905 28.288 37.761 1.00 44.71 C ATOM 1624 CD1 TRP B 711 -17.577 27.199 37.244 1.00 50.27 C ATOM 1625 CD2 TRP B 711 -17.004 28.183 39.210 1.00 46.84 C ATOM 1626 NE1 TRP B 711 -18.070 26.415 38.281 1.00 57.98 N ATOM 1627 CE2 TRP B 711 -17.737 26.984 39.491 1.00 55.22 C ATOM 1628 CE3 TRP B 711 -16.561 28.993 40.303 1.00 49.87 C ATOM 1629 CZ2 TRP B 711 -18.054 26.563 40.843 1.00 54.01 C ATOM 1630 CZ3 TRP B 711 -16.900 28.585 41.650 1.00 45.31 C ATOM 1631 CH2 TRP B 711 -17.616 27.369 41.894 1.00 46.25 C ATOM 0 H TRP B 711 -16.252 28.105 34.771 1.00 31.31 H new ATOM 0 HA TRP B 711 -14.288 29.431 36.054 1.00 32.94 H new ATOM 0 HB2 TRP B 711 -15.836 30.016 37.577 1.00 36.09 H new ATOM 0 HB3 TRP B 711 -16.802 29.783 36.376 1.00 36.09 H new ATOM 0 HD1 TRP B 711 -17.684 27.017 36.338 1.00 50.27 H new ATOM 0 HE1 TRP B 711 -18.515 25.686 38.182 1.00 57.98 H new ATOM 0 HE3 TRP B 711 -16.066 29.765 40.151 1.00 49.87 H new ATOM 0 HZ2 TRP B 711 -18.533 25.782 41.003 1.00 54.01 H new ATOM 0 HZ3 TRP B 711 -16.649 29.121 42.368 1.00 45.31 H new ATOM 0 HH2 TRP B 711 -17.792 27.112 42.770 1.00 46.25 H new ATOM 1632 N GLY B 712 -13.872 27.679 37.967 1.00 26.78 N ATOM 1633 CA GLY B 712 -13.589 26.551 38.807 1.00 27.34 C ATOM 1634 C GLY B 712 -12.245 25.882 38.655 1.00 28.74 C ATOM 1635 O GLY B 712 -11.774 25.681 37.544 1.00 27.80 O ATOM 0 H GLY B 712 -13.643 28.442 38.291 1.00 26.78 H new ATOM 0 HA2 GLY B 712 -13.677 26.837 39.730 1.00 27.34 H new ATOM 0 HA3 GLY B 712 -14.274 25.883 38.650 1.00 27.34 H new ATOM 1636 N ARG B 713 -11.623 25.564 39.782 1.00 28.46 N ATOM 1637 CA ARG B 713 -10.394 24.731 39.813 1.00 29.91 C ATOM 1638 C ARG B 713 -9.269 25.431 39.012 1.00 23.51 C ATOM 1639 O ARG B 713 -8.572 24.821 38.278 1.00 26.98 O ATOM 1640 CB ARG B 713 -10.755 23.351 39.298 1.00 31.07 C ATOM 1641 CG ARG B 713 -9.877 22.249 39.839 1.00 44.69 C ATOM 1642 CD ARG B 713 -10.276 20.827 39.448 1.00 49.46 C ATOM 1643 NE ARG B 713 -11.483 20.299 40.114 1.00 57.04 N ATOM 1644 CZ ARG B 713 -12.725 20.245 39.606 1.00 64.03 C ATOM 1645 NH1 ARG B 713 -13.709 19.710 40.336 1.00 57.44 N ATOM 1646 NH2 ARG B 713 -13.020 20.734 38.390 1.00 74.22 N ATOM 0 H ARG B 713 -11.891 25.819 40.559 1.00 28.46 H new ATOM 0 HA ARG B 713 -10.047 24.625 40.712 1.00 29.91 H new ATOM 0 HB2 ARG B 713 -11.678 23.160 39.529 1.00 31.07 H new ATOM 0 HB3 ARG B 713 -10.699 23.352 38.330 1.00 31.07 H new ATOM 0 HG2 ARG B 713 -8.968 22.406 39.538 1.00 44.69 H new ATOM 0 HG3 ARG B 713 -9.870 22.310 40.807 1.00 44.69 H new ATOM 0 HD2 ARG B 713 -10.417 20.800 38.489 1.00 49.46 H new ATOM 0 HD3 ARG B 713 -9.533 20.234 39.642 1.00 49.46 H new ATOM 0 HE ARG B 713 -11.380 19.994 40.911 1.00 57.04 H new ATOM 0 HH11 ARG B 713 -13.544 19.405 41.123 1.00 57.44 H new ATOM 0 HH12 ARG B 713 -14.507 19.671 40.019 1.00 57.44 H new ATOM 0 HH21 ARG B 713 -12.404 21.096 37.911 1.00 74.22 H new ATOM 0 HH22 ARG B 713 -13.825 20.685 38.091 1.00 74.22 H new ATOM 1647 N LEU B 714 -9.153 26.719 39.168 1.00 22.53 N ATOM 1648 CA LEU B 714 -8.241 27.518 38.408 1.00 20.51 C ATOM 1649 C LEU B 714 -6.856 27.748 39.029 1.00 26.14 C ATOM 1650 O LEU B 714 -6.687 27.879 40.246 1.00 24.08 O ATOM 1651 CB LEU B 714 -8.894 28.861 38.143 1.00 24.25 C ATOM 1652 CG LEU B 714 -10.125 28.838 37.277 1.00 25.05 C ATOM 1653 CD1 LEU B 714 -10.627 30.271 37.213 1.00 28.34 C ATOM 1654 CD2 LEU B 714 -9.872 28.264 35.840 1.00 23.06 C ATOM 0 H LEU B 714 -9.616 27.168 39.736 1.00 22.53 H new ATOM 0 HA LEU B 714 -8.065 27.011 37.600 1.00 20.51 H new ATOM 0 HB2 LEU B 714 -9.128 29.261 38.995 1.00 24.25 H new ATOM 0 HB3 LEU B 714 -8.239 29.443 37.727 1.00 24.25 H new ATOM 0 HG LEU B 714 -10.782 28.239 37.665 1.00 25.05 H new ATOM 0 HD11 LEU B 714 -11.425 30.310 36.663 1.00 28.34 H new ATOM 0 HD12 LEU B 714 -10.836 30.581 38.108 1.00 28.34 H new ATOM 0 HD13 LEU B 714 -9.941 30.838 36.828 1.00 28.34 H new ATOM 0 HD21 LEU B 714 -10.701 28.277 35.336 1.00 23.06 H new ATOM 0 HD22 LEU B 714 -9.209 28.808 35.386 1.00 23.06 H new ATOM 0 HD23 LEU B 714 -9.549 27.352 35.908 1.00 23.06 H new ATOM 1655 N PHE B 715 -5.843 27.816 38.162 1.00 26.00 N ATOM 1656 CA PHE B 715 -4.473 28.207 38.507 1.00 24.79 C ATOM 1657 C PHE B 715 -4.226 29.525 37.883 1.00 25.96 C ATOM 1658 O PHE B 715 -4.478 29.710 36.669 1.00 25.38 O ATOM 1659 CB PHE B 715 -3.500 27.186 37.965 1.00 25.69 C ATOM 1660 CG PHE B 715 -3.585 25.828 38.614 1.00 23.42 C ATOM 1661 CD1 PHE B 715 -4.480 24.886 38.166 1.00 26.30 C ATOM 1662 CD2 PHE B 715 -2.672 25.448 39.598 1.00 27.99 C ATOM 1663 CE1 PHE B 715 -4.558 23.645 38.742 1.00 28.29 C ATOM 1664 CE2 PHE B 715 -2.714 24.190 40.173 1.00 24.09 C ATOM 1665 CZ PHE B 715 -3.649 23.287 39.761 1.00 29.20 C ATOM 0 H PHE B 715 -5.938 27.629 37.328 1.00 26.00 H new ATOM 0 HA PHE B 715 -4.356 28.256 39.469 1.00 24.79 H new ATOM 0 HB2 PHE B 715 -3.653 27.086 37.012 1.00 25.69 H new ATOM 0 HB3 PHE B 715 -2.598 27.527 38.074 1.00 25.69 H new ATOM 0 HD1 PHE B 715 -5.044 25.095 37.457 1.00 26.30 H new ATOM 0 HD2 PHE B 715 -2.021 26.053 39.873 1.00 27.99 H new ATOM 0 HE1 PHE B 715 -5.207 23.041 38.463 1.00 28.29 H new ATOM 0 HE2 PHE B 715 -2.106 23.961 40.839 1.00 24.09 H new ATOM 0 HZ PHE B 715 -3.688 22.442 40.148 1.00 29.20 H new ATOM 1666 N CYS B 716 -3.741 30.480 38.675 1.00 25.82 N ATOM 1667 CA ACYS B 716 -3.485 31.811 38.166 0.64 28.42 C ATOM 1668 CA BCYS B 716 -3.466 31.834 38.208 0.36 27.90 C ATOM 1669 C CYS B 716 -2.021 31.962 37.783 1.00 26.57 C ATOM 1670 O CYS B 716 -1.127 31.447 38.465 1.00 32.50 O ATOM 1671 CB ACYS B 716 -3.947 32.875 39.182 0.64 35.31 C ATOM 1672 CB BCYS B 716 -3.735 32.854 39.324 0.36 32.08 C ATOM 1673 SG ACYS B 716 -5.666 32.626 39.726 0.64 39.61 S ATOM 1674 SG BCYS B 716 -2.498 32.837 40.651 0.36 34.61 S ATOM 0 H ACYS B 716 -3.556 30.371 39.508 0.64 25.82 H new ATOM 0 H BCYS B 716 -3.561 30.357 39.507 0.36 25.82 H new ATOM 0 HA ACYS B 716 -4.003 31.950 37.358 0.64 27.90 H new ATOM 0 HA BCYS B 716 -4.049 32.011 37.454 0.36 27.90 H new ATOM 0 HB2ACYS B 716 -3.361 32.855 39.955 0.64 32.08 H new ATOM 0 HB2BCYS B 716 -3.768 33.743 38.936 0.36 32.08 H new ATOM 0 HB3ACYS B 716 -3.862 33.755 38.784 0.64 32.08 H new ATOM 0 HB3BCYS B 716 -4.609 32.678 39.707 0.36 32.08 H new ATOM 0 HG ACYS B 716 -6.405 32.752 38.789 0.64 34.61 H new ATOM 0 HG BCYS B 716 -1.507 32.279 40.268 0.36 34.61 H new ATOM 1675 N CYS B 717 -1.783 32.687 36.699 1.00 24.54 N ATOM 1676 CA CYS B 717 -0.441 33.007 36.305 1.00 25.29 C ATOM 1677 C CYS B 717 0.097 34.129 37.266 1.00 30.90 C ATOM 1678 O CYS B 717 -0.657 35.074 37.607 1.00 31.50 O ATOM 1679 CB CYS B 717 -0.414 33.492 34.861 1.00 26.44 C ATOM 1680 SG CYS B 717 1.235 34.027 34.218 1.00 26.74 S ATOM 0 H CYS B 717 -2.394 33.000 36.182 1.00 24.54 H new ATOM 0 HA CYS B 717 0.120 32.218 36.365 1.00 25.29 H new ATOM 0 HB2 CYS B 717 -0.748 32.780 34.293 1.00 26.44 H new ATOM 0 HB3 CYS B 717 -1.031 34.235 34.776 1.00 26.44 H new ATOM 1681 N ASP B 718 1.373 34.055 37.655 1.00 29.79 N ATOM 1682 CA ASP B 718 1.961 35.103 38.510 1.00 33.98 C ATOM 1683 C ASP B 718 2.462 36.296 37.756 1.00 37.36 C ATOM 1684 O ASP B 718 2.799 37.289 38.384 1.00 39.62 O ATOM 1685 CB ASP B 718 3.052 34.496 39.394 1.00 39.09 C ATOM 1686 CG ASP B 718 2.459 33.518 40.404 1.00 47.89 C ATOM 1687 OD1 ASP B 718 1.506 33.969 41.066 1.00 49.84 O ATOM 1688 OD2 ASP B 718 2.866 32.323 40.530 1.00 47.82 O ATOM 0 H ASP B 718 1.911 33.419 37.441 1.00 29.79 H new ATOM 0 HA ASP B 718 1.245 35.446 39.067 1.00 33.98 H new ATOM 0 HB2 ASP B 718 3.704 34.038 38.840 1.00 39.09 H new ATOM 0 HB3 ASP B 718 3.524 35.203 39.862 1.00 39.09 H new ATOM 1689 N THR B 719 2.485 36.270 36.425 1.00 32.32 N ATOM 1690 CA THR B 719 3.050 37.400 35.670 1.00 30.79 C ATOM 1691 C THR B 719 2.117 38.059 34.720 1.00 32.34 C ATOM 1692 O THR B 719 2.495 38.996 34.045 1.00 32.54 O ATOM 1693 CB THR B 719 4.375 36.954 34.972 1.00 36.02 C ATOM 1694 OG1 THR B 719 4.223 35.656 34.365 1.00 30.38 O ATOM 1695 CG2 THR B 719 5.487 36.800 36.000 1.00 35.66 C ATOM 0 H THR B 719 2.186 35.623 35.943 1.00 32.32 H new ATOM 0 HA THR B 719 3.237 38.094 36.322 1.00 30.79 H new ATOM 0 HB THR B 719 4.586 37.631 34.310 1.00 36.02 H new ATOM 0 HG1 THR B 719 3.858 35.739 33.613 1.00 30.38 H new ATOM 0 HG21 THR B 719 6.303 36.523 35.555 1.00 35.66 H new ATOM 0 HG22 THR B 719 5.635 37.648 36.447 1.00 35.66 H new ATOM 0 HG23 THR B 719 5.233 36.130 36.654 1.00 35.66 H new ATOM 1696 N CYS B 720 0.889 37.527 34.595 1.00 34.14 N ATOM 1697 CA CYS B 720 -0.169 38.170 33.831 1.00 30.58 C ATOM 1698 C CYS B 720 -1.538 37.827 34.458 1.00 31.18 C ATOM 1699 O CYS B 720 -1.613 36.986 35.353 1.00 27.80 O ATOM 1700 CB CYS B 720 -0.071 37.741 32.356 1.00 32.09 C ATOM 1701 SG CYS B 720 -0.857 36.094 31.986 1.00 26.80 S ATOM 0 H CYS B 720 0.656 36.782 34.955 1.00 34.14 H new ATOM 0 HA CYS B 720 -0.071 39.135 33.859 1.00 30.58 H new ATOM 0 HB2 CYS B 720 -0.490 38.419 31.804 1.00 32.09 H new ATOM 0 HB3 CYS B 720 0.864 37.706 32.101 1.00 32.09 H new ATOM 1702 N PRO B 721 -2.635 38.456 33.983 1.00 29.11 N ATOM 1703 CA PRO B 721 -3.911 38.206 34.646 1.00 34.11 C ATOM 1704 C PRO B 721 -4.657 36.886 34.267 1.00 32.24 C ATOM 1705 O PRO B 721 -5.731 36.614 34.777 1.00 30.38 O ATOM 1706 CB PRO B 721 -4.765 39.408 34.238 1.00 37.46 C ATOM 1707 CG PRO B 721 -4.111 40.007 33.030 1.00 41.59 C ATOM 1708 CD PRO B 721 -2.750 39.418 32.865 1.00 36.42 C ATOM 0 HA PRO B 721 -3.752 38.095 35.596 1.00 34.11 H new ATOM 0 HB2 PRO B 721 -5.674 39.133 34.038 1.00 37.46 H new ATOM 0 HB3 PRO B 721 -4.816 40.055 34.959 1.00 37.46 H new ATOM 0 HG2 PRO B 721 -4.647 39.835 32.240 1.00 41.59 H new ATOM 0 HG3 PRO B 721 -4.049 40.970 33.127 1.00 41.59 H new ATOM 0 HD2 PRO B 721 -2.656 38.977 32.006 1.00 36.42 H new ATOM 0 HD3 PRO B 721 -2.061 40.099 32.911 1.00 36.42 H new ATOM 1709 N ARG B 722 -4.080 36.064 33.398 1.00 27.39 N ATOM 1710 CA ARG B 722 -4.752 34.844 32.919 1.00 25.24 C ATOM 1711 C ARG B 722 -4.827 33.773 33.979 1.00 24.95 C ATOM 1712 O ARG B 722 -4.019 33.713 34.910 1.00 26.75 O ATOM 1713 CB ARG B 722 -4.024 34.316 31.674 1.00 24.90 C ATOM 1714 CG ARG B 722 -4.061 35.258 30.541 1.00 24.69 C ATOM 1715 CD ARG B 722 -3.263 34.698 29.391 1.00 23.30 C ATOM 1716 NE ARG B 722 -3.343 35.485 28.206 1.00 25.36 N ATOM 1717 CZ ARG B 722 -2.474 36.460 27.945 1.00 27.47 C ATOM 1718 NH1 ARG B 722 -1.468 36.722 28.747 1.00 28.01 N ATOM 1719 NH2 ARG B 722 -2.572 37.133 26.834 1.00 28.19 N ATOM 0 H ARG B 722 -3.296 36.189 33.068 1.00 27.39 H new ATOM 0 HA ARG B 722 -5.666 35.078 32.694 1.00 25.24 H new ATOM 0 HB2 ARG B 722 -3.100 34.128 31.901 1.00 24.90 H new ATOM 0 HB3 ARG B 722 -4.426 33.476 31.403 1.00 24.90 H new ATOM 0 HG2 ARG B 722 -4.978 35.411 30.266 1.00 24.69 H new ATOM 0 HG3 ARG B 722 -3.699 36.116 30.810 1.00 24.69 H new ATOM 0 HD2 ARG B 722 -2.334 34.623 29.658 1.00 23.30 H new ATOM 0 HD3 ARG B 722 -3.576 33.801 29.196 1.00 23.30 H new ATOM 0 HE ARG B 722 -3.972 35.325 27.642 1.00 25.36 H new ATOM 0 HH11 ARG B 722 -1.357 36.259 29.463 1.00 28.01 H new ATOM 0 HH12 ARG B 722 -0.920 37.357 28.556 1.00 28.01 H new ATOM 0 HH21 ARG B 722 -3.196 36.947 26.272 1.00 28.19 H new ATOM 0 HH22 ARG B 722 -2.013 37.763 26.662 1.00 28.19 H new ATOM 1720 N SER B 723 -5.841 32.923 33.872 1.00 21.04 N ATOM 1721 CA SER B 723 -6.026 31.804 34.741 1.00 22.15 C ATOM 1722 C SER B 723 -6.322 30.578 33.853 1.00 23.12 C ATOM 1723 O SER B 723 -6.779 30.775 32.710 1.00 21.87 O ATOM 1724 CB SER B 723 -7.202 32.052 35.750 1.00 28.53 C ATOM 1725 OG SER B 723 -6.870 33.134 36.648 1.00 30.25 O ATOM 0 H SER B 723 -6.451 32.995 33.270 1.00 21.04 H new ATOM 0 HA SER B 723 -5.228 31.660 35.273 1.00 22.15 H new ATOM 0 HB2 SER B 723 -8.014 32.264 35.264 1.00 28.53 H new ATOM 0 HB3 SER B 723 -7.377 31.244 36.257 1.00 28.53 H new ATOM 0 HG SER B 723 -7.566 33.563 36.840 1.00 30.25 H new ATOM 1726 N PHE B 724 -6.051 29.371 34.355 1.00 20.66 N ATOM 1727 CA PHE B 724 -6.177 28.097 33.598 1.00 20.25 C ATOM 1728 C PHE B 724 -6.596 26.971 34.396 1.00 20.20 C ATOM 1729 O PHE B 724 -6.169 26.835 35.542 1.00 21.69 O ATOM 1730 CB PHE B 724 -4.796 27.706 32.955 1.00 19.19 C ATOM 1731 CG PHE B 724 -4.240 28.758 32.073 1.00 18.41 C ATOM 1732 CD1 PHE B 724 -3.373 29.804 32.564 1.00 18.59 C ATOM 1733 CD2 PHE B 724 -4.473 28.707 30.677 1.00 20.56 C ATOM 1734 CE1 PHE B 724 -2.928 30.817 31.707 1.00 17.64 C ATOM 1735 CE2 PHE B 724 -3.963 29.674 29.824 1.00 18.80 C ATOM 1736 CZ PHE B 724 -3.181 30.710 30.327 1.00 20.63 C ATOM 0 H PHE B 724 -5.782 29.257 35.164 1.00 20.66 H new ATOM 0 HA PHE B 724 -6.861 28.273 32.933 1.00 20.25 H new ATOM 0 HB2 PHE B 724 -4.160 27.516 33.662 1.00 19.19 H new ATOM 0 HB3 PHE B 724 -4.904 26.889 32.444 1.00 19.19 H new ATOM 0 HD1 PHE B 724 -3.109 29.804 33.456 1.00 18.59 H new ATOM 0 HD2 PHE B 724 -4.979 28.010 30.325 1.00 20.56 H new ATOM 0 HE1 PHE B 724 -2.470 31.552 32.046 1.00 17.64 H new ATOM 0 HE2 PHE B 724 -4.144 29.630 28.913 1.00 18.80 H new ATOM 0 HZ PHE B 724 -2.821 31.339 29.744 1.00 20.63 H new ATOM 1737 N HIS B 725 -7.401 26.057 33.808 1.00 19.52 N ATOM 1738 CA HIS B 725 -7.470 24.716 34.285 1.00 18.96 C ATOM 1739 C HIS B 725 -6.149 23.949 34.122 1.00 22.16 C ATOM 1740 O HIS B 725 -5.382 24.160 33.135 1.00 20.13 O ATOM 1741 CB HIS B 725 -8.614 23.934 33.655 1.00 21.47 C ATOM 1742 CG HIS B 725 -9.953 24.514 33.975 1.00 23.04 C ATOM 1743 ND1 HIS B 725 -10.832 24.978 33.032 1.00 24.91 N ATOM 1744 CD2 HIS B 725 -10.548 24.742 35.185 1.00 21.62 C ATOM 1745 CE1 HIS B 725 -11.914 25.447 33.619 1.00 27.61 C ATOM 1746 NE2 HIS B 725 -11.748 25.330 34.933 1.00 24.19 N ATOM 0 H HIS B 725 -7.905 26.222 33.131 1.00 19.52 H new ATOM 0 HA HIS B 725 -7.644 24.796 35.236 1.00 18.96 H new ATOM 0 HB2 HIS B 725 -8.496 23.914 32.692 1.00 21.47 H new ATOM 0 HB3 HIS B 725 -8.581 23.015 33.964 1.00 21.47 H new ATOM 0 HD2 HIS B 725 -10.198 24.534 36.021 1.00 21.62 H new ATOM 0 HE1 HIS B 725 -12.661 25.798 33.190 1.00 27.61 H new ATOM 0 HE2 HIS B 725 -12.311 25.586 35.530 1.00 24.19 H new ATOM 1747 N GLU B 726 -5.936 23.006 35.020 1.00 21.88 N ATOM 1748 CA GLU B 726 -4.679 22.210 34.990 1.00 24.25 C ATOM 1749 C GLU B 726 -4.346 21.659 33.579 1.00 23.62 C ATOM 1750 O GLU B 726 -3.205 21.824 33.091 1.00 24.88 O ATOM 1751 CB GLU B 726 -4.767 21.010 35.939 1.00 26.88 C ATOM 1752 CG GLU B 726 -3.446 20.314 36.126 1.00 29.21 C ATOM 1753 CD GLU B 726 -3.462 19.285 37.274 1.00 38.77 C ATOM 1754 OE1 GLU B 726 -4.450 19.212 38.044 1.00 36.80 O ATOM 1755 OE2 GLU B 726 -2.468 18.541 37.392 1.00 39.48 O ATOM 0 H GLU B 726 -6.483 22.799 35.651 1.00 21.88 H new ATOM 0 HA GLU B 726 -3.980 22.824 35.265 1.00 24.25 H new ATOM 0 HB2 GLU B 726 -5.095 21.309 36.802 1.00 26.88 H new ATOM 0 HB3 GLU B 726 -5.415 20.377 35.593 1.00 26.88 H new ATOM 0 HG2 GLU B 726 -3.203 19.866 35.301 1.00 29.21 H new ATOM 0 HG3 GLU B 726 -2.760 20.976 36.302 1.00 29.21 H new ATOM 1756 N HIS B 727 -5.307 20.992 32.960 1.00 22.99 N ATOM 1757 CA HIS B 727 -5.136 20.374 31.668 1.00 25.09 C ATOM 1758 C HIS B 727 -5.691 21.141 30.482 1.00 21.74 C ATOM 1759 O HIS B 727 -5.653 20.634 29.326 1.00 22.34 O ATOM 1760 CB HIS B 727 -5.720 18.967 31.731 1.00 27.11 C ATOM 1761 CG HIS B 727 -5.133 18.146 32.840 1.00 33.19 C ATOM 1762 ND1 HIS B 727 -3.810 17.738 32.858 1.00 36.69 N ATOM 1763 CD2 HIS B 727 -5.697 17.629 33.953 1.00 34.22 C ATOM 1764 CE1 HIS B 727 -3.582 17.029 33.954 1.00 37.40 C ATOM 1765 NE2 HIS B 727 -4.715 16.941 34.631 1.00 36.93 N ATOM 0 H HIS B 727 -6.094 20.886 33.291 1.00 22.99 H new ATOM 0 HA HIS B 727 -4.181 20.362 31.497 1.00 25.09 H new ATOM 0 HB2 HIS B 727 -6.681 19.025 31.850 1.00 27.11 H new ATOM 0 HB3 HIS B 727 -5.565 18.519 30.885 1.00 27.11 H new ATOM 0 HD2 HIS B 727 -6.585 17.721 34.214 1.00 34.22 H new ATOM 0 HE1 HIS B 727 -2.767 16.658 34.204 1.00 37.40 H new ATOM 0 HE2 HIS B 727 -4.821 16.522 35.374 1.00 36.93 H new ATOM 1766 N CYS B 728 -6.100 22.386 30.706 1.00 20.20 N ATOM 1767 CA CYS B 728 -6.410 23.299 29.621 1.00 19.90 C ATOM 1768 C CYS B 728 -5.119 23.975 29.193 1.00 19.42 C ATOM 1769 O CYS B 728 -4.901 24.211 27.997 1.00 18.83 O ATOM 1770 CB CYS B 728 -7.484 24.369 29.951 1.00 21.63 C ATOM 1771 SG CYS B 728 -9.166 23.690 29.919 1.00 21.93 S ATOM 0 H CYS B 728 -6.204 22.721 31.491 1.00 20.20 H new ATOM 0 HA CYS B 728 -6.800 22.768 28.909 1.00 19.90 H new ATOM 0 HB2 CYS B 728 -7.305 24.744 30.828 1.00 21.63 H new ATOM 0 HB3 CYS B 728 -7.419 25.097 29.313 1.00 21.63 H new ATOM 1772 N HIS B 729 -4.257 24.256 30.164 1.00 18.27 N ATOM 1773 CA HIS B 729 -2.975 24.825 29.817 1.00 18.19 C ATOM 1774 C HIS B 729 -2.173 23.707 29.133 1.00 18.90 C ATOM 1775 O HIS B 729 -2.363 22.542 29.466 1.00 20.03 O ATOM 1776 CB HIS B 729 -2.233 25.298 31.080 1.00 19.05 C ATOM 1777 CG HIS B 729 -1.057 26.193 30.797 1.00 18.32 C ATOM 1778 ND1 HIS B 729 0.234 25.714 30.678 1.00 19.24 N ATOM 1779 CD2 HIS B 729 -0.972 27.521 30.626 1.00 19.83 C ATOM 1780 CE1 HIS B 729 1.071 26.715 30.489 1.00 20.76 C ATOM 1781 NE2 HIS B 729 0.363 27.818 30.414 1.00 20.32 N ATOM 0 H HIS B 729 -4.394 24.128 31.003 1.00 18.27 H new ATOM 0 HA HIS B 729 -3.085 25.594 29.236 1.00 18.19 H new ATOM 0 HB2 HIS B 729 -2.857 25.770 31.653 1.00 19.05 H new ATOM 0 HB3 HIS B 729 -1.926 24.522 31.574 1.00 19.05 H new ATOM 0 HD1 HIS B 729 0.458 24.885 30.721 1.00 19.24 H new ATOM 0 HD2 HIS B 729 -1.677 28.127 30.646 1.00 19.83 H new ATOM 0 HE1 HIS B 729 1.996 26.651 30.421 1.00 20.76 H new ATOM 1782 N ILE B 730 -1.265 24.107 28.241 1.00 19.30 N ATOM 1783 CA ILE B 730 -0.328 23.185 27.553 1.00 19.20 C ATOM 1784 C ILE B 730 1.060 23.795 27.686 1.00 21.12 C ATOM 1785 O ILE B 730 1.248 24.974 27.361 1.00 21.99 O ATOM 1786 CB ILE B 730 -0.704 22.960 26.056 1.00 18.26 C ATOM 1787 CG1 ILE B 730 -2.148 22.604 25.907 1.00 19.95 C ATOM 1788 CG2 ILE B 730 0.130 21.801 25.464 1.00 21.18 C ATOM 1789 CD1 ILE B 730 -2.616 22.387 24.458 1.00 19.54 C ATOM 0 H ILE B 730 -1.168 24.930 28.010 1.00 19.30 H new ATOM 0 HA ILE B 730 -0.367 22.306 27.962 1.00 19.20 H new ATOM 0 HB ILE B 730 -0.522 23.789 25.587 1.00 18.26 H new ATOM 0 HG12 ILE B 730 -2.322 21.795 26.414 1.00 19.95 H new ATOM 0 HG13 ILE B 730 -2.684 23.308 26.304 1.00 19.95 H new ATOM 0 HG21 ILE B 730 -0.112 21.670 24.534 1.00 21.18 H new ATOM 0 HG22 ILE B 730 1.074 22.017 25.525 1.00 21.18 H new ATOM 0 HG23 ILE B 730 -0.048 20.987 25.961 1.00 21.18 H new ATOM 0 HD11 ILE B 730 -3.559 22.161 24.453 1.00 19.54 H new ATOM 0 HD12 ILE B 730 -2.476 23.200 23.947 1.00 19.54 H new ATOM 0 HD13 ILE B 730 -2.108 21.663 24.059 1.00 19.54 H new ATOM 1790 N PRO B 731 2.033 23.013 28.188 1.00 21.95 N ATOM 1791 CA PRO B 731 1.837 21.748 28.924 1.00 23.00 C ATOM 1792 C PRO B 731 1.015 21.924 30.207 1.00 24.59 C ATOM 1793 O PRO B 731 0.781 23.062 30.619 1.00 25.35 O ATOM 1794 CB PRO B 731 3.254 21.325 29.311 1.00 27.08 C ATOM 1795 CG PRO B 731 4.145 22.493 28.983 1.00 28.05 C ATOM 1796 CD PRO B 731 3.376 23.605 28.364 1.00 24.79 C ATOM 0 HA PRO B 731 1.354 21.107 28.379 1.00 23.00 H new ATOM 0 HB2 PRO B 731 3.304 21.105 30.254 1.00 27.08 H new ATOM 0 HB3 PRO B 731 3.526 20.534 28.820 1.00 27.08 H new ATOM 0 HG2 PRO B 731 4.579 22.808 29.791 1.00 28.05 H new ATOM 0 HG3 PRO B 731 4.847 22.207 28.378 1.00 28.05 H new ATOM 0 HD2 PRO B 731 3.352 24.388 28.935 1.00 24.79 H new ATOM 0 HD3 PRO B 731 3.761 23.882 27.518 1.00 24.79 H new ATOM 1797 N SER B 732 0.533 20.820 30.746 1.00 22.29 N ATOM 1798 CA SER B 732 -0.269 20.858 31.978 1.00 25.27 C ATOM 1799 C SER B 732 0.406 21.693 33.077 1.00 30.31 C ATOM 1800 O SER B 732 1.641 21.825 33.172 1.00 27.46 O ATOM 1801 CB SER B 732 -0.471 19.493 32.495 1.00 30.13 C ATOM 1802 OG SER B 732 -1.337 18.825 31.643 1.00 37.48 O ATOM 0 H SER B 732 0.653 20.033 30.422 1.00 22.29 H new ATOM 0 HA SER B 732 -1.118 21.267 31.749 1.00 25.27 H new ATOM 0 HB2 SER B 732 0.376 19.024 32.550 1.00 30.13 H new ATOM 0 HB3 SER B 732 -0.837 19.523 33.393 1.00 30.13 H new ATOM 0 HG SER B 732 -2.010 18.566 32.074 1.00 37.48 H new ATOM 1803 N VAL B 733 -0.405 22.376 33.855 1.00 27.05 N ATOM 1804 CA VAL B 733 0.145 23.291 34.872 1.00 28.00 C ATOM 1805 C VAL B 733 1.016 22.474 35.842 1.00 29.43 C ATOM 1806 O VAL B 733 0.633 21.376 36.187 1.00 27.93 O ATOM 1807 CB VAL B 733 -0.975 23.991 35.658 1.00 24.86 C ATOM 1808 CG1 VAL B 733 -0.420 24.813 36.825 1.00 27.09 C ATOM 1809 CG2 VAL B 733 -1.812 24.918 34.755 1.00 23.26 C ATOM 0 H VAL B 733 -1.264 22.337 33.824 1.00 27.05 H new ATOM 0 HA VAL B 733 0.671 23.975 34.428 1.00 28.00 H new ATOM 0 HB VAL B 733 -1.542 23.285 36.005 1.00 24.86 H new ATOM 0 HG11 VAL B 733 -1.152 25.240 37.298 1.00 27.09 H new ATOM 0 HG12 VAL B 733 0.060 24.229 37.433 1.00 27.09 H new ATOM 0 HG13 VAL B 733 0.184 25.492 36.485 1.00 27.09 H new ATOM 0 HG21 VAL B 733 -2.507 25.342 35.282 1.00 23.26 H new ATOM 0 HG22 VAL B 733 -1.238 25.599 34.370 1.00 23.26 H new ATOM 0 HG23 VAL B 733 -2.218 24.397 34.044 1.00 23.26 H new ATOM 1810 N GLU B 734 2.213 23.004 36.194 1.00 33.60 N ATOM 1811 CA GLU B 734 3.078 22.461 37.295 1.00 40.44 C ATOM 1812 C GLU B 734 2.474 23.003 38.594 1.00 38.78 C ATOM 1813 O GLU B 734 2.689 24.176 38.995 1.00 39.21 O ATOM 1814 CB GLU B 734 4.526 22.910 37.193 1.00 46.23 C ATOM 1815 CG GLU B 734 5.211 22.460 35.921 1.00 55.76 C ATOM 1816 CD GLU B 734 5.059 23.430 34.780 1.00 67.81 C ATOM 1817 OE1 GLU B 734 4.979 24.652 35.042 1.00 86.36 O ATOM 1818 OE2 GLU B 734 5.019 22.970 33.611 1.00 87.60 O ATOM 0 H GLU B 734 2.551 23.691 35.802 1.00 33.60 H new ATOM 0 HA GLU B 734 3.095 21.492 37.249 1.00 40.44 H new ATOM 0 HB2 GLU B 734 4.561 23.878 37.245 1.00 46.23 H new ATOM 0 HB3 GLU B 734 5.018 22.567 37.955 1.00 46.23 H new ATOM 0 HG2 GLU B 734 6.155 22.328 36.100 1.00 55.76 H new ATOM 0 HG3 GLU B 734 4.850 21.600 35.655 1.00 55.76 H new ATOM 1819 N ALA B 735 1.646 22.170 39.184 1.00 38.12 N ATOM 1820 CA ALA B 735 0.876 22.500 40.390 1.00 44.37 C ATOM 1821 C ALA B 735 1.766 22.805 41.618 1.00 55.78 C ATOM 1822 O ALA B 735 1.416 23.650 42.478 1.00 58.29 O ATOM 1823 CB ALA B 735 -0.098 21.351 40.702 1.00 47.59 C ATOM 0 H ALA B 735 1.504 21.372 38.896 1.00 38.12 H new ATOM 0 HA ALA B 735 0.385 23.316 40.205 1.00 44.37 H new ATOM 0 HB1 ALA B 735 -0.608 21.566 41.498 1.00 47.59 H new ATOM 0 HB2 ALA B 735 -0.703 21.228 39.954 1.00 47.59 H new ATOM 0 HB3 ALA B 735 0.403 20.533 40.850 1.00 47.59 H new ATOM 1824 N ASN B 736 2.890 22.090 41.677 1.00 52.21 N ATOM 1825 CA ASN B 736 3.980 22.300 42.638 1.00 63.80 C ATOM 1826 C ASN B 736 4.734 23.656 42.589 1.00 68.93 C ATOM 1827 O ASN B 736 5.431 23.968 43.552 1.00 69.02 O ATOM 1828 CB ASN B 736 5.042 21.230 42.358 1.00 70.13 C ATOM 1829 CG ASN B 736 5.616 21.367 40.935 1.00 76.77 C ATOM 1830 OD1 ASN B 736 4.924 21.076 39.941 1.00 78.77 O ATOM 1831 ND2 ASN B 736 6.838 21.899 40.829 1.00 81.78 N ATOM 0 H ASN B 736 3.047 21.441 41.135 1.00 52.21 H new ATOM 0 HA ASN B 736 3.545 22.267 43.504 1.00 63.80 H new ATOM 0 HB2 ASN B 736 5.759 21.306 43.007 1.00 70.13 H new ATOM 0 HB3 ASN B 736 4.652 20.349 42.468 1.00 70.13 H new ATOM 0 HD21 ASN B 736 7.174 22.053 40.052 1.00 81.78 H new ATOM 0 HD22 ASN B 736 7.288 22.088 41.537 1.00 81.78 H new ATOM 1832 N LYS B 737 4.658 24.416 41.477 1.00 69.66 N ATOM 1833 CA LYS B 737 5.546 25.593 41.239 1.00 69.47 C ATOM 1834 C LYS B 737 4.967 26.902 41.727 1.00 66.78 C ATOM 1835 O LYS B 737 3.780 27.113 41.626 1.00 58.67 O ATOM 1836 CB LYS B 737 5.890 25.755 39.753 1.00 69.62 C ATOM 1837 CG LYS B 737 7.203 25.099 39.359 1.00 74.01 C ATOM 1838 CD LYS B 737 7.731 25.613 38.036 1.00 75.85 C ATOM 1839 CE LYS B 737 7.904 27.120 38.066 1.00 80.44 C ATOM 1840 NZ LYS B 737 9.054 27.546 37.243 1.00 86.21 N ATOM 0 H LYS B 737 4.097 24.270 40.842 1.00 69.66 H new ATOM 0 HA LYS B 737 6.344 25.399 41.755 1.00 69.47 H new ATOM 0 HB2 LYS B 737 5.174 25.375 39.220 1.00 69.62 H new ATOM 0 HB3 LYS B 737 5.932 26.700 39.539 1.00 69.62 H new ATOM 0 HG2 LYS B 737 7.863 25.260 40.052 1.00 74.01 H new ATOM 0 HG3 LYS B 737 7.078 24.139 39.303 1.00 74.01 H new ATOM 0 HD2 LYS B 737 8.581 25.191 37.838 1.00 75.85 H new ATOM 0 HD3 LYS B 737 7.120 25.369 37.323 1.00 75.85 H new ATOM 0 HE2 LYS B 737 7.096 27.547 37.741 1.00 80.44 H new ATOM 0 HE3 LYS B 737 8.032 27.415 38.981 1.00 80.44 H new ATOM 0 HZ1 LYS B 737 9.133 28.432 37.278 1.00 86.21 H new ATOM 0 HZ2 LYS B 737 9.798 27.170 37.555 1.00 86.21 H new ATOM 0 HZ3 LYS B 737 8.925 27.293 36.399 1.00 86.21 H new ATOM 1841 N ASN B 738 5.825 27.791 42.224 1.00 70.20 N ATOM 1842 CA ASN B 738 5.378 29.057 42.793 1.00 70.50 C ATOM 1843 C ASN B 738 6.568 30.021 