USER MOD reduce.3.24.130724 H: found=0, std=0, add=2946, rem=0, adj=89 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSCRIPTION 08-FEB-17 5PZ4 TITLE PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SP100 AFTER TITLE 2 INITIAL REFINEMENT WITH NO LIGAND MODELLED (STRUCTURE 100) 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 5PZ4 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. 1.94 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) : 1.94 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 40.98 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 92.0 REMARK 3 NUMBER OF REFLECTIONS : 30934 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) : 0.165 REMARK 3 R VALUE (WORKING SET) : 0.163 REMARK 3 FREE R VALUE : 0.207 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.900 REMARK 3 FREE R VALUE TEST SET COUNT : 1584 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) : 1.94 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.99 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2324 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 93.92 REMARK 3 BIN R VALUE (WORKING SET) : 0.2730 REMARK 3 BIN FREE R VALUE SET COUNT : 117 REMARK 3 BIN FREE R VALUE : 0.2800 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) : 37.42 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.22000 REMARK 3 B22 (A**2) : 0.63000 REMARK 3 B33 (A**2) : 0.43000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.30000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.155 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.143 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.102 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.756 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.968 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.955 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 3125 ; 0.020 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 2888 ; 0.002 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 4223 ; 1.810 ; 1.936 REMARK 3 BOND ANGLES OTHERS (DEGREES): 6681 ; 1.075 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 386 ; 6.491 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 170 ;36.164 ;24.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 574 ;13.078 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 24 ;16.209 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 433 ; 0.127 ; 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 ; 4.047 ; 3.441 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 1451 ; 4.043 ; 3.436 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1820 ; 6.191 ; 5.124 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 5PZ4 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_1001401294. 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 : 32518 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.940 REMARK 200 RESOLUTION RANGE LOW (A) : 40.980 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 92.4 REMARK 200 DATA REDUNDANCY : 3.500 REMARK 200 R MERGE (I) : 0.07600 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 10.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.94 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.99 REMARK 200 COMPLETENESS FOR SHELL (%) : 94.4 REMARK 200 DATA REDUNDANCY IN SHELL : 3.50 REMARK 200 R MERGE FOR SHELL (I) : 0.65900 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 (%): 55.70 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.78 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 63.85500 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 22.81000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 63.85500 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 22.81000 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 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH B1050 LIES ON A SPECIAL POSITION. 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 O HOH A 1132 O HOH A 1243 1.84 REMARK 500 O2 EDO B 903 O HOH B 1001 1.87 REMARK 500 NH2 ARG A 803 O HOH A 1001 1.91 REMARK 500 O HOH A 1107 O HOH A 1189 1.99 REMARK 500 NH1 ARG A 803 O HOH A 1002 2.10 REMARK 500 O HOH A 1185 O HOH A 1228 2.11 REMARK 500 O HOH A 1194 O HOH A 1263 2.14 REMARK 500 NH1 ARG A 829 O HOH A 1003 2.15 REMARK 500 O HOH A 1174 O HOH A 1275 2.18 REMARK 500 O HOH A 1144 O HOH A 1190 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 1256 O HOH B 1256 2555 1.37 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 0.072 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 ARG A 829 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 ARG A 829 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES REMARK 500 ARG B 753 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 ARG B 753 NE - CZ - NH2 ANGL. DEV. = -3.4 DEGREES REMARK 500 ARG B 849 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 ARG B 855 NE - CZ - NH1 ANGL. DEV. = 3.0 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 -114.05 -104.56 REMARK 500 LYS A 737 90.27 60.78 REMARK 500 ASN A 802 88.55 -153.28 REMARK 500 ARG A 849 -110.79 52.15 REMARK 500 ASN B 709 19.57 56.36 REMARK 500 ASN B 738 105.14 -168.49 REMARK 500 PRO B 755 97.78 -68.84 REMARK 500 SER B 757 -158.06 -63.20 REMARK 500 GLN B 758 38.76 -71.16 REMARK 500 TYR B 801 -98.59 -114.38 REMARK 500 GLU B 804 -82.02 -136.31 REMARK 500 ARG B 849 -109.46 51.49 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 756 145.30 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 A1315 DISTANCE = 6.68 ANGSTROMS REMARK 525 HOH A1316 DISTANCE = 6.88 ANGSTROMS REMARK 525 HOH B1260 DISTANCE = 5.84 ANGSTROMS REMARK 525 HOH B1261 DISTANCE = 6.19 ANGSTROMS REMARK 525 HOH B1262 DISTANCE = 6.47 ANGSTROMS REMARK 525 HOH B1263 DISTANCE = 6.64 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 111.2 REMARK 620 3 HIS A 725 ND1 96.3 98.0 REMARK 620 4 CYS A 728 SG 113.8 117.7 116.8 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 112.1 REMARK 620 3 CYS A 742 SG 107.3 106.9 REMARK 620 4 CYS A 745 SG 107.4 104.2 119.1 REMARK 620 N 1 2 3 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 113.7 REMARK 620 3 HIS B 725 ND1 104.0 98.7 REMARK 620 4 CYS B 728 SG 111.1 116.1 111.9 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 111.2 REMARK 620 3 CYS B 742 SG 112.0 106.7 REMARK 620 4 CYS B 745 SG 107.7 104.8 114.3 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 5PZ4 A 700 879 UNP P23497 SP100_HUMAN 700 879 DBREF 5PZ4 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 ARG B 753 1 12 HELIX 11 AB2 GLN B 762 ARG B 769 1 8 HELIX 12 AB3 LEU B 772 ASP B 789 1 18 HELIX 13 AB4 SER B 790 ALA B 796 5 7 HELIX 14 AB5 TRP B 814 GLU B 824 1 11 HELIX 15 AB6 ARG B 829 ARG B 849 1 21 HELIX 16 AB7 PHE B 853 PHE B 872 1 20 SHEET 1 AA1 2 PHE A 715 CYS A 716 0 SHEET 2 AA1 2 SER A 723 PHE A 724 -1 O PHE A 724 N PHE A 715 SHEET 1 AA2 2 PHE B 715 CYS B 716 0 SHEET 2 AA2 2 SER B 723 PHE B 724 -1 O PHE B 724 N PHE B 715 LINK SG CYS A 705 ZN ZN A 901 1555 1555 2.25 LINK SG CYS A 708 ZN ZN A 901 1555 1555 2.35 LINK SG CYS A 717 ZN ZN A 902 1555 1555 2.28 LINK SG CYS A 720 ZN ZN A 902 1555 1555 2.20 LINK ND1 HIS A 725 ZN ZN A 901 1555 1555 2.23 LINK SG CYS A 728 ZN ZN A 901 1555 1555 2.19 LINK SG CYS A 742 ZN ZN A 902 1555 1555 2.47 LINK SG CYS A 745 ZN ZN A 902 1555 1555 2.35 LINK OE2 GLU A 756 ZN ZN A 903 1555 1555 2.51 LINK SG CYS B 705 ZN ZN B 901 1555 1555 2.26 LINK SG CYS B 708 ZN ZN B 901 1555 1555 2.29 LINK SG CYS B 717 ZN ZN B 902 1555 1555 2.17 LINK SG CYS B 720 ZN ZN B 902 1555 1555 2.36 LINK ND1 HIS B 725 ZN ZN B 901 1555 1555 2.17 LINK SG CYS B 728 ZN ZN B 901 1555 1555 2.26 LINK SG CYS B 742 ZN ZN B 902 1555 1555 2.39 LINK SG CYS B 745 ZN ZN B 902 1555 1555 2.38 CISPEP 1 ILE A 730 PRO A 731 0 -12.00 CISPEP 2 ASN A 738 PRO A 739 0 -7.42 CISPEP 3 ILE B 730 PRO B 731 0 -10.19 CISPEP 4 ASN B 738 PRO B 739 0 10.12 CISPEP 5 ARG B 803 GLU B 804 0 -6.69 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 14 ASN A 802 ARG A 803 TYR A 848 HOH A1001 SITE *** AC4 14 HOH A1034 HOH A1079 HOH A1088 HOH A1185 SITE *** AC4 14 HOH A1189 HOH A1228 ARG B 753 GLU B 774 SITE *** AC4 14 EDO B 903 HOH B1243 SITE *** AC5 6 GLU A 763 SER A 764 ARG A 838 HOH A1076 SITE *** AC5 6 HOH A1097 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 7 ARG A 803 MES A 904 ARG B 746 GLU B 774 SITE *** AC8 7 HOH B1001 HOH B1035 HOH B1171 CRYST1 127.710 45.620 83.740 90.00 101.84 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 0.007830 0.000000 0.001642 0.00000 SCALE2 0.000000 0.021920 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012201 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 762 GLN : amide:sc= -0.0185 X(o=-0.019,f=-0.08) USER MOD Set 1.2: B 875 GLN : amide:sc= 0 X(o=-0.019,f=-0.16) USER MOD Set 2.1: B 785 LYS NZ :NH3+ -162:sc= 0.212 (180deg=0) USER MOD Set 2.2: B 867 ASN : amide:sc= 1.01 K(o=1.2,f=0.51) USER MOD Set 3.1: B 791 LYS NZ :NH3+ 167:sc= 0.295 (180deg=0) USER MOD Set 3.2: B 859 GLN : amide:sc= 0.275 K(o=0.57,f=-1.8) USER MOD Set 4.1: B 842 HIS : no HD1:sc= -0.0761 X(o=1.1,f=1.2) USER MOD Set 4.2: B 843 ASN : amide:sc= 1.16 K(o=1.1,f=-0.4) USER MOD Set 5.1: B 813 MET CE :methyl 150:sc= -0.387 (180deg=-0.859) USER MOD Set 5.2: B 817 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: B 787 TYR OH : rot -13:sc= 1.25 USER MOD Set 6.2: B 816 ASN : amide:sc= 1.57 K(o=2.8,f=1.7) USER MOD Set 7.1: B 771 MET CE :methyl 168:sc= 0 (180deg=-0.0229) USER MOD Set 7.2: B 776 GLN : amide:sc= 1.76 K(o=2.1,f=-1!) USER MOD Set 7.3: B 779 CYS SG : rot 142:sc= 0.305 USER MOD Set 8.1: B 727 HIS : no HD1:sc= 0.28 K(o=0.65,f=-0.41) USER MOD Set 8.2: B 732 SER OG : rot -124:sc= 0.366 USER MOD Set 9.1: B 716 CYS SG A: rot -60:sc= 0.0458 USER MOD Set 9.2: B 723 SER OG : rot 150:sc= 1.29 USER MOD Set10.1: B 719 THR OG1 : rot 81:sc= 1.88 USER MOD Set10.2: B 741 SER OG : rot -74:sc= 1.13 USER MOD Set11.1: A 791 LYS NZ :NH3+ -172:sc= 1.49 (180deg=0.742) USER MOD Set11.2: A 859 GLN : amide:sc= 0.46 K(o=2,f=-1.2) USER MOD Set12.1: A 787 TYR OH : rot 5:sc= 1.28 USER MOD Set12.2: A 816 ASN : amide:sc= 1.43 K(o=2.7,f=1.3) USER MOD Set13.1: A 771 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set13.2: A 779 CYS SG : rot -101:sc= 0.49 USER MOD Set14.1: A 727 HIS : no HD1:sc= 0.771 K(o=1.7,f=-2.4) USER MOD Set14.2: A 732 SER OG : rot -123:sc= 0.974 USER MOD Set15.1: A 719 THR OG1 : rot 70:sc= 2.56 USER MOD Set15.2: A 741 SER OG : rot -49:sc= 1.3 USER MOD Set16.1: A 716 CYS SG : rot -49:sc= 0.106 USER MOD Set16.2: A 723 SER OG : rot 142:sc= 0.87 USER MOD Single : A 701 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.3) USER MOD Single : A 702 SER OG : rot 180:sc= 0 USER MOD Single : A 703 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 709 ASN : amide:sc= 0.405 X(o=0.4,f=0.043) USER MOD Single : A 710 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00341) USER MOD Single : A 729 HIS : no HE2:sc= 1.67 K(o=1.7,f=-7.6!) USER MOD Single : A 736 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 738 ASN : amide:sc= -1.23 K(o=-1.2,f=-3.9!) USER MOD Single : A 748 LYS NZ :NH3+ -173:sc= -0.032 (180deg=-0.0595) USER MOD Single : A 749 THR OG1 : rot 78:sc= 0.112 USER MOD Single : A 751 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 754 CYS SG A: rot 5:sc= 0.279 USER MOD Single : A 754 CYS SG B: rot 180:sc= -0.861 USER MOD Single : A 757 SER OG : rot -83:sc= 0.878 USER MOD Single : A 758 GLN : amide:sc= 0 X(o=0,f=0.034) USER MOD Single : A 759 SER OG : rot -177:sc= 1.25 USER MOD Single : A 761 HIS : no HE2:sc= -0.884 K(o=-0.88,f=-1.6) USER MOD Single : A 762 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Single : A 764 SER OG : rot -80:sc= 0.227 USER MOD Single : A 768 MET CE :methyl 170:sc= -0.122 (180deg=-0.402) USER MOD Single : A 770 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.33) USER MOD Single : A 776 GLN : amide:sc= 2.56 K(o=2.6,f=-0.44) USER MOD Single : A 778 LYS NZ A:NH3+ -135:sc= -1.15 (180deg=-1.26) USER MOD Single : A 778 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 785 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 788 CYS SG : rot 63:sc= 0.184 USER MOD Single : A 790 SER OG : rot -77:sc= 0 USER MOD Single : A 792 SER OG : rot -83:sc= 1.84 USER MOD Single : A 793 CYS SG : rot -86:sc= -0.109 USER MOD Single : A 797 SER OG : rot 100:sc= 0.336 USER MOD Single : A 800 TYR OH : rot 180:sc= 0 USER MOD Single : A 801 TYR OH : rot 13:sc= 2.32 USER MOD Single : A 802 ASN : amide:sc= -0.0555 K(o=-0.056,f=-1.7!) USER MOD Single : A 806 SER OG : rot -153:sc= 0.777 USER MOD Single : A 807 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.38) USER MOD Single : A 810 GLN : amide:sc= -0.0579 X(o=-0.058,f=-0.034) USER MOD Single : A 811 LYS NZ :NH3+ -143:sc= 0.513 (180deg=0.115) USER MOD Single : A 813 MET CE :methyl 171:sc=-0.00182 (180deg=-0.174) USER MOD Single : A 817 LYS NZ :NH3+ 160:sc= -0.133 (180deg=-0.638) USER MOD Single : A 819 LYS NZ :NH3+ 180:sc= 0.404 (180deg=0.404) USER MOD Single : A 820 THR OG1 : rot 88:sc= 0.0113 USER MOD Single : A 821 SER OG : rot 80:sc= 1.13 USER MOD Single : A 823 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 825 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 826 MET CE A:methyl -167:sc= -0.0374 (180deg=-0.204) USER MOD Single : A 826 MET CE B:methyl 177:sc= -1.46 (180deg=-1.49) USER MOD Single : A 827 TYR OH : rot 0:sc= 1.28 USER MOD Single : A 828 THR OG1 : rot 180:sc= 0 USER MOD Single : A 835 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 837 MET CE :methyl -167:sc=-0.00024 (180deg=-0.145) USER MOD Single : A 842 HIS : no HE2:sc= 1.82 K(o=1.8,f=-5.4!) USER MOD Single : A 843 ASN : amide:sc= 3.1 K(o=3.1,f=1.2) USER MOD Single : A 844 HIS : no HD1:sc= 1.48 K(o=1.5,f=-3.5!) 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= 1.01 USER MOD Single : A 852 LYS NZ :NH3+ -174:sc= 0.938 (180deg=0.83) USER MOD Single : A 854 THR OG1A: rot 180:sc= 0 USER MOD Single : A 854 THR OG1B: rot -77:sc= 0.12 USER MOD Single : A 861 GLN : amide:sc= 0.631 X(o=0.63,f=0.18) USER MOD Single : A 866 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 867 ASN : amide:sc= 2.33 K(o=2.3,f=1.1) USER MOD Single : A 870 ASN : amide:sc= 0.875 K(o=0.87,f=0.06) USER MOD Single : A 875 GLN : amide:sc= 0.163 X(o=0.16,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 USER MOD Single : A 905 EDO O1 : rot -80:sc= 1.26 USER MOD Single : A 905 EDO O2 : rot 180:sc= 0 USER MOD Single : B 701 ASN : amide:sc= -0.822 X(o=-0.82,f=-0.71) USER MOD Single : B 702 SER OG : rot 180:sc= 0.0751 USER MOD Single : B 703 ASN : amide:sc= 0.116 K(o=0.12,f=-3.5!) USER MOD Single : B 709 ASN : amide:sc= 0.108 X(o=0.11,f=0) USER MOD Single : B 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 716 CYS SG B: rot 15:sc= 0.454 USER MOD Single : B 729 HIS : no HE2:sc= 1.43 K(o=1.4,f=-7.6!) USER MOD Single : B 736 ASN : amide:sc= -0.727 K(o=-0.73,f=-4.8!) 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=-0.28) USER MOD Single : B 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 749 THR OG1 : rot 77:sc= 0.0299 USER MOD Single : B 751 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : B 754 CYS SG : rot 180:sc= 0 USER MOD Single : B 761 HIS : no HE2:sc= 0.131 K(o=0.13,f=-0.71) 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= -0.362 (180deg=-0.505) USER MOD Single : B 770 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : B 778 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 788 CYS SG : rot 69:sc= 0.115 USER MOD Single : B 790 SER OG : rot -100:sc= 0.0051 USER MOD Single : B 792 SER OG : rot -79:sc= 2.06 USER MOD Single : B 793 CYS SG : rot 180:sc= -0.0149 USER MOD Single : B 797 SER OG : rot 180:sc= 0 USER MOD Single : B 800 TYR OH : rot 180:sc= -0.693 USER MOD Single : B 801 TYR OH : rot 50:sc= 1.82 USER MOD Single : B 802 ASN : amide:sc= 0.0817 X(o=0.082,f=0) USER MOD Single : B 810 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 811 LYS NZ :NH3+ -135:sc= 0.0314 (180deg=0.00396) USER MOD Single : B 819 LYS NZ :NH3+ -173:sc= 0.551 (180deg=0.525) USER MOD Single : B 820 THR OG1 : rot 90:sc= 0.0697 USER MOD Single : B 821 SER OG : rot 75:sc= 0.321 USER MOD Single : B 823 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : B 825 GLN : amide:sc= 1.66 K(o=1.7,f=-2.1!) USER MOD Single : B 826 MET CE A:methyl -168:sc= -0.0124 (180deg=-0.163) USER MOD Single : B 826 MET CE B:methyl 180:sc= -0.0181 (180deg=-0.0181) USER MOD Single : B 827 TYR OH : rot -11:sc= 1.32 USER MOD Single : B 828 THR OG1 : rot 180:sc= 0 USER MOD Single : B 835 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : B 837 MET CE :methyl -161:sc= -0.0874 (180deg=-0.414) USER MOD Single : B 844 HIS : no HD1:sc= 1.21 K(o=1.2,f=-3.6!) USER MOD Single : B 845 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 848 TYR OH : rot 30:sc= 0.856 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 -85:sc= 1.29 USER MOD Single : B 861 GLN : amide:sc= 0.249 K(o=0.25,f=-0.31) USER MOD Single : B 866 LYS NZ :NH3+ -173:sc= 1.04 (180deg=0.882) USER MOD Single : B 870 ASN : amide:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : B 903 EDO O1 : rot -139:sc= 0.0869 USER MOD Single : B 903 EDO O2 : rot -23:sc= 0.294 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 701 14.695 -4.843 -4.100 1.00 61.90 N ATOM 2 CA ASN A 701 15.278 -3.826 -3.167 1.00 65.08 C ATOM 3 C ASN A 701 14.216 -2.836 -2.654 1.00 65.29 C ATOM 4 O ASN A 701 13.255 -2.488 -3.367 1.00 52.81 O ATOM 5 CB ASN A 701 16.460 -3.054 -3.807 1.00 69.71 C ATOM 6 CG ASN A 701 17.736 -3.877 -3.879 1.00 76.13 C ATOM 7 OD1 ASN A 701 18.136 -4.290 -4.959 1.00 77.09 O ATOM 8 ND2 ASN A 701 18.392 -4.108 -2.731 1.00 75.04 N ATOM 0 HA ASN A 701 15.619 -4.325 -2.409 1.00 65.08 H new ATOM 0 HB2 ASN A 701 16.211 -2.774 -4.702 1.00 69.71 H new ATOM 0 HB3 ASN A 701 16.629 -2.248 -3.294 1.00 69.71 H new ATOM 0 HD21 ASN A 701 19.123 -4.562 -2.737 1.00 75.04 H new ATOM 0 HD22 ASN A 701 18.082 -3.802 -1.989 1.00 75.04 H new ATOM 9 N SER A 702 14.395 -2.396 -1.410 1.00 58.23 N ATOM 10 CA SER A 702 13.612 -1.294 -0.851 1.00 54.53 C ATOM 11 C SER A 702 13.793 -0.029 -1.682 1.00 49.31 C ATOM 12 O SER A 702 14.842 0.175 -2.297 1.00 50.59 O ATOM 13 CB SER A 702 14.021 -1.003 0.614 1.00 51.83 C ATOM 14 OG SER A 702 13.066 -0.185 1.290 1.00 50.99 O ATOM 0 H SER A 702 14.973 -2.727 -0.866 1.00 58.23 H new ATOM 0 HA SER A 702 12.680 -1.562 -0.870 1.00 54.53 H new ATOM 0 HB2 SER A 702 14.122 -1.841 1.092 1.00 51.83 H new ATOM 0 HB3 SER A 702 14.886 -0.564 0.625 1.00 51.83 H new ATOM 0 HG SER A 702 13.321 -0.050 2.079 1.00 50.99 H new ATOM 15 N ASN A 703 12.752 0.810 -1.652 1.00 52.44 N ATOM 16 CA ASN A 703 12.666 2.129 -2.324 1.00 52.54 C ATOM 17 C ASN A 703 12.935 3.281 -1.392 1.00 47.58 C ATOM 18 O ASN A 703 12.931 4.438 -1.863 1.00 41.09 O ATOM 19 CB ASN A 703 11.242 2.371 -2.886 1.00 63.65 C ATOM 20 CG ASN A 703 10.692 1.162 -3.611 1.00 80.94 C ATOM 21 OD1 ASN A 703 11.446 0.393 -4.239 1.00 99.18 O ATOM 22 ND2 ASN A 703 9.380 0.959 -3.509 1.00 89.78 N ATOM 0 H ASN A 703 12.035 0.620 -1.217 1.00 52.44 H new ATOM 0 HA ASN A 703 13.338 2.098 -3.023 1.00 52.54 H new ATOM 0 HB2 ASN A 703 10.646 2.607 -2.158 1.00 63.65 H new ATOM 0 HB3 ASN A 703 11.261 3.127 -3.493 1.00 63.65 H new ATOM 0 HD21 ASN A 703 9.020 0.274 -3.885 1.00 89.78 H new ATOM 0 HD22 ASN A 703 8.892 1.512 -3.067 1.00 89.78 H new ATOM 23 N ILE A 704 13.188 2.983 -0.090 1.00 39.05 N ATOM 24 CA ILE A 704 13.691 3.995 0.852 1.00 35.94 C ATOM 25 C ILE A 704 15.019 3.530 1.548 1.00 32.51 C ATOM 26 O ILE A 704 15.262 2.349 1.705 1.00 34.00 O ATOM 27 CB ILE A 704 12.610 4.388 1.908 1.00 40.73 C ATOM 28 CG1 ILE A 704 12.121 3.165 2.702 1.00 42.99 C ATOM 29 CG2 ILE A 704 11.424 5.041 1.222 1.00 45.59 C ATOM 30 CD1 ILE A 704 11.161 3.432 3.862 1.00 43.77 C ATOM 0 H ILE A 704 13.072 2.204 0.255 1.00 39.05 H new ATOM 0 HA ILE A 704 13.895 4.788 0.333 1.00 35.94 H new ATOM 0 HB ILE A 704 13.022 5.011 2.527 1.00 40.73 H new ATOM 0 HG12 ILE A 704 11.686 2.558 2.083 1.00 42.99 H new ATOM 0 HG13 ILE A 704 12.898 2.703 3.053 1.00 42.99 H new ATOM 0 HG21 ILE A 704 10.758 5.281 1.885 1.00 45.59 H new ATOM 0 HG22 ILE A 704 11.719 5.839 0.756 1.00 45.59 H new ATOM 0 HG23 ILE A 704 11.036 4.420 0.586 1.00 45.59 H new ATOM 0 HD11 ILE A 704 10.923 2.592 4.285 1.00 43.77 H new ATOM 0 HD12 ILE A 704 11.591 4.010 4.511 1.00 43.77 H new ATOM 0 HD13 ILE A 704 10.359 3.863 3.526 1.00 43.77 H new ATOM 31 N CYS A 705 15.821 4.495 1.936 1.00 30.62 N ATOM 32 CA CYS A 705 17.016 4.320 2.775 1.00 33.45 C ATOM 33 C CYS A 705 16.644 3.675 4.109 1.00 30.78 C ATOM 34 O CYS A 705 15.757 4.101 4.819 1.00 27.77 O ATOM 35 CB CYS A 705 17.680 5.643 2.964 1.00 32.95 C ATOM 36 SG CYS A 705 19.197 5.654 3.998 1.00 29.57 S ATOM 0 H CYS A 705 15.689 5.315 1.714 1.00 30.62 H new ATOM 0 HA CYS A 705 17.642 3.723 2.336 1.00 33.45 H new ATOM 0 HB2 CYS A 705 17.905 5.998 2.090 1.00 32.95 H new ATOM 0 HB3 CYS A 705 17.037 6.252 3.360 1.00 32.95 H new ATOM 37 N GLU A 706 17.364 2.614 4.419 1.00 29.83 N ATOM 38 CA GLU A 706 17.192 1.861 5.616 1.00 31.83 C ATOM 39 C GLU A 706 17.416 2.720 6.858 1.00 26.59 C ATOM 40 O GLU A 706 16.747 2.515 7.829 1.00 23.27 O ATOM 41 CB GLU A 706 18.195 0.682 5.615 1.00 32.96 C ATOM 42 CG GLU A 706 17.973 -0.280 6.749 1.00 36.65 C ATOM 43 CD GLU A 706 16.873 -1.239 6.509 1.00 39.25 C ATOM 44 OE1 GLU A 706 16.225 -1.154 5.454 1.00 56.41 O ATOM 45 OE2 GLU A 706 16.683 -2.108 7.354 1.00 39.59 O ATOM 0 H GLU A 706 17.988 2.310 3.911 1.00 29.83 H new ATOM 0 HA GLU A 706 16.280 1.533 5.643 1.00 31.83 H new ATOM 0 HB2 GLU A 706 18.124 0.204 4.774 1.00 32.96 H new ATOM 0 HB3 GLU A 706 19.098 1.032 5.667 1.00 32.96 H new ATOM 0 HG2 GLU A 706 18.793 -0.774 6.909 1.00 36.65 H new ATOM 0 HG3 GLU A 706 17.783 0.223 7.556 1.00 36.65 H new ATOM 46 N VAL A 707 18.293 3.710 6.779 1.00 26.06 N ATOM 47 CA VAL A 707 18.717 4.479 7.938 1.00 23.28 C ATOM 48 C VAL A 707 17.748 5.651 8.189 1.00 31.95 C ATOM 49 O VAL A 707 17.276 5.822 9.315 1.00 28.86 O ATOM 50 CB VAL A 707 20.137 5.041 7.755 1.00 22.20 C ATOM 51 CG1 VAL A 707 20.577 5.875 8.932 1.00 23.08 C ATOM 52 CG2 VAL A 707 21.109 3.878 7.559 1.00 24.68 C ATOM 0 H VAL A 707 18.663 3.957 6.043 1.00 26.06 H new ATOM 0 HA VAL A 707 18.714 3.877 8.698 1.00 23.28 H new ATOM 0 HB VAL A 707 20.132 5.620 6.977 1.00 22.20 H new ATOM 0 HG11 VAL A 707 21.474 6.208 8.775 1.00 23.08 H new ATOM 0 HG12 VAL A 707 19.970 6.623 9.044 1.00 23.08 H new ATOM 0 HG13 VAL A 707 20.570 5.331 9.735 1.00 23.08 H new ATOM 0 HG21 VAL A 707 22.008 4.223 7.443 1.00 24.68 H new ATOM 0 HG22 VAL A 707 21.083 3.300 8.338 1.00 24.68 H new ATOM 0 HG23 VAL A 707 20.853 3.371 6.772 1.00 24.68 H new ATOM 53 N CYS A 708 17.524 6.485 7.162 1.00 25.15 N ATOM 54 CA CYS A 708 16.737 7.769 7.359 1.00 28.78 C ATOM 55 C CYS A 708 15.277 7.678 6.797 1.00 31.68 C ATOM 56 O CYS A 708 14.501 8.652 6.892 1.00 29.02 O ATOM 57 CB CYS A 708 17.504 8.946 6.770 1.00 26.24 C ATOM 58 SG CYS A 708 17.400 8.863 4.942 1.00 30.16 S ATOM 0 H CYS A 708 17.801 6.351 6.359 1.00 25.15 H new ATOM 0 HA CYS A 708 16.639 7.912 8.313 1.00 28.78 H new ATOM 0 HB2 CYS A 708 17.132 9.783 7.090 1.00 26.24 H new ATOM 0 HB3 CYS A 708 18.431 8.920 7.055 1.00 26.24 H new ATOM 59 N ASN A 709 14.893 6.485 6.291 1.00 31.93 N ATOM 60 CA ASN A 709 13.597 6.216 5.724 1.00 35.33 C ATOM 61 C ASN A 709 13.063 7.127 4.629 1.00 38.16 C ATOM 62 O ASN A 709 11.843 7.228 4.505 1.00 33.19 O ATOM 63 CB ASN A 709 12.585 6.166 6.853 1.00 37.43 C ATOM 64 CG ASN A 709 12.955 5.100 7.841 1.00 46.01 C ATOM 65 OD1 ASN A 709 13.481 5.383 8.908 1.00 50.80 O ATOM 66 ND2 ASN A 709 12.791 3.864 7.437 1.00 52.38 N ATOM 0 H ASN A 709 15.414 5.801 6.278 1.00 31.93 H new ATOM 0 HA ASN A 709 13.729 5.376 5.257 1.00 35.33 H new ATOM 0 HB2 ASN A 709 12.545 7.027 7.298 1.00 37.43 H new ATOM 0 HB3 ASN A 709 11.701 5.990 6.495 1.00 37.43 H new ATOM 0 HD21 ASN A 709 13.058 3.212 7.930 1.00 52.38 H new ATOM 0 HD22 ASN A 709 12.416 3.705 6.679 1.00 52.38 H new ATOM 67 N LYS A 710 13.951 7.807 3.907 1.00 33.36 N ATOM 68 CA LYS A 710 13.600 8.681 2.774 1.00 39.90 C ATOM 69 C LYS A 710 14.096 8.101 1.440 1.00 43.37 C ATOM 70 O LYS A 710 15.090 7.354 1.366 1.00 40.80 O ATOM 71 CB LYS A 710 14.262 10.033 2.929 1.00 34.85 C ATOM 72 CG LYS A 710 13.857 10.814 4.165 1.00 41.70 C ATOM 73 CD LYS A 710 12.429 11.289 4.069 1.00 46.94 C ATOM 74 CE LYS A 710 12.063 12.238 5.191 1.00 54.25 C ATOM 75 NZ LYS A 710 12.035 11.533 6.505 1.00 63.57 N ATOM 0 H LYS A 710 14.796 7.776 4.062 1.00 33.36 H new ATOM 0 HA LYS A 710 12.633 8.756 2.771 1.00 39.90 H new ATOM 0 HB2 LYS A 710 15.224 9.906 2.945 1.00 34.85 H new ATOM 0 HB3 LYS A 710 14.059 10.568 2.145 1.00 34.85 H new ATOM 0 HG2 LYS A 710 13.962 10.256 4.952 1.00 41.70 H new ATOM 0 HG3 LYS A 710 14.447 11.576 4.276 1.00 41.70 H new ATOM 0 HD2 LYS A 710 12.294 11.732 3.217 1.00 46.94 H new ATOM 0 HD3 LYS A 710 11.834 10.523 4.088 1.00 46.94 H new ATOM 0 HE2 LYS A 710 12.704 12.965 5.225 1.00 54.25 H new ATOM 0 HE3 LYS A 710 11.195 12.633 5.014 1.00 54.25 H new ATOM 0 HZ1 LYS A 710 11.790 12.103 7.143 1.00 63.57 H new ATOM 0 HZ2 LYS A 710 11.453 10.861 6.469 1.00 63.57 H new ATOM 0 HZ3 LYS A 710 12.845 11.214 6.688 1.00 63.57 H new ATOM 76 N TRP A 711 13.406 8.471 0.366 1.00 43.41 N ATOM 77 CA TRP A 711 13.842 8.177 -0.998 1.00 36.20 C ATOM 78 C TRP A 711 14.906 9.148 -1.404 1.00 35.76 C ATOM 79 O TRP A 711 15.369 9.997 -0.586 1.00 41.49 O ATOM 80 CB TRP A 711 12.626 8.165 -1.952 1.00 42.40 C ATOM 81 CG TRP A 711 12.907 7.867 -3.365 1.00 37.67 C ATOM 82 CD1 TRP A 711 13.234 6.682 -3.890 1.00 41.29 C ATOM 83 CD2 TRP A 711 12.863 8.795 -4.441 1.00 36.21 C ATOM 84 NE1 TRP A 711 13.423 6.800 -5.235 1.00 40.05 N ATOM 85 CE2 TRP A 711 13.169 8.091 -5.596 1.00 38.13 C ATOM 86 CE3 TRP A 711 12.535 10.152 -4.541 1.00 35.43 C ATOM 87 CZ2 TRP A 711 13.208 8.702 -6.841 1.00 40.26 C ATOM 88 CZ3 TRP A 711 12.584 10.759 -5.781 1.00 37.75 C ATOM 89 CH2 TRP A 711 12.900 10.025 -6.904 1.00 34.76 C ATOM 0 H TRP A 711 12.664 8.904 0.408 1.00 43.41 H new ATOM 0 HA TRP A 711 14.235 7.292 -1.045 1.00 36.20 H new ATOM 0 HB2 TRP A 711 11.989 7.511 -1.624 1.00 42.40 H new ATOM 0 HB3 TRP A 711 12.193 9.032 -1.904 1.00 42.40 H new ATOM 0 HD1 TRP A 711 13.320 5.892 -3.408 1.00 41.29 H new ATOM 0 HE1 TRP A 711 13.662 6.167 -5.766 1.00 40.05 H new ATOM 0 HE3 TRP A 711 12.289 10.636 -3.786 1.00 35.43 H new ATOM 0 HZ2 TRP A 711 13.437 8.224 -7.605 1.00 40.26 H new ATOM 0 HZ3 TRP A 711 12.403 11.668 -5.858 1.00 37.75 H new ATOM 0 HH2 TRP A 711 12.903 10.448 -7.732 1.00 34.76 H new ATOM 90 N GLY A 712 15.459 8.905 -2.598 1.00 33.86 N ATOM 91 CA GLY A 712 16.595 9.643 -3.086 1.00 33.44 C ATOM 92 C GLY A 712 17.511 8.749 -3.949 1.00 32.68 C ATOM 93 O GLY A 712 17.102 7.687 -4.420 1.00 35.20 O ATOM 0 H GLY A 712 15.174 8.301 -3.140 1.00 33.86 H new ATOM 0 HA2 GLY A 712 16.291 10.401 -3.610 1.00 33.44 H new ATOM 0 HA3 GLY A 712 17.098 9.999 -2.337 1.00 33.44 H new ATOM 94 N ARG A 713 18.725 9.231 -4.175 1.00 33.83 N ATOM 95 CA ARG A 713 19.805 8.450 -4.770 1.00 34.80 C ATOM 96 C ARG A 713 20.236 7.333 -3.791 1.00 38.58 C ATOM 97 O ARG A 713 20.930 7.577 -2.841 1.00 37.55 O ATOM 98 CB ARG A 713 20.957 9.368 -5.140 1.00 40.49 C ATOM 99 CG ARG A 713 22.110 8.704 -5.894 1.00 53.81 C ATOM 100 CD ARG A 713 21.701 8.007 -7.208 1.00 68.40 C ATOM 101 NE ARG A 713 22.738 7.089 -7.697 1.00 79.11 N ATOM 102 CZ ARG A 713 22.663 5.756 -7.792 1.00 81.06 C ATOM 103 NH1 ARG A 713 23.724 5.088 -8.248 1.00 89.79 N ATOM 104 NH2 ARG A 713 21.574 5.072 -7.454 1.00 78.83 N ATOM 0 H ARG A 713 18.951 10.038 -3.983 1.00 33.83 H new ATOM 0 HA ARG A 713 19.501 8.023 -5.586 1.00 34.80 H new ATOM 0 HB2 ARG A 713 20.611 10.093 -5.683 1.00 40.49 H new ATOM 0 HB3 ARG A 713 21.308 9.765 -4.327 1.00 40.49 H new ATOM 0 HG2 ARG A 713 22.780 9.376 -6.093 1.00 53.81 H new ATOM 0 HG3 ARG A 713 22.528 8.051 -5.312 1.00 53.81 H new ATOM 0 HD2 ARG A 713 20.876 7.516 -7.068 1.00 68.40 H new ATOM 0 HD3 ARG A 713 21.520 8.678 -7.885 1.00 68.40 H new ATOM 0 HE ARG A 713 23.477 7.449 -7.951 1.00 79.11 H new ATOM 0 HH11 ARG A 713 24.436 5.514 -8.473 1.00 89.79 H new ATOM 0 HH12 ARG A 713 23.696 4.231 -8.316 1.00 89.79 H new ATOM 0 HH21 ARG A 713 20.880 5.486 -7.160 1.00 78.83 H new ATOM 0 HH22 ARG A 713 21.564 4.215 -7.529 1.00 78.83 H new ATOM 105 N LEU A 714 19.783 6.125 -4.054 1.00 35.15 N ATOM 106 CA LEU A 714 20.038 4.981 -3.241 1.00 37.21 C ATOM 107 C LEU A 714 20.988 3.999 -3.917 1.00 46.36 C ATOM 108 O LEU A 714 20.962 3.842 -5.133 1.00 43.54 O ATOM 109 CB LEU A 714 18.745 4.226 -3.045 1.00 34.15 C ATOM 110 CG LEU A 714 17.705 5.077 -2.343 1.00 32.99 C ATOM 111 CD1 LEU A 714 16.455 4.264 -2.276 1.00 30.94 C ATOM 112 CD2 LEU A 714 18.144 5.528 -0.950 1.00 34.73 C ATOM 0 H LEU A 714 19.298 5.951 -4.743 1.00 35.15 H new ATOM 0 HA LEU A 714 20.425 5.302 -2.411 1.00 37.21 H new ATOM 0 HB2 LEU A 714 18.403 3.940 -3.906 1.00 34.15 H new ATOM 0 HB3 LEU A 714 18.913 3.424 -2.526 1.00 34.15 H new ATOM 0 HG LEU A 714 17.568 5.897 -2.842 1.00 32.99 H new ATOM 0 HD11 LEU A 714 15.760 4.774 -1.832 1.00 30.94 H new ATOM 0 HD12 LEU A 714 16.166 4.040 -3.174 1.00 30.94 H new ATOM 0 HD13 LEU A 714 16.625 3.449 -1.778 1.00 30.94 H new ATOM 0 HD21 LEU A 714 17.444 6.067 -0.549 1.00 34.73 H new ATOM 0 HD22 LEU A 714 18.311 4.750 -0.395 1.00 34.73 H new ATOM 0 HD23 LEU A 714 18.956 6.054 -1.021 1.00 34.73 H new ATOM 113 N PHE A 715 21.788 3.335 -3.098 1.00 41.87 N ATOM 114 CA PHE A 715 22.564 2.173 -3.496 1.00 39.88 C ATOM 115 C PHE A 715 22.001 0.922 -2.881 1.00 38.00 C ATOM 116 O PHE A 715 21.724 0.855 -1.682 1.00 45.83 O ATOM 117 CB PHE A 715 23.958 2.421 -3.063 1.00 36.62 C ATOM 118 CG PHE A 715 24.526 3.664 -3.635 1.00 40.81 C ATOM 119 CD1 PHE A 715 25.270 3.622 -4.792 1.00 46.51 C ATOM 120 CD2 PHE A 715 24.320 4.875 -3.029 1.00 46.09 C ATOM 121 CE1 PHE A 715 25.835 4.764 -5.315 1.00 51.57 C ATOM 122 CE2 PHE A 715 24.859 6.040 -3.548 1.00 51.75 C ATOM 123 CZ PHE A 715 25.615 5.988 -4.710 1.00 56.08 C ATOM 0 H PHE A 715 21.898 3.553 -2.273 1.00 41.87 H new ATOM 0 HA PHE A 715 22.532 2.040 -4.456 1.00 39.88 H new ATOM 0 HB2 PHE A 715 23.987 2.473 -2.095 1.00 36.62 H new ATOM 0 HB3 PHE A 715 24.512 1.668 -3.323 1.00 36.62 H new ATOM 0 HD1 PHE A 715 25.393 2.810 -5.228 1.00 46.51 H new ATOM 0 HD2 PHE A 715 23.808 4.916 -2.254 1.00 46.09 H new ATOM 0 HE1 PHE A 715 26.366 4.712 -6.077 1.00 51.57 H new ATOM 0 HE2 PHE A 715 24.715 6.853 -3.120 1.00 51.75 H new ATOM 0 HZ PHE A 715 25.969 6.766 -5.077 1.00 56.08 H new ATOM 124 N CYS A 716 21.882 -0.120 -3.664 1.00 34.79 N ATOM 125 CA CYS A 716 21.160 -1.287 -3.265 1.00 38.39 C ATOM 126 C CYS A 716 22.137 -2.382 -2.894 1.00 42.61 C ATOM 127 O CYS A 716 23.178 -2.497 -3.501 1.00 54.62 O ATOM 128 CB CYS A 716 20.290 -1.745 -4.414 1.00 50.31 C ATOM 129 SG CYS A 716 18.887 -0.656 -4.781 1.00 62.52 S ATOM 0 H CYS A 716 22.223 -0.168 -4.452 1.00 34.79 H new ATOM 0 HA CYS A 716 20.603 -1.084 -2.497 1.00 38.39 H new ATOM 0 HB2 CYS A 716 20.840 -1.823 -5.209 1.00 50.31 H new ATOM 0 HB3 CYS A 716 19.952 -2.632 -4.214 1.00 50.31 H new ATOM 0 HG CYS A 716 18.292 -0.413 -3.767 1.00 62.52 H new ATOM 130 N CYS A 717 21.822 -3.141 -1.859 1.00 45.36 N ATOM 131 CA CYS A 717 22.649 -4.263 -1.476 1.00 46.85 C ATOM 132 C CYS A 717 22.382 -5.414 -2.460 1.00 47.06 C ATOM 133 O CYS A 717 21.223 -5.648 -2.839 1.00 50.06 O ATOM 134 CB CYS A 717 22.286 -4.694 -0.070 1.00 42.23 C ATOM 135 SG CYS A 717 23.358 -5.958 0.626 1.00 39.46 S ATOM 0 H CYS A 717 21.129 -3.021 -1.364 1.00 45.36 H new ATOM 0 HA CYS A 717 23.587 -4.018 -1.498 1.00 46.85 H new ATOM 0 HB2 CYS A 717 22.305 -3.916 0.509 1.00 42.23 H new ATOM 0 HB3 CYS A 717 21.374 -5.025 -0.071 1.00 42.23 H new ATOM 136 N ASP A 718 23.425 -6.166 -2.798 1.00 44.81 N ATOM 137 CA ASP A 718 23.275 -7.309 -3.707 1.00 47.97 C ATOM 138 C ASP A 718 22.899 -8.575 -2.958 1.00 51.31 C ATOM 139 O ASP A 718 22.358 -9.478 -3.564 1.00 61.24 O ATOM 140 CB ASP A 718 24.503 -7.453 -4.598 1.00 47.55 C ATOM 141 CG ASP A 718 24.625 -6.313 -5.616 1.00 53.08 C ATOM 142 OD1 ASP A 718 23.671 -6.118 -6.387 1.00 65.68 O ATOM 143 OD2 ASP A 718 25.659 -5.602 -5.694 1.00 51.42 O ATOM 0 H ASP A 718 24.227 -6.035 -2.515 1.00 44.81 H new ATOM 0 HA ASP A 718 22.529 -7.140 -4.303 1.00 47.97 H new ATOM 0 HB2 ASP A 718 25.300 -7.476 -4.045 1.00 47.55 H new ATOM 0 HB3 ASP A 718 24.460 -8.300 -5.069 1.00 47.55 H new ATOM 144 N THR A 719 23.073 -8.633 -1.632 1.00 46.52 N ATOM 145 CA THR A 719 22.740 -9.838 -0.886 1.00 40.83 C ATOM 146 C THR A 719 21.559 -9.756 0.009 1.00 44.97 C ATOM 147 O THR A 719 21.246 -10.726 0.691 1.00 48.68 O ATOM 148 CB THR A 719 23.967 -10.316 -0.089 1.00 49.35 C ATOM 149 OG1 THR A 719 24.548 -9.233 0.649 1.00 42.14 O ATOM 150 CG2 THR A 719 25.024 -10.845 -1.066 1.00 50.64 C ATOM 0 H THR A 719 23.381 -7.987 -1.155 1.00 46.52 H new ATOM 0 HA THR A 719 22.482 -10.479 -1.567 1.00 40.83 H new ATOM 0 HB THR A 719 23.681 -11.009 0.526 1.00 49.35 H new ATOM 0 HG1 THR A 719 24.032 -9.010 1.273 1.00 42.14 H new ATOM 0 HG21 THR A 719 25.801 -11.148 -0.570 1.00 50.64 H new ATOM 0 HG22 THR A 719 24.655 -11.586 -1.572 1.00 50.64 H new ATOM 0 HG23 THR A 719 25.286 -10.136 -1.674 1.00 50.64 H new ATOM 151 N CYS A 720 20.919 -8.597 0.089 1.00 41.81 N ATOM 152 CA CYS A 720 19.672 -8.476 0.859 1.00 41.64 C ATOM 153 C CYS A 720 18.878 -7.357 0.196 1.00 31.60 C ATOM 154 O CYS A 720 19.434 -6.656 -0.615 1.00 41.50 O ATOM 155 CB CYS A 720 19.937 -8.201 2.372 1.00 43.10 C ATOM 156 SG CYS A 720 20.409 -6.480 2.821 1.00 36.32 S ATOM 0 H CYS A 720 21.181 -7.870 -0.289 1.00 41.81 H new ATOM 0 HA CYS A 720 19.173 -9.308 0.848 1.00 41.64 H new ATOM 0 HB2 CYS A 720 19.137 -8.436 2.868 1.00 43.10 H new ATOM 0 HB3 CYS A 720 20.642 -8.797 2.670 1.00 43.10 H new ATOM 157 N PRO A 721 17.619 -7.169 0.571 1.00 38.38 N ATOM 158 CA PRO A 721 16.824 -6.094 -0.031 1.00 44.13 C ATOM 159 C PRO A 721 17.005 -4.636 0.512 1.00 47.73 C ATOM 160 O PRO A 721 16.253 -3.765 0.089 1.00 47.91 O ATOM 161 CB PRO A 721 15.386 -6.565 0.192 1.00 44.87 C ATOM 162 CG PRO A 721 15.438 -7.450 1.389 1.00 46.40 C ATOM 163 CD PRO A 721 16.863 -7.883 1.621 1.00 43.37 C ATOM 0 HA PRO A 721 17.112 -5.982 -0.951 1.00 44.13 H new ATOM 0 HB2 PRO A 721 14.791 -5.813 0.339 1.00 44.87 H new ATOM 0 HB3 PRO A 721 15.051 -7.044 -0.582 1.00 44.87 H new ATOM 0 HG2 PRO A 721 15.100 -6.980 2.167 1.00 46.40 H new ATOM 0 HG3 PRO A 721 14.870 -8.225 1.257 1.00 46.40 H new ATOM 0 HD2 PRO A 721 17.170 -7.640 2.509 1.00 43.37 H new ATOM 0 HD3 PRO A 721 16.961 -8.845 1.540 1.00 43.37 H new ATOM 164 N ARG A 722 18.001 -4.339 1.346 1.00 37.02 N ATOM 165 CA ARG A 722 18.121 -2.964 1.874 1.00 37.57 C ATOM 166 C ARG A 722 18.750 -2.062 0.897 1.00 32.14 C ATOM 167 O ARG A 722 19.562 -2.483 0.072 1.00 34.29 O ATOM 168 CB ARG A 722 18.945 -2.901 3.189 1.00 35.83 C ATOM 169 CG ARG A 722 18.405 -3.805 4.268 1.00 36.74 C ATOM 170 CD ARG A 722 19.265 -3.851 5.518 1.00 34.27 C ATOM 171 NE ARG A 722 18.581 -4.532 6.612 1.00 31.81 N ATOM 172 CZ ARG A 722 18.744 -5.821 6.916 1.00 32.29 C ATOM 173 NH1 ARG A 722 19.522 -6.596 6.200 1.00 33.68 N ATOM 174 NH2 ARG A 722 18.121 -6.348 7.919 1.00 33.03 N ATOM 0 H ARG A 722 18.602 -4.892 1.615 1.00 37.02 H new ATOM 0 HA ARG A 722 17.212 -2.677 2.055 1.00 37.57 H new ATOM 0 HB2 ARG A 722 19.865 -3.145 3.000 1.00 35.83 H new ATOM 0 HB3 ARG A 722 18.955 -1.987 3.515 1.00 35.83 H new ATOM 0 HG2 ARG A 722 17.514 -3.509 4.510 1.00 36.74 H new ATOM 0 HG3 ARG A 722 18.319 -4.703 3.912 1.00 36.74 H new ATOM 0 HD2 ARG A 722 20.099 -4.307 5.322 1.00 34.27 H new ATOM 0 HD3 ARG A 722 19.492 -2.948 5.789 1.00 34.27 H new ATOM 0 HE ARG A 722 18.036 -4.072 7.093 1.00 31.81 H new ATOM 0 HH11 ARG A 722 19.939 -6.276 5.520 1.00 33.68 H new ATOM 0 HH12 ARG A 722 19.615 -7.425 6.411 1.00 33.68 H new ATOM 0 HH21 ARG A 722 17.594 -5.867 8.399 1.00 33.03 H new ATOM 0 HH22 ARG A 722 18.233 -7.180 8.106 1.00 33.03 H new ATOM 175 N SER A 723 18.441 -0.782 1.032 1.00 29.58 N ATOM 176 CA SER A 723 19.105 0.294 0.245 1.00 28.64 C ATOM 177 C SER A 723 19.532 1.436 1.127 1.00 28.37 C ATOM 178 O SER A 723 18.904 1.665 2.182 1.00 34.46 O ATOM 179 CB SER A 723 18.154 0.837 -0.887 1.00 36.56 C ATOM 180 OG SER A 723 17.539 -0.261 -1.621 1.00 40.91 O ATOM 0 H SER A 723 17.842 -0.495 1.578 1.00 29.58 H new ATOM 0 HA SER A 723 19.893 -0.098 -0.162 1.00 28.64 H new ATOM 0 HB2 SER A 723 17.464 1.395 -0.495 1.00 36.56 H new ATOM 0 HB3 SER A 723 18.659 1.397 -1.498 1.00 36.56 H new ATOM 0 HG SER A 723 16.743 -0.065 -1.803 1.00 40.91 H new ATOM 181 N PHE A 724 20.528 2.194 0.684 1.00 25.66 N ATOM 182 CA PHE A 724 21.101 3.291 1.430 1.00 24.75 C ATOM 183 C PHE A 724 21.433 4.490 0.599 1.00 28.56 C ATOM 184 O PHE A 724 21.955 4.363 -0.510 1.00 28.74 O ATOM 185 CB PHE A 724 22.423 2.826 2.133 1.00 24.98 C ATOM 186 CG PHE A 724 22.248 1.603 2.965 1.00 27.38 C ATOM 187 CD1 PHE A 724 22.169 0.358 2.371 1.00 27.10 C ATOM 188 CD2 PHE A 724 22.122 1.712 4.394 1.00 24.93 C ATOM 189 CE1 PHE A 724 21.943 -0.791 3.156 1.00 27.99 C ATOM 190 CE2 PHE A 724 21.893 0.567 5.150 1.00 26.25 C ATOM 191 CZ PHE A 724 21.824 -0.691 4.519 1.00 28.12 C ATOM 0 H PHE A 724 20.897 2.076 -0.084 1.00 25.66 H new ATOM 0 HA PHE A 724 20.417 3.551 2.067 1.00 24.75 H new ATOM 0 HB2 PHE A 724 23.099 2.657 1.458 1.00 24.98 H new ATOM 0 HB3 PHE A 724 22.755 3.546 2.692 1.00 24.98 H new ATOM 0 HD1 PHE A 724 22.265 0.278 1.449 1.00 27.10 H new ATOM 0 HD2 PHE A 724 22.193 2.541 4.809 1.00 24.93 H new ATOM 0 HE1 PHE A 724 21.874 -1.623 2.747 1.00 27.99 H new ATOM 0 HE2 PHE A 724 21.785 0.632 6.071 1.00 26.25 H new ATOM 0 HZ PHE A 724 21.697 -1.458 5.029 1.00 28.12 H new ATOM 192 N HIS A 725 21.271 5.675 1.192 1.00 27.36 N ATOM 193 CA HIS A 725 22.010 6.805 0.732 1.00 29.36 C ATOM 194 C HIS A 725 23.484 6.556 0.970 1.00 35.91 C ATOM 195 O HIS A 725 23.866 5.839 1.924 1.00 35.48 O ATOM 196 CB HIS A 725 21.638 8.138 1.408 1.00 30.58 C ATOM 197 CG HIS A 725 20.238 8.583 1.155 1.00 37.89 C ATOM 198 ND1 HIS A 725 19.218 8.354 2.043 1.00 38.10 N ATOM 199 CD2 HIS A 725 19.662 9.184 0.078 1.00 45.14 C ATOM 200 CE1 HIS A 725 18.082 8.818 1.569 1.00 35.32 C ATOM 201 NE2 HIS A 725 18.321 9.332 0.369 1.00 43.36 N ATOM 0 H HIS A 725 20.741 5.827 1.852 1.00 27.36 H new ATOM 0 HA HIS A 725 21.791 6.898 -0.208 1.00 29.36 H new ATOM 0 HB2 HIS A 725 21.771 8.052 2.365 1.00 30.58 H new ATOM 0 HB3 HIS A 725 22.246 8.827 1.098 1.00 30.58 H new ATOM 0 HD2 HIS A 725 20.091 9.445 -0.705 1.00 45.14 H new ATOM 0 HE1 HIS A 725 17.258 8.791 1.999 1.00 35.32 H new ATOM 0 HE2 HIS A 725 17.736 9.698 -0.144 1.00 43.36 H new ATOM 202 N GLU A 726 24.290 7.242 0.155 1.00 33.30 N ATOM 203 CA GLU A 726 25.730 7.109 0.108 1.00 38.27 C ATOM 204 C GLU A 726 26.351 7.338 1.499 1.00 37.55 C ATOM 205 O GLU A 726 27.139 6.521 1.961 1.00 37.86 O ATOM 206 CB GLU A 726 26.326 8.132 -0.884 1.00 39.03 C ATOM 207 CG GLU A 726 27.847 8.132 -0.970 1.00 46.32 C ATOM 208 CD GLU A 726 28.431 9.102 -2.000 1.00 54.84 C ATOM 209 OE1 GLU A 726 27.674 9.909 -2.575 1.00 54.00 O ATOM 210 OE2 GLU A 726 29.666 9.063 -2.210 1.00 55.65 O ATOM 0 H GLU A 726 23.990 7.820 -0.406 1.00 33.30 H new ATOM 0 HA GLU A 726 25.936 6.207 -0.185 1.00 38.27 H new ATOM 0 HB2 GLU A 726 25.965 7.955 -1.767 1.00 39.03 H new ATOM 0 HB3 GLU A 726 26.030 9.020 -0.630 1.00 39.03 H new ATOM 0 HG2 GLU A 726 28.208 8.351 -0.097 1.00 46.32 H new ATOM 0 HG3 GLU A 726 28.146 7.234 -1.183 1.00 46.32 H new ATOM 211 N HIS A 727 26.014 8.456 2.126 1.00 31.36 N ATOM 212 CA HIS A 727 26.560 8.789 3.434 1.00 31.95 C ATOM 213 C HIS A 727 25.655 8.414 4.662 1.00 28.70 C ATOM 214 O HIS A 727 25.993 8.696 5.808 1.00 31.10 O ATOM 215 CB HIS A 727 26.864 10.267 3.453 1.00 37.07 C ATOM 216 CG HIS A 727 27.899 10.679 2.462 1.00 47.12 C ATOM 217 ND1 HIS A 727 29.022 9.922 2.195 1.00 59.23 N ATOM 218 CD2 HIS A 727 28.025 11.803 1.729 1.00 55.75 C ATOM 219 CE1 HIS A 727 29.778 10.543 1.311 1.00 60.14 C ATOM 220 NE2 HIS A 727 29.194 11.687 1.010 1.00 67.30 N ATOM 0 H HIS A 727 25.467 9.039 1.809 1.00 31.36 H new ATOM 0 HA HIS A 727 27.356 8.246 3.544 1.00 31.95 H new ATOM 0 HB2 HIS A 727 26.047 10.759 3.279 1.00 37.07 H new ATOM 0 HB3 HIS A 727 27.161 10.516 4.342 1.00 37.07 H new ATOM 0 HD2 HIS A 727 27.434 12.521 1.712 1.00 55.75 H new ATOM 0 HE1 HIS A 727 30.581 10.230 0.961 1.00 60.14 H new ATOM 0 HE2 HIS A 727 29.496 12.269 0.453 1.00 67.30 H new ATOM 221 N CYS A 728 24.559 7.739 4.424 1.00 28.56 N ATOM 222 CA CYS A 728 23.763 7.090 5.496 1.00 26.32 C ATOM 223 C CYS A 728 24.406 5.717 5.871 1.00 27.40 C ATOM 224 O CYS A 728 24.454 5.340 7.040 1.00 27.01 O ATOM 225 CB CYS A 728 22.291 6.938 5.095 1.00 29.79 C ATOM 226 SG CYS A 728 21.267 8.503 5.200 1.00 30.85 S ATOM 0 H CYS A 728 24.233 7.630 3.635 1.00 28.56 H new ATOM 0 HA CYS A 728 23.776 7.661 6.280 1.00 26.32 H new ATOM 0 HB2 CYS A 728 22.252 6.604 4.185 1.00 29.79 H new ATOM 0 HB3 CYS A 728 21.884 6.264 5.662 1.00 29.79 H new ATOM 227 N HIS A 729 24.913 4.994 4.886 1.00 25.00 N ATOM 228 CA HIS A 729 25.648 3.781 5.141 1.00 26.84 C ATOM 229 C HIS A 729 26.934 4.133 5.844 1.00 21.72 C ATOM 230 O HIS A 729 27.508 5.201 5.661 1.00 24.42 O ATOM 231 CB HIS A 729 25.938 2.990 3.822 1.00 23.01 C ATOM 232 CG HIS A 729 26.298 