42.995 1.00 68.08 C ATOM 1844 O ASN B 738 7.263 29.909 43.982 1.00 75.59 O ATOM 1845 CB ASN B 738 4.606 28.817 44.106 1.00 77.19 C ATOM 1846 CG ASN B 738 3.559 29.884 44.363 1.00 83.64 C ATOM 1847 OD1 ASN B 738 3.817 31.076 44.189 1.00103.80 O ATOM 1848 ND2 ASN B 738 2.369 29.464 44.738 1.00 80.50 N ATOM 0 H ASN B 738 6.677 27.677 42.240 1.00 70.20 H new ATOM 0 HA ASN B 738 4.769 29.480 42.167 1.00 70.50 H new ATOM 0 HB2 ASN B 738 4.177 27.948 44.072 1.00 77.19 H new ATOM 0 HB3 ASN B 738 5.232 28.796 44.847 1.00 77.19 H new ATOM 0 HD21 ASN B 738 1.735 30.030 44.871 1.00 80.50 H new ATOM 0 HD22 ASN B 738 2.225 28.624 44.850 1.00 80.50 H new ATOM 1849 N PRO B 739 6.791 30.989 42.108 1.00 59.02 N ATOM 1850 CA PRO B 739 5.823 31.415 41.123 1.00 53.17 C ATOM 1851 C PRO B 739 5.800 30.529 39.870 1.00 44.13 C ATOM 1852 O PRO B 739 6.788 29.852 39.530 1.00 48.05 O ATOM 1853 CB PRO B 739 6.268 32.850 40.799 1.00 53.46 C ATOM 1854 CG PRO B 739 7.744 32.826 40.970 1.00 56.07 C ATOM 1855 CD PRO B 739 8.011 31.813 42.059 1.00 53.75 C ATOM 0 HA PRO B 739 4.914 31.356 41.456 1.00 53.17 H new ATOM 0 HB2 PRO B 739 6.021 33.102 39.895 1.00 53.46 H new ATOM 0 HB3 PRO B 739 5.853 33.492 41.396 1.00 53.46 H new ATOM 0 HG2 PRO B 739 8.187 32.575 40.144 1.00 56.07 H new ATOM 0 HG3 PRO B 739 8.081 33.701 41.218 1.00 56.07 H new ATOM 0 HD2 PRO B 739 8.792 31.275 41.856 1.00 53.75 H new ATOM 0 HD3 PRO B 739 8.178 32.246 42.911 1.00 53.75 H new ATOM 1856 N TRP B 740 4.625 30.517 39.240 1.00 36.31 N ATOM 1857 CA TRP B 740 4.368 29.815 37.987 1.00 30.83 C ATOM 1858 C TRP B 740 3.977 30.884 36.973 1.00 29.21 C ATOM 1859 O TRP B 740 3.099 31.707 37.262 1.00 31.14 O ATOM 1860 CB TRP B 740 3.220 28.826 38.181 1.00 31.39 C ATOM 1861 CG TRP B 740 2.837 28.139 36.930 1.00 28.82 C ATOM 1862 CD1 TRP B 740 3.512 27.134 36.323 1.00 31.96 C ATOM 1863 CD2 TRP B 740 1.714 28.443 36.101 1.00 24.35 C ATOM 1864 NE1 TRP B 740 2.863 26.761 35.175 1.00 30.05 N ATOM 1865 CE2 TRP B 740 1.767 27.582 35.003 1.00 26.87 C ATOM 1866 CE3 TRP B 740 0.647 29.349 36.199 1.00 27.76 C ATOM 1867 CZ2 TRP B 740 0.776 27.588 33.997 1.00 23.97 C ATOM 1868 CZ3 TRP B 740 -0.329 29.374 35.228 1.00 25.97 C ATOM 1869 CH2 TRP B 740 -0.248 28.480 34.123 1.00 25.85 C ATOM 0 H TRP B 740 3.935 30.931 39.542 1.00 36.31 H new ATOM 0 HA TRP B 740 5.144 29.316 37.688 1.00 30.83 H new ATOM 0 HB2 TRP B 740 3.477 28.165 38.842 1.00 31.39 H new ATOM 0 HB3 TRP B 740 2.450 29.297 38.535 1.00 31.39 H new ATOM 0 HD1 TRP B 740 4.300 26.753 36.639 1.00 31.96 H new ATOM 0 HE1 TRP B 740 3.099 26.122 34.650 1.00 30.05 H new ATOM 0 HE3 TRP B 740 0.599 29.933 36.921 1.00 27.76 H new ATOM 0 HZ2 TRP B 740 0.820 27.004 33.274 1.00 23.97 H new ATOM 0 HZ3 TRP B 740 -1.038 29.972 35.294 1.00 25.97 H new ATOM 0 HH2 TRP B 740 -0.910 28.505 33.470 1.00 25.85 H new ATOM 1870 N SER B 741 4.608 30.874 35.796 1.00 23.38 N ATOM 1871 CA SER B 741 4.244 31.720 34.675 1.00 25.93 C ATOM 1872 C SER B 741 3.643 30.818 33.588 1.00 26.44 C ATOM 1873 O SER B 741 4.217 29.731 33.321 1.00 24.14 O ATOM 1874 CB SER B 741 5.439 32.385 34.084 1.00 28.45 C ATOM 1875 OG SER B 741 5.779 33.533 34.783 1.00 31.68 O ATOM 0 H SER B 741 5.276 30.359 35.631 1.00 23.38 H new ATOM 0 HA SER B 741 3.624 32.398 34.986 1.00 25.93 H new ATOM 0 HB2 SER B 741 6.188 31.769 34.087 1.00 28.45 H new ATOM 0 HB3 SER B 741 5.261 32.610 33.157 1.00 28.45 H new ATOM 0 HG SER B 741 5.216 34.136 34.623 1.00 31.68 H new ATOM 1876 N CYS B 742 2.596 31.331 32.914 1.00 23.86 N ATOM 1877 CA CYS B 742 1.908 30.632 31.869 1.00 22.81 C ATOM 1878 C CYS B 742 2.689 30.673 30.546 1.00 21.28 C ATOM 1879 O CYS B 742 3.643 31.453 30.391 1.00 21.97 O ATOM 1880 CB CYS B 742 0.538 31.303 31.686 1.00 23.32 C ATOM 1881 SG CYS B 742 0.395 32.791 30.727 1.00 23.03 S ATOM 0 H CYS B 742 2.276 32.114 33.072 1.00 23.86 H new ATOM 0 HA CYS B 742 1.813 29.699 32.115 1.00 22.81 H new ATOM 0 HB2 CYS B 742 -0.054 30.646 31.287 1.00 23.32 H new ATOM 0 HB3 CYS B 742 0.192 31.497 32.571 1.00 23.32 H new ATOM 1882 N ILE B 743 2.174 29.953 29.554 1.00 20.26 N ATOM 1883 CA ILE B 743 2.761 29.853 28.252 1.00 20.33 C ATOM 1884 C ILE B 743 2.755 31.182 27.473 1.00 19.59 C ATOM 1885 O ILE B 743 3.674 31.489 26.718 1.00 19.11 O ATOM 1886 CB ILE B 743 2.211 28.707 27.451 1.00 20.42 C ATOM 1887 CG1 ILE B 743 3.121 28.490 26.206 1.00 21.46 C ATOM 1888 CG2 ILE B 743 0.760 28.866 27.012 1.00 21.64 C ATOM 1889 CD1 ILE B 743 2.955 27.102 25.627 1.00 24.53 C ATOM 0 H ILE B 743 1.448 29.499 29.636 1.00 20.26 H new ATOM 0 HA ILE B 743 3.697 29.649 28.407 1.00 20.33 H new ATOM 0 HB ILE B 743 2.213 27.935 28.039 1.00 20.42 H new ATOM 0 HG12 ILE B 743 2.907 29.151 25.529 1.00 21.46 H new ATOM 0 HG13 ILE B 743 4.048 28.629 26.454 1.00 21.46 H new ATOM 0 HG21 ILE B 743 0.488 28.086 26.504 1.00 21.64 H new ATOM 0 HG22 ILE B 743 0.193 28.956 27.794 1.00 21.64 H new ATOM 0 HG23 ILE B 743 0.674 29.658 26.459 1.00 21.64 H new ATOM 0 HD11 ILE B 743 3.534 27.002 24.856 1.00 24.53 H new ATOM 0 HD12 ILE B 743 3.192 26.441 26.297 1.00 24.53 H new ATOM 0 HD13 ILE B 743 2.032 26.972 25.357 1.00 24.53 H new ATOM 1890 N PHE B 744 1.722 32.022 27.629 1.00 20.45 N ATOM 1891 CA PHE B 744 1.738 33.317 26.956 1.00 20.32 C ATOM 1892 C PHE B 744 2.941 34.160 27.457 1.00 20.96 C ATOM 1893 O PHE B 744 3.649 34.788 26.686 1.00 23.62 O ATOM 1894 CB PHE B 744 0.435 34.114 27.250 1.00 21.97 C ATOM 1895 CG PHE B 744 -0.814 33.538 26.661 1.00 20.93 C ATOM 1896 CD1 PHE B 744 -1.456 32.440 27.198 1.00 20.04 C ATOM 1897 CD2 PHE B 744 -1.344 34.086 25.531 1.00 19.73 C ATOM 1898 CE1 PHE B 744 -2.599 31.921 26.600 1.00 19.41 C ATOM 1899 CE2 PHE B 744 -2.489 33.597 24.971 1.00 20.54 C ATOM 1900 CZ PHE B 744 -3.126 32.532 25.506 1.00 20.02 C ATOM 0 H PHE B 744 1.025 31.863 28.106 1.00 20.45 H new ATOM 0 HA PHE B 744 1.810 33.152 26.003 1.00 20.32 H new ATOM 0 HB2 PHE B 744 0.322 34.177 28.211 1.00 21.97 H new ATOM 0 HB3 PHE B 744 0.545 35.018 26.917 1.00 21.97 H new ATOM 0 HD1 PHE B 744 -1.120 32.043 27.969 1.00 20.04 H new ATOM 0 HD2 PHE B 744 -0.916 34.809 25.133 1.00 19.73 H new ATOM 0 HE1 PHE B 744 -3.002 31.158 26.947 1.00 19.41 H new ATOM 0 HE2 PHE B 744 -2.836 34.003 24.210 1.00 20.54 H new ATOM 0 HZ PHE B 744 -3.917 32.220 25.129 1.00 20.02 H new ATOM 1901 N CYS B 745 3.144 34.160 28.764 1.00 21.12 N ATOM 1902 CA CYS B 745 4.245 34.874 29.408 1.00 22.11 C ATOM 1903 C CYS B 745 5.614 34.327 28.960 1.00 26.15 C ATOM 1904 O CYS B 745 6.556 35.084 28.621 1.00 24.68 O ATOM 1905 CB CYS B 745 4.149 34.792 30.884 1.00 22.16 C ATOM 1906 SG CYS B 745 2.818 35.868 31.557 1.00 27.93 S ATOM 0 H CYS B 745 2.638 33.738 29.317 1.00 21.12 H new ATOM 0 HA CYS B 745 4.172 35.802 29.134 1.00 22.11 H new ATOM 0 HB2 CYS B 745 3.982 33.873 31.145 1.00 22.16 H new ATOM 0 HB3 CYS B 745 4.998 35.048 31.276 1.00 22.16 H new ATOM 1907 N ARG B 746 5.723 33.008 28.944 1.00 23.62 N ATOM 1908 CA ARG B 746 6.989 32.372 28.503 1.00 22.35 C ATOM 1909 C ARG B 746 7.342 32.601 27.073 1.00 23.36 C ATOM 1910 O ARG B 746 8.531 32.777 26.772 1.00 24.95 O ATOM 1911 CB ARG B 746 6.941 30.870 28.754 1.00 24.26 C ATOM 1912 CG ARG B 746 6.892 30.560 30.237 1.00 26.93 C ATOM 1913 CD ARG B 746 6.546 29.144 30.534 1.00 27.33 C ATOM 1914 NE ARG B 746 7.608 28.216 30.083 1.00 29.17 N ATOM 1915 CZ ARG B 746 7.519 26.882 30.045 1.00 26.77 C ATOM 1916 NH1 ARG B 746 6.422 26.236 30.395 1.00 29.26 N ATOM 1917 NH2 ARG B 746 8.599 26.189 29.661 1.00 28.49 N ATOM 0 H ARG B 746 5.101 32.462 29.176 1.00 23.62 H new ATOM 0 HA ARG B 746 7.679 32.802 29.033 1.00 22.35 H new ATOM 0 HB2 ARG B 746 6.162 30.492 28.317 1.00 24.26 H new ATOM 0 HB3 ARG B 746 7.721 30.449 28.359 1.00 24.26 H new ATOM 0 HG2 ARG B 746 7.754 30.765 30.632 1.00 26.93 H new ATOM 0 HG3 ARG B 746 6.241 31.141 30.661 1.00 26.93 H new ATOM 0 HD2 ARG B 746 6.406 29.038 31.488 1.00 27.33 H new ATOM 0 HD3 ARG B 746 5.710 28.916 30.098 1.00 27.33 H new ATOM 0 HE ARG B 746 8.349 28.566 29.822 1.00 29.17 H new ATOM 0 HH11 ARG B 746 5.731 26.674 30.659 1.00 29.26 H new ATOM 0 HH12 ARG B 746 6.399 25.377 30.359 1.00 29.26 H new ATOM 0 HH21 ARG B 746 9.322 26.603 29.448 1.00 28.49 H new ATOM 0 HH22 ARG B 746 8.569 25.330 29.628 1.00 28.49 H new ATOM 1918 N ILE B 747 6.371 32.538 26.176 1.00 22.18 N ATOM 1919 CA ILE B 747 6.541 32.867 24.776 1.00 24.25 C ATOM 1920 C ILE B 747 6.949 34.347 24.588 1.00 27.18 C ATOM 1921 O ILE B 747 7.791 34.667 23.745 1.00 26.80 O ATOM 1922 CB ILE B 747 5.246 32.605 23.997 1.00 24.46 C ATOM 1923 CG1 ILE B 747 4.978 31.076 23.849 1.00 27.61 C ATOM 1924 CG2 ILE B 747 5.250 33.223 22.620 1.00 26.61 C ATOM 1925 CD1 ILE B 747 5.911 30.359 22.872 1.00 27.64 C ATOM 0 H ILE B 747 5.570 32.295 26.374 1.00 22.18 H new ATOM 0 HA ILE B 747 7.249 32.300 24.434 1.00 24.25 H new ATOM 0 HB ILE B 747 4.542 33.022 24.518 1.00 24.46 H new ATOM 0 HG12 ILE B 747 5.060 30.659 24.721 1.00 27.61 H new ATOM 0 HG13 ILE B 747 4.062 30.947 23.557 1.00 27.61 H new ATOM 0 HG21 ILE B 747 4.411 33.027 22.175 1.00 26.61 H new ATOM 0 HG22 ILE B 747 5.358 34.184 22.697 1.00 26.61 H new ATOM 0 HG23 ILE B 747 5.984 32.856 22.103 1.00 26.61 H new ATOM 0 HD11 ILE B 747 5.681 29.417 22.837 1.00 27.64 H new ATOM 0 HD12 ILE B 747 5.816 30.748 21.989 1.00 27.64 H new ATOM 0 HD13 ILE B 747 6.829 30.456 23.170 1.00 27.64 H new ATOM 1926 N LYS B 748 6.312 35.243 25.313 1.00 26.42 N ATOM 1927 CA LYS B 748 6.642 36.681 25.215 1.00 33.40 C ATOM 1928 C LYS B 748 8.086 36.940 25.679 1.00 30.14 C ATOM 1929 O LYS B 748 8.800 37.713 25.055 1.00 29.75 O ATOM 1930 CB LYS B 748 5.678 37.484 26.052 1.00 34.10 C ATOM 1931 CG LYS B 748 5.821 39.006 25.847 1.00 44.70 C ATOM 1932 CD LYS B 748 4.828 39.778 26.711 1.00 52.24 C ATOM 1933 CE LYS B 748 4.997 39.476 28.195 1.00 58.00 C ATOM 1934 NZ LYS B 748 4.202 40.405 29.057 1.00 73.92 N ATOM 0 H LYS B 748 5.685 35.056 25.871 1.00 26.42 H new ATOM 0 HA LYS B 748 6.565 36.954 24.287 1.00 33.40 H new ATOM 0 HB2 LYS B 748 4.771 37.218 25.835 1.00 34.10 H new ATOM 0 HB3 LYS B 748 5.819 37.275 26.989 1.00 34.10 H new ATOM 0 HG2 LYS B 748 6.725 39.280 26.066 1.00 44.70 H new ATOM 0 HG3 LYS B 748 5.677 39.223 24.913 1.00 44.70 H new ATOM 0 HD2 LYS B 748 4.943 40.729 26.561 1.00 52.24 H new ATOM 0 HD3 LYS B 748 3.924 39.556 26.439 1.00 52.24 H new ATOM 0 HE2 LYS B 748 4.724 38.562 28.370 1.00 58.00 H new ATOM 0 HE3 LYS B 748 5.935 39.542 28.432 1.00 58.00 H new ATOM 0 HZ1 LYS B 748 4.327 40.196 29.913 1.00 73.92 H new ATOM 0 HZ2 LYS B 748 4.467 41.243 28.914 1.00 73.92 H new ATOM 0 HZ3 LYS B 748 3.338 40.330 28.857 1.00 73.92 H new ATOM 1935 N THR B 749 8.493 36.311 26.785 1.00 29.71 N ATOM 1936 CA THR B 749 9.882 36.349 27.229 1.00 32.42 C ATOM 1937 C THR B 749 10.878 35.983 26.128 1.00 34.13 C ATOM 1938 O THR B 749 11.836 36.706 25.909 1.00 39.70 O ATOM 1939 CB THR B 749 10.089 35.512 28.502 1.00 32.64 C ATOM 1940 OG1 THR B 749 9.396 36.161 29.584 1.00 33.96 O ATOM 1941 CG2 THR B 749 11.510 35.497 28.897 1.00 35.11 C ATOM 0 H THR B 749 7.972 35.854 27.294 1.00 29.71 H new ATOM 0 HA THR B 749 10.072 37.273 27.453 1.00 32.42 H new ATOM 0 HB THR B 749 9.772 34.612 28.327 1.00 32.64 H new ATOM 0 HG1 THR B 749 8.593 35.916 29.590 1.00 33.96 H new ATOM 0 HG21 THR B 749 11.617 34.964 29.701 1.00 35.11 H new ATOM 0 HG22 THR B 749 12.041 35.113 28.182 1.00 35.11 H new ATOM 0 HG23 THR B 749 11.808 36.404 29.069 1.00 35.11 H new ATOM 1942 N ILE B 750 10.616 34.918 25.404 1.00 30.68 N ATOM 1943 CA ILE B 750 11.405 34.508 24.241 1.00 31.26 C ATOM 1944 C ILE B 750 11.362 35.515 23.095 1.00 35.78 C ATOM 1945 O ILE B 750 12.392 35.821 22.474 1.00 31.62 O ATOM 1946 CB ILE B 750 10.925 33.122 23.680 1.00 30.67 C ATOM 1947 CG1 ILE B 750 11.199 32.029 24.696 1.00 32.31 C ATOM 1948 CG2 ILE B 750 11.591 32.797 22.351 1.00 30.62 C ATOM 1949 CD1 ILE B 750 10.475 30.744 24.383 1.00 34.18 C ATOM 0 H ILE B 750 9.957 34.391 25.572 1.00 30.68 H new ATOM 0 HA ILE B 750 12.316 34.448 24.568 1.00 31.26 H new ATOM 0 HB ILE B 750 9.970 33.175 23.521 1.00 30.67 H new ATOM 0 HG12 ILE B 750 12.153 31.857 24.731 1.00 32.31 H new ATOM 0 HG13 ILE B 750 10.934 32.338 25.576 1.00 32.31 H new ATOM 0 HG21 ILE B 750 11.275 31.937 22.032 1.00 30.62 H new ATOM 0 HG22 ILE B 750 11.371 33.483 21.702 1.00 30.62 H new ATOM 0 HG23 ILE B 750 12.553 32.763 22.471 1.00 30.62 H new ATOM 0 HD11 ILE B 750 10.684 30.082 25.060 1.00 34.18 H new ATOM 0 HD12 ILE B 750 9.519 30.905 24.373 1.00 34.18 H new ATOM 0 HD13 ILE B 750 10.756 30.417 23.514 1.00 34.18 H new ATOM 1950 N GLN B 751 10.182 36.007 22.786 1.00 30.62 N ATOM 1951 CA GLN B 751 10.041 36.968 21.700 1.00 33.27 C ATOM 1952 C GLN B 751 10.822 38.263 21.973 1.00 31.14 C ATOM 1953 O GLN B 751 11.344 38.878 21.049 1.00 35.84 O ATOM 1954 CB GLN B 751 8.582 37.258 21.416 1.00 35.76 C ATOM 1955 CG GLN B 751 7.883 36.033 20.829 1.00 43.94 C ATOM 1956 CD GLN B 751 6.386 36.229 20.589 1.00 47.61 C ATOM 1957 OE1 GLN B 751 5.705 37.044 21.250 1.00 46.09 O ATOM 1958 NE2 GLN B 751 5.874 35.494 19.616 1.00 49.29 N ATOM 0 H GLN B 751 9.449 35.803 23.187 1.00 30.62 H new ATOM 0 HA GLN B 751 10.427 36.564 20.907 1.00 33.27 H new ATOM 0 HB2 GLN B 751 8.137 37.527 22.235 1.00 35.76 H new ATOM 0 HB3 GLN B 751 8.511 38.002 20.798 1.00 35.76 H new ATOM 0 HG2 GLN B 751 8.308 35.801 19.989 1.00 43.94 H new ATOM 0 HG3 GLN B 751 8.010 35.281 21.429 1.00 43.94 H new ATOM 0 HE21 GLN B 751 6.374 34.944 19.184 1.00 49.29 H new ATOM 0 HE22 GLN B 751 5.041 35.566 19.416 1.00 49.29 H new ATOM 1959 N GLU B 752 10.896 38.657 23.235 1.00 33.85 N ATOM 1960 CA GLU B 752 11.466 39.956 23.636 1.00 37.78 C ATOM 1961 C GLU B 752 12.983 39.939 23.860 1.00 47.16 C ATOM 1962 O GLU B 752 13.558 41.030 24.133 1.00 35.80 O ATOM 1963 CB GLU B 752 10.828 40.438 24.941 1.00 40.87 C ATOM 1964 CG GLU B 752 9.424 40.949 24.708 1.00 42.82 C ATOM 1965 CD GLU B 752 8.705 41.262 25.984 1.00 52.96 C ATOM 1966 OE1 GLU B 752 9.242 40.969 27.099 1.00 53.11 O ATOM 1967 OE2 GLU B 752 7.571 41.782 25.856 1.00 63.95 O ATOM 0 H GLU B 752 10.617 38.181 23.895 1.00 33.85 H new ATOM 0 HA GLU B 752 11.276 40.548 22.891 1.00 37.78 H new ATOM 0 HB2 GLU B 752 10.808 39.710 25.582 1.00 40.87 H new ATOM 0 HB3 GLU B 752 11.371 41.142 25.328 1.00 40.87 H new ATOM 0 HG2 GLU B 752 9.461 41.747 24.158 1.00 42.82 H new ATOM 0 HG3 GLU B 752 8.920 40.285 24.211 1.00 42.82 H new ATOM 1968 N ARG B 753 13.612 38.748 23.790 1.00 38.92 N ATOM 1969 CA ARG B 753 15.005 38.599 24.162 1.00 37.28 C ATOM 1970 C ARG B 753 15.919 39.432 23.238 1.00 42.28 C ATOM 1971 O ARG B 753 16.767 40.275 23.688 1.00 38.25 O ATOM 1972 CB ARG B 753 15.385 37.121 24.099 1.00 38.06 C ATOM 1973 CG ARG B 753 16.797 36.813 24.575 1.00 38.96 C ATOM 1974 CD ARG B 753 17.051 35.322 24.666 1.00 41.11 C ATOM 1975 NE ARG B 753 16.605 34.614 23.449 1.00 40.40 N ATOM 1976 CZ ARG B 753 15.823 33.516 23.413 1.00 42.29 C ATOM 1977 NH1 ARG B 753 15.352 32.903 24.535 1.00 35.26 N ATOM 1978 NH2 ARG B 753 15.539 33.002 22.237 1.00 40.98 N ATOM 0 H ARG B 753 13.235 38.021 23.527 1.00 38.92 H new ATOM 0 HA ARG B 753 15.126 38.927 25.067 1.00 37.28 H new ATOM 0 HB2 ARG B 753 14.757 36.614 24.636 1.00 38.06 H new ATOM 0 HB3 ARG B 753 15.290 36.813 23.184 1.00 38.06 H new ATOM 0 HG2 ARG B 753 17.437 37.213 23.966 1.00 38.96 H new ATOM 0 HG3 ARG B 753 16.940 37.219 25.444 1.00 38.96 H new ATOM 0 HD2 ARG B 753 17.998 35.163 24.804 1.00 41.11 H new ATOM 0 HD3 ARG B 753 16.587 34.961 25.438 1.00 41.11 H new ATOM 0 HE ARG B 753 16.868 34.931 22.694 1.00 40.40 H new ATOM 0 HH11 ARG B 753 15.551 33.215 25.311 1.00 35.26 H new ATOM 0 HH12 ARG B 753 14.856 32.204 24.467 1.00 35.26 H new ATOM 0 HH21 ARG B 753 15.850 33.366 21.522 1.00 40.98 H new ATOM 0 HH22 ARG B 753 15.043 32.302 22.182 1.00 40.98 H new ATOM 1979 N CYS B 754 15.760 39.187 21.940 1.00 43.39 N ATOM 1980 CA CYS B 754 16.496 39.949 20.903 1.00 43.03 C ATOM 1981 C CYS B 754 15.637 39.956 19.652 1.00 50.33 C ATOM 1982 O CYS B 754 15.799 39.064 18.810 1.00 50.33 O ATOM 1983 CB CYS B 754 17.894 39.394 20.582 1.00 40.05 C ATOM 1984 SG CYS B 754 18.891 40.674 19.657 1.00 41.78 S ATOM 0 H CYS B 754 15.232 38.584 21.628 1.00 43.39 H new ATOM 0 HA CYS B 754 16.654 40.843 21.246 1.00 43.03 H new ATOM 0 HB2 CYS B 754 18.349 39.149 21.403 1.00 40.05 H new ATOM 0 HB3 CYS B 754 17.816 38.587 20.049 1.00 40.05 H new ATOM 0 HG CYS B 754 19.980 40.233 19.413 1.00 41.78 H new ATOM 1985 N PRO B 755 14.718 40.949 19.551 1.00 55.04 N ATOM 1986 CA PRO B 755 13.818 40.978 18.408 1.00 67.16 C ATOM 1987 C PRO B 755 14.580 41.079 17.068 1.00 74.65 C ATOM 1988 O PRO B 755 15.072 42.133 16.726 1.00 67.45 O ATOM 1989 CB PRO B 755 12.912 42.207 18.693 1.00 67.91 C ATOM 1990 CG PRO B 755 12.981 42.403 20.178 1.00 68.96 C ATOM 1991 CD PRO B 755 14.379 41.991 20.550 1.00 63.74 C ATOM 0 HA PRO B 755 13.303 40.162 18.309 1.00 67.16 H new ATOM 0 HB2 PRO B 755 13.227 42.993 18.220 1.00 67.91 H new ATOM 0 HB3 PRO B 755 12.001 42.047 18.402 1.00 67.91 H new ATOM 0 HG2 PRO B 755 12.809 43.326 20.420 1.00 68.96 H new ATOM 0 HG3 PRO B 755 12.320 41.861 20.637 1.00 68.96 H new ATOM 0 HD2 PRO B 755 14.994 42.740 20.506 1.00 63.74 H new ATOM 0 HD3 PRO B 755 14.419 41.643 21.455 1.00 63.74 H new ATOM 1992 N GLU B 756 14.774 39.938 16.402 1.00 91.49 N ATOM 1993 CA GLU B 756 14.805 39.880 14.945 1.00 98.01 C ATOM 1994 C GLU B 756 13.308 39.816 14.667 1.00115.05 C ATOM 1995 O GLU B 756 12.681 38.802 14.986 1.00122.31 O ATOM 1996 CB GLU B 756 15.522 38.622 14.432 1.00 86.32 C ATOM 0 H GLU B 756 14.891 39.177 16.786 1.00 91.49 H new ATOM 0 HA GLU B 756 15.281 40.609 14.517 1.00 98.01 H new ATOM 1997 N SER B 757 12.744 40.916 14.141 1.00128.82 N ATOM 1998 CA SER B 757 11.275 41.158 14.058 1.00134.72 C ATOM 1999 C SER B 757 10.501 40.038 13.338 1.00140.93 C ATOM 2000 O SER B 757 11.089 39.002 13.014 1.00161.56 O ATOM 2001 CB SER B 757 11.015 42.505 13.362 1.00130.26 C ATOM 0 H SER B 757 13.209 41.561 13.813 1.00128.82 H new ATOM 0 HA SER B 757 10.944 41.173 14.970 1.00134.72 H new ATOM 2002 N GLN B 758 9.205 40.219 13.057 1.00133.56 N ATOM 2003 CA GLN B 758 8.488 39.274 12.171 1.00124.95 C ATOM 2004 C GLN B 758 9.083 39.367 10.750 1.00123.20 C ATOM 2005 O GLN B 758 8.356 39.351 9.754 1.00120.22 O ATOM 2006 CB GLN B 758 6.977 39.536 12.174 1.00117.33 C ATOM 0 H GLN B 758 8.727 40.867 13.359 1.00133.56 H new ATOM 0 HA GLN B 758 8.608 38.371 12.504 1.00124.95 H new ATOM 2007 N SER B 759 10.426 39.355 10.698 1.00118.11 N ATOM 2008 CA SER B 759 11.247 39.823 9.580 1.00108.96 C ATOM 2009 C SER B 759 11.233 38.812 8.436 1.00101.21 C ATOM 2010 O SER B 759 11.807 39.074 7.371 1.00112.21 O ATOM 2011 CB SER B 759 12.696 40.082 10.040 1.00 98.73 C ATOM 0 H SER B 759 10.901 39.057 11.350 1.00118.11 H new ATOM 0 HA SER B 759 10.868 40.657 9.260 1.00108.96 H new ATOM 2012 N GLY B 760 10.615 37.652 8.679 1.00 76.65 N ATOM 2013 CA GLY B 760 10.179 36.758 7.631 1.00 69.22 C ATOM 2014 C GLY B 760 11.045 35.525 7.704 1.00 66.30 C ATOM 2015 O GLY B 760 12.271 35.635 7.662 1.00 65.54 O ATOM 0 H GLY B 760 10.440 37.368 9.472 1.00 76.65 H new ATOM 0 HA2 GLY B 760 9.244 36.527 7.746 1.00 69.22 H new ATOM 0 HA3 GLY B 760 10.261 37.183 6.763 1.00 69.22 H new ATOM 2016 N HIS B 761 10.405 34.368 7.880 1.00 52.09 N ATOM 2017 CA HIS B 761 10.993 33.074 7.604 1.00 45.48 C ATOM 2018 C HIS B 761 10.134 32.370 6.570 1.00 40.26 C ATOM 2019 O HIS B 761 8.973 32.712 6.397 1.00 41.12 O ATOM 2020 CB HIS B 761 11.032 32.273 8.876 1.00 44.37 C ATOM 2021 CG HIS B 761 11.762 32.960 9.970 1.00 49.01 C ATOM 2022 ND1 HIS B 761 11.133 33.794 10.859 1.00 55.74 N ATOM 2023 CD2 HIS B 761 13.074 32.946 10.325 1.00 46.75 C ATOM 2024 CE1 HIS B 761 12.020 34.248 11.731 1.00 52.91 C ATOM 2025 NE2 HIS B 761 13.197 33.736 11.433 1.00 45.51 N ATOM 0 H HIS B 761 9.597 34.321 8.171 1.00 52.09 H new ATOM 0 HA HIS B 761 11.896 33.172 7.265 1.00 45.48 H new ATOM 0 HB2 HIS B 761 10.124 32.089 9.165 1.00 44.37 H new ATOM 0 HB3 HIS B 761 11.453 31.417 8.701 1.00 44.37 H new ATOM 0 HD1 HIS B 761 10.296 33.991 10.851 1.00 55.74 H new ATOM 0 HD2 HIS B 761 13.758 32.486 9.895 1.00 46.75 H new ATOM 0 HE1 HIS B 761 11.842 34.830 12.435 1.00 52.91 H new ATOM 2026 N GLN B 762 10.700 31.403 5.861 1.00 35.59 N ATOM 2027 CA GLN B 762 9.937 30.626 4.934 1.00 37.45 C ATOM 2028 C GLN B 762 9.375 29.425 5.654 1.00 38.72 C ATOM 2029 O GLN B 762 10.033 28.929 6.560 1.00 39.80 O ATOM 2030 CB GLN B 762 10.830 30.152 3.807 1.00 46.84 C ATOM 2031 CG GLN B 762 11.710 31.238 3.232 1.00 54.60 C ATOM 2032 CD GLN B 762 10.974 32.561 3.088 1.00 67.75 C ATOM 2033 OE1 GLN B 762 9.959 32.651 2.368 1.00 67.68 O ATOM 2034 NE2 GLN B 762 11.457 33.594 3.797 1.00 75.56 N ATOM 0 H GLN B 762 11.531 31.189 5.911 1.00 35.59 H new ATOM 0 HA GLN B 762 9.219 31.167 4.570 1.00 37.45 H new ATOM 0 HB2 GLN B 762 11.391 29.430 4.131 1.00 46.84 H new ATOM 0 HB3 GLN B 762 10.277 29.786 3.099 1.00 46.84 H new ATOM 0 HG2 GLN B 762 12.484 31.361 3.804 1.00 54.60 H new ATOM 0 HG3 GLN B 762 12.041 30.958 2.364 1.00 54.60 H new ATOM 0 HE21 GLN B 762 12.160 33.492 4.282 1.00 75.56 H new ATOM 0 HE22 GLN B 762 11.063 34.358 3.766 1.00 75.56 H new ATOM 2035 N GLU B 763 8.225 28.914 5.213 1.00 39.05 N ATOM 2036 CA GLU B 763 7.583 27.798 5.887 1.00 37.47 C ATOM 2037 C GLU B 763 8.451 26.549 5.760 1.00 39.02 C ATOM 2038 O GLU B 763 8.575 25.806 6.738 1.00 31.51 O ATOM 2039 CB GLU B 763 6.144 27.513 5.388 1.00 37.38 C ATOM 2040 CG GLU B 763 5.477 26.210 5.986 1.00 35.20 C ATOM 2041 CD GLU B 763 4.124 25.830 5.400 1.00 34.25 C ATOM 2042 OE1 GLU B 763 3.204 26.643 5.543 1.00 42.39 O ATOM 2043 OE2 GLU B 763 3.919 24.736 4.799 1.00 34.92 O ATOM 0 H GLU B 763 7.803 29.204 4.522 1.00 39.05 H new ATOM 0 HA GLU B 763 7.495 28.049 6.820 1.00 37.47 H new ATOM 0 HB2 GLU B 763 5.584 28.275 5.604 1.00 37.38 H new ATOM 0 HB3 GLU B 763 6.160 27.438 4.421 1.00 37.38 H new ATOM 0 HG2 GLU B 763 6.087 25.467 5.857 1.00 35.20 H new ATOM 0 HG3 GLU B 763 5.374 26.330 6.943 1.00 35.20 H new ATOM 2044 N SER B 764 9.073 26.317 4.598 1.00 32.86 N ATOM 2045 CA ASER B 764 9.904 25.102 4.418 0.71 33.27 C ATOM 2046 CA BSER B 764 9.913 25.115 4.411 0.29 31.92 C ATOM 2047 C SER B 764 11.020 25.024 5.424 1.00 31.16 C ATOM 2048 O SER B 764 11.368 23.922 5.861 1.00 36.31 O ATOM 2049 CB ASER B 764 10.514 25.036 2.979 0.71 35.27 C ATOM 2050 CB BSER B 764 10.517 25.023 2.984 0.29 31.50 C ATOM 2051 OG ASER B 764 11.180 26.253 2.748 0.71 35.37 O ATOM 2052 OG BSER B 764 9.748 24.137 2.218 0.29 28.93 O ATOM 0 H ASER B 764 9.033 26.834 3.912 0.71 32.86 H new ATOM 0 H BSER B 764 9.026 26.833 3.912 0.29 32.86 H new ATOM 0 HA ASER B 764 9.310 24.347 4.553 0.71 31.92 H new ATOM 0 HA BSER B 764 9.311 24.366 4.540 0.29 31.92 H new ATOM 0 HB2ASER B 764 11.129 24.290 2.903 0.71 31.50 H new ATOM 0 HB2BSER B 764 10.530 25.900 2.569 0.29 31.50 H new ATOM 0 HB3ASER B 764 9.817 24.897 2.319 0.71 31.50 H new ATOM 0 HB3BSER B 764 11.436 24.716 3.029 0.29 31.50 H new ATOM 0 HG ASER B 764 11.520 26.245 1.980 0.71 28.93 H new ATOM 0 HG BSER B 764 10.069 24.084 1.444 0.29 28.93 H new ATOM 2053 N GLU B 765 11.557 26.179 5.813 1.00 27.58 N ATOM 2054 CA GLU B 765 12.655 26.234 6.765 1.00 30.73 C ATOM 2055 C GLU B 765 12.140 25.922 8.169 1.00 30.49 C ATOM 2056 O GLU B 765 12.745 25.134 8.929 1.00 28.80 O ATOM 2057 CB GLU B 765 13.342 27.601 6.800 1.00 32.47 C ATOM 2058 CG GLU B 765 14.486 27.764 7.799 1.00 41.14 C ATOM 2059 CD GLU B 765 14.162 28.491 9.128 1.00 46.16 C ATOM 2060 OE1 GLU B 765 13.375 29.463 9.170 1.00 47.18 O ATOM 2061 OE2 GLU B 765 14.721 28.094 10.192 1.00 45.31 O ATOM 0 H GLU B 765 11.294 26.948 5.532 1.00 27.58 H new ATOM 0 HA GLU B 765 13.305 25.576 6.475 1.00 30.73 H new ATOM 0 HB2 GLU B 765 13.684 27.791 5.913 1.00 32.47 H new ATOM 0 HB3 GLU B 765 12.671 28.273 6.995 1.00 32.47 H new ATOM 0 HG2 GLU B 765 14.827 26.882 8.014 1.00 41.14 H new ATOM 0 HG3 GLU B 765 15.204 28.246 7.359 1.00 41.14 H new ATOM 2062 N VAL B 766 11.042 26.581 8.500 1.00 25.40 N ATOM 2063 CA VAL B 766 10.440 26.384 9.826 1.00 26.48 C ATOM 2064 C VAL B 766 10.090 24.925 10.067 1.00 23.56 C ATOM 2065 O VAL B 766 10.379 24.384 11.158 1.00 23.87 O ATOM 2066 CB VAL B 766 9.176 27.343 9.999 1.00 27.88 C ATOM 2067 CG1 VAL B 766 8.381 26.932 11.256 1.00 31.14 C ATOM 2068 CG2 VAL B 766 9.613 28.772 10.150 1.00 27.55 C ATOM 0 H VAL B 766 10.630 27.138 7.990 1.00 25.40 H new ATOM 0 HA VAL B 766 11.092 26.624 10.503 1.00 26.48 H new ATOM 0 HB VAL B 766 8.620 27.260 9.209 1.00 27.88 H new ATOM 0 HG11 VAL B 766 7.613 