1.568 4.067 1.00 24.87 C ATOM 233 ND1 HIS A 729 27.610 1.168 4.272 1.00 26.24 N ATOM 234 CD2 HIS A 729 25.534 0.474 4.241 1.00 24.52 C ATOM 235 CE1 HIS A 729 27.625 -0.133 4.492 1.00 24.55 C ATOM 236 NE2 HIS A 729 26.382 -0.572 4.457 1.00 27.64 N ATOM 0 H HIS A 729 24.838 5.196 4.053 1.00 25.00 H new ATOM 0 HA HIS A 729 25.111 3.202 5.704 1.00 26.84 H new ATOM 0 HB2 HIS A 729 25.156 3.027 3.250 1.00 23.01 H new ATOM 0 HB3 HIS A 729 26.661 3.424 3.342 1.00 23.01 H new ATOM 0 HD1 HIS A 729 28.299 1.682 4.258 1.00 26.24 H new ATOM 0 HD2 HIS A 729 24.605 0.438 4.218 1.00 24.52 H new ATOM 0 HE1 HIS A 729 28.382 -0.651 4.645 1.00 24.55 H new ATOM 237 N ILE A 730 27.388 3.233 6.697 1.00 23.60 N ATOM 238 CA ILE A 730 28.648 3.433 7.397 1.00 22.73 C ATOM 239 C ILE A 730 29.416 2.086 7.282 1.00 26.09 C ATOM 240 O ILE A 730 28.850 1.035 7.649 1.00 25.91 O ATOM 241 CB ILE A 730 28.457 3.651 8.873 1.00 22.93 C ATOM 242 CG1 ILE A 730 27.588 4.874 9.140 1.00 24.14 C ATOM 243 CG2 ILE A 730 29.823 3.814 9.527 1.00 22.45 C ATOM 244 CD1 ILE A 730 27.349 5.204 10.622 1.00 22.22 C ATOM 0 H ILE A 730 26.984 2.498 6.887 1.00 23.60 H new ATOM 0 HA ILE A 730 29.096 4.204 7.014 1.00 22.73 H new ATOM 0 HB ILE A 730 28.001 2.883 9.251 1.00 22.93 H new ATOM 0 HG12 ILE A 730 28.000 5.643 8.716 1.00 24.14 H new ATOM 0 HG13 ILE A 730 26.728 4.740 8.712 1.00 24.14 H new ATOM 0 HG21 ILE A 730 29.711 3.955 10.480 1.00 22.45 H new ATOM 0 HG22 ILE A 730 30.350 3.013 9.379 1.00 22.45 H new ATOM 0 HG23 ILE A 730 30.279 4.577 9.139 1.00 22.45 H new ATOM 0 HD11 ILE A 730 26.789 5.993 10.692 1.00 22.22 H new ATOM 0 HD12 ILE A 730 26.908 4.455 11.053 1.00 22.22 H new ATOM 0 HD13 ILE A 730 28.199 5.372 11.057 1.00 22.22 H new ATOM 245 N PRO A 731 30.616 2.088 6.759 1.00 27.28 N ATOM 246 CA PRO A 731 31.285 3.162 6.030 1.00 30.41 C ATOM 247 C PRO A 731 30.519 3.668 4.808 1.00 27.55 C ATOM 248 O PRO A 731 29.590 2.989 4.391 1.00 26.95 O ATOM 249 CB PRO A 731 32.572 2.478 5.513 1.00 35.29 C ATOM 250 CG PRO A 731 32.694 1.206 6.273 1.00 32.54 C ATOM 251 CD PRO A 731 31.301 0.784 6.604 1.00 37.73 C ATOM 0 HA PRO A 731 31.401 3.933 6.608 1.00 30.41 H new ATOM 0 HB2 PRO A 731 32.516 2.309 4.560 1.00 35.29 H new ATOM 0 HB3 PRO A 731 33.347 3.043 5.656 1.00 35.29 H new ATOM 0 HG2 PRO A 731 33.145 0.529 5.745 1.00 32.54 H new ATOM 0 HG3 PRO A 731 33.218 1.333 7.079 1.00 32.54 H new ATOM 0 HD2 PRO A 731 30.906 0.248 5.899 1.00 37.73 H new ATOM 0 HD3 PRO A 731 31.265 0.255 7.416 1.00 37.73 H new ATOM 252 N SER A 732 30.854 4.871 4.302 1.00 29.88 N ATOM 253 CA SER A 732 30.127 5.415 3.079 1.00 37.86 C ATOM 254 C SER A 732 30.179 4.423 1.914 1.00 41.04 C ATOM 255 O SER A 732 31.098 3.558 1.858 1.00 41.32 O ATOM 256 CB SER A 732 30.719 6.721 2.603 1.00 41.42 C ATOM 257 OG SER A 732 30.456 7.737 3.537 1.00 49.24 O ATOM 0 H SER A 732 31.468 5.383 4.620 1.00 29.88 H new ATOM 0 HA SER A 732 29.209 5.558 3.357 1.00 37.86 H new ATOM 0 HB2 SER A 732 31.676 6.625 2.480 1.00 41.42 H new ATOM 0 HB3 SER A 732 30.344 6.959 1.741 1.00 41.42 H new ATOM 0 HG SER A 732 30.047 8.366 3.159 1.00 49.24 H new ATOM 258 N VAL A 733 29.170 4.446 1.048 1.00 45.63 N ATOM 259 CA VAL A 733 28.972 3.313 0.149 1.00 45.29 C ATOM 260 C VAL A 733 30.148 3.303 -0.817 1.00 52.20 C ATOM 261 O VAL A 733 30.590 4.348 -1.265 1.00 46.27 O ATOM 262 CB VAL A 733 27.661 3.331 -0.613 1.00 44.96 C ATOM 263 CG1 VAL A 733 27.606 2.186 -1.647 1.00 45.52 C ATOM 264 CG2 VAL A 733 26.469 3.162 0.324 1.00 45.01 C ATOM 0 H VAL A 733 28.604 5.088 0.965 1.00 45.63 H new ATOM 0 HA VAL A 733 28.927 2.507 0.687 1.00 45.29 H new ATOM 0 HB VAL A 733 27.614 4.192 -1.058 1.00 44.96 H new ATOM 0 HG11 VAL A 733 26.760 2.218 -2.121 1.00 45.52 H new ATOM 0 HG12 VAL A 733 28.335 2.286 -2.280 1.00 45.52 H new ATOM 0 HG13 VAL A 733 27.689 1.334 -1.191 1.00 45.52 H new ATOM 0 HG21 VAL A 733 25.647 3.178 -0.191 1.00 45.01 H new ATOM 0 HG22 VAL A 733 26.542 2.315 0.791 1.00 45.01 H new ATOM 0 HG23 VAL A 733 26.459 3.886 0.969 1.00 45.01 H new ATOM 265 N GLU A 734 30.697 2.113 -1.044 1.00 57.77 N ATOM 266 CA GLU A 734 32.006 1.954 -1.712 1.00 68.40 C ATOM 267 C GLU A 734 31.823 2.202 -3.244 1.00 71.80 C ATOM 268 O GLU A 734 30.778 1.855 -3.808 1.00 59.20 O ATOM 269 CB GLU A 734 32.601 0.564 -1.355 1.00 68.89 C ATOM 270 CG GLU A 734 32.959 0.340 0.147 1.00 70.42 C ATOM 271 CD GLU A 734 31.797 0.080 1.163 1.00 75.35 C ATOM 272 OE1 GLU A 734 30.696 -0.358 0.817 1.00 78.06 O ATOM 273 OE2 GLU A 734 31.964 0.299 2.372 1.00 74.32 O ATOM 0 H GLU A 734 30.328 1.370 -0.818 1.00 57.77 H new ATOM 0 HA GLU A 734 32.651 2.608 -1.401 1.00 68.40 H new ATOM 0 HB2 GLU A 734 31.966 -0.119 -1.623 1.00 68.89 H new ATOM 0 HB3 GLU A 734 33.403 0.429 -1.884 1.00 68.89 H new ATOM 0 HG2 GLU A 734 33.567 -0.414 0.196 1.00 70.42 H new ATOM 0 HG3 GLU A 734 33.449 1.120 0.453 1.00 70.42 H new ATOM 274 N ALA A 735 32.803 2.858 -3.885 1.00 89.56 N ATOM 275 CA ALA A 735 32.666 3.354 -5.287 1.00 97.38 C ATOM 276 C ALA A 735 32.274 2.266 -6.287 1.00108.69 C ATOM 277 O ALA A 735 31.241 2.371 -6.964 1.00118.12 O ATOM 278 CB ALA A 735 33.942 4.044 -5.761 1.00 92.97 C ATOM 0 H ALA A 735 33.566 3.032 -3.529 1.00 89.56 H new ATOM 0 HA ALA A 735 31.939 3.995 -5.259 1.00 97.38 H new ATOM 0 HB1 ALA A 735 33.823 4.354 -6.672 1.00 92.97 H new ATOM 0 HB2 ALA A 735 34.134 4.800 -5.185 1.00 92.97 H new ATOM 0 HB3 ALA A 735 34.681 3.416 -5.728 1.00 92.97 H new ATOM 279 N ASN A 736 33.087 1.219 -6.370 1.00104.00 N ATOM 280 CA ASN A 736 32.824 0.150 -7.315 1.00110.72 C ATOM 281 C ASN A 736 32.262 -1.087 -6.570 1.00117.03 C ATOM 282 O ASN A 736 31.162 -0.977 -6.034 1.00129.67 O ATOM 283 CB ASN A 736 34.061 -0.070 -8.196 1.00111.85 C ATOM 284 CG ASN A 736 33.703 -0.659 -9.542 1.00107.42 C ATOM 285 OD1 ASN A 736 33.329 -1.823 -9.619 1.00132.03 O ATOM 286 ND2 ASN A 736 33.778 0.148 -10.603 1.00 87.92 N ATOM 0 H ASN A 736 33.792 1.111 -5.889 1.00104.00 H new ATOM 0 HA ASN A 736 32.121 0.380 -7.943 1.00110.72 H new ATOM 0 HB2 ASN A 736 34.519 0.775 -8.326 1.00111.85 H new ATOM 0 HB3 ASN A 736 34.680 -0.661 -7.740 1.00111.85 H new ATOM 0 HD21 ASN A 736 33.559 -0.144 -11.382 1.00 87.92 H new ATOM 0 HD22 ASN A 736 34.046 0.960 -10.508 1.00 87.92 H new ATOM 287 N LYS A 737 32.972 -2.223 -6.517 1.00116.58 N ATOM 288 CA LYS A 737 32.535 -3.426 -5.781 1.00109.01 C ATOM 289 C LYS A 737 31.202 -3.986 -6.307 1.00105.53 C ATOM 290 O LYS A 737 30.138 -3.581 -5.858 1.00105.03 O ATOM 291 CB LYS A 737 32.473 -3.159 -4.253 1.00 96.53 C ATOM 0 H LYS A 737 33.730 -2.319 -6.912 1.00116.58 H new ATOM 0 HA LYS A 737 33.205 -4.110 -5.939 1.00109.01 H new ATOM 292 N ASN A 738 31.261 -4.895 -7.278 1.00 97.90 N ATOM 293 CA ASN A 738 30.068 -5.658 -7.695 1.00 96.68 C ATOM 294 C ASN A 738 30.375 -7.143 -7.545 1.00 98.46 C ATOM 295 O ASN A 738 31.397 -7.579 -8.048 1.00118.22 O ATOM 296 CB ASN A 738 29.700 -5.361 -9.134 1.00 99.38 C ATOM 297 CG ASN A 738 29.772 -3.883 -9.452 1.00104.23 C ATOM 298 OD1 ASN A 738 30.759 -3.205 -9.137 1.00 96.44 O ATOM 299 ND2 ASN A 738 28.729 -3.372 -10.084 1.00110.16 N ATOM 0 H ASN A 738 31.978 -5.090 -7.712 1.00 97.90 H new ATOM 0 HA ASN A 738 29.317 -5.402 -7.137 1.00 96.68 H new ATOM 0 HB2 ASN A 738 30.297 -5.846 -9.725 1.00 99.38 H new ATOM 0 HB3 ASN A 738 28.802 -5.684 -9.309 1.00 99.38 H new ATOM 0 HD21 ASN A 738 28.719 -2.538 -10.292 1.00110.16 H new ATOM 0 HD22 ASN A 738 28.061 -3.874 -10.287 1.00110.16 H new ATOM 300 N PRO A 739 29.573 -7.920 -6.820 1.00 86.21 N ATOM 301 CA PRO A 739 28.473 -7.435 -6.008 1.00 83.80 C ATOM 302 C PRO A 739 28.926 -6.602 -4.778 1.00 73.60 C ATOM 303 O PRO A 739 30.089 -6.679 -4.340 1.00 68.19 O ATOM 304 CB PRO A 739 27.813 -8.739 -5.550 1.00 89.01 C ATOM 305 CG PRO A 739 28.958 -9.710 -5.433 1.00 87.23 C ATOM 306 CD PRO A 739 30.066 -9.225 -6.334 1.00 81.39 C ATOM 0 HA PRO A 739 27.897 -6.831 -6.502 1.00 83.80 H new ATOM 0 HB2 PRO A 739 27.356 -8.626 -4.702 1.00 89.01 H new ATOM 0 HB3 PRO A 739 27.152 -9.046 -6.190 1.00 89.01 H new ATOM 0 HG2 PRO A 739 29.266 -9.764 -4.515 1.00 87.23 H new ATOM 0 HG3 PRO A 739 28.676 -10.602 -5.691 1.00 87.23 H new ATOM 0 HD2 PRO A 739 30.903 -9.133 -5.852 1.00 81.39 H new ATOM 0 HD3 PRO A 739 30.226 -9.841 -7.066 1.00 81.39 H new ATOM 307 N TRP A 740 27.993 -5.808 -4.255 1.00 60.44 N ATOM 308 CA TRP A 740 28.181 -5.033 -3.010 1.00 51.89 C ATOM 309 C TRP A 740 27.319 -5.617 -1.897 1.00 43.93 C ATOM 310 O TRP A 740 26.150 -5.925 -2.089 1.00 44.25 O ATOM 311 CB TRP A 740 27.864 -3.569 -3.256 1.00 52.34 C ATOM 312 CG TRP A 740 28.064 -2.710 -2.035 1.00 54.01 C ATOM 313 CD1 TRP A 740 29.242 -2.368 -1.449 1.00 50.31 C ATOM 314 CD2 TRP A 740 27.037 -2.133 -1.250 1.00 41.49 C ATOM 315 NE1 TRP A 740 29.011 -1.578 -0.347 1.00 45.90 N ATOM 316 CE2 TRP A 740 27.665 -1.414 -0.202 1.00 43.08 C ATOM 317 CE3 TRP A 740 25.645 -2.123 -1.344 1.00 41.56 C ATOM 318 CZ2 TRP A 740 26.956 -0.715 0.749 1.00 38.91 C ATOM 319 CZ3 TRP A 740 24.915 -1.396 -0.397 1.00 43.55 C ATOM 320 CH2 TRP A 740 25.573 -0.685 0.624 1.00 41.97 C ATOM 0 H TRP A 740 27.219 -5.698 -4.613 1.00 60.44 H new ATOM 0 HA TRP A 740 29.107 -5.092 -2.729 1.00 51.89 H new ATOM 0 HB2 TRP A 740 28.426 -3.238 -3.974 1.00 52.34 H new ATOM 0 HB3 TRP A 740 26.945 -3.488 -3.555 1.00 52.34 H new ATOM 0 HD1 TRP A 740 30.082 -2.630 -1.750 1.00 50.31 H new ATOM 0 HE1 TRP A 740 29.615 -1.243 0.165 1.00 45.90 H new ATOM 0 HE3 TRP A 740 25.211 -2.590 -2.022 1.00 41.56 H new ATOM 0 HZ2 TRP A 740 27.387 -0.279 1.449 1.00 38.91 H new ATOM 0 HZ3 TRP A 740 23.986 -1.383 -0.443 1.00 43.55 H new ATOM 0 HH2 TRP A 740 25.072 -0.185 1.227 1.00 41.97 H new ATOM 321 N SER A 741 27.909 -5.869 -0.739 1.00 43.40 N ATOM 322 CA SER A 741 27.141 -6.347 0.417 1.00 38.10 C ATOM 323 C SER A 741 27.177 -5.189 1.504 1.00 32.21 C ATOM 324 O SER A 741 28.188 -4.607 1.775 1.00 28.56 O ATOM 325 CB SER A 741 27.737 -7.669 0.913 1.00 43.34 C ATOM 326 OG SER A 741 27.063 -8.793 0.366 1.00 46.45 O ATOM 0 H SER A 741 28.751 -5.772 -0.595 1.00 43.40 H new ATOM 0 HA SER A 741 26.215 -6.537 0.199 1.00 38.10 H new ATOM 0 HB2 SER A 741 28.677 -7.709 0.675 1.00 43.34 H new ATOM 0 HB3 SER A 741 27.687 -7.702 1.881 1.00 43.34 H new ATOM 0 HG SER A 741 26.234 -8.697 0.462 1.00 46.45 H new ATOM 327 N CYS A 742 26.034 -4.852 2.032 1.00 31.72 N ATOM 328 CA CYS A 742 25.906 -3.858 3.099 1.00 32.47 C ATOM 329 C CYS A 742 26.391 -4.414 4.466 1.00 28.80 C ATOM 330 O CYS A 742 26.555 -5.639 4.706 1.00 25.45 O ATOM 331 CB CYS A 742 24.385 -3.415 3.210 1.00 26.67 C ATOM 332 SG CYS A 742 23.272 -4.434 4.131 1.00 30.87 S ATOM 0 H CYS A 742 25.284 -5.193 1.786 1.00 31.72 H new ATOM 0 HA CYS A 742 26.466 -3.098 2.877 1.00 32.47 H new ATOM 0 HB2 CYS A 742 24.364 -2.528 3.601 1.00 26.67 H new ATOM 0 HB3 CYS A 742 24.035 -3.336 2.309 1.00 26.67 H new ATOM 333 N ILE A 743 26.477 -3.481 5.395 1.00 30.09 N ATOM 334 CA ILE A 743 26.926 -3.715 6.764 1.00 26.06 C ATOM 335 C ILE A 743 26.103 -4.727 7.499 1.00 27.12 C ATOM 336 O ILE A 743 26.652 -5.550 8.217 1.00 26.10 O ATOM 337 CB ILE A 743 27.105 -2.409 7.538 1.00 26.11 C ATOM 338 CG1 ILE A 743 27.888 -2.750 8.823 1.00 24.77 C ATOM 339 CG2 ILE A 743 25.776 -1.688 7.707 1.00 21.59 C ATOM 340 CD1 ILE A 743 28.502 -1.561 9.454 1.00 30.39 C ATOM 0 H ILE A 743 26.269 -2.660 5.245 1.00 30.09 H new ATOM 0 HA ILE A 743 27.806 -4.118 6.693 1.00 26.06 H new ATOM 0 HB ILE A 743 27.633 -1.751 7.059 1.00 26.11 H new ATOM 0 HG12 ILE A 743 27.290 -3.175 9.458 1.00 24.77 H new ATOM 0 HG13 ILE A 743 28.582 -3.394 8.612 1.00 24.77 H new ATOM 0 HG21 ILE A 743 25.915 -0.864 8.200 1.00 21.59 H new ATOM 0 HG22 ILE A 743 25.405 -1.483 6.834 1.00 21.59 H new ATOM 0 HG23 ILE A 743 25.159 -2.256 8.195 1.00 21.59 H new ATOM 0 HD11 ILE A 743 28.980 -1.830 10.254 1.00 30.39 H new ATOM 0 HD12 ILE A 743 29.121 -1.147 8.832 1.00 30.39 H new ATOM 0 HD13 ILE A 743 27.808 -0.925 9.690 1.00 30.39 H new ATOM 341 N PHE A 744 24.801 -4.783 7.224 1.00 29.53 N ATOM 342 CA PHE A 744 23.975 -5.779 7.852 1.00 28.26 C ATOM 343 C PHE A 744 24.376 -7.187 7.380 1.00 29.97 C ATOM 344 O PHE A 744 24.433 -8.137 8.179 1.00 26.10 O ATOM 345 CB PHE A 744 22.457 -5.566 7.522 1.00 31.62 C ATOM 346 CG PHE A 744 21.820 -4.374 8.177 1.00 25.58 C ATOM 347 CD1 PHE A 744 21.944 -3.137 7.638 1.00 28.06 C ATOM 348 CD2 PHE A 744 21.060 -4.539 9.316 1.00 25.04 C ATOM 349 CE1 PHE A 744 21.336 -2.035 8.241 1.00 27.98 C ATOM 350 CE2 PHE A 744 20.454 -3.456 9.923 1.00 30.25 C ATOM 351 CZ PHE A 744 20.600 -2.196 9.376 1.00 24.85 C ATOM 0 H PHE A 744 24.391 -4.256 6.682 1.00 29.53 H new ATOM 0 HA PHE A 744 24.109 -5.692 8.809 1.00 28.26 H new ATOM 0 HB2 PHE A 744 22.359 -5.479 6.561 1.00 31.62 H new ATOM 0 HB3 PHE A 744 21.969 -6.361 7.786 1.00 31.62 H new ATOM 0 HD1 PHE A 744 22.439 -3.021 6.859 1.00 28.06 H new ATOM 0 HD2 PHE A 744 20.954 -5.389 9.679 1.00 25.04 H new ATOM 0 HE1 PHE A 744 21.433 -1.189 7.867 1.00 27.98 H new ATOM 0 HE2 PHE A 744 19.950 -3.575 10.696 1.00 30.25 H new ATOM 0 HZ PHE A 744 20.198 -1.461 9.780 1.00 24.85 H new ATOM 352 N CYS A 745 24.571 -7.328 6.069 1.00 33.60 N ATOM 353 CA CYS A 745 25.060 -8.613 5.497 1.00 34.66 C ATOM 354 C CYS A 745 26.447 -8.973 6.003 1.00 32.38 C ATOM 355 O CYS A 745 26.713 -10.141 6.280 1.00 29.56 O ATOM 356 CB CYS A 745 25.050 -8.576 3.950 1.00 32.27 C ATOM 357 SG CYS A 745 23.325 -8.509 3.340 1.00 39.21 S ATOM 0 H CYS A 745 24.432 -6.708 5.490 1.00 33.60 H new ATOM 0 HA CYS A 745 24.447 -9.302 5.797 1.00 34.66 H new ATOM 0 HB2 CYS A 745 25.544 -7.803 3.634 1.00 32.27 H new ATOM 0 HB3 CYS A 745 25.496 -9.362 3.597 1.00 32.27 H new ATOM 358 N ARG A 746 27.332 -7.987 6.096 1.00 25.97 N ATOM 359 CA ARG A 746 28.693 -8.292 6.547 1.00 29.58 C ATOM 360 C ARG A 746 28.714 -8.736 7.993 1.00 29.27 C ATOM 361 O ARG A 746 29.479 -9.649 8.334 1.00 29.07 O ATOM 362 CB ARG A 746 29.630 -7.162 6.335 1.00 30.14 C ATOM 363 CG ARG A 746 29.813 -6.927 4.870 1.00 32.66 C ATOM 364 CD ARG A 746 30.416 -5.582 4.607 1.00 39.11 C ATOM 365 NE ARG A 746 31.795 -5.574 5.086 1.00 51.10 N ATOM 366 CZ ARG A 746 32.546 -4.479 5.241 1.00 57.66 C ATOM 367 NH1 ARG A 746 32.052 -3.261 4.933 1.00 60.29 N ATOM 368 NH2 ARG A 746 33.801 -4.606 5.700 1.00 51.60 N ATOM 0 H ARG A 746 27.177 -7.161 5.911 1.00 25.97 H new ATOM 0 HA ARG A 746 29.001 -9.029 5.997 1.00 29.58 H new ATOM 0 HB2 ARG A 746 29.285 -6.361 6.759 1.00 30.14 H new ATOM 0 HB3 ARG A 746 30.485 -7.357 6.749 1.00 30.14 H new ATOM 0 HG2 ARG A 746 30.383 -7.618 4.498 1.00 32.66 H new ATOM 0 HG3 ARG A 746 28.956 -6.994 4.420 1.00 32.66 H new ATOM 0 HD2 ARG A 746 30.390 -5.384 3.658 1.00 39.11 H new ATOM 0 HD3 ARG A 746 29.902 -4.892 5.055 1.00 39.11 H new ATOM 0 HE ARG A 746 32.151 -6.331 5.283 1.00 51.10 H new ATOM 0 HH11 ARG A 746 31.249 -3.186 4.635 1.00 60.29 H new ATOM 0 HH12 ARG A 746 32.540 -2.561 5.035 1.00 60.29 H new ATOM 0 HH21 ARG A 746 34.113 -5.385 5.890 1.00 51.60 H new ATOM 0 HH22 ARG A 746 34.294 -3.909 5.804 1.00 51.60 H new ATOM 369 N ILE A 747 27.824 -8.180 8.811 1.00 26.96 N ATOM 370 CA ILE A 747 27.773 -8.522 10.260 1.00 27.15 C ATOM 371 C ILE A 747 27.203 -9.957 10.371 1.00 28.75 C ATOM 372 O ILE A 747 27.666 -10.786 11.146 1.00 26.71 O ATOM 373 CB ILE A 747 26.936 -7.512 11.058 1.00 25.74 C ATOM 374 CG1 ILE A 747 27.671 -6.185 11.216 1.00 26.43 C ATOM 375 CG2 ILE A 747 26.533 -8.088 12.382 1.00 32.81 C ATOM 376 CD1 ILE A 747 28.830 -6.148 12.183 1.00 29.11 C ATOM 0 H ILE A 747 27.237 -7.603 8.561 1.00 26.96 H new ATOM 0 HA ILE A 747 28.662 -8.482 10.646 1.00 27.15 H new ATOM 0 HB ILE A 747 26.125 -7.328 10.558 1.00 25.74 H new ATOM 0 HG12 ILE A 747 27.999 -5.918 10.343 1.00 26.43 H new ATOM 0 HG13 ILE A 747 27.026 -5.516 11.494 1.00 26.43 H new ATOM 0 HG21 ILE A 747 26.006 -7.437 12.871 1.00 32.81 H new ATOM 0 HG22 ILE A 747 26.005 -8.889 12.239 1.00 32.81 H new ATOM 0 HG23 ILE A 747 27.327 -8.311 12.893 1.00 32.81 H new ATOM 0 HD11 ILE A 747 29.213 -5.257 12.196 1.00 29.11 H new ATOM 0 HD12 ILE A 747 28.517 -6.378 13.072 1.00 29.11 H new ATOM 0 HD13 ILE A 747 29.505 -6.786 11.904 1.00 29.11 H new ATOM 377 N LYS A 748 26.209 -10.242 9.565 1.00 31.66 N ATOM 378 CA LYS A 748 25.609 -11.587 9.558 1.00 35.36 C ATOM 379 C LYS A 748 26.649 -12.655 9.140 1.00 33.04 C ATOM 380 O LYS A 748 26.752 -13.672 9.790 1.00 34.81 O ATOM 381 CB LYS A 748 24.365 -11.594 8.662 1.00 38.18 C ATOM 382 CG LYS A 748 23.584 -12.901 8.691 1.00 47.15 C ATOM 383 CD LYS A 748 22.835 -13.189 7.385 1.00 59.78 C ATOM 384 CE LYS A 748 21.739 -12.173 7.076 1.00 69.84 C ATOM 385 NZ LYS A 748 20.727 -12.021 8.162 1.00 83.71 N ATOM 0 H LYS A 748 25.857 -9.686 9.011 1.00 31.66 H new ATOM 0 HA LYS A 748 25.326 -11.818 10.456 1.00 35.36 H new ATOM 0 HB2 LYS A 748 23.778 -10.872 8.935 1.00 38.18 H new ATOM 0 HB3 LYS A 748 24.635 -11.410 7.749 1.00 38.18 H new ATOM 0 HG2 LYS A 748 24.195 -13.632 8.874 1.00 47.15 H new ATOM 0 HG3 LYS A 748 22.947 -12.874 9.422 1.00 47.15 H new ATOM 0 HD2 LYS A 748 23.470 -13.202 6.652 1.00 59.78 H new ATOM 0 HD3 LYS A 748 22.441 -14.074 7.435 1.00 59.78 H new ATOM 0 HE2 LYS A 748 22.149 -11.311 6.906 1.00 69.84 H new ATOM 0 HE3 LYS A 748 21.286 -12.438 6.260 1.00 69.84 H new ATOM 0 HZ1 LYS A 748 20.066 -11.495 7.881 1.00 83.71 H new ATOM 0 HZ2 LYS A 748 20.399 -12.820 8.377 1.00 83.71 H new ATOM 0 HZ3 LYS A 748 21.111 -11.657 8.877 1.00 83.71 H new ATOM 386 N THR A 749 27.473 -12.380 8.137 1.00 32.72 N ATOM 387 CA THR A 749 28.523 -13.303 7.749 1.00 34.37 C ATOM 388 C THR A 749 29.523 -13.615 8.884 1.00 43.84 C ATOM 389 O THR A 749 29.960 -14.776 9.014 1.00 37.10 O ATOM 390 CB THR A 749 29.262 -12.716 6.545 1.00 38.99 C ATOM 391 OG1 THR A 749 28.330 -12.655 5.472 1.00 45.88 O ATOM 392 CG2 THR A 749 30.460 -13.549 6.119 1.00 43.16 C ATOM 0 H THR A 749 27.438 -11.660 7.668 1.00 32.72 H new ATOM 0 HA THR A 749 28.103 -14.148 7.527 1.00 34.37 H new ATOM 0 HB THR A 749 29.606 -11.842 6.788 1.00 38.99 H new ATOM 0 HG1 THR A 749 27.820 -11.996 5.581 1.00 45.88 H new ATOM 0 HG21 THR A 749 30.889 -13.132 5.355 1.00 43.16 H new ATOM 0 HG22 THR A 749 31.092 -13.606 6.853 1.00 43.16 H new ATOM 0 HG23 THR A 749 30.165 -14.441 5.877 1.00 43.16 H new ATOM 393 N ILE A 750 29.916 -12.594 9.667 1.00 42.51 N ATOM 394 CA ILE A 750 30.804 -12.773 10.837 1.00 44.34 C ATOM 395 C ILE A 750 30.223 -13.806 11.775 1.00 47.57 C ATOM 396 O ILE A 750 30.938 -14.739 12.154 1.00 46.77 O ATOM 397 CB ILE A 750 31.048 -11.528 11.721 1.00 47.73 C ATOM 398 CG1 ILE A 750 31.664 -10.356 10.976 1.00 50.41 C ATOM 399 CG2 ILE A 750 31.966 -11.865 12.893 1.00 51.81 C ATOM 400 CD1 ILE A 750 32.815 -10.709 10.087 1.00 56.19 C ATOM 0 H ILE A 750 29.676 -11.779 9.535 1.00 42.51 H new ATOM 0 HA ILE A 750 31.648 -13.021 10.427 1.00 44.34 H new ATOM 0 HB ILE A 750 30.166 -11.264 12.027 1.00 47.73 H new ATOM 0 HG12 ILE A 750 30.976 -9.933 10.439 1.00 50.41 H new ATOM 0 HG13 ILE A 750 31.962 -9.699 11.624 1.00 50.41 H new ATOM 0 HG21 ILE A 750 32.106 -11.072 13.433 1.00 51.81 H new ATOM 0 HG22 ILE A 750 31.557 -12.558 13.436 1.00 51.81 H new ATOM 0 HG23 ILE A 750 32.819 -12.180 12.556 1.00 51.81 H new ATOM 0 HD11 ILE A 750 33.146 -9.907 9.652 1.00 56.19 H new ATOM 0 HD12 ILE A 750 33.524 -11.105 10.617 1.00 56.19 H new ATOM 0 HD13 ILE A 750 32.522 -11.343 9.414 1.00 56.19 H new ATOM 401 N GLN A 751 28.949 -13.669 12.136 1.00 49.39 N ATOM 402 CA GLN A 751 28.304 -14.652 13.026 1.00 53.69 C ATOM 403 C GLN A 751 28.210 -16.070 12.446 1.00 50.19 C ATOM 404 O GLN A 751 28.335 -17.045 13.182 1.00 61.60 O ATOM 405 CB GLN A 751 26.878 -14.267 13.342 1.00 57.41 C ATOM 406 CG GLN A 751 26.683 -13.010 14.143 1.00 65.26 C ATOM 407 CD GLN A 751 25.225 -12.615 14.123 1.00 70.10 C ATOM 408 OE1 GLN A 751 24.352 -13.435 13.786 1.00 68.34 O ATOM 409 NE2 GLN A 751 24.949 -11.362 14.448 1.00 68.73 N ATOM 0 H GLN A 751 28.440 -13.024 11.883 1.00 49.39 H new ATOM 0 HA GLN A 751 28.879 -14.650 13.807 1.00 53.69 H new ATOM 0 HB2 GLN A 751 26.397 -14.171 12.505 1.00 57.41 H new ATOM 0 HB3 GLN A 751 26.465 -15.001 13.824 1.00 57.41 H new ATOM 0 HG2 GLN A 751 26.977 -13.149 15.057 1.00 65.26 H new ATOM 0 HG3 GLN A 751 27.226 -12.295 13.776 1.00 65.26 H new ATOM 0 HE21 GLN A 751 25.583 -10.827 14.675 1.00 68.73 H new ATOM 0 HE22 GLN A 751 24.136 -11.083 14.432 1.00 68.73 H new ATOM 410 N GLU A 752 27.911 -16.163 11.153 1.00 47.73 N ATOM 411 CA GLU A 752 27.817 -17.442 10.452 1.00 46.78 C ATOM 412 C GLU A 752 29.166 -18.155 10.358 1.00 42.80 C ATOM 413 O GLU A 752 29.271 -19.367 10.570 1.00 47.78 O ATOM 414 CB GLU A 752 27.205 -17.250 9.067 1.00 49.66 C ATOM 415 CG GLU A 752 25.713 -16.964 9.145 1.00 57.72 C ATOM 416 CD GLU A 752 25.104 -16.570 7.809 1.00 67.37 C ATOM 417 OE1 GLU A 752 25.831 -16.550 6.778 1.00 70.28 O ATOM 418 OE2 GLU A 752 23.878 -16.280 7.809 1.00 78.79 O ATOM 0 H GLU A 752 27.756 -15.480 10.653 1.00 47.73 H new ATOM 0 HA GLU A 752 27.233 -18.014 10.975 1.00 46.78 H new ATOM 0 HB2 GLU A 752 27.652 -16.518 8.614 1.00 49.66 H new ATOM 0 HB3 GLU A 752 27.355 -18.046 8.534 1.00 49.66 H new ATOM 0 HG2 GLU A 752 25.257 -17.751 9.482 1.00 57.72 H new ATOM 0 HG3 GLU A 752 25.560 -16.252 9.785 1.00 57.72 H new ATOM 419 N ARG A 753 30.216 -17.404 10.090 1.00 45.51 N ATOM 420 CA ARG A 753 31.552 -17.977 10.126 1.00 47.17 C ATOM 421 C ARG A 753 32.019 -18.447 11.506 1.00 51.84 C ATOM 422 O ARG A 753 32.884 -19.318 11.522 1.00 56.53 O ATOM 423 CB ARG A 753 32.596 -17.051 9.514 1.00 50.56 C ATOM 424 CG ARG A 753 32.440 -16.937 8.000 1.00 60.65 C ATOM 425 CD ARG A 753 33.567 -16.138 7.325 1.00 62.20 C ATOM 426 NE ARG A 753 33.556 -16.425 5.888 1.00 64.82 N ATOM 427 CZ ARG A 753 33.831 -15.559 4.920 1.00 68.16 C ATOM 428 NH1 ARG A 753 34.186 -14.299 5.182 1.00 65.87 N ATOM 429 NH2 ARG A 753 33.751 -15.968 3.659 1.00 75.36 N ATOM 0 H ARG A 753 30.182 -16.569 9.887 1.00 45.51 H new ATOM 0 HA ARG A 753 31.470 -18.775 9.580 1.00 47.17 H new ATOM 0 HB2 ARG A 753 32.520 -16.170 9.914 1.00 50.56 H new ATOM 0 HB3 ARG A 753 33.483 -17.382 9.723 1.00 50.56 H new ATOM 0 HG2 ARG A 753 32.411 -17.828 7.617 1.00 60.65 H new ATOM 0 HG3 ARG A 753 31.590 -16.515 7.801 1.00 60.65 H new ATOM 0 HD2 ARG A 753 33.443 -15.188 7.479 1.00 62.20 H new ATOM 0 HD3 ARG A 753 34.425 -16.378 7.709 1.00 62.20 H new ATOM 0 HE ARG A 753 33.353 -17.226 5.650 1.00 64.82 H new ATOM 0 HH11 ARG A 753 34.242 -14.028 5.996 1.00 65.87 H new ATOM 0 HH12 ARG A 753 34.359 -13.758 4.536 1.00 65.87 H new ATOM 0 HH21 ARG A 753 33.525 -16.779 3.484 1.00 75.36 H new ATOM 0 HH22 ARG A 753 33.925 -15.422 3.018 1.00 75.36 H new ATOM 430 N CYS A 754 31.478 -17.902 12.621 1.00 42.26 N ATOM 431 CA ACYS A 754 31.936 -18.257 13.979 0.55 46.19 C ATOM 432 CA BCYS A 754 31.962 -18.213 13.984 0.45 40.86 C ATOM 433 C CYS A 754 30.762 -18.178 14.934 1.00 40.51 C ATOM 434 O CYS A 754 30.617 -17.209 15.690 1.00 39.61 O ATOM 435 CB ACYS A 754 33.069 -17.351 14.434 0.55 50.27 C ATOM 436 CB BCYS A 754 33.040 -17.180 14.381 0.45 39.16 C ATOM 437 SG ACYS A 754 34.605 -17.639 13.530 0.55 71.15 S ATOM 438 SG BCYS A 754 33.922 -17.329 15.971 0.45 37.71 S ATOM 0 H ACYS A 754 30.842 -17.323 12.606 0.55 42.26 H new ATOM 0 H BCYS A 754 30.823 -17.345 12.604 0.45 42.26 H new ATOM 0 HA ACYS A 754 32.282 -19.163 13.969 0.55 40.86 H new ATOM 0 HA BCYS A 754 32.366 -19.094 14.027 0.45 40.86 H new ATOM 0 HB2ACYS A 754 32.802 -16.425 14.322 0.55 39.16 H new ATOM 0 HB2BCYS A 754 33.711 -17.182 13.680 0.45 39.16 H new ATOM 0 HB3ACYS A 754 33.226 -17.488 15.381 0.55 39.16 H new ATOM 0 HB3BCYS A 754 32.618 -16.306 14.368 0.45 39.16 H new ATOM 0 HG ACYS A 754 34.414 -18.446 12.663 0.55 37.71 H new ATOM 0 HG BCYS A 754 34.711 -16.431 16.077 0.45 37.71 H new ATOM 439 N PRO A 755 29.884 -19.222 14.892 1.00 40.60 N ATOM 440 CA PRO A 755 28.648 -19.224 15.706 1.00 40.39 C ATOM 441 C PRO A 755 28.834 -18.971 17.200 1.00 39.60 C ATOM 442 O PRO A 755 27.934 -18.327 17.824 1.00 35.50 O ATOM 443 CB PRO A 755 28.024 -20.619 15.464 1.00 45.75 C ATOM 444 CG PRO A 755 28.726 -21.162 14.238 1.00 44.30 C ATOM 445 CD PRO A 755 30.037 -20.466 14.085 1.00 42.93 C ATOM 0 HA PRO A 755 28.088 -18.481 15.431 1.00 40.39 H new ATOM 0 HB2 PRO A 755 28.157 -21.200 16.230 1.00 45.75 H new ATOM 0 HB3 PRO A 755 27.067 -20.554 15.320 1.00 45.75 H new ATOM 0 HG2 PRO A 755 28.862 -22.118 14.325 1.00 44.30 H new ATOM 0 HG3 PRO A 755 28.179 -21.024 13.449 1.00 44.30 H new ATOM 0 HD2 PRO A 755 30.769 -21.013 14.411 1.00 42.93 H new ATOM 0 HD3 PRO A 755 30.225 -20.265 13.155 1.00 42.93 H new ATOM 446 N GLU A 756 29.988 -19.405 17.730 1.00 37.28 N ATOM 447 CA GLU A 756 30.350 -19.240 19.132 1.00 41.47 C ATOM 448 C GLU A 756 30.607 -17.788 19.554 1.00 41.23 C ATOM 449 O GLU A 756 30.620 -17.495 20.750 1.00 32.97 O ATOM 450 CB GLU A 756 31.568 -20.109 19.489 1.00 45.50 C ATOM 451 CG GLU A 756 32.907 -19.672 18.917 1.00 58.75 C ATOM 452 CD GLU A 756 33.167 -20.123 17.453 1.00 67.93 C ATOM 453 OE1 GLU A 756 32.207 -20.362 16.688 1.00 71.85 O ATOM 454 OE2 GLU A 756 34.347 -20.218 17.035 1.00 77.96 O ATOM 0 H GLU A 756 30.589 -19.811 17.268 1.00 37.28 H new ATOM 0 HA GLU A 756 29.571 -19.534 19.630 1.00 41.47 H new ATOM 0 HB2 GLU A 756 31.646 -20.139 20.455 1.00 45.50 H new ATOM 0 HB3 GLU A 756 31.392 -21.015 19.191 1.00 45.50 H new ATOM 0 HG2 GLU A 756 32.962 -18.704 18.959 1.00 58.75 H new ATOM 0 HG3 GLU A 756 33.615 -20.021 19.481 1.00 58.75 H new ATOM 455 N SER A 757 30.840 -16.903 18.563 1.00 36.99 N ATOM 456 CA SER A 757 30.890 -15.430 18.769 1.00 35.63 C ATOM 457 C SER A 757 29.581 -14.895 19.375 1.00 34.87 C ATOM 458 O SER A 757 29.577 -13.841 19.932 1.00 35.25 O ATOM 459 CB SER A 757 31.184 -14.722 17.407 1.00 38.25 C ATOM 460 OG SER A 757 29.998 -14.714 16.562 1.00 38.86 O ATOM 0 H SER A 757 30.974 -17.139 17.747 1.00 36.99 H new ATOM 0 HA SER A 757 31.602 -15.237 19.399 1.00 35.63 H new ATOM 0 HB2 SER A 757 31.478 -13.812 17.568 1.00 38.25 H new ATOM 0 HB3 SER A 757 31.908 -15.178 16.951 1.00 38.25 H new ATOM 0 HG SER A 757 29.941 -15.445 16.153 1.00 38.86 H new ATOM 461 N GLN A 758 28.473 -15.639 19.268 1.00 31.64 N ATOM 462 CA GLN A 758 27.251 -15.283 19.942 1.00 38.85 C ATOM 463 C GLN A 758 27.106 -15.722 21.395 1.00 33.30 C ATOM 464 O GLN A 758 26.135 -15.316 22.034 1.00 28.54 O ATOM 465 CB GLN A 758 26.022 -15.766 19.149 1.00 44.63 C ATOM 466 CG GLN A 758 25.883 -15.164 17.748 1.00 51.49 C ATOM 467 CD GLN A 758 25.044 -16.104 16.906 1.00 67.41 C ATOM 468 OE1 GLN A 758 25.568 -17.106 16.360 1.00 76.18 O ATOM 469 NE2 GLN A 758 23.731 -15.870 16.879 1.00 69.66 N ATOM 0 H GLN A 758 28.423 -16.359 18.801 1.00 31.64 H new ATOM 0 HA GLN A 758 27.302 -14.315 19.976 1.00 38.85 H new ATOM 0 HB2 GLN A 758 26.064 -16.732 19.069 1.00 44.63 H new ATOM 0 HB3 GLN A 758 25.223 -15.557 19.657 1.00 44.63 H new ATOM 0 HG2 GLN A 758 25.465 -14.290 17.796 1.00 51.49 H new ATOM 0 HG3 GLN A 758 26.757 -15.039 17.346 1.00 51.49 H new ATOM 0 HE21 GLN A 758 23.411 -15.172 17.265 1.00 69.66 H new ATOM 0 HE22 GLN A 758 23.205 -16.418 16.475 1.00 69.66 H new ATOM 470 N SER A 759 28.024 -16.549 21.909 1.00 31.08 N ATOM 471 CA SER A 759 28.006 -16.883 23.332 1.00 31.13 C ATOM 472 C SER A 759 28.260 -15.595 24.124 1.00 33.27 C ATOM 473 O SER A 759 28.920 -14.676 23.608 1.00 31.91 O ATOM 474 CB SER A 759 29.025 -18.012 23.670 1.00 30.09 C ATOM 475 OG SER A 759 28.666 -19.234 22.994 1.00 27.31 O ATOM 0 H SER A 759 28.654 -16.920 21.457 1.00 31.08 H new ATOM 0 HA SER A 759 27.140 -17.241 23.582 1.00 31.13 H new ATOM 0 HB2 SER A 759 29.918 -17.740 23.405 1.00 30.09 H new ATOM 0 HB3 SER A 759 29.046 -18.160 24.628 1.00 30.09 H new ATOM 0 HG SER A 759 29.200 -19.844 23.214 1.00 27.31 H new ATOM 476 N GLY A 760 27.765 -15.548 25.361 1.00 28.94 N ATOM 477 CA GLY A 760 27.827 -14.349 26.201 1.00 32.14 C ATOM 478 C GLY A 760 29.232 -13.875 26.518 1.00 32.39 C ATOM 479 O GLY A 760 30.139 -14.698 26.751 1.00 29.95 O ATOM 0 H GLY A 760 27.380 -16.217 25.740 1.00 28.94 H new ATOM 0 HA2 GLY A 760 27.348 -13.632 25.757 1.00 32.14 H new ATOM 0 HA3 GLY A 760 27.362 -14.527 27.034 1.00 32.14 H new ATOM 480 N HIS A 761 29.418 -12.543 26.547 1.00 28.53 N ATOM 481 CA HIS A 761 30.679 -11.938 26.888 1.00 27.64 C ATOM 482 C HIS A 761 30.494 -10.976 28.023 1.00 25.67 C ATOM 483 O HIS A 761 29.410 -10.472 28.256 1.00 25.81 O ATOM 484 CB HIS A 761 31.276 -11.185 25.696 1.00 27.06 C ATOM 485 CG HIS A 761 31.567 -12.040 24.517 1.00 30.43 C ATOM 486 ND1 HIS A 761 30.603 -12.404 23.613 1.00 33.03 N ATOM 487 CD2 HIS A 761 32.728 -12.560 24.060 1.00 35.63 C ATOM 488 CE1 HIS A 761 31.153 -13.131 22.657 1.00 39.25 C ATOM 489 NE2 HIS A 761 32.438 -13.259 22.920 1.00 38.27 N ATOM 0 H HIS A 761 28.798 -11.975 26.365 1.00 28.53 H new ATOM 0 HA HIS A 761 31.287 -12.649 27.146 1.00 27.64 H new ATOM 0 HB2 HIS A 761 30.662 -10.483 25.430 1.00 27.06 H new ATOM 0 HB3 HIS A 761 32.097 -10.752 25.979 1.00 27.06 H new ATOM 0 HD1 HIS A 761 29.771 -12.192 23.661 1.00 33.03 H new ATOM 0 HD2 HIS A 761 33.567 -12.461 24.448 1.00 35.63 H new ATOM 0 HE1 HIS A 761 30.709 -13.491 21.923 1.00 39.25 H new ATOM 490 N GLN A 762 31.591 -10.654 28.689 1.00 26.82 N ATOM 491 CA GLN A 762 31.585 -9.642 29.748 1.00 31.36 C ATOM 492 C GLN A 762 31.897 -8.305 29.091 1.00 25.05 C ATOM 493 O GLN A 762 32.814 -8.265 28.293 1.00 23.16 O ATOM 494 CB GLN A 762 32.681 -9.880 30.815 1.00 34.31 C ATOM 495 CG GLN A 762 32.474 -11.102 31.742 1.00 42.39 C ATOM 496 CD GLN A 762 31.149 -11.082 32.434 1.00 47.38 C ATOM 497 OE1 GLN A 762 30.242 -11.807 32.048 1.00 53.62 O ATOM 498 NE2 GLN A 762 31.003 -10.216 33.428 1.00 52.08 N ATOM 0 H GLN A 762 32.360 -11.011 28.545 1.00 26.82 H new ATOM 0 HA GLN A 762 30.720 -9.674 30.187 1.00 31.36 H new ATOM 0 HB2 GLN A 762 33.532 -9.982 30.361 1.00 34.31 H new ATOM 0 HB3 GLN A 762 32.747 -9.085 31.367 1.00 34.31 H new ATOM 0 HG2 GLN A 762 32.550 -11.916 31.220 1.00 42.39 H new ATOM 0 HG3 GLN A 762 33.181 -11.124 32.406 1.00 42.39 H new ATOM 0 HE21 GLN A 762 31.665 -9.724 33.670 1.00 52.08 H new ATOM 0 HE22 GLN A 762 30.246 -10.147 33.830 1.00 52.08 H new ATOM 499 N GLU A 763 31.187 -7.255 29.505 1.00 24.85 N ATOM 500 CA GLU A 763 31.403 -5.920 28.940 1.00 26.86 C ATOM 501 C GLU A 763 32.859 -5.473 29.103 1.00 27.10 C ATOM 502 O GLU A 763 33.483 -4.984 28.134 1.00 24.45 O ATOM 503 CB GLU A 763 30.433 -4.873 29.524 1.00 28.39 C ATOM 504 CG GLU A 763 30.786 -3.451 29.032 1.00 29.54 C ATOM 505 CD GLU A 763 29.831 -2.369 29.441 1.00 32.22 C ATOM 506 OE1 GLU A 763 28.622 -2.560 29.403 1.00 34.78 O ATOM 507 OE2 GLU A 763 30.291 -1.274 29.770 1.00 40.75 O ATOM 0 H GLU A 763 30.577 -7.293 30.110 1.00 24.85 H new ATOM 0 HA GLU A 763 31.213 -5.985 27.991 1.00 26.86 H new ATOM 0 HB2 GLU A 763 29.524 -5.091 29.266 1.00 28.39 H new ATOM 0 HB3 GLU A 763 30.468 -4.901 30.493 1.00 28.39 H new ATOM 0 HG2 GLU A 763 31.669 -3.222 29.361 1.00 29.54 H new ATOM 0 HG3 GLU A 763 30.839 -3.465 28.064 1.00 29.54 H new ATOM 508 N SER A 764 33.459 -5.742 30.289 1.00 27.72 N ATOM 509 CA SER A 764 34.853 -5.312 30.542 1.00 27.71 C ATOM 510 C SER A 764 35.833 -5.923 29.537 1.00 27.47 C ATOM 511 O SER A 764 36.723 -5.236 29.062 1.00 30.62 O ATOM 512 CB SER A 764 35.271 -5.611 32.012 1.00 32.10 C ATOM 513 OG SER A 764 35.040 -7.003 32.305 1.00 38.74 O ATOM 0 H SER A 764 33.085 -6.161 30.940 1.00 27.72 H new ATOM 0 HA SER A 764 34.889 -4.351 30.415 1.00 27.71 H new ATOM 0 HB2 SER A 764 36.207 -5.394 32.142 1.00 32.10 H new ATOM 0 HB3 SER A 764 34.763 -5.054 32.622 1.00 32.10 H new ATOM 0 HG SER A 764 34.226 -7.122 32.477 1.00 38.74 H new ATOM 514 N GLU A 765 35.674 -7.193 29.161 1.00 26.05 N ATOM 515 CA GLU A 765 36.533 -7.783 28.177 1.00 27.80 C ATOM 516 C GLU A 765 36.254 -7.173 26.785 1.00 23.39 C ATOM 517 O GLU A 765 37.169 -6.983 25.996 1.00 23.13 O ATOM 518 CB GLU A 765 36.330 -9.335 28.098 1.00 30.80 C ATOM 519 CG GLU A 765 37.082 -10.013 26.918 1.00 36.83 C ATOM 520 CD GLU A 765 36.317 -10.239 25.557 1.00 38.35 C ATOM 521 OE1 GLU A 765 35.064 -10.484 25.472 1.00 38.77 O ATOM 522 OE2 GLU A 765 37.016 -10.225 24.510 1.00 38.69 O ATOM 0 H GLU A 765 35.069 -7.719 29.473 1.00 26.05 H new ATOM 0 HA GLU A 765 37.447 -7.598 28.443 1.00 27.80 H new ATOM 0 HB2 GLU A 765 36.628 -9.733 28.931 1.00 30.80 H new ATOM 0 HB3 GLU A 765 35.382 -9.524 28.016 1.00 30.80 H new ATOM 0 HG2 GLU A 765 37.870 -9.480 26.727 1.00 36.83 H new ATOM 0 HG3 GLU A 765 37.393 -10.878 27.227 1.00 36.83 H new ATOM 523 N VAL A 766 34.994 -6.970 26.453 1.00 21.89 N ATOM 524 CA VAL A 766 34.663 -6.359 25.126 1.00 23.43 C ATOM 525 C VAL A 766 35.359 -5.027 24.950 1.00 21.23 C ATOM 526 O VAL A 766 35.913 -4.728 23.853 1.00 20.69 O ATOM 527 CB VAL A 766 33.132 -6.270 24.935 1.00 25.27 C ATOM 528 CG1 VAL A 766 32.740 -5.498 23.684 1.00 24.22 C ATOM 529 CG2 VAL A 766 32.555 -7.698 24.862 1.00 27.40 C ATOM 0 H VAL A 766 34.317 -7.164 26.947 1.00 21.89 H new ATOM 0 HA VAL A 766 35.000 -6.936 24.423 1.00 23.43 H new ATOM 0 HB VAL A 766 32.768 -5.786 25.693 1.00 25.27 H new ATOM 0 HG11 VAL A 766 31.773 -5.471 23.610 1.00 24.22 H new ATOM 0 HG12 VAL A 766 33.085 -4.593 23.740 1.00 24.22 H new ATOM 0 HG13 VAL A 766 33.111 -5.937 22.903 1.00 24.22 H new ATOM 0 HG21 VAL A 766 31.593 -7.653 24.742 1.00 27.40 H new ATOM 0 HG22 VAL A 766 32.952 -8.170 24.113 1.00 27.40 H new ATOM 0 HG23 VAL A 766 32.756 -8.171 25.685 1.00 27.40 H new ATOM 530 N LEU A 767 35.257 -4.188 25.975 1.00 22.39 N ATOM 531 CA LEU A 767 35.814 -2.839 25.900 1.00 23.13 C ATOM 532 C LEU A 767 37.310 -2.822 25.634 1.00 26.59 C ATOM 533 O LEU A 767 37.816 -1.887 25.013 1.00 21.65 O ATOM 534 CB LEU A 767 35.492 -2.025 27.143 1.00 23.53 C ATOM 535 CG LEU A 767 33.968 -1.722 27.329 1.00 26.69 C ATOM 536 CD1 LEU A 767 33.735 -0.851 28.569 1.00 31.21 C ATOM 537 CD2 LEU A 767 33.323 -1.092 26.131 1.00 26.59 C ATOM 0 H LEU A 767 34.871 -4.377 26.720 1.00 22.39 H new ATOM 0 HA LEU A 767 35.383 -2.425 25.136 1.00 23.13 H new ATOM 0 HB2 LEU A 767 35.815 -2.502 27.923 1.00 23.53 H new ATOM 0 HB3 LEU A 767 35.977 -1.186 27.103 1.00 23.53 H new ATOM 0 HG LEU A 767 33.542 -2.586 27.448 1.00 26.69 H new ATOM 0 HD11 LEU A 767 32.786 -0.674 28.667 1.00 31.21 H new ATOM 0 HD12 LEU A 767 34.060 -1.315 29.356 1.00 31.21 H new ATOM 0 HD13 LEU A 767 34.211 -0.012 28.469 1.00 31.21 H new ATOM 0 HD21 LEU A 767 32.384 -0.933 26.315 1.00 26.59 H new ATOM 0 HD22 LEU A 767 33.761 -0.249 25.933 1.00 26.59 H new ATOM 0 HD23 LEU A 767 33.406 -1.686 25.369 1.00 26.59 H new ATOM 538 N MET A 768 38.046 -3.809 26.173 1.00 26.52 N ATOM 539 CA MET A 768 39.495 -3.831 26.026 1.00 25.03 C ATOM 540 C MET A 768 39.953 -4.399 24.712 1.00 26.96 C ATOM 541 O MET A 768 41.157 -4.330 24.410 1.00 27.57 O ATOM 542 CB MET A 768 40.147 -4.619 27.165 1.00 31.98 C ATOM 543 CG MET A 768 40.062 -3.902 28.472 1.00 41.46 C ATOM 544 SD MET A 768 40.650 -2.157 28.477 1.00 63.12 S ATOM 545 CE MET A 768 42.320 -2.241 27.807 1.00 51.60 C ATOM 0 H MET A 768 37.720 -4.466 26.622 1.00 26.52 H new ATOM 0 HA MET A 768 39.774 -2.903 26.057 1.00 25.03 H new ATOM 0 HB2 MET A 768 39.716 -5.484 27.245 1.00 31.98 H new ATOM 0 HB3 MET A 768 41.078 -4.784 26.949 1.00 31.98 H new ATOM 0 HG2 MET A 768 39.138 -3.914 28.767 1.00 41.46 H new ATOM 0 HG3 MET A 768 40.576 -4.399 29.127 1.00 41.46 H new ATOM 0 HE1 MET A 768 42.643 -1.344 27.629 1.00 51.60 H new ATOM 0 HE2 MET A 768 42.905 -2.674 28.449 1.00 51.60 H new ATOM 0 HE3 MET A 768 42.313 -2.751 26.982 1.00 51.60 H new ATOM 546 N ARG A 769 39.048 -4.878 23.846 1.00 22.71 N ATOM 547 CA ARG A 769 39.500 -5.393 22.566 1.00 24.84 C ATOM 548 C ARG A 769 40.084 -4.317 21.674 1.00 29.87 C ATOM 549 O ARG A 769 39.527 -3.228 21.573 1.00 21.97 O ATOM 550 CB ARG A 769 38.355 -6.036 21.813 1.00 26.82 C ATOM 551 CG ARG A 769 37.779 -7.242 22.533 1.00 28.49 C ATOM 552 CD ARG A 769 36.672 -7.774 21.683 1.00 31.18 C ATOM 553 NE ARG A 769 35.944 -8.795 22.377 1.00 32.56 N ATOM 554 CZ ARG A 769 34.783 -9.274 21.975 1.00 33.67 C ATOM 555 NH1 ARG A 769 34.146 -8.769 20.910 1.00 35.35 N ATOM 556 NH2 ARG A 769 34.225 -10.204 22.689 1.00 34.00 N ATOM 0 H ARG A 769 38.199 -4.910 23.981 1.00 22.71 H new ATOM 0 HA ARG A 769 40.191 -6.041 22.773 1.00 24.84 H new ATOM 0 HB2 ARG A 769 37.653 -5.380 21.678 1.00 26.82 H new ATOM 0 HB3 ARG A 769 38.663 -6.306 20.934 1.00 26.82 H new ATOM 0 HG2 ARG A 769 38.461 -7.918 22.670 1.00 28.49 H new ATOM 0 HG3 ARG A 769 37.448 -6.992 23.410 1.00 28.49 H new ATOM 0 HD2 ARG A 769 36.072 -7.053 21.438 1.00 31.18 H new ATOM 0 HD3 ARG A 769 37.035 -8.133 20.859 1.00 31.18 H new ATOM 0 HE ARG A 769 36.285 -9.114 23.099 1.00 32.56 H new ATOM 0 HH11 ARG A 769 34.494 -8.117 20.471 1.00 35.35 H new ATOM 0 HH12 ARG A 769 33.390 -9.097 20.666 1.00 35.35 H new ATOM 0 HH21 ARG A 769 34.613 -10.490 23.401 1.00 34.00 H new ATOM 0 HH22 ARG A 769 33.468 -10.534 22.450 1.00 34.00 H new ATOM 557 N GLN A 770 41.155 -4.676 20.963 1.00 24.17 N ATOM 558 CA GLN A 770 41.676 -3.862 19.974 1.00 26.27 C ATOM 559 C GLN A 770 40.760 -3.709 18.760 1.00 25.25 C ATOM 560 O GLN A 770 40.068 -4.643 18.285 1.00 23.34 O ATOM 561 CB GLN A 770 43.040 -4.387 19.536 1.00 27.18 C ATOM 562 CG GLN A 770 44.044 -4.155 20.664 1.00 34.42 C ATOM 563 CD GLN A 770 45.391 -4.791 20.377 1.00 40.76 C ATOM 564 OE1 GLN A 770 45.737 -5.046 19.231 1.00 52.42 O ATOM 565 NE2 GLN A 770 46.125 -5.112 21.435 1.00 43.66 N ATOM 0 H GLN A 770 41.578 -5.417 21.072 1.00 24.17 H new ATOM 0 HA GLN A 770 41.763 -2.978 20.363 1.00 26.27 H new ATOM 0 HB2 GLN A 770 42.984 -5.332 19.326 1.00 27.18 H new ATOM 0 HB3 GLN A 770 43.331 -3.934 18.729 1.00 27.18 H new ATOM 0 HG2 GLN A 770 44.161 -3.202 20.799 1.00 34.42 H new ATOM 0 HG3 GLN A 770 43.688 -4.517 21.491 1.00 34.42 H new ATOM 0 HE21 GLN A 770 45.849 -4.916 22.225 1.00 43.66 H new ATOM 0 HE22 GLN A 770 46.877 -5.516 21.330 1.00 43.66 H new ATOM 566 N MET A 771 40.819 -2.527 18.215 1.00 22.04 N ATOM 567 CA MET A 771 39.982 -2.233 17.041 1.00 25.00 C ATOM 568 C MET A 771 40.562 -2.894 15.754 1.00 25.59 C ATOM 569 O MET A 771 40.882 -2.210 14.795 1.00 24.78 O ATOM 570 CB MET A 771 39.812 -0.735 16.883 1.00 26.51 C ATOM 571 CG MET A 771 38.872 -0.195 17.913 1.00 33.31 C ATOM 572 SD MET A 771 37.117 -0.557 17.492 1.00 29.45 S ATOM 573 CE MET A 771 36.660 1.072 16.909 1.00 33.61 C ATOM 0 H MET A 771 41.318 -1.881 18.486 1.00 22.04 H new ATOM 0 HA MET A 771 39.103 -2.619 17.181 1.00 25.00 H new ATOM 0 HB2 MET A 771 40.674 -0.297 16.964 1.00 26.51 H new ATOM 0 HB3 MET A 771 39.475 -0.535 15.996 1.00 26.51 H new ATOM 0 HG2 MET A 771 39.083 -0.580 18.778 1.00 33.31 H new ATOM 0 HG3 MET A 771 38.995 0.764 17.992 1.00 33.31 H new ATOM 0 HE1 MET A 771 35.730 1.068 16.634 1.00 33.61 H new ATOM 0 HE2 MET A 771 36.783 1.718 17.622 1.00 33.61 H new ATOM 0 HE3 MET A 771 37.219 1.314 16.154 1.00 33.61 H new ATOM 574 N LEU A 772 40.599 -4.246 15.724 1.00 24.03 N ATOM 575 CA LEU A 772 40.930 -4.989 14.521 1.00 24.79 C ATOM 576 C LEU A 772 39.683 -4.861 13.561 1.00 26.66 C ATOM 577 O LEU A 772 38.633 -4.428 14.034 1.00 26.44 O ATOM 578 CB LEU A 772 41.149 -6.427 14.898 1.00 28.25 C ATOM 579 CG LEU A 772 42.407 -6.799 15.703 1.00 33.61 C ATOM 580 CD1 LEU A 772 42.433 -8.319 15.948 1.00 36.16 C ATOM 581 CD2 LEU A 772 43.621 -6.391 14.928 1.00 35.33 C ATOM 0 H LEU A 772 40.431 -4.741 16.407 1.00 24.03 H new ATOM 0 HA LEU A 772 41.731 -4.654 14.088 1.00 24.79 H new ATOM 0 HB2 LEU A 772 40.377 -6.718 15.408 1.00 28.25 H new ATOM 0 HB3 LEU A 772 41.160 -6.947 14.079 1.00 28.25 H new ATOM 0 HG LEU A 772 42.397 -6.341 16.558 1.00 33.61 H new ATOM 0 HD11 LEU A 772 43.226 -8.552 16.455 1.00 36.16 H new ATOM 0 HD12 LEU A 772 41.643 -8.580 16.446 1.00 36.16 H new ATOM 0 HD13 LEU A 772 42.446 -8.784 15.097 1.00 36.16 H new ATOM 0 HD21 LEU A 772 44.418 -6.623 15.430 1.00 35.33 H new ATOM 0 HD22 LEU A 772 43.631 -6.853 14.075 1.00 35.33 H new ATOM 0 HD23 LEU A 772 43.602 -5.433 14.777 1.00 35.33 H new ATOM 582 N PRO A 773 39.789 -5.224 12.278 1.00 27.48 N ATOM 583 CA PRO A 773 38.691 -5.160 11.299 1.00 28.12 C ATOM 584 C PRO A 773 37.296 -5.598 11.709 1.00 28.77 C ATOM 585 O PRO A 773 36.287 -4.901 11.383 1.00 28.09 O ATOM 586 CB PRO A 773 39.230 -6.040 10.135 1.00 29.12 C ATOM 587 CG PRO A 773 40.679 -5.705 10.114 1.00 29.18 C ATOM 588 CD PRO A 773 41.021 -5.720 11.609 1.00 30.50 C ATOM 0 HA PRO A 773 38.511 -4.227 11.105 1.00 28.12 H new ATOM 0 HB2 PRO A 773 39.081 -6.984 10.299 1.00 29.12 H new ATOM 0 HB3 PRO A 773 38.799 -5.827 9.293 1.00 29.12 H new ATOM 0 HG2 PRO A 773 41.197 -6.356 9.615 1.00 29.18 H new ATOM 0 HG3 PRO A 773 40.847 -4.839 9.710 1.00 29.18 H new ATOM 0 HD2 PRO A 773 41.251 -6.613 11.910 1.00 30.50 H new ATOM 0 HD3 PRO A 773 41.782 -5.151 11.803 1.00 30.50 H new ATOM 589 N GLU A 774 37.207 -6.704 12.439 1.00 28.26 N ATOM 590 CA AGLU A 774 35.926 -7.222 12.898 0.49 30.72 C ATOM 591 CA BGLU A 774 35.897 -7.152 12.826 0.51 31.28 C ATOM 592 C GLU A 774 35.282 -6.305 13.965 1.00 28.48 C ATOM 593 O GLU A 774 34.074 -6.068 13.937 1.00 24.97 O ATOM 594 CB AGLU A 774 36.082 -8.662 13.428 0.49 31.22 C ATOM 595 CB BGLU A 774 35.905 -8.659 13.063 0.51 32.37 C ATOM 596 CG AGLU A 774 34.820 -9.240 14.055 0.49 33.47 C ATOM 597 CG BGLU A 774 36.184 -9.392 11.755 0.51 36.12 C ATOM 598 CD AGLU A 774 34.922 -10.717 14.368 0.49 36.72 C ATOM 599 CD BGLU A 774 35.890 -10.882 11.800 0.51 40.02 C ATOM 600 OE1AGLU A 774 35.635 -11.454 13.664 0.49 37.51 O ATOM 601 OE1BGLU A 774 35.687 -11.439 12.910 0.51 40.89 O ATOM 602 OE2AGLU A 774 34.255 -11.138 15.330 0.49 42.61 O ATOM 603 OE2BGLU A 774 35.849 -11.480 10.690 0.51 44.16 O ATOM 0 H AGLU A 774 37.886 -7.173 12.681 0.49 28.26 H new ATOM 0 H BGLU A 774 37.867 -7.186 12.707 0.51 28.26 H new ATOM 0 HA AGLU A 774 35.326 -7.238 12.136 0.49 31.28 H new ATOM 0 HA BGLU A 774 35.284 -7.000 12.090 0.51 31.28 H new ATOM 0 HB2AGLU A 774 36.359 -9.236 12.697 0.49 32.37 H new ATOM 0 HB2BGLU A 774 36.581 -8.887 13.721 0.51 32.37 H new ATOM 0 HB3AGLU A 774 36.794 -8.678 14.087 0.49 32.37 H new ATOM 0 HB3BGLU A 774 35.050 -8.942 13.425 0.51 32.37 H new ATOM 0 HG2AGLU A 774 34.623 -8.756 14.873 0.49 36.12 H new ATOM 0 HG2BGLU A 774 35.653 -8.989 11.051 0.51 36.12 H new ATOM 0 HG3AGLU A 774 34.073 -9.095 13.453 0.49 36.12 H new ATOM 0 HG3BGLU A 774 37.115 -9.264 11.516 0.51 36.12 H new ATOM 604 N GLU A 775 36.083 -5.806 14.911 1.00 23.82 N ATOM 605 CA AGLU A 775 35.581 -4.883 15.934 0.55 26.46 C ATOM 606 CA BGLU A 775 35.599 -4.879 15.947 0.45 23.97 C ATOM 607 C GLU A 775 35.259 -3.497 15.348 1.00 23.83 C ATOM 608 O GLU A 775 34.274 -2.846 15.744 1.00 20.87 O ATOM 609 CB AGLU A 775 36.586 -4.733 17.076 0.55 29.75 C ATOM 610 CB BGLU A 775 36.626 -4.718 17.085 0.45 23.78 C ATOM 611 CG AGLU A 775 36.992 -6.053 17.741 0.55 35.05 C ATOM 612 CG BGLU A 775 36.602 -5.847 18.130 0.45 24.05 C ATOM 613 CD AGLU A 775 35.817 -6.881 18.243 0.55 39.45 C ATOM 614 CD BGLU A 775 37.141 -7.194 17.583 0.45 25.81 C ATOM 615 OE1AGLU A 775 35.061 -6.319 19.032 0.55 44.14 O ATOM 616 OE1BGLU A 775 37.975 -7.173 16.656 0.45 24.62 O ATOM 617 OE2AGLU A 775 35.658 -8.078 17.891 0.55 38.35 O ATOM 618 OE2BGLU A 775 36.730 -8.280 18.079 0.45 26.16 O ATOM 0 H AGLU A 775 36.921 -5.990 14.978 0.55 23.82 H new ATOM 0 H BGLU A 775 36.920 -5.993 14.972 0.45 23.82 H new ATOM 0 HA AGLU A 775 34.759 -5.267 16.278 0.55 23.97 H new ATOM 0 HA BGLU A 775 34.789 -5.265 16.316 0.45 23.97 H new ATOM 0 HB2AGLU A 775 37.383 -4.297 16.736 0.55 23.78 H new ATOM 0 HB2BGLU A 775 37.515 -4.669 16.699 0.45 23.78 H new ATOM 0 HB3AGLU A 775 36.208 -4.147 17.750 0.55 23.78 H new ATOM 0 HB3BGLU A 775 36.465 -3.873 17.534 0.45 23.78 H new ATOM 0 HG2AGLU A 775 37.500 -6.581 17.106 0.55 24.05 H new ATOM 0 HG2BGLU A 775 37.132 -5.581 18.898 0.45 24.05 H new ATOM 0 HG3AGLU A 775 37.582 -5.861 18.486 0.55 24.05 H new ATOM 0 HG3BGLU A 775 35.692 -5.972 18.442 0.45 24.05 H new ATOM 619 N GLN A 776 36.076 -3.058 14.423 1.00 20.77 N ATOM 620 CA GLN A 776 35.826 -1.836 13.686 1.00 23.71 C ATOM 621 C GLN A 776 34.463 -1.885 13.000 1.00 21.54 C ATOM 622 O GLN A 776 33.667 -0.907 13.109 1.00 21.39 O ATOM 623 CB GLN A 776 36.955 -1.570 12.672 1.00 21.42 C ATOM 624 CG GLN A 776 36.795 -0.365 11.720 1.00 25.01 C ATOM 625 CD GLN A 776 37.181 0.979 12.264 1.00 24.57 C ATOM 626 OE1 GLN A 776 37.986 1.096 13.202 1.00 23.65 O ATOM 627 NE2 GLN A 776 36.612 2.043 11.666 1.00 27.81 N ATOM 0 H GLN A 776 36.801 -3.461 14.198 1.00 20.77 H new ATOM 0 HA GLN A 776 35.813 -1.098 14.315 1.00 23.71 H new ATOM 0 HB2 GLN A 776 37.780 -1.451 13.168 1.00 21.42 H new ATOM 0 HB3 GLN A 776 37.063 -2.367 12.129 1.00 21.42 H new ATOM 0 HG2 GLN A 776 37.326 -0.534 10.926 1.00 25.01 H new ATOM 0 HG3 GLN A 776 35.868 -0.323 11.438 1.00 25.01 H new ATOM 0 HE21 GLN A 776 36.058 1.927 11.018 1.00 27.81 H new ATOM 0 HE22 GLN A 776 36.803 2.838 11.932 1.00 27.81 H new ATOM 628 N LEU A 777 34.172 -3.008 12.339 1.00 20.79 N ATOM 629 CA LEU A 777 32.929 -3.197 11.651 1.00 23.99 C ATOM 630 C LEU A 777 31.737 -3.197 12.600 1.00 24.21 C ATOM 631 O LEU A 777 30.684 -2.632 12.306 1.00 19.39 O ATOM 632 CB LEU A 777 32.953 -4.485 10.877 1.00 28.14 C ATOM 633 CG LEU A 777 31.757 -4.659 9.943 1.00 33.40 C ATOM 634 CD1 LEU A 777 31.913 -3.826 8.664 1.00 36.73 C ATOM 635 CD2 LEU A 777 31.575 -6.145 9.685 1.00 38.41 C ATOM 0 H LEU A 777 34.707 -3.680 12.286 1.00 20.79 H new ATOM 0 HA LEU A 777 32.825 -2.448 11.044 1.00 23.99 H new ATOM 0 HB2 LEU A 777 33.770 -4.525 10.355 1.00 28.14 H new ATOM 0 HB3 LEU A 777 32.978 -5.228 11.500 1.00 28.14 H new ATOM 0 HG LEU A 777 30.948 -4.319 10.357 1.00 33.40 H new ATOM 0 HD11 LEU A 777 31.139 -3.959 8.095 1.00 36.73 H new ATOM 0 HD12 LEU A 777 31.986 -2.887 8.896 1.00 36.73 H new ATOM 0 HD13 LEU A 777 32.713 -4.105 8.192 1.00 36.73 H new ATOM 0 HD21 LEU A 777 30.819 -6.281 9.093 1.00 38.41 H new ATOM 0 HD22 LEU A 777 32.377 -6.503 9.272 1.00 38.41 H new ATOM 0 HD23 LEU A 777 31.413 -6.602 10.525 1.00 38.41 H new ATOM 636 N LYS A 778 31.904 -3.838 13.750 1.00 22.55 N ATOM 637 CA ALYS A 778 30.841 -3.883 14.751 0.17 21.58 C ATOM 638 CA BLYS A 778 30.830 -3.884 14.727 0.83 23.48 C ATOM 639 C LYS A 778 30.555 -2.489 15.320 1.00 20.29 C ATOM 640 O LYS A 778 29.400 -2.154 15.579 1.00 20.63 O ATOM 641 CB ALYS A 778 31.177 -4.879 15.866 0.17 21.39 C ATOM 642 CB BLYS A 778 31.151 -4.911 15.794 0.83 24.85 C ATOM 643 CG ALYS A 778 31.003 -6.343 15.459 0.17 21.71 C ATOM 644 CG BLYS A 778 31.002 -6.391 15.340 0.83 29.88 C ATOM 645 CD ALYS A 778 31.366 -7.295 16.591 0.17 21.39 C ATOM 646 CD BLYS A 778 31.180 -7.354 16.525 0.83 33.10 C ATOM 647 CE ALYS A 778 30.954 -8.730 16.271 0.17 21.69 C ATOM 648 CE BLYS A 778 31.258 -8.825 16.059 0.83 41.83 C ATOM 649 NZ ALYS A 778 31.757 -9.413 15.212 0.17 21.15 N ATOM 650 NZ BLYS A 778 30.939 -9.825 17.136 0.83 46.76 N ATOM 0 H ALYS A 778 32.624 -4.253 13.972 0.17 22.55 H new ATOM 0 H BLYS A 778 32.624 -4.248 13.981 0.83 22.55 H new ATOM 0 HA ALYS A 778 30.033 -4.192 14.311 0.17 23.48 H new ATOM 0 HA BLYS A 778 30.011 -4.159 14.286 0.83 23.48 H new ATOM 0 HB2ALYS A 778 32.094 -4.738 16.149 0.17 24.85 H new ATOM 0 HB2BLYS A 778 32.061 -4.769 16.098 0.83 24.85 H new ATOM 0 HB3ALYS A 778 30.612 -4.696 16.633 0.17 24.85 H new ATOM 0 HB3BLYS A 778 30.570 -4.760 16.556 0.83 24.85 H new ATOM 0 HG2ALYS A 778 30.084 -6.496 15.190 0.17 29.88 H new ATOM 0 HG2BLYS A 778 30.128 -6.523 14.940 0.83 29.88 H new ATOM 0 HG3ALYS A 778 31.559 -6.532 14.687 0.17 29.88 H new ATOM 0 HG3BLYS A 778 31.660 -6.590 14.656 0.83 29.88 H new ATOM 0 HD2ALYS A 778 32.322 -7.260 16.751 0.17 33.10 H new ATOM 0 HD2BLYS A 778 31.988 -7.125 17.010 0.83 33.10 H new ATOM 0 HD3ALYS A 778 30.931 -7.007 17.409 0.17 33.10 H new ATOM 0 HD3BLYS A 778 30.439 -7.249 17.142 0.83 33.10 H new ATOM 0 HE2ALYS A 778 31.010 -9.254 17.085 0.17 41.83 H new ATOM 0 HE2BLYS A 778 30.644 -8.953 15.319 0.83 41.83 H new ATOM 0 HE3ALYS A 778 30.023 -8.729 15.998 0.17 41.83 H new ATOM 0 HE3BLYS A 778 32.150 -9.001 15.721 0.83 41.83 H new ATOM 0 HZ1ALYS A 778 31.211 -9.837 14.652 0.17 46.76 H new ATOM 0 HZ1BLYS A 778 31.001 -10.649 16.805 0.83 46.76 H new ATOM 0 HZ2ALYS A 778 32.231 -8.809 14.763 0.17 46.76 H new ATOM 0 HZ2BLYS A 778 31.515 -9.732 17.808 0.83 46.76 H new ATOM 0 HZ3ALYS A 778 32.308 -10.001 15.590 0.17 46.76 H new ATOM 0 HZ3BLYS A 778 30.112 -9.687 17.434 0.83 46.76 H new ATOM 651 N CYS A 779 31.599 -1.697 15.559 1.00 19.16 N ATOM 652 CA CYS A 779 31.371 -0.307 16.017 1.00 19.47 C ATOM 653 C CYS A 779 30.647 0.534 14.961 1.00 18.77 C ATOM 654 O CYS A 779 29.782 1.300 15.342 1.00 17.19 O ATOM 655 CB CYS A 779 32.636 0.408 16.499 1.00 19.84 C ATOM 656 SG CYS A 779 33.354 -0.393 17.987 1.00 23.37 S ATOM 0 H CYS A 779 32.423 -1.926 15.469 1.00 19.16 H new ATOM 0 HA CYS A 779 30.795 -0.395 16.793 1.00 19.47 H new ATOM 0 HB2 CYS A 779 33.294 0.414 15.787 1.00 19.84 H new ATOM 0 HB3 CYS A 779 32.427 1.334 16.700 1.00 19.84 H new ATOM 0 HG CYS A 779 33.059 0.239 18.964 1.00 23.37 H new ATOM 657 N GLU A 780 31.059 0.459 13.698 1.00 19.62 N ATOM 658 CA GLU A 780 30.351 1.072 12.557 1.00 19.94 C ATOM 659 C GLU A 780 28.881 0.698 12.524 1.00 19.86 C ATOM 660 O GLU A 780 28.040 1.559 12.385 1.00 19.76 O ATOM 661 CB GLU A 780 31.079 0.801 11.230 1.00 19.71 C ATOM 662 CG GLU A 780 32.480 1.377 11.144 1.00 23.82 C ATOM 663 CD GLU A 780 33.413 0.786 10.023 1.00 27.54 C ATOM 664 OE1 GLU A 780 33.085 -0.341 9.486 1.00 31.70 O ATOM 665 OE2 GLU A 780 34.504 1.426 9.667 1.00 31.20 O ATOM 0 H GLU A 780 31.775 0.042 13.468 1.00 19.62 H new ATOM 0 HA GLU A 780 30.369 2.033 12.685 1.00 19.94 H new ATOM 0 HB2 GLU A 780 31.128 -0.158 11.093 1.00 19.71 H new ATOM 0 HB3 GLU A 780 30.548 1.165 10.504 1.00 19.71 H new ATOM 0 HG2 GLU A 780 32.407 2.334 11.005 1.00 23.82 H new ATOM 0 HG3 GLU A 780 32.915 1.247 12.001 1.00 23.82 H new ATOM 666 N PHE A 781 28.556 -0.575 12.771 1.00 18.10 N ATOM 667 CA PHE A 781 27.211 -1.022 12.755 1.00 19.12 C ATOM 668 C PHE A 781 26.397 -0.483 13.918 1.00 17.70 C ATOM 669 O PHE A 781 25.264 -0.048 13.731 1.00 17.89 O ATOM 670 CB PHE A 781 27.202 -2.543 12.738 1.00 20.78 C ATOM 671 CG PHE A 781 25.856 -3.164 12.558 1.00 22.62 C ATOM 672 CD1 PHE A 781 25.047 -2.790 11.513 1.00 24.42 C ATOM 673 CD2 PHE A 781 25.442 -4.169 13.386 1.00 23.06 C ATOM 674 CE1 PHE A 781 23.863 -3.439 11.288 1.00 26.04 C ATOM 675 CE2 PHE A 781 24.246 -4.760 13.231 1.00 24.21 C ATOM 676 CZ PHE A 781 23.442 -4.400 12.183 1.00 26.02 C ATOM 0 H PHE A 781 29.130 -1.189 12.951 1.00 18.10 H new ATOM 0 HA PHE A 781 26.786 -0.677 11.954 1.00 19.12 H new ATOM 0 HB2 PHE A 781 27.782 -2.848 12.023 1.00 20.78 H new ATOM 0 HB3 PHE A 781 27.583 -2.865 13.570 1.00 20.78 H new ATOM 0 HD1 PHE A 781 25.305 -2.092 10.955 1.00 24.42 H new ATOM 0 HD2 PHE A 781 26.002 -4.450 14.073 1.00 23.06 H new ATOM 0 HE1 PHE A 781 23.349 -3.234 10.541 1.00 26.04 H new ATOM 0 HE2 PHE A 781 23.965 -5.411 13.833 1.00 24.21 H new ATOM 0 HZ PHE A 781 22.611 -4.804 12.075 1.00 26.02 H new ATOM 677 N LEU A 782 27.000 -0.448 15.105 1.00 17.87 N ATOM 678 CA LEU A 782 26.341 0.034 16.305 1.00 15.76 C ATOM 679 C LEU A 782 26.074 1.544 16.113 1.00 15.63 C ATOM 680 O LEU A 782 24.961 2.012 16.429 1.00 16.73 O ATOM 681 CB LEU A 782 27.265 -0.202 17.529 1.00 18.01 C ATOM 682 CG LEU A 782 26.899 0.382 18.863 1.00 19.38 C ATOM 683 CD1 LEU A 782 25.481 0.109 19.176 1.00 21.82 C ATOM 684 CD2 LEU A 782 27.745 -0.224 19.991 1.00 20.13 C ATOM 0 H LEU A 782 27.810 -0.707 15.232 1.00 17.87 H new ATOM 0 HA LEU A 782 25.506 -0.435 16.459 1.00 15.76 H new ATOM 0 HB2 LEU A 782 27.351 -1.161 17.646 1.00 18.01 H new ATOM 0 HB3 LEU A 782 28.145 0.135 17.297 1.00 18.01 H new ATOM 0 HG LEU A 782 27.061 1.337 18.805 1.00 19.38 H new ATOM 0 HD11 LEU A 782 25.260 0.492 20.039 1.00 21.82 H new ATOM 0 HD12 LEU A 782 24.917 0.505 18.494 1.00 21.82 H new ATOM 0 HD13 LEU A 782 25.334 -0.849 19.201 1.00 21.82 H new ATOM 0 HD21 LEU A 782 27.486 0.172 20.838 1.00 20.13 H new ATOM 0 HD22 LEU A 782 27.601 -1.183 20.025 1.00 20.13 H new ATOM 0 HD23 LEU A 782 28.684 -0.045 19.824 1.00 20.13 H new ATOM 685 N LEU A 783 27.043 2.279 15.576 1.00 16.49 N ATOM 686 CA LEU A 783 26.809 3.704 15.216 1.00 16.90 C ATOM 687 C LEU A 783 25.678 3.870 14.219 1.00 17.07 C ATOM 688 O LEU A 783 24.775 4.711 14.407 1.00 16.91 O ATOM 689 CB LEU A 783 28.056 4.348 14.680 1.00 16.58 C ATOM 690 CG LEU A 783 28.050 5.824 14.411 1.00 17.36 C ATOM 691 CD1 LEU A 783 27.593 6.602 15.635 1.00 17.89 C ATOM 692 CD2 LEU A 783 29.387 6.317 13.889 1.00 19.46 C ATOM 0 H LEU A 783 27.836 1.990 15.409 1.00 16.49 H new ATOM 0 HA LEU A 783 26.552 4.150 16.038 1.00 16.90 H new ATOM 0 HB2 LEU A 783 28.773 4.167 15.308 1.00 16.58 H new ATOM 0 HB3 LEU A 783 28.285 3.899 13.851 1.00 16.58 H new ATOM 0 HG LEU A 783 27.405 5.986 13.705 1.00 17.36 H new ATOM 0 HD11 LEU A 783 27.598 7.551 15.436 1.00 17.89 H new ATOM 0 HD12 LEU A 783 26.695 6.327 15.876 1.00 17.89 H new ATOM 0 HD13 LEU A 783 28.195 6.424 16.375 1.00 17.89 H new ATOM 0 HD21 LEU A 783 29.340 7.273 13.729 1.00 19.46 H new ATOM 0 HD22 LEU A 783 30.078 6.133 14.544 1.00 19.46 H new ATOM 0 HD23 LEU A 783 29.599 5.861 13.060 1.00 19.46 H new ATOM 693 N LEU A 784 25.663 2.987 13.212 1.00 18.74 N ATOM 694 CA LEU A 784 24.591 2.982 12.256 1.00 19.49 C ATOM 695 C LEU A 784 23.232 2.762 12.883 1.00 20.80 C ATOM 696 O LEU A 784 22.221 3.464 12.539 1.00 22.07 O ATOM 697 CB LEU A 784 24.840 2.052 11.066 1.00 21.56 C ATOM 698 CG LEU A 784 23.707 2.074 10.019 1.00 22.05 C ATOM 699 CD1 LEU A 784 24.279 2.102 8.636 1.00 26.09 C ATOM 700 CD2 LEU A 784 22.800 0.875 10.154 1.00 23.99 C ATOM 0 H LEU A 784 26.269 2.391 13.079 1.00 18.74 H new ATOM 0 HA LEU A 784 24.578 3.881 11.893 1.00 19.49 H new ATOM 0 HB2 LEU A 784 25.672 2.304 10.636 1.00 21.56 H new ATOM 0 HB3 LEU A 784 24.952 1.145 11.391 1.00 21.56 H new ATOM 0 HG LEU A 784 23.184 2.875 10.177 1.00 22.05 H new ATOM 0 HD11 LEU A 784 23.558 2.116 7.988 1.00 26.09 H new ATOM 0 HD12 LEU A 784 24.826 2.896 8.528 1.00 26.09 H new ATOM 0 HD13 LEU A 784 24.825 1.313 8.495 1.00 26.09 H new ATOM 0 HD21 LEU A 784 22.101 0.920 9.483 1.00 23.99 H new ATOM 0 HD22 LEU A 784 23.316 0.063 10.029 1.00 23.99 H new ATOM 0 HD23 LEU A 784 22.399 0.870 11.037 1.00 23.99 H new ATOM 701 N LYS A 785 23.147 1.831 13.812 1.00 19.69 N ATOM 702 CA LYS A 785 21.899 1.569 14.545 1.00 19.45 C ATOM 703 C LYS A 785 21.369 2.793 15.330 1.00 21.04 C ATOM 704 O LYS A 785 20.160 3.014 15.405 1.00 18.92 O ATOM 705 CB LYS A 785 22.027 0.352 15.463 1.00 22.54 C ATOM 706 CG LYS A 785 22.063 -0.977 14.685 1.00 24.62 C ATOM 707 CD LYS A 785 20.668 -1.284 14.173 1.00 30.61 C ATOM 708 CE LYS A 785 20.662 -2.633 13.551 1.00 42.77 C ATOM 709 NZ LYS A 785 19.290 -3.150 13.569 1.00 45.99 N ATOM 0 H LYS A 785 23.804 1.327 14.044 1.00 19.69 H new ATOM 0 HA LYS A 785 21.238 1.375 13.862 1.00 19.45 H new ATOM 0 HB2 LYS A 785 22.835 0.435 15.993 1.00 22.54 H new ATOM 0 HB3 LYS A 785 21.281 0.339 16.083 1.00 22.54 H new ATOM 0 HG2 LYS A 785 22.686 -0.915 13.944 1.00 24.62 H new ATOM 0 HG3 LYS A 785 22.375 -1.694 15.259 1.00 24.62 H new ATOM 0 HD2 LYS A 785 20.029 -1.249 14.902 1.00 30.61 H new ATOM 0 HD3 LYS A 785 20.395 -0.616 13.525 1.00 30.61 H new ATOM 0 HE2 LYS A 785 20.992 -2.585 12.640 1.00 42.77 H new ATOM 0 HE3 LYS A 785 21.253 -3.230 14.036 1.00 42.77 H new ATOM 0 HZ1 LYS A 785 19.273 -3.959 13.199 1.00 45.99 H new ATOM 0 HZ2 LYS A 785 19.003 -3.203 14.410 1.00 45.99 H new ATOM 0 HZ3 LYS A 785 18.760 -2.602 13.109 1.00 45.99 H new ATOM 710 N VAL A 786 22.266 3.615 15.847 1.00 18.59 N ATOM 711 CA VAL A 786 21.844 4.880 16.493 1.00 18.24 C ATOM 712 C VAL A 786 21.277 5.868 15.471 1.00 19.38 C ATOM 713 O VAL A 786 20.212 6.458 15.714 1.00 19.27 O ATOM 714 CB VAL A 786 22.959 5.474 17.357 1.00 19.15 C ATOM 715 CG1 VAL A 786 22.613 6.866 17.921 1.00 16.89 C ATOM 716 CG2 VAL A 786 23.333 4.492 18.454 1.00 17.45 C ATOM 0 H VAL A 786 23.115 3.476 15.842 1.00 18.59 H new ATOM 0 HA VAL A 786 21.117 4.677 17.103 1.00 18.24 H new ATOM 0 HB VAL A 786 23.730 5.617 16.786 1.00 19.15 H new ATOM 0 HG11 VAL A 786 23.353 7.191 18.458 1.00 16.89 H new ATOM 0 HG12 VAL A 786 22.451 7.481 17.189 1.00 16.89 H new ATOM 0 HG13 VAL A 786 21.817 6.803 18.472 1.00 16.89 H new ATOM 0 HG21 VAL A 786 24.040 4.870 19.000 1.00 17.45 H new ATOM 0 HG22 VAL A 786 22.557 4.314 19.008 1.00 17.45 H new ATOM 0 HG23 VAL A 786 23.642 3.663 18.055 1.00 17.45 H new ATOM 717 N TYR A 787 21.958 6.023 14.315 1.00 19.13 N ATOM 718 CA TYR A 787 21.501 6.935 13.271 1.00 18.64 C ATOM 719 C TYR A 787 20.157 6.465 12.681 1.00 22.00 C ATOM 720 O TYR A 787 19.380 7.326 12.226 1.00 21.52 O ATOM 721 CB TYR A 787 22.532 7.092 12.138 1.00 17.34 C ATOM 722 CG TYR A 787 23.651 8.042 12.313 1.00 18.36 C ATOM 723 CD1 TYR A 787 23.492 9.435 12.012 1.00 20.86 C ATOM 724 CD2 TYR A 787 24.888 7.624 12.695 1.00 17.40 C ATOM 725 CE1 TYR A 787 24.539 10.319 12.164 1.00 19.40 C ATOM 726 CE2 TYR A 787 25.940 8.507 12.815 1.00 17.47 C ATOM 727 CZ TYR A 787 25.767 9.842 12.583 1.00 19.31 C ATOM 728 OH TYR A 787 26.812 10.715 12.656 1.00 18.31 O ATOM 0 H TYR A 787 22.685 5.604 14.127 1.00 19.13 H new ATOM 0 HA TYR A 787 21.385 7.801 13.693 1.00 18.64 H new ATOM 0 HB2 TYR A 787 22.915 6.217 11.967 1.00 17.34 H new ATOM 0 HB3 TYR A 787 22.050 7.352 11.337 1.00 17.34 H new ATOM 0 HD1 TYR A 787 22.670 9.747 11.710 1.00 20.86 H new ATOM 0 HD2 TYR A 787 25.027 6.723 12.879 1.00 17.40 H new ATOM 0 HE1 TYR A 787 24.421 11.224 11.987 1.00 19.40 H new ATOM 0 HE2 TYR A 787 26.780 8.189 13.057 1.00 17.47 H new ATOM 0 HH TYR A 787 26.541 11.492 12.486 1.00 18.31 H new ATOM 729 N CYS A 788 19.833 5.179 12.765 1.00 18.57 N ATOM 730 CA CYS A 788 18.540 4.674 12.320 1.00 22.24 C ATOM 731 C CYS A 788 17.358 5.180 13.152 1.00 25.97 C ATOM 732 O CYS A 788 16.230 5.164 12.693 1.00 24.42 O ATOM 733 CB CYS A 788 18.437 3.145 12.334 1.00 22.24 C ATOM 734 SG CYS A 788 19.467 2.301 11.110 1.00 26.92 S ATOM 0 H CYS A 788 20.357 4.575 13.082 1.00 18.57 H new ATOM 0 HA CYS A 788 18.489 5.013 11.413 1.00 22.24 H new ATOM 0 HB2 CYS A 788 18.680 2.826 13.217 1.00 22.24 H new ATOM 0 HB3 CYS A 788 17.512 2.895 12.186 1.00 22.24 H new ATOM 0 HG CYS A 788 20.624 2.522 11.339 1.00 26.92 H new ATOM 735 N ASP A 789 17.600 5.605 14.363 1.00 24.24 N ATOM 736 CA ASP A 789 16.495 6.230 15.163 1.00 25.39 C ATOM 737 C ASP A 789 16.352 7.649 14.783 1.00 23.27 C ATOM 738 O ASP A 789 17.317 8.396 14.782 1.00 20.69 O ATOM 739 CB ASP A 789 16.775 6.171 16.683 1.00 28.01 C ATOM 740 CG ASP A 789 15.480 6.376 17.521 1.00 33.98 C ATOM 741 OD1 ASP A 789 15.038 7.539 17.766 1.00 32.65 O ATOM 742 OD2 ASP A 789 14.868 5.321 17.860 1.00 37.76 O ATOM 0 H ASP A 789 18.362 5.558 14.759 1.00 24.24 H new ATOM 0 HA ASP A 789 15.686 5.730 14.973 1.00 25.39 H new ATOM 0 HB2 ASP A 789 17.171 5.314 16.905 1.00 28.01 H new ATOM 0 HB3 ASP A 789 17.423 6.853 16.919 1.00 28.01 H new ATOM 743 N SER A 790 15.119 8.093 14.483 1.00 24.09 N ATOM 744 CA SER A 790 14.966 9.512 14.094 1.00 25.74 C ATOM 745 C SER A 790 15.380 10.532 15.169 1.00 22.50 C ATOM 746 O SER A 790 15.819 11.642 14.820 1.00 24.63 O ATOM 747 CB SER A 790 13.508 9.779 13.659 1.00 28.79 C ATOM 748 OG SER A 790 12.704 9.588 14.825 1.00 35.96 O ATOM 0 H SER A 790 14.398 7.624 14.496 1.00 24.09 H new ATOM 0 HA SER A 790 15.584 9.646 13.358 1.00 25.74 H new ATOM 0 HB2 SER A 790 13.409 10.680 13.313 1.00 28.79 H new ATOM 0 HB3 SER A 790 13.241 9.172 12.951 1.00 28.79 H new ATOM 0 HG SER A 790 12.609 8.766 14.968 1.00 35.96 H new ATOM 749 N LYS A 791 15.406 10.141 16.447 1.00 19.73 N ATOM 750 CA LYS A 791 15.793 11.013 17.496 1.00 21.28 C ATOM 751 C LYS A 791 17.282 11.274 17.496 1.00 25.20 C ATOM 752 O LYS A 791 17.769 12.200 18.196 1.00 19.70 O ATOM 753 CB LYS A 791 15.300 10.549 18.848 1.00 24.27 C ATOM 754 CG LYS A 791 13.799 10.592 19.064 1.00 28.03 C ATOM 755 CD LYS A 791 13.395 9.536 20.123 1.00 33.18 C ATOM 756 CE LYS A 791 11.900 9.508 20.405 1.00 36.85 C ATOM 757 NZ LYS A 791 11.457 10.651 21.243 1.00 37.48 N ATOM 0 H LYS A 791 15.193 9.350 16.708 1.00 19.73 H new ATOM 0 HA LYS A 791 15.356 11.861 17.321 1.00 21.28 H new ATOM 0 HB2 LYS A 791 15.602 9.638 18.986 1.00 24.27 H new ATOM 0 HB3 LYS A 791 15.722 11.094 19.530 1.00 24.27 H new ATOM 0 HG2 LYS A 791 13.531 11.477 19.358 1.00 28.03 H new ATOM 0 HG3 LYS A 791 13.338 10.418 18.229 1.00 28.03 H new ATOM 0 HD2 LYS A 791 13.677 8.659 19.820 1.00 33.18 H new ATOM 0 HD3 LYS A 791 13.870 9.717 20.949 1.00 33.18 H new ATOM 0 HE2 LYS A 791 11.415 9.520 19.565 1.00 36.85 H new ATOM 0 HE3 LYS A 791 11.674 8.677 20.851 1.00 36.85 H new ATOM 0 HZ1 LYS A 791 10.607 10.534 21.479 1.00 37.48 H new ATOM 0 HZ2 LYS A 791 11.964 10.698 21.973 1.00 37.48 H new ATOM 0 HZ3 LYS A 791 11.535 11.407 20.780 1.00 37.48 H new ATOM 758 N SER A 792 18.044 10.502 16.707 1.00 22.07 N ATOM 759 CA SER A 792 19.481 10.781 16.577 1.00 22.58 C ATOM 760 C SER A 792 19.797 12.166 15.984 1.00 21.55 C ATOM 761 O SER A 792 20.883 12.710 16.178 1.00 20.10 O ATOM 762 CB SER A 792 20.121 9.699 15.666 1.00 22.87 C ATOM 763 OG SER A 792 19.644 9.821 14.314 1.00 24.62 O ATOM 0 H SER A 792 17.758 9.831 16.251 1.00 22.07 H new ATOM 0 HA SER A 792 19.847 10.768 17.475 1.00 22.58 H new ATOM 0 HB2 SER A 792 21.087 9.787 15.682 1.00 22.87 H new ATOM 0 HB3 SER A 792 19.911 8.816 16.009 1.00 22.87 H new ATOM 0 HG SER A 792 18.904 9.430 14.241 1.00 24.62 H new ATOM 764 N CYS A 793 18.855 12.766 15.276 1.00 22.90 N ATOM 765 CA CYS A 793 19.041 14.132 14.747 1.00 23.54 C ATOM 766 C CYS A 793 19.480 15.163 15.786 1.00 22.03 C ATOM 767 O CYS A 793 20.336 16.039 15.523 1.00 22.70 O ATOM 768 CB CYS A 793 17.732 14.599 14.023 1.00 31.97 C ATOM 769 SG CYS A 793 16.369 14.991 15.161 1.00 32.37 S ATOM 0 H CYS A 793 18.096 12.409 15.084 1.00 22.90 H new ATOM 0 HA CYS A 793 19.777 14.080 14.118 1.00 23.54 H new ATOM 0 HB2 CYS A 793 17.930 15.382 13.486 1.00 31.97 H new ATOM 0 HB3 CYS A 793 17.443 13.903 13.413 1.00 31.97 H new ATOM 0 HG CYS A 793 15.763 13.988 15.421 1.00 32.37 H new ATOM 770 N PHE A 794 18.991 15.007 17.022 1.00 20.06 N ATOM 771 CA PHE A 794 19.387 15.907 18.091 1.00 21.65 C ATOM 772 C PHE A 794 20.853 15.829 18.508 1.00 24.37 C ATOM 773 O PHE A 794 21.378 16.755 19.100 1.00 22.58 O ATOM 774 CB PHE A 794 18.534 15.690 19.339 1.00 23.64 C ATOM 775 CG PHE A 794 17.098 16.027 19.141 1.00 21.94 C ATOM 776 CD1 PHE A 794 16.690 17.360 18.973 1.00 24.30 C ATOM 777 CD2 PHE A 794 16.147 15.032 19.144 1.00 25.45 C ATOM 778 CE1 PHE A 794 15.296 17.668 18.848 1.00 22.73 C ATOM 779 CE2 PHE A 794 14.753 15.320 18.977 1.00 27.64 C ATOM 780 CZ PHE A 794 14.341 16.650 18.821 1.00 22.46 C ATOM 0 H PHE A 794 18.436 14.392 17.253 1.00 20.06 H new ATOM 0 HA PHE A 794 19.247 16.787 17.707 1.00 21.65 H new ATOM 0 HB2 PHE A 794 18.606 14.763 19.615 1.00 23.64 H new ATOM 0 HB3 PHE A 794 18.889 16.230 20.063 1.00 23.64 H new ATOM 0 HD1 PHE A 794 17.323 18.041 18.943 1.00 24.30 H new ATOM 0 HD2 PHE A 794 16.416 14.149 19.257 1.00 25.45 H new ATOM 0 HE1 PHE A 794 15.025 18.555 18.784 1.00 22.73 H new ATOM 0 HE2 PHE A 794 14.128 14.631 18.972 1.00 27.64 H new ATOM 0 HZ PHE A 794 13.441 16.852 18.701 1.00 22.46 H new ATOM 781 N PHE A 795 21.464 14.683 18.235 1.00 18.59 N ATOM 782 CA PHE A 795 22.851 14.392 18.583 1.00 20.89 C ATOM 783 C PHE A 795 23.828 14.311 17.391 1.00 22.00 C ATOM 784 O PHE A 795 24.966 14.026 17.620 1.00 21.47 O ATOM 785 CB PHE A 795 22.842 13.061 19.368 1.00 19.40 C ATOM 786 CG PHE A 795 21.930 13.110 20.563 1.00 21.12 C ATOM 787 CD1 PHE A 795 22.282 13.842 21.638 1.00 21.45 C ATOM 788 CD2 PHE A 795 20.677 12.508 20.551 1.00 21.21 C ATOM 789 CE1 PHE A 795 21.438 13.932 22.754 1.00 22.09 C ATOM 790 CE2 PHE A 795 19.816 12.591 21.648 1.00 20.37 C ATOM 791 CZ PHE A 795 20.201 13.291 22.762 1.00 18.70 C ATOM 0 H PHE A 795 21.072 14.033 17.830 1.00 18.59 H new ATOM 0 HA PHE A 795 23.188 15.136 19.107 1.00 20.89 H new ATOM 0 HB2 PHE A 795 22.562 12.343 18.779 1.00 19.40 H new ATOM 0 HB3 PHE A 795 23.744 12.854 19.660 1.00 19.40 H new ATOM 0 HD1 PHE A 795 23.095 14.293 21.640 1.00 21.45 H new ATOM 0 HD2 PHE A 795 20.406 12.039 19.795 1.00 21.21 H new ATOM 0 HE1 PHE A 795 21.706 14.424 23.496 1.00 22.09 H new ATOM 0 HE2 PHE A 795 18.985 12.173 21.623 1.00 20.37 H new ATOM 0 HZ PHE A 795 19.648 13.337 23.508 1.00 18.70 H new ATOM 792 N ALA A 796 23.389 14.545 16.155 1.00 20.03 N ATOM 793 CA ALA A 796 24.246 14.360 14.989 1.00 19.95 C ATOM 794 C ALA A 796 25.302 15.412 14.822 1.00 20.88 C ATOM 795 O ALA A 796 26.448 15.079 14.538 1.00 21.48 O ATOM 796 CB ALA A 796 23.434 14.250 13.699 1.00 23.28 C ATOM 0 H ALA A 796 22.593 14.813 15.971 1.00 20.03 H new ATOM 0 HA ALA A 796 24.705 13.523 15.162 1.00 19.95 H new ATOM 0 HB1 ALA A 796 24.035 14.128 12.947 1.00 23.28 H new ATOM 0 HB2 ALA A 796 22.833 13.491 13.758 1.00 23.28 H new ATOM 0 HB3 ALA A 796 22.918 15.061 13.571 1.00 23.28 H new ATOM 797 N SER A 797 24.965 16.684 15.029 1.00 22.66 N ATOM 798 CA SER A 797 25.865 17.734 14.614 1.00 23.64 C ATOM 799 C SER A 797 26.324 18.464 15.818 1.00 22.57 C ATOM 800 O SER A 797 25.850 18.210 16.915 1.00 23.95 O ATOM 801 CB SER A 797 25.158 18.618 13.553 1.00 28.46 C ATOM 802 OG SER A 797 24.276 19.436 14.266 1.00 33.38 O ATOM 0 H SER A 797 24.235 16.948 15.400 1.00 22.66 H new ATOM 0 HA SER A 797 26.661 17.387 14.183 1.00 23.64 H new ATOM 0 HB2 SER A 797 25.801 19.149 13.057 1.00 28.46 H new ATOM 0 HB3 SER A 797 24.682 18.073 12.907 1.00 28.46 H new ATOM 0 HG SER A 797 24.619 20.196 14.368 1.00 33.38 H new ATOM 803 N GLU A 798 27.280 19.353 15.632 1.00 22.70 N ATOM 804 CA GLU A 798 27.990 19.982 16.729 1.00 24.67 C ATOM 805 C GLU A 798 27.046 20.891 17.479 1.00 28.40 C ATOM 806 O GLU A 798 26.411 21.714 16.871 1.00 27.84 O ATOM 807 CB GLU A 798 29.194 20.799 16.248 1.00 26.15 C ATOM 808 CG GLU A 798 30.016 21.401 17.365 1.00 30.76 C ATOM 809 CD GLU A 798 31.331 22.062 16.903 1.00 34.61 C ATOM 810 OE1 GLU A 798 31.610 22.181 15.661 1.00 39.17 O ATOM 811 OE2 GLU A 798 32.114 22.441 17.821 1.00 37.73 O ATOM 0 H GLU A 798 27.540 19.613 14.854 1.00 22.70 H new ATOM 0 HA GLU A 798 28.321 19.276 17.306 1.00 24.67 H new ATOM 0 HB2 GLU A 798 29.765 20.229 15.710 1.00 26.15 H new ATOM 0 HB3 GLU A 798 28.879 21.512 15.670 1.00 26.15 H new ATOM 0 HG2 GLU A 798 29.478 22.063 17.827 1.00 30.76 H new ATOM 0 HG3 GLU A 798 30.225 20.706 18.009 1.00 30.76 H new ATOM 812 N PRO A 799 26.958 20.719 18.791 1.00 25.70 N ATOM 813 CA PRO A 799 26.004 21.403 19.608 1.00 27.99 C ATOM 814 C PRO A 799 26.590 22.732 20.086 1.00 28.86 C ATOM 815 O PRO A 799 27.826 22.949 20.004 1.00 27.03 O ATOM 816 CB PRO A 799 25.840 20.459 20.805 1.00 26.79 C ATOM 817 CG PRO A 799 27.147 19.845 20.943 1.00 29.40 C ATOM 818 CD PRO A 799 27.662 19.667 19.562 1.00 28.67 C ATOM 0 HA PRO A 799 25.173 21.601 19.148 1.00 27.99 H new ATOM 0 HB2 PRO A 799 25.587 20.942 21.607 1.00 26.79 H new ATOM 0 HB3 PRO A 799 25.150 19.796 20.644 1.00 26.79 H new ATOM 0 HG2 PRO A 799 27.741 20.406 21.466 1.00 29.40 H new ATOM 0 HG3 PRO A 799 27.084 18.993 21.403 1.00 29.40 H new ATOM 0 HD2 PRO A 799 28.625 19.779 19.523 1.00 28.67 H new ATOM 0 HD3 PRO A 799 27.466 18.781 19.219 1.00 28.67 H new ATOM 819 N TYR A 800 25.717 23.606 20.588 1.00 28.67 N ATOM 820 CA TYR A 800 26.172 24.742 21.386 1.00 30.36 C ATOM 821 C TYR A 800 25.307 24.959 22.622 1.00 28.55 C ATOM 822 O TYR A 800 24.156 24.535 22.725 1.00 25.54 O ATOM 823 CB TYR A 800 26.239 25.993 20.514 1.00 35.74 C ATOM 824 CG TYR A 800 24.881 26.440 20.018 1.00 43.53 C ATOM 825 CD1 TYR A 800 24.449 26.120 18.735 1.00 47.88 C ATOM 826 CD2 TYR A 800 24.056 27.268 20.817 1.00 53.19 C ATOM 827 CE1 TYR A 800 23.223 26.591 18.239 1.00 58.43 C ATOM 828 CE2 TYR A 800 22.817 27.733 20.342 1.00 60.98 C ATOM 829 CZ TYR A 800 22.409 27.400 19.050 1.00 66.46 C ATOM 830 OH TYR A 800 21.198 27.865 18.579 1.00 77.00 O ATOM 0 H TYR A 800 24.865 23.559 20.479 1.00 28.67 H new ATOM 0 HA TYR A 800 27.064 24.545 21.713 1.00 30.36 H new ATOM 0 HB2 TYR A 800 26.646 26.713 21.021 1.00 35.74 H new ATOM 0 HB3 TYR A 800 26.815 25.821 19.753 1.00 35.74 H new ATOM 0 HD1 TYR A 800 24.983 25.583 18.195 1.00 47.88 H new ATOM 0 HD2 TYR A 800 24.338 27.508 21.670 1.00 53.19 H new ATOM 0 HE1 TYR A 800 22.951 26.369 17.378 1.00 58.43 H new ATOM 0 HE2 TYR A 800 22.274 28.258 20.884 1.00 60.98 H new ATOM 0 HH TYR A 800 20.827 28.331 19.171 1.00 77.00 H new ATOM 831 N TYR A 801 25.900 25.645 23.577 1.00 26.23 N ATOM 832 CA TYR A 801 25.418 25.691 24.926 1.00 24.33 C ATOM 833 C TYR A 801 25.314 27.143 25.481 1.00 27.05 C ATOM 834 O TYR A 801 26.303 27.744 25.982 1.00 22.80 O ATOM 835 CB TYR A 801 26.409 24.901 25.765 1.00 25.37 C ATOM 836 CG TYR A 801 26.460 23.428 25.323 1.00 26.82 C ATOM 837 CD1 TYR A 801 25.489 22.525 25.744 1.00 27.82 C ATOM 838 CD2 TYR A 801 27.483 22.954 24.485 1.00 26.91 C ATOM 839 CE1 TYR A 801 25.545 21.179 25.358 1.00 29.06 C ATOM 840 CE2 TYR A 801 27.550 21.615 24.087 1.00 28.52 C ATOM 841 CZ TYR A 801 26.567 20.720 24.547 1.00 29.44 C ATOM 842 OH TYR A 801 26.565 19.399 24.221 1.00 25.95 O ATOM 0 H TYR A 801 26.614 26.108 23.450 1.00 26.23 H new ATOM 0 HA TYR A 801 24.522 25.321 24.958 1.00 24.33 H new ATOM 0 HB2 TYR A 801 27.291 25.296 25.686 1.00 25.37 H new ATOM 0 HB3 TYR A 801 26.158 24.952 26.701 1.00 25.37 H new ATOM 0 HD1 TYR A 801 24.794 22.818 26.288 1.00 27.82 H new ATOM 0 HD2 TYR A 801 28.134 23.547 24.187 1.00 26.91 H new ATOM 0 HE1 TYR A 801 24.888 20.589 25.650 1.00 29.06 H new ATOM 0 HE2 TYR A 801 28.233 21.321 23.528 1.00 28.52 H new ATOM 0 HH TYR A 801 25.823 19.061 24.424 1.00 25.95 H new ATOM 843 N ASN A 802 24.075 27.602 25.549 1.00 25.75 N ATOM 844 CA ASN A 802 23.799 28.895 26.160 1.00 28.61 C ATOM 845 C ASN A 802 22.381 28.890 26.699 1.00 27.10 C ATOM 846 O ASN A 802 21.420 29.260 25.996 1.00 27.33 O ATOM 847 CB ASN A 802 23.999 30.041 25.155 1.00 28.41 C ATOM 848 CG ASN A 802 23.923 31.397 25.823 1.00 31.99 C ATOM 849 OD1 ASN A 802 23.824 31.488 27.074 1.00 27.45 O ATOM 850 ND2 ASN A 802 24.010 32.463 25.012 1.00 29.84 N ATOM 0 H ASN A 802 23.384 27.186 25.251 1.00 25.75 H new ATOM 0 HA ASN A 802 24.423 29.043 26.888 1.00 28.61 H new ATOM 0 HB2 ASN A 802 24.861 29.943 24.720 1.00 28.41 H new ATOM 0 HB3 ASN A 802 23.323 29.984 24.461 1.00 28.41 H new ATOM 0 HD21 ASN A 802 23.999 33.257 25.343 1.00 29.84 H new ATOM 0 HD22 ASN A 802 24.076 32.352 24.162 1.00 29.84 H new ATOM 851 N ARG A 803 22.294 28.444 27.937 1.00 30.86 N ATOM 852 CA AARG A 803 21.019 28.273 28.633 0.43 34.22 C ATOM 853 CA BARG A 803 21.024 28.247 28.627 0.57 34.50 C ATOM 854 C ARG A 803 21.172 28.829 30.020 1.00 34.11 C ATOM 855 O ARG A 803 22.170 28.569 30.705 1.00 33.10 O ATOM 856 CB AARG A 803 20.583 26.793 28.694 0.43 38.11 C ATOM 857 CB BARG A 803 20.676 26.737 28.670 0.57 39.54 C ATOM 858 CG AARG A 803 19.768 26.375 29.925 0.43 38.83 C ATOM 859 CG BARG A 803 19.469 26.306 29.507 0.57 39.43 C ATOM 860 CD AARG A 803 19.303 24.923 29.876 0.43 39.58 C ATOM 861 CD BARG A 803 19.376 24.801 29.760 0.57 42.25 C ATOM 862 NE AARG A 803 18.119 24.779 29.054 0.43 42.05 N ATOM 863 NE BARG A 803 18.018 24.509 30.186 0.57 44.45 N ATOM 864 CZ AARG A 803 16.898 24.591 29.537 0.43 37.66 C ATOM 865 CZ BARG A 803 17.596 24.166 31.397 0.57 48.08 C ATOM 866 NH1AARG A 803 16.693 24.515 30.840 0.43 41.86 N ATOM 867 NH1BARG A 803 18.417 23.916 32.403 0.57 50.44 N ATOM 868 NH2AARG A 803 15.902 24.486 28.710 0.43 32.46 N ATOM 869 NH2BARG A 803 16.290 24.001 31.572 0.57 58.10 N ATOM 0 H AARG A 803 22.979 28.227 28.410 0.43 30.86 H new ATOM 0 H BARG A 803 22.981 28.242 28.413 0.57 30.86 H new ATOM 0 HA AARG A 803 20.326 28.745 28.145 0.43 34.50 H new ATOM 0 HA BARG A 803 20.297 28.692 28.165 0.57 34.50 H new ATOM 0 HB2AARG A 803 20.060 26.597 27.901 0.43 39.54 H new ATOM 0 HB2BARG A 803 20.528 26.439 27.759 0.57 39.54 H new ATOM 0 HB3AARG A 803 21.378 26.239 28.653 0.43 39.54 H new ATOM 0 HB3BARG A 803 21.454 26.261 29.001 0.57 39.54 H new ATOM 0 HG2AARG A 803 20.305 26.509 30.722 0.43 39.43 H new ATOM 0 HG2BARG A 803 19.502 26.764 30.361 0.57 39.43 H new ATOM 0 HG3AARG A 803 18.994 26.954 30.004 0.43 39.43 H new ATOM 0 HG3BARG A 803 18.659 26.598 29.060 0.57 39.43 H new ATOM 0 HD2AARG A 803 20.014 24.365 29.524 0.43 42.25 H new ATOM 0 HD2BARG A 803 19.594 24.306 28.955 0.57 42.25 H new ATOM 0 HD3AARG A 803 19.116 24.610 30.775 0.43 42.25 H new ATOM 0 HD3BARG A 803 20.012 24.530 30.440 0.57 42.25 H new ATOM 0 HE AARG A 803 18.214 24.818 28.200 0.43 44.45 H new ATOM 0 HE BARG A 803 17.412 24.565 29.578 0.57 44.45 H new ATOM 0 HH11AARG A 803 17.355 24.588 31.384 0.43 50.44 H new ATOM 0 HH11BARG A 803 19.267 23.973 32.288 0.57 50.44 H new ATOM 0 HH12AARG A 803 15.898 24.393 31.144 0.43 50.44 H new ATOM 0 HH12BARG A 803 18.101 23.697 33.172 0.57 50.44 H new ATOM 0 HH21AARG A 803 16.039 24.539 27.863 0.43 58.10 H new ATOM 0 HH21BARG A 803 15.750 24.116 30.913 0.57 58.10 H new ATOM 0 HH22AARG A 803 15.105 24.364 29.010 0.43 58.10 H new ATOM 0 HH22BARG A 803 15.984 23.779 32.345 0.57 58.10 H new ATOM 870 N GLU A 804 20.178 29.607 30.434 1.00 37.96 N ATOM 871 CA GLU A 804 20.220 30.227 31.771 1.00 44.73 C ATOM 872 C GLU A 804 20.310 29.121 32.820 1.00 39.22 C ATOM 873 O GLU A 804 19.550 28.182 32.783 1.00 39.80 O ATOM 874 CB GLU A 804 18.952 31.066 31.988 1.00 51.91 C ATOM 875 CG GLU A 804 18.961 31.879 33.278 1.00 68.02 C ATOM 876 CD GLU A 804 17.636 32.618 33.502 1.00 81.82 C ATOM 877 OE1 GLU A 804 16.972 33.026 32.500 1.00 71.94 O ATOM 878 OE2 GLU A 804 17.258 32.776 34.691 1.00 86.77 O ATOM 0 H GLU A 804 19.477 29.791 29.970 1.00 37.96 H new ATOM 0 HA GLU A 804 20.993 30.809 31.847 1.00 44.73 H new ATOM 0 HB2 GLU A 804 18.842 31.670 31.237 1.00 51.91 H new ATOM 0 HB3 GLU A 804 18.182 30.476 31.993 1.00 51.91 H new ATOM 0 HG2 GLU A 804 19.133 31.290 34.029 1.00 68.02 H new ATOM 0 HG3 GLU A 804 19.687 32.521 33.249 1.00 68.02 H new ATOM 879 N GLY A 805 21.261 29.227 33.732 1.00 38.49 N ATOM 880 CA GLY A 805 21.407 28.265 34.809 1.00 42.43 C ATOM 881 C GLY A 805 22.223 26.997 34.508 1.00 45.83 C ATOM 882 O GLY A 805 22.282 26.091 35.358 1.00 42.31 O ATOM 0 H GLY A 805 21.842 29.861 33.744 1.00 38.49 H new ATOM 0 HA2 GLY A 805 21.819 28.716 35.562 1.00 42.43 H new ATOM 0 HA3 GLY A 805 20.520 27.992 35.092 1.00 42.43 H new ATOM 883 N SER A 806 22.853 26.930 33.322 1.00 39.16 N ATOM 884 CA SER A 806 23.670 25.771 32.929 1.00 37.94 C ATOM 885 C SER A 806 24.963 26.233 32.302 1.00 36.25 C ATOM 886 O SER A 806 25.009 27.263 31.626 1.00 34.82 O ATOM 887 CB SER A 806 22.911 24.891 31.892 1.00 41.55 C ATOM 888 OG SER A 806 21.950 24.087 32.514 1.00 44.23 O ATOM 0 H SER A 806 22.818 27.552 32.729 1.00 39.16 H new ATOM 0 HA SER A 806 23.852 25.252 33.728 1.00 37.94 H new ATOM 0 HB2 SER A 806 22.483 25.460 31.234 1.00 41.55 H new ATOM 0 HB3 SER A 806 23.544 24.332 31.415 1.00 41.55 H new ATOM 0 HG SER A 806 21.822 23.396 32.054 1.00 44.23 H new ATOM 889 N GLN A 807 25.979 25.413 32.475 1.00 37.29 N ATOM 890 CA GLN A 807 27.228 25.555 31.811 1.00 44.35 C ATOM 891 C GLN A 807 27.401 24.381 30.839 1.00 40.30 C ATOM 892 O GLN A 807 27.055 23.217 31.152 1.00 34.17 O ATOM 893 CB GLN A 807 28.351 25.581 32.849 1.00 54.85 C ATOM 894 CG GLN A 807 28.578 26.943 33.510 1.00 70.17 C ATOM 895 CD GLN A 807 29.126 27.988 32.536 1.00 82.79 C ATOM 896 OE1 GLN A 807 30.018 27.686 31.737 1.00 81.93 O ATOM 897 NE2 GLN A 807 28.577 29.219 32.582 1.00 89.46 N ATOM 0 H GLN A 807 25.948 24.736 33.005 1.00 37.29 H new ATOM 0 HA GLN A 807 27.259 26.385 31.310 1.00 44.35 H new ATOM 0 HB2 GLN A 807 28.152 24.929 33.539 1.00 54.85 H new ATOM 0 HB3 GLN A 807 29.176 25.300 32.423 1.00 54.85 H new ATOM 0 HG2 GLN A 807 27.741 27.261 33.882 1.00 70.17 H new ATOM 0 HG3 GLN A 807 29.197 26.840 34.250 1.00 70.17 H new ATOM 0 HE21 GLN A 807 27.957 29.392 33.153 1.00 89.46 H new ATOM 0 HE22 GLN A 807 28.847 29.831 32.041 1.00 89.46 H new ATOM 898 N GLY A 808 27.965 24.679 29.673 1.00 32.47 N ATOM 899 CA GLY A 808 28.259 23.642 28.668 1.00 35.23 C ATOM 900 C GLY A 808 29.276 22.586 29.159 1.00 35.68 C ATOM 901 O GLY A 808 30.033 22.840 30.086 1.00 32.84 O ATOM 0 H GLY A 808 28.188 25.475 29.437 1.00 32.47 H new ATOM 0 HA2 GLY A 808 27.433 23.197 28.421 1.00 35.23 H new ATOM 0 HA3 GLY A 808 28.604 24.066 27.866 1.00 35.23 H new ATOM 902 N PRO A 809 29.277 21.379 28.554 1.00 29.60 N ATOM 903 CA PRO A 809 30.244 20.344 28.978 1.00 29.24 C ATOM 904 C PRO A 809 31.678 20.696 28.633 1.00 31.30 C ATOM 905 O PRO A 809 31.965 21.348 27.591 1.00 32.68 O ATOM 906 CB PRO A 809 29.784 19.101 28.208 1.00 30.05 C ATOM 907 CG PRO A 809 29.086 19.639 26.989 1.00 30.04 C ATOM 908 CD PRO A 809 28.379 20.899 27.514 1.00 29.07 C ATOM 0 HA PRO A 809 30.252 20.229 29.941 1.00 29.24 H new ATOM 0 HB2 PRO A 809 30.537 18.540 27.964 1.00 30.05 H new ATOM 0 HB3 PRO A 809 29.186 18.556 28.744 1.00 30.05 H new ATOM 0 HG2 PRO A 809 29.714 19.850 26.281 1.00 30.04 H new ATOM 0 HG3 PRO A 809 28.454 18.999 26.626 1.00 30.04 H new ATOM 0 HD2 PRO A 809 28.257 21.559 26.814 1.00 29.07 H new ATOM 0 HD3 PRO A 809 27.499 20.695 27.867 1.00 29.07 H new ATOM 909 N GLN A 810 32.580 20.185 29.470 1.00 37.09 N ATOM 910 CA GLN A 810 34.029 20.327 29.242 1.00 39.50 C ATOM 911 C GLN A 810 34.448 19.711 27.923 1.00 38.71 C ATOM 912 O GLN A 810 35.364 20.237 27.278 1.00 34.41 O ATOM 913 CB GLN A 810 34.858 19.630 30.320 1.00 46.00 C ATOM 914 CG GLN A 810 34.549 20.042 31.747 1.00 59.82 C ATOM 915 CD GLN A 810 34.827 21.496 31.998 1.00 68.77 C ATOM 916 OE1 GLN A 810 35.939 21.971 31.789 1.00 79.28 O ATOM 917 NE2 GLN A 810 33.810 22.217 32.436 1.00 78.12 N ATOM 0 H GLN A 810 32.377 19.748 30.182 1.00 37.09 H new ATOM 0 HA GLN A 810 34.193 21.283 29.253 1.00 39.50 H new ATOM 0 HB2 GLN A 810 34.725 18.672 30.240 1.00 46.00 H new ATOM 0 HB3 GLN A 810 35.797 19.802 30.146 1.00 46.00 H new ATOM 0 HG2 GLN A 810 33.617 19.856 31.940 1.00 59.82 H new ATOM 0 HG3 GLN A 810 35.078 19.505 32.357 1.00 59.82 H new ATOM 0 HE21 GLN A 810 33.046 21.846 32.570 1.00 78.12 H new ATOM 0 HE22 GLN A 810 33.912 23.057 32.587 1.00 78.12 H new ATOM 918 N LYS A 811 33.801 18.597 27.528 1.00 29.24 N ATOM 919 CA LYS A 811 34.200 17.893 26.317 1.00 26.60 C ATOM 920 C LYS A 811 33.018 17.578 25.436 1.00 25.01 C ATOM 921 O LYS A 811 32.375 16.514 25.583 1.00 22.85 O ATOM 922 CB LYS A 811 34.954 16.651 26.675 1.00 32.36 C ATOM 923 CG LYS A 811 35.515 15.986 25.397 1.00 39.07 C ATOM 924 CD LYS A 811 36.419 14.794 25.731 1.00 41.65 C ATOM 925 CE LYS A 811 36.596 13.853 24.549 1.00 48.95 C ATOM 926 NZ LYS A 811 36.984 12.533 25.119 1.00 54.78 N ATOM 0 H LYS A 811 33.138 18.245 27.948 1.00 29.24 H new ATOM 0 HA LYS A 811 34.782 18.477 25.806 1.00 26.60 H new ATOM 0 HB2 LYS A 811 35.680 16.868 27.281 1.00 32.36 H new ATOM 0 HB3 LYS A 811 34.370 16.032 27.141 1.00 32.36 H new ATOM 0 HG2 LYS A 811 34.781 15.689 24.837 1.00 39.07 H new ATOM 0 HG3 LYS A 811 36.016 16.640 24.885 1.00 39.07 H new ATOM 0 HD2 LYS A 811 37.287 15.119 26.015 1.00 41.65 H new ATOM 0 HD3 LYS A 811 36.041 14.304 26.478 1.00 41.65 H new ATOM 0 HE2 LYS A 811 35.775 13.781 24.038 1.00 48.95 H new ATOM 0 HE3 LYS A 811 37.279 14.183 23.944 1.00 48.95 H new ATOM 0 HZ1 LYS A 811 37.578 12.142 24.585 1.00 54.78 H new ATOM 0 HZ2 LYS A 811 37.343 12.651 25.925 1.00 54.78 H new ATOM 0 HZ3 LYS A 811 36.263 12.016 25.189 1.00 54.78 H new ATOM 927 N PRO A 812 32.682 18.487 24.546 1.00 24.41 N ATOM 928 CA PRO A 812 31.490 18.233 23.738 1.00 25.81 C ATOM 929 C PRO A 812 31.682 17.052 22.811 1.00 25.63 C ATOM 930 O PRO A 812 32.790 16.774 22.393 1.00 27.47 O ATOM 931 CB PRO A 812 31.360 19.549 22.898 1.00 25.72 C ATOM 932 CG PRO A 812 32.034 20.593 23.815 1.00 26.18 C ATOM 933 CD PRO A 812 33.235 19.838 24.296 1.00 25.59 C ATOM 0 HA PRO A 812 30.712 18.022 24.278 1.00 25.81 H new ATOM 0 HB2 PRO A 812 31.808 19.477 22.041 1.00 25.72 H new ATOM 0 HB3 PRO A 812 30.434 19.772 22.716 1.00 25.72 H new ATOM 0 HG2 PRO A 812 32.278 21.399 23.333 1.00 26.18 H new ATOM 0 HG3 PRO A 812 31.456 20.864 24.546 1.00 26.18 H new ATOM 0 HD2 PRO A 812 33.942 19.822 23.632 1.00 25.59 H new ATOM 0 HD3 PRO A 812 33.610 20.230 25.100 1.00 25.59 H new ATOM 934 N MET A 813 30.612 16.399 22.411 1.00 22.42 N ATOM 935 CA MET A 813 30.729 15.215 21.579 1.00 19.14 C ATOM 936 C MET A 813 29.437 15.087 20.791 1.00 20.10 C ATOM 937 O MET A 813 28.368 15.474 21.261 1.00 20.06 O ATOM 938 CB MET A 813 31.022 13.988 22.481 1.00 21.19 C ATOM 939 CG MET A 813 31.380 12.710 21.705 1.00 20.59 C ATOM 940 SD MET A 813 32.686 12.827 20.463 1.00 25.11 S ATOM 941 CE MET A 813 34.000 13.281 21.508 1.00 27.92 C ATOM 0 H MET A 813 29.805 16.622 22.609 1.00 22.42 H new ATOM 0 HA MET A 813 31.464 15.274 20.949 1.00 19.14 H new ATOM 0 HB2 MET A 813 31.753 14.206 23.080 1.00 21.19 H new ATOM 0 HB3 MET A 813 30.245 13.812 23.034 1.00 21.19 H new ATOM 0 HG2 MET A 813 31.639 12.032 22.348 1.00 20.59 H new ATOM 0 HG3 MET A 813 30.576 12.392 21.265 1.00 20.59 H new ATOM 0 HE1 MET A 813 34.833 13.251 21.012 1.00 27.92 H new ATOM 0 HE2 MET A 813 33.854 14.181 21.840 1.00 27.92 H new ATOM 0 HE3 MET A 813 34.047 12.665 22.256 1.00 27.92 H new ATOM 942 N TRP A 814 29.523 14.602 19.575 1.00 20.37 N ATOM 943 CA TRP A 814 28.343 14.424 18.740 1.00 18.04 C ATOM 944 C TRP A 814 28.570 13.279 17.769 1.00 17.70 C ATOM 945 O TRP A 814 29.748 12.837 17.600 1.00 18.52 O ATOM 946 CB TRP A 814 27.962 15.803 18.062 1.00 17.15 C ATOM 947 CG TRP A 814 29.031 16.389 17.208 1.00 18.98 C ATOM 948 CD1 TRP A 814 29.125 16.293 15.887 1.00 19.95 C ATOM 949 CD2 TRP A 814 30.131 17.177 17.634 1.00 18.94 C ATOM 950 NE1 TRP A 814 30.230 16.983 15.440 1.00 20.78 N ATOM 951 CE2 TRP A 814 30.821 17.587 16.494 1.00 21.20 C ATOM 952 CE3 TRP A 814 30.583 17.590 18.868 1.00 21.20 C ATOM 953 CZ2 TRP A 814 31.994 18.285 16.545 1.00 24.34 C ATOM 954 CZ3 TRP A 814 31.731 18.371 18.933 1.00 23.09 C ATOM 955 CH2 TRP A 814 32.448 18.679 17.772 1.00 24.57 C ATOM 0 H TRP A 814 30.261 14.365 19.203 1.00 20.37 H new ATOM 0 HA TRP A 814 27.572 14.168 19.270 1.00 18.04 H new ATOM 0 HB2 TRP A 814 27.166 15.676 17.522 1.00 17.15 H new ATOM 0 HB3 TRP A 814 27.734 16.440 18.757 1.00 17.15 H new ATOM 0 HD1 TRP A 814 28.531 15.828 15.343 1.00 19.95 H new ATOM 0 HE1 TRP A 814 30.499 17.023 14.624 1.00 20.78 H new ATOM 0 HE3 TRP A 814 30.128 17.351 19.643 1.00 21.20 H new ATOM 0 HZ2 TRP A 814 32.468 18.485 15.770 1.00 24.34 H new ATOM 0 HZ3 TRP A 814 32.025 18.691 19.755 1.00 23.09 H new ATOM 0 HH2 TRP A 814 33.243 19.157 17.836 1.00 24.57 H new ATOM 956 N LEU A 815 27.485 12.759 17.169 1.00 16.44 N ATOM 957 CA LEU A 815 27.553 11.529 16.359 1.00 18.40 C ATOM 958 C LEU A 815 28.441 11.683 15.141 1.00 21.49 C ATOM 959 O LEU A 815 29.204 10.761 14.823 1.00 17.04 O ATOM 960 CB LEU A 815 26.217 10.996 