27.516 11.359 1.00 31.14 H new ATOM 0 HG12 VAL B 766 8.079 26.015 11.162 1.00 31.14 H new ATOM 0 HG13 VAL B 766 8.950 27.006 12.038 1.00 31.14 H new ATOM 0 HG21 VAL B 766 8.833 29.340 10.254 1.00 27.55 H new ATOM 0 HG22 VAL B 766 10.180 28.856 10.932 1.00 27.55 H new ATOM 0 HG23 VAL B 766 10.108 29.044 9.361 1.00 27.55 H new ATOM 2069 N LEU B 767 9.519 24.265 9.090 1.00 22.23 N ATOM 2070 CA LEU B 767 9.118 22.889 9.254 1.00 24.06 C ATOM 2071 C LEU B 767 10.317 21.944 9.522 1.00 25.61 C ATOM 2072 O LEU B 767 10.190 20.958 10.218 1.00 22.84 O ATOM 2073 CB LEU B 767 8.327 22.361 8.095 1.00 23.94 C ATOM 2074 CG LEU B 767 6.951 22.962 7.685 1.00 27.44 C ATOM 2075 CD1 LEU B 767 6.336 22.235 6.521 1.00 30.50 C ATOM 2076 CD2 LEU B 767 6.041 22.824 8.883 1.00 26.78 C ATOM 0 H LEU B 767 9.352 24.597 8.315 1.00 22.23 H new ATOM 0 HA LEU B 767 8.544 22.898 10.036 1.00 24.06 H new ATOM 0 HB2 LEU B 767 8.901 22.422 7.315 1.00 23.94 H new ATOM 0 HB3 LEU B 767 8.179 21.418 8.265 1.00 23.94 H new ATOM 0 HG LEU B 767 7.073 23.885 7.414 1.00 27.44 H new ATOM 0 HD11 LEU B 767 5.483 22.641 6.300 1.00 30.50 H new ATOM 0 HD12 LEU B 767 6.928 22.291 5.755 1.00 30.50 H new ATOM 0 HD13 LEU B 767 6.199 21.304 6.756 1.00 30.50 H new ATOM 0 HD21 LEU B 767 5.168 23.188 8.670 1.00 26.78 H new ATOM 0 HD22 LEU B 767 5.952 21.887 9.116 1.00 26.78 H new ATOM 0 HD23 LEU B 767 6.418 23.308 9.634 1.00 26.78 H new ATOM 2077 N MET B 768 11.483 22.316 9.002 1.00 25.64 N ATOM 2078 CA MET B 768 12.709 21.499 9.234 1.00 27.51 C ATOM 2079 C MET B 768 13.388 21.740 10.597 1.00 27.78 C ATOM 2080 O MET B 768 14.287 20.931 10.970 1.00 25.83 O ATOM 2081 CB MET B 768 13.674 21.727 8.033 1.00 31.44 C ATOM 2082 CG MET B 768 13.163 21.030 6.789 1.00 34.35 C ATOM 2083 SD MET B 768 12.819 19.245 6.984 1.00 53.72 S ATOM 2084 CE MET B 768 14.446 18.703 7.559 1.00 51.16 C ATOM 0 H MET B 768 11.601 23.019 8.521 1.00 25.64 H new ATOM 0 HA MET B 768 12.448 20.566 9.281 1.00 27.51 H new ATOM 0 HB2 MET B 768 13.764 22.677 7.862 1.00 31.44 H new ATOM 0 HB3 MET B 768 14.557 21.394 8.255 1.00 31.44 H new ATOM 0 HG2 MET B 768 12.350 21.472 6.499 1.00 34.35 H new ATOM 0 HG3 MET B 768 13.816 21.144 6.081 1.00 34.35 H new ATOM 0 HE1 MET B 768 14.476 17.734 7.578 1.00 51.16 H new ATOM 0 HE2 MET B 768 15.130 19.035 6.956 1.00 51.16 H new ATOM 0 HE3 MET B 768 14.606 19.049 8.451 1.00 51.16 H new ATOM 2085 N ARG B 769 12.937 22.735 11.388 1.00 21.96 N ATOM 2086 CA ARG B 769 13.518 22.957 12.683 1.00 24.81 C ATOM 2087 C ARG B 769 13.322 21.759 13.606 1.00 24.25 C ATOM 2088 O ARG B 769 12.220 21.210 13.679 1.00 21.83 O ATOM 2089 CB ARG B 769 12.914 24.166 13.359 1.00 27.33 C ATOM 2090 CG ARG B 769 13.316 25.461 12.645 1.00 31.61 C ATOM 2091 CD ARG B 769 12.775 26.663 13.344 1.00 34.11 C ATOM 2092 NE ARG B 769 12.911 27.828 12.467 1.00 41.12 N ATOM 2093 CZ ARG B 769 12.455 29.034 12.754 1.00 45.75 C ATOM 2094 NH1 ARG B 769 11.823 29.249 13.921 1.00 46.88 N ATOM 2095 NH2 ARG B 769 12.636 30.038 11.869 1.00 44.38 N ATOM 0 H ARG B 769 12.302 23.275 11.178 1.00 21.96 H new ATOM 0 HA ARG B 769 14.465 23.099 12.529 1.00 24.81 H new ATOM 0 HB2 ARG B 769 11.947 24.085 13.367 1.00 27.33 H new ATOM 0 HB3 ARG B 769 13.204 24.201 14.284 1.00 27.33 H new ATOM 0 HG2 ARG B 769 14.283 25.520 12.600 1.00 31.61 H new ATOM 0 HG3 ARG B 769 12.990 25.443 11.732 1.00 31.61 H new ATOM 0 HD2 ARG B 769 11.843 26.525 13.575 1.00 34.11 H new ATOM 0 HD3 ARG B 769 13.254 26.811 14.174 1.00 34.11 H new ATOM 0 HE ARG B 769 13.315 27.720 11.715 1.00 41.12 H new ATOM 0 HH11 ARG B 769 11.717 28.602 14.478 1.00 46.88 H new ATOM 0 HH12 ARG B 769 11.525 30.033 14.111 1.00 46.88 H new ATOM 0 HH21 ARG B 769 13.045 29.889 11.127 1.00 44.38 H new ATOM 0 HH22 ARG B 769 12.343 30.826 12.047 1.00 44.38 H new ATOM 2096 N GLN B 770 14.394 21.374 14.305 1.00 24.39 N ATOM 2097 CA GLN B 770 14.278 20.318 15.305 1.00 21.16 C ATOM 2098 C GLN B 770 13.520 20.798 16.523 1.00 21.72 C ATOM 2099 O GLN B 770 13.595 21.957 16.890 1.00 21.11 O ATOM 2100 CB GLN B 770 15.692 19.777 15.669 1.00 24.43 C ATOM 2101 CG GLN B 770 16.274 19.103 14.438 1.00 27.24 C ATOM 2102 CD GLN B 770 17.679 18.564 14.693 1.00 33.92 C ATOM 2103 OE1 GLN B 770 18.099 18.424 15.824 1.00 33.33 O ATOM 2104 NE2 GLN B 770 18.391 18.284 13.645 1.00 39.33 N ATOM 0 H GLN B 770 15.182 21.707 14.216 1.00 24.39 H new ATOM 0 HA GLN B 770 13.764 19.585 14.932 1.00 21.16 H new ATOM 0 HB2 GLN B 770 16.267 20.502 15.961 1.00 24.43 H new ATOM 0 HB3 GLN B 770 15.634 19.147 16.404 1.00 24.43 H new ATOM 0 HG2 GLN B 770 15.694 18.375 14.164 1.00 27.24 H new ATOM 0 HG3 GLN B 770 16.300 19.737 13.705 1.00 27.24 H new ATOM 0 HE21 GLN B 770 18.061 18.395 12.859 1.00 39.33 H new ATOM 0 HE22 GLN B 770 19.193 17.987 13.737 1.00 39.33 H new ATOM 2105 N MET B 771 12.868 19.833 17.191 1.00 20.40 N ATOM 2106 CA MET B 771 12.091 20.118 18.418 1.00 22.83 C ATOM 2107 C MET B 771 12.907 20.296 19.667 1.00 19.80 C ATOM 2108 O MET B 771 12.661 19.691 20.691 1.00 20.85 O ATOM 2109 CB MET B 771 10.947 19.133 18.563 1.00 23.20 C ATOM 2110 CG MET B 771 9.991 19.206 17.404 1.00 24.26 C ATOM 2111 SD MET B 771 8.764 20.610 17.635 1.00 24.74 S ATOM 2112 CE MET B 771 7.541 19.732 18.583 1.00 25.04 C ATOM 0 H MET B 771 12.861 19.007 16.952 1.00 20.40 H new ATOM 0 HA MET B 771 11.708 21.001 18.299 1.00 22.83 H new ATOM 0 HB2 MET B 771 11.303 18.233 18.632 1.00 23.20 H new ATOM 0 HB3 MET B 771 10.469 19.313 19.388 1.00 23.20 H new ATOM 0 HG2 MET B 771 10.485 19.336 16.580 1.00 24.26 H new ATOM 0 HG3 MET B 771 9.514 18.365 17.319 1.00 24.26 H new ATOM 0 HE1 MET B 771 6.871 20.356 18.905 1.00 25.04 H new ATOM 0 HE2 MET B 771 7.117 19.063 18.023 1.00 25.04 H new ATOM 0 HE3 MET B 771 7.967 19.298 19.339 1.00 25.04 H new ATOM 2113 N LEU B 772 13.813 21.290 19.601 1.00 21.49 N ATOM 2114 CA LEU B 772 14.501 21.814 20.731 1.00 20.29 C ATOM 2115 C LEU B 772 13.482 22.482 21.718 1.00 19.36 C ATOM 2116 O LEU B 772 12.298 22.731 21.325 1.00 19.84 O ATOM 2117 CB LEU B 772 15.541 22.841 20.264 1.00 25.17 C ATOM 2118 CG LEU B 772 16.681 22.195 19.461 1.00 30.06 C ATOM 2119 CD1 LEU B 772 17.541 23.307 18.881 1.00 28.83 C ATOM 2120 CD2 LEU B 772 17.482 21.226 20.329 1.00 29.37 C ATOM 0 H LEU B 772 14.032 21.672 18.862 1.00 21.49 H new ATOM 0 HA LEU B 772 14.953 21.093 21.196 1.00 20.29 H new ATOM 0 HB2 LEU B 772 15.105 23.514 19.718 1.00 25.17 H new ATOM 0 HB3 LEU B 772 15.911 23.298 21.036 1.00 25.17 H new ATOM 0 HG LEU B 772 16.324 21.664 18.732 1.00 30.06 H new ATOM 0 HD11 LEU B 772 18.268 22.920 18.369 1.00 28.83 H new ATOM 0 HD12 LEU B 772 17.000 23.866 18.302 1.00 28.83 H new ATOM 0 HD13 LEU B 772 17.904 23.845 19.602 1.00 28.83 H new ATOM 0 HD21 LEU B 772 18.194 20.832 19.802 1.00 29.37 H new ATOM 0 HD22 LEU B 772 17.864 21.705 21.081 1.00 29.37 H new ATOM 0 HD23 LEU B 772 16.897 20.525 20.657 1.00 29.37 H new ATOM 2121 N PRO B 773 13.894 22.718 22.965 1.00 19.53 N ATOM 2122 CA PRO B 773 12.928 23.209 23.960 1.00 20.28 C ATOM 2123 C PRO B 773 12.095 24.433 23.522 1.00 20.83 C ATOM 2124 O PRO B 773 10.866 24.423 23.753 1.00 21.26 O ATOM 2125 CB PRO B 773 13.806 23.512 25.179 1.00 20.99 C ATOM 2126 CG PRO B 773 14.797 22.391 25.059 1.00 20.90 C ATOM 2127 CD PRO B 773 15.151 22.323 23.658 1.00 20.35 C ATOM 0 HA PRO B 773 12.236 22.550 24.125 1.00 20.28 H new ATOM 0 HB2 PRO B 773 14.224 24.386 25.129 1.00 20.99 H new ATOM 0 HB3 PRO B 773 13.310 23.483 26.012 1.00 20.99 H new ATOM 0 HG2 PRO B 773 15.579 22.558 25.607 1.00 20.90 H new ATOM 0 HG3 PRO B 773 14.413 21.553 25.361 1.00 20.90 H new ATOM 0 HD2 PRO B 773 15.881 22.924 23.444 1.00 20.35 H new ATOM 0 HD3 PRO B 773 15.434 21.431 23.404 1.00 20.35 H new ATOM 2128 N GLU B 774 12.701 25.442 22.860 1.00 21.98 N ATOM 2129 CA GLU B 774 11.875 26.620 22.449 1.00 23.62 C ATOM 2130 C GLU B 774 10.899 26.251 21.353 1.00 23.67 C ATOM 2131 O GLU B 774 9.766 26.768 21.315 1.00 23.21 O ATOM 2132 CB GLU B 774 12.745 27.849 22.098 1.00 24.16 C ATOM 2133 CG GLU B 774 13.336 28.465 23.388 1.00 28.62 C ATOM 2134 CD GLU B 774 14.180 29.741 23.234 1.00 34.66 C ATOM 2135 OE1 GLU B 774 14.376 30.253 22.099 1.00 33.14 O ATOM 2136 OE2 GLU B 774 14.627 30.220 24.309 1.00 35.35 O ATOM 0 H GLU B 774 13.534 25.473 22.647 1.00 21.98 H new ATOM 0 HA GLU B 774 11.343 26.887 23.215 1.00 23.62 H new ATOM 0 HB2 GLU B 774 13.461 27.587 21.498 1.00 24.16 H new ATOM 0 HB3 GLU B 774 12.211 28.510 21.630 1.00 24.16 H new ATOM 0 HG2 GLU B 774 12.602 28.661 23.991 1.00 28.62 H new ATOM 0 HG3 GLU B 774 13.885 27.791 23.819 1.00 28.62 H new ATOM 2137 N GLU B 775 11.277 25.391 20.417 1.00 21.89 N ATOM 2138 CA GLU B 775 10.387 25.029 19.348 1.00 22.91 C ATOM 2139 C GLU B 775 9.238 24.127 19.886 1.00 20.93 C ATOM 2140 O GLU B 775 8.107 24.207 19.403 1.00 19.77 O ATOM 2141 CB GLU B 775 11.114 24.294 18.195 1.00 26.00 C ATOM 2142 CG GLU B 775 12.317 25.043 17.598 1.00 37.57 C ATOM 2143 CD GLU B 775 12.020 26.456 17.156 1.00 48.99 C ATOM 2144 OE1 GLU B 775 10.963 26.691 16.543 1.00 50.79 O ATOM 2145 OE2 GLU B 775 12.864 27.338 17.403 1.00 54.24 O ATOM 0 H GLU B 775 12.047 25.010 20.390 1.00 21.89 H new ATOM 0 HA GLU B 775 10.026 25.856 18.993 1.00 22.91 H new ATOM 0 HB2 GLU B 775 11.417 23.432 18.520 1.00 26.00 H new ATOM 0 HB3 GLU B 775 10.474 24.121 17.486 1.00 26.00 H new ATOM 0 HG2 GLU B 775 13.029 25.065 18.257 1.00 37.57 H new ATOM 0 HG3 GLU B 775 12.650 24.542 16.837 1.00 37.57 H new ATOM 2146 N GLN B 776 9.540 23.263 20.832 1.00 18.10 N ATOM 2147 CA GLN B 776 8.545 22.370 21.488 1.00 19.39 C ATOM 2148 C GLN B 776 7.511 23.312 22.181 1.00 19.18 C ATOM 2149 O GLN B 776 6.293 23.125 22.033 1.00 18.38 O ATOM 2150 CB GLN B 776 9.268 21.506 22.534 1.00 19.14 C ATOM 2151 CG GLN B 776 8.382 20.702 23.473 1.00 20.25 C ATOM 2152 CD GLN B 776 7.830 19.477 22.880 1.00 21.25 C ATOM 2153 OE1 GLN B 776 8.386 18.892 21.940 1.00 20.78 O ATOM 2154 NE2 GLN B 776 6.728 19.053 23.409 1.00 21.01 N ATOM 0 H GLN B 776 10.340 23.161 21.132 1.00 18.10 H new ATOM 0 HA GLN B 776 8.106 21.779 20.857 1.00 19.39 H new ATOM 0 HB2 GLN B 776 9.855 20.890 22.067 1.00 19.14 H new ATOM 0 HB3 GLN B 776 9.833 22.085 23.070 1.00 19.14 H new ATOM 0 HG2 GLN B 776 8.895 20.465 24.261 1.00 20.25 H new ATOM 0 HG3 GLN B 776 7.649 21.264 23.770 1.00 20.25 H new ATOM 0 HE21 GLN B 776 6.370 19.485 24.061 1.00 21.01 H new ATOM 0 HE22 GLN B 776 6.354 18.339 23.109 1.00 21.01 H new ATOM 2155 N LEU B 777 8.005 24.339 22.891 1.00 19.39 N ATOM 2156 CA LEU B 777 7.096 25.321 23.522 1.00 21.04 C ATOM 2157 C LEU B 777 6.233 26.068 22.489 1.00 21.63 C ATOM 2158 O LEU B 777 5.030 26.281 22.715 1.00 21.77 O ATOM 2159 CB LEU B 777 7.860 26.315 24.376 1.00 20.97 C ATOM 2160 CG LEU B 777 7.027 27.143 25.321 1.00 24.29 C ATOM 2161 CD1 LEU B 777 6.500 26.266 26.489 1.00 23.05 C ATOM 2162 CD2 LEU B 777 7.856 28.290 25.958 1.00 26.13 C ATOM 0 H LEU B 777 8.843 24.485 23.019 1.00 19.39 H new ATOM 0 HA LEU B 777 6.500 24.811 24.093 1.00 21.04 H new ATOM 0 HB2 LEU B 777 8.521 25.830 24.894 1.00 20.97 H new ATOM 0 HB3 LEU B 777 8.345 26.915 23.788 1.00 20.97 H new ATOM 0 HG LEU B 777 6.297 27.509 24.798 1.00 24.29 H new ATOM 0 HD11 LEU B 777 5.967 26.811 27.088 1.00 23.05 H new ATOM 0 HD12 LEU B 777 5.954 25.548 26.134 1.00 23.05 H new ATOM 0 HD13 LEU B 777 7.250 25.891 26.976 1.00 23.05 H new ATOM 0 HD21 LEU B 777 7.292 28.802 26.559 1.00 26.13 H new ATOM 0 HD22 LEU B 777 8.600 27.915 26.455 1.00 26.13 H new ATOM 0 HD23 LEU B 777 8.195 28.871 25.259 1.00 26.13 H new ATOM 2163 N LYS B 778 6.813 26.502 21.373 1.00 19.44 N ATOM 2164 CA LYS B 778 6.012 27.191 20.359 1.00 18.67 C ATOM 2165 C LYS B 778 4.954 26.329 19.784 1.00 17.70 C ATOM 2166 O LYS B 778 3.808 26.782 19.511 1.00 20.24 O ATOM 2167 CB LYS B 778 6.937 27.779 19.282 1.00 19.69 C ATOM 2168 CG LYS B 778 7.686 28.942 19.780 1.00 21.72 C ATOM 2169 CD LYS B 778 8.833 29.313 18.815 1.00 27.86 C ATOM 2170 CE LYS B 778 9.282 30.726 19.061 1.00 38.88 C ATOM 2171 NZ LYS B 778 10.570 30.946 18.313 1.00 47.93 N ATOM 0 H LYS B 778 7.647 26.412 21.184 1.00 19.44 H new ATOM 0 HA LYS B 778 5.539 27.920 20.791 1.00 18.67 H new ATOM 0 HB2 LYS B 778 7.559 27.098 18.983 1.00 19.69 H new ATOM 0 HB3 LYS B 778 6.410 28.040 18.511 1.00 19.69 H new ATOM 0 HG2 LYS B 778 7.087 29.698 19.882 1.00 21.72 H new ATOM 0 HG3 LYS B 778 8.048 28.746 20.658 1.00 21.72 H new ATOM 0 HD2 LYS B 778 9.578 28.704 18.938 1.00 27.86 H new ATOM 0 HD3 LYS B 778 8.536 29.216 17.897 1.00 27.86 H new ATOM 0 HE2 LYS B 778 8.605 31.353 18.762 1.00 38.88 H new ATOM 0 HE3 LYS B 778 9.411 30.880 20.010 1.00 38.88 H new ATOM 0 HZ1 LYS B 778 10.853 31.779 18.447 1.00 47.93 H new ATOM 0 HZ2 LYS B 778 11.185 30.374 18.606 1.00 47.93 H new ATOM 0 HZ3 LYS B 778 10.434 30.815 17.443 1.00 47.93 H new ATOM 2172 N CYS B 779 5.204 25.031 19.586 1.00 16.02 N ATOM 2173 CA CYS B 779 4.181 24.155 19.134 1.00 17.09 C ATOM 2174 C CYS B 779 3.096 23.888 20.185 1.00 16.86 C ATOM 2175 O CYS B 779 1.889 23.798 19.812 1.00 17.46 O ATOM 2176 CB CYS B 779 4.747 22.803 18.700 1.00 18.98 C ATOM 2177 SG CYS B 779 5.719 22.891 17.172 1.00 21.42 S ATOM 0 H CYS B 779 5.968 24.658 19.714 1.00 16.02 H new ATOM 0 HA CYS B 779 3.780 24.617 18.381 1.00 17.09 H new ATOM 0 HB2 CYS B 779 5.304 22.449 19.411 1.00 18.98 H new ATOM 0 HB3 CYS B 779 4.016 22.178 18.575 1.00 18.98 H new ATOM 0 HG CYS B 779 5.053 22.506 16.251 1.00 21.42 H new ATOM 2178 N GLU B 780 3.512 23.789 21.467 1.00 16.68 N ATOM 2179 CA GLU B 780 2.536 23.695 22.566 1.00 16.07 C ATOM 2180 C GLU B 780 1.579 24.947 22.568 1.00 15.98 C ATOM 2181 O GLU B 780 0.348 24.785 22.717 1.00 15.66 O ATOM 2182 CB GLU B 780 3.200 23.563 23.919 1.00 16.70 C ATOM 2183 CG GLU B 780 3.796 22.162 24.089 1.00 17.88 C ATOM 2184 CD GLU B 780 4.907 22.026 25.114 1.00 19.87 C ATOM 2185 OE1 GLU B 780 5.383 23.095 25.598 1.00 22.94 O ATOM 2186 OE2 GLU B 780 5.316 20.817 25.471 1.00 24.76 O ATOM 0 H GLU B 780 4.336 23.775 21.712 1.00 16.68 H new ATOM 0 HA GLU B 780 2.019 22.889 22.410 1.00 16.07 H new ATOM 0 HB2 GLU B 780 3.898 24.231 24.009 1.00 16.70 H new ATOM 0 HB3 GLU B 780 2.553 23.733 24.621 1.00 16.70 H new ATOM 0 HG2 GLU B 780 3.081 21.554 24.332 1.00 17.88 H new ATOM 0 HG3 GLU B 780 4.137 21.869 23.229 1.00 17.88 H new ATOM 2187 N PHE B 781 2.162 26.118 22.370 1.00 15.75 N ATOM 2188 CA PHE B 781 1.379 27.369 22.353 1.00 17.56 C ATOM 2189 C PHE B 781 0.453 27.379 21.184 1.00 16.72 C ATOM 2190 O PHE B 781 -0.761 27.752 21.260 1.00 16.21 O ATOM 2191 CB PHE B 781 2.321 28.536 22.364 1.00 19.18 C ATOM 2192 CG PHE B 781 1.648 29.864 22.465 1.00 18.42 C ATOM 2193 CD1 PHE B 781 0.756 30.103 23.508 1.00 20.43 C ATOM 2194 CD2 PHE B 781 2.020 30.906 21.611 1.00 21.47 C ATOM 2195 CE1 PHE B 781 0.108 31.381 23.645 1.00 21.80 C ATOM 2196 CE2 PHE B 781 1.422 32.160 21.758 1.00 22.81 C ATOM 2197 CZ PHE B 781 0.486 32.398 22.782 1.00 22.15 C ATOM 0 H PHE B 781 3.006 26.222 22.243 1.00 15.75 H new ATOM 0 HA PHE B 781 0.822 27.434 23.145 1.00 17.56 H new ATOM 0 HB2 PHE B 781 2.933 28.437 23.110 1.00 19.18 H new ATOM 0 HB3 PHE B 781 2.855 28.516 21.554 1.00 19.18 H new ATOM 0 HD1 PHE B 781 0.577 29.429 24.123 1.00 20.43 H new ATOM 0 HD2 PHE B 781 2.660 30.766 20.951 1.00 21.47 H new ATOM 0 HE1 PHE B 781 -0.545 31.520 24.293 1.00 21.80 H new ATOM 0 HE2 PHE B 781 1.645 32.846 21.172 1.00 22.81 H new ATOM 0 HZ PHE B 781 0.117 33.246 22.881 1.00 22.15 H new ATOM 2198 N LEU B 782 0.955 26.990 20.004 1.00 16.53 N ATOM 2199 CA LEU B 782 0.111 26.863 18.872 1.00 18.34 C ATOM 2200 C LEU B 782 -1.080 25.940 19.038 1.00 20.46 C ATOM 2201 O LEU B 782 -2.241 26.232 18.614 1.00 20.03 O ATOM 2202 CB LEU B 782 0.959 26.506 17.598 1.00 19.36 C ATOM 2203 CG LEU B 782 0.304 26.264 16.306 1.00 22.67 C ATOM 2204 CD1 LEU B 782 -0.639 27.396 15.878 1.00 25.31 C ATOM 2205 CD2 LEU B 782 1.398 26.078 15.248 1.00 22.98 C ATOM 0 H LEU B 782 1.782 26.801 19.864 1.00 16.53 H new ATOM 0 HA LEU B 782 -0.297 27.736 18.758 1.00 18.34 H new ATOM 0 HB2 LEU B 782 1.593 27.228 17.466 1.00 19.36 H new ATOM 0 HB3 LEU B 782 1.473 25.712 17.811 1.00 19.36 H new ATOM 0 HG LEU B 782 -0.248 25.472 16.397 1.00 22.67 H new ATOM 0 HD11 LEU B 782 -1.039 27.178 15.021 1.00 25.31 H new ATOM 0 HD12 LEU B 782 -1.338 27.504 16.542 1.00 25.31 H new ATOM 0 HD13 LEU B 782 -0.138 28.223 15.799 1.00 25.31 H new ATOM 0 HD21 LEU B 782 0.988 25.916 14.384 1.00 22.98 H new ATOM 0 HD22 LEU B 782 1.944 26.879 15.202 1.00 22.98 H new ATOM 0 HD23 LEU B 782 1.955 25.321 15.488 1.00 22.98 H new ATOM 2206 N LEU B 783 -0.832 24.787 19.645 1.00 17.92 N ATOM 2207 CA LEU B 783 -1.908 23.810 19.831 1.00 16.39 C ATOM 2208 C LEU B 783 -2.928 24.469 20.824 1.00 15.70 C ATOM 2209 O LEU B 783 -4.181 24.341 20.650 1.00 15.79 O ATOM 2210 CB LEU B 783 -1.333 22.510 20.474 1.00 15.91 C ATOM 2211 CG LEU B 783 -2.333 21.431 20.803 1.00 16.86 C ATOM 2212 CD1 LEU B 783 -3.216 21.070 19.609 1.00 17.43 C ATOM 2213 CD2 LEU B 783 -1.627 20.189 21.341 1.00 19.01 C ATOM 0 H LEU B 783 -0.065 24.550 19.953 1.00 17.92 H new ATOM 0 HA LEU B 783 -2.324 23.577 18.987 1.00 16.39 H new ATOM 0 HB2 LEU B 783 -0.671 22.138 19.870 1.00 15.91 H new ATOM 0 HB3 LEU B 783 -0.868 22.753 21.290 1.00 15.91 H new ATOM 0 HG LEU B 783 -2.916 21.787 21.492 1.00 16.86 H new ATOM 0 HD11 LEU B 783 -3.841 20.375 19.867 1.00 17.43 H new ATOM 0 HD12 LEU B 783 -3.707 21.855 19.321 1.00 17.43 H new ATOM 0 HD13 LEU B 783 -2.661 20.751 18.880 1.00 17.43 H new ATOM 0 HD21 LEU B 783 -2.285 19.506 21.547 1.00 19.01 H new ATOM 0 HD22 LEU B 783 -1.010 19.852 20.672 1.00 19.01 H new ATOM 0 HD23 LEU B 783 -1.137 20.418 22.146 1.00 19.01 H new ATOM 2214 N LEU B 784 -2.383 25.120 21.846 1.00 17.06 N ATOM 2215 CA LEU B 784 -3.294 25.813 22.875 1.00 17.25 C ATOM 2216 C LEU B 784 -4.151 26.900 22.207 1.00 16.87 C ATOM 2217 O LEU B 784 -5.326 27.028 22.508 1.00 17.93 O ATOM 2218 CB LEU B 784 -2.527 26.364 24.010 1.00 17.18 C ATOM 2219 CG LEU B 784 -3.364 27.143 25.055 1.00 19.70 C ATOM 2220 CD1 LEU B 784 -2.796 26.919 26.440 1.00 19.61 C ATOM 2221 CD2 LEU B 784 -3.391 28.657 24.801 1.00 22.31 C ATOM 0 H LEU B 784 -1.539 25.193 21.992 1.00 17.06 H new ATOM 0 HA LEU B 784 -3.889 25.136 23.234 1.00 17.25 H new ATOM 0 HB2 LEU B 784 -2.073 25.634 24.460 1.00 17.18 H new ATOM 0 HB3 LEU B 784 -1.840 26.954 23.662 1.00 17.18 H new ATOM 0 HG LEU B 784 -4.270 26.805 24.979 1.00 19.70 H new ATOM 0 HD11 LEU B 784 -3.324 27.409 27.090 1.00 19.61 H new ATOM 0 HD12 LEU B 784 -2.821 25.973 26.651 1.00 19.61 H new ATOM 0 HD13 LEU B 784 -1.878 27.232 26.468 1.00 19.61 H new ATOM 0 HD21 LEU B 784 -3.927 29.090 25.483 1.00 22.31 H new ATOM 0 HD22 LEU B 784 -2.487 29.006 24.831 1.00 22.31 H new ATOM 0 HD23 LEU B 784 -3.776 28.832 23.928 1.00 22.31 H new ATOM 2222 N LYS B 785 -3.632 27.616 21.214 1.00 17.62 N ATOM 2223 CA LYS B 785 -4.457 28.659 20.456 1.00 19.30 C ATOM 2224 C LYS B 785 -5.589 28.014 19.744 1.00 19.51 C ATOM 2225 O LYS B 785 -6.646 28.624 19.630 1.00 18.96 O ATOM 2226 CB LYS B 785 -3.606 29.529 19.530 1.00 20.30 C ATOM 2227 CG LYS B 785 -2.615 30.414 20.248 1.00 23.16 C ATOM 2228 CD LYS B 785 -3.098 31.426 21.259 1.00 28.39 C ATOM 2229 CE LYS B 785 -4.128 32.381 20.731 1.00 34.66 C ATOM 2230 NZ LYS B 785 -3.531 33.457 19.940 1.00 39.93 N ATOM 0 H LYS B 785 -2.820 27.540 20.942 1.00 17.62 H new ATOM 0 HA LYS B 785 -4.828 29.268 21.113 1.00 19.30 H new ATOM 0 HB2 LYS B 785 -3.124 28.954 18.915 1.00 20.30 H new ATOM 0 HB3 LYS B 785 -4.194 30.086 18.996 1.00 20.30 H new ATOM 0 HG2 LYS B 785 -1.985 29.832 20.701 1.00 23.16 H new ATOM 0 HG3 LYS B 785 -2.118 30.898 19.571 1.00 23.16 H new ATOM 0 HD2 LYS B 785 -3.469 30.955 22.021 1.00 28.39 H new ATOM 0 HD3 LYS B 785 -2.337 31.933 21.582 1.00 28.39 H new ATOM 0 HE2 LYS B 785 -4.766 31.896 20.185 1.00 34.66 H new ATOM 0 HE3 LYS B 785 -4.622 32.763 21.473 1.00 34.66 H new ATOM 0 HZ1 LYS B 785 -4.130 34.103 19.818 1.00 39.93 H new ATOM 0 HZ2 LYS B 785 -2.825 33.786 20.371 1.00 39.93 H new ATOM 0 HZ3 LYS B 785 -3.274 33.138 19.150 1.00 39.93 H new ATOM 2231 N VAL B 786 -5.423 26.818 19.166 1.00 17.81 N ATOM 2232 CA VAL B 786 -6.508 26.117 18.547 1.00 18.72 C ATOM 2233 C VAL B 786 -7.581 25.733 19.575 1.00 18.93 C ATOM 2234 O VAL B 786 -8.804 25.932 19.322 1.00 18.46 O ATOM 2235 CB VAL B 786 -6.051 24.919 17.728 1.00 20.12 C ATOM 2236 CG1 VAL B 786 -7.186 24.097 17.154 1.00 19.10 C ATOM 2237 CG2 VAL B 786 -5.085 25.387 16.622 1.00 21.70 C ATOM 0 H VAL B 786 -4.670 26.404 19.131 1.00 17.81 H new ATOM 0 HA VAL B 786 -6.911 26.732 17.914 1.00 18.72 H new ATOM 0 HB VAL B 786 -5.590 24.321 18.337 1.00 20.12 H new ATOM 0 HG11 VAL B 786 -6.823 23.354 16.647 1.00 19.10 H new ATOM 0 HG12 VAL B 786 -7.737 23.757 17.876 1.00 19.10 H new ATOM 0 HG13 VAL B 786 -7.726 24.653 16.571 1.00 19.10 H new ATOM 0 HG21 VAL B 786 -4.795 24.622 16.101 1.00 21.70 H new ATOM 0 HG22 VAL B 786 -5.538 26.019 16.043 1.00 21.70 H new ATOM 0 HG23 VAL B 786 -4.313 25.814 17.026 1.00 21.70 H new ATOM 2238 N TYR B 787 -7.159 25.132 20.691 1.00 16.23 N ATOM 2239 CA TYR B 787 -8.118 24.784 21.765 1.00 16.65 C ATOM 2240 C TYR B 787 -8.899 26.009 22.289 1.00 16.89 C ATOM 2241 O TYR B 787 -10.065 25.814 22.811 1.00 21.06 O ATOM 2242 CB TYR B 787 -7.392 24.047 22.920 1.00 18.32 C ATOM 2243 CG TYR B 787 -7.169 22.569 22.745 1.00 18.73 C ATOM 2244 CD1 TYR B 787 -8.142 21.645 22.978 1.00 18.70 C ATOM 2245 CD2 TYR B 787 -5.917 22.045 22.438 1.00 19.42 C ATOM 2246 CE1 TYR B 787 -7.936 20.258 22.912 1.00 19.98 C ATOM 2247 CE2 TYR B 787 -5.715 20.719 22.397 1.00 19.06 C ATOM 2248 CZ TYR B 787 -6.684 19.803 22.608 1.00 20.07 C ATOM 2249 OH TYR B 787 -6.395 18.463 22.582 1.00 19.26 O ATOM 0 H TYR B 787 -6.341 24.918 20.851 1.00 16.23 H new ATOM 0 HA TYR B 787 -8.777 24.187 21.377 1.00 16.65 H new ATOM 0 HB2 TYR B 787 -6.529 24.470 23.054 1.00 18.32 H new ATOM 0 HB3 TYR B 787 -7.903 24.182 23.733 1.00 18.32 H new ATOM 0 HD1 TYR B 787 -8.993 21.951 23.194 1.00 18.70 H new ATOM 0 HD2 TYR B 787 -5.210 22.622 22.259 1.00 19.42 H new ATOM 0 HE1 TYR B 787 -8.634 19.664 23.071 1.00 19.98 H new ATOM 0 HE2 TYR B 787 -4.856 20.413 22.212 1.00 19.06 H new ATOM 0 HH TYR B 787 -6.984 18.041 23.007 1.00 19.26 H new ATOM 2250 N CYS B 788 -8.275 27.181 22.277 1.00 15.31 N ATOM 2251 CA CYS B 788 -8.980 28.437 22.697 1.00 18.62 C ATOM 2252 C CYS B 788 -10.224 28.746 21.879 1.00 22.09 C ATOM 2253 O CYS B 788 -11.133 29.419 22.367 1.00 24.95 O ATOM 2254 CB CYS B 788 -8.072 29.653 22.703 1.00 19.71 C ATOM 2255 SG CYS B 788 -6.796 29.636 23.975 1.00 23.24 S ATOM 0 H CYS B 788 -7.457 27.291 22.037 1.00 15.31 H new ATOM 0 HA CYS B 788 -9.260 28.250 23.607 1.00 18.62 H new ATOM 0 HB2 CYS B 788 -7.645 29.727 21.835 1.00 19.71 H new ATOM 0 HB3 CYS B 788 -8.617 30.447 22.819 1.00 19.71 H new ATOM 0 HG CYS B 788 -6.033 28.734 23.765 1.00 23.24 H new ATOM 2256 N ASP B 789 -10.295 28.277 20.653 1.00 20.06 N ATOM 2257 CA ASP B 789 -11.509 28.453 19.851 1.00 20.35 C ATOM 2258 C ASP B 789 -12.595 27.522 20.245 1.00 22.03 C ATOM 2259 O ASP B 789 -12.363 26.352 20.376 1.00 21.00 O ATOM 2260 CB ASP B 789 -11.188 28.326 18.357 1.00 22.37 C ATOM 2261 CG ASP B 789 -12.339 28.956 17.500 1.00 27.33 C ATOM 2262 OD1 ASP B 789 -13.419 28.352 17.418 1.00 28.23 O ATOM 2263 OD2 ASP B 789 -12.166 30.131 17.145 1.00 31.28 O ATOM 0 H ASP B 789 -9.660 27.853 20.258 1.00 20.06 H new ATOM 0 HA ASP B 789 -11.839 29.348 20.025 1.00 20.35 H new ATOM 0 HB2 ASP B 789 -10.349 28.771 18.161 1.00 22.37 H new ATOM 0 HB3 ASP B 789 -11.075 27.392 18.122 1.00 22.37 H new ATOM 2264 N SER B 790 -13.870 27.976 20.421 1.00 23.41 N ATOM 2265 CA SER B 790 -14.853 27.046 20.941 1.00 23.19 C ATOM 2266 C SER B 790 -15.161 25.933 19.903 1.00 22.84 C ATOM 2267 O SER B 790 -15.590 24.850 20.272 1.00 23.63 O ATOM 2268 CB SER B 790 -16.168 27.774 21.299 1.00 29.01 C ATOM 2269 OG SER B 790 -16.556 28.415 20.074 1.00 34.85 O ATOM 0 H SER B 790 -14.151 28.771 20.251 1.00 23.41 H new ATOM 0 HA SER B 790 -14.479 26.647 21.742 1.00 23.19 H new ATOM 0 HB2 SER B 790 -16.846 27.152 21.604 1.00 29.01 H new ATOM 0 HB3 SER B 790 -16.034 28.419 22.011 1.00 29.01 H new ATOM 0 HG SER B 790 -16.583 29.247 20.189 1.00 34.85 H new ATOM 2270 N LYS B 791 -14.917 26.170 18.605 1.00 20.47 N ATOM 2271 CA LYS B 791 -15.194 25.169 17.589 1.00 21.78 C ATOM 2272 C LYS B 791 -14.170 24.029 17.617 1.00 20.98 C ATOM 2273 O LYS B 791 -14.350 22.971 17.003 1.00 22.01 O ATOM 2274 CB LYS B 791 -15.097 25.845 16.226 1.00 23.63 C ATOM 2275 CG LYS B 791 -16.310 26.780 15.870 1.00 26.70 C ATOM 2276 CD LYS B 791 -15.919 27.806 14.770 1.00 32.04 C ATOM 2277 CE LYS B 791 -17.082 28.760 14.445 1.00 33.98 C ATOM 2278 NZ LYS B 791 -18.251 28.097 13.793 1.00 35.94 N ATOM 0 H LYS B 791 -14.592 26.906 18.302 1.00 20.47 H new ATOM 0 HA LYS B 791 -16.074 24.798 17.757 1.00 21.78 H new ATOM 0 HB2 LYS B 791 -14.281 26.368 16.195 1.00 23.63 H new ATOM 0 HB3 LYS B 791 -15.021 25.160 15.543 1.00 23.63 H new ATOM 0 HG2 LYS B 791 -17.058 26.243 15.565 1.00 26.70 H new ATOM 0 HG3 LYS B 791 -16.604 27.250 16.666 1.00 26.70 H new ATOM 0 HD2 LYS B 791 -15.151 28.320 15.064 1.00 32.04 H new ATOM 0 HD3 LYS B 791 -15.653 27.333 13.966 1.00 32.04 H new ATOM 0 HE2 LYS B 791 -17.379 29.184 15.266 1.00 33.98 H new ATOM 0 HE3 LYS B 791 -16.757 29.465 13.864 1.00 33.98 H new ATOM 0 HZ1 LYS B 791 -18.878 28.704 13.620 1.00 35.94 H new ATOM 0 HZ2 LYS B 791 -17.990 27.715 13.032 1.00 35.94 H new ATOM 0 HZ3 LYS B 791 -18.582 27.476 14.338 1.00 35.94 H new ATOM 2279 N SER B 792 -13.086 24.239 18.358 1.00 22.03 N ATOM 2280 CA SER B 792 -12.153 23.098 18.603 1.00 19.67 C ATOM 2281 C SER B 792 -12.823 21.836 19.166 1.00 23.08 C ATOM 2282 O SER B 792 -12.268 20.720 19.024 1.00 21.76 O ATOM 2283 CB SER B 792 -10.978 23.524 19.469 1.00 21.04 C ATOM 2284 OG SER B 792 -11.369 23.800 20.805 1.00 19.46 O ATOM 0 H SER B 792 -12.865 24.988 18.719 1.00 22.03 H new ATOM 0 HA SER B 792 -11.826 22.846 17.725 1.00 19.67 H new ATOM 0 HB2 SER B 792 -10.307 22.823 19.468 1.00 21.04 H new ATOM 0 HB3 SER B 792 -10.565 24.313 19.085 1.00 21.04 H new ATOM 0 HG SER B 792 -11.703 24.570 20.846 1.00 19.46 H new ATOM 2285 N CYS B 793 -14.009 21.971 19.794 1.00 22.93 N ATOM 2286 CA CYS B 793 -14.672 20.841 20.403 1.00 25.17 C ATOM 2287 C CYS B 793 -14.932 19.723 19.399 1.00 23.89 C ATOM 2288 O CYS B 793 -14.814 18.554 19.773 1.00 25.30 O ATOM 2289 CB CYS B 793 -15.968 21.283 21.151 1.00 30.34 C ATOM 2290 SG CYS B 793 -17.274 21.879 20.054 1.00 30.05 S ATOM 0 H CYS B 793 -14.432 22.716 19.869 1.00 22.93 H new ATOM 0 HA CYS B 793 -14.071 20.472 21.069 1.00 25.17 H new ATOM 0 HB2 CYS B 793 -16.306 20.534 21.666 1.00 30.34 H new ATOM 0 HB3 CYS B 793 -15.744 21.983 21.784 1.00 30.34 H new ATOM 0 HG CYS B 793 -17.093 23.040 19.810 1.00 30.05 H new ATOM 2291 N PHE B 794 -15.182 20.081 18.109 1.00 19.82 N ATOM 2292 CA PHE B 794 -15.484 19.146 17.114 1.00 18.13 C ATOM 2293 C PHE B 794 -14.294 18.251 16.763 1.00 20.33 C ATOM 2294 O PHE B 794 -14.488 17.195 16.189 1.00 22.57 O ATOM 2295 CB PHE B 794 -16.001 19.785 15.841 1.00 21.91 C ATOM 2296 CG PHE B 794 -17.344 20.530 16.025 1.00 20.35 C ATOM 2297 CD1 PHE B 794 -18.469 19.801 16.314 1.00 20.99 C ATOM 2298 CD2 PHE B 794 -17.405 21.904 15.941 1.00 21.30 C ATOM 2299 CE1 PHE B 794 -19.713 20.447 16.476 1.00 20.93 C ATOM 2300 CE2 PHE B 794 -18.641 22.588 16.112 1.00 23.05 C ATOM 2301 CZ PHE B 794 -19.791 21.829 16.384 1.00 20.60 C ATOM 0 H PHE B 794 -15.169 20.895 17.832 1.00 19.82 H new ATOM 0 HA PHE B 794 -16.188 18.601 17.500 1.00 18.13 H new ATOM 0 HB2 PHE B 794 -15.337 20.408 15.508 1.00 21.91 H new ATOM 0 HB3 PHE B 794 -16.110 19.099 15.164 1.00 21.91 H new ATOM 0 HD1 PHE B 794 -18.412 18.877 16.404 1.00 20.99 H new ATOM 0 HD2 PHE B 794 -16.630 22.389 15.771 1.00 21.30 H new ATOM 0 HE1 PHE B 794 -20.479 19.947 16.644 1.00 20.93 H new ATOM 0 HE2 PHE B 794 -18.686 23.515 16.045 1.00 23.05 H new ATOM 0 HZ PHE B 794 -20.609 22.255 16.503 1.00 20.60 H new ATOM 2302 N PHE B 795 -13.108 18.752 17.072 1.00 21.35 N ATOM 2303 CA PHE B 795 -11.856 18.137 16.614 1.00 18.57 C ATOM 2304 C PHE B 795 -11.039 17.552 17.768 1.00 21.17 C ATOM 2305 O PHE B 795 -9.942 17.060 17.505 1.00 21.16 O ATOM 2306 CB PHE B 795 -11.062 19.188 15.911 1.00 19.54 C ATOM 2307 CG PHE B 795 -11.795 19.751 14.699 1.00 20.73 C ATOM 2308 CD1 PHE B 795 -11.931 18.953 13.554 1.00 20.18 C ATOM 2309 CD2 PHE B 795 -12.383 20.990 14.741 1.00 22.41 C ATOM 2310 CE1 PHE B 795 -12.631 19.411 12.445 1.00 22.37 C ATOM 2311 CE2 PHE B 795 -13.124 21.437 13.629 1.00 22.80 C ATOM 2312 CZ PHE B 795 -13.253 20.628 12.500 1.00 21.46 C ATOM 0 H PHE B 795 -12.999 19.457 17.552 1.00 21.35 H new ATOM 0 HA PHE B 795 -12.068 17.399 16.021 1.00 18.57 H new ATOM 0 HB2 PHE B 795 -10.863 19.908 16.530 1.00 19.54 H new ATOM 0 HB3 PHE B 795 -10.213 18.814 15.628 1.00 19.54 H new ATOM 0 HD1 PHE B 795 -11.547 18.106 13.537 1.00 20.18 H new ATOM 0 HD2 PHE B 795 -12.294 21.528 15.494 1.00 22.41 H new ATOM 0 HE1 PHE B 795 -12.676 18.895 11.673 1.00 22.37 H new ATOM 0 HE2 PHE B 795 -13.528 22.274 13.648 1.00 22.80 H new ATOM 0 HZ PHE B 795 -13.765 20.918 11.780 1.00 21.46 H new ATOM 2313 N ALA B 796 -11.531 17.634 19.001 1.00 20.95 N ATOM 2314 CA ALA B 796 -10.735 17.247 20.207 1.00 22.12 C ATOM 2315 C ALA B 796 -10.587 15.779 20.404 1.00 19.55 C ATOM 2316 O ALA B 796 -9.485 15.314 20.683 1.00 21.60 O ATOM 2317 CB ALA B 796 -11.303 17.909 21.484 1.00 22.68 C ATOM 0 H ALA B 796 -12.326 17.911 19.179 1.00 20.95 H new ATOM 0 HA ALA B 796 -9.841 17.582 20.037 1.00 22.12 H new ATOM 0 HB1 ALA B 796 -10.771 17.643 22.250 1.00 22.68 H new ATOM 0 HB2 ALA B 796 -11.273 18.874 21.389 1.00 22.68 H new ATOM 0 HB3 ALA B 796 -12.221 17.626 21.615 1.00 22.68 H new ATOM 2318 N SER B 797 -11.684 15.010 20.300 1.00 22.01 N ATOM 2319 CA SER B 797 -11.745 13.595 20.589 1.00 24.41 C ATOM 2320 C SER B 797 -11.743 12.764 19.312 1.00 23.99 C ATOM 2321 O SER B 797 -11.899 13.311 18.192 1.00 22.81 O ATOM 2322 CB SER B 797 -13.023 13.280 21.419 1.00 28.81 C ATOM 2323 OG SER B 797 -12.911 13.928 22.645 1.00 34.75 O ATOM 0 H SER B 797 -12.441 15.328 20.046 1.00 22.01 H new ATOM 0 HA SER B 797 -10.955 13.360 21.101 1.00 24.41 H new ATOM 0 HB2 SER B 797 -13.816 13.581 20.948 1.00 28.81 H new ATOM 0 HB3 SER B 797 -13.116 12.323 21.549 1.00 28.81 H new ATOM 0 HG SER B 797 -13.594 13.771 23.108 1.00 34.75 H new ATOM 2324 N GLU B 798 -11.612 11.449 19.478 1.00 24.59 N ATOM 2325 CA GLU B 798 -11.510 10.517 18.372 1.00 26.20 C ATOM 2326 C GLU B 798 -12.827 10.560 17.586 1.00 32.54 C ATOM 2327 O GLU B 798 -13.919 10.403 18.176 1.00 33.31 O ATOM 2328 CB GLU B 798 -11.321 9.116 18.861 1.00 31.99 C ATOM 2329 CG GLU B 798 -11.067 8.093 17.764 1.00 38.66 C ATOM 2330 CD GLU B 798 -10.619 6.744 18.333 1.00 42.92 C ATOM 2331 OE1 GLU B 798 -10.121 5.940 17.560 1.00 54.48 O ATOM 2332 OE2 GLU B 798 -10.742 6.484 19.544 1.00 47.46 O ATOM 0 H GLU B 798 -11.580 11.073 20.251 1.00 24.59 H new ATOM 0 HA GLU B 798 -10.750 10.769 17.825 1.00 26.20 H new ATOM 0 HB2 GLU B 798 -10.575 9.100 19.481 1.00 31.99 H new ATOM 0 HB3 GLU B 798 -12.110 8.850 19.359 1.00 31.99 H new ATOM 0 HG2 GLU B 798 -11.876 7.971 17.243 1.00 38.66 H new ATOM 0 HG3 GLU B 798 -10.388 8.430 17.159 1.00 38.66 H new ATOM 2333 N PRO B 799 -12.750 10.861 16.295 1.00 34.07 N ATOM 2334 CA PRO B 799 -14.006 10.955 15.591 1.00 39.85 C ATOM 2335 C PRO B 799 -14.621 9.590 15.336 1.00 41.85 C ATOM 2336 O PRO B 799 -13.920 8.554 15.240 1.00 37.87 O ATOM 2337 CB PRO B 799 -13.642 11.666 14.270 1.00 42.21 C ATOM 2338 CG PRO B 799 -12.210 11.513 14.114 1.00 38.90 C ATOM 2339 CD PRO B 799 -11.602 11.206 15.463 1.00 37.27 C ATOM 0 HA PRO B 799 -14.676 11.436 16.102 1.00 39.85 H new ATOM 0 HB2 PRO B 799 -14.117 11.272 13.522 1.00 42.21 H new ATOM 0 HB3 PRO B 799 -13.890 12.603 14.301 1.00 42.21 H new ATOM 0 HG2 PRO B 799 -12.015 10.799 13.488 1.00 38.90 H new ATOM 0 HG3 PRO B 799 -11.824 12.324 13.748 1.00 38.90 H new ATOM 0 HD2 PRO B 799 -10.969 10.473 15.409 1.00 37.27 H new ATOM 0 HD3 PRO B 799 -11.122 11.970 15.819 1.00 37.27 H new ATOM 2340 N TYR B 800 -15.945 9.621 15.275 1.00 49.49 N ATOM 2341 CA TYR B 800 -16.728 8.497 14.788 1.00 59.80 C ATOM 2342 C TYR B 800 -16.978 8.704 13.281 1.00 59.88 C ATOM 2343 O TYR B 800 -17.403 9.799 12.845 1.00 64.89 O ATOM 2344 CB TYR B 800 -18.057 8.464 15.507 1.00 61.25 C ATOM 2345 CG TYR B 800 -18.888 7.327 15.046 1.00 76.57 C ATOM 2346 CD1 TYR B 800 -18.499 6.023 15.328 1.00 84.96 C ATOM 2347 CD2 TYR B 800 -20.057 7.538 14.305 1.00 85.32 C ATOM 2348 CE1 TYR B 800 -19.253 4.953 14.904 1.00 90.50 C ATOM 2349 CE2 TYR B 800 -20.823 6.470 13.867 1.00 92.07 C ATOM 2350 CZ TYR B 800 -20.411 5.176 14.172 1.00 97.62 C ATOM 2351 OH TYR B 800 -21.151 4.102 13.758 1.00104.99 O ATOM 0 H TYR B 800 -16.417 10.299 15.516 1.00 49.49 H new ATOM 0 HA TYR B 800 -16.255 7.665 14.945 1.00 59.80 H new ATOM 0 HB2 TYR B 800 -17.909 8.393 16.463 1.00 61.25 H new ATOM 0 HB3 TYR B 800 -18.531 9.297 15.355 1.00 61.25 H new ATOM 0 HD1 TYR B 800 -17.718 5.871 15.810 1.00 84.96 H new ATOM 0 HD2 TYR B 800 -20.323 8.406 14.104 1.00 85.32 H new ATOM 0 HE1 TYR B 800 -18.988 4.085 15.107 1.00 90.50 H new ATOM 0 HE2 TYR B 800 -21.600 6.615 13.377 1.00 92.07 H new ATOM 0 HH TYR B 800 -21.821 4.372 13.329 1.00104.99 H new ATOM 2352 N TYR B 801 -16.712 7.682 12.483 1.00 51.64 N ATOM 2353 CA TYR B 801 -16.979 7.786 11.051 1.00 54.78 C ATOM 2354 C TYR B 801 -18.057 6.748 10.588 1.00 58.96 C ATOM 2355 O TYR B 801 -19.268 7.007 10.720 1.00 55.82 O ATOM 2356 CB TYR B 801 -15.672 7.679 10.270 1.00 45.83 C ATOM 2357 CG TYR B 801 -14.748 8.839 10.413 1.00 39.80 C ATOM 2358 CD1 TYR B 801 -15.178 10.151 10.221 1.00 35.47 C ATOM 2359 CD2 TYR B 801 -13.417 8.625 10.734 1.00 45.04 C ATOM 2360 CE1 TYR B 801 -14.311 11.204 10.323 1.00 32.32 C ATOM 2361 CE2 TYR B 801 -12.541 9.705 10.863 1.00 41.90 C ATOM 2362 CZ TYR B 801 -13.018 10.972 10.631 1.00 32.76 C ATOM 2363 OH TYR B 801 -12.143 11.983 10.768 1.00 38.07 O ATOM 0 H TYR B 801 -16.383 6.931 12.741 1.00 51.64 H new ATOM 0 HA TYR B 801 -17.360 8.658 10.863 1.00 54.78 H new ATOM 0 HB2 TYR B 801 -15.207 6.877 10.555 1.00 45.83 H new ATOM 0 HB3 TYR B 801 -15.882 7.566 9.330 1.00 45.83 H new ATOM 0 HD1 TYR B 801 -16.071 10.313 10.020 1.00 35.47 H new ATOM 0 HD2 TYR B 801 -13.106 7.758 10.864 1.00 45.04 H new ATOM 0 HE1 TYR B 801 -14.610 12.073 10.181 1.00 32.32 H new ATOM 0 HE2 TYR B 801 -11.652 9.569 11.101 1.00 41.90 H new ATOM 0 HH TYR B 801 -12.472 12.573 11.268 1.00 38.07 H new ATOM 2364 N ASN B 802 -17.584 5.606 10.076 1.00 64.89 N ATOM 2365 CA ASN B 802 -18.369 4.497 9.540 1.00 67.15 C ATOM 2366 C ASN B 802 -18.003 3.299 10.440 1.00 76.34 C ATOM 2367 O ASN B 802 -17.091 2.547 10.088 1.00 91.78 O ATOM 2368 CB ASN B 802 -17.913 4.153 8.075 1.00 61.35 C ATOM 2369 CG ASN B 802 -17.909 5.362 7.101 1.00 45.40 C ATOM 2370 OD1 ASN B 802 -18.924 5.950 6.872 1.00 38.95 O ATOM 2371 ND2 ASN B 802 -16.763 5.671 6.485 1.00 43.03 N ATOM 0 H ASN B 802 -16.739 5.453 10.032 1.00 64.89 H new ATOM 0 HA ASN B 802 -19.316 4.707 9.523 1.00 67.15 H new ATOM 0 HB2 ASN B 802 -17.020 3.775 8.107 1.00 61.35 H new ATOM 0 HB3 ASN B 802 -18.499 3.467 7.719 1.00 61.35 H new ATOM 0 HD21 ASN B 802 -16.744 6.308 5.907 1.00 43.03 H new ATOM 0 HD22 ASN B 802 -16.045 5.233 6.667 1.00 43.03 H new ATOM 2372 N ARG B 803 -18.640 3.132 11.602 1.00 94.08 N ATOM 2373 CA ARG B 803 -18.242 2.034 12.517 1.00107.94 C ATOM 2374 C ARG B 803 -18.579 0.680 11.890 1.00108.42 C ATOM 2375 O ARG B 803 -19.656 0.546 11.330 1.00104.28 O ATOM 2376 CB ARG B 803 -18.928 2.102 13.878 1.00108.06 C ATOM 0 H ARG B 803 -19.288 3.624 11.881 1.00 94.08 H new ATOM 0 HA ARG B 803 -17.287 2.136 12.654 1.00107.94 H new ATOM 2377 N GLU B 804 -17.676 -0.304 11.914 1.00120.33 N ATOM 2378 CA GLU B 804 -16.243 -0.144 12.199 1.00118.50 C ATOM 2379 C GLU B 804 -15.492 -0.750 11.009 1.00118.53 C ATOM 2380 O GLU B 804 -15.183 -0.021 10.056 1.00127.00 O ATOM 2381 CB GLU B 804 -15.856 -0.772 13.549 1.00108.47 C ATOM 0 H GLU B 804 -17.891 -1.122 11.757 1.00120.33 H new ATOM 0 HA GLU B 804 -16.004 0.791 12.294 1.00118.50 H new ATOM 2382 N GLY B 805 -15.235 -2.063 11.028 1.00113.23 N ATOM 2383 CA GLY B 805 -14.379 -2.692 10.022 1.00108.81 C ATOM 2384 C GLY B 805 -13.104 -1.883 9.801 1.00116.68 C ATOM 2385 O GLY B 805 -12.554 -1.305 10.750 1.00129.21 O ATOM 0 H GLY B 805 -15.549 -2.605 11.617 1.00113.23 H new ATOM 0 HA2 GLY B 805 -14.150 -3.591 10.305 1.00108.81 H new ATOM 0 HA3 GLY B 805 -14.864 -2.772 9.186 1.00108.81 H new ATOM 2386 N SER B 806 -12.649 -1.830 8.549 1.00119.20 N ATOM 2387 CA SER B 806 -11.522 -0.979 8.135 1.00108.94 C ATOM 2388 C SER B 806 -11.964 0.321 7.401 1.00105.61 C ATOM 2389 O SER B 806 -11.108 1.003 6.819 1.00109.08 O ATOM 2390 CB SER B 806 -10.543 -1.790 7.261 1.00100.17 C ATOM 0 H SER B 806 -12.987 -2.291 7.906 1.00119.20 H new ATOM 0 HA SER B 806 -11.077 -0.690 8.947 1.00108.94 H new ATOM 2391 N GLN B 807 -13.253 0.704 7.475 1.00 94.11 N ATOM 2392 CA GLN B 807 -13.783 1.871 6.707 1.00 84.94 C ATOM 2393 C GLN B 807 -13.447 3.288 7.298 1.00 66.37 C ATOM 2394 O GLN B 807 -14.072 4.284 6.925 1.00 58.12 O ATOM 2395 CB GLN B 807 -15.305 1.704 6.445 1.00 80.59 C ATOM 0 H GLN B 807 -13.841 0.307 7.961 1.00 94.11 H new ATOM 0 HA GLN B 807 -13.303 1.856 5.864 1.00 84.94 H new ATOM 2396 N GLY B 808 -12.492 3.373 8.233 1.00 57.01 N ATOM 2397 CA GLY B 808 -11.892 4.647 8.627 1.00 49.74 C ATOM 2398 C GLY B 808 -10.855 5.174 7.604 1.00 45.82 C ATOM 2399 O GLY B 808 -10.433 4.465 6.657 1.00 41.84 O ATOM 0 H GLY B 808 -12.177 2.692 8.654 1.00 57.01 H new ATOM 0 HA2 GLY B 808 -12.593 5.308 8.738 1.00 49.74 H new ATOM 0 HA3 GLY B 808 -11.462 4.542 9.490 1.00 49.74 H new ATOM 2400 N PRO B 809 -10.412 6.425 7.805 1.00 38.60 N ATOM 2401 CA PRO B 809 -9.440 6.995 6.895 1.00 37.97 C ATOM 2402 C PRO B 809 -8.068 6.350 7.100 1.00 40.84 C ATOM 2403 O PRO B 809 -7.846 5.575 8.091 1.00 40.88 O ATOM 2404 CB PRO B 809 -9.374 8.492 7.312 1.00 35.95 C ATOM 2405 CG PRO B 809 -9.685 8.463 8.774 1.00 38.25 C ATOM 2406 CD PRO B 809 -10.645 7.293 8.993 1.00 40.18 C ATOM 0 HA PRO B 809 -9.682 6.862 5.965 1.00 37.97 H new ATOM 0 HB2 PRO B 809 -8.498 8.872 7.141 1.00 35.95 H new ATOM 0 HB3 PRO B 809 -10.016 9.028 6.821 1.00 35.95 H new ATOM 0 HG2 PRO B 809 -8.876 8.348 9.296 1.00 38.25 H new ATOM 0 HG3 PRO B 809 -10.089 9.298 9.057 1.00 38.25 H new ATOM 0 HD2 PRO B 809 -10.454 6.824 9.821 1.00 40.18 H new ATOM 0 HD3 PRO B 809 -11.567 7.592 9.042 1.00 40.18 H new ATOM 2407 N GLN B 810 -7.154 6.770 6.236 1.00 41.81 N ATOM 2408 CA GLN B 810 -5.807 6.226 6.202 1.00 51.28 C ATOM 2409 C GLN B 810 -5.092 6.488 7.525 1.00 46.00 C ATOM 2410 O GLN B 810 -4.468 5.576 8.102 1.00 48.21 O ATOM 2411 CB GLN B 810 -5.029 6.824 5.028 1.00 60.03 C ATOM 2412 CG GLN B 810 -3.712 6.113 4.742 1.00 71.86 C ATOM 2413 CD GLN B 810 -2.747 6.996 3.967 1.00 80.79 C ATOM 2414 OE1 GLN B 810 -2.256 8.002 4.485 1.00 85.81 O ATOM 2415 NE2 GLN B 810 -2.474 6.630 2.724 1.00 85.30 N ATOM 0 H GLN B 810 -7.300 7.382 5.650 1.00 41.81 H new ATOM 0 HA GLN B 810 -5.858 5.266 6.076 1.00 51.28 H new ATOM 0 HB2 GLN B 810 -5.584 6.793 4.233 1.00 60.03 H new ATOM 0 HB3 GLN B 810 -4.849 7.759 5.212 1.00 60.03 H new ATOM 0 HG2 GLN B 810 -3.302 5.843 5.579 1.00 71.86 H new ATOM 0 HG3 GLN B 810 -3.885 5.303 4.237 1.00 71.86 H new ATOM 0 HE21 GLN B 810 -2.835 5.922 2.395 1.00 85.30 H new ATOM 0 HE22 GLN B 810 -1.936 7.100 2.246 1.00 85.30 H new ATOM 2416 N LYS B 811 -5.170 7.711 8.021 1.00 34.04 N ATOM 2417 CA LYS B 811 -4.661 7.983 9.361 1.00 32.73 C ATOM 2418 C LYS B 811 -5.632 8.917 10.136 1.00 26.91 C ATOM 2419 O LYS B 811 -5.733 10.067 9.785 1.00 26.18 O ATOM 2420 CB LYS B 811 -3.301 8.611 9.274 1.00 36.66 C ATOM 2421 CG LYS B 811 -2.607 8.755 10.623 1.00 39.89 C ATOM 2422 CD LYS B 811 -1.180 9.241 10.399 1.00 42.27 C ATOM 2423 CE LYS B 811 -0.618 9.799 11.667 1.00 45.35 C ATOM 2424 NZ LYS B 811 0.765 10.313 11.494 1.00 47.83 N ATOM 0 H LYS B 811 -5.506 8.388 7.611 1.00 34.04 H new ATOM 0 HA LYS B 811 -4.593 7.144 9.842 1.00 32.73 H new ATOM 0 HB2 LYS B 811 -2.743 8.076 8.687 1.00 36.66 H new ATOM 0 HB3 LYS B 811 -3.383 9.487 8.866 1.00 36.66 H new ATOM 0 HG2 LYS B 811 -3.090 9.382 11.183 1.00 39.89 H new ATOM 0 HG3 LYS B 811 -2.602 7.904 11.089 1.00 39.89 H new ATOM 0 HD2 LYS B 811 -0.627 8.508 10.088 1.00 42.27 H new ATOM 0 HD3 LYS B 811 -1.168 9.920 9.706 1.00 42.27 H new ATOM 0 HE2 LYS B 811 -1.190 10.516 11.984 1.00 45.35 H new ATOM 0 HE3 LYS B 811 -0.622 9.110 12.350 1.00 45.35 H new ATOM 0 HZ1 LYS B 811 1.114 10.500 12.291 1.00 47.83 H new ATOM 0 HZ2 LYS B 811 1.263 9.696 11.090 1.00 47.83 H new ATOM 0 HZ3 LYS B 811 0.748 11.051 10.997 1.00 47.83 H new ATOM 2425 N PRO B 812 -6.364 8.367 11.098 1.00 26.97 N ATOM 2426 CA PRO B 812 -7.252 9.207 11.870 1.00 28.61 C ATOM 2427 C PRO B 812 -6.417 10.091 12.832 1.00 30.24 C ATOM 2428 O PRO B 812 -5.290 9.735 13.213 1.00 25.51 O ATOM 2429 CB PRO B 812 -8.148 8.218 12.612 1.00 30.93 C ATOM 2430 CG PRO B 812 -7.528 6.930 12.493 1.00 32.88 C ATOM 2431 CD PRO B 812 -6.566 6.955 11.373 1.00 31.82 C ATOM 0 HA PRO B 812 -7.780 9.821 11.336 1.00 28.61 H new ATOM 0 HB2 PRO B 812 -8.242 8.470 13.544 1.00 30.93 H new ATOM 0 HB3 PRO B 812 -9.040 8.208 12.230 1.00 30.93 H new ATOM 0 HG2 PRO B 812 -7.074 6.700 13.319 1.00 32.88 H new ATOM 0 HG3 PRO B 812 -8.201 6.248 12.340 1.00 32.88 H new ATOM 0 HD2 PRO B 812 -5.733 6.519 11.613 1.00 31.82 H new ATOM 0 HD3 PRO B 812 -6.916 6.490 10.597 1.00 31.82 H new ATOM 2432 N MET B 813 -6.912 11.295 13.074 1.00 24.55 N ATOM 2433 CA MET B 813 -6.192 12.287 13.887 1.00 22.64 C ATOM 2434 C MET B 813 -7.210 13.199 14.609 1.00 24.37 C ATOM 2435 O MET B 813 -8.317 13.479 14.091 1.00 22.76 O ATOM 2436 CB MET B 813 -5.238 13.099 13.047 1.00 19.72 C ATOM 2437 CG MET B 813 -4.163 13.910 13.767 1.00 21.02 C ATOM 2438 SD MET B 813 -3.235 12.999 15.096 1.00 23.58 S ATOM 2439 CE MET B 813 -2.559 11.743 14.002 1.00 27.03 C ATOM 0 H MET B 813 -7.672 11.567 12.777 1.00 24.55 H new ATOM 0 HA MET B 813 -5.660 11.819 14.550 1.00 22.64 H new ATOM 0 HB2 MET B 813 -4.793 12.494 12.433 1.00 19.72 H new ATOM 0 HB3 MET B 813 -5.763 13.712 12.509 1.00 19.72 H new ATOM 0 HG2 MET B 813 -3.526 14.230 13.109 1.00 21.02 H new ATOM 0 HG3 MET B 813 -4.579 14.692 14.162 1.00 21.02 H new ATOM 0 HE1 MET B 813 -1.688 11.466 14.327 1.00 27.03 H new ATOM 0 HE2 MET B 813 -3.155 10.978 13.981 1.00 27.03 H new ATOM 0 HE3 MET B 813 -2.469 12.107 13.107 1.00 27.03 H new ATOM 2440 N TRP B 814 -6.849 13.600 15.818 1.00 19.87 N ATOM 2441 CA TRP B 814 -7.597 14.524 16.615 1.00 19.26 C ATOM 2442 C TRP B 814 -6.706 15.303 17.602 1.00 19.97 C ATOM 2443 O TRP B 814 -5.554 14.917 17.866 1.00 17.81 O ATOM 2444 CB TRP B 814 -8.734 13.788 17.334 1.00 20.36 C ATOM 2445 CG TRP B 814 -8.363 12.629 18.207 1.00 20.84 C ATOM 2446 CD1 TRP B 814 -8.196 12.676 19.542 1.00 24.45 C ATOM 2447 CD2 TRP B 814 -8.082 11.303 17.819 1.00 22.68 C ATOM 2448 NE1 TRP B 814 -7.824 11.461 20.043 1.00 24.10 N ATOM 2449 CE2 TRP B 814 -7.765 10.582 19.002 1.00 25.85 C ATOM 2450 CE3 TRP B 814 -8.059 10.626 16.588 1.00 24.89 C ATOM 2451 CZ2 TRP B 814 -7.406 9.216 18.994 1.00 27.47 C ATOM 2452 CZ3 TRP B 814 -7.732 9.248 16.569 1.00 26.99 C ATOM 2453 CH2 TRP B 814 -7.393 8.564 17.767 1.00 29.19 C ATOM 0 H TRP B 814 -6.131 13.324 16.203 1.00 19.87 H new ATOM 0 HA TRP B 814 -7.982 15.189 16.023 1.00 19.26 H new ATOM 0 HB2 TRP B 814 -9.211 14.433 17.879 1.00 20.36 H new ATOM 0 HB3 TRP B 814 -9.357 13.469 16.662 1.00 20.36 H new ATOM 0 HD1 TRP B 814 -8.319 13.440 20.058 1.00 24.45 H new ATOM 0 HE1 TRP B 814 -7.657 11.282 20.867 1.00 24.10 H new ATOM 0 HE3 TRP B 814 -8.255 11.076 15.798 1.00 24.89 H new ATOM 0 HZ2 TRP B 814 -7.187 8.770 19.780 1.00 27.47 H new ATOM 0 HZ3 TRP B 814 -7.739 8.785 15.762 1.00 26.99 H new ATOM 0 HH2 TRP B 814 -7.158 7.665 17.729 1.00 29.19 H new ATOM 2454 N LEU B 815 -7.217 16.404 18.132 1.00 15.94 N ATOM 2455 CA LEU B 815 -6.405 17.281 18.908 1.00 16.60 C ATOM 2456 C LEU B 815 -5.838 16.596 20.177 1.00 16.70 C ATOM 2457 O LEU B 815 -4.698 16.806 20.475 1.00 18.07 O ATOM 2458 CB LEU B 815 -7.114 18.570 19.269 1.00 16.52 C ATOM 2459 CG LEU B 815 -7.550 19.442 18.117 1.00 16.64 C ATOM 2460 CD1 LEU B 815 -8.516 20.536 18.616 1.00 19.33 C ATOM 2461 CD2 LEU B 815 -6.409 20.101 17.386 1.00 17.16 C ATOM 0 H LEU B 815 -8.036 16.651 18.046 1.00 15.94 H new ATOM 0 HA LEU B 815 -5.656 17.511 18.336 1.00 16.60 H new ATOM 0 HB2 LEU B 815 -7.898 18.349 19.796 1.00 16.52 H new ATOM 0 HB3 LEU B 815 -6.527 19.091 19.839 1.00 16.52 H new ATOM 0 HG LEU B 815 -7.989 18.848 17.488 1.00 16.64 H new ATOM 0 HD11 LEU B 815 -8.790 21.091 17.869 1.00 19.33 H new ATOM 0 HD12 LEU B 815 -9.297 20.121 19.014 1.00 19.33 H new ATOM 0 HD13 LEU B 815 -8.069 21.085 19.279 1.00 19.33 H new ATOM 0 HD21 LEU B 815 -6.759 20.643 16.662 1.00 17.16 H new ATOM 0 HD22 LEU B 815 -5.913 20.664 18.001 1.00 17.16 H new ATOM 0 HD23 LEU B 815 -5.820 19.420 17.024 1.00 17.16 H new ATOM 2462 N ASN B 816 -6.614 15.815 20.883 1.00 15.41 N ATOM 2463 CA ASN B 816 -6.105 15.199 22.075 1.00 18.44 C ATOM 2464 C ASN B 816 -4.979 14.189 21.748 1.00 20.01 C ATOM 2465 O ASN B 816 -4.097 14.035 22.604 1.00 19.85 O ATOM 2466 CB ASN B 816 -7.217 14.535 22.818 1.00 19.74 C ATOM 2467 CG ASN B 816 -8.225 15.499 23.423 1.00 20.63 C ATOM 2468 OD1 ASN B 816 -8.038 16.725 23.557 1.00 20.08 O ATOM 2469 ND2 ASN B 816 -9.311 14.898 23.906 1.00 20.87 N ATOM 0 H ASN B 816 -7.432 15.629 20.692 1.00 15.41 H new ATOM 0 HA ASN B 816 -5.721 15.889 22.638 1.00 18.44 H new ATOM 0 HB2 ASN B 816 -7.681 13.933 22.215 1.00 19.74 H new ATOM 0 HB3 ASN B 816 -6.839 13.991 23.527 1.00 19.74 H new ATOM 0 HD21 ASN B 816 -9.907 15.357 24.323 1.00 20.87 H new ATOM 0 HD22 ASN B 816 -9.417 14.051 23.800 1.00 20.87 H new ATOM 2470 N LYS B 817 -4.979 13.604 20.541 1.00 19.30 N ATOM 2471 CA LYS B 817 -3.942 12.676 20.143 1.00 20.53 C ATOM 2472 C LYS B 817 -2.658 13.511 19.872 1.00 23.33 C ATOM 2473 O LYS B 817 -1.541 13.119 20.242 1.00 19.99 O ATOM 2474 CB LYS B 817 -4.338 11.900 18.946 1.00 23.51 C ATOM 2475 CG LYS B 817 -3.287 10.942 18.472 1.00 25.95 C ATOM 2476 CD LYS B 817 -3.864 10.067 17.407 1.00 33.11 C ATOM 2477 CE LYS B 817 -2.777 9.034 17.072 1.00 44.72 C ATOM 2478 NZ LYS B 817 -2.910 8.555 15.671 1.00 57.71 N ATOM 0 H LYS B 817 -5.581 13.741 19.942 1.00 19.30 H new ATOM 0 HA LYS B 817 -3.785 12.027 20.846 1.00 20.53 H new ATOM 0 HB2 LYS B 817 -5.149 11.406 19.145 1.00 23.51 H new ATOM 0 HB3 LYS B 817 -4.550 12.516 18.227 1.00 23.51 H new ATOM 0 HG2 LYS B 817 -2.522 11.429 18.127 1.00 25.95 H new ATOM 0 HG3 LYS B 817 -2.969 10.402 19.212 1.00 25.95 H new ATOM 0 HD2 LYS B 817 -4.673 9.631 17.717 1.00 33.11 H new ATOM 0 HD3 LYS B 817 -4.103 10.586 16.623 1.00 33.11 H new ATOM 0 HE2 LYS B 817 -1.900 9.429 17.200 1.00 44.72 H new ATOM 0 HE3 LYS B 817 -2.842 8.282 17.682 1.00 44.72 H new ATOM 0 HZ1 LYS B 817 -2.498 7.771 15.585 1.00 57.71 H new ATOM 0 HZ2 LYS B 817 -3.772 8.460 15.470 1.00 57.71 H new ATOM 0 HZ3 LYS B 817 -2.540 9.147 15.118 1.00 57.71 H new ATOM 2479 N VAL B 818 -2.799 14.634 19.222 1.00 19.86 N ATOM 2480 CA VAL B 818 -1.672 15.582 19.062 1.00 19.67 C ATOM 2481 C VAL B 818 -1.120 16.047 20.392 1.00 19.19 C ATOM 2482 O VAL B 818 0.104 16.110 20.607 1.00 18.13 O ATOM 2483 CB VAL B 818 -1.974 16.797 18.139 1.00 18.47 C ATOM 2484 CG1 VAL B 818 -0.789 17.719 18.034 1.00 17.60 C ATOM 2485 CG2 VAL B 818 -2.405 16.305 16.766 1.00 20.50 C ATOM 0 H VAL B 818 -3.534 14.889 18.855 1.00 19.86 H new ATOM 0 HA VAL B 818 -0.990 15.064 18.607 1.00 19.67 H new ATOM 0 HB VAL B 818 -2.699 17.308 18.533 1.00 18.47 H new ATOM 0 HG11 VAL B 818 -1.009 18.464 17.453 1.00 17.60 H new ATOM 0 HG12 VAL B 818 -0.560 18.053 18.915 1.00 17.60 H new ATOM 0 HG13 VAL B 818 -0.034 17.235 17.666 1.00 17.60 H new ATOM 0 HG21 VAL B 818 -2.592 17.065 16.194 1.00 20.50 H new ATOM 0 HG22 VAL B 818 -1.694 15.774 16.375 1.00 20.50 H new ATOM 0 HG23 VAL B 818 -3.204 15.762 16.853 1.00 20.50 H new ATOM 2486 N LYS B 819 -1.992 16.387 21.331 1.00 15.93 N ATOM 2487 CA LYS B 819 -1.529 16.827 22.657 1.00 18.36 C ATOM 2488 C LYS B 819 -0.675 15.694 23.346 1.00 16.00 C ATOM 2489 O LYS B 819 0.418 15.946 23.863 1.00 17.84 O ATOM 2490 CB LYS B 819 -2.733 17.103 23.517 1.00 19.15 C ATOM 2491 CG LYS B 819 -2.390 17.605 24.917 1.00 20.53 C ATOM 2492 CD LYS B 819 -3.571 17.931 25.813 1.00 23.39 C ATOM 2493 CE LYS B 819 -4.073 19.293 25.619 1.00 26.06 C ATOM 2494 NZ LYS B 819 -4.976 19.673 26.793 1.00 30.36 N ATOM 0 H LYS B 819 -2.846 16.373 21.231 1.00 15.93 H new ATOM 0 HA LYS B 819 -0.983 17.622 22.555 1.00 18.36 H new ATOM 0 HB2 LYS B 819 -3.292 17.761 23.075 1.00 19.15 H new ATOM 0 HB3 LYS B 819 -3.258 16.291 23.594 1.00 19.15 H new ATOM 0 HG2 LYS B 819 -1.847 16.933 25.359 1.00 20.53 H new ATOM 0 HG3 LYS B 819 -1.842 18.401 24.831 1.00 20.53 H new ATOM 0 HD2 LYS B 819 -4.287 17.300 25.640 1.00 23.39 H new ATOM 0 HD3 LYS B 819 -3.309 17.816 26.740 1.00 23.39 H new ATOM 