15.932 1.00 18.94 C ATOM 961 CG LEU A 815 25.260 10.617 17.087 1.00 18.64 C ATOM 962 CD1 LEU A 815 23.856 10.419 16.532 1.00 19.17 C ATOM 963 CD2 LEU A 815 25.724 9.311 17.753 1.00 18.40 C ATOM 0 H LEU A 815 26.699 13.105 17.220 1.00 16.44 H new ATOM 0 HA LEU A 815 27.945 10.879 16.963 1.00 18.40 H new ATOM 0 HB2 LEU A 815 25.782 11.661 15.376 1.00 18.94 H new ATOM 0 HB3 LEU A 815 26.359 10.212 15.378 1.00 18.94 H new ATOM 0 HG LEU A 815 25.262 11.330 17.745 1.00 18.64 H new ATOM 0 HD11 LEU A 815 23.253 10.181 17.254 1.00 19.17 H new ATOM 0 HD12 LEU A 815 23.553 11.241 16.116 1.00 19.17 H new ATOM 0 HD13 LEU A 815 23.866 9.708 15.872 1.00 19.17 H new ATOM 0 HD21 LEU A 815 25.118 9.083 18.475 1.00 18.40 H new ATOM 0 HD22 LEU A 815 25.728 8.597 17.097 1.00 18.40 H new ATOM 0 HD23 LEU A 815 26.619 9.429 18.108 1.00 18.40 H new ATOM 964 N ASN A 816 28.406 12.851 14.489 1.00 21.36 N ATOM 965 CA ASN A 816 29.245 13.063 13.258 1.00 21.65 C ATOM 966 C ASN A 816 30.693 13.128 13.573 1.00 19.09 C ATOM 967 O ASN A 816 31.503 12.734 12.749 1.00 20.36 O ATOM 968 CB ASN A 816 28.825 14.301 12.436 1.00 22.48 C ATOM 969 CG ASN A 816 27.403 14.170 11.799 1.00 26.00 C ATOM 970 OD1 ASN A 816 26.840 13.089 11.634 1.00 25.59 O ATOM 971 ND2 ASN A 816 26.825 15.318 11.417 1.00 28.02 N ATOM 0 H ASN A 816 27.924 13.525 14.721 1.00 21.36 H new ATOM 0 HA ASN A 816 29.082 12.282 12.706 1.00 21.65 H new ATOM 0 HB2 ASN A 816 28.845 15.083 13.009 1.00 22.48 H new ATOM 0 HB3 ASN A 816 29.475 14.449 11.732 1.00 22.48 H new ATOM 0 HD21 ASN A 816 26.047 15.307 11.050 1.00 28.02 H new ATOM 0 HD22 ASN A 816 27.232 16.066 11.539 1.00 28.02 H new ATOM 972 N LYS A 817 31.058 13.599 14.744 1.00 17.37 N ATOM 973 CA LYS A 817 32.426 13.558 15.199 1.00 19.90 C ATOM 974 C LYS A 817 32.905 12.102 15.469 1.00 19.65 C ATOM 975 O LYS A 817 33.991 11.694 15.043 1.00 17.44 O ATOM 976 CB LYS A 817 32.604 14.389 16.454 1.00 21.62 C ATOM 977 CG LYS A 817 34.020 14.583 16.884 1.00 28.87 C ATOM 978 CD LYS A 817 34.043 15.399 18.151 1.00 32.80 C ATOM 979 CE LYS A 817 35.417 15.655 18.697 1.00 41.99 C ATOM 980 NZ LYS A 817 36.213 16.275 17.608 1.00 51.47 N ATOM 0 H LYS A 817 30.512 13.956 15.305 1.00 17.37 H new ATOM 0 HA LYS A 817 32.969 13.930 14.487 1.00 19.90 H new ATOM 0 HB2 LYS A 817 32.202 15.260 16.309 1.00 21.62 H new ATOM 0 HB3 LYS A 817 32.115 13.967 17.178 1.00 21.62 H new ATOM 0 HG2 LYS A 817 34.446 13.724 17.031 1.00 28.87 H new ATOM 0 HG3 LYS A 817 34.523 15.033 16.187 1.00 28.87 H new ATOM 0 HD2 LYS A 817 33.610 16.250 17.983 1.00 32.80 H new ATOM 0 HD3 LYS A 817 33.518 14.942 18.827 1.00 32.80 H new ATOM 0 HE2 LYS A 817 35.375 16.242 19.468 1.00 41.99 H new ATOM 0 HE3 LYS A 817 35.828 14.828 18.993 1.00 41.99 H new ATOM 0 HZ1 LYS A 817 36.914 16.698 17.956 1.00 51.47 H new ATOM 0 HZ2 LYS A 817 36.496 15.642 17.050 1.00 51.47 H new ATOM 0 HZ3 LYS A 817 35.706 16.857 17.164 1.00 51.47 H new ATOM 981 N VAL A 818 32.063 11.312 16.050 1.00 16.99 N ATOM 982 CA VAL A 818 32.378 9.868 16.274 1.00 19.33 C ATOM 983 C VAL A 818 32.462 9.164 14.936 1.00 21.39 C ATOM 984 O VAL A 818 33.368 8.386 14.728 1.00 19.27 O ATOM 985 CB VAL A 818 31.308 9.172 17.133 1.00 18.17 C ATOM 986 CG1 VAL A 818 31.571 7.692 17.246 1.00 20.16 C ATOM 987 CG2 VAL A 818 31.332 9.768 18.554 1.00 19.60 C ATOM 0 H VAL A 818 31.290 11.558 16.337 1.00 16.99 H new ATOM 0 HA VAL A 818 33.224 9.820 16.746 1.00 19.33 H new ATOM 0 HB VAL A 818 30.448 9.311 16.707 1.00 18.17 H new ATOM 0 HG11 VAL A 818 30.882 7.281 17.792 1.00 20.16 H new ATOM 0 HG12 VAL A 818 31.563 7.293 16.362 1.00 20.16 H new ATOM 0 HG13 VAL A 818 32.438 7.548 17.657 1.00 20.16 H new ATOM 0 HG21 VAL A 818 30.659 9.332 19.099 1.00 19.60 H new ATOM 0 HG22 VAL A 818 32.207 9.629 18.949 1.00 19.60 H new ATOM 0 HG23 VAL A 818 31.145 10.719 18.510 1.00 19.60 H new ATOM 988 N LYS A 819 31.556 9.494 14.003 1.00 18.49 N ATOM 989 CA LYS A 819 31.650 8.970 12.641 1.00 20.87 C ATOM 990 C LYS A 819 33.008 9.267 11.959 1.00 22.62 C ATOM 991 O LYS A 819 33.676 8.376 11.413 1.00 21.94 O ATOM 992 CB LYS A 819 30.497 9.468 11.784 1.00 22.17 C ATOM 993 CG LYS A 819 30.491 8.870 10.406 1.00 26.21 C ATOM 994 CD LYS A 819 29.329 9.361 9.558 1.00 30.22 C ATOM 995 CE LYS A 819 28.082 8.608 9.756 1.00 32.41 C ATOM 996 NZ LYS A 819 27.083 8.884 8.692 1.00 41.64 N ATOM 0 H LYS A 819 30.887 10.016 14.142 1.00 18.49 H new ATOM 0 HA LYS A 819 31.590 8.005 12.721 1.00 20.87 H new ATOM 0 HB2 LYS A 819 29.659 9.260 12.225 1.00 22.17 H new ATOM 0 HB3 LYS A 819 30.547 10.434 11.712 1.00 22.17 H new ATOM 0 HG2 LYS A 819 31.325 9.085 9.960 1.00 26.21 H new ATOM 0 HG3 LYS A 819 30.449 7.904 10.477 1.00 26.21 H new ATOM 0 HD2 LYS A 819 29.167 10.296 9.759 1.00 30.22 H new ATOM 0 HD3 LYS A 819 29.580 9.312 8.622 1.00 30.22 H new ATOM 0 HE2 LYS A 819 28.279 7.658 9.773 1.00 32.41 H new ATOM 0 HE3 LYS A 819 27.703 8.835 10.620 1.00 32.41 H new ATOM 0 HZ1 LYS A 819 26.345 8.411 8.847 1.00 41.64 H new ATOM 0 HZ2 LYS A 819 26.884 9.751 8.689 1.00 41.64 H new ATOM 0 HZ3 LYS A 819 27.421 8.655 7.901 1.00 41.64 H new ATOM 997 N THR A 820 33.452 10.495 12.070 1.00 22.84 N ATOM 998 CA THR A 820 34.746 10.857 11.508 1.00 24.60 C ATOM 999 C THR A 820 35.919 10.132 12.166 1.00 23.09 C ATOM 1000 O THR A 820 36.837 9.695 11.492 1.00 23.63 O ATOM 1001 CB THR A 820 34.850 12.368 11.600 1.00 25.19 C ATOM 1002 OG1 THR A 820 33.898 12.845 10.650 1.00 28.50 O ATOM 1003 CG2 THR A 820 36.209 12.848 11.256 1.00 35.34 C ATOM 0 H THR A 820 33.031 11.135 12.461 1.00 22.84 H new ATOM 0 HA THR A 820 34.801 10.569 10.583 1.00 24.60 H new ATOM 0 HB THR A 820 34.679 12.685 12.501 1.00 25.19 H new ATOM 0 HG1 THR A 820 33.145 12.909 11.016 1.00 28.50 H new ATOM 0 HG21 THR A 820 36.238 13.815 11.325 1.00 35.34 H new ATOM 0 HG22 THR A 820 36.854 12.461 11.868 1.00 35.34 H new ATOM 0 HG23 THR A 820 36.426 12.583 10.349 1.00 35.34 H new ATOM 1004 N SER A 821 35.866 10.043 13.481 1.00 21.48 N ATOM 1005 CA SER A 821 36.865 9.377 14.272 1.00 25.26 C ATOM 1006 C SER A 821 36.999 7.896 13.873 1.00 23.15 C ATOM 1007 O SER A 821 38.122 7.407 13.713 1.00 22.44 O ATOM 1008 CB SER A 821 36.542 9.543 15.761 1.00 27.65 C ATOM 1009 OG SER A 821 36.729 10.892 16.190 1.00 27.58 O ATOM 0 H SER A 821 35.227 10.380 13.948 1.00 21.48 H new ATOM 0 HA SER A 821 37.727 9.788 14.101 1.00 25.26 H new ATOM 0 HB2 SER A 821 35.625 9.274 15.926 1.00 27.65 H new ATOM 0 HB3 SER A 821 37.109 8.955 16.284 1.00 27.65 H new ATOM 0 HG SER A 821 36.065 11.353 15.961 1.00 27.58 H new ATOM 1010 N LEU A 822 35.894 7.207 13.634 1.00 21.69 N ATOM 1011 CA LEU A 822 35.944 5.833 13.162 1.00 25.35 C ATOM 1012 C LEU A 822 36.494 5.730 11.792 1.00 28.09 C ATOM 1013 O LEU A 822 37.261 4.837 11.497 1.00 29.94 O ATOM 1014 CB LEU A 822 34.541 5.210 13.094 1.00 25.07 C ATOM 1015 CG LEU A 822 34.011 4.580 14.290 1.00 25.33 C ATOM 1016 CD1 LEU A 822 32.548 4.220 13.974 1.00 25.30 C ATOM 1017 CD2 LEU A 822 34.806 3.316 14.679 1.00 25.36 C ATOM 0 H LEU A 822 35.100 7.519 13.740 1.00 21.69 H new ATOM 0 HA LEU A 822 36.511 5.370 13.798 1.00 25.35 H new ATOM 0 HB2 LEU A 822 33.921 5.906 12.826 1.00 25.07 H new ATOM 0 HB3 LEU A 822 34.546 4.546 12.387 1.00 25.07 H new ATOM 0 HG LEU A 822 34.079 5.183 15.047 1.00 25.33 H new ATOM 0 HD11 LEU A 822 32.145 3.793 14.747 1.00 25.30 H new ATOM 0 HD12 LEU A 822 32.055 5.027 13.758 1.00 25.30 H new ATOM 0 HD13 LEU A 822 32.520 3.612 13.218 1.00 25.30 H new ATOM 0 HD21 LEU A 822 34.422 2.926 15.480 1.00 25.36 H new ATOM 0 HD22 LEU A 822 34.765 2.672 13.955 1.00 25.36 H new ATOM 0 HD23 LEU A 822 35.731 3.554 14.847 1.00 25.36 H new ATOM 1018 N ASN A 823 36.068 6.631 10.928 1.00 32.39 N ATOM 1019 CA ASN A 823 36.549 6.650 9.551 1.00 33.31 C ATOM 1020 C ASN A 823 38.063 6.862 9.474 1.00 33.15 C ATOM 1021 O ASN A 823 38.722 6.235 8.653 1.00 35.82 O ATOM 1022 CB ASN A 823 35.804 7.715 8.773 1.00 33.79 C ATOM 1023 CG ASN A 823 36.303 7.876 7.339 1.00 43.90 C ATOM 1024 OD1 ASN A 823 36.832 8.934 6.973 1.00 53.64 O ATOM 1025 ND2 ASN A 823 36.128 6.857 6.531 1.00 36.81 N ATOM 0 H ASN A 823 35.497 7.246 11.115 1.00 32.39 H new ATOM 0 HA ASN A 823 36.374 5.783 9.153 1.00 33.31 H new ATOM 0 HB2 ASN A 823 34.860 7.494 8.757 1.00 33.79 H new ATOM 0 HB3 ASN A 823 35.889 8.563 9.235 1.00 33.79 H new ATOM 0 HD21 ASN A 823 36.385 6.909 5.712 1.00 36.81 H new ATOM 0 HD22 ASN A 823 35.757 6.137 6.821 1.00 36.81 H new ATOM 1026 N GLU A 824 38.598 7.712 10.335 1.00 30.02 N ATOM 1027 CA GLU A 824 40.010 8.056 10.345 1.00 32.23 C ATOM 1028 C GLU A 824 40.798 7.107 11.266 1.00 29.68 C ATOM 1029 O GLU A 824 41.924 7.396 11.559 1.00 30.84 O ATOM 1030 CB GLU A 824 40.204 9.526 10.745 1.00 35.64 C ATOM 1031 CG GLU A 824 39.698 10.449 9.614 1.00 48.44 C ATOM 1032 CD GLU A 824 39.631 11.957 9.957 1.00 71.62 C ATOM 1033 OE1 GLU A 824 40.128 12.379 11.040 1.00 80.72 O ATOM 1034 OE2 GLU A 824 39.070 12.748 9.118 1.00 89.23 O ATOM 0 H GLU A 824 38.141 8.114 10.943 1.00 30.02 H new ATOM 0 HA GLU A 824 40.361 7.946 9.447 1.00 32.23 H new ATOM 0 HB2 GLU A 824 39.722 9.713 11.566 1.00 35.64 H new ATOM 0 HB3 GLU A 824 41.142 9.701 10.921 1.00 35.64 H new ATOM 0 HG2 GLU A 824 40.276 10.335 8.843 1.00 48.44 H new ATOM 0 HG3 GLU A 824 38.812 10.154 9.351 1.00 48.44 H new ATOM 1035 N GLN A 825 40.174 6.020 11.726 1.00 28.59 N ATOM 1036 CA GLN A 825 40.800 5.039 12.613 1.00 27.33 C ATOM 1037 C GLN A 825 41.483 5.612 13.821 1.00 28.47 C ATOM 1038 O GLN A 825 42.623 5.281 14.052 1.00 29.30 O ATOM 1039 CB GLN A 825 41.804 4.184 11.797 1.00 30.63 C ATOM 1040 CG GLN A 825 41.152 3.407 10.668 1.00 35.34 C ATOM 1041 CD GLN A 825 42.113 3.020 9.516 1.00 39.67 C ATOM 1042 OE1 GLN A 825 42.909 3.821 9.026 1.00 40.45 O ATOM 1043 NE2 GLN A 825 41.997 1.814 9.073 1.00 36.52 N ATOM 0 H GLN A 825 39.359 5.830 11.527 1.00 28.59 H new ATOM 0 HA GLN A 825 40.074 4.500 12.966 1.00 27.33 H new ATOM 0 HB2 GLN A 825 42.489 4.764 11.429 1.00 30.63 H new ATOM 0 HB3 GLN A 825 42.250 3.563 12.394 1.00 30.63 H new ATOM 0 HG2 GLN A 825 40.759 2.598 11.032 1.00 35.34 H new ATOM 0 HG3 GLN A 825 40.425 3.936 10.304 1.00 35.34 H new ATOM 0 HE21 GLN A 825 41.432 1.276 9.435 1.00 36.52 H new ATOM 0 HE22 GLN A 825 42.484 1.548 8.416 1.00 36.52 H new ATOM 1044 N MET A 826 40.813 6.465 14.591 1.00 25.24 N ATOM 1045 CA AMET A 826 41.408 7.116 15.725 0.53 26.77 C ATOM 1046 CA BMET A 826 41.379 7.160 15.730 0.47 28.14 C ATOM 1047 C MET A 826 41.201 6.326 16.982 1.00 27.41 C ATOM 1048 O MET A 826 41.812 6.615 17.979 1.00 28.20 O ATOM 1049 CB AMET A 826 40.808 8.523 15.941 0.53 29.64 C ATOM 1050 CB BMET A 826 40.705 8.555 15.994 0.47 32.86 C ATOM 1051 CG AMET A 826 41.032 9.441 14.761 0.53 32.16 C ATOM 1052 CG BMET A 826 40.907 9.644 14.934 0.47 39.03 C ATOM 1053 SD AMET A 826 42.738 9.963 14.560 0.53 39.76 S ATOM 1054 SD BMET A 826 40.215 11.292 15.377 0.47 52.06 S ATOM 1055 CE AMET A 826 43.033 10.982 16.012 0.53 38.39 C ATOM 1056 CE BMET A 826 39.943 11.998 13.762 0.47 50.71 C ATOM 0 H AMET A 826 39.990 6.677 14.459 0.53 25.24 H new ATOM 0 H BMET A 826 39.986 6.659 14.455 0.47 25.24 H new ATOM 0 HA AMET A 826 42.357 7.186 15.534 0.53 28.14 H new ATOM 0 HA BMET A 826 42.316 7.302 15.521 0.47 28.14 H new ATOM 0 HB2AMET A 826 39.856 8.442 16.107 0.53 32.86 H new ATOM 0 HB2BMET A 826 39.751 8.413 16.100 0.47 32.86 H new ATOM 0 HB3AMET A 826 41.201 8.920 16.734 0.53 32.86 H new ATOM 0 HB3BMET A 826 41.037 8.894 16.840 0.47 32.86 H new ATOM 0 HG2AMET A 826 40.743 8.990 13.952 0.53 39.03 H new ATOM 0 HG2BMET A 826 41.857 9.741 14.765 0.47 39.03 H new ATOM 0 HG3AMET A 826 40.472 10.227 14.863 0.53 39.03 H new ATOM 0 HG3BMET A 826 40.500 9.349 14.104 0.47 39.03 H new ATOM 0 HE1AMET A 826 43.858 11.478 15.897 0.53 50.71 H new ATOM 0 HE1BMET A 826 39.527 12.869 13.855 0.47 50.71 H new ATOM 0 HE2AMET A 826 42.296 11.603 16.127 0.53 50.71 H new ATOM 0 HE2BMET A 826 40.792 12.093 13.303 0.47 50.71 H new ATOM 0 HE3AMET A 826 43.104 10.416 16.796 0.53 50.71 H new ATOM 0 HE3BMET A 826 39.361 11.416 13.248 0.47 50.71 H new ATOM 1057 N TYR A 827 40.323 5.343 16.957 1.00 24.42 N ATOM 1058 CA TYR A 827 40.117 4.533 18.168 1.00 24.83 C ATOM 1059 C TYR A 827 40.934 3.269 18.057 1.00 26.59 C ATOM 1060 O TYR A 827 40.833 2.608 17.061 1.00 27.77 O ATOM 1061 CB TYR A 827 38.649 4.125 18.354 1.00 22.90 C ATOM 1062 CG TYR A 827 37.666 5.286 18.452 1.00 22.14 C ATOM 1063 CD1 TYR A 827 37.716 6.171 19.509 1.00 21.94 C ATOM 1064 CD2 TYR A 827 36.664 5.476 17.461 1.00 21.31 C ATOM 1065 CE1 TYR A 827 36.821 7.220 19.601 1.00 22.48 C ATOM 1066 CE2 TYR A 827 35.766 6.501 17.546 1.00 22.54 C ATOM 1067 CZ TYR A 827 35.856 7.385 18.587 1.00 21.86 C ATOM 1068 OH TYR A 827 34.939 8.392 18.668 1.00 21.65 O ATOM 0 H TYR A 827 39.844 5.123 16.278 1.00 24.42 H new ATOM 0 HA TYR A 827 40.386 5.074 18.927 1.00 24.83 H new ATOM 0 HB2 TYR A 827 38.388 3.559 17.611 1.00 22.90 H new ATOM 0 HB3 TYR A 827 38.576 3.588 19.158 1.00 22.90 H new ATOM 0 HD1 TYR A 827 38.361 6.060 20.169 1.00 21.94 H new ATOM 0 HD2 TYR A 827 36.619 4.890 16.740 1.00 21.31 H new ATOM 0 HE1 TYR A 827 36.855 7.808 20.321 1.00 22.48 H new ATOM 0 HE2 TYR A 827 35.100 6.597 16.904 1.00 22.54 H new ATOM 0 HH TYR A 827 35.070 8.835 19.369 1.00 21.65 H new ATOM 1069 N THR A 828 41.760 2.969 19.072 1.00 23.27 N ATOM 1070 CA THR A 828 42.567 1.800 19.050 1.00 22.01 C ATOM 1071 C THR A 828 41.875 0.630 19.742 1.00 22.73 C ATOM 1072 O THR A 828 42.261 -0.496 19.513 1.00 22.27 O ATOM 1073 CB THR A 828 43.918 2.048 19.734 1.00 24.43 C ATOM 1074 OG1 THR A 828 43.723 2.481 21.076 1.00 26.70 O ATOM 1075 CG2 THR A 828 44.674 3.038 19.009 1.00 25.96 C ATOM 0 H THR A 828 41.850 3.451 19.778 1.00 23.27 H new ATOM 0 HA THR A 828 42.711 1.578 18.117 1.00 22.01 H new ATOM 0 HB THR A 828 44.414 1.214 19.740 1.00 24.43 H new ATOM 0 HG1 THR A 828 44.469 2.612 21.440 1.00 26.70 H new ATOM 0 HG21 THR A 828 45.524 3.184 19.452 1.00 25.96 H new ATOM 0 HG22 THR A 828 44.831 2.727 18.104 1.00 25.96 H new ATOM 0 HG23 THR A 828 44.176 3.870 18.982 1.00 25.96 H new ATOM 1076 N ARG A 829 40.940 0.924 20.648 1.00 20.83 N ATOM 1077 CA AARG A 829 40.163 -0.097 21.335 0.23 22.48 C ATOM 1078 CA BARG A 829 40.168 -0.086 21.366 0.77 23.29 C ATOM 1079 C ARG A 829 38.669 0.247 21.310 1.00 22.23 C ATOM 1080 O ARG A 829 38.297 1.409 21.197 1.00 20.21 O ATOM 1081 CB AARG A 829 40.676 -0.249 22.777 0.23 24.05 C ATOM 1082 CB BARG A 829 40.621 -0.131 22.842 0.77 25.56 C ATOM 1083 CG AARG A 829 42.101 -0.821 22.810 0.23 24.85 C ATOM 1084 CG BARG A 829 41.944 -0.936 23.018 0.77 27.15 C ATOM 1085 CD AARG A 829 42.689 -1.080 24.187 0.23 26.23 C ATOM 1086 CD BARG A 829 42.512 -0.858 24.412 0.77 29.85 C ATOM 1087 NE AARG A 829 43.703 -2.134 24.051 0.23 27.71 N ATOM 1088 NE BARG A 829 43.975 -1.091 24.375 0.77 32.38 N ATOM 1089 CZ AARG A 829 45.022 -1.966 23.945 0.23 27.24 C ATOM 1090 CZ BARG A 829 44.600 -2.276 24.337 0.77 36.66 C ATOM 1091 NH1AARG A 829 45.581 -0.772 24.043 0.23 25.30 N ATOM 1092 NH1BARG A 829 43.948 -3.476 24.377 0.77 33.63 N ATOM 1093 NH2AARG A 829 45.795 -3.034 23.767 0.23 27.06 N ATOM 1094 NH2BARG A 829 45.928 -2.258 24.246 0.77 36.90 N ATOM 0 H AARG A 829 40.741 1.728 20.879 0.23 20.83 H new ATOM 0 H BARG A 829 40.735 1.731 20.864 0.77 20.83 H new ATOM 0 HA AARG A 829 40.273 -0.944 20.875 0.23 23.29 H new ATOM 0 HA BARG A 829 40.318 -0.948 20.947 0.77 23.29 H new ATOM 0 HB2AARG A 829 40.662 0.614 23.219 0.23 25.56 H new ATOM 0 HB2BARG A 829 40.747 0.773 23.169 0.77 25.56 H new ATOM 0 HB3AARG A 829 40.081 -0.832 23.274 0.23 25.56 H new ATOM 0 HB3BARG A 829 39.923 -0.534 23.382 0.77 25.56 H new ATOM 0 HG2AARG A 829 42.106 -1.655 22.315 0.23 27.15 H new ATOM 0 HG2BARG A 829 41.781 -1.866 22.794 0.77 27.15 H new ATOM 0 HG3AARG A 829 42.687 -0.208 22.339 0.23 27.15 H new ATOM 0 HG3BARG A 829 42.603 -0.604 22.389 0.77 27.15 H new ATOM 0 HD2AARG A 829 43.086 -0.271 24.545 0.23 29.85 H new ATOM 0 HD2BARG A 829 42.325 0.012 24.798 0.77 29.85 H new ATOM 0 HD3AARG A 829 41.995 -1.354 24.807 0.23 29.85 H new ATOM 0 HD3BARG A 829 42.086 -1.518 24.981 0.77 29.85 H new ATOM 0 HE AARG A 829 43.416 -2.945 24.038 0.23 32.38 H new ATOM 0 HE BARG A 829 44.476 -0.392 24.378 0.77 32.38 H new ATOM 0 HH11AARG A 829 45.092 -0.078 24.179 0.23 33.63 H new ATOM 0 HH11BARG A 829 43.090 -3.498 24.429 0.77 33.63 H new ATOM 0 HH12AARG A 829 46.434 -0.689 23.971 0.23 33.63 H new ATOM 0 HH12BARG A 829 44.396 -4.210 24.350 0.77 33.63 H new ATOM 0 HH21AARG A 829 45.443 -3.817 23.722 0.23 36.90 H new ATOM 0 HH21BARG A 829 46.347 -1.507 24.214 0.77 36.90 H new ATOM 0 HH22AARG A 829 46.647 -2.941 23.697 0.23 36.90 H new ATOM 0 HH22BARG A 829 46.367 -2.997 24.219 0.77 36.90 H new ATOM 1095 N VAL A 830 37.841 -0.766 21.480 1.00 19.28 N ATOM 1096 CA VAL A 830 36.383 -0.604 21.565 1.00 18.74 C ATOM 1097 C VAL A 830 35.951 0.431 22.619 1.00 20.34 C ATOM 1098 O VAL A 830 34.991 1.255 22.402 1.00 18.86 O ATOM 1099 CB VAL A 830 35.680 -1.924 21.790 1.00 17.05 C ATOM 1100 CG1 VAL A 830 34.200 -1.713 22.069 1.00 19.34 C ATOM 1101 CG2 VAL A 830 35.801 -2.809 20.590 1.00 19.88 C ATOM 0 H VAL A 830 38.103 -1.582 21.551 1.00 19.28 H new ATOM 0 HA VAL A 830 36.108 -0.258 20.701 1.00 18.74 H new ATOM 0 HB VAL A 830 36.106 -2.342 22.555 1.00 17.05 H new ATOM 0 HG11 VAL A 830 33.771 -2.572 22.210 1.00 19.34 H new ATOM 0 HG12 VAL A 830 34.095 -1.166 22.863 1.00 19.34 H new ATOM 0 HG13 VAL A 830 33.788 -1.267 21.313 1.00 19.34 H new ATOM 0 HG21 VAL A 830 35.343 -3.647 20.759 1.00 19.88 H new ATOM 0 HG22 VAL A 830 35.400 -2.371 19.823 1.00 19.88 H new ATOM 0 HG23 VAL A 830 36.738 -2.983 20.409 1.00 19.88 H new ATOM 1102 N GLU A 831 36.631 0.393 23.760 1.00 19.21 N ATOM 1103 CA GLU A 831 36.465 1.343 24.845 1.00 22.05 C ATOM 1104 C GLU A 831 36.463 2.842 24.423 1.00 20.43 C ATOM 1105 O GLU A 831 35.688 3.613 24.882 1.00 21.63 O ATOM 1106 CB GLU A 831 37.644 1.140 25.774 1.00 29.18 C ATOM 1107 CG GLU A 831 37.593 1.955 27.000 1.00 44.36 C ATOM 1108 CD GLU A 831 38.734 1.569 27.932 1.00 58.47 C ATOM 1109 OE1 GLU A 831 39.908 1.467 27.419 1.00 55.08 O ATOM 1110 OE2 GLU A 831 38.405 1.339 29.136 1.00 67.18 O ATOM 0 H GLU A 831 37.222 -0.209 23.926 1.00 19.21 H new ATOM 0 HA GLU A 831 35.596 1.173 25.240 1.00 22.05 H new ATOM 0 HB2 GLU A 831 37.690 0.203 26.022 1.00 29.18 H new ATOM 0 HB3 GLU A 831 38.461 1.347 25.294 1.00 29.18 H new ATOM 0 HG2 GLU A 831 37.655 2.896 26.774 1.00 44.36 H new ATOM 0 HG3 GLU A 831 36.742 1.826 27.448 1.00 44.36 H new ATOM 1111 N GLY A 832 37.303 3.189 23.488 1.00 20.80 N ATOM 1112 CA GLY A 832 37.419 4.550 22.913 1.00 21.20 C ATOM 1113 C GLY A 832 36.121 5.015 22.286 1.00 22.00 C ATOM 1114 O GLY A 832 35.633 6.116 22.581 1.00 21.18 O ATOM 0 H GLY A 832 37.857 2.631 23.139 1.00 20.80 H new ATOM 0 HA2 GLY A 832 37.682 5.173 23.609 1.00 21.20 H new ATOM 0 HA3 GLY A 832 38.121 4.559 22.244 1.00 21.20 H new ATOM 1115 N PHE A 833 35.552 4.135 21.489 1.00 19.92 N ATOM 1116 CA PHE A 833 34.353 4.384 20.767 1.00 20.03 C ATOM 1117 C PHE A 833 33.172 4.469 21.751 1.00 19.28 C ATOM 1118 O PHE A 833 32.411 5.410 21.706 1.00 17.70 O ATOM 1119 CB PHE A 833 34.144 3.302 19.695 1.00 18.27 C ATOM 1120 CG PHE A 833 32.769 3.263 19.121 1.00 18.46 C ATOM 1121 CD1 PHE A 833 32.357 4.242 18.212 1.00 18.05 C ATOM 1122 CD2 PHE A 833 31.857 2.258 19.514 1.00 19.17 C ATOM 1123 CE1 PHE A 833 31.061 4.272 17.715 1.00 19.73 C ATOM 1124 CE2 PHE A 833 30.521 2.293 19.013 1.00 20.00 C ATOM 1125 CZ PHE A 833 30.135 3.303 18.127 1.00 21.17 C ATOM 0 H PHE A 833 35.874 3.349 21.356 1.00 19.92 H new ATOM 0 HA PHE A 833 34.414 5.234 20.303 1.00 20.03 H new ATOM 0 HB2 PHE A 833 34.779 3.447 18.976 1.00 18.27 H new ATOM 0 HB3 PHE A 833 34.346 2.436 20.082 1.00 18.27 H new ATOM 0 HD1 PHE A 833 32.965 4.888 17.934 1.00 18.05 H new ATOM 0 HD2 PHE A 833 32.124 1.581 20.093 1.00 19.17 H new ATOM 0 HE1 PHE A 833 30.808 4.932 17.111 1.00 19.73 H new ATOM 0 HE2 PHE A 833 29.908 1.645 19.276 1.00 20.00 H new ATOM 0 HZ PHE A 833 29.261 3.332 17.810 1.00 21.17 H new ATOM 1126 N VAL A 834 33.070 3.488 22.648 1.00 20.34 N ATOM 1127 CA VAL A 834 31.962 3.396 23.609 1.00 20.19 C ATOM 1128 C VAL A 834 31.987 4.570 24.559 1.00 17.92 C ATOM 1129 O VAL A 834 30.950 5.134 24.828 1.00 17.67 O ATOM 1130 CB VAL A 834 31.969 2.034 24.357 1.00 20.00 C ATOM 1131 CG1 VAL A 834 30.987 2.030 25.533 1.00 22.28 C ATOM 1132 CG2 VAL A 834 31.678 0.897 23.393 1.00 19.32 C ATOM 0 H VAL A 834 33.644 2.852 22.719 1.00 20.34 H new ATOM 0 HA VAL A 834 31.127 3.435 23.117 1.00 20.19 H new ATOM 0 HB VAL A 834 32.856 1.901 24.726 1.00 20.00 H new ATOM 0 HG11 VAL A 834 31.016 1.168 25.977 1.00 22.28 H new ATOM 0 HG12 VAL A 834 31.233 2.726 26.163 1.00 22.28 H new ATOM 0 HG13 VAL A 834 30.089 2.194 25.205 1.00 22.28 H new ATOM 0 HG21 VAL A 834 31.686 0.055 23.874 1.00 19.32 H new ATOM 0 HG22 VAL A 834 30.806 1.030 22.989 1.00 19.32 H new ATOM 0 HG23 VAL A 834 32.356 0.879 22.699 1.00 19.32 H new ATOM 1133 N GLN A 835 33.153 4.977 25.034 1.00 19.84 N ATOM 1134 CA GLN A 835 33.288 6.180 25.873 1.00 20.92 C ATOM 1135 C GLN A 835 32.754 7.485 25.217 1.00 20.84 C ATOM 1136 O GLN A 835 32.030 8.243 25.864 1.00 18.97 O ATOM 1137 CB GLN A 835 34.742 6.432 26.340 1.00 25.12 C ATOM 1138 CG GLN A 835 35.078 5.500 27.484 1.00 27.50 C ATOM 1139 CD GLN A 835 36.555 5.423 27.889 1.00 35.21 C ATOM 1140 OE1 GLN A 835 37.465 5.908 27.198 1.00 36.82 O ATOM 1141 NE2 GLN A 835 36.781 4.785 29.046 1.00 40.90 N ATOM 0 H GLN A 835 33.895 4.569 24.884 1.00 19.84 H new ATOM 0 HA GLN A 835 32.728 5.975 26.638 1.00 20.92 H new ATOM 0 HB2 GLN A 835 35.357 6.289 25.604 1.00 25.12 H new ATOM 0 HB3 GLN A 835 34.846 7.354 26.621 1.00 25.12 H new ATOM 0 HG2 GLN A 835 34.564 5.773 28.260 1.00 27.50 H new ATOM 0 HG3 GLN A 835 34.781 4.608 27.247 1.00 27.50 H new ATOM 0 HE21 GLN A 835 36.122 4.463 29.495 1.00 40.90 H new ATOM 0 HE22 GLN A 835 37.585 4.698 29.339 1.00 40.90 H new ATOM 1142 N ASP A 836 33.141 7.777 24.001 1.00 21.47 N ATOM 1143 CA ASP A 836 32.616 8.882 23.282 1.00 22.23 C ATOM 1144 C ASP A 836 31.111 8.792 23.086 1.00 21.67 C ATOM 1145 O ASP A 836 30.482 9.775 23.302 1.00 19.66 O ATOM 1146 CB ASP A 836 33.276 9.100 21.926 1.00 22.62 C ATOM 1147 CG ASP A 836 34.671 9.773 22.036 1.00 25.74 C ATOM 1148 OD1 ASP A 836 35.031 10.214 23.167 1.00 25.77 O ATOM 1149 OD2 ASP A 836 35.373 9.817 20.932 1.00 27.19 O ATOM 0 H ASP A 836 33.729 7.324 23.567 1.00 21.47 H new ATOM 0 HA ASP A 836 32.821 9.645 23.844 1.00 22.23 H new ATOM 0 HB2 ASP A 836 33.368 8.246 21.475 1.00 22.62 H new ATOM 0 HB3 ASP A 836 32.698 9.651 21.375 1.00 22.62 H new ATOM 1150 N MET A 837 30.572 7.643 22.652 1.00 20.70 N ATOM 1151 CA MET A 837 29.129 7.437 22.528 1.00 18.91 C ATOM 1152 C MET A 837 28.408 7.741 23.823 1.00 19.60 C ATOM 1153 O MET A 837 27.439 8.582 23.807 1.00 19.93 O ATOM 1154 CB MET A 837 28.741 6.063 21.983 1.00 17.33 C ATOM 1155 CG MET A 837 29.242 5.777 20.540 1.00 19.55 C ATOM 1156 SD MET A 837 28.401 6.882 19.301 1.00 20.15 S ATOM 1157 CE MET A 837 26.810 6.101 19.250 1.00 19.89 C ATOM 0 H MET A 837 31.041 6.960 22.421 1.00 20.70 H new ATOM 0 HA MET A 837 28.836 8.075 21.859 1.00 18.91 H new ATOM 0 HB2 MET A 837 29.093 5.381 22.576 1.00 17.33 H new ATOM 0 HB3 MET A 837 27.775 5.982 22.000 1.00 17.33 H new ATOM 0 HG2 MET A 837 30.202 5.910 20.496 1.00 19.55 H new ATOM 0 HG3 MET A 837 29.074 4.849 20.315 1.00 19.55 H new ATOM 0 HE1 MET A 837 26.308 6.438 18.491 1.00 19.89 H new ATOM 0 HE2 MET A 837 26.923 5.142 19.163 1.00 19.89 H new ATOM 0 HE3 MET A 837 26.327 6.296 20.068 1.00 19.89 H new ATOM 1158 N ARG A 838 28.909 7.211 24.960 1.00 17.85 N ATOM 1159 CA ARG A 838 28.222 7.432 26.260 1.00 19.26 C ATOM 1160 C ARG A 838 28.338 8.888 26.698 1.00 18.69 C ATOM 1161 O ARG A 838 27.410 9.444 27.315 1.00 17.65 O ATOM 1162 CB ARG A 838 28.793 6.510 27.357 1.00 20.53 C ATOM 1163 CG ARG A 838 28.301 5.052 27.130 1.00 22.51 C ATOM 1164 CD ARG A 838 28.977 4.011 28.015 1.00 20.62 C ATOM 1165 NE ARG A 838 28.253 2.722 27.891 1.00 23.59 N ATOM 1166 CZ ARG A 838 28.711 1.562 28.382 1.00 27.19 C ATOM 1167 NH1 ARG A 838 29.925 1.525 28.974 1.00 22.69 N ATOM 1168 NH2 ARG A 838 27.966 0.452 28.266 1.00 27.28 N ATOM 0 H ARG A 838 29.624 6.734 25.003 1.00 17.85 H new ATOM 0 HA ARG A 838 27.285 7.217 26.132 1.00 19.26 H new ATOM 0 HB2 ARG A 838 29.762 6.539 27.343 1.00 20.53 H new ATOM 0 HB3 ARG A 838 28.513 6.822 28.232 1.00 20.53 H new ATOM 0 HG2 ARG A 838 27.344 5.018 27.284 1.00 22.51 H new ATOM 0 HG3 ARG A 838 28.448 4.814 26.201 1.00 22.51 H new ATOM 0 HD2 ARG A 838 29.904 3.900 27.752 1.00 20.62 H new ATOM 0 HD3 ARG A 838 28.977 4.307 28.939 1.00 20.62 H new ATOM 0 HE ARG A 838 27.497 2.719 27.481 1.00 23.59 H new ATOM 0 HH11 ARG A 838 30.397 2.242 29.033 1.00 22.69 H new ATOM 0 HH12 ARG A 838 30.226 0.785 29.292 1.00 22.69 H new ATOM 0 HH21 ARG A 838 27.199 0.487 27.878 1.00 27.28 H new ATOM 0 HH22 ARG A 838 28.255 -0.295 28.579 1.00 27.28 H new ATOM 1169 N LEU A 839 29.401 9.521 26.286 1.00 18.46 N ATOM 1170 CA LEU A 839 29.649 10.921 26.634 1.00 19.00 C ATOM 1171 C LEU A 839 28.614 11.876 26.002 1.00 21.29 C ATOM 1172 O LEU A 839 28.186 12.850 26.637 1.00 21.01 O ATOM 1173 CB LEU A 839 31.089 11.326 26.204 1.00 22.92 C ATOM 1174 CG LEU A 839 31.524 12.787 26.498 1.00 23.05 C ATOM 1175 CD1 LEU A 839 31.574 13.025 28.007 1.00 25.63 C ATOM 1176 CD2 LEU A 839 32.845 13.040 25.890 1.00 25.43 C ATOM 0 H LEU A 839 30.010 9.165 25.795 1.00 18.46 H new ATOM 0 HA LEU A 839 29.560 11.002 27.597 1.00 19.00 H new ATOM 0 HB2 LEU A 839 31.715 10.730 26.645 1.00 22.92 H new ATOM 0 HB3 LEU A 839 31.174 11.172 25.250 1.00 22.92 H new ATOM 0 HG LEU A 839 30.878 13.400 26.113 1.00 23.05 H new ATOM 0 HD11 LEU A 839 31.846 13.939 28.182 1.00 25.63 H new ATOM 0 HD12 LEU A 839 30.695 12.871 28.388 1.00 25.63 H new ATOM 0 HD13 LEU A 839 32.212 12.415 28.410 1.00 25.63 H new ATOM 0 HD21 LEU A 839 33.117 13.953 26.074 1.00 25.43 H new ATOM 0 HD22 LEU A 839 33.497 12.427 26.265 1.00 25.43 H new ATOM 0 HD23 LEU A 839 32.791 12.906 24.931 1.00 25.43 H new ATOM 1177 N ILE A 840 28.229 11.574 24.779 1.00 20.44 N ATOM 1178 CA ILE A 840 27.143 12.300 24.090 1.00 21.56 C ATOM 1179 C ILE A 840 25.927 12.378 24.995 1.00 20.50 C ATOM 1180 O ILE A 840 25.342 13.432 25.169 1.00 19.29 O ATOM 1181 CB ILE A 840 26.769 11.670 22.738 1.00 19.67 C ATOM 1182 CG1 ILE A 840 27.963 11.768 21.749 1.00 19.82 C ATOM 1183 CG2 ILE A 840 25.462 12.229 22.198 1.00 20.78 C ATOM 1184 CD1 ILE A 840 27.690 10.995 20.470 1.00 21.62 C ATOM 0 H ILE A 840 28.581 10.944 24.312 1.00 20.44 H new ATOM 0 HA ILE A 840 27.468 13.193 23.897 1.00 21.56 H new ATOM 0 HB ILE A 840 26.598 10.724 22.865 1.00 19.67 H new ATOM 0 HG12 ILE A 840 28.133 12.699 21.536 1.00 19.82 H new ATOM 0 HG13 ILE A 840 28.765 11.423 22.172 1.00 19.82 H new ATOM 0 HG21 ILE A 840 25.258 11.811 21.347 1.00 20.78 H new ATOM 0 HG22 ILE A 840 24.747 12.046 22.827 1.00 20.78 H new ATOM 0 HG23 ILE A 840 25.546 13.187 22.075 1.00 20.78 H new ATOM 0 HD11 ILE A 840 28.451 11.075 19.874 1.00 21.62 H new ATOM 0 HD12 ILE A 840 27.543 10.060 20.682 1.00 21.62 H new ATOM 0 HD13 ILE A 840 26.901 11.356 20.036 1.00 21.62 H new ATOM 1185 N PHE A 841 25.505 11.264 25.520 1.00 20.29 N ATOM 1186 CA PHE A 841 24.253 11.257 26.313 1.00 19.60 C ATOM 1187 C PHE A 841 24.415 11.807 27.672 1.00 20.57 C ATOM 1188 O PHE A 841 23.491 12.454 28.200 1.00 21.18 O ATOM 1189 CB PHE A 841 23.599 9.865 26.269 1.00 23.29 C ATOM 1190 CG PHE A 841 23.581 9.290 24.898 1.00 23.33 C ATOM 1191 CD1 PHE A 841 22.831 9.903 23.902 1.00 24.03 C ATOM 1192 CD2 PHE A 841 24.319 8.182 24.596 1.00 23.07 C ATOM 1193 CE1 PHE A 841 22.802 9.367 22.608 1.00 27.56 C ATOM 1194 CE2 PHE A 841 24.279 7.631 23.323 1.00 23.20 C ATOM 1195 CZ PHE A 841 23.556 8.207 22.320 1.00 23.66 C ATOM 0 H PHE A 841 25.900 10.503 25.447 1.00 20.29 H new ATOM 0 HA PHE A 841 23.633 11.874 25.894 1.00 19.60 H new ATOM 0 HB2 PHE A 841 24.079 9.266 26.862 1.00 23.29 H new ATOM 0 HB3 PHE A 841 22.690 9.927 26.603 1.00 23.29 H new ATOM 0 HD1 PHE A 841 22.346 10.673 24.095 1.00 24.03 H new ATOM 0 HD2 PHE A 841 24.854 7.793 25.250 1.00 23.07 H new ATOM 0 HE1 PHE A 841 22.291 9.771 21.944 1.00 27.56 H new ATOM 0 HE2 PHE A 841 24.756 6.852 23.150 1.00 23.20 H new ATOM 0 HZ PHE A 841 23.559 7.844 21.464 1.00 23.66 H new ATOM 1196 N HIS A 842 25.596 11.646 28.226 1.00 21.97 N ATOM 1197 CA HIS A 842 25.915 12.171 29.556 1.00 25.09 C ATOM 1198 C HIS A 842 25.962 13.695 29.541 1.00 25.93 C ATOM 1199 O HIS A 842 25.433 14.342 30.469 1.00 22.83 O ATOM 1200 CB HIS A 842 27.256 11.640 30.104 1.00 30.21 C ATOM 1201 CG HIS A 842 27.462 11.947 31.545 1.00 36.42 C ATOM 1202 ND1 HIS A 842 28.307 12.936 31.986 1.00 42.30 N ATOM 1203 CD2 HIS A 842 26.895 11.417 32.658 1.00 48.39 C ATOM 1204 CE1 HIS A 842 28.283 12.988 33.309 1.00 41.72 C ATOM 1205 NE2 HIS A 842 27.414 12.093 33.741 1.00 47.20 N ATOM 0 H HIS A 842 26.246 11.229 27.848 1.00 21.97 H new ATOM 0 HA HIS A 842 25.206 11.862 30.141 1.00 25.09 H new ATOM 0 HB2 HIS A 842 27.294 10.679 29.975 1.00 30.21 H new ATOM 0 HB3 HIS A 842 27.984 12.024 29.590 1.00 30.21 H new ATOM 0 HD1 HIS A 842 28.780 13.445 31.479 1.00 42.30 H new ATOM 0 HD2 HIS A 842 26.272 10.727 32.685 1.00 48.39 H new ATOM 0 HE1 HIS A 842 28.791 13.557 33.842 1.00 41.72 H new ATOM 1206 N ASN A 843 26.587 14.247 28.515 1.00 21.49 N ATOM 1207 CA ASN A 843 26.663 15.692 28.368 1.00 22.16 C ATOM 1208 C ASN A 843 25.259 16.292 28.232 1.00 21.84 C ATOM 1209 O ASN A 843 24.938 17.280 28.897 1.00 23.92 O ATOM 1210 CB ASN A 843 27.473 16.069 27.136 1.00 20.95 C ATOM 1211 CG ASN A 843 28.961 15.961 27.328 1.00 21.46 C ATOM 1212 OD1 ASN A 843 29.492 15.772 28.417 1.00 22.86 O ATOM 1213 ND2 ASN A 843 29.643 16.135 26.242 1.00 20.23 N ATOM 0 H ASN A 843 26.976 13.802 27.890 1.00 21.49 H new ATOM 0 HA ASN A 843 27.097 16.044 29.161 1.00 22.16 H new ATOM 0 HB2 ASN A 843 27.209 15.497 26.399 1.00 20.95 H new ATOM 0 HB3 ASN A 843 27.254 16.979 26.882 1.00 20.95 H new ATOM 0 HD21 ASN A 843 30.503 16.121 26.267 1.00 20.23 H new ATOM 0 HD22 ASN A 843 29.237 16.265 25.495 1.00 20.23 H new ATOM 1214 N HIS A 844 24.378 15.621 27.487 1.00 21.04 N ATOM 1215 CA HIS A 844 23.010 16.069 27.314 1.00 23.38 C ATOM 1216 C HIS A 844 22.221 16.062 28.657 1.00 24.25 C ATOM 1217 O HIS A 844 21.539 17.028 28.956 1.00 27.22 O ATOM 1218 CB HIS A 844 22.336 15.213 26.274 1.00 22.14 C ATOM 1219 CG HIS A 844 20.898 15.526 26.017 1.00 23.09 C ATOM 1220 ND1 HIS A 844 20.500 16.287 24.934 1.00 24.31 N ATOM 1221 CD2 HIS A 844 19.749 15.123 26.640 1.00 22.03 C ATOM 1222 CE1 HIS A 844 19.170 16.337 24.905 1.00 24.99 C ATOM 1223 NE2 HIS A 844 18.697 15.694 25.960 1.00 22.08 N ATOM 0 H HIS A 844 24.564 14.892 27.070 1.00 21.04 H new ATOM 0 HA HIS A 844 23.021 16.990 27.010 1.00 23.38 H new ATOM 0 HB2 HIS A 844 22.824 15.300 25.440 1.00 22.14 H new ATOM 0 HB3 HIS A 844 22.405 14.285 26.547 1.00 22.14 H new ATOM 0 HD2 HIS A 844 19.690 14.567 27.383 1.00 22.03 H new ATOM 0 HE1 HIS A 844 18.658 16.755 24.251 1.00 24.99 H new ATOM 0 HE2 HIS A 844 17.868 15.641 26.184 1.00 22.08 H new ATOM 1224 N LYS A 845 22.316 15.003 29.424 1.00 26.27 N ATOM 1225 CA ALYS A 845 21.670 14.903 30.764 0.50 29.85 C ATOM 1226 CA BLYS A 845 21.636 14.922 30.725 0.50 30.35 C ATOM 1227 C LYS A 845 22.109 16.000 31.709 1.00 30.21 C ATOM 1228 O LYS A 845 21.314 16.654 32.362 1.00 31.26 O ATOM 1229 CB ALYS A 845 22.022 13.585 31.460 0.50 31.30 C ATOM 1230 CB BLYS A 845 21.848 13.544 31.342 0.50 32.10 C ATOM 1231 CG ALYS A 845 21.291 12.409 30.880 0.50 36.64 C ATOM 1232 CG BLYS A 845 21.176 13.356 32.691 0.50 37.81 C ATOM 1233 CD ALYS A 845 21.866 11.027 31.256 0.50 42.87 C ATOM 1234 CD BLYS A 845 22.199 13.237 33.786 0.50 42.85 C ATOM 1235 CE ALYS A 845 20.966 10.249 32.197 0.50 45.91 C ATOM 1236 CE BLYS A 845 22.499 11.775 34.060 0.50 43.90 C ATOM 1237 NZ ALYS A 845 21.203 8.776 32.060 0.50 48.16 N ATOM 1238 NZ BLYS A 845 21.528 11.228 35.046 0.50 47.80 N ATOM 0 H ALYS A 845 22.758 14.300 29.201 0.50 26.27 H new ATOM 0 H BLYS A 845 22.772 14.303 29.219 0.50 26.27 H new ATOM 0 HA ALYS A 845 20.719 14.971 30.584 0.50 30.35 H new ATOM 0 HA BLYS A 845 20.693 15.074 30.558 0.50 30.35 H new ATOM 0 HB2ALYS A 845 22.978 13.433 31.391 0.50 32.10 H new ATOM 0 HB2BLYS A 845 21.513 12.871 30.729 0.50 32.10 H new ATOM 0 HB3ALYS A 845 21.813 13.657 32.405 0.50 32.10 H new ATOM 0 HB3BLYS A 845 22.800 13.388 31.442 0.50 32.10 H new ATOM 0 HG2ALYS A 845 20.366 12.448 31.168 0.50 37.81 H new ATOM 0 HG2BLYS A 845 20.589 14.107 32.872 0.50 37.81 H new ATOM 0 HG3ALYS A 845 21.291 12.491 29.913 0.50 37.81 H new ATOM 0 HG3BLYS A 845 20.622 12.560 32.673 0.50 37.81 H new ATOM 0 HD2ALYS A 845 22.006 10.509 30.448 0.50 42.85 H new ATOM 0 HD2BLYS A 845 23.012 13.699 33.530 0.50 42.85 H new ATOM 0 HD3ALYS A 845 22.735 11.145 31.671 0.50 42.85 H new ATOM 0 HD3BLYS A 845 21.871 13.664 34.593 0.50 42.85 H new ATOM 0 HE2ALYS A 845 21.132 10.524 33.112 0.50 43.90 H new ATOM 0 HE2BLYS A 845 22.452 11.268 33.234 0.50 43.90 H new ATOM 0 HE3ALYS A 845 20.037 10.451 32.004 0.50 43.90 H new ATOM 0 HE3BLYS A 845 23.403 11.681 34.400 0.50 43.90 H new ATOM 0 HZ1ALYS A 845 20.668 8.336 32.618 0.50 47.80 H new ATOM 0 HZ1BLYS A 845 21.712 10.371 35.200 0.50 47.80 H new ATOM 0 HZ2ALYS A 845 21.031 8.524 31.224 0.50 47.80 H new ATOM 0 HZ2BLYS A 845 21.588 11.685 35.807 0.50 47.80 H new ATOM 0 HZ3ALYS A 845 22.051 8.592 32.256 0.50 47.80 H new ATOM 0 HZ3BLYS A 845 20.702 11.300 34.721 0.50 47.80 H new ATOM 1239 N GLU A 846 23.388 16.173 31.808 1.00 27.28 N ATOM 1240 CA GLU A 846 23.890 17.211 32.657 1.00 33.39 C ATOM 1241 C GLU A 846 23.471 18.619 32.257 1.00 31.21 C ATOM 1242 O GLU A 846 23.187 19.436 33.139 1.00 31.59 O ATOM 1243 CB GLU A 846 25.400 17.084 32.840 1.00 38.95 C ATOM 1244 CG GLU A 846 25.826 15.735 33.491 1.00 44.15 C ATOM 1245 CD GLU A 846 25.341 15.563 34.942 1.00 53.46 C ATOM 1246 OE1 GLU A 846 25.972 16.185 35.825 1.00 58.16 O ATOM 1247 OE2 GLU A 846 24.345 14.826 35.193 1.00 53.87 O ATOM 0 H GLU A 846 23.984 15.708 31.398 1.00 27.28 H new ATOM 0 HA GLU A 846 23.465 17.074 33.518 1.00 33.39 H new ATOM 0 HB2 GLU A 846 25.833 17.171 31.977 1.00 38.95 H new ATOM 0 HB3 GLU A 846 25.716 17.817 33.391 1.00 38.95 H new ATOM 0 HG2 GLU A 846 25.481 15.004 32.955 1.00 44.15 H new ATOM 0 HG3 GLU A 846 26.794 15.668 33.472 1.00 44.15 H new ATOM 1248 N PHE A 847 23.420 18.911 30.970 1.00 26.62 N ATOM 1249 CA PHE A 847 23.147 20.299 30.515 1.00 29.28 C ATOM 1250 C PHE A 847 21.671 20.640 30.671 1.00 28.75 C ATOM 1251 O PHE A 847 21.341 21.730 31.107 1.00 31.43 O ATOM 1252 CB PHE A 847 23.555 20.498 29.080 1.00 26.07 C ATOM 1253 CG PHE A 847 23.382 21.890 28.607 1.00 25.33 C ATOM 1254 CD1 PHE A 847 24.213 22.869 29.069 1.00 27.49 C ATOM 1255 CD2 PHE A 847 22.387 22.216 27.729 1.00 23.39 C ATOM 1256 CE1 PHE A 847 24.093 24.200 28.623 1.00 26.08 C ATOM 1257 CE2 PHE A 847 22.204 23.542 27.319 1.00 28.70 C ATOM 1258 CZ PHE A 847 23.086 24.534 27.752 1.00 27.34 C ATOM 0 H PHE A 847 23.537 18.340 30.337 1.00 26.62 H new ATOM 0 HA PHE A 847 23.674 20.891 31.073 1.00 29.28 H new ATOM 0 HB2 PHE A 847 24.485 20.242 28.977 1.00 26.07 H new ATOM 0 HB3 PHE A 847 23.033 19.905 28.517 1.00 26.07 H new ATOM 0 HD1 PHE A 847 24.871 22.653 29.690 1.00 27.49 H new ATOM 0 HD2 PHE A 847 21.826 21.551 27.401 1.00 23.39 H new ATOM 0 HE1 PHE A 847 24.692 24.848 28.917 1.00 26.08 H new ATOM 0 HE2 PHE A 847 21.495 23.762 26.758 1.00 28.70 H new ATOM 0 HZ PHE A 847 22.992 25.410 27.454 1.00 27.34 H new ATOM 1259 N TYR A 848 20.785 19.732 30.259 1.00 25.84 N ATOM 1260 CA TYR A 848 19.384 19.999 30.284 1.00 26.18 C ATOM 1261 C TYR A 848 18.736 19.735 31.636 1.00 33.94 C ATOM 1262 O TYR A 848 17.607 20.119 31.791 1.00 41.90 O ATOM 1263 CB TYR A 848 18.641 19.304 29.144 1.00 27.70 C ATOM 1264 CG TYR A 848 18.990 19.955 27.789 1.00 28.29 C ATOM 1265 CD1 TYR A 848 18.506 21.206 27.434 1.00 27.53 C ATOM 1266 CD2 TYR A 848 19.849 19.334 26.902 1.00 25.54 C ATOM 1267 CE1 TYR A 848 18.837 21.784 26.214 1.00 26.26 C ATOM 1268 CE2 TYR A 848 20.193 19.907 25.708 1.00 24.71 C ATOM 1269 CZ TYR A 848 19.688 21.143 25.387 1.00 28.76 C ATOM 1270 OH TYR A 848 20.012 21.706 24.169 1.00 30.91 O ATOM 0 H TYR A 848 20.995 18.953 29.962 1.00 25.84 H new ATOM 0 HA TYR A 848 19.302 20.954 30.138 1.00 26.18 H new ATOM 0 HB2 TYR A 848 18.875 18.363 29.126 1.00 27.70 H new ATOM 0 HB3 TYR A 848 17.684 19.356 29.296 1.00 27.70 H new ATOM 0 HD1 TYR A 848 17.951 21.665 28.022 1.00 27.53 H new ATOM 0 HD2 TYR A 848 20.203 18.503 27.123 1.00 25.54 H new ATOM 0 HE1 TYR A 848 18.475 22.605 25.970 1.00 26.26 H new ATOM 0 HE2 TYR A 848 20.762 19.464 25.121 1.00 24.71 H new ATOM 0 HH TYR A 848 19.976 22.543 24.229 1.00 30.91 H new ATOM 1271 N ARG A 849 19.444 19.181 32.624 1.00 35.25 N ATOM 1272 CA ARG A 849 18.999 19.233 34.051 1.00 50.68 C ATOM 1273 C ARG A 849 17.561 18.733 34.192 1.00 47.46 C ATOM 1274 O ARG A 849 17.302 17.571 33.985 1.00 53.33 O ATOM 1275 CB ARG A 849 19.056 20.666 34.644 1.00 56.92 C ATOM 1276 CG ARG A 849 20.366 21.381 34.592 1.00 69.73 C ATOM 1277 CD ARG A 849 21.333 20.864 35.625 1.00 79.88 C ATOM 1278 NE ARG A 849 22.426 21.840 35.747 1.00 84.14 N ATOM 1279 CZ ARG A 849 22.689 22.607 36.805 1.00 80.69 C ATOM 1280 NH1 ARG A 849 21.966 22.538 37.922 1.00 73.30 N ATOM 1281 NH2 ARG A 849 23.725 23.448 36.749 1.00 87.60 N ATOM 0 H ARG A 849 20.188 18.767 32.503 1.00 35.25 H new ATOM 0 HA ARG A 849 19.614 18.663 34.538 1.00 50.68 H new ATOM 0 HB2 ARG A 849 18.400 21.209 34.179 1.00 56.92 H new ATOM 0 HB3 ARG A 849 18.778 20.617 35.572 1.00 56.92 H new ATOM 0 HG2 ARG A 849 20.754 21.280 33.708 1.00 69.73 H new ATOM 0 HG3 ARG A 849 20.221 22.330 34.732 1.00 69.73 H new ATOM 0 HD2 ARG A 849 20.887 20.745 36.478 1.00 79.88 H new ATOM 0 HD3 ARG A 849 21.679 19.997 35.362 1.00 79.88 H new ATOM 0 HE ARG A 849 22.947 21.924 35.068 1.00 84.14 H new ATOM 0 HH11 ARG A 849 21.308 21.987 37.975 1.00 73.30 H new ATOM 0 HH12 ARG A 849 22.157 23.045 38.590 1.00 73.30 H new ATOM 0 HH21 ARG A 849 24.209 23.488 36.039 1.00 87.60 H new ATOM 0 HH22 ARG A 849 23.908 23.950 37.423 1.00 87.60 H new ATOM 1282 N GLU A 850 16.620 19.614 34.507 1.00 44.64 N ATOM 1283 CA GLU A 850 15.300 19.163 34.814 1.00 47.11 C ATOM 1284 C GLU A 850 14.392 19.494 33.681 1.00 40.38 C ATOM 1285 O GLU A 850 13.212 19.244 33.809 1.00 42.26 O ATOM 1286 CB GLU A 850 14.771 19.799 36.133 1.00 58.82 C ATOM 1287 CG GLU A 850 15.703 19.753 37.358 1.00 65.79 C ATOM 1288 CD GLU A 850 16.003 18.345 37.844 1.00 71.00 C ATOM 1289 OE1 GLU A 850 15.062 17.695 38.337 1.00 84.00 O ATOM 1290 OE2 GLU A 850 17.174 17.886 37.750 1.00 79.55 O ATOM 0 H GLU A 850 16.736 20.465 34.545 1.00 44.64 H new ATOM 0 HA GLU A 850 15.326 18.202 34.945 1.00 47.11 H new ATOM 0 HB2 GLU A 850 14.555 20.728 35.954 1.00 58.82 H new ATOM 0 HB3 GLU A 850 13.941 19.355 36.369 1.00 58.82 H new ATOM 0 HG2 GLU A 850 16.538 20.195 37.136 1.00 65.79 H new ATOM 0 HG3 GLU A 850 15.299 20.257 38.081 1.00 65.79 H new ATOM 1291 N ASP A 851 14.874 20.086 32.582 1.00 32.31 N ATOM 1292 CA ASP A 851 14.039 20.208 31.433 1.00 32.09 C ATOM 1293 C ASP A 851 13.696 18.785 30.967 1.00 31.80 C ATOM 1294 O ASP A 851 14.518 17.847 31.004 1.00 27.82 O ATOM 1295 CB ASP A 851 14.683 21.072 30.344 1.00 35.46 C ATOM 1296 CG ASP A 851 13.717 21.507 29.270 1.00 39.69 C ATOM 1297 OD1 ASP A 851 13.015 20.671 28.622 1.00 33.16 O ATOM 1298 OD2 ASP A 851 13.764 22.714 28.975 1.00 40.25 O ATOM 0 H ASP A 851 15.666 20.411 32.501 1.00 32.31 H new ATOM 0 HA ASP A 851 13.219 20.677 31.651 1.00 32.09 H new ATOM 0 HB2 ASP A 851 15.074 21.859 30.755 1.00 35.46 H new ATOM 0 HB3 ASP A 851 15.409 20.575 29.934 1.00 35.46 H new ATOM 1299 N LYS A 852 12.454 18.633 30.565 1.00 26.89 N ATOM 1300 CA LYS A 852 11.979 17.389 30.042 1.00 31.29 C ATOM 1301 C LYS A 852 12.717 16.957 28.744 1.00 25.73 C ATOM 1302 O LYS A 852 12.689 15.772 28.367 1.00 25.66 O ATOM 1303 CB LYS A 852 10.472 17.434 29.839 1.00 35.65 C ATOM 1304 CG LYS A 852 10.032 18.232 28.648 1.00 40.26 C ATOM 1305 CD LYS A 852 8.598 18.703 28.780 1.00 47.46 C ATOM 1306 CE LYS A 852 8.281 19.710 27.656 1.00 48.52 C ATOM 1307 NZ LYS A 852 6.848 19.784 27.336 1.00 42.59 N ATOM 0 H LYS A 852 11.862 19.256 30.590 1.00 26.89 H new ATOM 0 HA LYS A 852 12.180 16.708 30.703 1.00 31.29 H new ATOM 0 HB2 LYS A 852 10.142 16.527 29.747 1.00 35.65 H new ATOM 0 HB3 LYS A 852 10.060 17.806 30.634 1.00 35.65 H new ATOM 0 HG2 LYS A 852 10.615 19.000 28.540 1.00 40.26 H new ATOM 0 HG3 LYS A 852 10.122 17.693 27.847 1.00 40.26 H new ATOM 0 HD2 LYS A 852 7.993 17.946 28.729 1.00 47.46 H new ATOM 0 HD3 LYS A 852 8.462 19.117 29.646 1.00 47.46 H new ATOM 0 HE2 LYS A 852 8.594 20.590 27.919 1.00 48.52 H new ATOM 0 HE3 LYS A 852 8.773 19.461 26.858 1.00 48.52 H new ATOM 0 HZ1 LYS A 852 6.728 20.310 26.628 1.00 42.59 H new ATOM 0 HZ2 LYS A 852 6.542 18.968 27.154 1.00 42.59 H new ATOM 0 HZ3 LYS A 852 6.405 20.119 28.032 1.00 42.59 H new ATOM 1308 N PHE A 853 13.399 17.895 28.103 1.00 23.71 N ATOM 1309 CA PHE A 853 14.226 17.551 26.958 1.00 24.99 C ATOM 1310 C PHE A 853 15.353 16.553 27.296 1.00 22.85 C ATOM 1311 O PHE A 853 15.830 15.846 26.389 1.00 21.85 O ATOM 1312 CB PHE A 853 14.774 18.795 26.337 1.00 22.00 C ATOM 1313 CG PHE A 853 15.413 18.614 25.007 1.00 22.30 C ATOM 1314 