0 HE2 LYS B 819 -3.332 19.915 25.553 1.00 26.06 H new ATOM 0 HE3 LYS B 819 -4.567 19.351 24.786 1.00 26.06 H new ATOM 0 HZ1 LYS B 819 -5.351 20.465 26.635 1.00 30.36 H new ATOM 0 HZ2 LYS B 819 -5.612 19.058 26.890 1.00 30.36 H new ATOM 0 HZ3 LYS B 819 -4.491 19.718 27.538 1.00 30.36 H new ATOM 2495 N THR B 820 -1.169 14.480 23.301 1.00 16.63 N ATOM 2496 CA THR B 820 -0.404 13.319 23.872 1.00 18.44 C ATOM 2497 C THR B 820 0.905 13.144 23.139 1.00 18.29 C ATOM 2498 O THR B 820 1.933 12.887 23.792 1.00 20.36 O ATOM 2499 CB THR B 820 -1.289 12.056 23.738 1.00 21.80 C ATOM 2500 OG1 THR B 820 -2.358 12.239 24.652 1.00 25.14 O ATOM 2501 CG2 THR B 820 -0.495 10.807 24.129 1.00 29.87 C ATOM 0 H THR B 820 -1.930 14.277 22.957 1.00 16.63 H new ATOM 0 HA THR B 820 -0.194 13.475 24.806 1.00 18.44 H new ATOM 0 HB THR B 820 -1.600 11.937 22.827 1.00 21.80 H new ATOM 0 HG1 THR B 820 -2.895 12.807 24.345 1.00 25.14 H new ATOM 0 HG21 THR B 820 -1.060 10.023 24.041 1.00 29.87 H new ATOM 0 HG22 THR B 820 0.275 10.717 23.546 1.00 29.87 H new ATOM 0 HG23 THR B 820 -0.196 10.888 25.048 1.00 29.87 H new ATOM 2502 N SER B 821 0.906 13.258 21.818 1.00 17.87 N ATOM 2503 CA SER B 821 2.128 13.051 21.019 1.00 19.15 C ATOM 2504 C SER B 821 3.188 14.088 21.339 1.00 23.69 C ATOM 2505 O SER B 821 4.383 13.747 21.545 1.00 20.01 O ATOM 2506 CB SER B 821 1.884 13.005 19.510 1.00 19.57 C ATOM 2507 OG SER B 821 0.995 11.931 19.204 1.00 21.47 O ATOM 0 H SER B 821 0.209 13.456 21.354 1.00 17.87 H new ATOM 0 HA SER B 821 2.448 12.173 21.278 1.00 19.15 H new ATOM 0 HB2 SER B 821 1.507 13.846 19.208 1.00 19.57 H new ATOM 0 HB3 SER B 821 2.724 12.886 19.040 1.00 19.57 H new ATOM 0 HG SER B 821 0.209 12.153 19.400 1.00 21.47 H new ATOM 2508 N LEU B 822 2.765 15.338 21.506 1.00 18.67 N ATOM 2509 CA LEU B 822 3.694 16.383 21.985 1.00 20.40 C ATOM 2510 C LEU B 822 4.198 16.136 23.371 1.00 21.07 C ATOM 2511 O LEU B 822 5.377 16.305 23.640 1.00 23.97 O ATOM 2512 CB LEU B 822 3.003 17.762 22.038 1.00 23.40 C ATOM 2513 CG LEU B 822 3.002 18.681 20.926 1.00 23.79 C ATOM 2514 CD1 LEU B 822 2.208 19.985 21.245 1.00 21.95 C ATOM 2515 CD2 LEU B 822 4.467 19.066 20.545 1.00 21.78 C ATOM 0 H LEU B 822 1.962 15.607 21.354 1.00 18.67 H new ATOM 0 HA LEU B 822 4.429 16.362 21.352 1.00 20.40 H new ATOM 0 HB2 LEU B 822 2.073 17.596 22.260 1.00 23.40 H new ATOM 0 HB3 LEU B 822 3.393 18.237 22.788 1.00 23.40 H new ATOM 0 HG LEU B 822 2.567 18.230 20.186 1.00 23.79 H new ATOM 0 HD11 LEU B 822 2.231 20.575 20.475 1.00 21.95 H new ATOM 0 HD12 LEU B 822 1.287 19.761 21.453 1.00 21.95 H new ATOM 0 HD13 LEU B 822 2.611 20.432 22.006 1.00 21.95 H new ATOM 0 HD21 LEU B 822 4.455 19.684 19.797 1.00 21.78 H new ATOM 0 HD22 LEU B 822 4.899 19.487 21.305 1.00 21.78 H new ATOM 0 HD23 LEU B 822 4.958 18.267 20.296 1.00 21.78 H new ATOM 2516 N ASN B 823 3.342 15.741 24.296 1.00 21.37 N ATOM 2517 CA ASN B 823 3.744 15.457 25.716 1.00 23.17 C ATOM 2518 C ASN B 823 4.762 14.276 25.755 1.00 24.04 C ATOM 2519 O ASN B 823 5.715 14.267 26.511 1.00 26.89 O ATOM 2520 CB ASN B 823 2.491 15.142 26.522 1.00 25.79 C ATOM 2521 CG ASN B 823 2.767 14.684 27.974 1.00 28.35 C ATOM 2522 OD1 ASN B 823 2.366 13.595 28.404 1.00 38.04 O ATOM 2523 ND2 ASN B 823 3.376 15.487 28.692 1.00 28.90 N ATOM 0 H ASN B 823 2.504 15.622 24.143 1.00 21.37 H new ATOM 0 HA ASN B 823 4.181 16.230 26.106 1.00 23.17 H new ATOM 0 HB2 ASN B 823 1.927 15.931 26.544 1.00 25.79 H new ATOM 0 HB3 ASN B 823 1.991 14.448 26.065 1.00 25.79 H new ATOM 0 HD21 ASN B 823 3.532 15.295 29.516 1.00 28.90 H new ATOM 0 HD22 ASN B 823 3.644 16.237 28.367 1.00 28.90 H new ATOM 2524 N GLU B 824 4.621 13.387 24.823 1.00 20.45 N ATOM 2525 CA GLU B 824 5.425 12.170 24.768 1.00 24.42 C ATOM 2526 C GLU B 824 6.662 12.391 23.924 1.00 22.33 C ATOM 2527 O GLU B 824 7.409 11.439 23.694 1.00 24.43 O ATOM 2528 CB GLU B 824 4.600 10.973 24.287 1.00 24.14 C ATOM 2529 CG GLU B 824 3.638 10.616 25.403 1.00 29.94 C ATOM 2530 CD GLU B 824 2.661 9.474 25.141 1.00 39.73 C ATOM 2531 OE1 GLU B 824 2.798 8.752 24.161 1.00 51.95 O ATOM 2532 OE2 GLU B 824 1.741 9.277 25.996 1.00 53.62 O ATOM 0 H GLU B 824 4.050 13.457 24.184 1.00 20.45 H new ATOM 0 HA GLU B 824 5.719 11.956 25.667 1.00 24.42 H new ATOM 0 HB2 GLU B 824 4.117 11.194 23.476 1.00 24.14 H new ATOM 0 HB3 GLU B 824 5.176 10.221 24.078 1.00 24.14 H new ATOM 0 HG2 GLU B 824 4.160 10.391 26.189 1.00 29.94 H new ATOM 0 HG3 GLU B 824 3.123 11.408 25.621 1.00 29.94 H new ATOM 2533 N GLN B 825 6.830 13.591 23.390 1.00 23.64 N ATOM 2534 CA GLN B 825 7.994 13.923 22.581 1.00 24.78 C ATOM 2535 C GLN B 825 8.109 13.075 21.347 1.00 28.04 C ATOM 2536 O GLN B 825 9.186 12.592 20.977 1.00 27.46 O ATOM 2537 CB GLN B 825 9.296 13.865 23.431 1.00 30.65 C ATOM 2538 CG GLN B 825 9.253 14.836 24.599 1.00 31.30 C ATOM 2539 CD GLN B 825 10.284 14.575 25.686 1.00 35.26 C ATOM 2540 OE1 GLN B 825 10.380 13.470 26.211 1.00 34.37 O ATOM 2541 NE2 GLN B 825 11.022 15.635 26.068 1.00 28.43 N ATOM 0 H GLN B 825 6.272 14.238 23.486 1.00 23.64 H new ATOM 0 HA GLN B 825 7.869 14.834 22.273 1.00 24.78 H new ATOM 0 HB2 GLN B 825 9.424 12.963 23.765 1.00 30.65 H new ATOM 0 HB3 GLN B 825 10.059 14.070 22.868 1.00 30.65 H new ATOM 0 HG2 GLN B 825 9.380 15.736 24.260 1.00 31.30 H new ATOM 0 HG3 GLN B 825 8.369 14.805 24.996 1.00 31.30 H new ATOM 0 HE21 GLN B 825 10.923 16.392 25.673 1.00 28.43 H new ATOM 0 HE22 GLN B 825 11.592 15.554 26.707 1.00 28.43 H new ATOM 2542 N MET B 826 6.974 12.830 20.702 1.00 23.96 N ATOM 2543 CA AMET B 826 6.918 12.006 19.514 0.59 22.89 C ATOM 2544 CA BMET B 826 6.920 12.005 19.511 0.41 24.13 C ATOM 2545 C MET B 826 7.320 12.731 18.242 1.00 25.68 C ATOM 2546 O MET B 826 7.552 12.094 17.256 1.00 30.76 O ATOM 2547 CB AMET B 826 5.541 11.400 19.317 0.59 24.32 C ATOM 2548 CB BMET B 826 5.542 11.386 19.346 0.41 25.90 C ATOM 2549 CG AMET B 826 5.041 10.497 20.428 0.59 27.04 C ATOM 2550 CG BMET B 826 5.193 10.484 20.504 0.41 28.85 C ATOM 2551 SD AMET B 826 6.100 9.043 20.777 0.59 33.05 S ATOM 2552 SD BMET B 826 3.667 9.538 20.447 0.41 33.97 S ATOM 2553 CE AMET B 826 5.964 8.074 19.271 0.59 32.81 C ATOM 2554 CE BMET B 826 3.506 8.975 18.762 0.41 30.65 C ATOM 0 H AMET B 826 6.211 13.142 20.948 0.59 23.96 H new ATOM 0 H BMET B 826 6.211 13.141 20.948 0.41 23.96 H new ATOM 0 HA AMET B 826 7.571 11.306 19.672 0.59 24.13 H new ATOM 0 HA BMET B 826 7.580 11.307 19.646 0.41 24.13 H new ATOM 0 HB2AMET B 826 4.904 12.122 19.201 0.59 25.90 H new ATOM 0 HB2BMET B 826 4.878 12.089 19.272 0.41 25.90 H new ATOM 0 HB3AMET B 826 5.547 10.892 18.491 0.59 25.90 H new ATOM 0 HB3BMET B 826 5.512 10.879 18.520 0.41 25.90 H new ATOM 0 HG2AMET B 826 4.957 11.021 21.240 0.59 28.85 H new ATOM 0 HG2BMET B 826 5.923 9.855 20.615 0.41 28.85 H new ATOM 0 HG3AMET B 826 4.152 10.185 20.198 0.59 28.85 H new ATOM 0 HG3BMET B 826 5.167 11.032 21.304 0.41 28.85 H new ATOM 0 HE1AMET B 826 6.459 7.246 19.373 0.59 30.65 H new ATOM 0 HE1BMET B 826 2.727 8.402 18.685 0.41 30.65 H new ATOM 0 HE2AMET B 826 5.031 7.873 19.098 0.59 30.65 H new ATOM 0 HE2BMET B 826 3.404 9.739 18.174 0.41 30.65 H new ATOM 0 HE3AMET B 826 6.328 8.579 18.527 0.59 30.65 H new ATOM 0 HE3BMET B 826 4.299 8.477 18.510 0.41 30.65 H new ATOM 2555 N TYR B 827 7.374 14.062 18.261 1.00 23.08 N ATOM 2556 CA TYR B 827 7.751 14.835 17.092 1.00 21.32 C ATOM 2557 C TYR B 827 9.205 15.256 17.175 1.00 21.40 C ATOM 2558 O TYR B 827 9.630 15.844 18.200 1.00 23.38 O ATOM 2559 CB TYR B 827 6.860 16.076 16.949 1.00 21.80 C ATOM 2560 CG TYR B 827 5.422 15.780 16.843 1.00 18.78 C ATOM 2561 CD1 TYR B 827 4.917 14.979 15.862 1.00 19.43 C ATOM 2562 CD2 TYR B 827 4.538 16.246 17.794 1.00 22.07 C ATOM 2563 CE1 TYR B 827 3.547 14.692 15.748 1.00 18.48 C ATOM 2564 CE2 TYR B 827 3.191 15.962 17.714 1.00 19.44 C ATOM 2565 CZ TYR B 827 2.692 15.222 16.692 1.00 19.75 C ATOM 2566 OH TYR B 827 1.381 14.932 16.633 1.00 20.51 O ATOM 0 H TYR B 827 7.192 14.537 18.954 1.00 23.08 H new ATOM 0 HA TYR B 827 7.630 14.272 16.312 1.00 21.32 H new ATOM 0 HB2 TYR B 827 7.005 16.655 17.714 1.00 21.80 H new ATOM 0 HB3 TYR B 827 7.137 16.571 16.162 1.00 21.80 H new ATOM 0 HD1 TYR B 827 5.504 14.608 15.243 1.00 19.43 H new ATOM 0 HD2 TYR B 827 4.856 16.760 18.501 1.00 22.07 H new ATOM 0 HE1 TYR B 827 3.225 14.160 15.056 1.00 18.48 H new ATOM 0 HE2 TYR B 827 2.616 16.283 18.371 1.00 19.44 H new ATOM 0 HH TYR B 827 1.216 14.524 15.917 1.00 20.51 H new ATOM 2567 N THR B 828 10.022 14.870 16.177 1.00 20.61 N ATOM 2568 CA THR B 828 11.438 15.343 16.139 1.00 20.84 C ATOM 2569 C THR B 828 11.636 16.637 15.456 1.00 19.04 C ATOM 2570 O THR B 828 12.619 17.320 15.724 1.00 19.80 O ATOM 2571 CB THR B 828 12.406 14.292 15.469 1.00 21.27 C ATOM 2572 OG1 THR B 828 11.918 13.981 14.177 1.00 24.04 O ATOM 2573 CG2 THR B 828 12.379 13.027 16.242 1.00 23.78 C ATOM 0 H THR B 828 9.793 14.352 15.530 1.00 20.61 H new ATOM 0 HA THR B 828 11.656 15.459 17.077 1.00 20.84 H new ATOM 0 HB THR B 828 13.301 14.665 15.439 1.00 21.27 H new ATOM 0 HG1 THR B 828 12.428 13.423 13.811 1.00 24.04 H new ATOM 0 HG21 THR B 828 12.974 12.382 15.829 1.00 23.78 H new ATOM 0 HG22 THR B 828 12.669 13.197 17.152 1.00 23.78 H new ATOM 0 HG23 THR B 828 11.476 12.673 16.252 1.00 23.78 H new ATOM 2574 N ARG B 829 10.706 17.030 14.551 1.00 20.86 N ATOM 2575 CA AARG B 829 10.796 18.275 13.822 0.49 20.32 C ATOM 2576 CA BARG B 829 10.812 18.307 13.889 0.51 21.14 C ATOM 2577 C ARG B 829 9.397 18.975 13.863 1.00 17.77 C ATOM 2578 O ARG B 829 8.358 18.297 14.031 1.00 20.34 O ATOM 2579 CB AARG B 829 11.153 17.992 12.345 0.49 22.03 C ATOM 2580 CB BARG B 829 11.343 18.114 12.459 0.51 24.89 C ATOM 2581 CG AARG B 829 12.581 17.466 12.154 0.49 21.95 C ATOM 2582 CG BARG B 829 12.845 17.783 12.414 0.51 25.77 C ATOM 2583 CD AARG B 829 12.882 17.050 10.716 0.49 22.87 C ATOM 2584 CD BARG B 829 13.309 17.438 11.019 0.51 29.04 C ATOM 2585 NE AARG B 829 14.307 16.693 10.688 0.49 25.91 N ATOM 2586 NE BARG B 829 14.649 16.822 11.079 0.51 31.52 N ATOM 2587 CZ AARG B 829 14.767 15.526 11.133 0.49 21.08 C ATOM 2588 CZ BARG B 829 15.801 17.452 10.943 0.51 30.22 C ATOM 2589 NH1AARG B 829 13.931 14.570 11.589 0.49 18.80 N ATOM 2590 NH1BARG B 829 16.902 16.733 11.006 0.51 29.57 N ATOM 2591 NH2AARG B 829 16.058 15.338 11.115 0.49 22.35 N ATOM 2592 NH2BARG B 829 15.876 18.763 10.675 0.51 31.02 N ATOM 0 H AARG B 829 10.010 16.564 14.357 0.49 20.86 H new ATOM 0 H BARG B 829 10.022 16.562 14.324 0.51 20.86 H new ATOM 0 HA AARG B 829 11.478 18.837 14.222 0.49 21.14 H new ATOM 0 HA BARG B 829 11.432 18.880 14.367 0.51 21.14 H new ATOM 0 HB2AARG B 829 10.526 17.345 11.986 0.49 24.89 H new ATOM 0 HB2BARG B 829 10.847 17.400 12.029 0.51 24.89 H new ATOM 0 HB3AARG B 829 11.044 18.807 11.831 0.49 24.89 H new ATOM 0 HB3BARG B 829 11.180 18.922 11.947 0.51 24.89 H new ATOM 0 HG2AARG B 829 13.211 18.152 12.424 0.49 25.77 H new ATOM 0 HG2BARG B 829 13.352 18.541 12.744 0.51 25.77 H new ATOM 0 HG3AARG B 829 12.720 16.706 12.740 0.49 25.77 H new ATOM 0 HG3BARG B 829 13.029 17.039 13.008 0.51 25.77 H new ATOM 0 HD2AARG B 829 12.330 16.298 10.449 0.49 29.04 H new ATOM 0 HD2BARG B 829 12.681 16.828 10.601 0.51 29.04 H new ATOM 0 HD3AARG B 829 12.693 17.774 10.098 0.49 29.04 H new ATOM 0 HD3BARG B 829 13.335 18.237 10.470 0.51 29.04 H new ATOM 0 HE AARG B 829 14.868 17.262 10.371 0.49 31.52 H new ATOM 0 HE BARG B 829 14.682 15.974 11.215 0.51 31.52 H new ATOM 0 HH11AARG B 829 13.082 14.709 11.596 0.49 29.57 H new ATOM 0 HH11BARG B 829 16.854 15.884 11.132 0.51 29.57 H new ATOM 0 HH12AARG B 829 14.247 13.822 11.873 0.49 29.57 H new ATOM 0 HH12BARG B 829 17.669 17.113 10.921 0.51 29.57 H new ATOM 0 HH21AARG B 829 16.579 15.957 10.823 0.49 31.02 H new ATOM 0 HH21BARG B 829 15.156 19.225 10.585 0.51 31.02 H new ATOM 0 HH22AARG B 829 16.388 14.595 11.396 0.49 31.02 H new ATOM 0 HH22BARG B 829 16.644 19.142 10.593 0.51 31.02 H new ATOM 2593 N VAL B 830 9.404 20.263 13.630 1.00 20.31 N ATOM 2594 CA VAL B 830 8.097 21.061 13.582 1.00 20.57 C ATOM 2595 C VAL B 830 7.174 20.456 12.527 1.00 22.49 C ATOM 2596 O VAL B 830 5.979 20.291 12.728 1.00 20.02 O ATOM 2597 CB VAL B 830 8.384 22.561 13.404 1.00 21.32 C ATOM 2598 CG1 VAL B 830 7.112 23.272 12.996 1.00 21.80 C ATOM 2599 CG2 VAL B 830 9.048 23.202 14.599 1.00 22.30 C ATOM 0 H VAL B 830 10.115 20.727 13.494 1.00 20.31 H new ATOM 0 HA VAL B 830 7.623 20.997 14.426 1.00 20.57 H new ATOM 0 HB VAL B 830 9.038 22.651 12.694 1.00 21.32 H new ATOM 0 HG11 VAL B 830 7.292 24.218 12.883 1.00 21.80 H new ATOM 0 HG12 VAL B 830 6.789 22.903 12.159 1.00 21.80 H new ATOM 0 HG13 VAL B 830 6.439 23.151 13.684 1.00 21.80 H new ATOM 0 HG21 VAL B 830 9.199 24.143 14.419 1.00 22.30 H new ATOM 0 HG22 VAL B 830 8.475 23.110 15.376 1.00 22.30 H new ATOM 0 HG23 VAL B 830 9.897 22.766 14.770 1.00 22.30 H new ATOM 2600 N GLU B 831 7.743 20.005 11.378 1.00 20.98 N ATOM 2601 CA GLU B 831 7.022 19.236 10.408 1.00 23.23 C ATOM 2602 C GLU B 831 6.092 18.193 10.846 1.00 22.25 C ATOM 2603 O GLU B 831 4.970 18.124 10.328 1.00 22.64 O ATOM 2604 CB GLU B 831 8.050 18.603 9.400 1.00 29.52 C ATOM 2605 CG GLU B 831 7.469 17.757 8.309 1.00 39.67 C ATOM 2606 CD GLU B 831 8.601 17.020 7.552 1.00 45.48 C ATOM 2607 OE1 GLU B 831 9.327 16.197 8.174 1.00 46.79 O ATOM 2608 OE2 GLU B 831 8.778 17.361 6.377 1.00 50.23 O ATOM 0 H GLU B 831 8.563 20.153 11.166 1.00 20.98 H new ATOM 0 HA GLU B 831 6.425 19.897 10.024 1.00 23.23 H new ATOM 0 HB2 GLU B 831 8.558 19.321 8.991 1.00 29.52 H new ATOM 0 HB3 GLU B 831 8.678 18.062 9.904 1.00 29.52 H new ATOM 0 HG2 GLU B 831 6.848 17.113 8.684 1.00 39.67 H new ATOM 0 HG3 GLU B 831 6.965 18.311 7.693 1.00 39.67 H new ATOM 2609 N GLY B 832 6.479 17.331 11.802 1.00 21.03 N ATOM 2610 CA GLY B 832 5.606 16.269 12.213 1.00 19.17 C ATOM 2611 C GLY B 832 4.333 16.777 12.923 1.00 16.48 C ATOM 2612 O GLY B 832 3.279 16.205 12.730 1.00 18.32 O ATOM 0 H GLY B 832 7.236 17.359 12.209 1.00 21.03 H new ATOM 0 HA2 GLY B 832 5.351 15.747 11.436 1.00 19.17 H new ATOM 0 HA3 GLY B 832 6.087 15.674 12.809 1.00 19.17 H new ATOM 2613 N PHE B 833 4.511 17.749 13.807 1.00 19.25 N ATOM 2614 CA PHE B 833 3.382 18.389 14.532 1.00 18.68 C ATOM 2615 C PHE B 833 2.449 19.050 13.474 1.00 19.09 C ATOM 2616 O PHE B 833 1.251 18.818 13.475 1.00 18.53 O ATOM 2617 CB PHE B 833 3.926 19.377 15.540 1.00 19.61 C ATOM 2618 CG PHE B 833 2.888 20.315 16.064 1.00 19.07 C ATOM 2619 CD1 PHE B 833 2.064 19.914 17.056 1.00 18.87 C ATOM 2620 CD2 PHE B 833 2.784 21.605 15.574 1.00 20.88 C ATOM 2621 CE1 PHE B 833 1.034 20.761 17.534 1.00 21.93 C ATOM 2622 CE2 PHE B 833 1.797 22.494 16.064 1.00 22.63 C ATOM 2623 CZ PHE B 833 0.939 22.050 17.064 1.00 21.96 C ATOM 0 H PHE B 833 5.283 18.066 14.014 1.00 19.25 H new ATOM 0 HA PHE B 833 2.861 17.742 15.033 1.00 18.68 H new ATOM 0 HB2 PHE B 833 4.318 18.890 16.282 1.00 19.61 H new ATOM 0 HB3 PHE B 833 4.639 19.890 15.129 1.00 19.61 H new ATOM 0 HD1 PHE B 833 2.174 19.070 17.431 1.00 18.87 H new ATOM 0 HD2 PHE B 833 3.371 21.892 14.913 1.00 20.88 H new ATOM 0 HE1 PHE B 833 0.425 20.447 18.163 1.00 21.93 H new ATOM 0 HE2 PHE B 833 1.724 23.357 15.724 1.00 22.63 H new ATOM 0 HZ PHE B 833 0.299 22.626 17.416 1.00 21.96 H new ATOM 2624 N VAL B 834 2.981 19.823 12.552 1.00 18.98 N ATOM 2625 CA VAL B 834 2.124 20.555 11.561 1.00 21.35 C ATOM 2626 C VAL B 834 1.426 19.578 10.672 1.00 23.44 C ATOM 2627 O VAL B 834 0.253 19.739 10.337 1.00 21.37 O ATOM 2628 CB VAL B 834 2.955 21.557 10.785 1.00 20.49 C ATOM 2629 CG1 VAL B 834 2.213 22.177 9.573 1.00 22.46 C ATOM 2630 CG2 VAL B 834 3.410 22.646 11.704 1.00 21.22 C ATOM 0 H VAL B 834 3.826 19.954 12.461 1.00 18.98 H new ATOM 0 HA VAL B 834 1.440 21.059 12.029 1.00 21.35 H new ATOM 0 HB VAL B 834 3.711 21.069 10.424 1.00 20.49 H new ATOM 0 HG11 VAL B 834 2.798 22.806 9.123 1.00 22.46 H new ATOM 0 HG12 VAL B 834 1.958 21.474 8.955 1.00 22.46 H new ATOM 0 HG13 VAL B 834 1.418 22.639 9.882 1.00 22.46 H new ATOM 0 HG21 VAL B 834 3.942 23.287 11.208 1.00 21.22 H new ATOM 0 HG22 VAL B 834 2.637 23.093 12.084 1.00 21.22 H new ATOM 0 HG23 VAL B 834 3.946 22.265 12.417 1.00 21.22 H new ATOM 2631 N GLN B 835 2.115 18.495 10.278 1.00 22.95 N ATOM 2632 CA GLN B 835 1.459 17.514 9.470 1.00 22.98 C ATOM 2633 C GLN B 835 0.282 16.861 10.127 1.00 22.27 C ATOM 2634 O GLN B 835 -0.761 16.692 9.505 1.00 22.57 O ATOM 2635 CB GLN B 835 2.446 16.451 9.023 1.00 28.00 C ATOM 2636 CG GLN B 835 3.319 16.988 7.930 1.00 35.66 C ATOM 2637 CD GLN B 835 4.386 15.992 7.498 1.00 41.66 C ATOM 2638 OE1 GLN B 835 4.640 14.975 8.154 1.00 43.50 O ATOM 2639 NE2 GLN B 835 4.999 16.281 6.354 1.00 51.01 N ATOM 0 H GLN B 835 2.937 18.331 10.471 1.00 22.95 H new ATOM 0 HA GLN B 835 1.111 17.999 8.706 1.00 22.98 H new ATOM 0 HB2 GLN B 835 2.992 16.170 9.774 1.00 28.00 H new ATOM 0 HB3 GLN B 835 1.968 15.667 8.710 1.00 28.00 H new ATOM 0 HG2 GLN B 835 2.769 17.221 7.166 1.00 35.66 H new ATOM 0 HG3 GLN B 835 3.746 17.805 8.232 1.00 35.66 H new ATOM 0 HE21 GLN B 835 4.795 16.998 5.926 1.00 51.01 H new ATOM 0 HE22 GLN B 835 5.600 15.750 6.042 1.00 51.01 H new ATOM 2640 N ASP B 836 0.373 16.561 11.414 1.00 20.44 N ATOM 2641 CA ASP B 836 -0.729 15.895 12.117 1.00 17.93 C ATOM 2642 C ASP B 836 -1.892 16.943 12.258 1.00 17.91 C ATOM 2643 O ASP B 836 -3.026 16.570 12.144 1.00 18.11 O ATOM 2644 CB ASP B 836 -0.299 15.407 13.490 1.00 19.93 C ATOM 2645 CG ASP B 836 0.286 13.998 13.455 1.00 25.51 C ATOM 2646 OD1 ASP B 836 0.303 13.392 12.352 1.00 24.24 O ATOM 2647 OD2 ASP B 836 0.711 13.512 14.547 1.00 24.13 O ATOM 0 H ASP B 836 1.060 16.731 11.903 1.00 20.44 H new ATOM 0 HA ASP B 836 -1.016 15.116 11.616 1.00 17.93 H new ATOM 0 HB2 ASP B 836 0.360 16.018 13.855 1.00 19.93 H new ATOM 0 HB3 ASP B 836 -1.062 15.422 14.089 1.00 19.93 H new ATOM 2648 N MET B 837 -1.558 18.150 12.510 1.00 16.35 N ATOM 2649 CA MET B 837 -2.652 19.185 12.705 1.00 19.01 C ATOM 2650 C MET B 837 -3.395 19.390 11.388 1.00 20.57 C ATOM 2651 O MET B 837 -4.651 19.369 11.322 1.00 22.27 O ATOM 2652 CB MET B 837 -2.051 20.493 13.165 1.00 17.87 C ATOM 2653 CG MET B 837 -1.493 20.520 14.559 1.00 19.61 C ATOM 2654 SD MET B 837 -2.733 20.293 15.847 1.00 19.29 S ATOM 2655 CE MET B 837 -3.481 21.978 15.770 1.00 23.03 C ATOM 0 H MET B 837 -0.751 18.440 12.582 1.00 16.35 H new ATOM 0 HA MET B 837 -3.273 18.872 13.381 1.00 19.01 H new ATOM 0 HB2 MET B 837 -1.342 20.734 12.549 1.00 17.87 H new ATOM 0 HB3 MET B 837 -2.732 21.181 13.097 1.00 17.87 H new ATOM 0 HG2 MET B 837 -0.822 19.825 14.643 1.00 19.61 H new ATOM 0 HG3 MET B 837 -1.043 21.367 14.701 1.00 19.61 H new ATOM 0 HE1 MET B 837 -4.048 22.116 16.545 1.00 23.03 H new ATOM 0 HE2 MET B 837 -2.777 22.645 15.762 1.00 23.03 H new ATOM 0 HE3 MET B 837 -4.013 22.060 14.963 1.00 23.03 H new ATOM 2656 N ARG B 838 -2.650 19.477 10.279 1.00 18.65 N ATOM 2657 CA ARG B 838 -3.318 19.593 8.962 1.00 22.54 C ATOM 2658 C ARG B 838 -4.146 18.404 8.592 1.00 20.60 C ATOM 2659 O ARG B 838 -5.227 18.527 7.929 1.00 21.81 O ATOM 2660 CB ARG B 838 -2.288 19.944 7.873 1.00 24.42 C ATOM 2661 CG ARG B 838 -1.694 21.331 8.079 1.00 22.20 C ATOM 2662 CD ARG B 838 -0.590 21.714 7.100 1.00 25.20 C ATOM 2663 NE ARG B 838 -0.285 23.157 7.124 1.00 23.61 N ATOM 2664 CZ ARG B 838 0.842 23.704 6.652 1.00 28.92 C ATOM 2665 NH1 ARG B 838 1.833 22.966 6.127 1.00 30.15 N ATOM 2666 NH2 ARG B 838 1.024 24.980 6.747 1.00 26.26 N ATOM 0 H ARG B 838 -1.790 19.472 10.259 1.00 18.65 H new ATOM 0 HA ARG B 838 -3.956 20.320 9.036 1.00 22.54 H new ATOM 0 HB2 ARG B 838 -1.577 19.284 7.876 1.00 24.42 H new ATOM 0 HB3 ARG B 838 -2.712 19.900 7.001 1.00 24.42 H new ATOM 0 HG2 ARG B 838 -2.407 21.986 8.013 1.00 22.20 H new ATOM 0 HG3 ARG B 838 -1.341 21.386 8.981 1.00 22.20 H new ATOM 0 HD2 ARG B 838 0.213 21.214 7.312 1.00 25.20 H new ATOM 0 HD3 ARG B 838 -0.855 21.458 6.203 1.00 25.20 H new ATOM 0 HE ARG B 838 -0.873 23.684 7.465 1.00 23.61 H new ATOM 0 HH11 ARG B 838 1.756 22.110 6.085 1.00 30.15 H new ATOM 0 HH12 ARG B 838 2.545 23.349 5.832 1.00 30.15 H new ATOM 0 HH21 ARG B 838 0.422 25.474 7.112 1.00 26.26 H new ATOM 0 HH22 ARG B 838 1.747 25.335 6.445 1.00 26.26 H new ATOM 2667 N LEU B 839 -3.667 17.228 8.990 1.00 21.32 N ATOM 2668 CA LEU B 839 -4.382 16.000 8.762 1.00 22.16 C ATOM 2669 C LEU B 839 -5.772 16.011 9.381 1.00 23.74 C ATOM 2670 O LEU B 839 -6.739 15.442 8.805 1.00 21.29 O ATOM 2671 CB LEU B 839 -3.577 14.795 9.225 1.00 23.22 C ATOM 2672 CG LEU B 839 -4.164 13.413 9.139 1.00 27.06 C ATOM 2673 CD1 LEU B 839 -4.477 12.953 7.709 1.00 29.73 C ATOM 2674 CD2 LEU B 839 -3.170 12.423 9.792 1.00 29.98 C ATOM 0 H LEU B 839 -2.917 17.130 9.399 1.00 21.32 H new ATOM 0 HA LEU B 839 -4.506 15.925 7.803 1.00 22.16 H new ATOM 0 HB2 LEU B 839 -2.751 14.789 8.716 1.00 23.22 H new ATOM 0 HB3 LEU B 839 -3.338 14.948 10.152 1.00 23.22 H new ATOM 0 HG LEU B 839 -5.015 13.434 9.604 1.00 27.06 H new ATOM 0 HD11 LEU B 839 -4.851 12.058 7.731 1.00 29.73 H new ATOM 0 HD12 LEU B 839 -5.117 13.560 7.306 1.00 29.73 H new ATOM 0 HD13 LEU B 839 -3.661 12.949 7.184 1.00 29.73 H new ATOM 0 HD21 LEU B 839 -3.531 11.524 9.746 1.00 29.98 H new ATOM 0 HD22 LEU B 839 -2.324 12.455 9.319 1.00 29.98 H new ATOM 0 HD23 LEU B 839 -3.031 12.668 10.720 1.00 29.98 H new ATOM 2675 N ILE B 840 -5.876 16.601 10.592 1.00 19.60 N ATOM 2676 CA ILE B 840 -7.186 16.663 11.259 1.00 19.87 C ATOM 2677 C ILE B 840 -8.246 17.293 10.292 1.00 20.88 C ATOM 2678 O ILE B 840 -9.351 16.757 10.070 1.00 22.52 O ATOM 2679 CB ILE B 840 -7.056 17.491 12.532 1.00 20.65 C ATOM 2680 CG1 ILE B 840 -6.273 16.701 13.575 1.00 19.58 C ATOM 2681 CG2 ILE B 840 -8.415 17.868 13.053 1.00 21.69 C ATOM 2682 CD1 ILE B 840 -5.989 17.495 14.835 1.00 19.97 C ATOM 0 H ILE B 840 -5.224 16.957 11.025 1.00 19.60 H new ATOM 0 HA ILE B 840 -7.482 15.769 11.492 1.00 19.87 H new ATOM 0 HB ILE B 840 -6.575 18.310 12.335 1.00 20.65 H new ATOM 0 HG12 ILE B 840 -6.771 15.902 13.808 1.00 19.58 H new ATOM 0 HG13 ILE B 840 -5.433 16.409 13.188 1.00 19.58 H new ATOM 0 HG21 ILE B 840 -8.317 18.394 13.862 1.00 21.69 H new ATOM 0 HG22 ILE B 840 -8.885 18.390 12.384 1.00 21.69 H new ATOM 0 HG23 ILE B 840 -8.921 17.064 13.250 1.00 21.69 H new ATOM 0 HD11 ILE B 840 -5.491 16.944 15.459 1.00 19.97 H new ATOM 0 HD12 ILE B 840 -5.468 18.282 14.611 1.00 19.97 H new ATOM 0 HD13 ILE B 840 -6.826 17.767 15.242 1.00 19.97 H new ATOM 2683 N PHE B 841 -7.870 18.395 9.726 1.00 21.44 N ATOM 2684 CA PHE B 841 -8.824 19.209 8.897 1.00 24.89 C ATOM 2685 C PHE B 841 -8.981 18.601 7.537 1.00 27.75 C ATOM 2686 O PHE B 841 -10.084 18.624 6.970 1.00 24.78 O ATOM 2687 CB PHE B 841 -8.361 20.651 8.831 1.00 22.58 C ATOM 2688 CG PHE B 841 -8.086 21.223 10.198 1.00 27.71 C ATOM 2689 CD1 PHE B 841 -9.106 21.284 11.137 1.00 27.31 C ATOM 2690 CD2 PHE B 841 -6.809 21.644 10.564 1.00 27.26 C ATOM 2691 CE1 PHE B 841 -8.864 21.728 12.419 1.00 28.43 C ATOM 2692 CE2 PHE B 841 -6.545 22.099 11.845 1.00 28.60 C ATOM 2693 CZ PHE B 841 -7.591 22.162 12.771 1.00 29.16 C ATOM 0 H PHE B 841 -7.077 18.723 9.785 1.00 21.44 H new ATOM 0 HA PHE B 841 -9.699 19.205 9.316 1.00 24.89 H new ATOM 0 HB2 PHE B 841 -7.557 20.707 8.291 1.00 22.58 H new ATOM 0 HB3 PHE B 841 -9.038 21.186 8.388 1.00 22.58 H new ATOM 0 HD1 PHE B 841 -9.965 21.021 10.898 1.00 27.31 H new ATOM 0 HD2 PHE B 841 -6.122 21.619 9.937 1.00 27.26 H new ATOM 0 HE1 PHE B 841 -9.550 21.737 13.047 1.00 28.43 H new ATOM 0 HE2 PHE B 841 -5.685 22.359 12.086 1.00 28.60 H new ATOM 0 HZ PHE B 841 -7.435 22.495 13.625 1.00 29.16 H new ATOM 2694 N HIS B 842 -7.935 17.916 7.066 1.00 25.35 N ATOM 2695 CA HIS B 842 -8.077 17.111 5.829 1.00 25.66 C ATOM 2696 C HIS B 842 -9.099 16.047 5.914 1.00 26.48 C ATOM 2697 O HIS B 842 -10.008 15.949 5.046 1.00 25.96 O ATOM 2698 CB HIS B 842 -6.714 16.589 5.378 1.00 30.83 C ATOM 2699 CG HIS B 842 -6.799 15.628 4.233 1.00 35.21 C ATOM 2700 ND1 HIS B 842 -6.768 16.053 2.923 1.00 36.08 N ATOM 2701 CD2 HIS B 842 -6.968 14.278 4.193 1.00 39.14 C ATOM 2702 CE1 HIS B 842 -6.882 15.011 2.121 1.00 37.95 C ATOM 2703 NE2 HIS B 842 -7.024 13.926 2.862 1.00 43.96 N ATOM 0 H HIS B 842 -7.155 17.898 7.428 1.00 25.35 H new ATOM 0 HA HIS B 842 -8.418 17.707 5.144 1.00 25.66 H new ATOM 0 HB2 HIS B 842 -6.156 17.340 5.122 1.00 30.83 H new ATOM 0 HB3 HIS B 842 -6.277 16.153 6.127 1.00 30.83 H new ATOM 0 HD2 HIS B 842 -7.033 13.705 4.922 1.00 39.14 H new ATOM 0 HE1 HIS B 842 -6.865 15.036 1.191 1.00 37.95 H new ATOM 0 HE2 HIS B 842 -7.134 13.128 2.561 1.00 43.96 H new ATOM 2704 N ASN B 843 -9.029 15.220 6.952 1.00 22.21 N ATOM 2705 CA ASN B 843 -9.925 14.162 7.150 1.00 22.16 C ATOM 2706 C ASN B 843 -11.357 14.683 7.272 1.00 25.16 C ATOM 2707 O ASN B 843 -12.308 14.010 6.812 1.00 25.70 O ATOM 2708 CB ASN B 843 -9.562 13.334 8.375 1.00 23.49 C ATOM 2709 CG ASN B 843 -8.318 12.493 8.144 1.00 26.40 C ATOM 2710 OD1 ASN B 843 -7.867 12.317 6.979 1.00 25.14 O ATOM 2711 ND2 ASN B 843 -7.753 11.993 9.212 1.00 24.45 N ATOM 0 H ASN B 843 -8.429 15.284 7.565 1.00 22.21 H new ATOM 0 HA ASN B 843 -9.864 13.584 6.373 1.00 22.16 H new ATOM 0 HB2 ASN B 843 -9.417 13.923 9.132 1.00 23.49 H new ATOM 0 HB3 ASN B 843 -10.305 12.755 8.605 1.00 23.49 H new ATOM 0 HD21 ASN B 843 -7.039 11.519 9.139 1.00 24.45 H new ATOM 0 HD22 ASN B 843 -8.095 12.138 9.988 1.00 24.45 H new ATOM 2712 N HIS B 844 -11.503 15.798 7.998 1.00 23.06 N ATOM 2713 CA HIS B 844 -12.863 16.378 8.188 1.00 24.47 C ATOM 2714 C HIS B 844 -13.525 16.745 6.796 1.00 25.94 C ATOM 2715 O HIS B 844 -14.648 16.406 6.549 1.00 24.79 O ATOM 2716 CB HIS B 844 -12.749 17.609 9.029 1.00 25.18 C ATOM 2717 CG HIS B 844 -14.026 18.314 9.238 1.00 24.20 C ATOM 2718 ND1 HIS B 844 -14.868 17.993 10.294 1.00 24.83 N ATOM 2719 CD2 HIS B 844 -14.590 19.357 8.590 1.00 24.04 C ATOM 2720 CE1 HIS B 844 -15.926 18.786 10.255 1.00 25.95 C ATOM 2721 NE2 HIS B 844 -15.807 19.598 9.219 1.00 25.70 N ATOM 0 H HIS B 844 -10.862 16.227 8.379 1.00 23.06 H new ATOM 0 HA HIS B 844 -13.426 15.721 8.626 1.00 24.47 H new ATOM 0 HB2 HIS B 844 -12.379 17.366 9.892 1.00 25.18 H new ATOM 0 HB3 HIS B 844 -12.119 18.217 8.612 1.00 25.18 H new ATOM 0 HD2 HIS B 844 -14.235 19.822 7.867 1.00 24.04 H new ATOM 0 HE1 HIS B 844 -16.635 18.774 10.856 1.00 25.95 H new ATOM 0 HE2 HIS B 844 -16.389 20.182 8.973 1.00 25.70 H new ATOM 2722 N LYS B 845 -12.788 17.395 5.945 1.00 25.46 N ATOM 2723 CA LYS B 845 -13.263 17.774 4.586 1.00 31.42 C ATOM 2724 C LYS B 845 -13.534 16.507 3.778 1.00 32.11 C ATOM 2725 O LYS B 845 -14.544 16.452 3.140 1.00 29.27 O ATOM 2726 CB LYS B 845 -12.244 18.668 3.941 1.00 37.72 C ATOM 2727 CG LYS B 845 -12.552 19.075 2.504 1.00 57.98 C ATOM 2728 CD LYS B 845 -11.440 19.881 1.781 1.00 65.75 C ATOM 2729 CE LYS B 845 -10.016 19.306 1.914 1.00 73.87 C ATOM 2730 NZ LYS B 845 -9.813 17.854 1.587 1.00 76.62 N ATOM 0 H LYS B 845 -11.983 17.646 6.113 1.00 25.46 H new ATOM 0 HA LYS B 845 -14.095 18.270 4.633 1.00 31.42 H new ATOM 0 HB2 LYS B 845 -12.154 19.471 4.477 1.00 37.72 H new ATOM 0 HB3 LYS B 845 -11.384 18.219 3.957 1.00 37.72 H new ATOM 0 HG2 LYS B 845 -12.734 18.273 1.990 1.00 57.98 H new ATOM 0 HG3 LYS B 845 -13.365 19.604 2.502 1.00 57.98 H new ATOM 0 HD2 LYS B 845 -11.663 19.938 0.839 1.00 65.75 H new ATOM 0 HD3 LYS B 845 -11.441 20.787 2.128 1.00 65.75 H new ATOM 0 HE2 LYS B 845 -9.430 19.825 1.341 1.00 73.87 H new ATOM 0 HE3 LYS B 845 -9.721 19.450 2.827 1.00 73.87 H new ATOM 0 HZ1 LYS B 845 -8.956 17.641 1.701 1.00 76.62 H new ATOM 0 HZ2 LYS B 845 -10.316 17.355 2.125 1.00 76.62 H new ATOM 0 HZ3 LYS B 845 -10.046 17.705 0.741 1.00 76.62 H new ATOM 2731 N GLU B 846 -12.729 15.428 3.861 1.00 28.93 N ATOM 2732 CA GLU B 846 -13.008 14.228 3.066 1.00 31.76 C ATOM 2733 C GLU B 846 -14.147 13.436 3.517 1.00 31.68 C ATOM 2734 O GLU B 846 -14.715 12.661 2.738 1.00 34.40 O ATOM 2735 CB GLU B 846 -11.785 13.277 2.941 1.00 32.96 C ATOM 2736 CG GLU B 846 -10.590 13.885 2.252 1.00 38.95 C ATOM 2737 CD GLU B 846 -10.829 14.089 0.768 1.00 47.27 C ATOM 2738 OE1 GLU B 846 -11.433 13.185 0.138 1.00 43.57 O ATOM 2739 OE2 GLU B 846 -10.486 15.186 0.267 1.00 46.26 O ATOM 0 H GLU B 846 -12.032 15.377 4.363 1.00 28.93 H new ATOM 0 HA GLU B 846 -13.229 14.606 2.200 1.00 31.76 H new ATOM 0 HB2 GLU B 846 -11.521 12.990 3.829 1.00 32.96 H new ATOM 0 HB3 GLU B 846 -12.055 12.483 2.454 1.00 32.96 H new ATOM 0 HG2 GLU B 846 -10.379 14.737 2.665 1.00 38.95 H new ATOM 0 HG3 GLU B 846 -9.819 13.311 2.378 1.00 38.95 H new ATOM 2740 N PHE B 847 -14.565 13.616 4.760 1.00 25.11 N ATOM 2741 CA PHE B 847 -15.636 12.843 5.245 1.00 25.53 C ATOM 2742 C PHE B 847 -16.967 13.590 4.980 1.00 25.08 C ATOM 2743 O PHE B 847 -17.931 12.928 4.657 1.00 26.25 O ATOM 2744 CB PHE B 847 -15.552 12.604 6.777 1.00 24.23 C ATOM 2745 CG PHE B 847 -16.616 11.721 7.299 1.00 23.47 C ATOM 2746 CD1 PHE B 847 -16.608 10.338 7.078 1.00 24.34 C ATOM 2747 CD2 PHE B 847 -17.632 12.243 8.053 1.00 26.39 C ATOM 2748 CE1 PHE B 847 -17.584 9.550 7.567 1.00 25.38 C ATOM 2749 CE2 PHE B 847 -18.627 11.452 8.542 1.00 29.36 C ATOM 2750 CZ PHE B 847 -18.605 10.093 8.316 1.00 30.03 C ATOM 0 H PHE B 847 -14.232 14.180 5.318 1.00 25.11 H new ATOM 0 HA PHE B 847 -15.593 11.989 4.787 1.00 25.53 H new ATOM 0 HB2 PHE B 847 -14.688 12.217 6.989 1.00 24.23 H new ATOM 0 HB3 PHE B 847 -15.599 13.459 7.233 1.00 24.23 H new ATOM 0 HD1 PHE B 847 -15.917 9.958 6.585 1.00 24.34 H new ATOM 0 HD2 PHE B 847 -17.643 13.155 8.235 1.00 26.39 H new ATOM 0 HE1 PHE B 847 -17.569 8.636 7.399 1.00 25.38 H new ATOM 0 HE2 PHE B 847 -19.323 11.830 9.030 1.00 29.36 H new ATOM 0 HZ PHE B 847 -19.272 9.548 8.665 1.00 30.03 H new ATOM 2751 N TYR B 848 -16.964 14.872 5.313 1.00 24.11 N ATOM 2752 CA TYR B 848 -18.217 15.676 5.270 1.00 27.58 C ATOM 2753 C TYR B 848 -18.499 16.172 3.841 1.00 27.82 C ATOM 2754 O TYR B 848 -19.677 16.396 3.519 1.00 27.96 O ATOM 2755 CB TYR B 848 -18.270 16.775 6.305 1.00 24.40 C ATOM 2756 CG TYR B 848 -18.498 16.212 7.684 1.00 23.05 C ATOM 2757 CD1 TYR B 848 -19.671 15.591 8.054 1.00 21.60 C ATOM 2758 CD2 TYR B 848 -17.443 16.153 8.625 1.00 24.54 C ATOM 2759 CE1 TYR B 848 -19.847 15.015 9.287 1.00 23.86 C ATOM 2760 CE2 TYR B 848 -17.640 15.565 9.864 1.00 24.58 C ATOM 2761 CZ TYR B 848 -18.811 14.997 10.190 1.00 24.04 C ATOM 2762 OH TYR B 848 -19.077 14.473 11.410 1.00 23.46 O ATOM 0 H TYR B 848 -16.266 15.306 5.566 1.00 24.11 H new ATOM 0 HA TYR B 848 -18.942 15.082 5.520 1.00 27.58 H new ATOM 0 HB2 TYR B 848 -17.440 17.277 6.291 1.00 24.40 H new ATOM 0 HB3 TYR B 848 -18.981 17.397 6.085 1.00 24.40 H new ATOM 0 HD1 TYR B 848 -20.372 15.561 7.443 1.00 21.60 H new ATOM 0 HD2 TYR B 848 -16.612 16.511 8.410 1.00 24.54 H new ATOM 0 HE1 TYR B 848 -20.667 14.637 9.511 1.00 23.86 H new ATOM 0 HE2 TYR B 848 -16.946 15.564 10.483 1.00 24.58 H new ATOM 0 HH TYR B 848 -19.671 13.884 11.339 1.00 23.46 H new ATOM 2763 N ARG B 849 -17.466 16.276 3.010 1.00 30.28 N ATOM 2764 CA ARG B 849 -17.617 16.543 1.545 1.00 33.70 C ATOM 2765 C ARG B 849 -18.553 17.710 1.272 1.00 37.66 C ATOM 2766 O ARG B 849 -18.214 18.859 1.636 1.00 38.45 O ATOM 2767 CB ARG B 849 -17.920 15.249 0.785 1.00 34.98 C ATOM 2768 CG ARG B 849 -16.919 14.130 1.182 1.00 36.49 C ATOM 2769 CD ARG B 849 -16.953 12.855 0.316 1.00 38.84 C ATOM 2770 NE ARG B 849 -16.300 13.134 -0.942 1.00 38.34 N ATOM 2771 CZ ARG B 849 -14.978 13.149 -1.158 1.00 43.69 C ATOM 2772 NH1 ARG B 849 -14.088 12.856 -0.201 1.00 39.58 N ATOM 2773 NH2 ARG B 849 -14.517 13.497 -2.364 1.00 38.61 N ATOM 0 H ARG B 849 -16.648 16.196 3.264 1.00 30.28 H new ATOM 0 HA ARG B 849 -16.769 16.848 1.185 1.00 33.70 H new ATOM 0 HB2 ARG B 849 -18.826 14.961 0.976 1.00 34.98 H new ATOM 0 HB3 ARG B 849 -17.869 15.410 -0.170 1.00 34.98 H new ATOM 0 HG2 ARG B 849 -16.022 14.497 1.151 1.00 36.49 H new ATOM 0 HG3 ARG B 849 -17.091 13.879 2.103 1.00 36.49 H new ATOM 0 HD2 ARG B 849 -16.506 12.126 0.773 1.00 38.84 H new ATOM 0 HD3 ARG B 849 -17.869 12.575 0.165 1.00 38.84 H new ATOM 0 HE ARG B 849 -16.807 13.307 -1.615 1.00 38.34 H new ATOM 0 HH11 ARG B 849 -14.358 12.648 0.588 1.00 39.58 H new ATOM 0 HH12 ARG B 849 -13.246 12.876 -0.376 1.00 39.58 H new ATOM 0 HH21 ARG B 849 -15.067 13.708 -2.990 1.00 38.61 H new ATOM 0 HH22 ARG B 849 -13.670 13.510 -2.513 1.00 38.61 H new ATOM 2774 N GLU B 850 -19.709 17.457 0.662 1.00 39.96 N ATOM 2775 CA AGLU B 850 -20.635 18.539 0.267 0.44 39.64 C ATOM 2776 CA BGLU B 850 -20.623 18.535 0.255 0.56 43.17 C ATOM 2777 C GLU B 850 -21.432 19.148 1.412 1.00 41.04 C ATOM 2778 O GLU B 850 -21.961 20.274 1.282 1.00 37.81 O ATOM 2779 CB AGLU B 850 -21.613 18.066 -0.828 0.44 40.53 C ATOM 2780 CB BGLU B 850 -21.556 18.053 -0.887 0.56 48.87 C ATOM 2781 CG AGLU B 850 -21.221 18.562 -2.199 0.44 39.89 C ATOM 2782 CG BGLU B 850 -22.697 17.108 -0.500 0.56 53.03 C ATOM 2783 CD AGLU B 850 -19.806 18.225 -2.524 0.44 40.95 C ATOM 2784 CD BGLU B 850 -22.332 15.641 -0.584 0.56 58.94 C ATOM 2785 OE1AGLU B 850 -18.993 19.152 -2.766 0.44 41.43 O ATOM 2786 OE1BGLU B 850 -22.796 14.988 -1.541 0.56 65.60 O ATOM 2787 OE2AGLU B 850 -19.512 17.019 -2.521 0.44 45.75 O ATOM 2788 OE2BGLU B 850 -21.596 15.147 0.300 0.56 55.48 O ATOM 0 H AGLU B 850 -19.983 16.666 0.464 0.44 39.96 H new ATOM 0 H BGLU B 850 -19.987 16.666 0.472 0.56 39.96 H new ATOM 0 HA AGLU B 850 -20.054 19.238 -0.072 0.44 43.17 H new ATOM 0 HA BGLU B 850 -20.060 19.254 -0.071 0.56 43.17 H new ATOM 0 HB2AGLU B 850 -21.645 17.097 -0.834 0.44 48.87 H new ATOM 0 HB2BGLU B 850 -21.943 18.835 -1.311 0.56 48.87 H new ATOM 0 HB3AGLU B 850 -22.507 18.378 -0.617 0.44 48.87 H new ATOM 0 HB3BGLU B 850 -21.010 17.609 -1.555 0.56 48.87 H new ATOM 0 HG2AGLU B 850 -21.808 18.171 -2.865 0.44 53.03 H new ATOM 0 HG2BGLU B 850 -22.980 17.311 0.405 0.56 53.03 H new ATOM 0 HG3AGLU B 850 -21.343 19.523 -2.243 0.44 53.03 H new ATOM 0 HG3BGLU B 850 -23.456 17.277 -1.079 0.56 53.03 H new ATOM 2789 N ASP B 851 -21.541 18.414 2.525 1.00 35.79 N ATOM 2790 CA ASP B 851 -22.254 18.930 3.684 1.00 34.66 C ATOM 2791 C ASP B 851 -21.676 20.226 4.186 1.00 32.69 C ATOM 2792 O ASP B 851 -20.448 20.443 4.246 1.00 34.52 O ATOM 2793 CB ASP B 851 -22.316 17.901 4.797 1.00 39.60 C ATOM 2794 CG ASP B 851 -23.364 18.236 5.873 1.00 39.50 C ATOM 2795 OD1 ASP B 851 -23.226 19.222 6.651 1.00 34.93 O ATOM 2796 OD2 ASP B 851 -24.306 17.428 5.985 1.00 40.27 O ATOM 0 H ASP B 851 -21.212 17.626 2.623 1.00 35.79 H new ATOM 0 HA ASP B 851 -23.159 19.117 3.390 1.00 34.66 H new ATOM 0 HB2 ASP B 851 -22.518 17.032 4.416 1.00 39.60 H new ATOM 0 HB3 ASP B 851 -21.443 17.831 5.214 1.00 39.60 H new ATOM 2797 N LYS B 852 -22.561 21.144 4.556 1.00 26.66 N ATOM 2798 CA LYS B 852 -22.100 22.427 5.014 1.00 28.88 C ATOM 2799 C LYS B 852 -21.193 22.382 6.267 1.00 26.04 C ATOM 2800 O LYS B 852 -20.507 23.367 6.588 1.00 27.38 O ATOM 2801 CB LYS B 852 -23.279 23.324 5.265 1.00 33.46 C ATOM 2802 CG LYS B 852 -24.260 22.773 6.270 1.00 37.26 C ATOM 2803 CD LYS B 852 -25.378 23.796 6.526 1.00 43.31 C ATOM 2804 CE LYS B 852 -26.367 23.282 7.584 1.00 45.27 C ATOM 2805 NZ LYS B 852 -27.632 24.056 7.690 1.00 43.26 N ATOM 0 H LYS B 852 -23.415 21.040 4.547 1.00 26.66 H new ATOM 0 HA LYS B 852 -21.540 22.777 4.304 1.00 28.88 H new ATOM 0 HB2 LYS B 852 -22.959 24.185 5.576 1.00 33.46 H new ATOM 0 HB3 LYS B 852 -23.741 23.479 4.426 1.00 33.46 H new ATOM 0 HG2 LYS B 852 -24.639 21.943 5.942 1.00 37.26 H new ATOM 0 HG3 LYS B 852 -23.803 22.567 7.100 1.00 37.26 H new ATOM 0 HD2 LYS B 852 -24.991 24.635 6.821 1.00 43.31 H new ATOM 0 HD3 LYS B 852 -25.850 23.977 5.698 1.00 43.31 H new ATOM 0 HE2 LYS B 852 -26.585 22.359 7.382 1.00 45.27 H new ATOM 0 HE3 LYS B 852 -25.927 23.287 8.448 1.00 45.27 H new ATOM 0 HZ1 LYS B 852 -28.148 23.697 8.321 1.00 43.26 H new ATOM 0 HZ2 LYS B 852 -27.447 24.900 7.903 1.00 43.26 H new ATOM 0 HZ3 LYS B 852 -28.060 24.034 6.910 1.00 43.26 H new ATOM 2806 N PHE B 853 -21.303 21.266 6.979 1.00 27.59 N ATOM 2807 CA PHE B 853 -20.483 21.023 8.210 1.00 24.35 C ATOM 2808 C PHE B 853 -18.980 21.051 7.860 1.00 27.60 C ATOM 2809 O PHE B 853 -18.149 21.358 8.708 1.00 24.46 O ATOM 2810 CB PHE B 853 -20.939 19.725 8.856 1.00 24.60 C ATOM 2811 CG PHE B 853 -20.383 19.518 10.274 1.00 23.32 C ATOM 2812 CD1 PHE B 853 -20.642 20.459 11.262 1.00 25.84 C ATOM 2813 CD2 PHE B 853 -19.559 18.443 10.573 1.00 23.46 C ATOM 2814 CE1 PHE B 853 -20.136 20.295 12.550 1.00 26.16 C ATOM 2815 CE2 PHE B 853 -19.083 18.241 11.867 1.00 25.45 C ATOM 2816 CZ PHE B 853 -19.365 19.189 12.852 1.00 25.02 C ATOM 0 H PHE B 853 -21.841 20.625 6.782 1.00 27.59 H new ATOM 0 HA PHE B 853 -20.616 21.729 8.862 1.00 24.35 H new ATOM 0 HB2 PHE B 853 -21.908 19.713 8.891 1.00 24.60 H new ATOM 0 HB3 PHE B 853 -20.666 18.981 8.297 1.00 24.60 H new ATOM 0 HD1 PHE B 853 -21.158 21.206 11.062 1.00 25.84 H new ATOM 0 HD2 PHE B 853 -19.320 17.848 9.899 1.00 23.46 H new ATOM 0 HE1 PHE B 853 -20.317 20.929 13.206 1.00 26.16 H new ATOM 0 HE2 PHE B 853 -18.583 17.484 12.072 1.00 25.45 H new ATOM 0 HZ PHE B 853 -19.033 19.076 13.713 1.00 25.02 H new ATOM 2817 N THR B 854 -18.633 20.841 6.591 1.00 28.52 N ATOM 2818 CA ATHR B 854 -17.221 21.017 6.090 0.45 28.81 C ATOM 2819 CA BTHR B 854 -17.220 20.977 6.179 0.55 28.30 C ATOM 2820 C THR B 854 -16.617 22.322 6.521 1.00 27.00 C ATOM 2821 O THR B 854 -15.429 22.421 6.783 1.00 24.98 O ATOM 2822 CB ATHR B 854 -17.106 20.972 4.521 0.45 30.97 C ATOM 2823 CB BTHR B 854 -17.064 20.680 4.668 0.55 28.36 C ATOM 2824 OG1ATHR B 854 -15.770 20.720 4.102 0.45 28.83 O ATOM 2825 OG1BTHR B 854 -17.993 21.486 3.925 0.55 40.88 O ATOM 2826 CG2ATHR B 854 -17.468 22.320 3.862 0.45 32.61 C ATOM 2827 CG2BTHR B 854 -17.362 19.297 4.406 0.55 22.98 C ATOM 0 H ATHR B 854 -19.189 20.594 5.984 0.45 28.52 H new ATOM 0 H BTHR B 854 -19.178 20.624 5.962 0.55 28.52 H new ATOM 0 HA ATHR B 854 -16.744 20.268 6.481 0.45 28.30 H new ATOM 0 HA BTHR B 854 -16.724 20.320 6.691 0.55 28.30 H new ATOM 0 HB ATHR B 854 -17.719 20.269 4.254 0.45 28.36 H new ATOM 0 HB BTHR B 854 -16.152 20.879 4.403 0.55 28.36 H new ATOM 0 HG1ATHR B 854 -15.738 20.700 3.263 0.45 40.88 H new ATOM 0 HG1BTHR B 854 -18.761 21.150 3.979 0.55 40.88 H new ATOM 0 HG21ATHR B 854 -17.383 22.243 2.899 0.45 22.98 H new ATOM 0 HG21BTHR B 854 -17.262 19.118 3.458 0.55 22.98 H new ATOM 0 HG22ATHR B 854 -18.382 22.556 4.087 0.45 22.98 H new ATOM 0 HG22BTHR B 854 -16.751 18.734 4.907 0.55 22.98 H new ATOM 0 HG23ATHR B 854 -16.868 23.010 4.185 0.45 22.98 H new ATOM 0 HG23BTHR B 854 -18.274 19.105 4.677 0.55 22.98 H new ATOM 2828 N ARG B 855 -17.433 23.395 6.550 1.00 23.62 N ATOM 2829 CA ARG B 855 -16.942 24.697 6.820 1.00 25.38 C ATOM 2830 C ARG B 855 -16.298 24.806 8.238 1.00 22.86 C ATOM 2831 O ARG B 855 -15.477 25.651 8.392 1.00 24.95 O ATOM 2832 CB ARG B 855 -18.073 25.704 6.635 1.00 29.53 C ATOM 2833 CG ARG B 855 -17.806 27.106 6.981 1.00 36.64 C ATOM 2834 CD ARG B 855 -19.031 27.961 6.550 1.00 43.07 C ATOM 2835 NE ARG B 855 -18.865 29.377 6.896 1.00 51.97 N ATOM 2836 CZ ARG B 855 -19.390 30.024 7.950 1.00 55.50 C ATOM 2837 NH1 ARG B 855 -20.204 29.435 8.871 1.00 48.85 N ATOM 2838 NH2 ARG B 855 -19.109 31.324 8.062 1.00 53.66 N ATOM 0 H ARG B 855 -18.281 23.357 6.410 1.00 23.62 H new ATOM 0 HA ARG B 855 -16.230 24.896 6.191 1.00 25.38 H new ATOM 0 HB2 ARG B 855 -18.350 25.674 5.706 1.00 29.53 H new ATOM 0 HB3 ARG B 855 -18.828 25.405 7.165 1.00 29.53 H new ATOM 0 HG2 ARG B 855 -17.652 27.195 7.935 1.00 36.64 H new ATOM 0 HG3 ARG B 855 -17.003 27.417 6.534 1.00 36.64 H new ATOM 0 HD2 ARG B 855 -19.162 27.876 5.593 1.00 43.07 H new ATOM 0 HD3 ARG B 855 -19.831 27.617 6.977 1.00 43.07 H new ATOM 0 HE ARG B 855 -18.377 29.845 6.365 1.00 51.97 H new ATOM 0 HH11 ARG B 855 -20.408 28.603 8.795 1.00 48.85 H new ATOM 0 HH12 ARG B 855 -20.514 29.895 9.528 1.00 48.85 H new ATOM 0 HH21 ARG B 855 -18.613 31.709 7.475 1.00 53.66 H new ATOM 0 HH22 ARG B 855 -19.424 31.777 8.722 1.00 53.66 H new ATOM 2839 N LEU B 856 -16.735 23.995 9.209 1.00 23.07 N ATOM 2840 CA LEU B 856 -16.142 24.022 10.563 1.00 25.31 C ATOM 2841 C LEU B 856 -14.612 23.729 10.459 1.00 21.58 C ATOM 2842 O LEU B 856 -13.806 24.400 11.084 1.00 26.83 O ATOM 2843 CB LEU B 856 -16.797 23.010 11.506 1.00 26.95 C ATOM 2844 CG LEU B 856 -17.985 23.528 12.343 1.00 32.37 C ATOM 2845 CD1 LEU B 856 -17.547 24.774 13.127 1.00 33.56 C ATOM 2846 CD2 LEU B 856 -19.168 23.852 11.421 1.00 32.54 C ATOM 0 H LEU B 856 -17.370 23.424 9.109 1.00 23.07 H new ATOM 0 HA LEU B 856 -16.296 24.904 10.936 1.00 25.31 H new ATOM 0 HB2 LEU B 856 -17.102 22.255 10.979 1.00 26.95 H new ATOM 0 HB3 LEU B 856 -16.119 22.676 12.114 1.00 26.95 H new ATOM 0 HG LEU B 856 -18.267 22.846 12.972 1.00 32.37 H new ATOM 0 HD11 LEU B 856 -18.292 25.103 13.655 1.00 33.56 H new ATOM 0 HD12 LEU B 856 -16.811 24.544 13.715 1.00 33.56 H new ATOM 0 HD13 LEU B 856 -17.262 25.463 12.507 1.00 33.56 H new ATOM 0 HD21 LEU B 856 -19.912 24.177 11.951 1.00 32.54 H new ATOM 0 HD22 LEU B 856 -18.904 24.533 10.783 1.00 32.54 H new ATOM 0 HD23 LEU B 856 -19.437 23.051 10.945 1.00 32.54 H new ATOM 2847 N GLY B 857 -14.280 22.800 9.597 1.00 25.18 N ATOM 2848 CA GLY B 857 -12.874 22.391 9.363 1.00 24.06 C ATOM 2849 C GLY B 857 -12.083 23.508 8.745 1.00 26.74 C ATOM 2850 O GLY B 857 -10.983 23.787 9.169 1.00 27.73 O ATOM 0 H GLY B 857 -14.852 22.373 9.117 1.00 25.18 H new ATOM 0 HA2 GLY B 857 -12.466 22.128 10.203 1.00 24.06 H new ATOM 0 HA3 GLY B 857 -12.852 21.615 8.782 1.00 24.06 H new ATOM 2851 N ILE B 858 -12.670 24.227 7.756 1.00 25.24 N ATOM 2852 CA ILE B 858 -12.048 25.396 7.222 1.00 24.93 C ATOM 2853 C ILE B 858 -11.812 26.485 8.240 1.00 26.61 C ATOM 2854 O ILE B 858 -10.766 27.131 8.263 1.00 25.64 O ATOM 2855 CB ILE B 858 -12.886 25.910 5.959 1.00 29.93 C ATOM 2856 CG1 ILE B 858 -12.875 24.856 4.858 1.00 36.51 C ATOM 2857 CG2 ILE B 858 -12.310 27.203 5.416 1.00 31.40 C ATOM 2858 CD1 ILE B 858 -14.005 25.020 3.857 1.00 42.00 C ATOM 0 H ILE B 858 -13.428 24.030 7.401 1.00 25.24 H new ATOM 0 HA ILE B 858 -11.156 25.147 6.934 1.00 24.93 H new ATOM 0 HB ILE B 858 -13.797 26.070 6.251 1.00 29.93 H new ATOM 0 HG12 ILE B 858 -12.027 24.897 4.389 1.00 36.51 H new ATOM 0 HG13 ILE B 858 -12.934 23.976 5.261 1.00 36.51 H new ATOM 0 HG21 ILE B 858 -12.833 27.495 4.653 1.00 31.40 H new ATOM 0 HG22 ILE B 858 -12.337 27.884 6.106 1.00 31.40 H new ATOM 0 HG23 ILE B 858 -11.391 27.058 5.142 1.00 31.40 H new ATOM 0 HD11 ILE B 858 -13.945 24.324 3.184 1.00 42.00 H new ATOM 0 HD12 ILE B 858 -14.857 24.953 4.316 1.00 42.00 H new ATOM 0 HD13 ILE B 858 -13.936 25.888 3.430 1.00 42.00 H new ATOM 2859 N GLN B 859 -12.840 26.759 9.082 1.00 25.47 N ATOM 2860 CA GLN B 859 -12.724 27.805 10.053 1.00 25.11 C ATOM 2861 C GLN B 859 -11.592 27.516 11.123 1.00 23.23 C ATOM 2862 O GLN B 859 -10.841 28.397 11.510 1.00 24.70 O ATOM 2863 CB GLN B 859 -14.066 27.913 10.760 1.00 26.35 C ATOM 2864 CG GLN B 859 -15.114 28.557 9.833 1.00 29.80 C ATOM 2865 CD GLN B 859 -16.468 28.652 10.475 1.00 34.00 C ATOM 2866 OE1 GLN B 859 -16.944 27.700 11.098 1.00 34.31 O ATOM 2867 NE2 GLN B 859 -17.087 29.834 10.369 1.00 36.78 N ATOM 0 H GLN B 859 -13.592 26.341 9.086 1.00 25.47 H new ATOM 0 HA GLN B 859 -12.481 28.628 9.601 1.00 25.11 H new ATOM 0 HB2 GLN B 859 -14.366 27.032 11.033 1.00 26.35 H new ATOM 0 HB3 GLN B 859 -13.971 28.443 11.567 1.00 26.35 H new ATOM 0 HG2 GLN B 859 -14.816 29.445 9.580 1.00 29.80 H new ATOM 0 HG3 GLN B 859 -15.182 28.038 9.017 1.00 29.80 H new ATOM 0 HE21 GLN B 859 -16.721 30.473 9.925 1.00 36.78 H new ATOM 0 HE22 GLN B 859 -17.851 29.955 10.745 1.00 36.78 H new ATOM 2868 N VAL B 860 -11.576 26.283 11.609 1.00 23.00 N ATOM 2869 CA VAL B 860 -10.587 25.928 12.648 1.00 22.87 C ATOM 2870 C VAL B 860 -9.210 25.849 12.002 1.00 22.04 C ATOM 2871 O VAL B 860 -8.280 26.374 12.611 1.00 21.92 O ATOM 2872 CB VAL B 860 -10.997 24.687 13.423 1.00 23.62 C ATOM 2873 CG1 VAL B 860 -9.933 24.249 14.441 1.00 22.88 C ATOM 2874 CG2 VAL B 860 -12.350 24.945 14.114 1.00 22.99 C ATOM 0 H VAL B 860 -12.105 25.649 11.368 1.00 23.00 H new ATOM 0 HA VAL B 860 -10.548 26.619 13.327 1.00 22.87 H new ATOM 0 HB VAL B 860 -11.085 23.955 12.793 1.00 23.62 H new ATOM 0 HG11 VAL B 860 -10.239 23.456 14.909 1.00 22.88 H new ATOM 0 HG12 VAL B 860 -9.104 24.051 13.978 1.00 22.88 H new ATOM 0 HG13 VAL B 860 -9.783 24.963 15.080 1.00 22.88 H new ATOM 0 HG21 VAL B 860 -12.616 24.155 14.610 1.00 22.99 H new ATOM 0 HG22 VAL B 860 -12.265 25.695 14.723 1.00 22.99 H new ATOM 0 HG23 VAL B 860 -13.022 25.147 13.444 1.00 22.99 H new ATOM 2875 N GLN B 861 -9.136 25.323 10.763 1.00 23.83 N ATOM 2876 CA GLN B 861 -7.808 25.326 10.053 1.00 23.58 C ATOM 2877 C GLN B 861 -7.280 26.754 9.897 1.00 22.83 C ATOM 2878 O GLN B 861 -6.096 27.101 10.085 1.00 21.72 O ATOM 2879 CB GLN B 861 -7.837 24.569 8.759 1.00 26.48 C ATOM 2880 CG GLN B 861 -6.390 24.583 8.190 1.00 29.45 C ATOM 2881 CD GLN B 861 -6.092 23.552 7.129 1.00 35.72 C ATOM 2882 OE1 GLN B 861 -6.980 22.857 6.641 1.00 37.35 O ATOM 2883 NE2 GLN B 861 -4.791 23.461 6.748 1.00 38.89 N ATOM 0 H GLN B 861 -9.792 24.977 10.328 1.00 23.83 H new ATOM 0 HA GLN B 861 -7.178 24.844 10.611 1.00 23.58 H new ATOM 0 HB2 GLN B 861 -8.141 23.659 8.901 1.00 26.48 H new ATOM 0 HB3 GLN B 861 -8.455 24.980 8.135 1.00 26.48 H new ATOM 0 HG2 GLN B 861 -6.214 25.463 7.821 1.00 29.45 H new ATOM 0 HG3 GLN B 861 -5.770 24.455 8.925 1.00 29.45 H new ATOM 0 HE21 GLN B 861 -4.199 23.966 7.115 1.00 38.89 H new ATOM 0 HE22 GLN B 861 -4.559 22.898 6.140 1.00 38.89 H new ATOM 2884 N ASP B 862 -8.156 27.723 9.639 1.00 25.35 N ATOM 2885 CA AASP B 862 -7.673 29.064 9.503 0.50 24.37 C ATOM 2886 CA BASP B 862 -7.706 29.111 9.523 0.50 25.26 C ATOM 2887 C ASP B 862 -7.162 29.691 10.784 1.00 23.67 C ATOM 2888 O ASP B 862 -6.190 30.470 10.778 1.00 24.06 O ATOM 2889 CB AASP B 862 -8.703 29.885 8.734 0.50 27.72 C ATOM 2890 CB BASP B 862 -8.830 30.020 9.049 0.50 29.98 C ATOM 2891 CG AASP B 862 -8.434 29.830 7.235 0.50 29.23 C ATOM 2892 CG BASP B 862 -8.339 31.449 8.751 0.50 33.20 C ATOM 2893 OD1AASP B 862 -8.782 28.828 6.571 0.50 29.32 O ATOM 2894 OD1BASP B 862 -7.230 31.618 8.190 0.50 37.76 O ATOM 2895 OD2AASP B 862 -7.759 30.759 6.766 0.50 38.21 O ATOM 2896 OD2BASP B 862 -9.062 32.408 9.077 0.50 40.21 O ATOM 0 H AASP B 862 -9.004 27.618 9.544 0.50 25.35 H new ATOM 0 H BASP B 862 -9.000 27.603 9.529 0.50 25.35 H new ATOM 0 HA AASP B 862 -6.858 29.045 8.977 0.50 25.26 H new ATOM 0 HA BASP B 862 -6.986 29.071 8.874 0.50 25.26 H new ATOM 0 HB2AASP B 862 -9.594 29.548 8.919 0.50 29.98 H new ATOM 0 HB2BASP B 862 -9.231 29.645 8.250 0.50 29.98 H new ATOM 0 HB3AASP B 862 -8.679 30.806 9.037 0.50 29.98 H new ATOM 0 HB3BASP B 862 -9.524 30.053 9.726 0.50 29.98 H new ATOM 2897 N ILE B 863 -7.746 29.306 11.921 1.00 22.23 N ATOM 2898 CA ILE B 863 -7.188 29.723 13.203 1.00 23.47 C ATOM 2899 C ILE B 863 -5.775 29.094 13.387 1.00 21.27 C ATOM 2900 O ILE B 863 -4.815 29.788 13.750 1.00 21.66 O ATOM 2901 CB ILE B 863 -8.144 29.219 14.339 1.00 26.16 C ATOM 2902 CG1 ILE B 863 -9.554 29.879 14.224 1.00 35.95 C ATOM 2903 CG2 ILE B 863 -7.511 29.342 15.700 1.00 27.63 C ATOM 2904 CD1 ILE B 863 -9.440 31.353 14.396 1.00 39.98 C ATOM 0 H ILE B 863 -8.450 28.814 11.970 1.00 22.23 H new ATOM 0 HA ILE B 863 -7.107 30.689 13.237 1.00 23.47 H new ATOM 0 HB ILE B 863 -8.290 28.268 14.217 1.00 26.16 H new ATOM 0 HG12 ILE B 863 -9.945 29.676 13.360 1.00 35.95 H new ATOM 0 HG13 ILE B 863 -10.147 29.512 14.898 1.00 35.95 H new ATOM 0 HG21 ILE B 863 -8.130 29.022 16.375 1.00 27.63 H new ATOM 0 HG22 ILE B 863 -6.699 28.812 15.729 1.00 27.63 H new ATOM 0 HG23 ILE B 863 -7.296 30.272 15.874 1.00 27.63 H new ATOM 0 HD11 ILE B 863 -10.319 31.756 14.323 1.00 39.98 H new ATOM 0 HD12 ILE B 863 -9.066 31.549 15.269 1.00 39.98 H new ATOM 0 HD13 ILE B 863 -8.861 31.715 13.708 1.00 39.98 H new ATOM 2905 N PHE B 864 -5.681 27.829 13.059 1.00 20.08 N ATOM 2906 CA PHE B 864 -4.316 27.131 13.183 1.00 20.32 C ATOM 2907 C PHE B 864 -3.297 27.867 12.299 1.00 19.12 C ATOM 2908 O PHE B 864 -2.265 28.298 12.742 1.00 22.04 O ATOM 2909 CB PHE B 864 -4.483 25.756 12.725 1.00 20.21 C ATOM 2910 CG PHE B 864 -3.167 25.036 12.562 1.00 21.22 C ATOM 2911 CD1 PHE B 864 -2.365 24.820 13.700 1.00 21.76 C ATOM 2912 CD2 PHE B 864 -2.685 24.763 11.282 1.00 21.96 C ATOM 2913 CE1 PHE B 864 -1.103 24.193 13.560 1.00 20.74 C ATOM 2914 CE2 PHE B 864 -1.457 24.102 11.151 1.00 24.32 C ATOM 2915 CZ PHE B 864 -0.653 23.893 12.258 1.00 21.88 C ATOM 0 H PHE B 864 -6.327 27.339 12.773 1.00 20.08 H new ATOM 0 HA PHE B 864 -3.996 27.140 14.099 1.00 20.32 H new ATOM 0 HB2 PHE B 864 -5.036 25.272 13.358 1.00 20.21 H new ATOM 0 HB3 PHE B 864 -4.955 25.756 11.878 1.00 20.21 H new ATOM 0 HD1 PHE B 864 -2.663 25.088 14.539 1.00 21.76 H new ATOM 0 HD2 PHE B 864 -3.170 25.015 10.530 1.00 21.96 H new ATOM 0 HE1 PHE B 864 -0.586 23.985 14.305 1.00 20.74 H new ATOM 0 HE2 PHE B 864 -1.180 23.802 10.315 1.00 24.32 H new ATOM 0 HZ PHE B 864 0.202 23.547 12.140 1.00 21.88 H new ATOM 2916 N GLU B 865 -3.680 28.078 11.034 1.00 21.70 N ATOM 2917 CA GLU B 865 -2.694 28.666 