CD1 PHE A 853 14.715 18.117 23.957 1.00 24.94 C ATOM 1315 CD2 PHE A 853 16.676 19.082 24.779 1.00 21.63 C ATOM 1316 CE1 PHE A 853 15.299 18.003 22.691 1.00 28.15 C ATOM 1317 CE2 PHE A 853 17.279 18.977 23.515 1.00 26.01 C ATOM 1318 CZ PHE A 853 16.585 18.460 22.486 1.00 26.56 C ATOM 0 H PHE A 853 13.397 18.729 28.312 1.00 23.71 H new ATOM 0 HA PHE A 853 13.656 17.095 26.320 1.00 24.99 H new ATOM 0 HB2 PHE A 853 14.054 19.439 26.248 1.00 22.00 H new ATOM 0 HB3 PHE A 853 15.426 19.181 26.943 1.00 22.00 H new ATOM 0 HD1 PHE A 853 13.834 17.847 24.080 1.00 24.94 H new ATOM 0 HD2 PHE A 853 17.147 19.479 25.476 1.00 21.63 H new ATOM 0 HE1 PHE A 853 14.822 17.621 21.990 1.00 28.15 H new ATOM 0 HE2 PHE A 853 18.155 19.264 23.390 1.00 26.01 H new ATOM 0 HZ PHE A 853 16.969 18.411 21.641 1.00 26.56 H new ATOM 1319 N THR A 854 15.739 16.475 28.571 1.00 22.63 N ATOM 1320 CA ATHR A 854 16.645 15.449 29.101 0.37 24.13 C ATOM 1321 CA BTHR A 854 16.687 15.446 29.002 0.63 25.20 C ATOM 1322 C THR A 854 16.258 14.044 28.606 1.00 25.17 C ATOM 1323 O THR A 854 17.104 13.194 28.362 1.00 24.87 O ATOM 1324 CB ATHR A 854 16.672 15.500 30.667 0.37 25.89 C ATOM 1325 CB BTHR A 854 16.955 15.407 30.517 0.63 28.71 C ATOM 1326 OG1ATHR A 854 17.812 14.816 31.198 0.37 24.91 O ATOM 1327 OG1BTHR A 854 15.755 15.051 31.217 0.63 34.26 O ATOM 1328 CG2ATHR A 854 15.417 14.865 31.287 0.37 26.46 C ATOM 1329 CG2BTHR A 854 17.515 16.696 31.028 0.63 27.40 C ATOM 0 H ATHR A 854 15.474 17.033 29.169 0.37 22.63 H new ATOM 0 H BTHR A 854 15.468 17.001 29.195 0.63 22.63 H new ATOM 0 HA ATHR A 854 17.537 15.639 28.769 0.37 25.20 H new ATOM 0 HA BTHR A 854 17.499 15.710 28.541 0.63 25.20 H new ATOM 0 HB ATHR A 854 16.710 16.442 30.896 0.37 28.71 H new ATOM 0 HB BTHR A 854 17.630 14.730 30.681 0.63 28.71 H new ATOM 0 HG1ATHR A 854 17.800 14.861 32.037 0.37 34.26 H new ATOM 0 HG1BTHR A 854 15.246 15.718 31.258 0.63 34.26 H new ATOM 0 HG21ATHR A 854 15.472 14.916 32.254 0.37 27.40 H new ATOM 0 HG21BTHR A 854 17.668 16.627 31.983 0.63 27.40 H new ATOM 0 HG22ATHR A 854 14.629 15.342 30.983 0.37 27.40 H new ATOM 0 HG22BTHR A 854 18.354 16.885 30.580 0.63 27.40 H new ATOM 0 HG23ATHR A 854 15.357 13.936 31.016 0.37 27.40 H new ATOM 0 HG23BTHR A 854 16.887 17.414 30.853 0.63 27.40 H new ATOM 1330 N ARG A 855 14.972 13.785 28.487 1.00 22.50 N ATOM 1331 CA ARG A 855 14.518 12.460 28.126 1.00 27.94 C ATOM 1332 C ARG A 855 15.001 11.956 26.747 1.00 25.61 C ATOM 1333 O ARG A 855 15.152 10.733 26.517 1.00 23.35 O ATOM 1334 CB ARG A 855 12.986 12.453 28.203 1.00 34.58 C ATOM 1335 CG ARG A 855 12.283 11.155 27.853 1.00 43.70 C ATOM 1336 CD ARG A 855 10.865 11.108 28.451 1.00 54.69 C ATOM 1337 NE ARG A 855 10.126 9.888 28.071 1.00 61.46 N ATOM 1338 CZ ARG A 855 9.237 9.769 27.072 1.00 71.01 C ATOM 1339 NH1 ARG A 855 8.906 10.788 26.264 1.00 69.30 N ATOM 1340 NH2 ARG A 855 8.659 8.585 26.863 1.00 76.40 N ATOM 0 H ARG A 855 14.346 14.361 28.611 1.00 22.50 H new ATOM 0 HA ARG A 855 14.914 11.838 28.756 1.00 27.94 H new ATOM 0 HB2 ARG A 855 12.729 12.701 29.105 1.00 34.58 H new ATOM 0 HB3 ARG A 855 12.652 13.146 27.612 1.00 34.58 H new ATOM 0 HG2 ARG A 855 12.233 11.062 26.889 1.00 43.70 H new ATOM 0 HG3 ARG A 855 12.801 10.405 28.184 1.00 43.70 H new ATOM 0 HD2 ARG A 855 10.924 11.158 29.418 1.00 54.69 H new ATOM 0 HD3 ARG A 855 10.368 11.887 28.157 1.00 54.69 H new ATOM 0 HE ARG A 855 10.281 9.182 28.537 1.00 61.46 H new ATOM 0 HH11 ARG A 855 9.269 11.560 26.375 1.00 69.30 H new ATOM 0 HH12 ARG A 855 8.331 10.669 25.635 1.00 69.30 H new ATOM 0 HH21 ARG A 855 8.858 7.915 27.364 1.00 76.40 H new ATOM 0 HH22 ARG A 855 8.087 8.492 26.227 1.00 76.40 H new ATOM 1341 N LEU A 856 15.257 12.878 25.842 1.00 23.85 N ATOM 1342 CA LEU A 856 15.708 12.462 24.541 1.00 22.81 C ATOM 1343 C LEU A 856 17.055 11.726 24.699 1.00 21.98 C ATOM 1344 O LEU A 856 17.280 10.821 23.979 1.00 22.69 O ATOM 1345 CB LEU A 856 15.868 13.630 23.549 1.00 24.78 C ATOM 1346 CG LEU A 856 14.659 14.112 22.704 1.00 27.46 C ATOM 1347 CD1 LEU A 856 14.116 13.070 21.748 1.00 30.18 C ATOM 1348 CD2 LEU A 856 13.483 14.491 23.565 1.00 29.21 C ATOM 0 H LEU A 856 15.178 13.727 25.958 1.00 23.85 H new ATOM 0 HA LEU A 856 15.029 11.878 24.169 1.00 22.81 H new ATOM 0 HB2 LEU A 856 16.188 14.394 24.054 1.00 24.78 H new ATOM 0 HB3 LEU A 856 16.572 13.385 22.929 1.00 24.78 H new ATOM 0 HG LEU A 856 15.023 14.866 22.214 1.00 27.46 H new ATOM 0 HD11 LEU A 856 13.366 13.441 21.257 1.00 30.18 H new ATOM 0 HD12 LEU A 856 14.812 12.808 21.125 1.00 30.18 H new ATOM 0 HD13 LEU A 856 13.822 12.293 22.249 1.00 30.18 H new ATOM 0 HD21 LEU A 856 12.751 14.786 23.001 1.00 29.21 H new ATOM 0 HD22 LEU A 856 13.201 13.722 24.085 1.00 29.21 H new ATOM 0 HD23 LEU A 856 13.739 15.210 24.164 1.00 29.21 H new ATOM 1349 N GLY A 857 17.929 12.200 25.562 1.00 22.60 N ATOM 1350 CA GLY A 857 19.201 11.580 25.886 1.00 24.78 C ATOM 1351 C GLY A 857 18.996 10.173 26.436 1.00 25.84 C ATOM 1352 O GLY A 857 19.690 9.249 26.055 1.00 24.26 O ATOM 0 H GLY A 857 17.793 12.928 25.998 1.00 22.60 H new ATOM 0 HA2 GLY A 857 19.758 11.543 25.093 1.00 24.78 H new ATOM 0 HA3 GLY A 857 19.672 12.121 26.539 1.00 24.78 H new ATOM 1353 N ILE A 858 18.047 10.022 27.350 1.00 25.16 N ATOM 1354 CA ILE A 858 17.701 8.698 27.875 1.00 25.81 C ATOM 1355 C ILE A 858 17.223 7.754 26.808 1.00 25.74 C ATOM 1356 O ILE A 858 17.675 6.603 26.707 1.00 24.33 O ATOM 1357 CB ILE A 858 16.640 8.783 29.024 1.00 27.21 C ATOM 1358 CG1 ILE A 858 17.293 9.521 30.189 1.00 31.52 C ATOM 1359 CG2 ILE A 858 16.235 7.376 29.445 1.00 27.80 C ATOM 1360 CD1 ILE A 858 16.291 10.107 31.172 1.00 35.07 C ATOM 0 H ILE A 858 17.589 10.670 27.682 1.00 25.16 H new ATOM 0 HA ILE A 858 18.526 8.340 28.239 1.00 25.81 H new ATOM 0 HB ILE A 858 15.843 9.252 28.733 1.00 27.21 H new ATOM 0 HG12 ILE A 858 17.880 8.910 30.662 1.00 31.52 H new ATOM 0 HG13 ILE A 858 17.849 10.235 29.840 1.00 31.52 H new ATOM 0 HG21 ILE A 858 15.578 7.428 30.157 1.00 27.80 H new ATOM 0 HG22 ILE A 858 15.853 6.908 28.686 1.00 27.80 H new ATOM 0 HG23 ILE A 858 17.016 6.895 29.761 1.00 27.80 H new ATOM 0 HD11 ILE A 858 16.765 10.561 31.886 1.00 35.07 H new ATOM 0 HD12 ILE A 858 15.718 10.740 30.712 1.00 35.07 H new ATOM 0 HD13 ILE A 858 15.750 9.394 31.546 1.00 35.07 H new ATOM 1361 N GLN A 859 16.376 8.246 25.934 1.00 23.02 N ATOM 1362 CA GLN A 859 15.815 7.417 24.916 1.00 25.59 C ATOM 1363 C GLN A 859 16.837 6.950 23.849 1.00 21.35 C ATOM 1364 O GLN A 859 16.906 5.748 23.481 1.00 20.33 O ATOM 1365 CB GLN A 859 14.688 8.181 24.225 1.00 29.45 C ATOM 1366 CG GLN A 859 13.450 8.262 25.056 1.00 31.90 C ATOM 1367 CD GLN A 859 12.411 9.187 24.471 1.00 38.90 C ATOM 1368 OE1 GLN A 859 12.702 10.257 23.860 1.00 35.46 O ATOM 1369 NE2 GLN A 859 11.184 8.809 24.692 1.00 41.49 N ATOM 0 H GLN A 859 16.115 9.065 25.918 1.00 23.02 H new ATOM 0 HA GLN A 859 15.492 6.615 25.356 1.00 25.59 H new ATOM 0 HB2 GLN A 859 14.992 9.078 24.016 1.00 29.45 H new ATOM 0 HB3 GLN A 859 14.479 7.749 23.382 1.00 29.45 H new ATOM 0 HG2 GLN A 859 13.070 7.374 25.150 1.00 31.90 H new ATOM 0 HG3 GLN A 859 13.683 8.567 25.947 1.00 31.90 H new ATOM 0 HE21 GLN A 859 11.029 8.074 25.111 1.00 41.49 H new ATOM 0 HE22 GLN A 859 10.529 9.294 24.419 1.00 41.49 H new ATOM 1370 N VAL A 860 17.671 7.865 23.398 1.00 18.82 N ATOM 1371 CA VAL A 860 18.654 7.496 22.399 1.00 19.82 C ATOM 1372 C VAL A 860 19.754 6.613 23.073 1.00 20.76 C ATOM 1373 O VAL A 860 20.201 5.661 22.441 1.00 18.96 O ATOM 1374 CB VAL A 860 19.206 8.672 21.643 1.00 21.67 C ATOM 1375 CG1 VAL A 860 20.175 8.155 20.619 1.00 21.27 C ATOM 1376 CG2 VAL A 860 18.114 9.381 20.885 1.00 21.09 C ATOM 0 H VAL A 860 17.687 8.687 23.649 1.00 18.82 H new ATOM 0 HA VAL A 860 18.217 6.970 21.711 1.00 19.82 H new ATOM 0 HB VAL A 860 19.620 9.280 22.275 1.00 21.67 H new ATOM 0 HG11 VAL A 860 20.544 8.899 20.118 1.00 21.27 H new ATOM 0 HG12 VAL A 860 20.892 7.677 21.064 1.00 21.27 H new ATOM 0 HG13 VAL A 860 19.715 7.554 20.012 1.00 21.27 H new ATOM 0 HG21 VAL A 860 18.490 10.135 20.405 1.00 21.09 H new ATOM 0 HG22 VAL A 860 17.707 8.767 20.254 1.00 21.09 H new ATOM 0 HG23 VAL A 860 17.441 9.698 21.507 1.00 21.09 H new ATOM 1377 N GLN A 861 20.114 6.892 24.319 1.00 19.86 N ATOM 1378 CA GLN A 861 21.071 6.034 25.049 1.00 22.11 C ATOM 1379 C GLN A 861 20.542 4.592 25.183 1.00 22.18 C ATOM 1380 O GLN A 861 21.304 3.658 24.984 1.00 20.26 O ATOM 1381 CB GLN A 861 21.482 6.569 26.423 1.00 23.06 C ATOM 1382 CG GLN A 861 22.616 5.662 26.936 1.00 28.84 C ATOM 1383 CD GLN A 861 23.449 6.181 28.090 1.00 35.61 C ATOM 1384 OE1 GLN A 861 23.091 7.146 28.745 1.00 35.71 O ATOM 1385 NE2 GLN A 861 24.578 5.480 28.376 1.00 36.60 N ATOM 0 H GLN A 861 19.824 7.567 24.766 1.00 19.86 H new ATOM 0 HA GLN A 861 21.873 6.040 24.504 1.00 22.11 H new ATOM 0 HB2 GLN A 861 21.781 7.489 26.358 1.00 23.06 H new ATOM 0 HB3 GLN A 861 20.730 6.558 27.035 1.00 23.06 H new ATOM 0 HG2 GLN A 861 22.226 4.815 27.204 1.00 28.84 H new ATOM 0 HG3 GLN A 861 23.213 5.477 26.194 1.00 28.84 H new ATOM 0 HE21 GLN A 861 24.799 4.805 27.892 1.00 36.60 H new ATOM 0 HE22 GLN A 861 25.071 5.712 29.041 1.00 36.60 H new ATOM 1386 N ASP A 862 19.263 4.417 25.411 1.00 21.56 N ATOM 1387 CA AASP A 862 18.683 3.059 25.470 0.49 23.88 C ATOM 1388 CA BASP A 862 18.693 3.065 25.486 0.51 24.31 C ATOM 1389 C ASP A 862 18.837 2.313 24.154 1.00 26.08 C ATOM 1390 O ASP A 862 19.097 1.105 24.157 1.00 23.32 O ATOM 1391 CB AASP A 862 17.211 3.088 25.856 0.49 25.10 C ATOM 1392 CB BASP A 862 17.229 3.124 25.931 0.51 25.89 C ATOM 1393 CG AASP A 862 16.998 3.533 27.271 0.49 27.88 C ATOM 1394 CG BASP A 862 16.705 1.795 26.438 0.51 30.41 C ATOM 1395 OD1AASP A 862 17.985 3.508 28.036 0.49 31.24 O ATOM 1396 OD1BASP A 862 17.464 1.059 27.093 0.51 35.90 O ATOM 1397 OD2AASP A 862 15.851 3.919 27.639 0.49 35.02 O ATOM 1398 OD2BASP A 862 15.503 1.510 26.233 0.51 33.56 O ATOM 0 H AASP A 862 18.700 5.055 25.536 0.49 21.56 H new ATOM 0 H BASP A 862 18.698 5.055 25.527 0.51 21.56 H new ATOM 0 HA AASP A 862 19.181 2.588 26.156 0.49 24.31 H new ATOM 0 HA BASP A 862 19.195 2.568 26.150 0.51 24.31 H new ATOM 0 HB2AASP A 862 16.734 3.684 25.257 0.49 25.89 H new ATOM 0 HB2BASP A 862 17.136 3.790 26.630 0.51 25.89 H new ATOM 0 HB3AASP A 862 16.831 2.203 25.737 0.49 25.89 H new ATOM 0 HB3BASP A 862 16.682 3.418 25.186 0.51 25.89 H new ATOM 1399 N ILE A 863 18.699 3.016 23.021 1.00 22.09 N ATOM 1400 CA ILE A 863 18.878 2.401 21.718 1.00 22.61 C ATOM 1401 C ILE A 863 20.305 1.989 21.580 1.00 18.63 C ATOM 1402 O ILE A 863 20.616 0.855 21.141 1.00 18.21 O ATOM 1403 CB ILE A 863 18.523 3.422 20.568 1.00 25.14 C ATOM 1404 CG1 ILE A 863 17.007 3.740 20.606 1.00 27.82 C ATOM 1405 CG2 ILE A 863 18.879 2.884 19.199 1.00 26.78 C ATOM 1406 CD1 ILE A 863 16.113 2.545 20.398 1.00 33.53 C ATOM 0 H ILE A 863 18.501 3.853 22.995 1.00 22.09 H new ATOM 0 HA ILE A 863 18.290 1.633 21.644 1.00 22.61 H new ATOM 0 HB ILE A 863 19.045 4.225 20.721 1.00 25.14 H new ATOM 0 HG12 ILE A 863 16.794 4.144 21.462 1.00 27.82 H new ATOM 0 HG13 ILE A 863 16.809 4.400 19.924 1.00 27.82 H new ATOM 0 HG21 ILE A 863 18.646 3.539 18.523 1.00 26.78 H new ATOM 0 HG22 ILE A 863 19.831 2.704 19.159 1.00 26.78 H new ATOM 0 HG23 ILE A 863 18.388 2.063 19.036 1.00 26.78 H new ATOM 0 HD11 ILE A 863 15.185 2.825 20.435 1.00 33.53 H new ATOM 0 HD12 ILE A 863 16.297 2.150 19.531 1.00 33.53 H new ATOM 0 HD13 ILE A 863 16.281 1.890 21.093 1.00 33.53 H new ATOM 1407 N PHE A 864 21.213 2.895 21.935 1.00 17.49 N ATOM 1408 CA PHE A 864 22.636 2.540 21.916 1.00 18.60 C ATOM 1409 C PHE A 864 22.955 1.270 22.757 1.00 18.76 C ATOM 1410 O PHE A 864 23.660 0.367 22.269 1.00 18.11 O ATOM 1411 CB PHE A 864 23.516 3.727 22.379 1.00 19.01 C ATOM 1412 CG PHE A 864 24.945 3.393 22.543 1.00 16.25 C ATOM 1413 CD1 PHE A 864 25.721 3.165 21.453 1.00 17.02 C ATOM 1414 CD2 PHE A 864 25.466 3.190 23.811 1.00 18.57 C ATOM 1415 CE1 PHE A 864 27.039 2.844 21.578 1.00 19.30 C ATOM 1416 CE2 PHE A 864 26.821 2.838 23.954 1.00 18.67 C ATOM 1417 CZ PHE A 864 27.611 2.657 22.843 1.00 19.42 C ATOM 0 H PHE A 864 21.037 3.699 22.184 1.00 17.49 H new ATOM 0 HA PHE A 864 22.849 2.331 20.993 1.00 18.60 H new ATOM 0 HB2 PHE A 864 23.434 4.448 21.735 1.00 19.01 H new ATOM 0 HB3 PHE A 864 23.173 4.061 23.223 1.00 19.01 H new ATOM 0 HD1 PHE A 864 25.346 3.229 20.605 1.00 17.02 H new ATOM 0 HD2 PHE A 864 24.925 3.286 24.561 1.00 18.57 H new ATOM 0 HE1 PHE A 864 27.564 2.748 20.816 1.00 19.30 H new ATOM 0 HE2 PHE A 864 27.184 2.727 24.803 1.00 18.67 H new ATOM 0 HZ PHE A 864 28.505 2.416 22.930 1.00 19.42 H new ATOM 1418 N GLU A 865 22.478 1.238 23.998 1.00 19.27 N ATOM 1419 CA GLU A 865 22.827 0.207 24.927 1.00 21.75 C ATOM 1420 C GLU A 865 22.233 -1.164 24.560 1.00 20.30 C ATOM 1421 O GLU A 865 22.947 -2.159 24.592 1.00 21.00 O ATOM 1422 CB GLU A 865 22.475 0.556 26.346 1.00 22.82 C ATOM 1423 CG GLU A 865 23.249 1.714 26.930 1.00 25.79 C ATOM 1424 CD GLU A 865 24.729 1.560 27.129 1.00 27.88 C ATOM 1425 OE1 GLU A 865 25.268 0.446 27.099 1.00 33.46 O ATOM 1426 OE2 GLU A 865 25.398 2.587 27.384 1.00 28.51 O ATOM 0 H GLU A 865 21.937 1.827 24.315 1.00 19.27 H new ATOM 0 HA GLU A 865 23.793 0.138 24.864 1.00 21.75 H new ATOM 0 HB2 GLU A 865 21.528 0.763 26.388 1.00 22.82 H new ATOM 0 HB3 GLU A 865 22.620 -0.225 26.902 1.00 22.82 H new ATOM 0 HG2 GLU A 865 23.107 2.483 26.356 1.00 25.79 H new ATOM 0 HG3 GLU A 865 22.856 1.927 27.791 1.00 25.79 H new ATOM 1427 N LYS A 866 21.030 -1.196 24.054 1.00 22.56 N ATOM 1428 CA LYS A 866 20.423 -2.433 23.539 1.00 25.01 C ATOM 1429 C LYS A 866 21.151 -2.990 22.383 1.00 23.97 C ATOM 1430 O LYS A 866 21.380 -4.204 22.284 1.00 20.40 O ATOM 1431 CB LYS A 866 18.968 -2.215 23.097 1.00 27.73 C ATOM 1432 CG LYS A 866 17.953 -2.173 24.209 1.00 36.87 C ATOM 1433 CD LYS A 866 16.525 -1.928 23.649 1.00 41.29 C ATOM 1434 CE LYS A 866 15.575 -1.436 24.741 1.00 45.67 C ATOM 1435 NZ LYS A 866 15.119 -2.604 25.537 1.00 49.68 N ATOM 0 H LYS A 866 20.523 -0.504 23.991 1.00 22.56 H new ATOM 0 HA LYS A 866 20.465 -3.056 24.281 1.00 25.01 H new ATOM 0 HB2 LYS A 866 18.918 -1.382 22.602 1.00 27.73 H new ATOM 0 HB3 LYS A 866 18.723 -2.925 22.483 1.00 27.73 H new ATOM 0 HG2 LYS A 866 17.972 -3.009 24.701 1.00 36.87 H new ATOM 0 HG3 LYS A 866 18.184 -1.469 24.836 1.00 36.87 H new ATOM 0 HD2 LYS A 866 16.564 -1.274 22.933 1.00 41.29 H new ATOM 0 HD3 LYS A 866 16.181 -2.749 23.265 1.00 41.29 H new ATOM 0 HE2 LYS A 866 16.024 -0.794 25.313 1.00 45.67 H new ATOM 0 HE3 LYS A 866 14.815 -0.981 24.346 1.00 45.67 H new ATOM 0 HZ1 LYS A 866 14.565 -2.329 26.177 1.00 49.68 H new ATOM 0 HZ2 LYS A 866 14.696 -3.179 25.005 1.00 49.68 H new ATOM 0 HZ3 LYS A 866 15.823 -3.005 25.907 1.00 49.68 H new ATOM 1436 N ASN A 867 21.549 -2.120 21.466 1.00 21.43 N ATOM 1437 CA ASN A 867 22.313 -2.575 20.333 1.00 20.65 C ATOM 1438 C ASN A 867 23.711 -3.037 20.647 1.00 20.39 C ATOM 1439 O ASN A 867 24.206 -3.982 19.991 1.00 19.80 O ATOM 1440 CB ASN A 867 22.270 -1.529 19.165 1.00 20.20 C ATOM 1441 CG ASN A 867 20.953 -1.602 18.400 1.00 20.10 C ATOM 1442 OD1 ASN A 867 20.742 -2.490 17.581 1.00 26.39 O ATOM 1443 ND2 ASN A 867 20.035 -0.685 18.681 1.00 21.65 N ATOM 0 H ASN A 867 21.387 -1.276 21.485 1.00 21.43 H new ATOM 0 HA ASN A 867 21.869 -3.384 20.033 1.00 20.65 H new ATOM 0 HB2 ASN A 867 22.388 -0.636 19.524 1.00 20.20 H new ATOM 0 HB3 ASN A 867 23.008 -1.690 18.557 1.00 20.20 H new ATOM 0 HD21 ASN A 867 19.272 -0.705 18.285 1.00 21.65 H new ATOM 0 HD22 ASN A 867 20.204 -0.071 19.259 1.00 21.65 H new ATOM 1444 N PHE A 868 24.358 -2.317 21.574 1.00 18.86 N ATOM 1445 CA PHE A 868 25.657 -2.720 22.086 1.00 20.77 C ATOM 1446 C PHE A 868 25.614 -4.159 22.617 1.00 20.65 C ATOM 1447 O PHE A 868 26.425 -5.018 22.215 1.00 21.36 O ATOM 1448 CB PHE A 868 26.099 -1.737 23.139 1.00 18.46 C ATOM 1449 CG PHE A 868 27.407 -2.101 23.795 1.00 23.46 C ATOM 1450 CD1 PHE A 868 28.591 -2.073 23.079 1.00 20.98 C ATOM 1451 CD2 PHE A 868 27.407 -2.621 25.050 1.00 26.97 C ATOM 1452 CE1 PHE A 868 29.827 -2.444 23.689 1.00 23.35 C ATOM 1453 CE2 PHE A 868 28.600 -3.028 25.660 1.00 30.10 C ATOM 1454 CZ PHE A 868 29.799 -2.922 24.969 1.00 28.71 C ATOM 0 H PHE A 868 24.052 -1.589 21.915 1.00 18.86 H new ATOM 0 HA PHE A 868 26.309 -2.712 21.368 1.00 20.77 H new ATOM 0 HB2 PHE A 868 26.182 -0.859 22.736 1.00 18.46 H new ATOM 0 HB3 PHE A 868 25.411 -1.673 23.820 1.00 18.46 H new ATOM 0 HD1 PHE A 868 28.581 -1.809 22.187 1.00 20.98 H new ATOM 0 HD2 PHE A 868 26.604 -2.708 25.510 1.00 26.97 H new ATOM 0 HE1 PHE A 868 30.630 -2.363 23.227 1.00 23.35 H new ATOM 0 HE2 PHE A 868 28.589 -3.368 26.525 1.00 30.10 H new ATOM 0 HZ PHE A 868 30.592 -3.179 25.381 1.00 28.71 H new ATOM 1455 N ARG A 869 24.690 -4.409 23.551 1.00 22.26 N ATOM 1456 CA ARG A 869 24.478 -5.747 24.106 1.00 23.46 C ATOM 1457 C ARG A 869 24.219 -6.822 23.028 1.00 25.43 C ATOM 1458 O ARG A 869 24.816 -7.905 23.087 1.00 24.84 O ATOM 1459 CB ARG A 869 23.378 -5.722 25.116 1.00 22.66 C ATOM 1460 CG ARG A 869 23.817 -5.002 26.373 1.00 24.06 C ATOM 1461 CD ARG A 869 22.864 -5.152 27.566 1.00 25.84 C ATOM 1462 NE ARG A 869 21.496 -4.825 27.277 1.00 27.53 N ATOM 1463 CZ ARG A 869 20.936 -3.624 27.448 1.00 33.95 C ATOM 1464 NH1 ARG A 869 21.623 -2.576 27.932 1.00 31.56 N ATOM 1465 NH2 ARG A 869 19.665 -3.458 27.110 1.00 34.75 N ATOM 0 H ARG A 869 24.170 -3.807 23.879 1.00 22.26 H new ATOM 0 HA ARG A 869 25.305 -6.003 24.543 1.00 23.46 H new ATOM 0 HB2 ARG A 869 22.599 -5.281 24.741 1.00 22.66 H new ATOM 0 HB3 ARG A 869 23.113 -6.629 25.334 1.00 22.66 H new ATOM 0 HG2 ARG A 869 24.692 -5.332 26.631 1.00 24.06 H new ATOM 0 HG3 ARG A 869 23.917 -4.058 26.172 1.00 24.06 H new ATOM 0 HD2 ARG A 869 22.906 -6.067 27.886 1.00 25.84 H new ATOM 0 HD3 ARG A 869 23.175 -4.584 28.288 1.00 25.84 H new ATOM 0 HE ARG A 869 20.996 -5.453 26.969 1.00 27.53 H new ATOM 0 HH11 ARG A 869 22.452 -2.666 28.143 1.00 31.56 H new ATOM 0 HH12 ARG A 869 21.234 -1.815 28.031 1.00 31.56 H new ATOM 0 HH21 ARG A 869 19.216 -4.117 26.787 1.00 34.75 H new ATOM 0 HH22 ARG A 869 19.289 -2.691 27.214 1.00 34.75 H new ATOM 1466 N ASN A 870 23.426 -6.498 21.997 1.00 26.20 N ATOM 1467 CA ASN A 870 23.145 -7.436 20.904 1.00 28.76 C ATOM 1468 C ASN A 870 24.397 -7.703 20.007 1.00 29.34 C ATOM 1469 O ASN A 870 24.821 -8.846 19.793 1.00 26.19 O ATOM 1470 CB ASN A 870 21.961 -6.932 20.048 1.00 28.02 C ATOM 1471 CG ASN A 870 21.652 -7.874 18.867 1.00 35.70 C ATOM 1472 OD1 ASN A 870 21.974 -7.603 17.741 1.00 40.70 O ATOM 1473 ND2 ASN A 870 21.052 -8.982 19.155 1.00 39.06 N ATOM 0 H ASN A 870 23.040 -5.734 21.914 1.00 26.20 H new ATOM 0 HA ASN A 870 22.904 -8.282 21.312 1.00 28.76 H new ATOM 0 HB2 ASN A 870 21.173 -6.848 20.607 1.00 28.02 H new ATOM 0 HB3 ASN A 870 22.164 -6.046 19.708 1.00 28.02 H new ATOM 0 HD21 ASN A 870 20.873 -9.548 18.533 1.00 39.06 H new ATOM 0 HD22 ASN A 870 20.832 -9.153 19.969 1.00 39.06 H new ATOM 1474 N ILE A 871 25.025 -6.624 19.539 1.00 25.60 N ATOM 1475 CA ILE A 871 26.078 -6.754 18.542 1.00 24.89 C ATOM 1476 C ILE A 871 27.337 -7.449 19.083 1.00 23.71 C ATOM 1477 O ILE A 871 28.019 -8.212 18.360 1.00 23.95 O ATOM 1478 CB ILE A 871 26.418 -5.357 17.955 1.00 23.57 C ATOM 1479 CG1 ILE A 871 25.252 -4.930 17.035 1.00 25.51 C ATOM 1480 CG2 ILE A 871 27.657 -5.370 17.076 1.00 23.51 C ATOM 1481 CD1 ILE A 871 25.227 -3.407 16.765 1.00 27.31 C ATOM 0 H ILE A 871 24.856 -5.817 19.785 1.00 25.60 H new ATOM 0 HA ILE A 871 25.741 -7.328 17.837 1.00 24.89 H new ATOM 0 HB ILE A 871 26.567 -4.761 18.706 1.00 23.57 H new ATOM 0 HG12 ILE A 871 25.322 -5.403 16.191 1.00 25.51 H new ATOM 0 HG13 ILE A 871 24.412 -5.196 17.440 1.00 25.51 H new ATOM 0 HG21 ILE A 871 27.823 -4.476 16.737 1.00 23.51 H new ATOM 0 HG22 ILE A 871 28.420 -5.665 17.597 1.00 23.51 H new ATOM 0 HG23 ILE A 871 27.520 -5.977 16.332 1.00 23.51 H new ATOM 0 HD11 ILE A 871 24.479 -3.193 16.185 1.00 27.31 H new ATOM 0 HD12 ILE A 871 25.131 -2.931 17.605 1.00 27.31 H new ATOM 0 HD13 ILE A 871 26.055 -3.141 16.336 1.00 27.31 H new ATOM 1482 N PHE A 872 27.670 -7.122 20.320 1.00 20.71 N ATOM 1483 CA PHE A 872 28.848 -7.626 20.957 1.00 23.11 C ATOM 1484 C PHE A 872 28.549 -8.839 21.831 1.00 24.50 C ATOM 1485 O PHE A 872 29.451 -9.270 22.543 1.00 25.53 O ATOM 1486 CB PHE A 872 29.513 -6.523 21.775 1.00 23.59 C ATOM 1487 CG PHE A 872 30.222 -5.559 20.925 1.00 20.70 C ATOM 1488 CD1 PHE A 872 31.469 -5.849 20.449 1.00 25.21 C ATOM 1489 CD2 PHE A 872 29.629 -4.420 20.541 1.00 22.66 C ATOM 1490 CE1 PHE A 872 32.121 -4.986 19.587 1.00 23.84 C ATOM 1491 CE2 PHE A 872 30.276 -3.507 19.674 1.00 25.35 C ATOM 1492 CZ PHE A 872 31.518 -3.783 19.213 1.00 26.36 C ATOM 0 H PHE A 872 27.205 -6.592 20.813 1.00 20.71 H new ATOM 0 HA PHE A 872 29.458 -7.918 20.262 1.00 23.11 H new ATOM 0 HB2 PHE A 872 28.840 -6.059 22.297 1.00 23.59 H new ATOM 0 HB3 PHE A 872 30.137 -6.919 22.403 1.00 23.59 H new ATOM 0 HD1 PHE A 872 31.886 -6.639 20.708 1.00 25.21 H new ATOM 0 HD2 PHE A 872 28.774 -4.225 20.851 1.00 22.66 H new ATOM 0 HE1 PHE A 872 32.962 -5.207 19.256 1.00 23.84 H new ATOM 0 HE2 PHE A 872 29.849 -2.720 19.422 1.00 25.35 H new ATOM 0 HZ PHE A 872 31.962 -3.183 18.658 1.00 26.36 H new ATOM 1493 N ALA A 873 27.291 -9.301 21.819 1.00 21.53 N ATOM 1494 CA ALA A 873 26.835 -10.517 22.521 1.00 23.36 C ATOM 1495 C ALA A 873 27.222 -10.512 24.010 1.00 24.76 C ATOM 1496 O ALA A 873 27.871 -11.455 24.537 1.00 24.32 O ATOM 1497 CB ALA A 873 27.431 -11.706 21.800 1.00 26.10 C ATOM 0 H ALA A 873 26.659 -8.905 21.390 1.00 21.53 H new ATOM 0 HA ALA A 873 25.866 -10.559 22.505 1.00 23.36 H new ATOM 0 HB1 ALA A 873 27.150 -12.525 22.238 1.00 26.10 H new ATOM 0 HB2 ALA A 873 27.127 -11.712 20.879 1.00 26.10 H new ATOM 0 HB3 ALA A 873 28.399 -11.645 21.820 1.00 26.10 H new ATOM 1498 N ILE A 874 26.798 -9.482 24.704 1.00 23.45 N ATOM 1499 CA ILE A 874 27.091 -9.301 26.067 1.00 26.12 C ATOM 1500 C ILE A 874 26.233 -10.300 26.825 1.00 30.89 C ATOM 1501 O ILE A 874 25.111 -10.471 26.471 1.00 23.14 O ATOM 1502 CB ILE A 874 26.734 -7.887 26.564 1.00 26.33 C ATOM 1503 CG1 ILE A 874 27.603 -6.850 25.909 1.00 26.15 C ATOM 1504 CG2 ILE A 874 26.830 -7.777 28.080 1.00 31.01 C ATOM 1505 CD1 ILE A 874 29.047 -7.044 26.132 1.00 29.14 C ATOM 0 H ILE A 874 26.315 -8.855 24.368 1.00 23.45 H new ATOM 0 HA ILE A 874 28.043 -9.426 26.207 1.00 26.12 H new ATOM 0 HB ILE A 874 25.811 -7.722 26.313 1.00 26.33 H new ATOM 0 HG12 ILE A 874 27.430 -6.854 24.955 1.00 26.15 H new ATOM 0 HG13 ILE A 874 27.350 -5.974 26.240 1.00 26.15 H new ATOM 0 HG21 ILE A 874 26.599 -6.876 28.355 1.00 31.01 H new ATOM 0 HG22 ILE A 874 26.216 -8.407 28.490 1.00 31.01 H new ATOM 0 HG23 ILE A 874 27.736 -7.978 28.363 1.00 31.01 H new ATOM 0 HD11 ILE A 874 29.541 -6.341 25.682 1.00 29.14 H new ATOM 0 HD12 ILE A 874 29.235 -7.013 27.083 1.00 29.14 H new ATOM 0 HD13 ILE A 874 29.316 -7.906 25.778 1.00 29.14 H new ATOM 1506 N GLN A 875 26.766 -10.909 27.889 1.00 28.53 N ATOM 1507 CA GLN A 875 26.049 -11.994 28.631 1.00 30.72 C ATOM 1508 C GLN A 875 24.782 -11.432 29.208 1.00 30.11 C ATOM 1509 O GLN A 875 24.820 -10.424 29.842 1.00 27.53 O ATOM 1510 CB GLN A 875 26.951 -12.588 29.753 1.00 33.38 C ATOM 1511 CG GLN A 875 26.235 -13.547 30.745 1.00 33.03 C ATOM 1512 CD GLN A 875 25.649 -14.776 30.053 1.00 33.10 C ATOM 1513 OE1 GLN A 875 26.337 -15.457 29.310 1.00 28.85 O ATOM 1514 NE2 GLN A 875 24.392 -15.058 30.289 1.00 32.27 N ATOM 0 H GLN A 875 27.541 -10.718 28.208 1.00 28.53 H new ATOM 0 HA GLN A 875 25.834 -12.715 28.019 1.00 30.72 H new ATOM 0 HB2 GLN A 875 27.686 -13.066 29.337 1.00 33.38 H new ATOM 0 HB3 GLN A 875 27.339 -11.856 30.257 1.00 33.38 H new ATOM 0 HG2 GLN A 875 26.865 -13.832 31.425 1.00 33.03 H new ATOM 0 HG3 GLN A 875 25.525 -13.066 31.199 1.00 33.03 H new ATOM 0 HE21 GLN A 875 23.931 -14.560 30.817 1.00 32.27 H new ATOM 0 HE22 GLN A 875 24.027 -15.741 29.916 1.00 32.27 H new ATOM 1515 N GLU A 876 23.646 -12.015 28.895 1.00 30.51 N ATOM 1516 CA GLU A 876 22.397 -11.607 29.533 1.00 38.97 C ATOM 1517 C GLU A 876 22.413 -11.729 31.072 1.00 42.21 C ATOM 1518 O GLU A 876 22.925 -12.743 31.635 1.00 33.57 O ATOM 1519 CB GLU A 876 21.235 -12.387 28.937 1.00 43.16 C ATOM 1520 CG GLU A 876 20.875 -11.937 27.508 1.00 48.98 C ATOM 1521 CD GLU A 876 20.008 -10.658 27.482 1.00 50.52 C ATOM 1522 OE1 GLU A 876 18.963 -10.615 28.157 1.00 52.21 O ATOM 1523 OE2 GLU A 876 20.365 -9.690 26.797 1.00 51.11 O ATOM 0 H GLU A 876 23.567 -12.648 28.318 1.00 30.51 H new ATOM 0 HA GLU A 876 22.287 -10.661 29.350 1.00 38.97 H new ATOM 0 HB2 GLU A 876 21.458 -13.331 28.927 1.00 43.16 H new ATOM 0 HB3 GLU A 876 20.457 -12.285 29.508 1.00 43.16 H new ATOM 0 HG2 GLU A 876 21.691 -11.779 27.008 1.00 48.98 H new ATOM 0 HG3 GLU A 876 20.400 -12.653 27.058 1.00 48.98 H new ATOM 1524 N THR A 877 21.914 -10.682 31.753 1.00 48.54 N ATOM 1525 CA THR A 877 21.752 -10.691 33.264 1.00 60.02 C ATOM 1526 C THR A 877 20.381 -10.154 33.708 1.00 71.65 C ATOM 1527 O THR A 877 19.763 -9.340 33.006 1.00 75.37 O ATOM 1528 CB THR A 877 22.798 -9.801 34.019 1.00 63.14 C ATOM 1529 OG1 THR A 877 22.760 -8.465 33.492 1.00 60.78 O ATOM 1530 CG2 THR A 877 24.240 -10.364 33.957 1.00 57.78 C ATOM 0 H THR A 877 21.659 -9.951 31.379 1.00 48.54 H new ATOM 0 HA THR A 877 21.871 -11.627 33.491 1.00 60.02 H new ATOM 0 HB THR A 877 22.548 -9.800 34.956 1.00 63.14 H new ATOM 0 HG1 THR A 877 23.320 -7.988 33.898 1.00 60.78 H new ATOM 0 HG21 THR A 877 24.839 -9.773 34.439 1.00 57.78 H new ATOM 0 HG22 THR A 877 24.261 -11.246 34.361 1.00 57.78 H new ATOM 0 HG23 THR A 877 24.524 -10.426 33.032 1.00 57.78 H new ATOM 1531 N SER A 878 19.928 -10.584 34.888 1.00 88.38 N ATOM 1532 CA SER A 878 18.827 -9.886 35.598 1.00 95.69 C ATOM 1533 C SER A 878 19.318 -8.532 36.102 1.00 87.48 C ATOM 1534 O SER A 878 18.555 -7.793 36.718 1.00 99.65 O ATOM 1535 CB SER A 878 18.284 -10.712 36.782 1.00 94.37 C ATOM 1536 OG SER A 878 19.327 -11.125 37.654 1.00 90.79 O ATOM 0 H SER A 878 20.237 -11.273 35.300 1.00 88.38 H new ATOM 0 HA SER A 878 18.101 -9.765 34.966 1.00 95.69 H new ATOM 0 HB2 SER A 878 17.638 -10.184 37.277 1.00 94.37 H new ATOM 0 HB3 SER A 878 17.815 -11.492 36.445 1.00 94.37 H new ATOM 0 HG SER A 878 19.003 -11.570 38.288 1.00 90.79 H new TER 1537 SER A 878 ATOM 1538 N GLU B 700 -6.549 40.851 40.715 1.00 72.75 N ATOM 1539 CA GLU B 700 -5.517 40.873 39.620 1.00 68.04 C ATOM 1540 C GLU B 700 -5.500 39.666 38.622 1.00 63.20 C ATOM 1541 O GLU B 700 -4.865 39.806 37.596 1.00 80.55 O ATOM 1542 CB GLU B 700 -4.100 41.125 40.208 1.00 57.44 C ATOM 0 HA GLU B 700 -5.799 41.615 39.062 1.00 68.04 H new ATOM 1543 N ASN B 701 -6.133 38.516 38.914 1.00 51.18 N ATOM 1544 CA ASN B 701 -6.331 37.414 37.918 1.00 52.74 C ATOM 1545 C ASN B 701 -7.767 37.113 37.467 1.00 56.70 C ATOM 1546 O ASN B 701 -8.688 37.235 38.248 1.00 62.90 O ATOM 1547 CB ASN B 701 -5.720 36.108 38.427 1.00 50.79 C ATOM 1548 CG ASN B 701 -4.191 36.166 38.449 1.00 56.38 C ATOM 1549 OD1 ASN B 701 -3.504 35.782 37.453 1.00 45.08 O ATOM 1550 ND2 ASN B 701 -3.639 36.654 39.581 1.00 50.56 N ATOM 0 H ASN B 701 -6.462 38.344 39.690 1.00 51.18 H new ATOM 0 HA ASN B 701 -5.881 37.765 37.134 1.00 52.74 H new ATOM 0 HB2 ASN B 701 -6.049 35.923 39.320 1.00 50.79 H new ATOM 0 HB3 ASN B 701 -6.008 35.374 37.861 1.00 50.79 H new ATOM 0 HD21 ASN B 701 -2.784 36.716 39.651 1.00 50.56 H new ATOM 0 HD22 ASN B 701 -4.142 36.903 40.232 1.00 50.56 H new ATOM 1551 N SER B 702 -7.945 36.663 36.222 1.00 49.00 N ATOM 1552 CA SER B 702 -9.242 36.209 35.744 1.00 44.73 C ATOM 1553 C SER B 702 -9.879 35.151 36.656 1.00 42.27 C ATOM 1554 O SER B 702 -9.178 34.341 37.231 1.00 36.03 O ATOM 1555 CB SER B 702 -9.140 35.643 34.315 1.00 42.98 C ATOM 1556 OG SER B 702 -10.456 35.380 33.813 1.00 41.39 O ATOM 0 H SER B 702 -7.317 36.615 35.637 1.00 49.00 H new ATOM 0 HA SER B 702 -9.813 36.993 35.749 1.00 44.73 H new ATOM 0 HB2 SER B 702 -8.683 36.275 33.738 1.00 42.98 H new ATOM 0 HB3 SER B 702 -8.614 34.828 34.316 1.00 42.98 H new ATOM 0 HG SER B 702 -10.402 35.072 33.033 1.00 41.39 H new ATOM 1557 N ASN B 703 -11.218 35.154 36.771 1.00 39.62 N ATOM 1558 CA ASN B 703 -11.954 34.029 37.419 1.00 41.34 C ATOM 1559 C ASN B 703 -12.492 32.984 36.431 1.00 34.29 C ATOM 1560 O ASN B 703 -13.284 32.129 36.768 1.00 36.19 O ATOM 1561 CB ASN B 703 -13.098 34.582 38.275 1.00 53.41 C ATOM 1562 CG ASN B 703 -14.169 35.275 37.433 1.00 63.80 C ATOM 1563 OD1 ASN B 703 -13.887 35.804 36.342 1.00 67.70 O ATOM 1564 ND2 ASN B 703 -15.389 35.338 37.963 1.00 74.92 N ATOM 0 H ASN B 703 -11.722 35.789 36.485 1.00 39.62 H new ATOM 0 HA ASN B 703 -11.308 33.565 37.974 1.00 41.34 H new ATOM 0 HB2 ASN B 703 -13.503 33.858 38.777 1.00 53.41 H new ATOM 0 HB3 ASN B 703 -12.741 35.211 38.922 1.00 53.41 H new ATOM 0 HD21 ASN B 703 -16.017 35.756 37.549 1.00 74.92 H new ATOM 0 HD22 ASN B 703 -15.549 34.961 38.719 1.00 74.92 H new ATOM 1565 N ILE B 704 -12.054 33.021 35.178 1.00 38.09 N ATOM 1566 CA ILE B 704 -12.380 31.917 34.232 1.00 37.16 C ATOM 1567 C ILE B 704 -11.088 31.427 33.529 1.00 30.67 C ATOM 1568 O ILE B 704 -10.160 32.200 33.341 1.00 29.11 O ATOM 1569 CB ILE B 704 -13.430 32.333 33.174 1.00 38.61 C ATOM 1570 CG1 ILE B 704 -12.986 33.588 32.448 1.00 42.02 C ATOM 1571 CG2 ILE B 704 -14.813 32.520 33.797 1.00 42.95 C ATOM 1572 CD1 ILE B 704 -13.885 33.925 31.282 1.00 46.49 C ATOM 0 H ILE B 704 -11.576 33.655 34.846 1.00 38.09 H new ATOM 0 HA ILE B 704 -12.768 31.197 34.753 1.00 37.16 H new ATOM 0 HB ILE B 704 -13.500 31.614 32.527 1.00 38.61 H new ATOM 0 HG12 ILE B 704 -12.974 34.332 33.070 1.00 42.02 H new ATOM 0 HG13 ILE B 704 -12.077 33.470 32.130 1.00 42.02 H new ATOM 0 HG21 ILE B 704 -15.446 32.780 33.109 1.00 42.95 H new ATOM 0 HG22 ILE B 704 -15.101 31.687 34.203 1.00 42.95 H new ATOM 0 HG23 ILE B 704 -14.772 33.212 34.475 1.00 42.95 H new ATOM 0 HD11 ILE B 704 -13.565 34.732 30.849 1.00 46.49 H new ATOM 0 HD12 ILE B 704 -13.879 33.193 30.646 1.00 46.49 H new ATOM 0 HD13 ILE B 704 -14.790 34.068 31.601 1.00 46.49 H new ATOM 1573 N CYS B 705 -11.080 30.136 33.186 1.00 27.91 N ATOM 1574 CA CYS B 705 -10.027 29.538 32.380 1.00 26.37 C ATOM 1575 C CYS B 705 -9.901 30.259 31.076 1.00 26.98 C ATOM 1576 O CYS B 705 -10.873 30.374 30.354 1.00 27.27 O ATOM 1577 CB CYS B 705 -10.338 28.114 32.120 1.00 27.68 C ATOM 1578 SG CYS B 705 -9.059 27.180 31.133 1.00 24.19 S ATOM 0 H CYS B 705 -11.695 29.582 33.420 1.00 27.91 H new ATOM 0 HA CYS B 705 -9.190 29.605 32.866 1.00 26.37 H new ATOM 0 HB2 CYS B 705 -10.458 27.665 32.971 1.00 27.68 H new ATOM 0 HB3 CYS B 705 -11.185 28.065 31.651 1.00 27.68 H new ATOM 1579 N GLU B 706 -8.689 30.660 30.743 1.00 27.07 N ATOM 1580 CA GLU B 706 -8.384 31.337 29.479 1.00 28.59 C ATOM 1581 C GLU B 706 -8.726 30.517 28.246 1.00 25.83 C ATOM 1582 O GLU B 706 -8.987 31.095 27.217 1.00 28.93 O ATOM 1583 CB GLU B 706 -6.890 31.627 29.417 1.00 29.16 C ATOM 1584 CG GLU B 706 -6.394 32.449 28.233 1.00 33.87 C ATOM 1585 CD GLU B 706 -6.667 33.936 28.420 1.00 38.69 C ATOM 1586 OE1 GLU B 706 -7.269 34.288 29.488 1.00 43.02 O ATOM 1587 OE2 GLU B 706 -6.221 34.720 27.536 1.00 39.66 O ATOM 0 H GLU B 706 -8.002 30.548 31.248 1.00 27.07 H new ATOM 0 HA GLU B 706 -8.927 32.141 29.469 1.00 28.59 H new ATOM 0 HB2 GLU B 706 -6.638 32.089 30.232 1.00 29.16 H new ATOM 0 HB3 GLU B 706 -6.418 30.780 29.415 1.00 29.16 H new ATOM 0 HG2 GLU B 706 -5.441 32.307 28.118 1.00 33.87 H new ATOM 0 HG3 GLU B 706 -6.827 32.141 27.422 1.00 33.87 H new ATOM 1588 N VAL B 707 -8.705 29.215 28.357 1.00 22.42 N ATOM 1589 CA VAL B 707 -8.813 28.353 27.206 1.00 24.61 C ATOM 1590 C VAL B 707 -10.267 27.993 26.964 1.00 27.18 C ATOM 1591 O VAL B 707 -10.767 28.162 25.856 1.00 28.98 O ATOM 1592 CB VAL B 707 -7.996 27.065 27.395 1.00 23.32 C ATOM 1593 CG1 VAL B 707 -8.125 26.142 26.230 1.00 25.16 C ATOM 1594 CG2 VAL B 707 -6.524 27.413 27.618 1.00 23.66 C ATOM 0 H VAL B 707 -8.627 28.799 29.106 1.00 22.42 H new ATOM 0 HA VAL B 707 -8.460 28.833 26.441 1.00 24.61 H new ATOM 0 HB VAL B 707 -8.350 26.606 28.173 1.00 23.32 H new ATOM 0 HG11 VAL B 707 -7.596 25.344 26.389 1.00 25.16 H new ATOM 0 HG12 VAL B 707 -9.056 25.895 26.114 1.00 25.16 H new ATOM 0 HG13 VAL B 707 -7.807 26.586 25.428 1.00 25.16 H new ATOM 0 HG21 VAL B 707 -6.013 26.597 27.737 1.00 23.66 H new ATOM 0 HG22 VAL B 707 -6.186 27.897 26.849 1.00 23.66 H new ATOM 0 HG23 VAL B 707 -6.438 27.966 28.410 1.00 23.66 H new ATOM 1595 N CYS B 708 -10.931 27.500 28.005 1.00 26.24 N ATOM 1596 CA CYS B 708 -12.305 26.985 27.875 1.00 25.91 C ATOM 1597 C CYS B 708 -13.379 27.911 28.452 1.00 28.85 C ATOM 1598 O CYS B 708 -14.551 27.585 28.361 1.00 29.11 O ATOM 1599 CB CYS B 708 -12.458 25.609 28.509 1.00 25.52 C ATOM 1600 SG CYS B 708 -12.448 25.626 30.354 1.00 26.60 S ATOM 0 H CYS B 708 -10.608 27.452 28.801 1.00 26.24 H new ATOM 0 HA CYS B 708 -12.447 26.930 26.917 1.00 25.91 H new ATOM 0 HB2 CYS B 708 -13.289 25.213 28.203 1.00 25.52 H new ATOM 0 HB3 CYS B 708 -11.739 25.037 28.196 1.00 25.52 H new ATOM 1601 N ASN B 709 -12.982 29.053 28.989 1.00 30.29 N ATOM 1602 CA ASN B 709 -13.888 30.057 29.578 1.00 34.02 C ATOM 1603 C ASN B 709 -14.827 29.596 30.711 1.00 36.66 C ATOM 1604 O ASN B 709 -15.802 30.277 30.978 1.00 37.94 O ATOM 1605 CB ASN B 709 -14.659 30.776 28.478 1.00 33.04 C ATOM 1606 CG ASN B 709 -13.753 31.280 27.400 1.00 42.06 C ATOM 1607 OD1 ASN B 709 -13.710 30.714 26.299 1.00 43.64 O ATOM 1608 ND2 ASN B 709 -12.979 32.315 27.708 1.00 40.76 N ATOM 0 H ASN B 709 -12.154 29.282 29.027 1.00 30.29 H new ATOM 0 HA ASN B 709 -13.289 30.664 30.040 1.00 34.02 H new ATOM 0 HB2 ASN B 709 -15.313 30.171 28.094 1.00 33.04 H new ATOM 0 HB3 ASN B 709 -15.150 31.520 28.861 1.00 33.04 H new ATOM 0 HD21 ASN B 709 -12.418 32.619 27.131 1.00 40.76 H new ATOM 0 HD22 ASN B 709 -13.039 32.681 28.484 1.00 40.76 H new ATOM 1609 N LYS B 710 -14.535 28.480 31.375 1.00 28.91 N ATOM 1610 CA LYS B 710 -15.299 27.982 32.486 1.00 32.40 C ATOM 1611 C LYS B 710 -14.586 28.285 33.873 1.00 37.64 C ATOM 1612 O LYS B 710 -13.372 28.559 33.991 1.00 37.44 O ATOM 1613 CB LYS B 710 -15.466 26.477 32.354 1.00 33.62 C ATOM 1614 CG LYS B 710 -16.188 25.993 31.105 1.00 43.86 C ATOM 1615 CD LYS B 710 -17.567 26.598 31.002 1.00 53.35 C ATOM 1616 CE LYS B 710 -18.246 26.334 29.667 1.00 66.49 C ATOM 1617 NZ LYS B 710 -19.633 26.895 29.620 1.00 69.10 N ATOM 0 H LYS B 710 -13.862 27.983 31.176 1.00 28.91 H new ATOM 0 HA LYS B 710 -16.159 28.430 32.473 1.00 32.40 H new ATOM 0 HB2 LYS B 710 -14.586 26.069 32.376 1.00 33.62 H new ATOM 0 HB3 LYS B 710 -15.949 26.154 33.131 1.00 33.62 H new ATOM 0 HG2 LYS B 710 -15.670 26.226 30.318 1.00 43.86 H new ATOM 0 HG3 LYS B 710 -16.257 25.026 31.123 1.00 43.86 H new ATOM 0 HD2 LYS B 710 -18.122 26.244 31.715 1.00 53.35 H new ATOM 0 HD3 LYS B 710 -17.504 27.556 31.141 1.00 53.35 H new ATOM 0 HE2 LYS B 710 -17.717 26.723 28.954 1.00 66.49 H new ATOM 0 HE3 LYS B 710 -18.279 25.378 29.506 1.00 66.49 H new ATOM 0 HZ1 LYS B 710 -19.997 26.722 28.827 1.00 69.10 H new ATOM 0 HZ2 LYS B 710 -20.126 26.522 30.260 1.00 69.10 H new ATOM 0 HZ3 LYS B 710 -19.602 27.776 29.745 1.00 69.10 H new ATOM 1618 N TRP B 711 -15.355 28.223 34.941 1.00 38.32 N ATOM 1619 CA TRP B 711 -14.901 28.619 36.280 1.00 37.42 C ATOM 1620 C TRP B 711 -14.384 27.358 36.943 1.00 35.12 C ATOM 1621 O TRP B 711 -14.516 26.265 36.424 1.00 31.67 O ATOM 1622 CB TRP B 711 -16.080 29.236 37.119 1.00 47.51 C ATOM 1623 CG TRP B 711 -16.819 28.199 37.917 1.00 51.56 C ATOM 1624 CD1 TRP B 711 -17.532 27.120 37.410 1.00 58.00 C ATOM 1625 CD2 TRP B 711 -16.877 28.081 39.371 1.00 54.65 C ATOM 1626 NE1 TRP B 711 -18.020 26.344 38.459 1.00 67.31 N ATOM 1627 CE2 TRP B 711 -17.634 26.896 39.665 1.00 62.33 C ATOM 1628 CE3 TRP B 711 -16.387 28.867 40.453 1.00 59.03 C ATOM 1629 CZ2 TRP B 711 -17.919 26.470 41.021 1.00 57.47 C ATOM 1630 CZ3 TRP B 711 -16.676 28.440 41.805 1.00 55.97 C ATOM 1631 CH2 TRP B 711 -17.429 27.252 42.060 1.00 52.33 C ATOM 0 H TRP B 711 -16.169 27.947 34.919 1.00 38.32 H new ATOM 0 HA TRP B 711 -14.212 29.300 36.224 1.00 37.42 H new ATOM 0 HB2 TRP B 711 -15.728 29.912 37.719 1.00 47.51 H new ATOM 0 HB3 TRP B 711 -16.700 29.683 36.521 1.00 47.51 H new ATOM 0 HD1 TRP B 711 -17.664 26.942 36.507 1.00 58.00 H new ATOM 0 HE1 TRP B 711 -18.490 25.630 38.369 1.00 67.31 H new ATOM 0 HE3 TRP B 711 -15.892 29.638 40.294 1.00 59.03 H new ATOM 0 HZ2 TRP B 711 -18.413 25.700 41.190 1.00 57.47 H new ATOM 0 HZ3 TRP B 711 -16.366 28.947 42.520 1.00 55.97 H new ATOM 0 HH2 TRP B 711 -17.594 26.997 42.939 1.00 52.33 H new ATOM 1632 N GLY B 712 -13.817 27.520 38.140 1.00 34.55 N ATOM 1633 CA GLY B 712 -13.504 26.390 38.973 1.00 34.88 C ATOM 1634 C GLY B 712 -12.126 25.808 38.795 1.00 37.56 C ATOM 1635 O GLY B 712 -11.639 25.673 37.703 1.00 37.06 O ATOM 0 H GLY B 712 -13.610 28.283 38.478 1.00 34.55 H new ATOM 0 HA2 GLY B 712 -13.608 26.654 39.900 1.00 34.88 H new ATOM 0 HA3 GLY B 712 -14.156 25.693 38.802 1.00 34.88 H new ATOM 1636 N ARG B 713 -11.493 25.485 39.910 1.00 38.44 N ATOM 1637 CA ARG B 713 -10.265 24.675 39.909 1.00 37.49 C ATOM 1638 C ARG B 713 -9.135 25.366 39.106 1.00 27.23 C ATOM 1639 O ARG B 713 -8.484 24.747 38.364 1.00 29.51 O ATOM 1640 CB ARG B 713 -10.639 23.283 39.389 1.00 38.13 C ATOM 1641 CG ARG B 713 -9.754 22.178 39.903 1.00 47.65 C ATOM 1642 CD ARG B 713 -10.152 20.775 39.471 1.00 53.55 C ATOM 1643 NE ARG B 713 -11.332 20.206 40.150 1.00 62.48 N ATOM 1644 CZ ARG B 713 -12.596 20.232 39.703 1.00 71.72 C ATOM 1645 NH1 ARG B 713 -13.553 19.647 40.433 1.00 72.45 N ATOM 1646 NH2 ARG B 713 -12.934 20.851 38.555 1.00 80.41 N ATOM 0 H ARG B 713 -11.755 25.724 40.693 1.00 38.44 H new ATOM 0 HA ARG B 713 -9.901 24.583 40.803 1.00 37.49 H new ATOM 0 HB2 ARG B 713 -11.557 23.091 39.637 1.00 38.13 H new ATOM 0 HB3 ARG B 713 -10.602 23.290 38.420 1.00 38.13 H new ATOM 0 HG2 ARG B 713 -8.846 22.347 39.607 1.00 47.65 H new ATOM 0 HG3 ARG B 713 -9.748 22.213 40.872 1.00 47.65 H new ATOM 0 HD2 ARG B 713 -10.322 20.785 38.516 1.00 53.55 H new ATOM 0 HD3 ARG B 713 -9.398 20.183 39.619 1.00 53.55 H new ATOM 0 HE ARG B 713 -11.196 19.820 40.906 1.00 62.48 H new ATOM 0 HH11 ARG B 713 -13.353 19.263 41.176 1.00 72.45 H new ATOM 0 HH12 ARG B 713 -14.368 19.656 40.159 1.00 72.45 H new ATOM 0 HH21 ARG B 713 -12.331 21.245 38.085 1.00 80.41 H new ATOM 0 HH22 ARG B 713 -13.753 20.852 38.292 1.00 80.41 H new ATOM 1647 N LEU B 714 -9.003 26.662 39.254 1.00 24.70 N ATOM 1648 CA LEU B 714 -8.109 27.464 38.523 1.00 24.19 C ATOM 1649 C LEU B 714 -6.700 27.664 39.137 1.00 31.70 C ATOM 1650 O LEU B 714 -6.532 27.778 40.362 1.00 28.79 O ATOM 1651 CB LEU B 714 -8.743 28.848 38.298 1.00 27.01 C ATOM 1652 CG LEU B 714 -10.034 28.836 37.463 1.00 30.48 C ATOM 1653 CD1 LEU B 714 -10.527 30.280 37.371 1.00 31.80 C ATOM 1654 CD2 LEU B 714 -9.852 28.257 36.031 1.00 30.05 C ATOM 0 H LEU B 714 -9.468 27.110 39.822 1.00 24.70 H new ATOM 0 HA LEU B 714 -7.960 26.974 37.699 1.00 24.19 H new ATOM 0 HB2 LEU B 714 -8.935 29.247 39.161 1.00 27.01 H new ATOM 0 HB3 LEU B 714 -8.094 29.420 37.859 1.00 27.01 H new ATOM 0 HG LEU B 714 -10.672 28.253 37.903 1.00 30.48 H new ATOM 0 HD11 LEU B 714 -11.344 30.311 36.849 1.00 31.80 H new ATOM 0 HD12 LEU B 714 -10.701 30.620 38.263 1.00 31.80 H new ATOM 0 HD13 LEU B 714 -9.850 30.827 36.943 1.00 31.80 H new ATOM 0 HD21 LEU B 714 -10.701 28.279 35.562 1.00 30.05 H new ATOM 0 HD22 LEU B 714 -9.202 28.789 35.547 1.00 30.05 H new ATOM 0 HD23 LEU B 714 -9.540 27.341 36.090 1.00 30.05 H new ATOM 1655 N PHE B 715 -5.710 27.739 38.251 1.00 30.92 N ATOM 1656 CA PHE B 715 -4.334 28.081 38.609 1.00 29.98 C ATOM 1657 C PHE B 715 -4.099 29.409 37.997 1.00 31.40 C ATOM 1658 O PHE B 715 -4.417 29.598 36.790 1.00 30.90 O ATOM 1659 CB PHE B 715 -3.429 27.074 38.018 1.00 30.14 C ATOM 1660 CG PHE B 715 -3.508 25.734 38.662 1.00 26.45 C ATOM 1661 CD1 PHE B 715 -4.412 24.815 38.242 1.00 28.77 C ATOM 1662 CD2 PHE B 715 -2.616 25.376 39.676 1.00 31.07 C ATOM 1663 CE1 PHE B 715 -4.447 23.561 38.791 1.00 29.37 C ATOM 1664 CE2 PHE B 715 -2.631 24.131 40.243 1.00 26.62 C ATOM 1665 CZ PHE B 715 -3.550 23.213 39.818 1.00 31.82 C ATOM 0 H PHE B 715 -5.820 27.590 37.411 1.00 30.92 H new ATOM 0 HA PHE B 715 -4.180 28.098 39.567 1.00 29.98 H new ATOM 0 HB2 PHE B 715 -3.635 26.982 37.075 1.00 30.14 H new ATOM 0 HB3 PHE B 715 -2.517 27.398 38.078 1.00 30.14 H new ATOM 0 HD1 PHE B 715 -5.017 25.039 37.572 1.00 28.77 H new ATOM 0 HD2 PHE B 715 -1.995 26.001 39.974 1.00 31.07 H new ATOM 0 HE1 PHE B 715 -5.065 22.938 38.484 1.00 29.37 H new ATOM 0 HE2 PHE B 715 -2.022 23.912 40.911 1.00 26.62 H new ATOM 0 HZ PHE B 715 -3.582 22.367 40.203 1.00 31.82 H new ATOM 1666 N CYS B 716 -3.621 30.361 38.812 1.00 31.94 N ATOM 1667 CA ACYS B 716 -3.355 31.719 38.312 0.64 36.17 C ATOM 1668 CA BCYS B 716 -3.328 31.749 38.390 0.36 36.51 C ATOM 1669 C CYS B 716 -1.896 31.919 37.899 1.00 32.55 C ATOM 1670 O CYS B 716 -0.984 31.466 38.558 1.00 36.63 O ATOM 1671 CB ACYS B 716 -3.764 32.764 39.356 0.64 42.84 C ATOM 1672 CB BCYS B 716 -3.535 32.729 39.574 0.36 42.11 C ATOM 1673 SG ACYS B 716 -5.495 32.580 39.873 0.64 45.66 S ATOM 1674 SG BCYS B 716 -2.219 32.805 40.849 0.36 51.28 S ATOM 0 H ACYS B 716 -3.446 30.243 39.646 0.64 31.94 H new ATOM 0 H BCYS B 716 -3.454 30.218 39.643 0.36 31.94 H new ATOM 0 HA ACYS B 716 -3.893 31.836 37.514 0.64 36.51 H new ATOM 0 HA BCYS B 716 -3.938 31.944 37.662 0.36 36.51 H new ATOM 0 HB2ACYS B 716 -3.187 32.686 40.132 0.64 42.11 H new ATOM 0 HB2BCYS B 716 -3.650 33.620 39.209 0.36 42.11 H new ATOM 0 HB3ACYS B 716 -3.630 33.653 38.991 0.64 42.11 H new ATOM 0 HB3BCYS B 716 -4.366 32.494 40.015 0.36 42.11 H new ATOM 0 HG ACYS B 716 -6.213 32.702 38.919 0.64 51.28 H new ATOM 0 HG BCYS B 716 -1.225 32.279 40.430 0.36 51.28 H new ATOM 1675 N CYS B 717 -1.692 32.595 36.774 1.00 31.54 N ATOM 1676 CA CYS B 717 -0.331 32.986 36.378 1.00 34.27 C ATOM 1677 C CYS B 717 0.188 34.111 37.377 1.00 40.41 C ATOM 1678 O CYS B 717 -0.592 35.021 37.767 1.00 37.30 O ATOM 1679 CB CYS B 717 -0.317 33.481 34.922 1.00 33.35 C ATOM 1680 SG CYS B 717 1.305 33.981 34.308 1.00 30.44 S ATOM 0 H CYS B 717 -2.313 32.837 36.230 1.00 31.54 H new ATOM 0 HA CYS B 717 0.262 32.220 36.428 1.00 34.27 H new ATOM 0 HB2 CYS B 717 -0.662 32.777 34.351 1.00 33.35 H new ATOM 0 HB3 CYS B 717 -0.924 34.233 34.844 1.00 33.35 H new ATOM 1681 N ASP B 718 1.480 34.066 37.726 1.00 41.11 N ATOM 1682 CA ASP B 718 2.074 35.079 38.575 1.00 42.93 C ATOM 1683 C ASP B 718 2.559 36.281 37.825 1.00 45.44 C ATOM 1684 O ASP B 718 2.859 37.282 38.450 1.00 51.50 O ATOM 1685 CB ASP B 718 3.167 34.471 39.437 1.00 47.86 C ATOM 1686 CG ASP B 718 2.586 33.525 40.489 1.00 59.18 C ATOM 1687 OD1 ASP B 718 1.666 33.989 41.191 1.00 71.38 O ATOM 1688 OD2 ASP B 718 2.992 32.331 40.616 1.00 55.83 O ATOM 0 H ASP B 718 2.024 33.449 37.475 1.00 41.11 H new ATOM 0 HA ASP B 718 1.369 35.409 39.153 1.00 42.93 H new ATOM 0 HB2 ASP B 718 3.793 33.988 38.875 1.00 47.86 H new ATOM 0 HB3 ASP B 718 3.666 35.178 39.875 1.00 47.86 H new ATOM 1689 N THR B 719 2.619 36.241 36.498 1.00 43.50 N ATOM 1690 CA THR B 719 3.143 37.370 35.765 1.00 36.77 C ATOM 1691 C THR B 719 2.184 38.018 34.856 1.00 35.75 C ATOM 1692 O THR B 719 2.538 38.998 34.217 1.00 39.69 O ATOM 1693 CB THR B 719 4.450 36.958 35.063 1.00 44.68 C ATOM 1694 OG1 THR B 719 4.294 35.685 34.418 1.00 36.55 O ATOM 1695 CG2 THR B 719 5.567 36.808 36.149 1.00 42.77 C ATOM 0 H THR B 719 2.364 35.577 36.015 1.00 43.50 H new ATOM 0 HA THR B 719 3.332 38.067 36.413 1.00 36.77 H new ATOM 0 HB THR B 719 4.680 37.631 34.403 1.00 44.68 H new ATOM 0 HG1 THR B 719 3.910 35.791 33.678 1.00 36.55 H new ATOM 0 HG21 THR B 719 6.399 36.548 35.724 1.00 42.77 H new ATOM 0 HG22 THR B 719 5.689 37.654 36.607 1.00 42.77 H new ATOM 0 HG23 THR B 719 5.306 36.128 36.790 1.00 42.77 H new ATOM 1696 N CYS B 720 0.968 37.458 34.744 1.00 38.21 N ATOM 1697 CA CYS B 720 -0.094 38.096 34.024 1.00 32.31 C ATOM 1698 C CYS B 720 -1.486 37.817 34.655 1.00 32.74 C ATOM 1699 O CYS B 720 -1.604 36.983 35.548 1.00 31.55 O ATOM 1700 CB CYS B 720 -0.022 37.684 32.548 1.00 31.81 C ATOM 1701 SG CYS B 720 -0.863 36.094 32.117 1.00 30.01 S ATOM 0 H CYS B 720 0.756 36.699 35.089 1.00 38.21 H new ATOM 0 HA CYS B 720 0.022 39.057 34.082 1.00 32.31 H new ATOM 0 HB2 CYS B 720 -0.412 38.392 32.012 1.00 31.81 H new ATOM 0 HB3 CYS B 720 0.912 37.616 32.293 1.00 31.81 H new ATOM 1702 N PRO B 721 -2.561 38.436 34.120 1.00 32.08 N ATOM 1703 CA PRO B 721 -3.859 38.187 34.761 1.00 37.95 C ATOM 1704 C PRO B 721 -4.545 36.857 34.400 1.00 35.44 C ATOM 1705 O PRO B 721 -5.604 36.616 34.877 1.00 30.82 O ATOM 1706 CB PRO B 721 -4.733 39.341 34.264 1.00 40.29 C ATOM 1707 CG PRO B 721 -4.037 39.922 33.069 1.00 43.94 C ATOM 1708 CD PRO B 721 -2.656 39.354 32.971 1.00 39.18 C ATOM 0 HA PRO B 721 -3.731 38.130 35.721 1.00 37.95 H new ATOM 0 HB2 PRO B 721 -5.619 39.025 34.027 1.00 40.29 H new ATOM 0 HB3 PRO B 721 -4.846 40.011 34.956 1.00 40.29 H new ATOM 0 HG2 PRO B 721 -4.537 39.722 32.262 1.00 43.94 H new ATOM 0 HG3 PRO B 721 -3.995 40.888 33.145 1.00 43.94 H new ATOM 0 HD2 PRO B 721 -2.524 38.886 32.132 1.00 39.18 H new ATOM 0 HD3 PRO B 721 -1.982 40.050 33.017 1.00 39.18 H new ATOM 1709 N ARG B 722 -3.979 36.029 33.520 1.00 33.87 N ATOM 1710 CA ARG B 722 -4.668 34.811 33.056 1.00 30.70 C ATOM 1711 C ARG B 722 -4.733 33.721 34.100 1.00 26.39 C ATOM 1712 O ARG B 722 -3.914 33.598 35.028 1.00 34.31 O ATOM 1713 CB ARG B 722 -4.022 34.267 31.791 1.00 28.19 C ATOM 1714 CG ARG B 722 -4.105 35.216 30.637 1.00 30.17 C ATOM 1715 CD ARG B 722 -3.293 34.691 29.486 1.00 28.00 C ATOM 1716 NE ARG B 722 -3.269 35.550 28.340 1.00 27.99 N ATOM 1717 CZ ARG B 722 -2.334 36.468 28.114 1.00 28.90 C ATOM 1718 NH1 ARG B 722 -1.376 36.692 28.997 1.00 32.90 N ATOM 1719 NH2 ARG B 722 -2.395 37.201 27.014 1.00 32.40 N ATOM 0 H ARG B 722 -3.199 36.150 33.178 1.00 33.87 H new ATOM 0 HA ARG B 722 -5.580 35.083 32.869 1.00 30.70 H new ATOM 0 HB2 ARG B 722 -3.090 34.065 31.971 1.00 28.19 H new ATOM 0 HB3 ARG B 722 -4.451 33.432 31.548 1.00 28.19 H new ATOM 0 HG2 ARG B 722 -5.030 35.329 30.366 1.00 30.17 H new ATOM 0 HG3 ARG B 722 -3.778 36.090 30.902 1.00 30.17 H new ATOM 0 HD2 ARG B 722 -2.382 34.545 29.787 1.00 28.00 H new ATOM 0 HD3 ARG B 722 -3.647 33.827 29.222 1.00 28.00 H new ATOM 0 HE ARG B 722 -3.900 35.467 27.761 1.00 27.99 H new ATOM 0 HH11 ARG B 722 -1.352 36.241 29.729 1.00 32.90 H new ATOM 0 HH12 ARG B 722 -0.777 37.288 28.839 1.00 32.90 H new ATOM 0 HH21 ARG B 722 -3.035 37.082 26.453 1.00 32.40 H new ATOM 0 HH22 ARG B 722 -1.794 37.797 26.860 1.00 32.40 H new ATOM 1720 N SER B 723 -5.752 32.906 33.980 1.00 26.23 N ATOM 1721 CA SER B 723 -5.932 31.758 34.814 1.00 27.20 C ATOM 1722 C SER B 723 -6.242 30.512 33.919 1.00 25.81 C ATOM 1723 O SER B 723 -6.758 30.674 32.790 1.00 30.95 O ATOM 1724 CB SER B 723 -7.102 31.980 35.826 1.00 35.89 C ATOM 1725 OG SER B 723 -6.888 33.096 36.714 1.00 38.29 O ATOM 0 H SER B 723 -6.373 33.010 33.395 1.00 26.23 H new ATOM 0 HA SER B 723 -5.116 31.610 35.318 1.00 27.20 H new ATOM 0 HB2 SER B 723 -7.925 32.121 35.332 1.00 35.89 H new ATOM 0 HB3 SER B 723 -7.222 31.175 36.353 1.00 35.89 H new ATOM 0 HG SER B 723 -7.629 33.428 36.931 1.00 38.29 H new ATOM 1726 N PHE B 724 -5.991 29.304 34.445 1.00 25.45 N ATOM 1727 CA PHE B 724 -6.135 28.073 33.680 1.00 23.12 C ATOM 1728 C PHE B 724 -6.501 26.919 34.474 1.00 23.38 C ATOM 1729 O PHE B 724 -6.019 26.815 35.591 1.00 26.04 O ATOM 1730 CB PHE B 724 -4.737 27.728 33.031 1.00 23.86 C ATOM 1731 CG PHE B 724 -4.177 28.801 32.144 1.00 21.00 C ATOM 1732 CD1 PHE B 724 -3.354 29.834 32.648 1.00 22.29 C ATOM 1733 CD2 PHE B 724 -4.386 28.722 30.740 1.00 22.78 C ATOM 1734 CE1 PHE B 724 -2.816 30.807 31.768 1.00 21.35 C ATOM 1735 CE2 PHE B 724 -3.890 29.675 29.877 1.00 20.39 C ATOM 1736 CZ PHE B 724 -3.098 30.716 30.393 1.00 21.09 C ATOM 0 H PHE B 724 -5.733 29.184 35.256 1.00 25.45 H new ATOM 0 HA PHE B 724 -6.843 28.238 33.038 1.00 23.12 H new ATOM 0 HB2 PHE B 724 -4.101 27.547 33.740 1.00 23.86 H new ATOM 0 HB3 PHE B 724 -4.826 26.912 32.514 1.00 23.86 H new ATOM 0 HD1 PHE B 724 -3.165 29.875 33.558 1.00 22.29 H new ATOM 0 HD2 PHE B 724 -4.871 28.008 30.394 1.00 22.78 H new ATOM 0 HE1 PHE B 724 -2.284 31.496 32.095 1.00 21.35 H new ATOM 0 HE2 PHE B 724 -4.076 29.630 28.967 1.00 20.39 H new ATOM 0 HZ PHE B 724 -2.754 31.357 29.814 1.00 21.09 H new ATOM 1737 N HIS B 725 -7.292 25.985 33.914 1.00 22.48 N ATOM 1738 CA HIS B 725 -7.351 24.646 34.385 1.00 22.46 C ATOM 1739 C HIS B 725 -6.033 23.915 34.197 1.00 26.48 C ATOM 1740 O HIS B 725 -5.291 24.160 33.196 1.00 23.98 O ATOM 1741 CB HIS B 725 -8.475 23.813 33.723 1.00 24.46 C ATOM 1742 CG HIS B 725 -9.825 24.304 34.065 1.00 29.63 C ATOM 1743 ND1 HIS B 725 -10.679 24.814 33.128 1.00 32.51 N ATOM 1744 CD2 HIS B 725 -10.384 24.580 35.269 1.00 31.29 C ATOM 1745 CE1 HIS B 725 -11.767 25.270 33.715 1.00 32.88 C ATOM 1746 NE2 HIS B 725 -11.616 25.131 35.020 1.00 34.06 N ATOM 0 H HIS B 725 -7.806 26.141 33.242 1.00 22.48 H new ATOM 0 HA HIS B 725 -7.547 24.728 35.331 1.00 22.46 H new ATOM 0 HB2 HIS B 725 -8.362 23.832 32.760 1.00 24.46 H new ATOM 0 HB3 HIS B 725 -8.392 22.887 34.000 1.00 24.46 H new ATOM 0 HD2 HIS B 725 -10.005 24.425 36.104 1.00 31.29 H new ATOM 0 HE1 HIS B 725 -12.511 25.627 33.286 1.00 32.88 H new ATOM 0 HE2 HIS B 725 -12.195 25.350 35.616 1.00 34.06 H new ATOM 1747 N GLU B 726 -5.814 22.932 35.068 1.00 27.40 N ATOM 1748 CA GLU B 726 -4.570 22.166 35.004 1.00 31.37 C ATOM 1749 C GLU B 726 -4.243 21.601 33.607 1.00 26.11 C ATOM 1750 O GLU B 726 -3.129 21.679 33.172 1.00 26.82 O ATOM 1751 CB GLU B 726 -4.616 21.011 35.989 1.00 35.07 C ATOM 1752 CG GLU B 726 -3.310 20.264 36.134 1.00 35.10 C ATOM 1753 CD GLU B 726 -3.313 19.276 37.326 1.00 44.04 C ATOM 1754 OE1 GLU B 726 -4.336 19.139 38.043 1.00 45.06 O ATOM 1755 OE2 GLU B 726 -2.255 18.649 37.572 1.00 48.56 O ATOM 0 H GLU B 726 -6.359 22.696 35.690 1.00 27.40 H new ATOM 0 HA GLU B 726 -3.869 22.798 35.228 1.00 31.37 H new ATOM 0 HB2 GLU B 726 -4.880 21.351 36.858 1.00 35.07 H new ATOM 0 HB3 GLU B 726 -5.304 20.387 35.708 1.00 35.07 H new ATOM 0 HG2 GLU B 726 -3.129 19.776 35.315 1.00 35.10 H new ATOM 0 HG3 GLU B 726 -2.588 20.902 36.250 1.00 35.10 H new ATOM 1756 N HIS B 727 -5.198 20.965 32.994 1.00 25.45 N ATOM 1757 CA HIS B 727 -5.038 20.333 31.733 1.00 29.86 C ATOM 1758 C HIS B 727 -5.624 21.099 30.544 1.00 27.22 C ATOM 1759 O HIS B 727 -5.608 20.573 29.426 1.00 27.64 O ATOM 1760 CB HIS B 727 -5.599 18.897 31.761 1.00 32.11 C ATOM 1761 CG HIS B 727 -5.063 18.066 32.882 1.00 41.28 C ATOM 1762 ND1 HIS B 727 -3.749 17.663 32.946 1.00 41.51 N ATOM 1763 CD2 HIS B 727 -5.656 17.584 34.001 1.00 44.45 C ATOM 1764 CE1 HIS B 727 -3.553 16.967 34.053 1.00 44.47 C ATOM 1765 NE2 HIS B 727 -4.698 16.899 34.708 1.00 45.33 N ATOM 0 H HIS B 727 -5.991 20.888 33.318 1.00 25.45 H new ATOM 0 HA HIS B 727 -4.079 20.317 31.588 1.00 29.86 H new ATOM 0 HB2 HIS B 727 -6.566 18.937 31.832 1.00 32.11 H new ATOM 0 HB3 HIS B 727 -5.394 18.461 30.919 1.00 32.11 H new ATOM 0 HD2 HIS B 727 -6.546 17.696 34.245 1.00 44.45 H new ATOM 0 HE1 HIS B 727 -2.747 16.590 34.324 1.00 44.47 H new ATOM 0 HE2 HIS B 727 -4.823 16.492 35.455 1.00 45.33 H new ATOM 1766 N CYS B 728 -6.062 22.330 30.756 1.00 22.81 N ATOM 1767 CA CYS B 728 -6.320 23.255 29.698 1.00 23.15 C ATOM 1768 C CYS B 728 -5.046 23.955 29.270 1.00 22.61 C ATOM 1769 O CYS B 728 -4.841 24.180 28.070 1.00 19.28 O ATOM 1770 CB CYS B 728 -7.441 24.285 30.021 1.00 23.55 C ATOM 1771 SG CYS B 728 -9.159 23.631 29.995 1.00 28.04 S ATOM 0 H CYS B 728 -6.217 22.647 31.540 1.00 22.81 H new ATOM 0 HA CYS B 728 -6.655 22.725 28.958 1.00 23.15 H new ATOM 0 HB2 CYS B 728 -7.269 24.660 30.899 1.00 23.55 H new ATOM 0 HB3 CYS B 728 -7.381 25.014 29.384 1.00 23.55 H new ATOM 1772 N HIS B 729 -4.163 24.246 30.229 1.00 19.71 N ATOM 1773 CA HIS B 729 -2.908 24.874 29.879 1.00 21.73 C ATOM 1774 C HIS B 729 -2.111 23.755 29.153 1.00 22.19 C ATOM 1775 O HIS B 729 -2.313 22.590 29.455 1.00 20.75 O ATOM 1776 CB HIS B 729 -2.159 25.289 31.148 1.00 22.07 C ATOM 1777 CG HIS B 729 -0.983 26.162 30.886 1.00 23.52 C ATOM 1778 ND1 HIS B 729 0.292 25.665 30.747 1.00 26.56 N ATOM 1779 CD2 HIS B 729 -0.894 27.485 30.666 1.00 27.01 C ATOM 1780 CE1 HIS B 729 1.131 26.647 30.503 1.00 26.37 C ATOM 1781 NE2 HIS B 729 0.437 27.763 30.456 1.00 27.58 N ATOM 0 H HIS B 729 -4.275 24.089 31.067 1.00 19.71 H new ATOM 0 HA HIS B 729 -3.029 25.669 29.336 1.00 21.73 H new ATOM 0 HB2 HIS B 729 -2.772 25.753 31.739 1.00 22.07 H new ATOM 0 HB3 HIS B 729 -1.863 24.492 31.615 1.00 22.07 H new ATOM 0 HD1 HIS B 729 0.508 24.835 30.810 1.00 26.56 H new ATOM 0 HD2 HIS B 729 -1.596 28.095 30.657 1.00 27.01 H new ATOM 0 HE1 HIS B 729 2.050 26.567 30.385 1.00 26.37 H new ATOM 1782 N ILE B 730 -1.190 24.114 28.265 1.00 22.33 N ATOM 1783 CA ILE B 730 -0.306 23.173 27.595 1.00 23.49 C ATOM 1784 C ILE B 730 1.108 23.809 27.713 1.00 24.94 C ATOM 1785 O ILE B 730 1.284 24.995 27.371 1.00 25.56 O ATOM 1786 CB ILE B 730 -0.639 22.971 26.101 1.00 22.73 C ATOM 1787 CG1 ILE B 730 -2.089 22.722 25.896 1.00 24.04 C ATOM 1788 CG2 ILE B 730 0.149 21.768 25.551 1.00 27.48 C ATOM 1789 CD1 ILE B 730 -2.535 22.362 24.500 1.00 23.59 C ATOM 0 H ILE B 730 -1.060 24.931 28.031 1.00 22.33 H new ATOM 0 HA ILE B 730 -0.387 22.297 28.003 1.00 23.49 H new ATOM 0 HB ILE B 730 -0.392 23.783 25.632 1.00 22.73 H new ATOM 0 HG12 ILE B 730 -2.358 22.006 26.492 1.00 24.04 H new ATOM 0 HG13 ILE B 730 -2.573 23.517 26.171 1.00 24.04 H new ATOM 0 HG21 ILE B 730 -0.063 21.644 24.613 1.00 27.48 H new ATOM 0 HG22 ILE B 730 1.100 21.932 25.649 1.00 27.48 H new ATOM 0 HG23 ILE B 730 -0.093 20.969 26.045 1.00 27.48 H new ATOM 0 HD11 ILE B 730 -3.495 22.224 24.492 1.00 23.59 H new ATOM 0 HD12 ILE B 730 -2.307 23.082 23.891 1.00 23.59 H new ATOM 0 HD13 ILE B 730 -2.090 21.548 24.218 1.00 23.59 H new ATOM 1790 N PRO B 731 2.088 23.081 28.240 1.00 25.26 N ATOM 1791 CA PRO B 731 1.927 21.784 28.926 1.00 26.35 C ATOM 1792 C PRO B 731 1.104 21.934 30.222 1.00 26.49 C ATOM 1793 O PRO B 731 0.913 23.065 30.698 1.00 27.42 O ATOM 1794 CB PRO B 731 3.358 21.397 29.289 1.00 27.77 C ATOM 1795 CG PRO B 731 4.232 22.582 28.988 1.00 30.44 C ATOM 1796 CD PRO B 731 3.426 23.682 28.382 1.00 28.82 C ATOM 0 HA PRO B 731 1.465 21.134 28.374 1.00 26.35 H new ATOM 0 HB2 PRO B 731 3.420 21.156 30.227 1.00 27.77 H new ATOM 0 HB3 PRO B 731 3.643 20.623 28.778 1.00 27.77 H new ATOM 0 HG2 PRO B 731 4.655 22.894 29.803 1.00 30.44 H new ATOM 0 HG3 PRO B 731 4.942 22.322 28.381 1.00 30.44 H new ATOM 0 HD2 PRO B 731 3.407 24.468 28.951 1.00 28.82 H new ATOM 0 HD3 PRO B 731 3.786 23.960 27.526 1.00 28.82 H new ATOM 1797 N SER B 732 0.598 20.846 30.755 1.00 25.46 N ATOM 1798 CA SER B 732 -0.151 20.905 32.038 1.00 28.41 C ATOM 1799 C SER B 732 0.512 21.730 33.127 1.00 31.35 C ATOM 1800 O SER B 732 1.744 21.870 33.206 1.00 30.75 O ATOM 1801 CB SER B 732 -0.365 19.546 32.563 1.00 28.99 C ATOM 1802 OG SER B 732 -1.160 18.855 31.607 1.00 35.12 O ATOM 0 H SER B 732 0.664 20.061 30.411 1.00 25.46 H new ATOM 0 HA SER B 732 -0.986 21.346 31.817 1.00 28.41 H new ATOM 0 HB2 SER B 732 0.482 19.092 32.698 1.00 28.99 H new ATOM 0 HB3 SER B 732 -0.811 19.576 33.424 1.00 28.99 H new ATOM 0 HG SER B 732 -1.850 18.556 31.980 1.00 35.12 H new ATOM 1803 N VAL B 733 -0.309 22.341 33.954 1.00 30.54 N ATOM 1804 CA VAL B 733 0.232 23.300 34.945 1.00 32.13 C ATOM 1805 C VAL B 733 1.101 22.433 35.863 1.00 32.46 C ATOM 1806 O VAL B 733 0.691 21.300 36.135 1.00 33.69 O ATOM 1807 CB VAL B 733 -0.886 23.960 35.762 1.00 27.01 C ATOM 1808 CG1 VAL B 733 -0.322 24.775 36.923 1.00 27.52 C ATOM 1809 CG2 VAL B 733 -1.782 24.839 34.863 1.00 24.47 C ATOM 0 H VAL B 733 -1.162 22.232 33.974 1.00 30.54 H new ATOM 0 HA VAL B 733 0.719 24.022 34.518 1.00 32.13 H new ATOM 0 HB VAL B 733 -1.432 23.251 36.136 1.00 27.01 H new ATOM 0 HG11 VAL B 733 -1.051 25.179 37.419 1.00 27.52 H new ATOM 0 HG12 VAL B 733 0.185 24.193 37.510 1.00 27.52 H new ATOM 0 HG13 VAL B 733 0.258 25.471 36.578 1.00 27.52 H new ATOM 0 HG21 VAL B 733 -2.480 25.245 35.400 1.00 24.47 H new ATOM 0 HG22 VAL B 733 -1.245 25.534 34.452 1.00 24.47 H new ATOM 0 HG23 VAL B 733 -2.184 24.290 34.172 1.00 24.47 H new ATOM 1810 N GLU B 734 2.288 22.922 36.252 1.00 37.65 N ATOM 1811 CA GLU B 734 3.122 22.286 37.337 1.00 51.12 C ATOM 1812 C GLU B 734 2.575 22.845 38.656 1.00 50.30 C ATOM 1813 O GLU B 734 2.797 24.023 39.015 1.00 52.55 O ATOM 1814 CB GLU B 734 4.613 22.609 37.253 1.00 57.01 C ATOM 1815 CG GLU B 734 5.265 22.256 35.936 1.00 68.67 C ATOM 1816 CD GLU B 734 5.057 23.292 34.859 1.00 80.34 C ATOM 1817 OE1 GLU B 734 4.762 24.460 35.207 1.00 90.57 O ATOM 1818 OE2 GLU B 734 5.182 22.933 33.658 1.00101.33 O ATOM 0 H GLU B 734 2.644 23.625 35.908 1.00 37.65 H new ATOM 0 HA GLU B 734 3.058 21.322 37.254 1.00 51.12 H new ATOM 0 HB2 GLU B 734 4.735 23.557 37.416 1.00 57.01 H new ATOM 0 HB3 GLU B 734 5.074 22.137 37.964 1.00 57.01 H new ATOM 0 HG2 GLU B 734 6.217 22.135 36.078 1.00 68.67 H new ATOM 0 HG3 GLU B 734 4.914 21.406 35.628 1.00 68.67 H new ATOM 1819 N ALA B 735 1.784 22.010 39.317 1.00 57.33 N ATOM 1820 CA ALA B 735 1.049 22.372 40.532 1.00 65.86 C ATOM 1821 C ALA B 735 1.995 22.773 41.705 1.00 65.47 C ATOM 1822 O ALA B 735 1.696 23.695 42.482 1.00 68.04 O ATOM 1823 CB ALA B 735 0.121 21.205 40.926 1.00 62.26 C ATOM 0 H ALA B 735 1.654 21.197 39.069 1.00 57.33 H new ATOM 0 HA ALA B 735 0.515 23.159 40.344 1.00 65.86 H new ATOM 0 HB1 ALA B 735 -0.369 21.438 41.730 1.00 62.26 H new ATOM 0 HB2 ALA B 735 -0.505 21.032 40.205 1.00 62.26 H new ATOM 0 HB3 ALA B 735 0.652 20.410 41.091 1.00 62.26 H new ATOM 1824 N ASN B 736 3.111 22.053 41.799 1.00 61.22 N ATOM 1825 CA ASN B 736 4.211 22.320 42.740 1.00 77.18 C ATOM 1826 C ASN B 736 4.890 23.713 42.659 1.00 80.92 C ATOM 1827 O ASN B 736 5.466 24.160 43.660 1.00 84.99 O ATOM 1828 CB ASN B 736 5.312 21.268 42.504 1.00 82.59 C ATOM 1829 CG ASN B 736 5.900 21.350 41.078 1.00 87.87 C ATOM 1830 OD1 ASN B 736 5.189 21.159 40.080 1.00 83.55 O ATOM 1831 ND2 ASN B 736 7.184 21.679 40.981 1.00 93.67 N ATOM 0 H ASN B 736 3.258 21.369 41.300 1.00 61.22 H new ATOM 0 HA ASN B 736 3.792 22.285 43.614 1.00 77.18 H new ATOM 0 HB2 ASN B 736 6.022 21.394 43.153 1.00 82.59 H new ATOM 0 HB3 ASN B 736 4.947 20.381 42.651 1.00 82.59 H new ATOM 0 HD21 ASN B 736 7.548 21.766 40.207 1.00 93.67 H new ATOM 0 HD22 ASN B 736 7.651 21.805 41.692 1.00 93.67 H new ATOM 1832 N LYS B 737 4.861 24.372 41.485 1.00 85.05 N ATOM 1833 CA LYS B 737 5.676 25.588 41.234 1.00 80.71 C ATOM 1834 C LYS B 737 5.055 26.872 41.750 1.00 80.99 C ATOM 1835 O LYS B 737 3.836 27.051 41.693 1.00 71.79 O ATOM 1836 CB LYS B 737 6.012 25.763 39.748 1.00 80.92 C ATOM 1837 CG LYS B 737 7.307 25.075 39.341 1.00 89.10 C ATOM 1838 CD LYS B 737 7.923 25.649 38.076 1.00 90.55 C ATOM 1839 CE LYS B 737 8.200 27.135 38.213 1.00 94.33 C ATOM 1840 NZ LYS B 737 9.419 27.546 37.476 1.00 96.84 N ATOM 0 H LYS B 737 4.375 24.132 40.817 1.00 85.05 H new ATOM 0 HA LYS B 737 6.489 25.432 41.740 1.00 80.71 H new ATOM 0 HB2 LYS B 737 5.283 25.410 39.214 1.00 80.92 H new ATOM 0 HB3 LYS B 737 6.078 26.710 39.547 1.00 80.92 H new ATOM 0 HG2 LYS B 737 7.947 25.149 40.067 1.00 89.10 H new ATOM 0 HG3 LYS B 737 7.136 24.129 39.209 1.00 89.10 H new ATOM 0 HD2 LYS B 737 8.750 25.182 37.877 1.00 90.55 H new ATOM 0 HD3 LYS B 737 7.325 25.498 37.327 1.00 90.55 H new ATOM 0 HE2 LYS B 737 7.439 27.636 37.881 1.00 94.33 H new ATOM 0 HE3 LYS B 737 8.300 27.359 39.151 1.00 94.33 H new ATOM 0 HZ1 LYS B 737 9.548 28.420 37.580 1.00 96.84 H new ATOM 0 HZ2 LYS B 737 10.122 27.103 37.794 1.00 96.84 H new ATOM 0 HZ3 LYS B 737 9.319 27.362 36.611 1.00 96.84 H new ATOM 1841 N ASN B 738 5.914 27.770 42.235 1.00 79.89 N ATOM 1842 CA ASN B 738 5.477 29.032 42.815 1.00 81.84 C ATOM 1843 C ASN B 738 6.699 29.942 43.006 1.00 75.83 C ATOM 1844 O ASN B 738 7.463 29.705 43.925 1.00 83.34 O ATOM 1845 CB ASN B 738 4.729 28.800 44.149 1.00 88.89 C ATOM 1846 CG ASN B 738 3.722 29.901 44.452 1.00 95.55 C ATOM 1847 OD1 ASN B 738 4.050 31.086 44.395 1.00113.97 O ATOM 1848 ND2 ASN B 738 2.491 29.517 44.741 1.00 93.70 N ATOM 0 H ASN B 738 6.767 27.661 42.235 1.00 79.89 H new ATOM 0 HA ASN B 738 4.851 29.465 42.214 1.00 81.84 H new ATOM 0 HB2 ASN B 738 4.270 27.946 44.115 1.00 88.89 H new ATOM 0 HB3 ASN B 738 5.373 28.747 44.872 1.00 88.89 H new ATOM 0 HD21 ASN B 738 1.883 30.105 44.898 1.00 93.70 H new ATOM 0 HD22 ASN B 738 2.298 28.680 44.772 1.00 93.70 H new ATOM 1849 N PRO B 739 6.902 30.973 42.179 1.00 60.98 N ATOM 1850 CA PRO B 739 5.937 31.437 41.220 1.00 58.95 C ATOM 1851 C PRO B 739 5.877 30.549 39.963 1.00 51.92 C ATOM 1852 O PRO B 739 6.845 29.849 39.639 1.00 51.69 O ATOM 1853 CB PRO B 739 6.449 32.846 40.885 1.00 56.65 C ATOM 1854 CG PRO B 739 7.909 32.708 40.941 1.00 57.13 C ATOM 1855 CD PRO B 739 8.132 31.777 42.108 1.00 60.14 C ATOM 0 HA PRO B 739 5.030 31.420 41.565 1.00 58.95 H new ATOM 0 HB2 PRO B 739 6.152 33.134 40.008 1.00 56.65 H new ATOM 0 HB3 PRO B 739 6.128 33.503 41.523 1.00 56.65 H new ATOM 0 HG2 PRO B 739 8.265 32.339 40.117 1.00 57.13 H new ATOM 0 HG3 PRO B 739 8.343 33.564 41.079 1.00 57.13 H new ATOM 0 HD2 PRO B 739 8.912 31.217 41.969 1.00 60.14 H new ATOM 0 HD3 PRO B 739 8.279 32.270 42.930 1.00 60.14 H new ATOM 1856 N TRP B 740 4.702 30.552 39.332 1.00 43.25 N ATOM 1857 CA TRP B 740 4.442 29.873 38.064 1.00 37.37 C ATOM 1858 C TRP B 740 4.014 30.918 37.035 1.00 35.52 C ATOM 1859 O TRP B 740 3.175 31.791 37.321 1.00 36.84 O ATOM 1860 CB TRP B 740 3.358 28.837 38.268 1.00 36.10 C ATOM 1861 CG TRP B 740 2.945 28.124 36.997 1.00 31.02 C ATOM 1862 CD1 TRP B 740 3.571 27.057 36.427 1.00 33.35 C ATOM 1863 CD2 TRP B 740 1.828 28.440 36.173 1.00 27.53 C ATOM 1864 NE1 TRP B 740 2.927 26.698 35.285 1.00 33.03 N ATOM 1865 CE2 TRP B 740 1.839 27.523 35.097 1.00 33.79 C ATOM 1866 CE3 TRP B 740 0.810 29.402 36.237 1.00 31.92 C ATOM 1867 CZ2 TRP B 740 0.845 27.534 34.055 1.00 26.79 C ATOM 1868 CZ3 TRP B 740 -0.207 29.390 35.264 1.00 28.64 C ATOM 1869 CH2 TRP B 740 -0.159 28.443 34.162 1.00 29.52 C ATOM 0 H TRP B 740 4.013 30.963 39.641 1.00 43.25 H new ATOM 0 HA TRP B 740 5.239 29.422 37.744 1.00 37.37 H new ATOM 0 HB2 TRP B 740 3.667 28.180 38.911 1.00 36.10 H new ATOM 0 HB3 TRP B 740 2.580 29.268 38.655 1.00 36.10 H new ATOM 0 HD1 TRP B 740 4.327 26.636 36.768 1.00 33.35 H new ATOM 0 HE1 TRP B 740 3.162 26.057 34.762 1.00 33.03 H new ATOM 0 HE3 TRP B 740 0.807 30.040 36.914 1.00 31.92 H new ATOM 0 HZ2 TRP B 740 0.889 26.943 33.338 1.00 26.79 H new ATOM 0 HZ3 TRP B 740 -0.914 29.991 35.326 1.00 28.64 H new ATOM 0 HH2 TRP B 740 -0.829 28.460 33.517 1.00 29.52 H new ATOM 1870 N SER B 741 4.624 30.858 35.855 1.00 32.77 N ATOM 1871 CA SER B 741 4.286 31.700 34.729 1.00 32.42 C ATOM 1872 C SER B 741 3.721 30.791 33.638 1.00 33.25 C ATOM 1873 O SER B 741 4.291 29.730 33.360 1.00 29.73 O ATOM 1874 CB SER B 741 5.511 32.375 34.148 1.00 33.50 C ATOM 1875 OG SER B 741 5.875 33.531 34.851 1.00 38.82 O ATOM 0 H SER B 741 5.264 30.308 35.689 1.00 32.77 H new ATOM 0 HA SER B 741 3.661 32.380 35.025 1.00 32.42 H new ATOM 0 HB2 SER B 741 6.253 31.750 34.153 1.00 33.50 H new ATOM 0 HB3 SER B 741 5.340 32.605 33.221 1.00 33.50 H new ATOM 0 HG SER B 741 5.333 34.148 34.675 1.00 38.82 H new ATOM 1876 N CYS B 742 2.654 31.268 32.978 1.00 28.17 N ATOM 1877 CA CYS B 742 1.988 30.564 31.938 1.00 25.14 C ATOM 1878 C CYS B 742 2.743 30.654 30.609 1.00 24.01 C ATOM 1879 O CYS B 742 3.731 31.389 30.460 1.00 24.96 O ATOM 1880 CB CYS B 742 0.576 31.189 31.745 1.00 25.97 C ATOM 1881 SG CYS B 742 0.435 32.747 30.838 1.00 26.89 S ATOM 0 H CYS B 742 2.306 32.036 33.147 1.00 28.17 H new ATOM 0 HA CYS B 742 1.935 29.630 32.193 1.00 25.14 H new ATOM 0 HB2 CYS B 742 0.023 30.533 31.292 1.00 25.97 H new ATOM 0 HB3 CYS B 742 0.191 31.325 32.625 1.00 25.97 H new ATOM 1882 N ILE B 743 2.131 30.051 29.590 1.00 25.94 N ATOM 1883 CA ILE B 743 2.766 29.867 28.315 1.00 23.99 C ATOM 1884 C ILE B 743 2.770 31.166 27.558 1.00 26.59 C ATOM 1885 O ILE B 743 3.745 31.452 26.840 1.00 22.27 O ATOM 1886 CB ILE B 743 2.221 28.749 27.487 1.00 24.59 C ATOM 1887 CG1 ILE B 743 3.090 28.544 26.227 1.00 24.36 C ATOM 1888 CG2 ILE B 743 0.759 28.876 27.104 1.00 22.57 C ATOM 1889 CD1 ILE B 743 3.029 27.146 25.707 1.00 27.04 C ATOM 0 H ILE B 743 1.330 29.740 29.632 1.00 25.94 H new ATOM 0 HA ILE B 743 3.676 29.591 28.507 1.00 23.99 H new ATOM 0 HB ILE B 743 2.262 27.968 28.061 1.00 24.59 H new ATOM 0 HG12 ILE B 743 2.797 29.156 25.534 1.00 24.36 H new ATOM 0 HG13 ILE B 743 4.011 28.768 26.434 1.00 24.36 H new ATOM 0 HG21 ILE B 743 0.496 28.109 26.571 1.00 22.57 H new ATOM 0 HG22 ILE B 743 0.216 28.912 27.907 1.00 22.57 H new ATOM 0 HG23 ILE B 743 0.629 29.687 26.589 1.00 22.57 H new ATOM 0 HD11 ILE B 743 3.589 27.069 24.919 1.00 27.04 H new ATOM 0 HD12 ILE B 743 3.345 26.533 26.389 1.00 27.04 H new ATOM 0 HD13 ILE B 743 2.113 26.926 25.475 1.00 27.04 H new ATOM 1890 N PHE B 744 1.707 31.977 27.702 1.00 25.87 N ATOM 1891 CA PHE B 744 1.740 33.309 27.050 1.00 23.27 C ATOM 1892 C PHE B 744 2.953 34.150 27.538 1.00 24.89 C ATOM 1893 O PHE B 744 3.646 34.824 26.766 1.00 25.11 O ATOM 1894 CB PHE B 744 0.426 34.101 27.367 1.00 25.94 C ATOM 1895 CG PHE B 744 -0.832 33.539 26.759 1.00 23.87 C ATOM 1896 CD1 PHE B 744 -1.467 32.436 27.280 1.00 24.18 C ATOM 1897 CD2 PHE B 744 -1.361 34.100 25.631 1.00 23.51 C ATOM 1898 CE1 PHE B 744 -2.603 31.912 26.669 1.00 23.56 C ATOM 1899 CE2 PHE B 744 -2.501 33.642 25.067 1.00 23.46 C ATOM 1900 CZ PHE B 744 -3.132 32.541 25.577 1.00 22.96 C ATOM 0 H PHE B 744 0.994 31.793 28.146 1.00 25.87 H new ATOM 0 HA PHE B 744 1.821 33.161 26.095 1.00 23.27 H new ATOM 0 HB2 PHE B 744 0.313 34.137 28.330 1.00 25.94 H new ATOM 0 HB3 PHE B 744 0.535 35.014 27.059 1.00 25.94 H new ATOM 0 HD1 PHE B 744 -1.133 32.035 28.050 1.00 24.18 H new ATOM 0 HD2 PHE B 744 -0.923 34.820 25.239 1.00 23.51 H new ATOM 0 HE1 PHE B 744 -2.999 31.139 27.002 1.00 23.56 H new ATOM 0 HE2 PHE B 744 -2.858 34.078 24.328 1.00 23.46 H new ATOM 0 HZ PHE B 744 -3.913 32.224 25.185 1.00 22.96 H new ATOM 1901 N CYS B 745 3.156 34.181 28.838 1.00 25.03 N ATOM 1902 CA CYS B 745 4.282 34.892 29.448 1.00 26.59 C ATOM 1903 C CYS B 745 5.668 34.358 28.991 1.00 31.84 C ATOM 1904 O CYS B 745 6.589 35.122 28.667 1.00 28.14 O ATOM 1905 CB CYS B 745 4.176 34.797 30.948 1.00 30.05 C ATOM 1906 SG CYS B 745 2.841 35.871 31.557 1.00 32.32 S ATOM 0 H CYS B 745 2.644 33.788 29.406 1.00 25.03 H new ATOM 0 HA CYS B 745 4.227 35.815 29.153 1.00 26.59 H new ATOM 0 HB2 CYS B 745 4.005 33.879 31.209 1.00 30.05 H new ATOM 0 HB3 CYS B 745 5.018 35.055 31.355 1.00 30.05 H new ATOM 1907 N ARG B 746 5.801 33.042 28.994 1.00 26.70 N ATOM 1908 CA ARG B 746 7.027 32.369 28.559 1.00 26.82 C ATOM 1909 C ARG B 746 7.378 32.596 27.128 1.00 26.15 C ATOM 1910 O ARG B 746 8.547 32.735 26.812 1.00 29.36 O ATOM 1911 CB ARG B 746 6.906 30.864 28.817 1.00 28.07 C ATOM 1912 CG ARG B 746 7.059 30.573 30.300 1.00 29.42 C ATOM 1913 CD ARG B 746 6.687 29.131 30.650 1.00 31.36 C ATOM 1914 NE ARG B 746 7.673 28.201 30.126 1.00 32.86 N ATOM 1915 CZ ARG B 746 7.559 26.874 30.118 1.00 33.44 C ATOM 1916 NH1 ARG B 746 6.460 26.276 30.569 1.00 34.25 N ATOM 1917 NH2 ARG B 746 8.592 26.146 29.652 1.00 33.01 N ATOM 0 H ARG B 746 5.180 32.504 29.250 1.00 26.70 H new ATOM 0 HA ARG B 746 7.745 32.760 29.081 1.00 26.82 H new ATOM 0 HB2 ARG B 746 6.045 30.544 28.505 1.00 28.07 H new ATOM 0 HB3 ARG B 746 7.585 30.387 28.315 1.00 28.07 H new ATOM 0 HG2 ARG B 746 7.976 30.742 30.568 1.00 29.42 H new ATOM 0 HG3 ARG B 746 6.498 31.181 30.806 1.00 29.42 H new ATOM 0 HD2 ARG B 746 6.624 29.034 31.613 1.00 31.36 H new ATOM 0 HD3 ARG B 746 5.813 28.921 30.286 1.00 31.36 H new ATOM 0 HE ARG B 746 8.391 28.536 29.793 1.00 32.86 H new ATOM 0 HH11 ARG B 746 5.808 26.747 30.872 1.00 34.25 H new ATOM 0 HH12 ARG B 746 6.402 25.418 30.557 1.00 34.25 H new ATOM 0 HH21 ARG B 746 9.302 26.540 29.369 1.00 33.01 H new ATOM 0 HH22 ARG B 746 8.541 25.288 29.637 1.00 33.01 H new ATOM 1918 N ILE B 747 6.372 32.617 26.268 1.00 23.77 N ATOM 1919 CA ILE B 747 6.524 32.941 24.869 1.00 25.80 C ATOM 1920 C ILE B 747 6.945 34.412 24.701 1.00 29.56 C ATOM 1921 O ILE B 747 7.840 34.726 23.891 1.00 26.68 O ATOM 1922 CB ILE B 747 5.235 32.664 24.070 1.00 27.15 C ATOM 1923 CG1 ILE B 747 5.008 31.139 23.901 1.00 28.93 C ATOM 1924 CG2 ILE B 747 5.229 33.319 22.692 1.00 28.62 C ATOM 1925 CD1 ILE B 747 6.088 30.409 23.101 1.00 31.49 C ATOM 0 H ILE B 747 5.561 32.438 26.492 1.00 23.77 H new ATOM 0 HA ILE B 747 7.220 32.366 24.513 1.00 25.80 H new ATOM 0 HB ILE B 747 4.515 33.057 24.588 1.00 27.15 H new ATOM 0 HG12 ILE B 747 4.948 30.735 24.781 1.00 28.93 H new ATOM 0 HG13 ILE B 747 4.152 30.999 23.466 1.00 28.93 H new ATOM 0 HG21 ILE B 747 4.397 33.111 22.238 1.00 28.62 H new ATOM 0 HG22 ILE B 747 5.311 34.280 22.790 1.00 28.62 H new ATOM 0 HG23 ILE B 747 5.974 32.983 22.170 1.00 28.62 H new ATOM 0 HD11 ILE B 747 5.868 29.466 23.045 1.00 31.49 H new ATOM 0 HD12 ILE B 747 6.137 30.783 22.207 1.00 31.49 H new ATOM 0 HD13 ILE B 747 6.945 30.515 23.543 1.00 31.49 H new ATOM 1926 N LYS B 748 6.306 35.308 25.425 1.00 29.53 N ATOM 1927 CA LYS B 748 6.650 36.731 25.308 1.00 36.22 C ATOM 1928 C LYS B 748 8.124 37.008 25.734 1.00 33.23 C ATOM 1929 O LYS B 748 8.823 37.793 25.120 1.00 34.45 O ATOM 1930 CB LYS B 748 5.716 37.540 26.180 1.00 39.05 C ATOM 1931 CG LYS B 748 5.925 39.048 26.012 1.00 46.36 C ATOM 1932 CD LYS B 748 4.904 39.831 26.825 1.00 54.39 C ATOM 1933 CE LYS B 748 5.039 39.520 28.310 1.00 56.23 C ATOM 1934 NZ LYS B 748 4.121 40.362 29.123 1.00 69.90 N ATOM 0 H LYS B 748 5.678 35.129 25.985 1.00 29.53 H new ATOM 0 HA LYS B 748 6.556 36.988 24.377 1.00 36.22 H new ATOM 0 HB2 LYS B 748 4.798 37.316 25.961 1.00 39.05 H new ATOM 0 HB3 LYS B 748 5.853 37.298 27.109 1.00 39.05 H new ATOM 0 HG2 LYS B 748 6.822 39.288 26.294 1.00 46.36 H new ATOM 0 HG3 LYS B 748 5.850 39.286 25.075 1.00 46.36 H new ATOM 0 HD2 LYS B 748 5.027 40.782 26.677 1.00 54.39 H new ATOM 0 HD3 LYS B 748 4.008 39.611 26.525 1.00 54.39 H new ATOM 0 HE2 LYS B 748 4.845 38.582 28.465 1.00 56.23 H new ATOM 0 HE3 LYS B 748 5.955 39.670 28.592 1.00 56.23 H new ATOM 0 HZ1 LYS B 748 4.219 40.162 29.985 1.00 69.90 H new ATOM 0 HZ2 LYS B 748 4.314 41.221 28.995 1.00 69.90 H new ATOM 0 HZ3 LYS B 748 3.280 40.208 28.877 1.00 69.90 H new ATOM 1935 N THR B 749 8.551 36.376 26.813 1.00 32.32 N ATOM 1936 CA THR B 749 9.948 36.367 27.243 1.00 33.59 C ATOM 1937 C THR B 749 10.972 36.014 26.153 1.00 41.33 C ATOM 1938 O THR B 749 11.896 36.787 25.930 1.00 44.18 O ATOM 1939 CB THR B 749 10.155 35.496 28.471 1.00 35.35 C ATOM 1940 OG1 THR B 749 9.460 36.100 29.562 1.00 38.84 O ATOM 1941 CG2 THR B 749 11.638 35.472 28.854 1.00 39.43 C ATOM 0 H THR B 749 8.030 35.929 27.331 1.00 32.32 H new ATOM 0 HA THR B 749 10.126 37.293 27.470 1.00 33.59 H new ATOM 0 HB THR B 749 9.839 34.598 28.282 1.00 35.35 H new ATOM 0 HG1 THR B 749 8.636 35.954 29.485 1.00 38.84 H new ATOM 0 HG21 THR B 749 11.761 34.914 29.638 1.00 39.43 H new ATOM 0 HG22 THR B 749 12.157 35.113 28.117 1.00 39.43 H new ATOM 0 HG23 THR B 749 11.937 36.374 29.049 1.00 39.43 H new ATOM 1942 N ILE B 750 10.748 34.894 25.456 1.00 38.22 N ATOM 1943 CA ILE B 750 11.478 34.505 24.288 1.00 38.67 C ATOM 1944 C ILE B 750 11.436 35.531 23.150 1.00 41.61 C ATOM 1945 O ILE B 750 12.481 35.832 22.548 1.00 38.68 O ATOM 1946 CB ILE B 750 10.969 33.154 23.738 1.00 37.87 C ATOM 1947 CG1 ILE B 750 11.259 32.047 24.759 1.00 37.13 C ATOM 1948 CG2 ILE B 750 11.607 32.852 22.385 1.00 37.74 C ATOM 1949 CD1 ILE B 750 10.546 30.786 24.415 1.00 39.94 C ATOM 0 H ILE B 750 10.138 34.329 25.675 1.00 38.22 H new ATOM 0 HA ILE B 750 12.398 34.434 24.588 1.00 38.67 H new ATOM 0 HB ILE B 750 10.010 33.200 23.600 1.00 37.87 H new ATOM 0 HG12 ILE B 750 12.214 31.881 24.795 1.00 37.13 H new ATOM 0 HG13 ILE B 750 10.989 32.342 25.643 1.00 37.13 H new ATOM 0 HG21 ILE B 750 11.277 32.002 22.054 1.00 37.74 H new ATOM 0 HG22 ILE B 750 11.379 33.554 21.756 1.00 37.74 H new ATOM 0 HG23 ILE B 750 12.571 32.808 22.484 1.00 37.74 H new ATOM 0 HD11 ILE B 750 10.750 30.108 25.078 1.00 39.94 H new ATOM 0 HD12 ILE B 750 9.590 30.948 24.402 1.00 39.94 H new ATOM 0 HD13 ILE B 750 10.834 30.480 23.541 1.00 39.94 H new ATOM 1950 N GLN B 751 10.243 35.992 22.788 1.00 36.26 N ATOM 1951 CA GLN B 751 10.109 37.002 21.752 1.00 40.14 C ATOM 1952 C GLN B 751 10.895 38.299 22.075 1.00 38.51 C ATOM 1953 O GLN B 751 11.477 38.908 21.204 1.00 38.54 O ATOM 1954 CB GLN B 751 8.624 37.333 21.466 1.00 45.78 C ATOM 1955 CG GLN B 751 7.860 36.129 20.872 1.00 52.35 C ATOM 1956 CD GLN B 751 6.358 36.351 20.655 1.00 56.32 C ATOM 1957 OE1 GLN B 751 5.683 37.126 21.358 1.00 53.50 O ATOM 1958 NE2 GLN B 751 5.826 35.649 19.665 1.00 60.92 N ATOM 0 H GLN B 751 9.499 35.731 23.132 1.00 36.26 H new ATOM 0 HA GLN B 751 10.500 36.616 20.952 1.00 40.14 H new ATOM 0 HB2 GLN B 751 8.193 37.613 22.288 1.00 45.78 H new ATOM 0 HB3 GLN B 751 8.574 38.081 20.850 1.00 45.78 H new ATOM 0 HG2 GLN B 751 8.264 35.896 20.022 1.00 52.35 H new ATOM 0 HG3 GLN B 751 7.978 35.367 21.461 1.00 52.35 H new ATOM 0 HE21 GLN B 751 6.320 35.122 19.198 1.00 60.92 H new ATOM 0 HE22 GLN B 751 4.987 35.720 19.490 1.00 60.92 H new ATOM 1959 N GLU B 752 10.922 38.686 23.335 1.00 39.25 N ATOM 1960 CA GLU B 752 11.461 40.006 23.719 1.00 47.49 C ATOM 1961 C GLU B 752 12.974 40.009 23.908 1.00 52.62 C ATOM 1962 O GLU B 752 13.531 41.102 24.114 1.00 44.53 O ATOM 1963 CB GLU B 752 10.797 40.513 25.007 1.00 52.27 C ATOM 1964 CG GLU B 752 9.411 41.097 24.739 1.00 56.49 C ATOM 1965 CD GLU B 752 8.635 41.379 26.003 1.00 63.57 C ATOM 1966 OE1 GLU B 752 9.155 41.085 27.118 1.00 64.79 O ATOM 1967 OE2 GLU B 752 7.481 41.856 25.866 1.00 68.50 O ATOM 0 H GLU B 752 10.637 38.211 23.992 1.00 39.25 H new ATOM 0 HA GLU B 752 11.256 40.598 22.978 1.00 47.49 H new ATOM 0 HB2 GLU B 752 10.723 39.783 25.642 1.00 52.27 H new ATOM 0 HB3 GLU B 752 11.359 41.189 25.416 1.00 52.27 H new ATOM 0 HG2 GLU B 752 9.504 41.919 24.233 1.00 56.49 H new ATOM 0 HG3 GLU B 752 8.907 40.479 24.187 1.00 56.49 H new ATOM 1968 N ARG B 753 13.610 38.823 23.853 1.00 48.03 N ATOM 1969 CA ARG B 753 15.020 38.663 24.204 1.00 49.31 C ATOM 1970 C ARG B 753 15.933 39.535 23.291 1.00 55.25 C ATOM 1971 O ARG B 753 16.752 40.387 23.761 1.00 47.49 O ATOM 1972 CB ARG B 753 15.426 37.188 24.115 1.00 45.63 C ATOM 1973 CG ARG B 753 16.857 36.926 24.585 1.00 47.35 C ATOM 1974 CD ARG B 753 17.173 35.445 24.673 1.00 52.38 C ATOM 1975 NE ARG B 753 16.650 34.723 23.489 1.00 58.07 N ATOM 1976 CZ ARG B 753 15.845 33.638 23.489 1.00 52.10 C ATOM 1977 NH1 ARG B 753 15.437 32.993 24.629 1.00 45.66 N ATOM 1978 NH2 ARG B 753 15.494 33.155 22.311 1.00 45.88 N ATOM 0 H ARG B 753 13.227 38.092 23.609 1.00 48.03 H new ATOM 0 HA ARG B 753 15.137 38.966 25.118 1.00 49.31 H new ATOM 0 HB2 ARG B 753 14.814 36.658 24.649 1.00 45.63 H new ATOM 0 HB3 ARG B 753 15.334 36.888 23.197 1.00 45.63 H new ATOM 0 HG2 ARG B 753 17.479 37.351 23.974 1.00 47.35 H new ATOM 0 HG3 ARG B 753 16.989 37.335 25.455 1.00 47.35 H new ATOM 0 HD2 ARG B 753 18.133 35.318 24.736 1.00 52.38 H new ATOM 0 HD3 ARG B 753 16.784 35.075 25.481 1.00 52.38 H new ATOM 0 HE ARG B 753 16.884 35.027 22.719 1.00 58.07 H new ATOM 0 HH11 ARG B 753 15.695 33.276 25.399 1.00 45.66 H new ATOM 0 HH12 ARG B 753 14.923 32.305 24.574 1.00 45.66 H new ATOM 0 HH21 ARG B 753 15.777 33.530 21.591 1.00 45.88 H new ATOM 0 HH22 ARG B 753 14.983 32.465 22.264 1.00 45.88 H new ATOM 1979 N CYS B 754 15.784 39.305 21.986 1.00 54.12 N ATOM 1980 CA CYS B 754 16.522 40.052 20.963 1.00 55.04 C ATOM 1981 C CYS B 754 15.663 40.063 19.718 1.00 62.66 C ATOM 1982 O CYS B 754 15.741 39.126 18.906 1.00 61.52 O ATOM 1983 CB CYS B 754 17.920 39.489 20.651 1.00 52.11 C ATOM 1984 SG CYS B 754 18.867 40.692 19.650 1.00 51.84 S ATOM 0 H CYS B 754 15.251 38.710 21.667 1.00 54.12 H new ATOM 0 HA CYS B 754 16.690 40.946 21.301 1.00 55.04 H new ATOM 0 HB2 CYS B 754 18.393 39.300 21.477 1.00 52.11 H new ATOM 0 HB3 CYS B 754 17.840 38.650 20.172 1.00 52.11 H new ATOM 0 HG CYS B 754 19.956 40.247 19.413 1.00 51.84 H new ATOM 1985 N PRO B 755 14.810 41.098 19.595 1.00 74.84 N ATOM 1986 CA PRO B 755 13.880 41.053 18.478 1.00 85.95 C ATOM 1987 C PRO B 755 14.587 41.222 17.107 1.00 92.89 C ATOM 1988 O PRO B 755 14.954 42.329 16.739 1.00 78.47 O ATOM 1989 CB PRO B 755 12.865 42.187 18.806 1.00 85.79 C ATOM 1990 CG PRO B 755 13.038 42.456 20.272 1.00 84.67 C ATOM 1991 CD PRO B 755 14.500 42.214 20.520 1.00 81.02 C ATOM 0 HA PRO B 755 13.441 40.193 18.384 1.00 85.95 H new ATOM 0 HB2 PRO B 755 13.045 42.982 18.280 1.00 85.79 H new ATOM 0 HB3 PRO B 755 11.956 41.913 18.605 1.00 85.79 H new ATOM 0 HG2 PRO B 755 12.786 43.365 20.498 1.00 84.67 H new ATOM 0 HG3 PRO B 755 12.485 41.867 20.808 1.00 84.67 H new ATOM 0 HD2 PRO B 755 15.033 43.001 20.326 1.00 81.02 H new ATOM 0 HD3 PRO B 755 14.674 41.975 21.444 1.00 81.02 H new ATOM 1992 N GLU B 756 14.859 40.097 16.432 1.00104.76 N ATOM 1993 CA GLU B 756 14.804 40.036 14.973 1.00109.41 C ATOM 1994 C GLU B 756 13.300 39.853 14.760 1.00126.42 C ATOM 1995 O GLU B 756 12.771 38.783 15.070 1.00134.66 O ATOM 1996 CB GLU B 756 15.594 38.845 14.416 1.00 96.52 C ATOM 0 H GLU B 756 15.079 39.355 16.808 1.00104.76 H new ATOM 0 HA GLU B 756 15.191 40.805 14.526 1.00109.41 H new ATOM 1997 N SER B 757 12.623 40.911 14.283 1.00136.44 N ATOM 1998 CA SER B 757 11.142 41.067 14.363 1.00141.09 C ATOM 1999 C SER B 757 10.339 39.994 13.582 1.00144.92 C ATOM 2000 O SER B 757 10.872 38.919 13.307 1.00160.17 O ATOM 2001 CB SER B 757 10.761 42.483 13.897 1.00138.78 C ATOM 0 H SER B 757 13.012 41.573 13.896 1.00136.44 H new ATOM 0 HA SER B 757 10.896 40.933 15.292 1.00141.09 H new ATOM 2002 N GLN B 758 9.079 40.254 13.206 1.00134.42 N ATOM 2003 CA GLN B 758 8.368 39.359 12.266 1.00125.50 C ATOM 2004 C GLN B 758 8.938 39.477 10.825 1.00129.60 C ATOM 2005 O GLN B 758 8.187 39.359 9.848 1.00126.10 O ATOM 2006 CB GLN B 758 6.859 39.622 12.296 1.00114.52 C ATOM 0 H GLN B 758 8.622 40.930 13.476 1.00134.42 H new ATOM 0 HA GLN B 758 8.516 38.446 12.558 1.00125.50 H new ATOM 2007 N SER B 759 10.276 39.611 10.730 1.00128.42 N ATOM 2008 CA SER B 759 11.018 40.085 9.545 1.00120.61 C ATOM 2009 C SER B 759 10.906 39.111 8.371 1.00112.94 C ATOM 2010 O SER B 759 11.005 39.522 7.211 1.00121.82 O ATOM 2011 CB SER B 759 12.504 40.321 9.893 1.00111.78 C ATOM 0 H SER B 759 10.797 39.418 11.386 1.00128.42 H new ATOM 0 HA SER B 759 10.615 40.925 9.273 1.00120.61 H new ATOM 2012 N GLY B 760 10.715 37.828 8.681 1.00 86.46 N ATOM 2013 CA GLY B 760 10.290 36.854 7.697 1.00 81.21 C ATOM 2014 C GLY B 760 11.120 35.599 7.794 1.00 79.07 C ATOM 2015 O GLY B 760 12.347 35.670 7.758 1.00 88.24 O ATOM 0 H GLY B 760 10.830 37.505 9.470 1.00 86.46 H new ATOM 0 HA2 GLY B 760 9.354 36.639 7.832 1.00 81.21 H new ATOM 0 HA3 GLY B 760 10.369 37.231 6.807 1.00 81.21 H new ATOM 2016 N HIS B 761 10.444 34.458 7.949 1.00 62.46 N ATOM 2017 CA HIS B 761 11.006 33.158 7.613 1.00 49.23 C ATOM 2018 C HIS B 761 10.124 32.445 6.588 1.00 48.37 C ATOM 2019 O HIS B 761 8.948 32.780 6.404 1.00 43.47 O ATOM 2020 CB HIS B 761 11.102 32.339 8.851 1.00 46.04 C ATOM 2021 CG HIS B 761 11.826 33.019 9.964 1.00 51.80 C ATOM 2022 ND1 HIS B 761 11.184 33.812 10.883 1.00 54.57 N ATOM 2023 CD2 HIS B 761 13.127 32.968 10.354 1.00 52.09 C ATOM 2024 CE1 HIS B 761 12.055 34.223 11.792 1.00 52.34 C ATOM 2025 NE2 HIS B 761 13.236 33.719 11.496 1.00 45.62 N ATOM 0 H HIS B 761 9.641 34.422 8.255 1.00 62.46 H new ATOM 0 HA HIS B 761 11.888 33.280 7.228 1.00 49.23 H new ATOM 0 HB2 HIS B 761 10.207 32.111 9.149 1.00 46.04 H new ATOM 0 HB3 HIS B 761 11.553 31.505 8.644 1.00 46.04 H new ATOM 0 HD1 HIS B 761 10.347 34.011 10.870 1.00 54.57 H new ATOM 0 HD2 HIS B 761 13.814 32.510 9.927 1.00 52.09 H new ATOM 0 HE1 HIS B 761 11.865 34.774 12.517 1.00 52.34 H new ATOM 2026 N GLN B 762 10.696 31.476 5.899 1.00 41.80 N ATOM 2027 CA GLN B 762 9.947 30.701 4.927 1.00 45.50 C ATOM 2028 C GLN B 762 9.386 29.482 5.630 1.00 45.17 C ATOM 2029 O GLN B 762 10.040 28.921 6.484 1.00 48.18 O ATOM 2030 CB GLN B 762 10.842 30.229 3.790 1.00 54.16 C ATOM 2031 CG GLN B 762 11.798 31.285 3.252 1.00 67.57 C ATOM 2032 CD GLN B 762 11.106 32.605 2.950 1.00 79.17 C ATOM 2033 OE1 GLN B 762 10.209 32.669 2.094 1.00 90.77 O ATOM 2034 NE2 GLN B 762 11.513 33.669 3.656 1.00 88.04 N ATOM 0 H GLN B 762 11.522 31.249 5.979 1.00 41.80 H new ATOM 0 HA GLN B 762 9.244 31.257 4.557 1.00 45.50 H new ATOM 0 HB2 GLN B 762 11.359 29.468 4.097 1.00 54.16 H new ATOM 0 HB3 GLN B 762 10.282 29.916 3.062 1.00 54.16 H new ATOM 0 HG2 GLN B 762 12.505 31.435 3.899 1.00 67.57 H new ATOM 0 HG3 GLN B 762 12.219 30.953 2.444 1.00 67.57 H new ATOM 0 HE21 GLN B 762 12.138 33.584 4.241 1.00 88.04 H new ATOM 0 HE22 GLN B 762 11.149 34.437 3.524 1.00 88.04 H new ATOM 2035 N GLU B 763 8.212 29.032 5.223 1.00 44.74 N ATOM 2036 CA GLU B 763 7.574 27.938 5.908 1.00 41.80 C ATOM 2037 C GLU B 763 8.448 26.684 5.803 1.00 42.53 C ATOM 2038 O GLU B 763 8.585 25.983 6.802 1.00 39.69 O ATOM 2039 CB GLU B 763 6.125 27.688 5.409 1.00 40.66 C ATOM 2040 CG GLU B 763 5.491 26.395 6.007 1.00 41.72 C ATOM 2041 CD GLU B 763 4.153 26.021 5.421 1.00 40.32 C ATOM 2042 OE1 GLU B 763 3.272 26.857 5.583 1.00 45.20 O ATOM 2043 OE2 GLU B 763 3.948 24.938 4.803 1.00 40.70 O ATOM 0 H GLU B 763 7.773 29.348 4.554 1.00 44.74 H new ATOM 0 HA GLU B 763 7.487 28.176 6.844 1.00 41.80 H new ATOM 0 HB2 GLU B 763 5.572 28.451 5.641 1.00 40.66 H new ATOM 0 HB3 GLU B 763 6.128 27.623 4.441 1.00 40.66 H new ATOM 0 HG2 GLU B 763 6.106 25.657 5.875 1.00 41.72 H new ATOM 0 HG3 GLU B 763 5.390 26.512 6.965 1.00 41.72 H new ATOM 2044 N SER B 764 9.041 26.415 4.626 1.00 38.87 N ATOM 2045 CA ASER B 764 9.857 25.202 4.419 0.71 41.46 C ATOM 2046 CA BSER B 764 9.867 25.211 4.417 0.29 39.83 C ATOM 2047 C SER B 764 10.979 25.083 5.447 1.00 37.24 C ATOM 2048 O SER B 764 11.263 23.993 5.906 1.00 41.25 O ATOM 2049 CB ASER B 764 10.464 25.171 2.985 0.71 44.12 C ATOM 2050 CB BSER B 764 10.484 25.190 3.002 0.29 40.97 C ATOM 2051 OG ASER B 764 11.297 26.304 2.816 0.71 45.82 O ATOM 2052 OG BSER B 764 9.476 25.104 2.023 0.29 41.55 O ATOM 0 H ASER B 764 8.983 26.923 3.935 0.71 38.87 H new ATOM 0 H BSER B 764 8.976 26.921 3.934 0.29 38.87 H new ATOM 0 HA ASER B 764 9.259 24.446 4.531 0.71 39.83 H new ATOM 0 HA BSER B 764 9.267 24.456 4.520 0.29 39.83 H new ATOM 0 HB2ASER B 764 10.974 24.357 2.854 0.71 