10.066 1.00 24.02 C ATOM 2918 C GLU B 865 -2.270 30.082 10.394 1.00 25.98 C ATOM 2919 O GLU B 865 -1.102 30.410 10.340 1.00 22.77 O ATOM 2920 CB GLU B 865 -3.217 28.514 8.620 1.00 23.41 C ATOM 2921 CG GLU B 865 -3.462 27.126 8.085 1.00 28.12 C ATOM 2922 CD GLU B 865 -2.174 26.254 7.870 1.00 27.89 C ATOM 2923 OE1 GLU B 865 -1.055 26.808 7.962 1.00 33.68 O ATOM 2924 OE2 GLU B 865 -2.330 25.043 7.630 1.00 27.35 O ATOM 0 H GLU B 865 -4.459 27.904 10.714 1.00 21.70 H new ATOM 0 HA GLU B 865 -1.874 28.155 10.152 1.00 24.02 H new ATOM 0 HB2 GLU B 865 -4.050 29.007 8.554 1.00 23.41 H new ATOM 0 HB3 GLU B 865 -2.583 28.950 8.030 1.00 23.41 H new ATOM 0 HG2 GLU B 865 -4.053 26.659 8.697 1.00 28.12 H new ATOM 0 HG3 GLU B 865 -3.930 27.199 7.239 1.00 28.12 H new ATOM 2925 N LYS B 866 -3.187 30.954 10.837 1.00 27.70 N ATOM 2926 CA LYS B 866 -2.816 32.307 11.249 1.00 31.06 C ATOM 2927 C LYS B 866 -1.937 32.291 12.460 1.00 25.59 C ATOM 2928 O LYS B 866 -1.014 33.082 12.563 1.00 27.35 O ATOM 2929 CB LYS B 866 -4.036 33.157 11.666 1.00 37.51 C ATOM 2930 CG LYS B 866 -4.963 33.550 10.553 1.00 50.83 C ATOM 2931 CD LYS B 866 -6.262 34.164 11.121 1.00 60.09 C ATOM 2932 CE LYS B 866 -6.886 35.171 10.172 1.00 59.53 C ATOM 2933 NZ LYS B 866 -7.358 34.531 8.925 1.00 56.53 N ATOM 0 H LYS B 866 -4.026 30.778 10.905 1.00 27.70 H new ATOM 0 HA LYS B 866 -2.372 32.682 10.473 1.00 31.06 H new ATOM 0 HB2 LYS B 866 -4.543 32.662 12.329 1.00 37.51 H new ATOM 0 HB3 LYS B 866 -3.715 33.964 12.098 1.00 37.51 H new ATOM 0 HG2 LYS B 866 -4.524 34.190 9.970 1.00 50.83 H new ATOM 0 HG3 LYS B 866 -5.176 32.773 10.012 1.00 50.83 H new ATOM 0 HD2 LYS B 866 -6.899 33.456 11.303 1.00 60.09 H new ATOM 0 HD3 LYS B 866 -6.070 34.597 11.968 1.00 60.09 H new ATOM 0 HE2 LYS B 866 -7.630 35.611 10.611 1.00 59.53 H new ATOM 0 HE3 LYS B 866 -6.236 35.859 9.957 1.00 59.53 H new ATOM 0 HZ1 LYS B 866 -7.664 35.154 8.369 1.00 56.53 H new ATOM 0 HZ2 LYS B 866 -6.683 34.096 8.540 1.00 56.53 H new ATOM 0 HZ3 LYS B 866 -8.011 33.957 9.115 1.00 56.53 H new ATOM 2934 N ASN B 867 -2.221 31.392 13.406 1.00 24.32 N ATOM 2935 CA ASN B 867 -1.346 31.381 14.630 1.00 22.05 C ATOM 2936 C ASN B 867 0.038 30.793 14.286 1.00 19.66 C ATOM 2937 O ASN B 867 1.020 31.231 14.830 1.00 23.97 O ATOM 2938 CB ASN B 867 -2.041 30.642 15.817 1.00 22.87 C ATOM 2939 CG ASN B 867 -3.071 31.556 16.532 1.00 23.35 C ATOM 2940 OD1 ASN B 867 -2.658 32.444 17.264 1.00 27.04 O ATOM 2941 ND2 ASN B 867 -4.357 31.397 16.228 1.00 25.70 N ATOM 0 H ASN B 867 -2.859 30.815 13.384 1.00 24.32 H new ATOM 0 HA ASN B 867 -1.207 32.294 14.928 1.00 22.05 H new ATOM 0 HB2 ASN B 867 -2.487 29.846 15.487 1.00 22.87 H new ATOM 0 HB3 ASN B 867 -1.371 30.348 16.454 1.00 22.87 H new ATOM 0 HD21 ASN B 867 -4.945 31.935 16.552 1.00 25.70 H new ATOM 0 HD22 ASN B 867 -4.600 30.757 15.708 1.00 25.70 H new ATOM 2942 N PHE B 868 0.079 29.838 13.369 1.00 22.76 N ATOM 2943 CA PHE B 868 1.363 29.242 12.977 1.00 21.26 C ATOM 2944 C PHE B 868 2.269 30.328 12.367 1.00 24.20 C ATOM 2945 O PHE B 868 3.392 30.505 12.770 1.00 22.72 O ATOM 2946 CB PHE B 868 1.064 28.164 11.942 1.00 21.36 C ATOM 2947 CG PHE B 868 2.282 27.510 11.319 1.00 23.47 C ATOM 2948 CD1 PHE B 868 3.310 26.942 12.101 1.00 23.08 C ATOM 2949 CD2 PHE B 868 2.422 27.500 9.929 1.00 27.77 C ATOM 2950 CE1 PHE B 868 4.410 26.336 11.509 1.00 22.56 C ATOM 2951 CE2 PHE B 868 3.561 26.934 9.356 1.00 31.34 C ATOM 2952 CZ PHE B 868 4.555 26.358 10.162 1.00 24.28 C ATOM 0 H PHE B 868 -0.609 29.520 12.963 1.00 22.76 H new ATOM 0 HA PHE B 868 1.820 28.860 13.743 1.00 21.26 H new ATOM 0 HB2 PHE B 868 0.524 27.476 12.360 1.00 21.36 H new ATOM 0 HB3 PHE B 868 0.528 28.555 11.235 1.00 21.36 H new ATOM 0 HD1 PHE B 868 3.250 26.974 13.028 1.00 23.08 H new ATOM 0 HD2 PHE B 868 1.760 27.868 9.389 1.00 27.77 H new ATOM 0 HE1 PHE B 868 5.048 25.914 12.038 1.00 22.56 H new ATOM 0 HE2 PHE B 868 3.663 26.938 8.432 1.00 31.34 H new ATOM 0 HZ PHE B 868 5.315 25.991 9.771 1.00 24.28 H new ATOM 2953 N ARG B 869 1.732 31.090 11.403 1.00 25.40 N ATOM 2954 CA ARG B 869 2.492 32.260 10.832 1.00 26.36 C ATOM 2955 C ARG B 869 2.880 33.293 11.851 1.00 28.35 C ATOM 2956 O ARG B 869 3.971 33.783 11.821 1.00 30.31 O ATOM 2957 CB ARG B 869 1.759 32.897 9.654 1.00 27.74 C ATOM 2958 CG ARG B 869 1.534 31.930 8.534 1.00 28.74 C ATOM 2959 CD ARG B 869 0.973 32.631 7.313 1.00 32.05 C ATOM 2960 NE ARG B 869 -0.299 33.298 7.591 1.00 34.31 N ATOM 2961 CZ ARG B 869 -1.504 32.769 7.379 1.00 38.14 C ATOM 2962 NH1 ARG B 869 -1.659 31.529 6.895 1.00 36.17 N ATOM 2963 NH2 ARG B 869 -2.588 33.494 7.674 1.00 40.45 N ATOM 0 H ARG B 869 0.952 30.965 11.063 1.00 25.40 H new ATOM 0 HA ARG B 869 3.324 31.883 10.505 1.00 26.36 H new ATOM 0 HB2 ARG B 869 0.905 33.243 9.956 1.00 27.74 H new ATOM 0 HB3 ARG B 869 2.272 33.653 9.328 1.00 27.74 H new ATOM 0 HG2 ARG B 869 2.370 31.495 8.305 1.00 28.74 H new ATOM 0 HG3 ARG B 869 0.922 31.235 8.821 1.00 28.74 H new ATOM 0 HD2 ARG B 869 1.615 33.284 6.994 1.00 32.05 H new ATOM 0 HD3 ARG B 869 0.848 31.985 6.601 1.00 32.05 H new ATOM 0 HE ARG B 869 -0.267 34.093 7.917 1.00 34.31 H new ATOM 0 HH11 ARG B 869 -0.969 31.050 6.712 1.00 36.17 H new ATOM 0 HH12 ARG B 869 -2.449 31.213 6.768 1.00 36.17 H new ATOM 0 HH21 ARG B 869 -2.501 34.287 7.995 1.00 40.45 H new ATOM 0 HH22 ARG B 869 -3.373 33.167 7.543 1.00 40.45 H new ATOM 2964 N ASN B 870 2.004 33.624 12.806 1.00 27.53 N ATOM 2965 CA ASN B 870 2.393 34.587 13.802 1.00 30.43 C ATOM 2966 C ASN B 870 3.445 34.074 14.760 1.00 32.52 C ATOM 2967 O ASN B 870 4.397 34.762 15.074 1.00 30.28 O ATOM 2968 CB ASN B 870 1.185 34.954 14.619 1.00 32.60 C ATOM 2969 CG ASN B 870 1.480 36.036 15.601 1.00 43.99 C ATOM 2970 OD1 ASN B 870 1.439 35.817 16.814 1.00 57.86 O ATOM 2971 ND2 ASN B 870 1.824 37.207 15.096 1.00 51.22 N ATOM 0 H ASN B 870 1.208 33.307 12.883 1.00 27.53 H new ATOM 0 HA ASN B 870 2.767 35.343 13.323 1.00 30.43 H new ATOM 0 HB2 ASN B 870 0.471 35.241 14.028 1.00 32.60 H new ATOM 0 HB3 ASN B 870 0.864 34.169 15.091 1.00 32.60 H new ATOM 0 HD21 ASN B 870 2.032 37.857 15.620 1.00 51.22 H new ATOM 0 HD22 ASN B 870 1.840 37.320 14.244 1.00 51.22 H new ATOM 2972 N ILE B 871 3.216 32.877 15.305 1.00 27.51 N ATOM 2973 CA ILE B 871 4.151 32.301 16.337 1.00 27.03 C ATOM 2974 C ILE B 871 5.559 32.098 15.770 1.00 26.27 C ATOM 2975 O ILE B 871 6.544 32.356 16.445 1.00 30.23 O ATOM 2976 CB ILE B 871 3.556 30.996 16.950 1.00 28.01 C ATOM 2977 CG1 ILE B 871 2.364 31.364 17.787 1.00 29.52 C ATOM 2978 CG2 ILE B 871 4.599 30.235 17.815 1.00 30.80 C ATOM 2979 CD1 ILE B 871 1.385 30.214 18.053 1.00 27.64 C ATOM 0 H ILE B 871 2.545 32.376 15.109 1.00 27.51 H new ATOM 0 HA ILE B 871 4.241 32.942 17.060 1.00 27.03 H new ATOM 0 HB ILE B 871 3.296 30.403 16.228 1.00 28.01 H new ATOM 0 HG12 ILE B 871 2.676 31.709 18.638 1.00 29.52 H new ATOM 0 HG13 ILE B 871 1.886 32.084 17.347 1.00 29.52 H new ATOM 0 HG21 ILE B 871 4.194 29.432 18.178 1.00 30.80 H new ATOM 0 HG22 ILE B 871 5.361 29.993 17.265 1.00 30.80 H new ATOM 0 HG23 ILE B 871 4.894 30.805 18.542 1.00 30.80 H new ATOM 0 HD11 ILE B 871 0.649 30.535 18.597 1.00 27.64 H new ATOM 0 HD12 ILE B 871 1.042 29.880 17.210 1.00 27.64 H new ATOM 0 HD13 ILE B 871 1.845 29.499 18.521 1.00 27.64 H new ATOM 2980 N PHE B 872 5.641 31.622 14.529 1.00 27.68 N ATOM 2981 CA PHE B 872 6.924 31.291 13.888 1.00 26.71 C ATOM 2982 C PHE B 872 7.422 32.399 12.946 1.00 32.80 C ATOM 2983 O PHE B 872 8.421 32.217 12.260 1.00 34.23 O ATOM 2984 CB PHE B 872 6.814 29.955 13.146 1.00 28.74 C ATOM 2985 CG PHE B 872 6.777 28.745 14.090 1.00 29.68 C ATOM 2986 CD1 PHE B 872 7.957 28.188 14.549 1.00 29.63 C ATOM 2987 CD2 PHE B 872 5.569 28.209 14.565 1.00 30.90 C ATOM 2988 CE1 PHE B 872 7.943 27.111 15.435 1.00 25.95 C ATOM 2989 CE2 PHE B 872 5.551 27.108 15.426 1.00 30.07 C ATOM 2990 CZ PHE B 872 6.760 26.540 15.825 1.00 26.19 C ATOM 0 H PHE B 872 4.955 31.480 14.030 1.00 27.68 H new ATOM 0 HA PHE B 872 7.585 31.212 14.594 1.00 26.71 H new ATOM 0 HB2 PHE B 872 6.011 29.959 12.601 1.00 28.74 H new ATOM 0 HB3 PHE B 872 7.567 29.864 12.541 1.00 28.74 H new ATOM 0 HD1 PHE B 872 8.771 28.536 14.263 1.00 29.63 H new ATOM 0 HD2 PHE B 872 4.765 28.594 14.301 1.00 30.90 H new ATOM 0 HE1 PHE B 872 8.746 26.777 15.765 1.00 25.95 H new ATOM 0 HE2 PHE B 872 4.744 26.759 15.728 1.00 30.07 H new ATOM 0 HZ PHE B 872 6.764 25.775 16.355 1.00 26.19 H new ATOM 2991 N ALA B 873 6.751 33.562 12.951 1.00 29.13 N ATOM 2992 CA ALA B 873 7.134 34.716 12.113 1.00 31.85 C ATOM 2993 C ALA B 873 7.332 34.359 10.656 1.00 31.91 C ATOM 2994 O ALA B 873 8.394 34.571 10.107 1.00 38.43 O ATOM 2995 CB ALA B 873 8.358 35.396 12.722 1.00 35.17 C ATOM 0 H ALA B 873 6.059 33.705 13.441 1.00 29.13 H new ATOM 0 HA ALA B 873 6.395 35.344 12.109 1.00 31.85 H new ATOM 0 HB1 ALA B 873 8.613 36.155 12.174 1.00 35.17 H new ATOM 0 HB2 ALA B 873 8.147 35.701 13.618 1.00 35.17 H new ATOM 0 HB3 ALA B 873 9.093 34.765 12.761 1.00 35.17 H new ATOM 2996 N ILE B 874 6.348 33.733 10.036 1.00 35.70 N ATOM 2997 CA ILE B 874 6.497 33.217 8.661 1.00 40.50 C ATOM 2998 C ILE B 874 6.162 34.384 7.747 1.00 48.63 C ATOM 2999 O ILE B 874 5.166 35.051 8.014 1.00 40.64 O ATOM 3000 CB ILE B 874 5.483 32.120 8.337 1.00 39.76 C ATOM 3001 CG1 ILE B 874 5.647 30.905 9.267 1.00 45.59 C ATOM 3002 CG2 ILE B 874 5.503 31.753 6.840 1.00 40.11 C ATOM 3003 CD1 ILE B 874 6.606 29.869 8.800 1.00 51.24 C ATOM 0 H ILE B 874 5.576 33.590 10.386 1.00 35.70 H new ATOM 0 HA ILE B 874 7.390 32.854 8.554 1.00 40.50 H new ATOM 0 HB ILE B 874 4.596 32.471 8.512 1.00 39.76 H new ATOM 0 HG12 ILE B 874 5.934 31.220 10.138 1.00 45.59 H new ATOM 0 HG13 ILE B 874 4.779 30.490 9.387 1.00 45.59 H new ATOM 0 HG21 ILE B 874 4.850 31.056 6.669 1.00 40.11 H new ATOM 0 HG22 ILE B 874 5.285 32.537 6.312 1.00 40.11 H new ATOM 0 HG23 ILE B 874 6.386 31.435 6.596 1.00 40.11 H new ATOM 0 HD11 ILE B 874 6.643 29.147 9.446 1.00 51.24 H new ATOM 0 HD12 ILE B 874 6.314 29.521 7.943 1.00 51.24 H new ATOM 0 HD13 ILE B 874 7.487 30.263 8.706 1.00 51.24 H new ATOM 3004 N GLN B 875 6.962 34.630 6.703 1.00 57.26 N ATOM 3005 CA GLN B 875 6.673 35.668 5.667 1.00 67.30 C ATOM 3006 C GLN B 875 5.161 35.833 5.285 1.00 86.81 C ATOM 3007 O GLN B 875 4.435 34.834 5.128 1.00 91.97 O ATOM 3008 CB GLN B 875 7.481 35.365 4.393 1.00 67.33 C ATOM 3009 CG GLN B 875 7.209 33.984 3.746 1.00 68.11 C ATOM 3010 CD GLN B 875 7.291 33.992 2.198 1.00 72.98 C ATOM 3011 OE1 GLN B 875 8.113 34.704 1.601 1.00 74.97 O ATOM 3012 NE2 GLN B 875 6.446 33.197 1.551 1.00 64.31 N ATOM 0 H GLN B 875 7.695 34.203 6.565 1.00 57.26 H new ATOM 0 HA GLN B 875 6.936 36.509 6.072 1.00 67.30 H new ATOM 0 HB2 GLN B 875 7.293 36.055 3.737 1.00 67.33 H new ATOM 0 HB3 GLN B 875 8.426 35.425 4.605 1.00 67.33 H new ATOM 0 HG2 GLN B 875 7.849 33.342 4.092 1.00 68.11 H new ATOM 0 HG3 GLN B 875 6.328 33.679 4.013 1.00 68.11 H new ATOM 0 HE21 GLN B 875 5.887 32.714 1.991 1.00 64.31 H new ATOM 0 HE22 GLN B 875 6.458 33.165 0.692 1.00 64.31 H new ATOM 3013 N GLU B 876 4.698 37.084 5.133 1.00 96.11 N ATOM 3014 CA GLU B 876 3.274 37.386 4.837 1.00100.19 C ATOM 3015 C GLU B 876 2.963 37.329 3.331 1.00102.46 C ATOM 3016 O GLU B 876 3.455 36.457 2.603 1.00 94.91 O ATOM 3017 CB GLU B 876 2.879 38.763 5.401 1.00 92.35 C ATOM 0 H GLU B 876 5.195 37.783 5.197 1.00 96.11 H new ATOM 0 HA GLU B 876 2.747 36.697 5.272 1.00100.19 H new TER 3018 GLU B 876 HETATM 3019 ZN ZN A 901 19.328 7.804 4.181 1.00 26.21 ZN2+ HETATM 3020 ZN ZN A 902 22.581 -6.417 2.782 1.00 33.09 ZN2+ HETATM 3021 ZN ZN A 903 34.498 -20.037 15.175 0.43 45.22 ZN2+ HETATM 3022 O1 MES A 904 19.071 32.281 23.608 0.59 35.00 O HETATM 3023 C2 MES A 904 18.677 31.849 24.887 0.59 34.31 C HETATM 3024 C3 MES A 904 18.812 30.352 25.028 0.59 33.27 C HETATM 3025 N4 MES A 904 17.998 29.660 24.005 0.59 32.56 N HETATM 3026 C5 MES A 904 18.263 30.104 22.632 0.59 31.08 C HETATM 3027 C6 MES A 904 18.603 31.594 22.444 0.59 33.17 C HETATM 3028 C7 MES A 904 17.917 28.149 24.109 0.59 29.92 C HETATM 3029 C8 MES A 904 18.143 27.510 25.479 0.59 27.34 C HETATM 3030 S MES A 904 17.371 25.976 25.652 0.59 26.81 S HETATM 3031 O1S MES A 904 17.982 25.167 26.751 0.59 25.92 O HETATM 3032 O2S MES A 904 17.375 25.300 24.362 0.59 24.25 O HETATM 3033 O3S MES A 904 16.010 26.335 26.118 0.59 27.15 O HETATM 0 HN4 MES A 904 17.206 29.924 24.210 0.59 32.56 H new HETATM 0 H82 MES A 904 19.096 27.404 25.626 0.59 27.34 H new HETATM 0 H81 MES A 904 17.815 28.110 26.167 0.59 27.34 H new HETATM 0 H72 MES A 904 17.041 27.876 23.795 0.59 29.92 H new HETATM 0 H71 MES A 904 18.568 27.774 23.495 0.59 29.92 H new HETATM 0 H62 MES A 904 17.811 32.050 22.117 0.59 33.17 H new HETATM 0 H61 MES A 904 19.279 31.669 21.752 0.59 33.17 H new HETATM 0 H52 MES A 904 18.998 29.578 22.280 0.59 31.08 H new HETATM 0 H51 MES A 904 17.484 29.900 22.091 0.59 31.08 H new HETATM 0 H32 MES A 904 19.743 30.096 24.936 0.59 33.27 H new HETATM 0 H31 MES A 904 18.529 30.078 25.914 0.59 33.27 H new HETATM 0 H22 MES A 904 19.219 32.289 25.560 0.59 34.31 H new HETATM 0 H21 MES A 904 17.757 32.109 25.049 0.59 34.31 H new HETATM 3034 C1 EDO A 905 31.840 -0.404 31.920 1.00 64.92 C HETATM 3035 O1 EDO A 905 30.461 0.016 31.871 1.00 67.99 O HETATM 3036 C2 EDO A 905 31.997 -1.854 32.353 1.00 61.02 C HETATM 3037 O2 EDO A 905 33.142 -2.496 31.750 1.00 50.87 O HETATM 0 HO2 EDO A 905 33.191 -3.291 32.017 1.00 50.87 H new HETATM 0 HO1 EDO A 905 30.050 -0.439 31.297 1.00 67.99 H new HETATM 0 H22 EDO A 905 32.081 -1.892 33.319 1.00 61.02 H new HETATM 0 H21 EDO A 905 31.195 -2.346 32.119 1.00 61.02 H new HETATM 0 H12 EDO A 905 32.241 -0.286 31.045 1.00 64.92 H new HETATM 0 H11 EDO A 905 32.327 0.168 32.534 1.00 64.92 H new HETATM 3038 ZN ZN B 901 -10.346 25.331 30.953 1.00 21.70 ZN2+ HETATM 3039 ZN ZN B 902 0.912 34.629 32.136 1.00 25.38 ZN2+ HETATM 3040 C1 EDO B 903 12.829 26.388 28.570 1.00 50.62 C HETATM 3041 O1 EDO B 903 11.527 26.314 29.164 1.00 40.21 O HETATM 3042 C2 EDO B 903 12.699 26.359 27.056 1.00 50.56 C HETATM 3043 O2 EDO B 903 11.889 27.458 26.640 1.00 49.31 O HETATM 0 HO2 EDO B 903 11.338 27.646 27.246 1.00 49.31 H new HETATM 0 HO1 EDO B 903 11.206 25.548 29.041 1.00 40.21 H new HETATM 0 H22 EDO B 903 13.575 26.413 26.643 1.00 50.56 H new HETATM 0 H21 EDO B 903 12.301 25.522 26.769 1.00 50.56 H new HETATM 0 H12 EDO B 903 13.277 27.202 28.850 1.00 50.62 H new HETATM 0 H11 EDO B 903 13.375 25.645 28.872 1.00 50.62 H new HETATM 3044 O HOH A1001 16.030 23.140 27.494 1.00126.55 O HETATM 3045 O HOH A1002 44.891 1.307 23.224 1.00 38.45 O HETATM 3046 O HOH A1003 19.532 25.312 33.209 1.00 45.13 O HETATM 3047 O HOH A1004 19.291 -0.114 27.542 1.00 57.83 O HETATM 3048 O HOH A1005 36.540 0.581 30.120 1.00 51.07 O HETATM 3049 O HOH A1006 19.110 5.223 29.039 1.00 43.18 O HETATM 3050 O HOH A1007 34.853 4.939 6.865 1.00 36.99 O HETATM 3051 O HOH A1008 16.798 -1.838 9.641 1.00 50.16 O HETATM 3052 O HOH A1009 10.598 0.144 -0.649 1.00 66.67 O HETATM 3053 O HOH A1010 14.357 4.508 29.375 1.00 58.25 O HETATM 3054 O HOH A1011 39.525 -10.046 24.499 1.00 39.59 O HETATM 3055 O HOH A1012 14.023 4.946 26.660 1.00 51.06 O HETATM 3056 O HOH A1013 33.437 23.579 30.261 1.00 71.72 O HETATM 3057 O HOH A1014 16.150 15.637 34.871 1.00 48.42 O HETATM 3058 O HOH A1015 19.594 15.938 34.056 1.00 44.16 O HETATM 3059 O HOH A1016 19.534 -11.349 2.553 1.00 60.54 O HETATM 3060 O HOH A1017 29.945 -8.263 33.993 1.00 99.51 O HETATM 3061 O HOH A1018 25.999 18.726 35.944 1.00 53.85 O HETATM 3062 O HOH A1019 35.571 -1.886 31.669 1.00 42.00 O HETATM 3063 O HOH A1020 29.303 14.829 30.975 1.00 30.42 O HETATM 3064 O HOH A1021 46.199 -7.189 17.788 1.00 50.48 O HETATM 3065 O HOH A1022 17.395 -12.695 28.400 1.00 43.45 O HETATM 3066 O HOH A1023 32.451 21.826 20.222 1.00 27.25 O HETATM 3067 O HOH A1024 15.439 3.041 16.848 1.00 27.95 O HETATM 3068 O HOH A1025 30.318 -5.713 -1.038 1.00 69.81 O HETATM 3069 O HOH A1026 15.220 -4.592 -6.512 1.00 67.26 O HETATM 3070 O HOH A1027 30.037 -17.214 27.415 1.00 59.10 O HETATM 3071 O BHOH A1028 19.180 12.719 29.894 0.64 25.85 O HETATM 3072 O HOH A1029 34.829 -1.462 7.972 1.00 26.13 O HETATM 3073 O HOH A1030 28.780 -15.955 29.721 1.00 44.24 O HETATM 3074 O HOH A1031 30.919 21.172 13.352 1.00 31.70 O HETATM 3075 O HOH A1032 23.063 -8.883 26.874 1.00 51.65 O HETATM 3076 O HOH A1033 14.567 10.782 8.264 1.00 41.09 O HETATM 3077 O HOH A1034 37.375 11.324 22.702 1.00 43.49 O HETATM 3078 O HOH A1035 25.565 22.220 14.530 1.00 32.21 O HETATM 3079 O HOH A1036 19.025 11.169 -2.566 1.00 38.42 O HETATM 3080 O HOH A1037 24.526 17.865 24.986 1.00 22.40 O HETATM 3081 O HOH A1038 34.025 -13.988 20.969 1.00 65.83 O HETATM 3082 O HOH A1039 14.637 4.371 23.453 1.00 29.95 O HETATM 3083 O HOH A1040 20.553 34.321 24.316 1.00 77.98 O HETATM 3084 O HOH A1041 19.759 24.265 24.027 1.00 43.64 O HETATM 3085 O HOH A1042 17.122 27.332 32.437 1.00 61.81 O HETATM 3086 O HOH A1043 35.098 17.982 21.916 1.00 35.05 O HETATM 3087 O HOH A1044 22.849 -8.204 10.402 1.00 39.15 O HETATM 3088 O HOH A1045 7.072 17.255 26.410 1.00 46.61 O HETATM 3089 O HOH A1046 22.433 17.591 15.931 1.00 30.52 O HETATM 3090 O HOH A1047 35.498 10.134 25.666 1.00 26.09 O HETATM 3091 O HOH A1048 24.246 -13.446 22.222 1.00 26.48 O HETATM 3092 O HOH A1049 18.910 26.414 17.924 1.00 73.36 O HETATM 3093 O HOH A1050 35.021 3.354 -2.810 1.00 73.43 O HETATM 3094 O HOH A1051 20.157 19.036 19.823 1.00 32.07 O HETATM 3095 O HOH A1052 14.431 1.119 7.943 1.00 50.58 O HETATM 3096 O HOH A1053 14.217 -0.045 27.803 1.00 54.41 O HETATM 3097 O HOH A1054 28.761 11.029 -4.558 1.00 65.24 O HETATM 3098 O HOH A1055 17.955 -8.237 27.849 1.00 45.98 O HETATM 3099 O HOH A1056 13.119 6.338 14.069 1.00 31.17 O HETATM 3100 O HOH A1057 21.492 26.281 37.910 1.00 54.52 O HETATM 3101 O HOH A1058 23.316 -14.150 33.814 1.00 31.39 O HETATM 3102 O HOH A1059 30.993 6.809 -0.759 1.00 43.30 O HETATM 3103 O HOH A1060 30.444 -21.112 23.445 1.00 25.24 O HETATM 3104 O HOH A1061 48.145 -0.631 24.477 1.00 48.40 O HETATM 3105 O HOH A1062 32.063 8.336 28.489 1.00 21.85 O HETATM 3106 O HOH A1063 31.191 -11.712 19.435 1.00 46.49 O HETATM 3107 O BHOH A1064 21.104 11.234 28.595 0.62 22.96 O HETATM 3108 O HOH A1065 31.660 25.004 29.892 1.00 45.48 O HETATM 3109 O HOH A1066 37.041 13.124 14.737 1.00 49.01 O HETATM 3110 O HOH A1067 21.960 -4.232 -5.887 1.00 58.26 O HETATM 3111 O HOH A1068 40.178 -7.332 18.701 1.00 33.09 O HETATM 3112 O HOH A1069 19.525 -7.917 -3.254 1.00 55.66 O HETATM 3113 O HOH A1070 10.782 6.332 25.582 1.00 50.86 O HETATM 3114 O HOH A1071 23.136 -13.111 18.129 1.00 58.75 O HETATM 3115 O HOH A1072 31.633 -9.940 21.294 1.00 30.06 O HETATM 3116 O HOH A1073 37.680 8.382 25.816 1.00 39.08 O HETATM 3117 O HOH A1074 24.911 27.629 29.009 1.00 25.77 O HETATM 3118 O HOH A1075 32.771 6.260 5.211 1.00 40.91 O HETATM 3119 O BHOH A1076 21.009 8.391 29.594 0.92 56.42 O HETATM 3120 O HOH A1077 26.564 -3.882 28.637 1.00 23.40 O HETATM 3121 O HOH A1078 25.833 7.867 29.039 1.00 38.23 O HETATM 3122 O HOH A1079 42.137 1.696 14.710 1.00 45.01 O HETATM 3123 O HOH A1080 40.374 -0.107 10.171 1.00 32.20 O HETATM 3124 O HOH A1081 16.896 7.982 11.309 1.00 28.03 O HETATM 3125 O HOH A1082 29.863 -11.952 15.826 1.00 38.16 O HETATM 3126 O HOH A1083 35.881 11.617 18.734 1.00 35.06 O HETATM 3127 O HOH A1084 36.558 -3.427 9.187 1.00 28.81 O HETATM 3128 O HOH A1085 28.986 7.176 6.439 1.00 28.49 O HETATM 3129 O HOH A1086 16.241 -0.273 2.766 1.00 33.37 O HETATM 3130 O HOH A1087 36.608 11.300 8.142 1.00 69.32 O HETATM 3131 O HOH A1088 23.081 8.764 -2.092 1.00 34.57 O HETATM 3132 O HOH A1089 25.685 15.703 23.714 1.00 17.36 O HETATM 3133 O HOH A1090 12.993 5.297 19.839 1.00 47.06 O HETATM 3134 O HOH A1091 15.728 12.532 12.211 1.00 34.23 O HETATM 3135 O HOH A1092 24.407 17.467 19.134 1.00 19.39 O HETATM 3136 O HOH A1093 11.532 20.742 26.316 1.00 28.27 O HETATM 3137 O HOH A1094 31.968 -4.217 33.559 1.00 48.53 O HETATM 3138 O HOH A1095 9.497 7.920 3.144 1.00 56.84 O HETATM 3139 O HOH A1096 23.541 -10.147 24.182 1.00 64.21 O HETATM 3140 O HOH A1097 26.317 20.696 31.913 1.00 31.87 O HETATM 3141 O HOH A1098 28.710 0.034 -4.921 1.00 51.21 O HETATM 3142 O HOH A1099 26.913 -9.424 31.498 1.00 38.82 O HETATM 3143 O HOH A1100 28.170 17.095 23.851 1.00 20.03 O HETATM 3144 O HOH A1101 24.114 -11.464 20.279 1.00 37.77 O HETATM 3145 O HOH A1102 14.823 1.598 23.403 1.00 42.44 O HETATM 3146 O HOH A1103 15.474 25.809 22.407 1.00 24.08 O HETATM 3147 O HOH A1104 19.187 -5.771 12.456 1.00 56.03 O HETATM 3148 O HOH A1105 31.265 12.670 9.652 1.00 42.49 O HETATM 3149 O HOH A1106 34.604 -13.756 9.559 1.00 49.11 O HETATM 3150 O HOH A1107 20.658 -9.206 8.535 1.00 54.45 O HETATM 3151 O HOH A1108 17.676 -0.429 17.248 1.00 27.50 O HETATM 3152 O HOH A1109 27.997 27.082 28.238 1.00 35.99 O HETATM 3153 O HOH A1110 24.544 7.231 9.050 1.00 26.80 O HETATM 3154 O HOH A1111 27.437 -1.183 31.508 1.00 49.15 O HETATM 3155 O HOH A1112 23.631 -7.910 29.888 1.00 41.92 O HETATM 3156 O HOH A1113 20.040 -6.966 26.212 1.00 35.90 O HETATM 3157 O HOH A1114 27.874 -11.277 1.405 1.00 52.01 O HETATM 3158 O HOH A1115 27.015 -8.907 15.915 1.00 40.39 O HETATM 3159 O HOH A1116 30.532 21.934 32.697 1.00 45.13 O HETATM 3160 O HOH A1117 21.464 -5.004 16.661 1.00 27.95 O HETATM 3161 O HOH A1118 31.766 -10.201 6.943 1.00 42.26 O HETATM 3162 O HOH A1119 37.636 8.006 23.120 1.00 30.08 O HETATM 3163 O HOH A1120 39.234 -8.677 12.823 1.00 32.56 O HETATM 3164 O HOH A1121 20.038 11.570 12.264 1.00 29.56 O HETATM 3165 O HOH A1122 24.966 9.338 -3.742 1.00 43.71 O HETATM 3166 O HOH A1123 24.596 -2.057 28.102 1.00 27.32 O HETATM 3167 O HOH A1124 28.970 -10.636 3.775 1.00 43.72 O HETATM 3168 O HOH A1125 29.730 -2.846 3.299 1.00 32.53 O HETATM 3169 O HOH A1126 40.577 -0.005 12.874 1.00 28.10 O HETATM 3170 O HOH A1127 20.631 -0.461 29.435 1.00 44.99 O HETATM 3171 O HOH A1128 37.571 -2.900 30.421 1.00 40.81 O HETATM 3172 O HOH A1129 32.061 16.617 29.056 1.00 23.52 O HETATM 3173 O HOH A1130 35.544 -20.284 19.564 1.00 50.14 O HETATM 3174 O HOH A1131 34.253 4.182 9.183 1.00 24.95 O HETATM 3175 O HOH A1132 35.913 18.067 15.786 1.00 64.29 O HETATM 3176 O HOH A1133 33.519 -8.772 34.327 1.00 66.02 O HETATM 3177 O HOH A1134 16.742 4.143 30.495 1.00 54.86 O HETATM 3178 O HOH A1135 9.208 9.614 22.444 1.00 31.47 O HETATM 3179 O HOH A1136 22.371 17.970 23.736 1.00 25.99 O HETATM 3180 O HOH A1137 20.035 -6.407 23.442 1.00 28.16 O HETATM 3181 O HOH A1138 23.696 18.703 35.875 1.00 52.12 O HETATM 3182 O HOH A1139 17.709 1.681 15.788 1.00 21.63 O HETATM 3183 O HOH A1140 26.912 -21.214 10.797 1.00 45.51 O HETATM 3184 O HOH A1141 39.951 -7.835 25.683 1.00 34.94 O HETATM 3185 O HOH A1142 20.785 3.021 28.740 1.00 48.09 O HETATM 3186 O HOH A1143 21.297 -8.387 30.041 1.00 48.54 O HETATM 3187 O HOH A1144 21.919 26.070 24.221 1.00 30.67 O HETATM 3188 O HOH A1145 42.480 -7.182 21.461 1.00 33.48 O HETATM 3189 O HOH A1146 15.633 3.444 10.265 1.00 28.68 O HETATM 3190 O HOH A1147 12.279 7.571 16.998 1.00 44.89 O HETATM 3191 O HOH A1148 30.100 22.343 21.571 1.00 25.09 O HETATM 3192 O HOH A1149 22.136 6.111 32.501 1.00 54.68 O HETATM 3193 O HOH A1150 17.427 -1.830 27.709 1.00 48.08 O HETATM 3194 O HOH A1151 18.044 30.239 28.747 1.00 35.95 O HETATM 3195 O HOH A1152 28.556 17.668 11.603 1.00 27.72 O HETATM 3196 O HOH A1153 34.184 -12.123 27.612 1.00 29.41 O HETATM 3197 O HOH A1154 32.473 6.045 10.111 1.00 22.34 O HETATM 3198 O HOH A1155 19.765 30.965 27.668 1.00106.07 O HETATM 3199 O HOH A1156 34.777 21.915 16.703 1.00 50.48 O HETATM 3200 O HOH A1157 44.122 3.215 15.384 1.00 46.80 O HETATM 3201 O HOH A1158 27.649 -15.070 4.052 1.00 56.52 O HETATM 3202 O HOH A1159 20.205 -6.196 -5.388 1.00 61.39 O HETATM 3203 O HOH A1160 29.112 -7.619 31.298 1.00 27.14 O HETATM 3204 O HOH A1161 25.554 23.172 34.342 1.00 43.32 O HETATM 3205 O HOH A1162 24.258 -8.609 15.497 1.00 43.12 O HETATM 3206 O HOH A1163 25.469 15.714 20.940 1.00 18.80 O HETATM 3207 O HOH A1164 27.047 18.809 30.172 1.00 21.99 O HETATM 3208 O HOH A1165 24.080 10.390 1.253 1.00 33.36 O HETATM 3209 O HOH A1166 22.505 0.226 -6.420 1.00 49.12 O HETATM 3210 O HOH A1167 36.665 8.288 28.703 1.00 69.05 O HETATM 3211 O HOH A1168 13.484 5.805 11.955 1.00 45.37 O HETATM 3212 O HOH A1169 25.654 2.706 30.240 1.00 45.09 O HETATM 3213 O HOH A1170 19.198 27.086 20.754 1.00 56.66 O HETATM 3214 O HOH A1171 30.489 23.423 26.113 1.00 33.87 O HETATM 3215 O HOH A1172 12.765 -2.657 27.302 1.00 47.87 O HETATM 3216 O HOH A1173 32.068 -16.027 24.975 