40.97 H new ATOM 0 HB2BSER B 764 11.011 25.992 2.861 0.29 40.97 H new ATOM 0 HB3ASER B 764 9.757 25.172 2.321 0.71 40.97 H new ATOM 0 HB3BSER B 764 11.088 24.436 2.918 0.29 40.97 H new ATOM 0 HG ASER B 764 11.630 26.295 2.045 0.71 41.55 H new ATOM 0 HG BSER B 764 9.827 25.095 1.260 0.29 41.55 H new ATOM 2053 N GLU B 765 11.567 26.223 5.818 1.00 34.68 N ATOM 2054 CA GLU B 765 12.644 26.307 6.785 1.00 39.62 C ATOM 2055 C GLU B 765 12.117 26.026 8.184 1.00 40.14 C ATOM 2056 O GLU B 765 12.730 25.263 8.949 1.00 30.86 O ATOM 2057 CB GLU B 765 13.312 27.708 6.754 1.00 38.14 C ATOM 2058 CG GLU B 765 14.481 27.943 7.715 1.00 46.16 C ATOM 2059 CD GLU B 765 14.146 28.584 9.104 1.00 55.89 C ATOM 2060 OE1 GLU B 765 13.306 29.534 9.226 1.00 47.22 O ATOM 2061 OE2 GLU B 765 14.778 28.148 10.123 1.00 53.70 O ATOM 0 H GLU B 765 11.337 26.988 5.500 1.00 34.68 H new ATOM 0 HA GLU B 765 13.309 25.641 6.550 1.00 39.62 H new ATOM 0 HB2 GLU B 765 13.626 27.872 5.851 1.00 38.14 H new ATOM 0 HB3 GLU B 765 12.630 28.371 6.942 1.00 38.14 H new ATOM 0 HG2 GLU B 765 14.916 27.091 7.874 1.00 46.16 H new ATOM 0 HG3 GLU B 765 15.127 28.512 7.269 1.00 46.16 H new ATOM 2062 N VAL B 766 10.991 26.666 8.517 1.00 32.14 N ATOM 2063 CA VAL B 766 10.431 26.493 9.825 1.00 28.50 C ATOM 2064 C VAL B 766 10.097 25.026 10.067 1.00 25.05 C ATOM 2065 O VAL B 766 10.429 24.521 11.121 1.00 24.72 O ATOM 2066 CB VAL B 766 9.203 27.424 10.066 1.00 31.90 C ATOM 2067 CG1 VAL B 766 8.462 27.021 11.373 1.00 31.59 C ATOM 2068 CG2 VAL B 766 9.676 28.859 10.139 1.00 26.53 C ATOM 0 H VAL B 766 10.554 27.194 7.998 1.00 32.14 H new ATOM 0 HA VAL B 766 11.099 26.759 10.476 1.00 28.50 H new ATOM 0 HB VAL B 766 8.578 27.331 9.330 1.00 31.90 H new ATOM 0 HG11 VAL B 766 7.702 27.608 11.509 1.00 31.59 H new ATOM 0 HG12 VAL B 766 8.153 26.104 11.300 1.00 31.59 H new ATOM 0 HG13 VAL B 766 9.068 27.099 12.126 1.00 31.59 H new ATOM 0 HG21 VAL B 766 8.916 29.443 10.289 1.00 26.53 H new ATOM 0 HG22 VAL B 766 10.306 28.955 10.870 1.00 26.53 H new ATOM 0 HG23 VAL B 766 10.109 29.100 9.305 1.00 26.53 H new ATOM 2069 N LEU B 767 9.511 24.363 9.096 1.00 23.29 N ATOM 2070 CA LEU B 767 9.110 23.007 9.251 1.00 29.17 C ATOM 2071 C LEU B 767 10.299 22.055 9.533 1.00 30.76 C ATOM 2072 O LEU B 767 10.134 21.021 10.168 1.00 28.71 O ATOM 2073 CB LEU B 767 8.346 22.502 8.046 1.00 29.53 C ATOM 2074 CG LEU B 767 6.985 23.156 7.729 1.00 31.26 C ATOM 2075 CD1 LEU B 767 6.401 22.535 6.490 1.00 31.22 C ATOM 2076 CD2 LEU B 767 6.111 23.060 8.958 1.00 31.25 C ATOM 0 H LEU B 767 9.337 24.698 8.323 1.00 23.29 H new ATOM 0 HA LEU B 767 8.526 23.002 10.026 1.00 29.17 H new ATOM 0 HB2 LEU B 767 8.915 22.607 7.267 1.00 29.53 H new ATOM 0 HB3 LEU B 767 8.199 21.551 8.164 1.00 29.53 H new ATOM 0 HG LEU B 767 7.074 24.100 7.525 1.00 31.26 H new ATOM 0 HD11 LEU B 767 5.546 22.948 6.293 1.00 31.22 H new ATOM 0 HD12 LEU B 767 7.005 22.672 5.744 1.00 31.22 H new ATOM 0 HD13 LEU B 767 6.275 21.584 6.633 1.00 31.22 H new ATOM 0 HD21 LEU B 767 5.250 23.467 8.775 1.00 31.25 H new ATOM 0 HD22 LEU B 767 5.984 22.127 9.193 1.00 31.25 H new ATOM 0 HD23 LEU B 767 6.538 23.523 9.696 1.00 31.25 H new ATOM 2077 N MET B 768 11.486 22.408 9.049 1.00 31.21 N ATOM 2078 CA MET B 768 12.678 21.532 9.224 1.00 33.75 C ATOM 2079 C MET B 768 13.386 21.761 10.582 1.00 31.64 C ATOM 2080 O MET B 768 14.321 21.020 10.920 1.00 30.99 O ATOM 2081 CB MET B 768 13.656 21.788 8.043 1.00 41.80 C ATOM 2082 CG MET B 768 13.217 21.133 6.745 1.00 47.68 C ATOM 2083 SD MET B 768 12.780 19.393 7.020 1.00 72.41 S ATOM 2084 CE MET B 768 14.356 18.744 7.637 1.00 67.93 C ATOM 0 H MET B 768 11.636 23.138 8.620 1.00 31.21 H new ATOM 0 HA MET B 768 12.384 20.608 9.224 1.00 33.75 H new ATOM 0 HB2 MET B 768 13.740 22.744 7.903 1.00 41.80 H new ATOM 0 HB3 MET B 768 14.536 21.458 8.283 1.00 41.80 H new ATOM 0 HG2 MET B 768 12.455 21.609 6.379 1.00 47.68 H new ATOM 0 HG3 MET B 768 13.930 21.193 6.090 1.00 47.68 H new ATOM 0 HE1 MET B 768 14.308 17.777 7.694 1.00 67.93 H new ATOM 0 HE2 MET B 768 15.070 18.996 7.030 1.00 67.93 H new ATOM 0 HE3 MET B 768 14.535 19.111 8.517 1.00 67.93 H new ATOM 2085 N ARG B 769 12.937 22.753 11.360 1.00 25.74 N ATOM 2086 CA ARG B 769 13.533 22.972 12.655 1.00 28.26 C ATOM 2087 C ARG B 769 13.324 21.792 13.573 1.00 27.69 C ATOM 2088 O ARG B 769 12.227 21.252 13.661 1.00 25.77 O ATOM 2089 CB ARG B 769 12.990 24.193 13.339 1.00 30.52 C ATOM 2090 CG ARG B 769 13.270 25.460 12.555 1.00 38.42 C ATOM 2091 CD ARG B 769 12.954 26.639 13.409 1.00 39.56 C ATOM 2092 NE ARG B 769 13.008 27.830 12.589 1.00 44.72 N ATOM 2093 CZ ARG B 769 12.509 29.012 12.923 1.00 45.38 C ATOM 2094 NH1 ARG B 769 11.883 29.185 14.096 1.00 48.83 N ATOM 2095 NH2 ARG B 769 12.633 30.031 12.062 1.00 48.11 N ATOM 0 H ARG B 769 12.301 23.293 11.151 1.00 25.74 H new ATOM 0 HA ARG B 769 14.479 23.097 12.483 1.00 28.26 H new ATOM 0 HB2 ARG B 769 12.033 24.095 13.461 1.00 30.52 H new ATOM 0 HB3 ARG B 769 13.382 24.268 14.223 1.00 30.52 H new ATOM 0 HG2 ARG B 769 14.200 25.485 12.280 1.00 38.42 H new ATOM 0 HG3 ARG B 769 12.734 25.479 11.746 1.00 38.42 H new ATOM 0 HD2 ARG B 769 12.074 26.542 13.804 1.00 39.56 H new ATOM 0 HD3 ARG B 769 13.588 26.705 14.140 1.00 39.56 H new ATOM 0 HE ARG B 769 13.395 27.766 11.824 1.00 44.72 H new ATOM 0 HH11 ARG B 769 11.802 28.525 14.641 1.00 48.83 H new ATOM 0 HH12 ARG B 769 11.563 29.956 14.303 1.00 48.83 H new ATOM 0 HH21 ARG B 769 13.030 29.912 11.309 1.00 48.11 H new ATOM 0 HH22 ARG B 769 12.315 30.805 12.263 1.00 48.11 H new ATOM 2096 N GLN B 770 14.365 21.479 14.346 1.00 26.81 N ATOM 2097 CA GLN B 770 14.285 20.384 15.296 1.00 27.07 C ATOM 2098 C GLN B 770 13.550 20.837 16.515 1.00 26.51 C ATOM 2099 O GLN B 770 13.557 22.026 16.895 1.00 23.39 O ATOM 2100 CB GLN B 770 15.711 19.865 15.608 1.00 29.13 C ATOM 2101 CG GLN B 770 16.316 19.140 14.418 1.00 34.16 C ATOM 2102 CD GLN B 770 17.696 18.597 14.691 1.00 43.25 C ATOM 2103 OE1 GLN B 770 18.116 18.462 15.832 1.00 41.50 O ATOM 2104 NE2 GLN B 770 18.408 18.285 13.638 1.00 51.85 N ATOM 0 H GLN B 770 15.121 21.889 14.332 1.00 26.81 H new ATOM 0 HA GLN B 770 13.787 19.640 14.922 1.00 27.07 H new ATOM 0 HB2 GLN B 770 16.280 20.610 15.857 1.00 29.13 H new ATOM 0 HB3 GLN B 770 15.678 19.266 16.370 1.00 29.13 H new ATOM 0 HG2 GLN B 770 15.732 18.409 14.161 1.00 34.16 H new ATOM 0 HG3 GLN B 770 16.358 19.748 13.663 1.00 34.16 H new ATOM 0 HE21 GLN B 770 18.081 18.393 12.850 1.00 51.85 H new ATOM 0 HE22 GLN B 770 19.203 17.972 13.734 1.00 51.85 H new ATOM 2105 N MET B 771 12.891 19.892 17.158 1.00 25.51 N ATOM 2106 CA MET B 771 12.130 20.238 18.360 1.00 26.20 C ATOM 2107 C MET B 771 12.940 20.385 19.616 1.00 24.37 C ATOM 2108 O MET B 771 12.691 19.716 20.611 1.00 24.49 O ATOM 2109 CB MET B 771 10.981 19.282 18.555 1.00 24.35 C ATOM 2110 CG MET B 771 10.016 19.332 17.409 1.00 29.67 C ATOM 2111 SD MET B 771 8.761 20.690 17.599 1.00 29.24 S ATOM 2112 CE MET B 771 7.579 19.856 18.586 1.00 29.11 C ATOM 0 H MET B 771 12.866 19.063 16.929 1.00 25.51 H new ATOM 0 HA MET B 771 11.787 21.130 18.193 1.00 26.20 H new ATOM 0 HB2 MET B 771 11.324 18.380 18.651 1.00 24.35 H new ATOM 0 HB3 MET B 771 10.517 19.498 19.379 1.00 24.35 H new ATOM 0 HG2 MET B 771 10.506 19.461 16.582 1.00 29.67 H new ATOM 0 HG3 MET B 771 9.558 18.480 17.337 1.00 29.67 H new ATOM 0 HE1 MET B 771 6.938 20.496 18.934 1.00 29.11 H new ATOM 0 HE2 MET B 771 7.116 19.195 18.048 1.00 29.11 H new ATOM 0 HE3 MET B 771 8.027 19.414 19.324 1.00 29.11 H new ATOM 2113 N LEU B 772 13.808 21.392 19.588 1.00 24.16 N ATOM 2114 CA LEU B 772 14.501 21.879 20.730 1.00 23.08 C ATOM 2115 C LEU B 772 13.462 22.508 21.686 1.00 25.21 C ATOM 2116 O LEU B 772 12.302 22.737 21.290 1.00 22.75 O ATOM 2117 CB LEU B 772 15.538 22.931 20.292 1.00 27.60 C ATOM 2118 CG LEU B 772 16.680 22.381 19.400 1.00 33.48 C ATOM 2119 CD1 LEU B 772 17.548 23.547 18.986 1.00 31.81 C ATOM 2120 CD2 LEU B 772 17.495 21.292 20.111 1.00 32.69 C ATOM 0 H LEU B 772 14.005 21.815 18.866 1.00 24.16 H new ATOM 0 HA LEU B 772 14.969 21.160 21.182 1.00 23.08 H new ATOM 0 HB2 LEU B 772 15.080 23.638 19.811 1.00 27.60 H new ATOM 0 HB3 LEU B 772 15.928 23.333 21.084 1.00 27.60 H new ATOM 0 HG LEU B 772 16.302 21.954 18.616 1.00 33.48 H new ATOM 0 HD11 LEU B 772 18.272 23.228 18.425 1.00 31.81 H new ATOM 0 HD12 LEU B 772 17.014 24.188 18.491 1.00 31.81 H new ATOM 0 HD13 LEU B 772 17.915 23.974 19.776 1.00 31.81 H new ATOM 0 HD21 LEU B 772 18.197 20.976 19.521 1.00 32.69 H new ATOM 0 HD22 LEU B 772 17.891 21.659 20.917 1.00 32.69 H new ATOM 0 HD23 LEU B 772 16.912 20.553 20.345 1.00 32.69 H new ATOM 2121 N PRO B 773 13.860 22.769 22.915 1.00 22.98 N ATOM 2122 CA PRO B 773 12.892 23.242 23.917 1.00 25.53 C ATOM 2123 C PRO B 773 12.064 24.478 23.523 1.00 27.32 C ATOM 2124 O PRO B 773 10.855 24.473 23.764 1.00 23.55 O ATOM 2125 CB PRO B 773 13.784 23.528 25.129 1.00 24.14 C ATOM 2126 CG PRO B 773 14.822 22.439 25.013 1.00 24.86 C ATOM 2127 CD PRO B 773 15.166 22.418 23.549 1.00 25.58 C ATOM 0 HA PRO B 773 12.197 22.581 24.061 1.00 25.53 H new ATOM 0 HB2 PRO B 773 14.179 24.413 25.089 1.00 24.14 H new ATOM 0 HB3 PRO B 773 13.292 23.474 25.963 1.00 24.14 H new ATOM 0 HG2 PRO B 773 15.601 22.631 25.558 1.00 24.86 H new ATOM 0 HG3 PRO B 773 14.473 21.583 25.308 1.00 24.86 H new ATOM 0 HD2 PRO B 773 15.859 23.060 23.330 1.00 25.58 H new ATOM 0 HD3 PRO B 773 15.485 21.547 23.264 1.00 25.58 H new ATOM 2128 N GLU B 774 12.676 25.458 22.845 1.00 26.14 N ATOM 2129 CA GLU B 774 11.905 26.662 22.438 1.00 29.88 C ATOM 2130 C GLU B 774 10.938 26.340 21.346 1.00 27.72 C ATOM 2131 O GLU B 774 9.801 26.858 21.355 1.00 25.52 O ATOM 2132 CB GLU B 774 12.822 27.877 22.088 1.00 30.07 C ATOM 2133 CG GLU B 774 13.385 28.489 23.368 1.00 38.63 C ATOM 2134 CD GLU B 774 14.203 29.781 23.190 1.00 48.46 C ATOM 2135 OE1 GLU B 774 14.349 30.312 22.049 1.00 44.11 O ATOM 2136 OE2 GLU B 774 14.676 30.267 24.244 1.00 48.58 O ATOM 0 H GLU B 774 13.505 25.455 22.615 1.00 26.14 H new ATOM 0 HA GLU B 774 11.387 26.942 23.209 1.00 29.88 H new ATOM 0 HB2 GLU B 774 13.547 27.590 21.511 1.00 30.07 H new ATOM 0 HB3 GLU B 774 12.316 28.543 21.597 1.00 30.07 H new ATOM 0 HG2 GLU B 774 12.647 28.674 23.970 1.00 38.63 H new ATOM 0 HG3 GLU B 774 13.947 27.828 23.803 1.00 38.63 H new ATOM 2137 N GLU B 775 11.325 25.481 20.414 1.00 25.71 N ATOM 2138 CA GLU B 775 10.423 25.052 19.382 1.00 26.82 C ATOM 2139 C GLU B 775 9.247 24.190 19.909 1.00 26.71 C ATOM 2140 O GLU B 775 8.134 24.335 19.430 1.00 24.96 O ATOM 2141 CB GLU B 775 11.106 24.366 18.157 1.00 30.19 C ATOM 2142 CG GLU B 775 12.341 25.085 17.609 1.00 43.74 C ATOM 2143 CD GLU B 775 12.159 26.545 17.179 1.00 53.66 C ATOM 2144 OE1 GLU B 775 11.175 26.881 16.490 1.00 57.62 O ATOM 2145 OE2 GLU B 775 13.052 27.356 17.496 1.00 60.42 O ATOM 0 H GLU B 775 12.112 25.138 20.369 1.00 25.71 H new ATOM 0 HA GLU B 775 10.055 25.887 19.054 1.00 26.82 H new ATOM 0 HB2 GLU B 775 11.360 23.465 18.410 1.00 30.19 H new ATOM 0 HB3 GLU B 775 10.453 24.287 17.444 1.00 30.19 H new ATOM 0 HG2 GLU B 775 13.034 25.054 18.287 1.00 43.74 H new ATOM 0 HG3 GLU B 775 12.668 24.584 16.846 1.00 43.74 H new ATOM 2146 N GLN B 776 9.521 23.324 20.868 1.00 22.68 N ATOM 2147 CA GLN B 776 8.548 22.449 21.509 1.00 23.69 C ATOM 2148 C GLN B 776 7.507 23.388 22.209 1.00 23.22 C ATOM 2149 O GLN B 776 6.324 23.215 22.043 1.00 20.70 O ATOM 2150 CB GLN B 776 9.309 21.544 22.488 1.00 24.77 C ATOM 2151 CG GLN B 776 8.484 20.762 23.477 1.00 25.51 C ATOM 2152 CD GLN B 776 7.887 19.527 22.859 1.00 25.79 C ATOM 2153 OE1 GLN B 776 8.384 18.988 21.885 1.00 25.83 O ATOM 2154 NE2 GLN B 776 6.810 19.079 23.433 1.00 25.63 N ATOM 0 H GLN B 776 10.316 23.223 21.180 1.00 22.68 H new ATOM 0 HA GLN B 776 8.073 21.868 20.895 1.00 23.69 H new ATOM 0 HB2 GLN B 776 9.836 20.915 21.970 1.00 24.77 H new ATOM 0 HB3 GLN B 776 9.934 22.095 22.985 1.00 24.77 H new ATOM 0 HG2 GLN B 776 9.038 20.510 24.232 1.00 25.51 H new ATOM 0 HG3 GLN B 776 7.774 21.326 23.822 1.00 25.51 H new ATOM 0 HE21 GLN B 776 6.487 19.485 24.119 1.00 25.63 H new ATOM 0 HE22 GLN B 776 6.420 18.376 23.127 1.00 25.63 H new ATOM 2155 N LEU B 777 7.984 24.438 22.866 1.00 24.35 N ATOM 2156 CA LEU B 777 7.083 25.396 23.509 1.00 24.77 C ATOM 2157 C LEU B 777 6.214 26.166 22.500 1.00 24.55 C ATOM 2158 O LEU B 777 5.014 26.315 22.710 1.00 23.46 O ATOM 2159 CB LEU B 777 7.875 26.346 24.396 1.00 26.32 C ATOM 2160 CG LEU B 777 7.053 27.210 25.325 1.00 31.69 C ATOM 2161 CD1 LEU B 777 6.506 26.340 26.489 1.00 30.37 C ATOM 2162 CD2 LEU B 777 7.878 28.347 25.930 1.00 35.54 C ATOM 0 H LEU B 777 8.821 24.616 22.953 1.00 24.35 H new ATOM 0 HA LEU B 777 6.468 24.889 24.061 1.00 24.77 H new ATOM 0 HB2 LEU B 777 8.495 25.824 24.929 1.00 26.32 H new ATOM 0 HB3 LEU B 777 8.407 26.925 23.828 1.00 26.32 H new ATOM 0 HG LEU B 777 6.332 27.593 24.801 1.00 31.69 H new ATOM 0 HD11 LEU B 777 5.978 26.893 27.086 1.00 30.37 H new ATOM 0 HD12 LEU B 777 5.950 25.631 26.130 1.00 30.37 H new ATOM 0 HD13 LEU B 777 7.248 25.952 26.979 1.00 30.37 H new ATOM 0 HD21 LEU B 777 7.317 28.877 26.518 1.00 35.54 H new ATOM 0 HD22 LEU B 777 8.618 27.976 26.437 1.00 35.54 H new ATOM 0 HD23 LEU B 777 8.223 28.910 25.220 1.00 35.54 H new ATOM 2163 N LYS B 778 6.778 26.589 21.386 1.00 21.51 N ATOM 2164 CA LYS B 778 5.992 27.252 20.383 1.00 20.98 C ATOM 2165 C LYS B 778 4.928 26.398 19.816 1.00 21.94 C ATOM 2166 O LYS B 778 3.809 26.903 19.504 1.00 25.50 O ATOM 2167 CB LYS B 778 6.903 27.887 19.306 1.00 23.59 C ATOM 2168 CG LYS B 778 7.636 29.082 19.793 1.00 25.87 C ATOM 2169 CD LYS B 778 8.791 29.436 18.844 1.00 32.94 C ATOM 2170 CE LYS B 778 9.290 30.811 19.141 1.00 41.31 C ATOM 2171 NZ LYS B 778 10.510 31.054 18.316 1.00 49.98 N ATOM 0 H LYS B 778 7.612 26.500 21.196 1.00 21.51 H new ATOM 0 HA LYS B 778 5.515 27.974 20.821 1.00 20.98 H new ATOM 0 HB2 LYS B 778 7.542 27.225 19.000 1.00 23.59 H new ATOM 0 HB3 LYS B 778 6.363 28.136 18.539 1.00 23.59 H new ATOM 0 HG2 LYS B 778 7.027 29.834 19.863 1.00 25.87 H new ATOM 0 HG3 LYS B 778 7.983 28.914 20.683 1.00 25.87 H new ATOM 0 HD2 LYS B 778 9.511 28.794 18.944 1.00 32.94 H new ATOM 0 HD3 LYS B 778 8.491 29.384 17.923 1.00 32.94 H new ATOM 0 HE2 LYS B 778 8.608 31.470 18.937 1.00 41.31 H new ATOM 0 HE3 LYS B 778 9.497 30.899 20.085 1.00 41.31 H new ATOM 0 HZ1 LYS B 778 10.822 31.871 18.481 1.00 49.98 H new ATOM 0 HZ2 LYS B 778 11.133 30.452 18.522 1.00 49.98 H new ATOM 0 HZ3 LYS B 778 10.304 30.984 17.453 1.00 49.98 H new ATOM 2172 N CYS B 779 5.195 25.105 19.613 1.00 19.47 N ATOM 2173 CA CYS B 779 4.187 24.233 19.118 1.00 19.71 C ATOM 2174 C CYS B 779 3.104 23.966 20.188 1.00 17.41 C ATOM 2175 O CYS B 779 1.923 23.839 19.847 1.00 16.58 O ATOM 2176 CB CYS B 779 4.766 22.880 18.690 1.00 22.47 C ATOM 2177 SG CYS B 779 5.778 22.961 17.183 1.00 27.24 S ATOM 0 H CYS B 779 5.957 24.734 19.761 1.00 19.47 H new ATOM 0 HA CYS B 779 3.797 24.679 18.350 1.00 19.71 H new ATOM 0 HB2 CYS B 779 5.306 22.525 19.414 1.00 22.47 H new ATOM 0 HB3 CYS B 779 4.037 22.256 18.547 1.00 22.47 H new ATOM 0 HG CYS B 779 6.722 22.229 17.295 1.00 27.24 H new ATOM 2178 N GLU B 780 3.518 23.832 21.442 1.00 17.38 N ATOM 2179 CA GLU B 780 2.564 23.791 22.556 1.00 19.12 C ATOM 2180 C GLU B 780 1.602 25.036 22.613 1.00 21.20 C ATOM 2181 O GLU B 780 0.376 24.909 22.784 1.00 18.94 O ATOM 2182 CB GLU B 780 3.278 23.663 23.867 1.00 20.64 C ATOM 2183 CG GLU B 780 3.796 22.241 24.071 1.00 23.71 C ATOM 2184 CD GLU B 780 4.889 22.084 25.159 1.00 28.90 C ATOM 2185 OE1 GLU B 780 5.388 23.144 25.614 1.00 31.35 O ATOM 2186 OE2 GLU B 780 5.329 20.883 25.500 1.00 31.63 O ATOM 0 H GLU B 780 4.343 23.763 21.674 1.00 17.38 H new ATOM 0 HA GLU B 780 2.014 23.009 22.394 1.00 19.12 H new ATOM 0 HB2 GLU B 780 4.019 24.288 23.898 1.00 20.64 H new ATOM 0 HB3 GLU B 780 2.677 23.899 24.591 1.00 20.64 H new ATOM 0 HG2 GLU B 780 3.047 21.670 24.301 1.00 23.71 H new ATOM 0 HG3 GLU B 780 4.151 21.918 23.228 1.00 23.71 H new ATOM 2187 N PHE B 781 2.180 26.185 22.343 1.00 18.12 N ATOM 2188 CA PHE B 781 1.392 27.414 22.344 1.00 21.58 C ATOM 2189 C PHE B 781 0.487 27.480 21.198 1.00 18.83 C ATOM 2190 O PHE B 781 -0.723 27.812 21.336 1.00 17.65 O ATOM 2191 CB PHE B 781 2.330 28.584 22.398 1.00 22.56 C ATOM 2192 CG PHE B 781 1.648 29.912 22.503 1.00 24.30 C ATOM 2193 CD1 PHE B 781 0.802 30.180 23.593 1.00 25.48 C ATOM 2194 CD2 PHE B 781 1.988 30.954 21.615 1.00 24.48 C ATOM 2195 CE1 PHE B 781 0.199 31.446 23.742 1.00 26.78 C ATOM 2196 CE2 PHE B 781 1.378 32.211 21.755 1.00 30.05 C ATOM 2197 CZ PHE B 781 0.499 32.462 22.849 1.00 27.27 C ATOM 0 H PHE B 781 3.014 26.284 22.158 1.00 18.12 H new ATOM 0 HA PHE B 781 0.821 27.432 23.128 1.00 21.58 H new ATOM 0 HB2 PHE B 781 2.923 28.475 23.158 1.00 22.56 H new ATOM 0 HB3 PHE B 781 2.884 28.578 21.602 1.00 22.56 H new ATOM 0 HD1 PHE B 781 0.638 29.515 24.223 1.00 25.48 H new ATOM 0 HD2 PHE B 781 2.612 30.809 20.941 1.00 24.48 H new ATOM 0 HE1 PHE B 781 -0.399 31.599 24.438 1.00 26.78 H new ATOM 0 HE2 PHE B 781 1.548 32.881 21.133 1.00 30.05 H new ATOM 0 HZ PHE B 781 0.127 33.307 22.963 1.00 27.27 H new ATOM 2198 N LEU B 782 0.966 27.045 20.044 1.00 19.47 N ATOM 2199 CA LEU B 782 0.105 26.944 18.873 1.00 20.93 C ATOM 2200 C LEU B 782 -1.068 26.018 19.055 1.00 23.02 C ATOM 2201 O LEU B 782 -2.228 26.313 18.678 1.00 19.05 O ATOM 2202 CB LEU B 782 0.939 26.549 17.649 1.00 22.89 C ATOM 2203 CG LEU B 782 0.320 26.380 16.314 1.00 30.30 C ATOM 2204 CD1 LEU B 782 -0.583 27.553 15.891 1.00 33.99 C ATOM 2205 CD2 LEU B 782 1.495 26.268 15.356 1.00 32.76 C ATOM 0 H LEU B 782 1.781 26.804 19.915 1.00 19.47 H new ATOM 0 HA LEU B 782 -0.284 27.822 18.735 1.00 20.93 H new ATOM 0 HB2 LEU B 782 1.635 27.218 17.554 1.00 22.89 H new ATOM 0 HB3 LEU B 782 1.377 25.711 17.865 1.00 22.89 H new ATOM 0 HG LEU B 782 -0.264 25.605 16.318 1.00 30.30 H new ATOM 0 HD11 LEU B 782 -0.953 27.376 15.012 1.00 33.99 H new ATOM 0 HD12 LEU B 782 -1.305 27.653 16.531 1.00 33.99 H new ATOM 0 HD13 LEU B 782 -0.061 28.370 15.863 1.00 33.99 H new ATOM 0 HD21 LEU B 782 1.165 26.154 14.451 1.00 32.76 H new ATOM 0 HD22 LEU B 782 2.031 27.075 15.405 1.00 32.76 H new ATOM 0 HD23 LEU B 782 2.040 25.503 15.600 1.00 32.76 H new ATOM 2206 N LEU B 783 -0.796 24.853 19.606 1.00 22.43 N ATOM 2207 CA LEU B 783 -1.899 23.921 19.878 1.00 19.36 C ATOM 2208 C LEU B 783 -2.926 24.548 20.853 1.00 18.72 C ATOM 2209 O LEU B 783 -4.170 24.396 20.690 1.00 16.45 O ATOM 2210 CB LEU B 783 -1.333 22.599 20.465 1.00 17.98 C ATOM 2211 CG LEU B 783 -2.333 21.501 20.796 1.00 18.22 C ATOM 2212 CD1 LEU B 783 -3.133 21.119 19.573 1.00 19.65 C ATOM 2213 CD2 LEU B 783 -1.581 20.287 21.294 1.00 19.41 C ATOM 0 H LEU B 783 -0.012 24.578 19.828 1.00 22.43 H new ATOM 0 HA LEU B 783 -2.357 23.730 19.044 1.00 19.36 H new ATOM 0 HB2 LEU B 783 -0.691 22.240 19.833 1.00 17.98 H new ATOM 0 HB3 LEU B 783 -0.844 22.815 21.275 1.00 17.98 H new ATOM 0 HG LEU B 783 -2.942 21.827 21.477 1.00 18.22 H new ATOM 0 HD11 LEU B 783 -3.764 20.419 19.804 1.00 19.65 H new ATOM 0 HD12 LEU B 783 -3.616 21.894 19.247 1.00 19.65 H new ATOM 0 HD13 LEU B 783 -2.534 20.798 18.881 1.00 19.65 H new ATOM 0 HD21 LEU B 783 -2.211 19.581 21.508 1.00 19.41 H new ATOM 0 HD22 LEU B 783 -0.972 19.978 20.605 1.00 19.41 H new ATOM 0 HD23 LEU B 783 -1.077 20.522 22.089 1.00 19.41 H new ATOM 2214 N LEU B 784 -2.415 25.145 21.919 1.00 20.38 N ATOM 2215 CA LEU B 784 -3.271 25.864 22.894 1.00 20.73 C ATOM 2216 C LEU B 784 -4.132 26.941 22.255 1.00 20.07 C ATOM 2217 O LEU B 784 -5.307 27.019 22.611 1.00 22.25 O ATOM 2218 CB LEU B 784 -2.506 26.427 24.019 1.00 19.91 C ATOM 2219 CG LEU B 784 -3.323 27.181 25.103 1.00 22.48 C ATOM 2220 CD1 LEU B 784 -2.701 26.947 26.437 1.00 25.39 C ATOM 2221 CD2 LEU B 784 -3.301 28.696 24.899 1.00 25.44 C ATOM 0 H LEU B 784 -1.576 25.153 22.109 1.00 20.38 H new ATOM 0 HA LEU B 784 -3.866 25.184 23.246 1.00 20.73 H new ATOM 0 HB2 LEU B 784 -2.024 25.704 24.450 1.00 19.91 H new ATOM 0 HB3 LEU B 784 -1.842 27.037 23.660 1.00 19.91 H new ATOM 0 HG LEU B 784 -4.233 26.850 25.043 1.00 22.48 H new ATOM 0 HD11 LEU B 784 -3.208 27.416 27.118 1.00 25.39 H new ATOM 0 HD12 LEU B 784 -2.701 25.997 26.632 1.00 25.39 H new ATOM 0 HD13 LEU B 784 -1.788 27.275 26.431 1.00 25.39 H new ATOM 0 HD21 LEU B 784 -3.822 29.124 25.596 1.00 25.44 H new ATOM 0 HD22 LEU B 784 -2.386 29.015 24.938 1.00 25.44 H new ATOM 0 HD23 LEU B 784 -3.681 28.912 24.033 1.00 25.44 H new ATOM 2222 N LYS B 785 -3.615 27.718 21.302 1.00 21.02 N ATOM 2223 CA LYS B 785 -4.443 28.697 20.554 1.00 23.02 C ATOM 2224 C LYS B 785 -5.560 28.083 19.786 1.00 22.68 C ATOM 2225 O LYS B 785 -6.650 28.660 19.710 1.00 22.18 O ATOM 2226 CB LYS B 785 -3.602 29.599 19.612 1.00 24.74 C ATOM 2227 CG LYS B 785 -2.589 30.481 20.343 1.00 26.92 C ATOM 2228 CD LYS B 785 -3.088 31.439 21.377 1.00 32.05 C ATOM 2229 CE LYS B 785 -4.052 32.478 20.901 1.00 34.46 C ATOM 2230 NZ LYS B 785 -3.422 33.563 20.162 1.00 41.07 N ATOM 0 H LYS B 785 -2.788 27.701 21.066 1.00 21.02 H new ATOM 0 HA LYS B 785 -4.835 29.248 21.249 1.00 23.02 H new ATOM 0 HB2 LYS B 785 -3.130 29.038 18.977 1.00 24.74 H new ATOM 0 HB3 LYS B 785 -4.201 30.165 19.100 1.00 24.74 H new ATOM 0 HG2 LYS B 785 -1.944 29.896 20.770 1.00 26.92 H new ATOM 0 HG3 LYS B 785 -2.108 30.993 19.674 1.00 26.92 H new ATOM 0 HD2 LYS B 785 -3.513 30.930 22.085 1.00 32.05 H new ATOM 0 HD3 LYS B 785 -2.324 31.889 21.770 1.00 32.05 H new ATOM 0 HE2 LYS B 785 -4.718 32.056 20.336 1.00 34.46 H new ATOM 0 HE3 LYS B 785 -4.521 32.847 21.665 1.00 34.46 H new ATOM 0 HZ1 LYS B 785 -3.973 34.261 20.132 1.00 41.07 H new ATOM 0 HZ2 LYS B 785 -2.666 33.799 20.568 1.00 41.07 H new ATOM 0 HZ3 LYS B 785 -3.241 33.293 19.334 1.00 41.07 H new ATOM 2231 N VAL B 786 -5.366 26.888 19.215 1.00 22.59 N ATOM 2232 CA VAL B 786 -6.462 26.185 18.624 1.00 20.59 C ATOM 2233 C VAL B 786 -7.543 25.781 19.653 1.00 22.31 C ATOM 2234 O VAL B 786 -8.739 25.915 19.377 1.00 23.07 O ATOM 2235 CB VAL B 786 -6.011 24.961 17.821 1.00 21.50 C ATOM 2236 CG1 VAL B 786 -7.191 24.183 17.282 1.00 22.23 C ATOM 2237 CG2 VAL B 786 -5.097 25.404 16.656 1.00 22.35 C ATOM 0 H VAL B 786 -4.607 26.485 19.169 1.00 22.59 H new ATOM 0 HA VAL B 786 -6.864 26.817 18.008 1.00 20.59 H new ATOM 0 HB VAL B 786 -5.518 24.378 18.419 1.00 21.50 H new ATOM 0 HG11 VAL B 786 -6.872 23.417 16.780 1.00 22.23 H new ATOM 0 HG12 VAL B 786 -7.742 23.879 18.020 1.00 22.23 H new ATOM 0 HG13 VAL B 786 -7.717 24.754 16.700 1.00 22.23 H new ATOM 0 HG21 VAL B 786 -4.815 24.625 16.152 1.00 22.35 H new ATOM 0 HG22 VAL B 786 -5.585 26.007 16.073 1.00 22.35 H new ATOM 0 HG23 VAL B 786 -4.317 25.859 17.011 1.00 22.35 H new ATOM 2238 N TYR B 787 -7.133 25.161 20.770 1.00 20.89 N ATOM 2239 CA TYR B 787 -8.084 24.783 21.850 1.00 20.30 C ATOM 2240 C TYR B 787 -8.858 26.014 22.381 1.00 20.76 C ATOM 2241 O TYR B 787 -10.026 25.856 22.808 1.00 23.03 O ATOM 2242 CB TYR B 787 -7.365 24.050 23.015 1.00 19.68 C ATOM 2243 CG TYR B 787 -7.124 22.578 22.844 1.00 20.84 C ATOM 2244 CD1 TYR B 787 -8.122 21.649 23.071 1.00 23.70 C ATOM 2245 CD2 TYR B 787 -5.876 22.083 22.527 1.00 23.31 C ATOM 2246 CE1 TYR B 787 -7.903 20.298 22.947 1.00 19.84 C ATOM 2247 CE2 TYR B 787 -5.665 20.735 22.403 1.00 21.98 C ATOM 2248 CZ TYR B 787 -6.648 19.865 22.642 1.00 22.54 C ATOM 2249 OH TYR B 787 -6.360 18.535 22.592 1.00 21.09 O ATOM 0 H TYR B 787 -6.315 24.949 20.928 1.00 20.89 H new ATOM 0 HA TYR B 787 -8.725 24.169 21.459 1.00 20.30 H new ATOM 0 HB2 TYR B 787 -6.509 24.481 23.161 1.00 19.68 H new ATOM 0 HB3 TYR B 787 -7.888 24.179 23.822 1.00 19.68 H new ATOM 0 HD1 TYR B 787 -8.968 21.948 23.315 1.00 23.70 H new ATOM 0 HD2 TYR B 787 -5.168 22.672 22.396 1.00 23.31 H new ATOM 0 HE1 TYR B 787 -8.598 19.692 23.069 1.00 19.84 H new ATOM 0 HE2 TYR B 787 -4.827 20.423 22.149 1.00 21.98 H new ATOM 0 HH TYR B 787 -6.985 18.099 22.945 1.00 21.09 H new ATOM 2250 N CYS B 788 -8.260 27.192 22.343 1.00 19.12 N ATOM 2251 CA CYS B 788 -8.950 28.442 22.783 1.00 25.00 C ATOM 2252 C CYS B 788 -10.203 28.769 21.993 1.00 25.92 C ATOM 2253 O CYS B 788 -11.104 29.386 22.539 1.00 29.79 O ATOM 2254 CB CYS B 788 -8.058 29.660 22.736 1.00 22.96 C ATOM 2255 SG CYS B 788 -6.815 29.658 24.052 1.00 27.78 S ATOM 0 H CYS B 788 -7.454 27.311 22.069 1.00 19.12 H new ATOM 0 HA CYS B 788 -9.195 28.241 23.700 1.00 25.00 H new ATOM 0 HB2 CYS B 788 -7.613 29.699 21.875 1.00 22.96 H new ATOM 0 HB3 CYS B 788 -8.602 30.459 22.810 1.00 22.96 H new ATOM 0 HG CYS B 788 -6.021 28.781 23.851 1.00 27.78 H new ATOM 2256 N ASP B 789 -10.293 28.294 20.761 1.00 24.34 N ATOM 2257 CA ASP B 789 -11.494 28.486 19.953 1.00 26.95 C ATOM 2258 C ASP B 789 -12.546 27.534 20.328 1.00 27.14 C ATOM 2259 O ASP B 789 -12.312 26.357 20.435 1.00 24.44 O ATOM 2260 CB ASP B 789 -11.201 28.347 18.453 1.00 27.01 C ATOM 2261 CG ASP B 789 -12.290 29.039 17.615 1.00 32.68 C ATOM 2262 OD1 ASP B 789 -13.379 28.489 17.474 1.00 33.92 O ATOM 2263 OD2 ASP B 789 -12.078 30.214 17.260 1.00 33.79 O ATOM 0 H ASP B 789 -9.667 27.854 20.369 1.00 24.34 H new ATOM 0 HA ASP B 789 -11.802 29.389 20.128 1.00 26.95 H new ATOM 0 HB2 ASP B 789 -10.336 28.736 18.251 1.00 27.01 H new ATOM 0 HB3 ASP B 789 -11.152 27.408 18.215 1.00 27.01 H new ATOM 2264 N SER B 790 -13.781 28.011 20.507 1.00 27.56 N ATOM 2265 CA SER B 790 -14.809 27.118 21.050 1.00 28.02 C ATOM 2266 C SER B 790 -15.166 26.065 19.979 1.00 27.17 C ATOM 2267 O SER B 790 -15.598 24.978 20.313 1.00 28.47 O ATOM 2268 CB SER B 790 -16.047 27.923 21.426 1.00 35.17 C ATOM 2269 OG SER B 790 -16.431 28.584 20.227 1.00 42.50 O ATOM 0 H SER B 790 -14.037 28.813 20.329 1.00 27.56 H new ATOM 0 HA SER B 790 -14.476 26.675 21.846 1.00 28.02 H new ATOM 0 HB2 SER B 790 -16.756 27.347 21.752 1.00 35.17 H new ATOM 0 HB3 SER B 790 -15.852 28.559 22.131 1.00 35.17 H new ATOM 0 HG SER B 790 -16.162 29.379 20.247 1.00 42.50 H new ATOM 2270 N LYS B 791 -14.904 26.332 18.696 1.00 22.41 N ATOM 2271 CA LYS B 791 -15.137 25.307 17.672 1.00 25.74 C ATOM 2272 C LYS B 791 -14.130 24.132 17.707 1.00 25.50 C ATOM 2273 O LYS B 791 -14.339 23.094 17.066 1.00 25.88 O ATOM 2274 CB LYS B 791 -15.082 25.982 16.302 1.00 29.56 C ATOM 2275 CG LYS B 791 -16.246 26.973 16.049 1.00 34.73 C ATOM 2276 CD LYS B 791 -15.935 27.891 14.857 1.00 41.92 C ATOM 2277 CE LYS B 791 -17.089 28.820 14.539 1.00 48.34 C ATOM 2278 NZ LYS B 791 -18.205 28.131 13.834 1.00 46.17 N ATOM 0 H LYS B 791 -14.599 27.080 18.403 1.00 22.41 H new ATOM 0 HA LYS B 791 -16.006 24.915 17.853 1.00 25.74 H new ATOM 0 HB2 LYS B 791 -14.240 26.456 16.217 1.00 29.56 H new ATOM 0 HB3 LYS B 791 -15.094 25.299 15.613 1.00 29.56 H new ATOM 0 HG2 LYS B 791 -17.064 26.480 15.878 1.00 34.73 H new ATOM 0 HG3 LYS B 791 -16.398 27.508 16.843 1.00 34.73 H new ATOM 0 HD2 LYS B 791 -15.143 28.416 15.052 1.00 41.92 H new ATOM 0 HD3 LYS B 791 -15.732 27.350 14.078 1.00 41.92 H new ATOM 0 HE2 LYS B 791 -17.423 29.208 15.363 1.00 48.34 H new ATOM 0 HE3 LYS B 791 -16.768 29.552 13.990 1.00 48.34 H new ATOM 0 HZ1 LYS B 791 -18.925 28.654 13.836 1.00 46.17 H new ATOM 0 HZ2 LYS B 791 -17.965 27.960 12.994 1.00 46.17 H new ATOM 0 HZ3 LYS B 791 -18.393 27.367 14.250 1.00 46.17 H new ATOM 2279 N SER B 792 -13.050 24.282 18.458 1.00 22.96 N ATOM 2280 CA SER B 792 -12.132 23.143 18.648 1.00 22.26 C ATOM 2281 C SER B 792 -12.826 21.900 19.211 1.00 25.23 C ATOM 2282 O SER B 792 -12.279 20.775 19.064 1.00 25.64 O ATOM 2283 CB SER B 792 -10.934 23.532 19.536 1.00 24.12 C ATOM 2284 OG SER B 792 -11.364 23.834 20.847 1.00 23.51 O ATOM 0 H SER B 792 -12.825 25.008 18.860 1.00 22.96 H new ATOM 0 HA SER B 792 -11.808 22.912 17.763 1.00 22.26 H new ATOM 0 HB2 SER B 792 -10.293 22.804 19.560 1.00 24.12 H new ATOM 0 HB3 SER B 792 -10.478 24.299 19.155 1.00 24.12 H new ATOM 0 HG SER B 792 -11.688 24.609 20.864 1.00 23.51 H new ATOM 2285 N CYS B 793 -14.020 22.051 19.826 1.00 24.05 N ATOM 2286 CA CYS B 793 -14.653 20.916 20.481 1.00 28.97 C ATOM 2287 C CYS B 793 -14.915 19.823 19.462 1.00 25.92 C ATOM 2288 O CYS B 793 -14.805 18.685 19.815 1.00 27.45 O ATOM 2289 CB CYS B 793 -15.969 21.334 21.237 1.00 34.88 C ATOM 2290 SG CYS B 793 -17.267 21.896 20.095 1.00 36.47 S ATOM 0 H CYS B 793 -14.460 22.789 19.868 1.00 24.05 H new ATOM 0 HA CYS B 793 -14.048 20.573 21.157 1.00 28.97 H new ATOM 0 HB2 CYS B 793 -16.298 20.581 21.752 1.00 34.88 H new ATOM 0 HB3 CYS B 793 -15.767 22.042 21.868 1.00 34.88 H new ATOM 0 HG CYS B 793 -18.246 22.200 20.719 1.00 36.47 H new ATOM 2291 N PHE B 794 -15.194 20.193 18.177 1.00 22.14 N ATOM 2292 CA PHE B 794 -15.484 19.229 17.173 1.00 20.90 C ATOM 2293 C PHE B 794 -14.288 18.349 16.800 1.00 22.02 C ATOM 2294 O PHE B 794 -14.469 17.273 16.212 1.00 24.66 O ATOM 2295 CB PHE B 794 -16.027 19.879 15.881 1.00 23.89 C ATOM 2296 CG PHE B 794 -17.347 20.651 16.069 1.00 22.97 C ATOM 2297 CD1 PHE B 794 -18.499 19.968 16.364 1.00 23.40 C ATOM 2298 CD2 PHE B 794 -17.372 22.049 16.011 1.00 23.35 C ATOM 2299 CE1 PHE B 794 -19.721 20.649 16.548 1.00 23.87 C ATOM 2300 CE2 PHE B 794 -18.586 22.770 16.195 1.00 24.67 C ATOM 2301 CZ PHE B 794 -19.767 22.038 16.456 1.00 23.66 C ATOM 0 H PHE B 794 -15.211 21.008 17.904 1.00 22.14 H new ATOM 0 HA PHE B 794 -16.165 18.666 17.574 1.00 20.90 H new ATOM 0 HB2 PHE B 794 -15.357 20.486 15.530 1.00 23.89 H new ATOM 0 HB3 PHE B 794 -16.161 19.187 15.214 1.00 23.89 H new ATOM 0 HD1 PHE B 794 -18.474 19.042 16.444 1.00 23.40 H new ATOM 0 HD2 PHE B 794 -16.583 22.515 15.850 1.00 23.35 H new ATOM 0 HE1 PHE B 794 -20.497 20.170 16.731 1.00 23.87 H new ATOM 0 HE2 PHE B 794 -18.602 23.699 16.145 1.00 24.67 H new ATOM 0 HZ PHE B 794 -20.575 22.484 16.566 1.00 23.66 H new ATOM 2302 N PHE B 795 -13.084 18.832 17.097 1.00 23.59 N ATOM 2303 CA PHE B 795 -11.833 18.195 16.653 1.00 22.08 C ATOM 2304 C PHE B 795 -10.999 17.584 17.790 1.00 25.68 C ATOM 2305 O PHE B 795 -9.909 17.116 17.496 1.00 22.85 O ATOM 2306 CB PHE B 795 -11.028 19.253 15.938 1.00 21.27 C ATOM 2307 CG PHE B 795 -11.774 19.819 14.762 1.00 26.93 C ATOM 2308 CD1 PHE B 795 -11.903 19.070 13.622 1.00 23.10 C ATOM 2309 CD2 PHE B 795 -12.375 21.081 14.818 1.00 27.67 C ATOM 2310 CE1 PHE B 795 -12.665 19.541 12.516 1.00 28.01 C ATOM 2311 CE2 PHE B 795 -13.128 21.557 13.722 1.00 28.80 C ATOM 2312 CZ PHE B 795 -13.250 20.804 12.573 1.00 27.40 C ATOM 0 H PHE B 795 -12.964 19.543 17.565 1.00 23.59 H new ATOM 0 HA PHE B 795 -12.062 17.449 16.077 1.00 22.08 H new ATOM 0 HB2 PHE B 795 -10.809 19.967 16.557 1.00 21.27 H new ATOM 0 HB3 PHE B 795 -10.188 18.872 15.636 1.00 21.27 H new ATOM 0 HD1 PHE B 795 -11.486 18.240 13.570 1.00 23.10 H new ATOM 0 HD2 PHE B 795 -12.279 21.608 15.578 1.00 27.67 H new ATOM 0 HE1 PHE B 795 -12.772 19.009 11.760 1.00 28.01 H new ATOM 0 HE2 PHE B 795 -13.546 22.386 13.776 1.00 28.80 H new ATOM 0 HZ PHE B 795 -13.719 21.137 11.842 1.00 27.40 H new ATOM 2313 N ALA B 796 -11.483 17.638 19.036 1.00 23.22 N ATOM 2314 CA ALA B 796 -10.672 17.321 20.248 1.00 22.12 C ATOM 2315 C ALA B 796 -10.549 15.813 20.439 1.00 22.39 C ATOM 2316 O ALA B 796 -9.481 15.341 20.746 1.00 22.43 O ATOM 2317 CB ALA B 796 -11.301 17.935 21.508 1.00 24.58 C ATOM 0 H ALA B 796 -12.295 17.860 19.214 1.00 23.22 H new ATOM 0 HA ALA B 796 -9.790 17.702 20.113 1.00 22.12 H new ATOM 0 HB1 ALA B 796 -10.757 17.716 22.281 1.00 24.58 H new ATOM 0 HB2 ALA B 796 -11.349 18.899 21.409 1.00 24.58 H new ATOM 0 HB3 ALA B 796 -12.195 17.578 21.630 1.00 24.58 H new ATOM 2318 N SER B 797 -11.645 15.086 20.326 1.00 23.11 N ATOM 2319 CA SER B 797 -11.727 13.681 20.548 1.00 27.26 C ATOM 2320 C SER B 797 -11.715 12.868 19.285 1.00 28.15 C ATOM 2321 O SER B 797 -11.861 13.397 18.202 1.00 27.82 O ATOM 2322 CB SER B 797 -13.044 13.341 21.320 1.00 31.40 C ATOM 2323 OG SER B 797 -12.924 13.820 22.621 1.00 40.10 O ATOM 0 H SER B 797 -12.401 15.431 20.104 1.00 23.11 H new ATOM 0 HA SER B 797 -10.936 13.449 21.060 1.00 27.26 H new ATOM 0 HB2 SER B 797 -13.808 13.746 20.880 1.00 31.40 H new ATOM 0 HB3 SER B 797 -13.195 12.383 21.325 1.00 31.40 H new ATOM 0 HG SER B 797 -13.625 13.646 23.050 1.00 40.10 H new ATOM 2324 N GLU B 798 -11.569 11.560 19.441 1.00 28.75 N ATOM 2325 CA GLU B 798 -11.574 10.630 18.326 1.00 31.89 C ATOM 2326 C GLU B 798 -12.912 10.724 17.528 1.00 34.62 C ATOM 2327 O GLU B 798 -13.979 10.576 18.093 1.00 36.22 O ATOM 2328 CB GLU B 798 -11.383 9.211 18.830 1.00 34.44 C ATOM 2329 CG GLU B 798 -11.204 8.185 17.730 1.00 45.72 C ATOM 2330 CD GLU B 798 -10.663 6.858 18.227 1.00 49.22 C ATOM 2331 OE1 GLU B 798 -10.164 6.125 17.384 1.00 62.54 O ATOM 2332 OE2 GLU B 798 -10.725 6.546 19.424 1.00 49.36 O ATOM 0 H GLU B 798 -11.463 11.184 20.207 1.00 28.75 H new ATOM 0 HA GLU B 798 -10.842 10.865 17.734 1.00 31.89 H new ATOM 0 HB2 GLU B 798 -10.607 9.186 19.412 1.00 34.44 H new ATOM 0 HB3 GLU B 798 -12.150 8.963 19.369 1.00 34.44 H new ATOM 0 HG2 GLU B 798 -12.057 8.036 17.294 1.00 45.72 H new ATOM 0 HG3 GLU B 798 -10.601 8.542 17.059 1.00 45.72 H new ATOM 2333 N PRO B 799 -12.847 10.987 16.236 1.00 34.60 N ATOM 2334 CA PRO B 799 -14.117 11.113 15.549 1.00 43.89 C ATOM 2335 C PRO B 799 -14.735 9.757 15.295 1.00 42.62 C ATOM 2336 O PRO B 799 -14.038 8.729 15.185 1.00 36.59 O ATOM 2337 CB PRO B 799 -13.750 11.803 14.218 1.00 45.25 C ATOM 2338 CG PRO B 799 -12.334 11.470 14.003 1.00 41.33 C ATOM 2339 CD PRO B 799 -11.714 11.315 15.366 1.00 39.72 C ATOM 0 HA PRO B 799 -14.771 11.611 16.065 1.00 43.89 H new ATOM 0 HB2 PRO B 799 -14.303 11.480 13.489 1.00 45.25 H new ATOM 0 HB3 PRO B 799 -13.882 12.763 14.270 1.00 45.25 H new ATOM 0 HG2 PRO B 799 -12.247 10.651 13.490 1.00 41.33 H new ATOM 0 HG3 PRO B 799 -11.888 12.169 13.499 1.00 41.33 H new ATOM 0 HD2 PRO B 799 -11.045 10.613 15.374 1.00 39.72 H new ATOM 0 HD3 PRO B 799 -11.272 12.131 15.650 1.00 39.72 H new ATOM 2340 N TYR B 800 -16.057 9.777 15.248 1.00 50.59 N ATOM 2341 CA TYR B 800 -16.812 8.645 14.768 1.00 59.92 C ATOM 2342 C TYR B 800 -17.085 8.845 13.255 1.00 63.04 C ATOM 2343 O TYR B 800 -17.571 9.922 12.814 1.00 63.02 O ATOM 2344 CB TYR B 800 -18.110 8.584 15.527 1.00 61.80 C ATOM 2345 CG TYR B 800 -18.939 7.440 15.090 1.00 78.25 C ATOM 2346 CD1 TYR B 800 -18.517 6.140 15.344 1.00 83.08 C ATOM 2347 CD2 TYR B 800 -20.148 7.639 14.400 1.00 90.90 C ATOM 2348 CE1 TYR B 800 -19.272 5.063 14.950 1.00 91.85 C ATOM 2349 CE2 TYR B 800 -20.911 6.559 13.990 1.00 96.78 C ATOM 2350 CZ TYR B 800 -20.464 5.273 14.270 1.00 98.78 C ATOM 2351 OH TYR B 800 -21.204 4.194 13.881 1.00112.71 O ATOM 0 H TYR B 800 -16.537 10.447 15.494 1.00 50.59 H new ATOM 0 HA TYR B 800 -16.323 7.817 14.900 1.00 59.92 H new ATOM 0 HB2 TYR B 800 -17.928 8.509 16.477 1.00 61.80 H new ATOM 0 HB3 TYR B 800 -18.602 9.410 15.397 1.00 61.80 H new ATOM 0 HD1 TYR B 800 -17.712 5.998 15.787 1.00 83.08 H new ATOM 0 HD2 TYR B 800 -20.438 8.504 14.217 1.00 90.90 H new ATOM 0 HE1 TYR B 800 -18.987 4.198 15.138 1.00 91.85 H new ATOM 0 HE2 TYR B 800 -21.711 6.692 13.534 1.00 96.78 H new ATOM 0 HH TYR B 800 -21.896 4.457 13.484 1.00112.71 H new ATOM 2352 N TYR B 801 -16.780 7.834 12.458 1.00 56.11 N ATOM 2353 CA TYR B 801 -17.080 7.925 11.039 1.00 59.53 C ATOM 2354 C TYR B 801 -18.169 6.878 10.598 1.00 66.03 C ATOM 2355 O TYR B 801 -19.399 7.119 10.772 1.00 59.37 O ATOM 2356 CB TYR B 801 -15.776 7.808 10.262 1.00 51.85 C ATOM 2357 CG TYR B 801 -14.842 8.957 10.402 1.00 44.16 C ATOM 2358 CD1 TYR B 801 -15.253 10.248 10.171 1.00 36.24 C ATOM 2359 CD2 TYR B 801 -13.507 8.742 10.724 1.00 49.37 C ATOM 2360 CE1 TYR B 801 -14.396 11.300 10.253 1.00 37.26 C ATOM 2361 CE2 TYR B 801 -12.618 9.811 10.808 1.00 43.86 C ATOM 2362 CZ TYR B 801 -13.090 11.072 10.570 1.00 35.92 C ATOM 2363 OH TYR B 801 -12.239 12.107 10.667 1.00 46.03 O ATOM 0 H TYR B 801 -16.407 7.101 12.710 1.00 56.11 H new ATOM 0 HA TYR B 801 -17.477 8.787 10.840 1.00 59.53 H new ATOM 0 HB2 TYR B 801 -15.318 7.002 10.549 1.00 51.85 H new ATOM 0 HB3 TYR B 801 -15.987 7.695 9.322 1.00 51.85 H new ATOM 0 HD1 TYR B 801 -16.143 10.406 9.952 1.00 36.24 H new ATOM 0 HD2 TYR B 801 -13.205 7.877 10.885 1.00 49.37 H new ATOM 0 HE1 TYR B 801 -14.697 12.165 10.095 1.00 37.26 H new ATOM 0 HE2 TYR B 801 -11.724 9.670 11.021 1.00 43.86 H new ATOM 0 HH TYR B 801 -12.571 12.697 11.165 1.00 46.03 H new ATOM 2364 N ASN B 802 -17.690 5.758 10.033 1.00 69.81 N ATOM 2365 CA ASN B 802 -18.461 4.598 9.580 1.00 73.60 C ATOM 2366 C ASN B 802 -18.042 3.454 10.533 1.00 84.08 C ATOM 2367 O ASN B 802 -16.981 2.859 10.320 1.00 93.26 O ATOM 2368 CB ASN B 802 -18.068 4.210 8.106 1.00 65.13 C ATOM 2369 CG ASN B 802 -18.028 5.410 7.116 1.00 48.35 C ATOM 2370 OD1 ASN B 802 -19.045 6.012 6.858 1.00 43.93 O ATOM 2371 ND2 ASN B 802 -16.863 5.707 6.526 1.00 42.34 N ATOM 0 H ASN B 802 -16.847 5.654 9.897 1.00 69.81 H new ATOM 0 HA ASN B 802 -19.415 4.775 9.590 1.00 73.60 H new ATOM 0 HB2 ASN B 802 -17.197 3.784 8.116 1.00 65.13 H new ATOM 0 HB3 ASN B 802 -18.701 3.553 7.776 1.00 65.13 H new ATOM 0 HD21 ASN B 802 -16.824 6.341 5.946 1.00 42.34 H new ATOM 0 HD22 ASN B 802 -16.154 5.264 6.727 1.00 42.34 H new ATOM 2372 N ARG B 803 -18.810 3.172 11.593 1.00105.36 N ATOM 2373 CA ARG B 803 -18.427 2.104 12.558 1.00117.78 C ATOM 2374 C ARG B 803 -18.745 0.714 12.013 1.00119.97 C ATOM 2375 O ARG B 803 -19.912 0.434 11.759 1.00122.27 O ATOM 2376 CB ARG B 803 -19.145 2.228 13.895 1.00115.43 C ATOM 0 H ARG B 803 -19.547 3.575 11.778 1.00105.36 H new ATOM 0 HA ARG B 803 -17.472 2.218 12.687 1.00117.78 H new ATOM 2377 N GLU B 804 -17.759 -0.173 11.837 1.00131.48 N ATOM 2378 CA GLU B 804 -16.318 0.094 11.992 1.00125.86 C ATOM 2379 C GLU B 804 -15.564 -0.559 10.824 1.00123.50 C ATOM 2380 O GLU B 804 -15.272 0.123 9.831 1.00129.00 O ATOM 2381 CB GLU B 804 -15.804 -0.371 13.368 1.00114.82 C ATOM 0 H GLU B 804 -17.918 -0.988 11.613 1.00131.48 H new ATOM 0 HA GLU B 804 -16.157 1.050 11.963 1.00125.86 H new ATOM 2382 N GLY B 805 -15.285 -1.864 10.914 1.00117.98 N ATOM 2383 CA GLY B 805 -14.388 -2.534 9.970 1.00112.66 C ATOM 2384 C GLY B 805 -13.104 -1.731 9.792 1.00121.89 C ATOM 2385 O GLY B 805 -12.607 -1.117 10.748 1.00130.51 O ATOM 0 H GLY B 805 -15.609 -2.381 11.520 1.00117.98 H new ATOM 0 HA2 GLY B 805 -14.177 -3.424 10.292 1.00112.66 H new ATOM 0 HA3 GLY B 805 -14.831 -2.640 9.114 1.00112.66 H new ATOM 2386 N SER B 806 -12.583 -1.720 8.563 1.00126.12 N ATOM 2387 CA SER B 806 -11.457 -0.858 8.171 1.00118.75 C ATOM 2388 C SER B 806 -11.906 0.412 7.389 1.00118.01 C ATOM 2389 O SER B 806 -11.063 1.064 6.759 1.00118.01 O ATOM 2390 CB SER B 806 -10.434 -1.671 7.352 1.00110.24 C ATOM 0 H SER B 806 -12.875 -2.217 7.925 1.00126.12 H new ATOM 0 HA SER B 806 -11.041 -0.541 8.988 1.00118.75 H new ATOM 2391 N GLN B 807 -13.193 0.798 7.473 1.00108.27 N ATOM 2392 CA GLN B 807 -13.741 1.942 6.691 1.00 98.42 C ATOM 2393 C GLN B 807 -13.447 3.363 7.274 1.00 76.98 C ATOM 2394 O GLN B 807 -14.051 4.348 6.840 1.00 65.23 O ATOM 2395 CB GLN B 807 -15.256 1.743 6.423 1.00 94.01 C ATOM 0 H GLN B 807 -13.772 0.412 7.978 1.00108.27 H new ATOM 0 HA GLN B 807 -13.254 1.927 5.852 1.00 98.42 H new ATOM 2396 N GLY B 808 -12.535 3.467 8.252 1.00 65.78 N ATOM 2397 CA GLY B 808 -11.934 4.753 8.641 1.00 57.64 C ATOM 2398 C GLY B 808 -10.864 5.280 7.661 1.00 50.79 C ATOM 2399 O GLY B 808 -10.381 4.572 6.746 1.00 48.04 O ATOM 0 H GLY B 808 -12.249 2.796 8.707 1.00 65.78 H new ATOM 0 HA2 GLY B 808 -12.638 5.415 8.721 1.00 57.64 H new ATOM 0 HA3 GLY B 808 -11.533 4.658 9.519 1.00 57.64 H new ATOM 2400 N PRO B 809 -10.470 6.540 7.844 1.00 44.17 N ATOM 2401 CA PRO B 809 -9.510 7.128 6.917 1.00 42.81 C ATOM 2402 C PRO B 809 -8.130 6.508 7.097 1.00 49.08 C ATOM 2403 O PRO B 809 -7.875 5.742 8.092 1.00 43.67 O ATOM 2404 CB PRO B 809 -9.454 8.611 7.344 1.00 38.09 C ATOM 2405 CG PRO B 809 -9.665 8.530 8.835 1.00 45.52 C ATOM 2406 CD PRO B 809 -10.673 7.394 9.040 1.00 47.48 C ATOM 0 HA PRO B 809 -9.765 6.993 5.991 1.00 42.81 H new ATOM 0 HB2 PRO B 809 -8.603 9.019 7.121 1.00 38.09 H new ATOM 0 HB3 PRO B 809 -10.143 9.138 6.910 1.00 38.09 H new ATOM 0 HG2 PRO B 809 -8.832 8.346 9.297 1.00 45.52 H new ATOM 0 HG3 PRO B 809 -10.005 9.368 9.186 1.00 45.52 H new ATOM 0 HD2 PRO B 809 -10.502 6.907 9.861 1.00 47.48 H new ATOM 0 HD3 PRO B 809 -11.583 7.727 9.092 1.00 47.48 H new ATOM 2407 N GLN B 810 -7.248 6.911 6.192 1.00 48.53 N ATOM 2408 CA GLN B 810 -5.924 6.346 6.124 1.00 59.22 C ATOM 2409 C GLN B 810 -5.226 6.565 7.462 1.00 54.28 C ATOM 2410 O GLN B 810 -4.713 5.603 8.059 1.00 57.12 O ATOM 2411 CB GLN B 810 -5.137 6.947 4.966 1.00 69.15 C ATOM 2412 CG GLN B 810 -3.860 6.177 4.644 1.00 82.72 C ATOM 2413 CD GLN B 810 -2.754 7.090 4.146 1.00 92.55 C ATOM 2414 OE1 GLN B 810 -2.149 7.847 4.922 1.00 93.95 O ATOM 2415 NE2 GLN B 810 -2.488 7.033 2.848 1.00 95.51 N ATOM 0 H GLN B 810 -7.406 7.519 5.604 1.00 48.53 H new ATOM 0 HA GLN B 810 -5.981 5.392 5.955 1.00 59.22 H new ATOM 0 HB2 GLN B 810 -5.701 6.971 4.177 1.00 69.15 H new ATOM 0 HB3 GLN B 810 -4.909 7.865 5.180 1.00 69.15 H new ATOM 0 HG2 GLN B 810 -3.558 5.708 5.437 1.00 82.72 H new ATOM 0 HG3 GLN B 810 -4.050 5.504 3.972 1.00 82.72 H new ATOM 0 HE21 GLN B 810 -2.929 6.495 2.342 1.00 95.51 H new ATOM 0 HE22 GLN B 810 -1.875 7.534 2.512 1.00 95.51 H new ATOM 2416 N LYS B 811 -5.236 7.795 7.966 1.00 37.78 N ATOM 2417 CA LYS B 811 -4.728 8.014 9.334 1.00 37.78 C ATOM 2418 C LYS B 811 -5.648 8.971 10.111 1.00 33.94 C ATOM 2419 O LYS