1.00 48.21 O HETATM 3217 O HOH A1174 31.282 17.093 12.671 1.00 28.37 O HETATM 3218 O HOH A1175 15.300 -4.810 27.506 1.00 46.38 O HETATM 3219 O HOH A1176 38.931 3.393 14.795 1.00 27.53 O HETATM 3220 O HOH A1177 25.268 -12.503 5.129 1.00 46.09 O HETATM 3221 O HOH A1178 35.174 0.954 -4.214 1.00 67.17 O HETATM 3222 O HOH A1179 28.456 19.937 12.976 1.00 26.25 O HETATM 3223 O HOH A1180 39.944 4.949 25.903 1.00 42.49 O HETATM 3224 O HOH A1181 33.790 -14.931 12.169 1.00 47.17 O HETATM 3225 O HOH A1182 21.176 17.140 12.941 1.00 44.76 O HETATM 3226 O HOH A1183 40.780 4.154 21.546 1.00 28.69 O HETATM 3227 O HOH A1184 15.876 28.290 28.343 1.00 31.62 O HETATM 3228 O HOH A1185 21.039 19.860 22.138 1.00 35.72 O HETATM 3229 O HOH A1186 32.262 3.317 28.862 1.00 26.02 O HETATM 3230 O HOH A1187 32.704 -16.756 22.623 1.00 45.61 O HETATM 3231 O HOH A1188 32.123 -6.591 32.690 1.00 33.76 O HETATM 3232 O HOH A1189 21.586 -13.784 14.809 1.00 56.41 O HETATM 3233 O HOH A1190 26.234 11.570 9.099 1.00 43.61 O HETATM 3234 O HOH A1191 44.278 5.455 21.160 1.00 38.23 O HETATM 3235 O HOH A1192 38.995 -9.666 15.357 1.00 42.92 O HETATM 3236 O HOH A1193 25.443 -18.306 13.449 1.00 64.37 O HETATM 3237 O HOH A1194 45.262 -6.307 23.979 1.00 54.66 O HETATM 3238 O HOH A1195 33.255 -12.356 7.358 1.00 56.67 O HETATM 3239 O HOH A1196 24.397 9.213 30.499 1.00 44.56 O HETATM 3240 O HOH A1197 20.025 9.374 10.261 1.00 27.80 O HETATM 3241 O HOH A1198 39.750 4.995 29.723 1.00 49.56 O HETATM 3242 O HOH A1199 21.584 -13.171 36.187 1.00 53.23 O HETATM 3243 O HOH A1200 18.139 -3.637 16.480 1.00 49.35 O HETATM 3244 O HOH A1201 26.542 5.304 30.687 1.00 46.45 O HETATM 3245 O HOH A1202 35.906 19.061 18.470 1.00 61.56 O HETATM 3246 O HOH A1203 30.597 -14.031 30.029 1.00 44.12 O HETATM 3247 O HOH A1204 24.076 15.756 10.236 1.00 36.22 O HETATM 3248 O HOH A1205 27.573 -11.239 33.270 1.00 49.78 O HETATM 3249 O HOH A1206 33.313 15.424 12.169 1.00 45.98 O HETATM 3250 O HOH A1207 37.883 -8.333 31.661 1.00 50.17 O HETATM 3251 O HOH A1208 31.559 18.041 31.401 1.00 30.52 O HETATM 3252 O HOH A1209 25.509 29.672 33.446 1.00 44.61 O HETATM 3253 O HOH A1210 42.992 1.583 27.689 1.00 57.15 O HETATM 3254 O HOH A1211 17.716 -2.749 -7.445 1.00 59.83 O HETATM 3255 O HOH A1212 20.926 28.423 23.065 1.00 36.37 O HETATM 3256 O HOH A1213 36.764 -12.731 22.851 1.00 50.15 O HETATM 3257 O HOH A1214 28.782 -10.338 14.008 1.00 39.77 O HETATM 3258 O HOH A1215 25.084 -0.996 -5.078 1.00 56.20 O HETATM 3259 O HOH A1216 16.587 22.579 35.410 1.00 54.16 O HETATM 3260 O HOH A1217 21.490 -9.426 23.938 1.00 73.89 O HETATM 3261 O HOH A1218 22.692 22.522 20.620 1.00 35.38 O HETATM 3262 O HOH A1219 22.298 20.264 16.585 1.00 50.15 O HETATM 3263 O HOH A1220 29.370 -0.402 -7.951 1.00 68.48 O HETATM 3264 O HOH A1221 23.354 -10.205 12.313 1.00 53.57 O HETATM 3265 O HOH A1222 20.189 -8.724 22.198 1.00 40.48 O HETATM 3266 O HOH A1223 5.793 19.326 30.364 1.00 48.34 O HETATM 3267 O HOH A1224 18.029 -1.084 11.582 1.00 41.30 O HETATM 3268 O HOH A1225 10.579 21.303 30.486 1.00 42.41 O HETATM 3269 O HOH A1226 28.436 17.690 34.762 1.00 52.06 O HETATM 3270 O HOH A1227 34.673 2.488 29.868 1.00 47.07 O HETATM 3271 O HOH A1228 17.902 28.371 27.891 1.00112.38 O HETATM 3272 O HOH A1229 15.365 27.390 30.638 1.00 42.37 O HETATM 3273 O HOH A1230 40.679 3.177 23.716 1.00 46.14 O HETATM 3274 O HOH A1231 31.341 -5.276 0.914 1.00 56.26 O HETATM 3275 O HOH A1232 30.828 -3.209 -12.851 1.00 48.64 O HETATM 3276 O HOH A1233 23.071 -11.806 3.480 1.00 58.80 O HETATM 3277 O HOH A1234 34.344 23.171 26.121 1.00 51.41 O HETATM 3278 O HOH A1235 33.924 4.906 2.910 1.00 44.16 O HETATM 3279 O HOH A1236 18.296 24.968 35.609 1.00 55.47 O HETATM 3280 O HOH A1237 21.444 -9.525 5.900 1.00 45.05 O HETATM 3281 O HOH A1238 31.546 13.891 31.888 1.00 37.22 O HETATM 3282 O HOH A1239 30.228 10.028 34.284 1.00 53.45 O HETATM 3283 O HOH A1240 18.305 13.971 34.505 1.00 46.96 O HETATM 3284 O HOH A1241 33.339 9.061 4.467 1.00 52.13 O HETATM 3285 O HOH A1242 21.104 31.038 19.660 1.00 46.33 O HETATM 3286 O HOH A1243 14.699 1.970 12.473 1.00 46.30 O HETATM 3287 O HOH A1244 31.361 11.137 31.784 1.00 37.22 O HETATM 3288 O HOH A1245 24.273 -12.355 -4.330 1.00 72.48 O HETATM 3289 O HOH A1246 34.434 5.922 31.256 1.00 47.75 O HETATM 3290 O HOH A1247 33.650 1.635 31.523 1.00 67.58 O HETATM 3291 O HOH A1248 28.958 13.481 8.815 1.00 54.34 O HETATM 3292 O HOH A1249 33.825 -14.553 26.591 1.00 46.41 O HETATM 3293 O HOH A1250 13.641 3.416 14.569 1.00 37.09 O HETATM 3294 O HOH A1251 27.462 -5.367 31.317 1.00 47.83 O HETATM 3295 O HOH A1252 30.046 9.738 29.933 1.00 25.53 O HETATM 3296 O HOH A1253 22.758 10.853 3.597 1.00 38.66 O HETATM 3297 O HOH A1254 40.027 10.267 26.008 1.00 48.91 O HETATM 3298 O HOH A1255 33.855 -12.604 18.862 1.00 56.86 O HETATM 3299 O HOH A1256 34.312 9.849 28.339 1.00 35.34 O HETATM 3300 O HOH A1257 24.201 5.696 32.102 1.00 63.92 O HETATM 3301 O HOH A1258 34.916 20.416 14.902 1.00 44.36 O HETATM 3302 O HOH A1259 36.925 15.628 21.531 1.00 53.62 O HETATM 3303 O HOH A1260 24.301 -0.745 30.576 1.00 56.18 O HETATM 3304 O HOH A1261 22.090 30.544 21.948 1.00 41.92 O HETATM 3305 O HOH A1262 17.617 -10.973 -0.499 1.00 55.46 O HETATM 3306 O HOH A1263 37.637 13.289 20.131 1.00 52.22 O HETATM 3307 O HOH A1264 18.346 11.533 4.223 1.00 61.80 O HETATM 3308 O HOH A1265 32.944 9.474 7.183 1.00 44.82 O HETATM 3309 O HOH A1266 22.852 2.869 30.776 1.00 55.96 O HETATM 3310 O HOH A1267 31.478 6.852 7.583 1.00 27.62 O HETATM 3311 O HOH A1268 43.553 -8.405 19.247 1.00 52.94 O HETATM 3312 O HOH A1269 28.163 7.938 30.998 1.00 37.96 O HETATM 3313 O HOH A1270 30.809 25.883 27.118 1.00 44.02 O HETATM 3314 O HOH A1271 28.880 17.731 31.753 1.00 30.93 O HETATM 3315 O HOH A1272 18.530 -6.764 30.276 1.00 53.93 O HETATM 3316 O HOH A1273 20.976 -12.986 4.219 1.00 78.98 O HETATM 3317 O HOH A1274 44.485 5.490 23.595 1.00 55.89 O HETATM 3318 O HOH A1275 37.894 12.533 29.006 1.00 71.10 O HETATM 3319 O HOH A1276 37.279 -0.994 -12.191 1.00 40.46 O HETATM 3320 O HOH A1277 23.822 12.074 5.409 1.00 49.84 O HETATM 3321 O HOH A1278 32.137 -18.153 25.819 1.00 60.13 O HETATM 3322 O HOH A1279 32.805 -19.826 23.228 1.00 47.73 O HETATM 3323 O HOH A1280 34.470 20.318 20.491 1.00 36.41 O HETATM 3324 O HOH A1281 35.702 22.120 23.625 1.00 53.14 O HETATM 3325 O HOH A1282 33.080 -14.858 29.789 1.00 51.76 O HETATM 3326 O HOH A1283 13.087 6.005 21.821 1.00 52.26 O HETATM 3327 O HOH A1284 22.448 23.010 18.083 1.00 68.14 O HETATM 3328 O HOH A1285 24.868 20.626 10.350 1.00 59.05 O HETATM 3329 O HOH A1286 22.544 -8.317 13.242 1.00 54.13 O HETATM 3330 O HOH A1287 31.293 14.550 34.486 1.00 67.08 O HETATM 3331 O HOH A1288 20.651 -2.567 -7.646 1.00 53.35 O HETATM 3332 O HOH A1289 12.965 8.867 31.142 1.00 53.04 O HETATM 3333 O HOH A1290 10.287 13.301 31.120 1.00 55.74 O HETATM 3334 O HOH A1291 16.184 10.218 10.578 1.00 41.25 O HETATM 3335 O HOH A1292 37.078 18.833 23.485 1.00 46.67 O HETATM 3336 O HOH A1293 35.483 15.825 13.504 1.00 56.16 O HETATM 3337 O HOH A1294 14.301 35.739 30.897 1.00 65.03 O HETATM 3338 O HOH A1295 34.100 23.742 21.479 1.00 48.87 O HETATM 3339 O HOH A1296 13.784 1.024 17.982 1.00 54.84 O HETATM 3340 O HOH A1297 33.919 14.923 29.995 1.00 27.76 O HETATM 3341 O HOH A1298 24.556 11.166 -5.521 1.00 58.74 O HETATM 3342 O HOH A1299 14.769 0.073 30.516 1.00 64.83 O HETATM 3343 O HOH A1300 23.363 11.195 8.465 1.00 42.07 O HETATM 3344 O HOH A1301 40.907 -8.036 28.349 1.00 55.31 O HETATM 3345 O HOH A1302 22.141 8.950 8.496 1.00 30.77 O HETATM 3346 O HOH A1303 16.551 0.329 13.505 1.00 36.29 O HETATM 3347 O HOH A1304 40.230 6.891 22.212 1.00 39.62 O HETATM 3348 O HOH A1305 22.348 13.017 10.482 1.00 42.54 O HETATM 3349 O HOH A1306 25.365 -5.510 30.392 1.00 39.68 O HETATM 3350 O HOH A1307 35.904 -12.231 29.892 1.00 41.94 O HETATM 3351 O HOH A1308 31.863 5.934 29.926 1.00 27.71 O HETATM 3352 O HOH A1309 33.196 17.716 33.520 1.00 49.70 O HETATM 3353 O HOH A1310 30.006 5.705 31.418 1.00 39.04 O HETATM 3354 O HOH A1311 34.944 12.337 29.404 1.00 34.78 O HETATM 3355 O HOH A1312 19.814 -15.290 2.579 1.00 76.45 O HETATM 3356 O HOH A1313 9.582 11.522 33.455 1.00 66.02 O HETATM 3357 O HOH A1314 14.544 7.430 32.992 1.00 56.10 O HETATM 3358 O HOH B1001 11.513 29.070 26.444 1.00 84.17 O HETATM 3359 O HOH B1002 -12.977 14.026 10.674 1.00 32.42 O HETATM 3360 O HOH B1003 -5.855 18.228 2.610 1.00 65.26 O HETATM 3361 O HOH B1004 -15.743 5.629 13.202 1.00 62.28 O HETATM 3362 O HOH B1005 -13.662 20.967 5.238 1.00 64.74 O HETATM 3363 O HOH B1006 -9.189 6.101 15.336 1.00 57.27 O HETATM 3364 O HOH B1007 -2.973 17.730 30.235 1.00 49.66 O HETATM 3365 O HOH B1008 -6.480 34.544 25.029 1.00 41.70 O HETATM 3366 O HOH B1009 16.535 26.533 10.628 1.00 56.29 O HETATM 3367 O HOH B1010 -12.559 33.424 25.450 1.00 91.31 O HETATM 3368 O HOH B1011 -4.205 7.473 13.889 1.00 48.88 O HETATM 3369 O HOH B1012 -14.280 15.901 23.287 1.00 64.16 O HETATM 3370 O HOH B1013 3.454 13.137 9.366 1.00 41.18 O HETATM 3371 O HOH B1014 1.703 9.309 21.979 1.00 54.71 O HETATM 3372 O HOH B1015 19.514 20.016 17.144 1.00 47.69 O HETATM 3373 O HOH B1016 3.770 17.953 28.413 1.00 33.40 O HETATM 3374 O HOH B1017 13.974 29.667 26.712 1.00 33.27 O HETATM 3375 O HOH B1018 -13.128 29.081 39.964 1.00 59.99 O HETATM 3376 O HOH B1019 14.473 37.299 20.796 1.00 54.47 O HETATM 3377 O HOH B1020 -13.546 30.593 38.587 1.00 41.39 O HETATM 3378 O HOH B1021 -10.399 11.004 1.020 1.00 64.48 O HETATM 3379 O HOH B1022 -8.293 40.535 38.601 1.00 72.87 O HETATM 3380 O HOH B1023 -6.419 27.858 6.272 1.00 58.41 O HETATM 3381 O HOH B1024 1.805 26.642 3.384 1.00 48.91 O HETATM 3382 O HOH B1025 -9.953 7.755 21.638 1.00 47.37 O HETATM 3383 O HOH B1026 -0.175 18.945 35.862 1.00 33.75 O HETATM 3384 O HOH B1027 -10.293 31.569 18.210 1.00 31.81 O HETATM 3385 O HOH B1028 -19.680 21.878 1.969 1.00 73.37 O HETATM 3386 O HOH B1029 -21.340 13.273 11.945 1.00 46.59 O HETATM 3387 O HOH B1030 13.445 38.388 27.108 1.00 37.27 O HETATM 3388 O HOH B1031 -19.353 30.165 12.601 1.00 37.57 O HETATM 3389 O HOH B1032 -15.889 25.846 26.747 1.00 39.99 O HETATM 3390 O HOH B1033 0.913 11.544 27.614 1.00 36.26 O HETATM 3391 O HOH B1034 -0.132 11.834 16.817 1.00 42.49 O HETATM 3392 O HOH B1035 -12.046 22.211 22.808 1.00 32.36 O HETATM 3393 O HOH B1036 -15.564 29.791 17.991 1.00 44.68 O HETATM 3394 O HOH B1037 13.342 31.256 7.221 1.00 55.03 O HETATM 3395 O HOH B1038 3.664 20.131 32.857 1.00 44.56 O HETATM 3396 O HOH B1039 -13.889 31.068 15.352 1.00 44.97 O HETATM 3397 O HOH B1040 3.495 18.927 25.924 1.00 25.29 O HETATM 3398 O HOH B1041 8.495 39.411 29.133 1.00 79.92 O HETATM 3399 O HOH B1042 3.207 24.748 32.783 1.00 30.00 O HETATM 3400 O HOH B1043 10.338 38.223 30.999 1.00 46.29 O HETATM 3401 O HOH B1044 7.527 22.702 27.145 1.00 24.41 O HETATM 3402 O HOH B1045 0.669 12.967 9.736 1.00 28.62 O HETATM 3403 O HOH B1046 10.443 31.868 28.409 1.00 29.49 O HETATM 3404 O HOH B1047 -1.543 34.767 21.168 1.00 49.80 O HETATM 3405 O HOH B1048 15.473 29.650 19.730 1.00 53.58 O HETATM 3406 O HOH B1049 -9.938 32.834 11.574 1.00 50.62 O HETATM 3407 O HOH B1050 -16.874 16.068 15.712 1.00 36.43 O HETATM 3408 O HOH B1051 -16.000 32.049 9.313 1.00 56.75 O HETATM 3409 O HOH B1052 -5.586 20.310 5.953 1.00 41.21 O HETATM 3410 O HOH B1053 -21.681 14.649 3.138 1.00 61.63 O HETATM 3411 O HOH B1054 -8.680 42.496 41.041 0.50 99.47 O HETATM 3412 O HOH B1055 -16.459 24.627 35.316 1.00 48.59 O HETATM 3413 O HOH B1056 11.346 23.731 28.380 1.00 34.42 O HETATM 3414 O HOH B1057 10.545 11.649 13.986 1.00 45.13 O HETATM 3415 O HOH B1058 15.380 24.630 9.359 1.00 37.10 O HETATM 3416 O HOH B1059 14.947 33.847 27.051 1.00 39.70 O HETATM 3417 O HOH B1060 3.653 13.616 11.993 1.00 39.40 O HETATM 3418 O HOH B1061 -12.390 27.097 23.803 1.00 40.83 O HETATM 3419 O HOH B1062 7.950 19.677 5.212 1.00 58.24 O HETATM 3420 O HOH B1063 -12.849 14.824 16.138 1.00 25.83 O HETATM 3421 O HOH B1064 -11.741 30.965 11.356 1.00 35.36 O HETATM 3422 O HOH B1065 -0.921 16.491 6.784 1.00 26.03 O HETATM 3423 O HOH B1066 11.054 18.054 22.181 1.00 25.98 O HETATM 3424 O HOH B1067 -14.670 10.076 20.790 1.00 45.42 O HETATM 3425 O HOH B1068 -0.358 34.020 17.841 1.00 44.15 O HETATM 3426 O HOH B1069 -7.761 31.097 19.214 1.00 24.31 O HETATM 3427 O HOH B1070 -14.370 15.883 19.319 1.00 33.04 O HETATM 3428 O HOH B1071 15.212 24.110 16.337 1.00 42.07 O HETATM 3429 O HOH B1072 -1.931 11.752 27.326 1.00 52.49 O HETATM 3430 O HOH B1073 7.461 23.689 29.435 1.00 42.88 O HETATM 3431 O HOH B1074 -8.140 8.376 4.214 1.00 65.89 O HETATM 3432 O HOH B1075 13.051 30.183 19.264 1.00 49.30 O HETATM 3433 O HOH B1076 -0.175 10.087 20.900 1.00 39.48 O HETATM 3434 O HOH B1077 13.898 25.812 3.035 1.00 60.24 O HETATM 3435 O HOH B1078 -2.444 19.883 28.691 1.00 23.60 O HETATM 3436 O HOH B1079 2.732 29.251 6.361 1.00 31.48 O HETATM 3437 O HOH B1080 8.666 34.016 31.188 1.00 51.70 O HETATM 3438 O HOH B1081 7.060 14.585 9.458 1.00 45.16 O HETATM 3439 O HOH B1082 6.327 24.123 3.533 1.00 54.02 O HETATM 3440 O HOH B1083 -7.813 22.432 37.052 1.00 25.92 O HETATM 3441 O HOH B1084 7.923 14.963 5.232 1.00 56.03 O HETATM 3442 O HOH B1085 -10.690 14.829 11.581 1.00 28.45 O HETATM 3443 O HOH B1086 -26.869 17.762 7.044 1.00 38.41 O HETATM 3444 O HOH B1087 -23.234 14.998 6.853 1.00 50.51 O HETATM 3445 O HOH B1088 -13.646 30.292 23.231 1.00 55.10 O HETATM 3446 O HOH B1089 -11.257 33.697 29.214 1.00 55.58 O HETATM 3447 O HOH B1090 -5.589 35.140 19.047 1.00 50.04 O HETATM 3448 O HOH B1091 -10.475 35.675 30.910 1.00 48.45 O HETATM 3449 O HOH B1092 -1.002 37.638 38.987 1.00 61.27 O HETATM 3450 O HOH B1093 2.238 11.289 13.768 1.00 43.24 O HETATM 3451 O HOH B1094 -4.802 14.351 25.307 1.00 31.69 O HETATM 3452 O HOH B1095 -9.652 23.165 5.808 1.00 49.96 O HETATM 3453 O HOH B1096 4.608 39.373 38.947 1.00 65.06 O HETATM 3454 O HOH B1097 -14.696 15.909 12.181 1.00 34.02 O HETATM 3455 O HOH B1098 -4.229 10.676 23.235 1.00 39.25 O HETATM 3456 O HOH B1099 11.094 18.289 25.105 1.00 27.75 O HETATM 3457 O HOH B1100 -14.153 30.788 20.454 1.00 34.61 O HETATM 3458 O HOH B1101 10.095 21.726 4.616 1.00 48.17 O HETATM 3459 O HOH B1102 -0.005 29.136 6.736 1.00 35.25 O HETATM 3460 O HOH B1103 2.424 37.987 41.105 1.00 55.84 O HETATM 3461 O HOH B1104 -7.869 36.894 30.510 1.00 51.91 O HETATM 3462 O HOH B1105 8.355 28.020 2.446 1.00 41.58 O HETATM 3463 O HOH B1106 2.403 20.188 6.262 1.00 32.85 O HETATM 3464 O HOH B1107 -10.623 15.122 14.316 1.00 24.58 O HETATM 3465 O HOH B1108 -10.287 1.852 9.405 1.00 69.86 O HETATM 3466 O HOH B1109 3.014 36.403 21.911 1.00 60.70 O HETATM 3467 O HOH B1110 17.645 40.012 26.385 1.00 30.10 O HETATM 3468 O HOH B1111 10.709 15.498 5.420 1.00 62.14 O HETATM 3469 O HOH B1112 9.940 23.033 26.062 1.00 23.19 O HETATM 3470 O HOH B1113 -9.410 12.225 11.550 1.00 24.67 O HETATM 3471 O HOH B1114 -5.993 22.363 26.113 1.00 26.68 O HETATM 3472 O HOH B1115 -6.435 32.845 17.548 1.00 26.61 O HETATM 3473 O HOH B1116 1.052 18.421 25.141 1.00 22.20 O HETATM 3474 O HOH B1117 -6.977 20.354 38.738 1.00 33.25 O HETATM 3475 O HOH B1118 -7.931 33.736 32.097 1.00 26.21 O HETATM 3476 O HOH B1119 8.179 9.343 17.732 1.00 59.95 O HETATM 3477 O HOH B1120 1.536 41.224 32.525 1.00 59.91 O HETATM 3478 O HOH B1121 0.018 36.067 8.244 1.00 58.82 O HETATM 3479 O HOH B1122 -16.374 24.319 22.974 1.00 34.27 O HETATM 3480 O HOH B1123 -2.101 24.997 4.776 1.00 48.23 O HETATM 3481 O HOH B1124 11.219 15.591 20.570 1.00 40.03 O HETATM 3482 O HOH B1125 8.969 28.852 41.097 1.00 54.72 O HETATM 3483 O HOH B1126 -11.362 21.160 6.561 1.00 43.71 O HETATM 3484 O HOH B1127 11.610 13.188 19.559 1.00 35.43 O HETATM 3485 O HOH B1128 -10.261 33.739 27.111 1.00 40.01 O HETATM 3486 O HOH B1129 -14.805 4.403 9.703 1.00 65.89 O HETATM 3487 O HOH B1130 4.120 27.299 31.758 1.00 26.47 O HETATM 3488 O HOH B1131 -8.605 4.063 10.427 1.00 70.58 O HETATM 3489 O HOH B1132 -17.016 14.903 13.384 1.00 33.70 O HETATM 3490 O HOH B1133 -6.292 9.830 6.412 1.00 38.69 O HETATM 3491 O HOH B1134 1.622 18.351 29.713 1.00 30.70 O HETATM 3492 O HOH B1135 6.760 37.608 30.014 1.00 39.43 O HETATM 3493 O HOH B1136 12.235 43.454 23.279 1.00 59.04 O HETATM 3494 O HOH B1137 -13.503 5.905 20.176 1.00 88.53 O HETATM 3495 O HOH B1138 1.444 19.394 38.392 1.00 53.99 O HETATM 3496 O HOH B1139 5.265 37.191 13.746 1.00 51.02 O HETATM 3497 O HOH B1140 -10.987 23.911 24.799 1.00 29.01 O HETATM 3498 O HOH B1141 -10.730 31.179 24.710 1.00 25.39 O HETATM 3499 O HOH B1142 -24.694 20.271 8.931 1.00 31.61 O HETATM 3500 O HOH B1143 -0.709 35.592 11.123 1.00 42.86 O HETATM 3501 O HOH B1144 -11.019 10.288 22.080 1.00 28.17 O HETATM 3502 O HOH B1145 17.573 36.145 21.164 1.00 46.41 O HETATM 3503 O HOH B1146 -3.819 10.281 5.421 1.00 40.63 O HETATM 3504 O HOH B1147 -8.011 20.399 33.894 1.00 26.77 O HETATM 3505 O HOH B1148 -25.256 16.358 3.434 1.00 56.10 O HETATM 3506 O HOH B1149 -17.937 30.568 32.890 1.00 46.84 O HETATM 3507 O HOH B1150 11.394 39.933 28.791 1.00 52.18 O HETATM 3508 O HOH B1151 17.043 22.542 13.836 1.00 34.37 O HETATM 3509 O HOH B1152 0.583 36.694 41.642 1.00 51.80 O HETATM 3510 O HOH B1153 -25.869 26.179 8.707 1.00 46.84 O HETATM 3511 O HOH B1154 -9.521 11.989 23.522 1.00 31.32 O HETATM 3512 O HOH B1155 12.189 15.543 7.842 1.00 65.48 O HETATM 3513 O HOH B1156 -20.343 9.486 11.918 1.00 48.43 O HETATM 3514 O HOH B1157 -11.263 14.055 -2.684 1.00 50.97 O HETATM 3515 O HOH B1158 -4.493 36.593 24.649 1.00 52.92 O HETATM 3516 O HOH B1159 7.643 16.493 20.371 1.00 22.27 O HETATM 3517 O HOH B1160 6.510 28.433 34.673 1.00 39.17 O HETATM 3518 O HOH B1161 19.367 18.377 10.824 1.00 70.76 O HETATM 3519 O HOH B1162 -6.892 10.649 22.745 1.00 23.73 O HETATM 3520 O HOH B1163 6.923 33.058 37.485 1.00 47.38 O HETATM 3521 O HOH B1164 -5.871 30.577 41.201 1.00 46.02 O HETATM 3522 O HOH B1165 6.402 30.636 3.606 1.00 47.35 O HETATM 3523 O HOH B1166 10.404 28.869 30.897 1.00 53.41 O HETATM 3524 O HOH B1167 -1.955 5.529 9.713 1.00 69.80 O HETATM 3525 O HOH B1168 11.275 28.643 0.956 1.00 51.48 O HETATM 3526 O HOH B1169 -7.503 18.222 26.097 1.00 42.42 O HETATM 3527 O HOH B1170 2.260 35.913 24.280 1.00 40.39 O HETATM 3528 O HOH B1171 -3.567 21.902 4.498 1.00 52.61 O HETATM 3529 O HOH B1172 -19.003 30.098 19.617 1.00 82.85 O HETATM 3530 O HOH B1173 8.522 14.711 13.577 1.00 25.91 O HETATM 3531 O HOH B1174 10.238 29.181 28.954 1.00 31.54 O HETATM 3532 O HOH B1175 -25.435 20.602 3.798 1.00 38.56 O HETATM 3533 O HOH B1176 7.632 35.237 33.102 1.00 55.33 O HETATM 3534 O HOH B1177 -4.466 30.674 6.040 1.00 44.10 O HETATM 3535 O HOH B1178 -27.867 25.561 5.032 1.00 58.65 O HETATM 3536 O HOH B1179 -11.761 16.398 24.996 1.00 42.38 O HETATM 3537 O HOH B1180 -6.256 37.802 28.269 1.00 55.50 O HETATM 3538 O HOH B1181 1.122 28.371 47.388 1.00 52.60 O HETATM 3539 O HOH B1182 0.137 9.308 15.533 1.00 45.04 O HETATM 3540 O HOH B1183 7.710 21.847 2.984 1.00 50.89 O HETATM 3541 O HOH B1184 -20.236 29.140 31.498 1.00 59.70 O HETATM 3542 O HOH B1185 -20.988 12.860 5.644 1.00 53.09 O HETATM 3543 O HOH B1186 -11.105 7.330 14.126 1.00 39.67 O HETATM 3544 O HOH B1187 4.855 38.563 31.752 1.00 67.52 O HETATM 3545 O HOH B1188 -1.283 36.408 14.240 1.00 70.51 O HETATM 3546 O HOH B1189 1.711 37.693 28.820 1.00 36.32 O HETATM 3547 O HOH B1190 8.985 13.679 29.237 1.00 52.78 O HETATM 3548 O HOH B1191 -17.235 12.706 15.182 1.00 59.16 O HETATM 3549 O HOH B1192 2.519 16.685 4.110 1.00 60.58 O HETATM 3550 O HOH B1193 9.229 15.396 11.590 1.00 48.72 O HETATM 3551 O HOH B1194 -4.906 26.007 4.542 1.00 72.48 O HETATM 3552 O HOH B1195 3.120 10.892 16.779 1.00 52.63 O HETATM 3553 O HOH B1196 0.847 31.921 46.525 1.00 51.01 O HETATM 3554 O HOH B1197 -14.791 18.369 23.173 1.00 66.99 O HETATM 3555 O HOH B1198 8.556 31.165 36.907 1.00 63.68 O HETATM 3556 O HOH B1199 0.971 35.179 20.158 1.00 72.37 O HETATM 3557 O HOH B1200 -7.999 40.198 35.964 1.00 64.10 O HETATM 3558 O HOH B1201 -10.205 32.786 22.758 1.00 39.71 O HETATM 3559 O HOH B1202 -12.511 31.412 8.626 1.00 48.29 O HETATM 3560 O HOH B1203 0.770 40.184 30.227 1.00 68.36 O HETATM 3561 O HOH B1204 -4.130 9.095 25.411 1.00 52.89 O HETATM 3562 O HOH B1205 -0.655 6.512 7.473 1.00 61.48 O HETATM 3563 O HOH B1206 -11.888 32.352 20.220 1.00 36.65 O HETATM 3564 O HOH B1207 -7.712 20.032 4.023 1.00 58.03 O HETATM 3565 O HOH B1208 -20.256 12.323 -2.071 1.00 57.11 O HETATM 3566 O HOH B1209 -4.646 6.355 18.136 1.00 62.72 O HETATM 3567 O HOH B1210 -9.374 20.710 31.453 1.00 27.52 O HETATM 3568 O HOH B1211 -3.296 16.493 5.318 1.00 35.50 O HETATM 3569 O HOH B1212 -2.986 14.680 27.476 1.00 51.15 O HETATM 3570 O HOH B1213 1.293 37.761 26.320 1.00 54.39 O HETATM 3571 O HOH B1214 -17.411 29.014 25.979 1.00 60.42 O HETATM 3572 O HOH B1215 -4.300 39.136 29.713 1.00 46.30 O HETATM 3573 O HOH B1216 0.533 35.394 0.289 1.00 93.02 O HETATM 3574 O HOH B1217 8.784 30.282 33.158 1.00 54.72 O HETATM 3575 O HOH B1218 15.024 36.417 28.129 1.00 41.07 O HETATM 3576 O HOH B1219 -3.295 14.008 4.014 1.00 47.32 O HETATM 3577 O HOH B1220 -4.638 16.176 29.374 1.00 45.96 O HETATM 3578 O HOH B1221 -5.477 14.495 31.448 1.00 63.58 O HETATM 3579 O HOH B1222 -1.734 40.458 29.907 1.00 67.55 O HETATM 3580 O HOH B1223 -13.452 10.096 23.425 1.00 62.19 O HETATM 3581 O HOH B1224 -2.259 36.556 22.920 1.00 50.00 O HETATM 3582 O HOH B1225 6.405 39.685 33.859 1.00 59.41 O HETATM 3583 O HOH B1226 17.820 31.312 19.453 1.00 77.65 O HETATM 3584 O HOH B1227 -9.990 21.068 35.837 1.00 32.95 O HETATM 3585 O HOH B1228 -0.880 15.836 27.765 1.00 38.93 O HETATM 3586 O HOH B1229 -0.306 13.571 7.038 1.00 54.18 O HETATM 3587 O HOH B1230 -15.856 13.858 18.773 1.00 43.58 O HETATM 3588 O HOH B1231 -5.760 33.126 23.298 1.00 45.05 O HETATM 3589 O HOH B1232 -2.028 8.703 27.357 1.00 51.13 O HETATM 3590 O HOH B1233 -14.131 33.909 23.806 1.00 46.63 O HETATM 3591 O HOH B1234 -1.698 39.903 40.899 1.00 59.07 O HETATM 3592 O HOH B1235 -3.586 18.973 4.223 1.00 48.68 O HETATM 3593 O HOH B1236 -0.325 18.498 27.503 1.00 24.82 O HETATM 3594 O HOH B1237 -10.062 21.577 4.146 1.00 75.38 O HETATM 3595 O HOH B1238 -22.741 11.241 1.133 1.00 58.27 O HETATM 3596 O HOH B1239 -14.091 30.783 13.108 1.00 45.14 O HETATM 3597 O HOH B1240 13.107 32.117 27.990 1.00 31.05 O HETATM 3598 O HOH B1241 -20.845 6.286 17.408 1.00 83.24 O HETATM 3599 O HOH B1242 3.513 30.664 4.129 1.00 49.53 O HETATM 3600 O HOH B1243 -7.612 8.075 22.768 1.00 44.09 O HETATM 3601 O HOH B1244 6.238 12.952 12.840 1.00 51.20 O HETATM 3602 O HOH B1245 16.451 26.856 20.148 1.00 47.62 O HETATM 3603 O HOH B1246 -1.348 20.365 3.847 1.00 48.20 O HETATM 3604 O HOH B1247 -8.899 22.864 26.617 1.00 27.56 O HETATM 3605 O HOH B1248 -4.234 28.527 4.833 1.00 68.05 O HETATM 3606 O HOH B1249 -9.416 20.217 26.606 1.00 46.56 O HETATM 3607 O HOH B1250 4.457 10.535 8.871 1.00 60.11 O HETATM 3608 O HOH B1251 -16.807 31.626 16.194 1.00 59.08 O HETATM 3609 O HOH B1252 -2.821 8.865 21.666 1.00 55.74 O HETATM 3610 O HOH B1253 -7.775 32.891 21.421 1.00 31.55 O HETATM 3611 O HOH B1254 -10.028 34.139 16.913 1.00 48.41 O HETATM 3612 O HOH B1255 -11.483 19.634 24.442 1.00 44.03 O HETATM 3613 O HOH B1256 14.573 45.226 21.324 1.00 58.07 O HETATM 3614 O HOH B1257 7.815 35.327 38.636 1.00 62.59 O HETATM 3615 O HOH B1258 0.613 18.368 5.310 1.00 33.80 O HETATM 3616 O HOH B1259 9.876 35.685 36.382 1.00 72.27 O HETATM 3617 O HOH B1260 -4.743 6.843 20.701 1.00 56.70 O HETATM 3618 O HOH B1261 -10.968 35.562 13.740 1.00 72.49 O HETATM 3619 O HOH B1262 19.709 12.688 7.172 1.00 56.00 O HETATM 3620 O HOH B1263 -12.689 35.379 20.064 1.00 65.83 O HETATM 3621 O HOH B1264 -13.025 21.612 27.727 1.00 53.62 O HETATM 3622 O HOH B1265 -8.069 7.355 25.627 1.00 72.71 O CONECT 36 3019 CONECT 58 3019 CONECT 135 3020 CONECT 156 3020 CONECT 198 3019 CONECT 226 3019 CONECT 332 3020 CONECT 357 3020 CONECT 437 3021 CONECT 438 3021 CONECT 454 3021 CONECT 1578 3038 CONECT 1600 3038 CONECT 1680 3039 CONECT 1701 3039 CONECT 1743 3038 CONECT 1771 3038 CONECT 1881 3039 CONECT 1906 3039 CONECT 3019 36 58 198 226 CONECT 3020 135 156 332 357 CONECT 3021 437 438 454 CONECT 3022 3023 3027 CONECT 3023 3022 3024 CONECT 3024 3023 3025 CONECT 3025 3024 3026 3028 CONECT 3026 3025 3027 CONECT 3027 3022 3026 CONECT 3028 3025 3029 CONECT 3029 3028 3030 CONECT 3030 3029 3031 3032 3033 CONECT 3031 3030 CONECT 3032 3030 CONECT 3033 3030 CONECT 3034 3035 3036 CONECT 3035 3034 CONECT 3036 3034 3037 CONECT 3037 3036 CONECT 3038 1578 1600 1743 1771 CONECT 3039 1680 1701 1881 1906 CONECT 3040 3041 3042 CONECT 3041 3040 CONECT 3042 3040 3043 CONECT 3043 3042 END