B 811 -5.677 10.158 9.798 1.00 26.83 O ATOM 2420 CB LYS B 811 -3.329 8.593 9.262 1.00 39.93 C ATOM 2421 CG LYS B 811 -2.661 8.807 10.625 1.00 42.99 C ATOM 2422 CD LYS B 811 -1.279 9.386 10.358 1.00 46.15 C ATOM 2423 CE LYS B 811 -0.587 9.662 11.652 1.00 49.17 C ATOM 2424 NZ LYS B 811 0.704 10.367 11.437 1.00 54.78 N ATOM 0 H LYS B 811 -5.519 8.497 7.558 1.00 37.78 H new ATOM 0 HA LYS B 811 -4.709 7.164 9.800 1.00 37.78 H new ATOM 0 HB2 LYS B 811 -2.773 8.002 8.731 1.00 39.93 H new ATOM 0 HB3 LYS B 811 -3.366 9.443 8.795 1.00 39.93 H new ATOM 0 HG2 LYS B 811 -3.186 9.411 11.173 1.00 42.99 H new ATOM 0 HG3 LYS B 811 -2.594 7.969 11.110 1.00 42.99 H new ATOM 0 HD2 LYS B 811 -0.756 8.764 9.828 1.00 46.15 H new ATOM 0 HD3 LYS B 811 -1.356 10.204 9.842 1.00 46.15 H new ATOM 0 HE2 LYS B 811 -1.161 10.200 12.219 1.00 49.17 H new ATOM 0 HE3 LYS B 811 -0.428 8.827 12.120 1.00 49.17 H new ATOM 0 HZ1 LYS B 811 1.334 9.993 11.942 1.00 54.78 H new ATOM 0 HZ2 LYS B 811 0.936 10.307 10.580 1.00 54.78 H new ATOM 0 HZ3 LYS B 811 0.615 11.224 11.660 1.00 54.78 H new ATOM 2425 N PRO B 812 -6.399 8.450 11.073 1.00 32.20 N ATOM 2426 CA PRO B 812 -7.267 9.328 11.855 1.00 33.14 C ATOM 2427 C PRO B 812 -6.439 10.214 12.825 1.00 32.88 C ATOM 2428 O PRO B 812 -5.318 9.880 13.194 1.00 27.95 O ATOM 2429 CB PRO B 812 -8.199 8.341 12.596 1.00 38.46 C ATOM 2430 CG PRO B 812 -7.448 7.069 12.618 1.00 37.67 C ATOM 2431 CD PRO B 812 -6.625 7.030 11.379 1.00 35.04 C ATOM 0 HA PRO B 812 -7.765 9.962 11.315 1.00 33.14 H new ATOM 0 HB2 PRO B 812 -8.398 8.649 13.494 1.00 38.46 H new ATOM 0 HB3 PRO B 812 -9.047 8.243 12.136 1.00 38.46 H new ATOM 0 HG2 PRO B 812 -6.885 7.016 13.406 1.00 37.67 H new ATOM 0 HG3 PRO B 812 -8.054 6.313 12.651 1.00 37.67 H new ATOM 0 HD2 PRO B 812 -5.790 6.558 11.520 1.00 35.04 H new ATOM 0 HD3 PRO B 812 -7.088 6.578 10.656 1.00 35.04 H new ATOM 2432 N MET B 813 -6.917 11.416 13.088 1.00 26.00 N ATOM 2433 CA MET B 813 -6.184 12.360 13.909 1.00 24.98 C ATOM 2434 C MET B 813 -7.169 13.297 14.601 1.00 25.99 C ATOM 2435 O MET B 813 -8.265 13.554 14.057 1.00 22.85 O ATOM 2436 CB MET B 813 -5.212 13.128 13.068 1.00 24.46 C ATOM 2437 CG MET B 813 -4.175 13.965 13.817 1.00 23.83 C ATOM 2438 SD MET B 813 -3.224 13.054 15.084 1.00 27.01 S ATOM 2439 CE MET B 813 -2.526 11.776 14.001 1.00 31.68 C ATOM 0 H MET B 813 -7.672 11.708 12.798 1.00 26.00 H new ATOM 0 HA MET B 813 -5.680 11.882 14.586 1.00 24.98 H new ATOM 0 HB2 MET B 813 -4.741 12.500 12.498 1.00 24.46 H new ATOM 0 HB3 MET B 813 -5.715 13.718 12.485 1.00 24.46 H new ATOM 0 HG2 MET B 813 -3.554 14.340 13.173 1.00 23.83 H new ATOM 0 HG3 MET B 813 -4.626 14.710 14.243 1.00 23.83 H new ATOM 0 HE1 MET B 813 -1.665 11.493 14.347 1.00 31.68 H new ATOM 0 HE2 MET B 813 -3.127 11.015 13.969 1.00 31.68 H new ATOM 0 HE3 MET B 813 -2.413 12.136 13.107 1.00 31.68 H new ATOM 2440 N TRP B 814 -6.818 13.683 15.828 1.00 23.09 N ATOM 2441 CA TRP B 814 -7.646 14.541 16.674 1.00 23.12 C ATOM 2442 C TRP B 814 -6.764 15.339 17.638 1.00 22.39 C ATOM 2443 O TRP B 814 -5.602 14.995 17.803 1.00 19.96 O ATOM 2444 CB TRP B 814 -8.757 13.741 17.334 1.00 24.56 C ATOM 2445 CG TRP B 814 -8.389 12.664 18.147 1.00 24.97 C ATOM 2446 CD1 TRP B 814 -8.213 12.728 19.462 1.00 27.79 C ATOM 2447 CD2 TRP B 814 -8.087 11.326 17.748 1.00 26.35 C ATOM 2448 NE1 TRP B 814 -7.865 11.517 19.940 1.00 28.85 N ATOM 2449 CE2 TRP B 814 -7.807 10.624 18.908 1.00 26.71 C ATOM 2450 CE3 TRP B 814 -8.110 10.632 16.513 1.00 29.01 C ATOM 2451 CZ2 TRP B 814 -7.448 9.256 18.919 1.00 29.94 C ATOM 2452 CZ3 TRP B 814 -7.784 9.268 16.493 1.00 31.16 C ATOM 2453 CH2 TRP B 814 -7.463 8.586 17.698 1.00 33.85 C ATOM 0 H TRP B 814 -6.078 13.449 16.198 1.00 23.09 H new ATOM 0 HA TRP B 814 -8.105 15.202 16.132 1.00 23.12 H new ATOM 0 HB2 TRP B 814 -9.287 14.352 17.870 1.00 24.56 H new ATOM 0 HB3 TRP B 814 -9.337 13.402 16.634 1.00 24.56 H new ATOM 0 HD1 TRP B 814 -8.315 13.496 19.977 1.00 27.79 H new ATOM 0 HE1 TRP B 814 -7.705 11.335 20.765 1.00 28.85 H new ATOM 0 HE3 TRP B 814 -8.338 11.074 15.727 1.00 29.01 H new ATOM 0 HZ2 TRP B 814 -7.212 8.823 19.707 1.00 29.94 H new ATOM 0 HZ3 TRP B 814 -7.778 8.807 15.686 1.00 31.16 H new ATOM 0 HH2 TRP B 814 -7.260 7.679 17.671 1.00 33.85 H new ATOM 2454 N LEU B 815 -7.249 16.499 18.128 1.00 17.69 N ATOM 2455 CA LEU B 815 -6.430 17.338 18.892 1.00 19.62 C ATOM 2456 C LEU B 815 -5.839 16.655 20.149 1.00 19.52 C ATOM 2457 O LEU B 815 -4.664 16.816 20.412 1.00 17.86 O ATOM 2458 CB LEU B 815 -7.095 18.630 19.298 1.00 20.32 C ATOM 2459 CG LEU B 815 -7.507 19.467 18.096 1.00 20.37 C ATOM 2460 CD1 LEU B 815 -8.388 20.604 18.555 1.00 21.69 C ATOM 2461 CD2 LEU B 815 -6.352 20.100 17.343 1.00 20.74 C ATOM 0 H LEU B 815 -8.052 16.783 18.009 1.00 17.69 H new ATOM 0 HA LEU B 815 -5.701 17.547 18.287 1.00 19.62 H new ATOM 0 HB2 LEU B 815 -7.877 18.434 19.837 1.00 20.32 H new ATOM 0 HB3 LEU B 815 -6.489 19.143 19.855 1.00 20.32 H new ATOM 0 HG LEU B 815 -7.955 18.848 17.499 1.00 20.37 H new ATOM 0 HD11 LEU B 815 -8.652 21.139 17.790 1.00 21.69 H new ATOM 0 HD12 LEU B 815 -9.179 20.246 18.987 1.00 21.69 H new ATOM 0 HD13 LEU B 815 -7.900 21.159 19.184 1.00 21.69 H new ATOM 0 HD21 LEU B 815 -6.696 20.614 16.595 1.00 20.74 H new ATOM 0 HD22 LEU B 815 -5.860 20.686 17.939 1.00 20.74 H new ATOM 0 HD23 LEU B 815 -5.761 19.405 17.013 1.00 20.74 H new ATOM 2462 N ASN B 816 -6.607 15.872 20.860 1.00 20.18 N ATOM 2463 CA ASN B 816 -6.112 15.208 22.055 1.00 20.27 C ATOM 2464 C ASN B 816 -4.966 14.218 21.758 1.00 22.07 C ATOM 2465 O ASN B 816 -4.093 14.057 22.604 1.00 23.55 O ATOM 2466 CB ASN B 816 -7.239 14.507 22.783 1.00 20.32 C ATOM 2467 CG ASN B 816 -8.201 15.494 23.467 1.00 21.69 C ATOM 2468 OD1 ASN B 816 -7.984 16.701 23.559 1.00 22.04 O ATOM 2469 ND2 ASN B 816 -9.293 14.953 23.929 1.00 22.28 N ATOM 0 H ASN B 816 -7.429 15.704 20.673 1.00 20.18 H new ATOM 0 HA ASN B 816 -5.746 15.901 22.626 1.00 20.27 H new ATOM 0 HB2 ASN B 816 -7.735 13.959 22.155 1.00 20.32 H new ATOM 0 HB3 ASN B 816 -6.867 13.908 23.449 1.00 20.32 H new ATOM 0 HD21 ASN B 816 -9.887 15.443 24.312 1.00 22.28 H new ATOM 0 HD22 ASN B 816 -9.419 14.106 23.851 1.00 22.28 H new ATOM 2470 N LYS B 817 -4.934 13.659 20.547 1.00 23.78 N ATOM 2471 CA LYS B 817 -3.868 12.773 20.114 1.00 23.62 C ATOM 2472 C LYS B 817 -2.601 13.587 19.832 1.00 22.83 C ATOM 2473 O LYS B 817 -1.495 13.170 20.185 1.00 21.98 O ATOM 2474 CB LYS B 817 -4.328 11.956 18.922 1.00 25.78 C ATOM 2475 CG LYS B 817 -3.302 11.022 18.371 1.00 28.32 C ATOM 2476 CD LYS B 817 -3.881 10.059 17.352 1.00 34.62 C ATOM 2477 CE LYS B 817 -2.752 9.161 16.875 1.00 47.28 C ATOM 2478 NZ LYS B 817 -3.144 8.365 15.668 1.00 63.95 N ATOM 0 H LYS B 817 -5.541 13.789 19.951 1.00 23.78 H new ATOM 0 HA LYS B 817 -3.648 12.142 20.817 1.00 23.62 H new ATOM 0 HB2 LYS B 817 -5.110 11.443 19.180 1.00 25.78 H new ATOM 0 HB3 LYS B 817 -4.607 12.562 18.218 1.00 25.78 H new ATOM 0 HG2 LYS B 817 -2.590 11.535 17.958 1.00 28.32 H new ATOM 0 HG3 LYS B 817 -2.904 10.518 19.098 1.00 28.32 H new ATOM 0 HD2 LYS B 817 -4.592 9.531 17.748 1.00 34.62 H new ATOM 0 HD3 LYS B 817 -4.269 10.544 16.607 1.00 34.62 H new ATOM 0 HE2 LYS B 817 -1.975 9.702 16.667 1.00 47.28 H new ATOM 0 HE3 LYS B 817 -2.494 8.558 17.590 1.00 47.28 H new ATOM 0 HZ1 LYS B 817 -2.462 7.852 15.416 1.00 63.95 H new ATOM 0 HZ2 LYS B 817 -3.844 7.852 15.865 1.00 63.95 H new ATOM 0 HZ3 LYS B 817 -3.359 8.918 15.005 1.00 63.95 H new ATOM 2479 N VAL B 818 -2.739 14.715 19.149 1.00 21.82 N ATOM 2480 CA VAL B 818 -1.648 15.653 18.979 1.00 21.15 C ATOM 2481 C VAL B 818 -1.146 16.092 20.328 1.00 21.31 C ATOM 2482 O VAL B 818 0.087 16.129 20.532 1.00 21.42 O ATOM 2483 CB VAL B 818 -1.963 16.878 18.085 1.00 21.26 C ATOM 2484 CG1 VAL B 818 -0.761 17.821 17.982 1.00 22.88 C ATOM 2485 CG2 VAL B 818 -2.385 16.400 16.705 1.00 21.17 C ATOM 0 H VAL B 818 -3.473 14.956 18.771 1.00 21.82 H new ATOM 0 HA VAL B 818 -0.959 15.171 18.496 1.00 21.15 H new ATOM 0 HB VAL B 818 -2.688 17.378 18.491 1.00 21.26 H new ATOM 0 HG11 VAL B 818 -0.989 18.576 17.417 1.00 22.88 H new ATOM 0 HG12 VAL B 818 -0.523 18.140 18.867 1.00 22.88 H new ATOM 0 HG13 VAL B 818 -0.008 17.345 17.597 1.00 22.88 H new ATOM 0 HG21 VAL B 818 -2.583 17.166 16.144 1.00 21.17 H new ATOM 0 HG22 VAL B 818 -1.666 15.885 16.307 1.00 21.17 H new ATOM 0 HG23 VAL B 818 -3.176 15.844 16.783 1.00 21.17 H new ATOM 2486 N LYS B 819 -2.024 16.425 21.269 1.00 19.91 N ATOM 2487 CA LYS B 819 -1.522 16.841 22.611 1.00 22.11 C ATOM 2488 C LYS B 819 -0.631 15.748 23.311 1.00 19.47 C ATOM 2489 O LYS B 819 0.451 16.025 23.811 1.00 18.07 O ATOM 2490 CB LYS B 819 -2.709 17.200 23.514 1.00 22.10 C ATOM 2491 CG LYS B 819 -2.333 17.648 24.904 1.00 24.77 C ATOM 2492 CD LYS B 819 -3.510 17.898 25.816 1.00 26.03 C ATOM 2493 CE LYS B 819 -4.023 19.275 25.667 1.00 31.45 C ATOM 2494 NZ LYS B 819 -4.979 19.652 26.766 1.00 36.97 N ATOM 0 H LYS B 819 -2.879 16.423 21.175 1.00 19.91 H new ATOM 0 HA LYS B 819 -0.953 17.614 22.471 1.00 22.11 H new ATOM 0 HB2 LYS B 819 -3.222 17.905 23.088 1.00 22.10 H new ATOM 0 HB3 LYS B 819 -3.292 16.428 23.583 1.00 22.10 H new ATOM 0 HG2 LYS B 819 -1.763 16.974 25.306 1.00 24.77 H new ATOM 0 HG3 LYS B 819 -1.809 18.462 24.839 1.00 24.77 H new ATOM 0 HD2 LYS B 819 -4.217 17.264 25.616 1.00 26.03 H new ATOM 0 HD3 LYS B 819 -3.246 17.747 26.737 1.00 26.03 H new ATOM 0 HE2 LYS B 819 -3.278 19.896 25.662 1.00 31.45 H new ATOM 0 HE3 LYS B 819 -4.469 19.360 24.810 1.00 31.45 H new ATOM 0 HZ1 LYS B 819 -5.341 20.445 26.586 1.00 36.97 H new ATOM 0 HZ2 LYS B 819 -5.622 19.039 26.824 1.00 36.97 H new ATOM 0 HZ3 LYS B 819 -4.541 19.695 27.539 1.00 36.97 H new ATOM 2495 N THR B 820 -1.109 14.522 23.283 1.00 20.14 N ATOM 2496 CA THR B 820 -0.342 13.362 23.828 1.00 22.02 C ATOM 2497 C THR B 820 0.943 13.173 23.090 1.00 20.82 C ATOM 2498 O THR B 820 1.990 12.910 23.717 1.00 22.73 O ATOM 2499 CB THR B 820 -1.227 12.108 23.666 1.00 25.16 C ATOM 2500 OG1 THR B 820 -2.326 12.283 24.541 1.00 28.29 O ATOM 2501 CG2 THR B 820 -0.490 10.813 24.096 1.00 36.80 C ATOM 0 H THR B 820 -1.877 14.315 22.956 1.00 20.14 H new ATOM 0 HA THR B 820 -0.123 13.519 24.760 1.00 22.02 H new ATOM 0 HB THR B 820 -1.481 12.014 22.734 1.00 25.16 H new ATOM 0 HG1 THR B 820 -2.945 12.683 24.138 1.00 28.29 H new ATOM 0 HG21 THR B 820 -1.079 10.051 23.979 1.00 36.80 H new ATOM 0 HG22 THR B 820 0.303 10.695 23.550 1.00 36.80 H new ATOM 0 HG23 THR B 820 -0.232 10.882 25.029 1.00 36.80 H new ATOM 2502 N SER B 821 0.938 13.301 21.763 1.00 18.75 N ATOM 2503 CA SER B 821 2.163 13.091 20.996 1.00 20.85 C ATOM 2504 C SER B 821 3.239 14.111 21.313 1.00 25.38 C ATOM 2505 O SER B 821 4.467 13.776 21.499 1.00 23.81 O ATOM 2506 CB SER B 821 1.922 13.071 19.482 1.00 21.03 C ATOM 2507 OG SER B 821 1.043 12.012 19.167 1.00 22.64 O ATOM 0 H SER B 821 0.246 13.506 21.295 1.00 18.75 H new ATOM 0 HA SER B 821 2.475 12.215 21.272 1.00 20.85 H new ATOM 0 HB2 SER B 821 1.545 13.916 19.192 1.00 21.03 H new ATOM 0 HB3 SER B 821 2.763 12.959 19.011 1.00 21.03 H new ATOM 0 HG SER B 821 0.262 12.218 19.398 1.00 22.64 H new ATOM 2508 N LEU B 822 2.810 15.345 21.453 1.00 22.31 N ATOM 2509 CA LEU B 822 3.715 16.416 21.925 1.00 22.32 C ATOM 2510 C LEU B 822 4.254 16.200 23.315 1.00 22.01 C ATOM 2511 O LEU B 822 5.406 16.407 23.557 1.00 26.06 O ATOM 2512 CB LEU B 822 2.973 17.759 21.971 1.00 23.82 C ATOM 2513 CG LEU B 822 3.043 18.787 20.913 1.00 28.33 C ATOM 2514 CD1 LEU B 822 2.254 20.028 21.315 1.00 26.23 C ATOM 2515 CD2 LEU B 822 4.518 19.117 20.591 1.00 23.78 C ATOM 0 H LEU B 822 2.006 15.601 21.286 1.00 22.31 H new ATOM 0 HA LEU B 822 4.451 16.408 21.293 1.00 22.32 H new ATOM 0 HB2 LEU B 822 2.033 17.544 22.075 1.00 23.82 H new ATOM 0 HB3 LEU B 822 3.257 18.195 22.790 1.00 23.82 H new ATOM 0 HG LEU B 822 2.635 18.440 20.104 1.00 28.33 H new ATOM 0 HD11 LEU B 822 2.311 20.691 20.609 1.00 26.23 H new ATOM 0 HD12 LEU B 822 1.325 19.789 21.458 1.00 26.23 H new ATOM 0 HD13 LEU B 822 2.623 20.395 22.134 1.00 26.23 H new ATOM 0 HD21 LEU B 822 4.554 19.792 19.896 1.00 23.78 H new ATOM 0 HD22 LEU B 822 4.957 19.451 21.389 1.00 23.78 H new ATOM 0 HD23 LEU B 822 4.970 18.315 20.286 1.00 23.78 H new ATOM 2516 N ASN B 823 3.396 15.858 24.265 1.00 24.00 N ATOM 2517 CA ASN B 823 3.772 15.512 25.643 1.00 27.37 C ATOM 2518 C ASN B 823 4.790 14.344 25.696 1.00 27.87 C ATOM 2519 O ASN B 823 5.703 14.376 26.475 1.00 29.22 O ATOM 2520 CB ASN B 823 2.535 15.184 26.440 1.00 30.30 C ATOM 2521 CG ASN B 823 2.820 14.806 27.895 1.00 35.38 C ATOM 2522 OD1 ASN B 823 2.508 13.710 28.343 1.00 42.47 O ATOM 2523 ND2 ASN B 823 3.327 15.708 28.619 1.00 32.36 N ATOM 0 H ASN B 823 2.548 15.817 24.128 1.00 24.00 H new ATOM 0 HA ASN B 823 4.212 16.282 26.036 1.00 27.37 H new ATOM 0 HB2 ASN B 823 1.938 15.948 26.424 1.00 30.30 H new ATOM 0 HB3 ASN B 823 2.068 14.451 26.010 1.00 30.30 H new ATOM 0 HD21 ASN B 823 3.463 15.562 29.455 1.00 32.36 H new ATOM 0 HD22 ASN B 823 3.536 16.468 28.276 1.00 32.36 H new ATOM 2524 N GLU B 824 4.641 13.395 24.799 1.00 25.34 N ATOM 2525 CA GLU B 824 5.464 12.213 24.726 1.00 28.58 C ATOM 2526 C GLU B 824 6.712 12.447 23.902 1.00 28.01 C ATOM 2527 O GLU B 824 7.439 11.514 23.657 1.00 30.87 O ATOM 2528 CB GLU B 824 4.637 11.015 24.255 1.00 29.66 C ATOM 2529 CG GLU B 824 3.709 10.671 25.409 1.00 38.64 C ATOM 2530 CD GLU B 824 2.677 9.566 25.198 1.00 52.27 C ATOM 2531 OE1 GLU B 824 2.697 8.879 24.167 1.00 66.48 O ATOM 2532 OE2 GLU B 824 1.828 9.379 26.121 1.00 63.88 O ATOM 0 H GLU B 824 4.033 13.423 24.191 1.00 25.34 H new ATOM 0 HA GLU B 824 5.783 12.000 25.617 1.00 28.58 H new ATOM 0 HB2 GLU B 824 4.132 11.233 23.456 1.00 29.66 H new ATOM 0 HB3 GLU B 824 5.209 10.264 24.033 1.00 29.66 H new ATOM 0 HG2 GLU B 824 4.259 10.422 26.168 1.00 38.64 H new ATOM 0 HG3 GLU B 824 3.232 11.479 25.657 1.00 38.64 H new ATOM 2533 N GLN B 825 6.918 13.672 23.417 1.00 26.88 N ATOM 2534 CA GLN B 825 8.026 13.981 22.529 1.00 28.33 C ATOM 2535 C GLN B 825 8.136 13.111 21.277 1.00 29.73 C ATOM 2536 O GLN B 825 9.219 12.693 20.887 1.00 30.02 O ATOM 2537 CB GLN B 825 9.323 14.019 23.352 1.00 36.15 C ATOM 2538 CG GLN B 825 9.200 15.008 24.550 1.00 40.78 C ATOM 2539 CD GLN B 825 10.238 14.773 25.646 1.00 44.20 C ATOM 2540 OE1 GLN B 825 10.363 13.660 26.172 1.00 43.08 O ATOM 2541 NE2 GLN B 825 11.011 15.807 25.967 1.00 33.42 N ATOM 0 H GLN B 825 6.415 14.346 23.597 1.00 26.88 H new ATOM 0 HA GLN B 825 7.848 14.856 22.150 1.00 28.33 H new ATOM 0 HB2 GLN B 825 9.526 13.130 23.683 1.00 36.15 H new ATOM 0 HB3 GLN B 825 10.062 14.286 22.784 1.00 36.15 H new ATOM 0 HG2 GLN B 825 9.289 15.916 24.220 1.00 40.78 H new ATOM 0 HG3 GLN B 825 8.312 14.931 24.934 1.00 40.78 H new ATOM 0 HE21 GLN B 825 10.896 16.567 25.581 1.00 33.42 H new ATOM 0 HE22 GLN B 825 11.626 15.716 26.561 1.00 33.42 H new ATOM 2542 N MET B 826 7.002 12.834 20.631 1.00 27.60 N ATOM 2543 CA AMET B 826 6.967 12.010 19.433 0.59 28.09 C ATOM 2544 CA BMET B 826 6.958 12.007 19.429 0.41 28.80 C ATOM 2545 C MET B 826 7.359 12.786 18.181 1.00 28.74 C ATOM 2546 O MET B 826 7.645 12.208 17.161 1.00 36.90 O ATOM 2547 CB AMET B 826 5.596 11.391 19.273 0.59 29.88 C ATOM 2548 CB BMET B 826 5.577 11.386 19.265 0.41 30.97 C ATOM 2549 CG AMET B 826 5.175 10.487 20.416 0.59 33.38 C ATOM 2550 CG BMET B 826 5.236 10.430 20.387 0.41 34.33 C ATOM 2551 SD AMET B 826 6.263 9.039 20.631 0.59 40.63 S ATOM 2552 SD BMET B 826 3.653 9.565 20.348 0.41 40.27 S ATOM 2553 CE AMET B 826 5.896 8.110 19.139 0.59 38.65 C ATOM 2554 CE BMET B 826 3.438 8.982 18.669 0.41 36.82 C ATOM 0 H AMET B 826 6.231 13.122 20.880 0.59 27.60 H new ATOM 0 H BMET B 826 6.232 13.124 20.882 0.41 27.60 H new ATOM 0 HA AMET B 826 7.626 11.307 19.542 0.59 28.80 H new ATOM 0 HA BMET B 826 7.609 11.296 19.538 0.41 28.80 H new ATOM 0 HB2AMET B 826 4.942 12.101 19.180 0.59 30.97 H new ATOM 0 HB2BMET B 826 4.911 12.090 19.230 0.41 30.97 H new ATOM 0 HB3AMET B 826 5.579 10.880 18.449 0.59 30.97 H new ATOM 0 HB3BMET B 826 5.536 10.914 18.418 0.41 30.97 H new ATOM 0 HG2AMET B 826 5.164 11.000 21.239 0.59 34.33 H new ATOM 0 HG2BMET B 826 5.936 9.759 20.423 0.41 34.33 H new ATOM 0 HG3AMET B 826 4.268 10.181 20.261 0.59 34.33 H new ATOM 0 HG3BMET B 826 5.277 10.928 21.219 0.41 34.33 H new ATOM 0 HE1AMET B 826 6.269 7.218 19.213 0.59 36.82 H new ATOM 0 HE1BMET B 826 2.595 8.507 18.597 0.41 36.82 H new ATOM 0 HE2AMET B 826 4.935 8.049 19.024 0.59 36.82 H new ATOM 0 HE2BMET B 826 3.436 9.738 18.061 0.41 36.82 H new ATOM 0 HE3AMET B 826 6.285 8.560 18.373 0.59 36.82 H new ATOM 0 HE3BMET B 826 4.166 8.384 18.438 0.41 36.82 H new ATOM 2555 N TYR B 827 7.394 14.109 18.247 1.00 26.55 N ATOM 2556 CA TYR B 827 7.769 14.910 17.092 1.00 22.05 C ATOM 2557 C TYR B 827 9.226 15.310 17.170 1.00 24.29 C ATOM 2558 O TYR B 827 9.670 15.861 18.204 1.00 27.88 O ATOM 2559 CB TYR B 827 6.858 16.171 16.989 1.00 24.37 C ATOM 2560 CG TYR B 827 5.410 15.835 16.881 1.00 21.57 C ATOM 2561 CD1 TYR B 827 4.923 15.087 15.849 1.00 21.80 C ATOM 2562 CD2 TYR B 827 4.514 16.286 17.825 1.00 24.43 C ATOM 2563 CE1 TYR B 827 3.554 14.785 15.725 1.00 22.02 C ATOM 2564 CE2 TYR B 827 3.178 15.978 17.743 1.00 22.18 C ATOM 2565 CZ TYR B 827 2.698 15.279 16.678 1.00 19.88 C ATOM 2566 OH TYR B 827 1.377 14.965 16.623 1.00 22.68 O ATOM 0 H TYR B 827 7.204 14.563 18.952 1.00 26.55 H new ATOM 0 HA TYR B 827 7.645 14.374 16.293 1.00 22.05 H new ATOM 0 HB2 TYR B 827 6.998 16.730 17.769 1.00 24.37 H new ATOM 0 HB3 TYR B 827 7.123 16.693 16.215 1.00 24.37 H new ATOM 0 HD1 TYR B 827 5.515 14.766 15.207 1.00 21.80 H new ATOM 0 HD2 TYR B 827 4.819 16.809 18.531 1.00 24.43 H new ATOM 0 HE1 TYR B 827 3.239 14.267 15.020 1.00 22.02 H new ATOM 0 HE2 TYR B 827 2.599 16.248 18.418 1.00 22.18 H new ATOM 0 HH TYR B 827 1.206 14.599 15.887 1.00 22.68 H new ATOM 2567 N THR B 828 10.013 14.987 16.112 1.00 21.52 N ATOM 2568 CA THR B 828 11.444 15.468 16.046 1.00 25.15 C ATOM 2569 C THR B 828 11.650 16.782 15.429 1.00 22.10 C ATOM 2570 O THR B 828 12.613 17.467 15.720 1.00 20.66 O ATOM 2571 CB THR B 828 12.418 14.435 15.408 1.00 25.81 C ATOM 2572 OG1 THR B 828 11.938 14.033 14.136 1.00 27.85 O ATOM 2573 CG2 THR B 828 12.427 13.213 16.266 1.00 27.25 C ATOM 0 H THR B 828 9.759 14.510 15.443 1.00 21.52 H new ATOM 0 HA THR B 828 11.660 15.570 16.986 1.00 25.15 H new ATOM 0 HB THR B 828 13.297 14.837 15.328 1.00 25.81 H new ATOM 0 HG1 THR B 828 12.470 13.477 13.798 1.00 27.85 H new ATOM 0 HG21 THR B 828 13.029 12.555 15.885 1.00 27.25 H new ATOM 0 HG22 THR B 828 12.726 13.446 17.159 1.00 27.25 H new ATOM 0 HG23 THR B 828 11.532 12.843 16.312 1.00 27.25 H new ATOM 2574 N ARG B 829 10.748 17.113 14.514 1.00 23.59 N ATOM 2575 CA AARG B 829 10.773 18.335 13.759 0.49 23.63 C ATOM 2576 CA BARG B 829 10.792 18.364 13.820 0.51 24.47 C ATOM 2577 C ARG B 829 9.365 19.037 13.821 1.00 21.81 C ATOM 2578 O ARG B 829 8.347 18.386 13.939 1.00 23.19 O ATOM 2579 CB AARG B 829 11.136 17.982 12.296 0.49 25.32 C ATOM 2580 CB BARG B 829 11.317 18.103 12.394 0.51 28.42 C ATOM 2581 CG AARG B 829 12.619 17.565 12.134 0.49 25.76 C ATOM 2582 CG BARG B 829 12.821 17.719 12.366 0.51 29.24 C ATOM 2583 CD AARG B 829 13.008 17.146 10.713 0.49 27.66 C ATOM 2584 CD BARG B 829 13.375 17.550 10.959 0.51 33.83 C ATOM 2585 NE AARG B 829 14.418 16.741 10.751 0.49 30.18 N ATOM 2586 NE BARG B 829 14.708 16.925 11.026 0.51 36.68 N ATOM 2587 CZ AARG B 829 14.831 15.552 11.198 0.49 26.34 C ATOM 2588 CZ BARG B 829 15.878 17.538 10.931 0.51 33.40 C ATOM 2589 NH1AARG B 829 13.958 14.594 11.582 0.49 22.11 N ATOM 2590 NH1BARG B 829 16.983 16.809 11.033 0.51 36.46 N ATOM 2591 NH2AARG B 829 16.129 15.323 11.234 0.49 27.80 N ATOM 2592 NH2BARG B 829 15.974 18.836 10.692 0.51 31.44 N ATOM 0 H AARG B 829 10.082 16.606 14.315 0.49 23.59 H new ATOM 0 H BARG B 829 10.092 16.606 14.285 0.51 23.59 H new ATOM 0 HA AARG B 829 11.429 18.948 14.127 0.49 24.47 H new ATOM 0 HA BARG B 829 11.391 18.985 14.263 0.51 24.47 H new ATOM 0 HB2AARG B 829 10.565 17.260 11.990 0.49 28.42 H new ATOM 0 HB2BARG B 829 10.798 17.391 11.988 0.51 28.42 H new ATOM 0 HB3AARG B 829 10.955 18.747 11.728 0.49 28.42 H new ATOM 0 HB3BARG B 829 11.180 18.897 11.853 0.51 28.42 H new ATOM 0 HG2AARG B 829 13.183 18.305 12.407 0.49 29.24 H new ATOM 0 HG2BARG B 829 13.331 18.403 12.827 0.51 29.24 H new ATOM 0 HG3AARG B 829 12.804 16.829 12.738 0.49 29.24 H new ATOM 0 HG3BARG B 829 12.946 16.892 12.857 0.51 29.24 H new ATOM 0 HD2AARG B 829 12.450 16.414 10.407 0.49 33.83 H new ATOM 0 HD2BARG B 829 12.776 17.001 10.429 0.51 33.83 H new ATOM 0 HD3AARG B 829 12.879 17.880 10.092 0.49 33.83 H new ATOM 0 HD3BARG B 829 13.433 18.412 10.518 0.51 33.83 H new ATOM 0 HE AARG B 829 15.010 17.299 10.471 0.49 36.68 H new ATOM 0 HE BARG B 829 14.728 16.073 11.139 0.51 36.68 H new ATOM 0 HH11AARG B 829 13.112 14.742 11.542 0.49 36.46 H new ATOM 0 HH11BARG B 829 16.928 15.960 11.158 0.51 36.46 H new ATOM 0 HH12AARG B 829 14.249 13.836 11.866 0.49 36.46 H new ATOM 0 HH12BARG B 829 17.754 17.186 10.974 0.51 36.46 H new ATOM 0 HH21AARG B 829 16.680 15.930 10.974 0.49 31.44 H new ATOM 0 HH21BARG B 829 15.262 19.309 10.593 0.51 31.44 H new ATOM 0 HH22AARG B 829 16.424 14.567 11.517 0.49 31.44 H new ATOM 0 HH22BARG B 829 16.748 19.207 10.636 0.51 31.44 H new ATOM 2593 N VAL B 830 9.357 20.341 13.670 1.00 22.90 N ATOM 2594 CA VAL B 830 8.076 21.171 13.608 1.00 23.32 C ATOM 2595 C VAL B 830 7.162 20.556 12.549 1.00 25.32 C ATOM 2596 O VAL B 830 5.980 20.340 12.801 1.00 21.98 O ATOM 2597 CB VAL B 830 8.400 22.631 13.318 1.00 23.06 C ATOM 2598 CG1 VAL B 830 7.125 23.377 12.891 1.00 25.19 C ATOM 2599 CG2 VAL B 830 9.081 23.287 14.491 1.00 23.01 C ATOM 0 H VAL B 830 10.075 20.809 13.597 1.00 22.90 H new ATOM 0 HA VAL B 830 7.617 21.158 14.462 1.00 23.32 H new ATOM 0 HB VAL B 830 9.029 22.671 12.581 1.00 23.06 H new ATOM 0 HG11 VAL B 830 7.339 24.305 12.708 1.00 25.19 H new ATOM 0 HG12 VAL B 830 6.762 22.966 12.091 1.00 25.19 H new ATOM 0 HG13 VAL B 830 6.469 23.331 13.604 1.00 25.19 H new ATOM 0 HG21 VAL B 830 9.274 24.213 14.277 1.00 23.01 H new ATOM 0 HG22 VAL B 830 8.499 23.249 15.266 1.00 23.01 H new ATOM 0 HG23 VAL B 830 9.909 22.821 14.686 1.00 23.01 H new ATOM 2600 N GLU B 831 7.749 20.115 11.419 1.00 24.11 N ATOM 2601 CA GLU B 831 7.020 19.414 10.369 1.00 31.06 C ATOM 2602 C GLU B 831 6.088 18.330 10.851 1.00 28.01 C ATOM 2603 O GLU B 831 4.970 18.197 10.360 1.00 26.31 O ATOM 2604 CB GLU B 831 8.018 18.820 9.371 1.00 38.66 C ATOM 2605 CG GLU B 831 7.485 17.993 8.231 1.00 48.32 C ATOM 2606 CD GLU B 831 8.627 17.227 7.528 1.00 61.43 C ATOM 2607 OE1 GLU B 831 9.354 16.426 8.189 1.00 69.59 O ATOM 2608 OE2 GLU B 831 8.814 17.453 6.313 1.00 68.61 O ATOM 0 H GLU B 831 8.586 20.220 11.250 1.00 24.11 H new ATOM 0 HA GLU B 831 6.450 20.081 9.955 1.00 31.06 H new ATOM 0 HB2 GLU B 831 8.528 19.553 8.991 1.00 38.66 H new ATOM 0 HB3 GLU B 831 8.642 18.269 9.869 1.00 38.66 H new ATOM 0 HG2 GLU B 831 6.825 17.365 8.563 1.00 48.32 H new ATOM 0 HG3 GLU B 831 7.034 18.567 7.592 1.00 48.32 H new ATOM 2609 N GLY B 832 6.539 17.475 11.765 1.00 25.74 N ATOM 2610 CA GLY B 832 5.681 16.361 12.157 1.00 22.75 C ATOM 2611 C GLY B 832 4.423 16.863 12.901 1.00 21.67 C ATOM 2612 O GLY B 832 3.364 16.287 12.789 1.00 23.89 O ATOM 0 H GLY B 832 7.304 17.517 12.156 1.00 25.74 H new ATOM 0 HA2 GLY B 832 5.416 15.860 11.370 1.00 22.75 H new ATOM 0 HA3 GLY B 832 6.176 15.752 12.727 1.00 22.75 H new ATOM 2613 N PHE B 833 4.571 17.910 13.698 1.00 23.43 N ATOM 2614 CA PHE B 833 3.410 18.474 14.471 1.00 21.46 C ATOM 2615 C PHE B 833 2.468 19.152 13.449 1.00 20.85 C ATOM 2616 O PHE B 833 1.281 18.936 13.460 1.00 20.87 O ATOM 2617 CB PHE B 833 3.915 19.438 15.530 1.00 22.47 C ATOM 2618 CG PHE B 833 2.891 20.370 16.052 1.00 22.14 C ATOM 2619 CD1 PHE B 833 2.067 19.973 17.052 1.00 24.95 C ATOM 2620 CD2 PHE B 833 2.780 21.672 15.550 1.00 25.45 C ATOM 2621 CE1 PHE B 833 1.068 20.845 17.578 1.00 28.25 C ATOM 2622 CE2 PHE B 833 1.833 22.576 16.096 1.00 28.08 C ATOM 2623 CZ PHE B 833 0.977 22.132 17.117 1.00 26.03 C ATOM 0 H PHE B 833 5.316 18.321 13.821 1.00 23.43 H new ATOM 0 HA PHE B 833 2.920 17.783 14.943 1.00 21.46 H new ATOM 0 HB2 PHE B 833 4.277 18.926 16.270 1.00 22.47 H new ATOM 0 HB3 PHE B 833 4.646 19.955 15.158 1.00 22.47 H new ATOM 0 HD1 PHE B 833 2.154 19.116 17.402 1.00 24.95 H new ATOM 0 HD2 PHE B 833 3.331 21.946 14.853 1.00 25.45 H new ATOM 0 HE1 PHE B 833 0.480 20.541 18.232 1.00 28.25 H new ATOM 0 HE2 PHE B 833 1.780 23.450 15.782 1.00 28.08 H new ATOM 0 HZ PHE B 833 0.348 22.712 17.481 1.00 26.03 H new ATOM 2624 N VAL B 834 3.010 19.920 12.546 1.00 22.20 N ATOM 2625 CA VAL B 834 2.151 20.640 11.564 1.00 23.80 C ATOM 2626 C VAL B 834 1.428 19.653 10.668 1.00 26.19 C ATOM 2627 O VAL B 834 0.254 19.870 10.326 1.00 23.17 O ATOM 2628 CB VAL B 834 2.974 21.635 10.773 1.00 24.26 C ATOM 2629 CG1 VAL B 834 2.211 22.273 9.586 1.00 28.40 C ATOM 2630 CG2 VAL B 834 3.468 22.725 11.715 1.00 24.73 C ATOM 0 H VAL B 834 3.855 20.056 12.461 1.00 22.20 H new ATOM 0 HA VAL B 834 1.473 21.143 12.043 1.00 23.80 H new ATOM 0 HB VAL B 834 3.715 21.145 10.383 1.00 24.26 H new ATOM 0 HG11 VAL B 834 2.793 22.897 9.125 1.00 28.40 H new ATOM 0 HG12 VAL B 834 1.930 21.578 8.970 1.00 28.40 H new ATOM 0 HG13 VAL B 834 1.431 22.744 9.918 1.00 28.40 H new ATOM 0 HG21 VAL B 834 3.997 23.368 11.217 1.00 24.73 H new ATOM 0 HG22 VAL B 834 2.708 23.174 12.117 1.00 24.73 H new ATOM 0 HG23 VAL B 834 4.014 22.328 12.411 1.00 24.73 H new ATOM 2631 N GLN B 835 2.083 18.541 10.301 1.00 24.85 N ATOM 2632 CA GLN B 835 1.446 17.575 9.464 1.00 25.77 C ATOM 2633 C GLN B 835 0.261 16.938 10.139 1.00 25.26 C ATOM 2634 O GLN B 835 -0.777 16.769 9.531 1.00 25.37 O ATOM 2635 CB GLN B 835 2.394 16.487 8.954 1.00 32.18 C ATOM 2636 CG GLN B 835 3.331 17.041 7.926 1.00 40.62 C ATOM 2637 CD GLN B 835 4.380 16.052 7.447 1.00 48.80 C ATOM 2638 OE1 GLN B 835 4.546 14.938 7.981 1.00 45.61 O ATOM 2639 NE2 GLN B 835 5.100 16.467 6.408 1.00 56.77 N ATOM 0 H GLN B 835 2.888 18.348 10.534 1.00 24.85 H new ATOM 0 HA GLN B 835 1.140 18.078 8.693 1.00 25.77 H new ATOM 0 HB2 GLN B 835 2.900 16.119 9.695 1.00 32.18 H new ATOM 0 HB3 GLN B 835 1.881 15.758 8.571 1.00 32.18 H new ATOM 0 HG2 GLN B 835 2.815 17.346 7.163 1.00 40.62 H new ATOM 0 HG3 GLN B 835 3.778 17.819 8.295 1.00 40.62 H new ATOM 0 HE21 GLN B 835 4.955 17.243 6.067 1.00 56.77 H new ATOM 0 HE22 GLN B 835 5.710 15.959 6.077 1.00 56.77 H new ATOM 2640 N ASP B 836 0.385 16.600 11.400 1.00 23.27 N ATOM 2641 CA ASP B 836 -0.721 15.973 12.082 1.00 21.53 C ATOM 2642 C ASP B 836 -1.839 17.029 12.283 1.00 20.22 C ATOM 2643 O ASP B 836 -2.998 16.677 12.231 1.00 22.36 O ATOM 2644 CB ASP B 836 -0.259 15.481 13.410 1.00 23.82 C ATOM 2645 CG ASP B 836 0.298 14.090 13.375 1.00 27.57 C ATOM 2646 OD1 ASP B 836 0.303 13.473 12.293 1.00 27.24 O ATOM 2647 OD2 ASP B 836 0.665 13.614 14.499 1.00 27.90 O ATOM 0 H ASP B 836 1.091 16.722 11.876 1.00 23.27 H new ATOM 0 HA ASP B 836 -1.059 15.228 11.561 1.00 21.53 H new ATOM 0 HB2 ASP B 836 0.419 16.084 13.752 1.00 23.82 H new ATOM 0 HB3 ASP B 836 -1.002 15.508 14.033 1.00 23.82 H new ATOM 2648 N MET B 837 -1.501 18.277 12.562 1.00 19.67 N ATOM 2649 CA MET B 837 -2.602 19.303 12.706 1.00 21.99 C ATOM 2650 C MET B 837 -3.360 19.490 11.390 1.00 24.38 C ATOM 2651 O MET B 837 -4.618 19.472 11.370 1.00 25.61 O ATOM 2652 CB MET B 837 -2.045 20.635 13.142 1.00 21.21 C ATOM 2653 CG MET B 837 -1.496 20.641 14.557 1.00 24.24 C ATOM 2654 SD MET B 837 -2.734 20.346 15.828 1.00 23.86 S ATOM 2655 CE MET B 837 -3.454 21.994 15.728 1.00 29.15 C ATOM 0 H MET B 837 -0.699 18.567 12.672 1.00 19.67 H new ATOM 0 HA MET B 837 -3.213 18.971 13.382 1.00 21.99 H new ATOM 0 HB2 MET B 837 -1.339 20.896 12.530 1.00 21.21 H new ATOM 0 HB3 MET B 837 -2.743 21.305 13.073 1.00 21.21 H new ATOM 0 HG2 MET B 837 -0.806 19.963 14.628 1.00 24.24 H new ATOM 0 HG3 MET B 837 -1.072 21.497 14.725 1.00 24.24 H new ATOM 0 HE1 MET B 837 -3.960 22.176 16.535 1.00 29.15 H new ATOM 0 HE2 MET B 837 -2.747 22.651 15.636 1.00 29.15 H new ATOM 0 HE3 MET B 837 -4.043 22.044 14.959 1.00 29.15 H new ATOM 2656 N ARG B 838 -2.619 19.564 10.274 1.00 22.58 N ATOM 2657 CA ARG B 838 -3.273 19.699 8.948 1.00 25.27 C ATOM 2658 C ARG B 838 -4.074 18.496 8.571 1.00 25.55 C ATOM 2659 O ARG B 838 -5.191 18.584 7.949 1.00 25.74 O ATOM 2660 CB ARG B 838 -2.250 20.096 7.853 1.00 27.43 C ATOM 2661 CG ARG B 838 -1.661 21.466 8.113 1.00 27.61 C ATOM 2662 CD ARG B 838 -0.625 21.863 7.066 1.00 29.30 C ATOM 2663 NE ARG B 838 -0.273 23.275 7.166 1.00 28.38 N ATOM 2664 CZ ARG B 838 0.828 23.833 6.662 1.00 32.95 C ATOM 2665 NH1 ARG B 838 1.752 23.095 6.057 1.00 31.58 N ATOM 2666 NH2 ARG B 838 1.060 25.118 6.832 1.00 31.63 N ATOM 0 H ARG B 838 -1.760 19.539 10.255 1.00 22.58 H new ATOM 0 HA ARG B 838 -3.912 20.425 9.022 1.00 25.27 H new ATOM 0 HB2 ARG B 838 -1.538 19.438 7.820 1.00 27.43 H new ATOM 0 HB3 ARG B 838 -2.684 20.089 6.985 1.00 27.43 H new ATOM 0 HG2 ARG B 838 -2.373 22.124 8.125 1.00 27.61 H new ATOM 0 HG3 ARG B 838 -1.250 21.477 8.991 1.00 27.61 H new ATOM 0 HD2 ARG B 838 0.172 21.322 7.177 1.00 29.30 H new ATOM 0 HD3 ARG B 838 -0.972 21.678 6.180 1.00 29.30 H new ATOM 0 HE ARG B 838 -0.820 23.790 7.584 1.00 28.38 H new ATOM 0 HH11 ARG B 838 1.645 22.245 5.986 1.00 31.58 H new ATOM 0 HH12 ARG B 838 2.458 23.468 5.736 1.00 31.58 H new ATOM 0 HH21 ARG B 838 0.500 25.602 7.270 1.00 31.63 H new ATOM 0 HH22 ARG B 838 1.772 25.473 6.505 1.00 31.63 H new ATOM 2667 N LEU B 839 -3.604 17.344 8.991 1.00 25.54 N ATOM 2668 CA LEU B 839 -4.351 16.128 8.700 1.00 25.84 C ATOM 2669 C LEU B 839 -5.766 16.105 9.342 1.00 27.78 C ATOM 2670 O LEU B 839 -6.722 15.531 8.802 1.00 24.68 O ATOM 2671 CB LEU B 839 -3.559 14.922 9.132 1.00 27.84 C ATOM 2672 CG LEU B 839 -4.172 13.537 9.054 1.00 32.15 C ATOM 2673 CD1 LEU B 839 -4.462 13.071 7.635 1.00 35.93 C ATOM 2674 CD2 LEU B 839 -3.210 12.539 9.725 1.00 36.03 C ATOM 0 H LEU B 839 -2.875 17.236 9.435 1.00 25.54 H new ATOM 0 HA LEU B 839 -4.488 16.107 7.740 1.00 25.84 H new ATOM 0 HB2 LEU B 839 -2.747 14.907 8.602 1.00 27.84 H new ATOM 0 HB3 LEU B 839 -3.294 15.067 10.054 1.00 27.84 H new ATOM 0 HG LEU B 839 -5.028 13.579 9.509 1.00 32.15 H new ATOM 0 HD11 LEU B 839 -4.851 12.183 7.659 1.00 35.93 H new ATOM 0 HD12 LEU B 839 -5.084 13.684 7.214 1.00 35.93 H new ATOM 0 HD13 LEU B 839 -3.636 13.048 7.126 1.00 35.93 H new ATOM 0 HD21 LEU B 839 -3.588 11.647 9.683 1.00 36.03 H new ATOM 0 HD22 LEU B 839 -2.357 12.550 9.262 1.00 36.03 H new ATOM 0 HD23 LEU B 839 -3.078 12.791 10.652 1.00 36.03 H new ATOM 2675 N ILE B 840 -5.884 16.657 10.536 1.00 21.89 N ATOM 2676 CA ILE B 840 -7.202 16.735 11.191 1.00 22.91 C ATOM 2677 C ILE B 840 -8.216 17.403 10.257 1.00 22.05 C ATOM 2678 O ILE B 840 -9.332 16.933 10.079 1.00 24.52 O ATOM 2679 CB ILE B 840 -7.102 17.561 12.492 1.00 22.59 C ATOM 2680 CG1 ILE B 840 -6.367 16.729 13.539 1.00 21.36 C ATOM 2681 CG2 ILE B 840 -8.467 18.012 12.979 1.00 23.60 C ATOM 2682 CD1 ILE B 840 -5.962 17.512 14.793 1.00 25.70 C ATOM 0 H ILE B 840 -5.232 16.991 10.987 1.00 21.89 H new ATOM 0 HA ILE B 840 -7.494 15.834 11.399 1.00 22.91 H new ATOM 0 HB ILE B 840 -6.601 18.374 12.321 1.00 22.59 H new ATOM 0 HG12 ILE B 840 -6.932 15.986 13.802 1.00 21.36 H new ATOM 0 HG13 ILE B 840 -5.571 16.350 13.135 1.00 21.36 H new ATOM 0 HG21 ILE B 840 -8.366 18.526 13.795 1.00 23.60 H new ATOM 0 HG22 ILE B 840 -8.887 18.563 12.300 1.00 23.60 H new ATOM 0 HG23 ILE B 840 -9.021 17.235 13.153 1.00 23.60 H new ATOM 0 HD11 ILE B 840 -5.502 16.921 15.409 1.00 25.70 H new ATOM 0 HD12 ILE B 840 -5.372 18.240 14.543 1.00 25.70 H new ATOM 0 HD13 ILE B 840 -6.755 17.871 15.221 1.00 25.70 H new ATOM 2683 N PHE B 841 -7.856 18.545 9.737 1.00 23.33 N ATOM 2684 CA PHE B 841 -8.810 19.330 8.880 1.00 26.71 C ATOM 2685 C PHE B 841 -9.003 18.708 7.525 1.00 28.97 C ATOM 2686 O PHE B 841 -10.124 18.705 6.966 1.00 25.79 O ATOM 2687 CB PHE B 841 -8.346 20.760 8.788 1.00 27.10 C ATOM 2688 CG PHE B 841 -8.052 21.334 10.150 1.00 32.88 C ATOM 2689 CD1 PHE B 841 -9.092 21.397 11.120 1.00 30.69 C ATOM 2690 CD2 PHE B 841 -6.770 21.753 10.498 1.00 29.58 C ATOM 2691 CE1 PHE B 841 -8.854 21.832 12.419 1.00 29.89 C ATOM 2692 CE2 PHE B 841 -6.542 22.235 11.795 1.00 32.63 C ATOM 2693 CZ PHE B 841 -7.585 22.271 12.751 1.00 34.81 C ATOM 0 H PHE B 841 -7.084 18.908 9.845 1.00 23.33 H new ATOM 0 HA PHE B 841 -9.684 19.315 9.301 1.00 26.71 H new ATOM 0 HB2 PHE B 841 -7.549 20.808 8.237 1.00 27.10 H new ATOM 0 HB3 PHE B 841 -9.027 21.295 8.350 1.00 27.10 H new ATOM 0 HD1 PHE B 841 -9.953 21.141 10.879 1.00 30.69 H new ATOM 0 HD2 PHE B 841 -6.076 21.714 9.880 1.00 29.58 H new ATOM 0 HE1 PHE B 841 -9.535 21.828 13.052 1.00 29.89 H new ATOM 0 HE2 PHE B 841 -5.694 22.535 12.030 1.00 32.63 H new ATOM 0 HZ PHE B 841 -7.416 22.592 13.607 1.00 34.81 H new ATOM 2694 N HIS B 842 -7.946 18.081 7.026 1.00 27.76 N ATOM 2695 CA HIS B 842 -8.061 17.237 5.836 1.00 29.65 C ATOM 2696 C HIS B 842 -9.034 16.136 5.917 1.00 28.60 C ATOM 2697 O HIS B 842 -9.889 15.943 5.010 1.00 30.88 O ATOM 2698 CB HIS B 842 -6.697 16.707 5.360 1.00 35.13 C ATOM 2699 CG HIS B 842 -6.811 15.762 4.197 1.00 38.39 C ATOM 2700 ND1 HIS B 842 -6.809 16.197 2.885 1.00 39.30 N ATOM 2701 CD2 HIS B 842 -6.929 14.408 4.147 1.00 44.08 C ATOM 2702 CE1 HIS B 842 -6.955 15.164 2.076 1.00 44.58 C ATOM 2703 NE2 HIS B 842 -7.012 14.065 2.812 1.00 50.68 N ATOM 0 H HIS B 842 -7.154 18.128 7.358 1.00 27.76 H new ATOM 0 HA HIS B 842 -8.421 17.848 5.174 1.00 29.65 H new ATOM 0 HB2 HIS B 842 -6.134 17.456 5.109 1.00 35.13 H new ATOM 0 HB3 HIS B 842 -6.256 16.255 6.096 1.00 35.13 H new ATOM 0 HD2 HIS B 842 -6.950 13.826 4.872 1.00 44.08 H new ATOM 0 HE1 HIS B 842 -7.009 15.202 1.148 1.00 44.58 H new ATOM 0 HE2 HIS B 842 -7.089 13.265 2.507 1.00 50.68 H new ATOM 2704 N ASN B 843 -8.952 15.364 6.972 1.00 26.06 N ATOM 2705 CA ASN B 843 -9.866 14.295 7.167 1.00 24.94 C ATOM 2706 C ASN B 843 -11.314 14.767 7.276 1.00 28.32 C ATOM 2707 O ASN B 843 -12.217 14.053 6.831 1.00 26.97 O ATOM 2708 CB ASN B 843 -9.481 13.488 8.406 1.00 28.03 C ATOM 2709 CG ASN B 843 -8.240 12.611 8.157 1.00 31.49 C ATOM 2710 OD1 ASN B 843 -7.742 12.503 7.002 1.00 31.39 O ATOM 2711 ND2 ASN B 843 -7.724 12.020 9.220 1.00 29.28 N ATOM 0 H ASN B 843 -8.362 15.451 7.592 1.00 26.06 H new ATOM 0 HA ASN B 843 -9.810 13.731 6.380 1.00 24.94 H new ATOM 0 HB2 ASN B 843 -9.306 14.093 9.144 1.00 28.03 H new ATOM 0 HB3 ASN B 843 -10.226 12.926 8.670 1.00 28.03 H new ATOM 0 HD21 ASN B 843 -7.017 11.536 9.142 1.00 29.28 H new ATOM 0 HD22 ASN B 843 -8.095 12.119 9.990 1.00 29.28 H new ATOM 2712 N HIS B 844 -11.509 15.912 7.952 1.00 26.82 N ATOM 2713 CA HIS B 844 -12.865 16.457 8.170 1.00 27.39 C ATOM 2714 C HIS B 844 -13.527 16.815 6.783 1.00 26.40 C ATOM 2715 O HIS B 844 -14.637 16.514 6.582 1.00 26.59 O ATOM 2716 CB HIS B 844 -12.743 17.736 9.000 1.00 26.72 C ATOM 2717 CG HIS B 844 -14.038 18.410 9.262 1.00 24.16 C ATOM 2718 ND1 HIS B 844 -14.847 18.057 10.321 1.00 24.54 N ATOM 2719 CD2 HIS B 844 -14.646 19.437 8.640 1.00 25.10 C ATOM 2720 CE1 HIS B 844 -15.921 18.826 10.323 1.00 28.65 C ATOM 2721 NE2 HIS B 844 -15.839 19.656 9.295 1.00 28.45 N ATOM 0 H HIS B 844 -10.876 16.385 8.290 1.00 26.82 H new ATOM 0 HA HIS B 844 -13.412 15.800 8.628 1.00 27.39 H new ATOM 0 HB2 HIS B 844 -12.323 17.522 9.848 1.00 26.72 H new ATOM 0 HB3 HIS B 844 -12.154 18.354 8.540 1.00 26.72 H new ATOM 0 HD2 HIS B 844 -14.323 19.909 7.907 1.00 25.10 H new ATOM 0 HE1 HIS B 844 -16.615 18.790 10.941 1.00 28.65 H new ATOM 0 HE2 HIS B 844 -16.433 20.237 9.072 1.00 28.45 H new ATOM 2722 N LYS B 845 -12.824 17.551 5.964 1.00 27.45 N ATOM 2723 CA LYS B 845 -13.210 17.876 4.592 1.00 34.73 C ATOM 2724 C LYS B 845 -13.519 16.650 3.767 1.00 33.72 C ATOM 2725 O LYS B 845 -14.525 16.627 3.124 1.00 34.64 O ATOM 2726 CB LYS B 845 -12.136 18.729 3.930 1.00 43.51 C ATOM 2727 CG LYS B 845 -12.458 19.083 2.466 1.00 61.43 C ATOM 2728 CD LYS B 845 -11.420 19.965 1.741 1.00 69.96 C ATOM 2729 CE LYS B 845 -9.967 19.468 1.882 1.00 79.89 C ATOM 2730 NZ LYS B 845 -9.652 18.033 1.553 1.00 78.90 N ATOM 0 H LYS B 845 -12.070 17.898 6.190 1.00 27.45 H new ATOM 0 HA LYS B 845 -14.033 18.387 4.638 1.00 34.73 H new ATOM 0 HB2 LYS B 845 -12.024 19.548 4.437 1.00 43.51 H new ATOM 0 HB3 LYS B 845 -11.290 18.256 3.964 1.00 43.51 H new ATOM 0 HG2 LYS B 845 -12.560 18.258 1.967 1.00 61.43 H new ATOM 0 HG3 LYS B 845 -13.315 19.537 2.442 1.00 61.43 H new ATOM 0 HD2 LYS B 845 -11.647 20.008 0.799 1.00 69.96 H new ATOM 0 HD3 LYS B 845 -11.478 20.869 2.088 1.00 69.96 H new ATOM 0 HE2 LYS B 845 -9.410 20.027 1.318 1.00 79.89 H new ATOM 0 HE3 LYS B 845 -9.691 19.626 2.798 1.00 79.89 H new ATOM 0 HZ1 LYS B 845 -8.783 17.883 1.677 1.00 78.90 H new ATOM 0 HZ2 LYS B 845 -10.124 17.496 2.083 1.00 78.90 H new ATOM 0 HZ3 LYS B 845 -9.862 17.870 0.704 1.00 78.90 H new ATOM 2731 N GLU B 846 -12.699 15.595 3.813 1.00 34.88 N ATOM 2732 CA GLU B 846 -12.956 14.401 3.038 1.00 36.02 C ATOM 2733 C GLU B 846 -14.136 13.642 3.473 1.00 36.60 C ATOM 2734 O GLU B 846 -14.679 12.872 2.691 1.00 36.58 O ATOM 2735 CB GLU B 846 -11.751 13.397 3.034 1.00 41.55 C ATOM 2736 CG GLU B 846 -10.511 13.835 2.290 1.00 48.48 C ATOM 2737 CD GLU B 846 -10.756 14.122 0.812 1.00 58.58 C ATOM 2738 OE1 GLU B 846 -11.429 13.311 0.109 1.00 56.04 O ATOM 2739 OE2 GLU B 846 -10.291 15.191 0.363 1.00 64.64 O ATOM 0 H GLU B 846 -11.986 15.561 4.293 1.00 34.88 H new ATOM 0 HA GLU B 846 -13.109 14.756 2.149 1.00 36.02 H new ATOM 0 HB2 GLU B 846 -11.504 13.215 3.954 1.00 41.55 H new ATOM 0 HB3 GLU B 846 -12.055 12.559 2.651 1.00 41.55 H new ATOM 0 HG2 GLU B 846 -10.154 14.632 2.712 1.00 48.48 H new ATOM 0 HG3 GLU B 846 -9.834 13.145 2.370 1.00 48.48 H new ATOM 2740 N PHE B 847 -14.494 13.718 4.742 1.00 30.18 N ATOM 2741 CA PHE B 847 -15.610 12.928 5.215 1.00 28.58 C ATOM 2742 C PHE B 847 -16.938 13.653 4.944 1.00 27.83 C ATOM 2743 O PHE B 847 -17.910 12.988 4.694 1.00 26.87 O ATOM 2744 CB PHE B 847 -15.531 12.679 6.726 1.00 25.74 C ATOM 2745 CG PHE B 847 -16.623 11.853 7.262 1.00 26.53 C ATOM 2746 CD1 PHE B 847 -16.641 10.465 7.032 1.00 25.45 C ATOM 2747 CD2 PHE B 847 -17.639 12.431 8.002 1.00 26.90 C ATOM 2748 CE1 PHE B 847 -17.622 9.688 7.543 1.00 26.92 C ATOM 2749 CE2 PHE B 847 -18.651 11.655 8.508 1.00 29.77 C ATOM 2750 CZ PHE B 847 -18.644 10.272 8.290 1.00 32.20 C ATOM 0 H PHE B 847 -14.112 14.211 5.335 1.00 30.18 H new ATOM 0 HA PHE B 847 -15.569 12.084 4.739 1.00 28.58 H new ATOM 0 HB2 PHE B 847 -14.685 12.249 6.928 1.00 25.74 H new ATOM 0 HB3 PHE B 847 -15.531 13.534 7.184 1.00 25.74 H new ATOM 0 HD1 PHE B 847 -15.968 10.076 6.521 1.00 25.45 H new ATOM 0 HD2 PHE B 847 -17.636 13.348 8.157 1.00 26.90 H new ATOM 0 HE1 PHE B 847 -17.615 8.770 7.397 1.00 26.92 H new ATOM 0 HE2 PHE B 847 -19.340 12.047 8.995 1.00 29.77 H new ATOM 0 HZ PHE B 847 -19.322 9.742 8.644 1.00 32.20 H new ATOM 2751 N TYR B 848 -16.957 14.947 5.258 1.00 26.83 N ATOM 2752 CA TYR B 848 -18.190 15.756 5.240 1.00 30.26 C ATOM 2753 C TYR B 848 -18.453 16.272 3.809 1.00 32.29 C ATOM 2754 O TYR B 848 -19.596 16.466 3.484 1.00 31.50 O ATOM 2755 CB TYR B 848 -18.198 16.889 6.300 1.00 26.05 C ATOM 2756 CG TYR B 848 -18.421 16.328 7.696 1.00 27.36 C ATOM 2757 CD1 TYR B 848 -19.597 15.685 8.034 1.00 26.73 C ATOM 2758 CD2 TYR B 848 -17.403 16.289 8.632 1.00 30.18 C ATOM 2759 CE1 TYR B 848 -19.813 15.106 9.254 1.00 28.05 C ATOM 2760 CE2 TYR B 848 -17.606 15.695 9.875 1.00 26.83 C ATOM 2761 CZ TYR B 848 -18.794 15.097 10.178 1.00 28.68 C ATOM 2762 OH TYR B 848 -19.045 14.542 11.377 1.00 25.85 O ATOM 0 H TYR B 848 -16.256 15.388 5.489 1.00 26.83 H new ATOM 0 HA TYR B 848 -18.927 15.180 5.498 1.00 30.26 H new ATOM 0 HB2 TYR B 848 -17.356 17.369 6.271 1.00 26.05 H new ATOM 0 HB3 TYR B 848 -18.896 17.529 6.089 1.00 26.05 H new ATOM 0 HD1 TYR B 848 -20.276 15.644 7.400 1.00 26.73 H new ATOM 0 HD2 TYR B 848 -16.576 16.663 8.429 1.00 30.18 H new ATOM 0 HE1 TYR B 848 -20.637 14.724 9.456 1.00 28.05 H new ATOM 0 HE2 TYR B 848 -16.923 15.706 10.506 1.00 26.83 H new ATOM 0 HH TYR B 848 -19.617 13.933 11.290 1.00 25.85 H new ATOM 2763 N ARG B 849 -17.425 16.419 2.984 1.00 33.49 N ATOM 2764 CA ARG B 849 -17.540 16.671 1.519 1.00 37.59 C ATOM 2765 C ARG B 849 -18.476 17.850 1.262 1.00 42.89 C ATOM 2766 O ARG B 849 -18.130 18.976 1.639 1.00 46.51 O ATOM 2767 CB ARG B 849 -17.888 15.377 0.725 1.00 39.92 C ATOM 2768 CG ARG B 849 -16.987 14.203 1.119 1.00 45.51 C ATOM 2769 CD ARG B 849 -16.990 12.984 0.197 1.00 46.47 C ATOM 2770 NE ARG B 849 -16.225 13.236 -1.020 1.00 45.22 N ATOM 2771 CZ ARG B 849 -14.884 13.223 -1.165 1.00 52.43 C ATOM 2772 NH1 ARG B 849 -14.028 12.964 -0.158 1.00 42.98 N ATOM 2773 NH2 ARG B 849 -14.369 13.491 -2.373 1.00 54.57 N ATOM 0 H ARG B 849 -16.609 16.376 3.253 1.00 33.49 H new ATOM 0 HA ARG B 849 -16.673 16.931 1.171 1.00 37.59 H new ATOM 0 HB2 ARG B 849 -18.815 15.140 0.884 1.00 39.92 H new ATOM 0 HB3 ARG B 849 -17.798 15.548 -0.226 1.00 39.92 H new ATOM 0 HG2 ARG B 849 -16.076 14.530 1.182 1.00 45.51 H new ATOM 0 HG3 ARG B 849 -17.245 13.910 2.007 1.00 45.51 H new ATOM 0 HD2 ARG B 849 -16.615 12.221 0.665 1.00 46.47 H new ATOM 0 HD3 ARG B 849 -17.903 12.754 -0.035 1.00 46.47 H new ATOM 0 HE ARG B 849 -16.682 13.413 -1.727 1.00 45.22 H new ATOM 0 HH11 ARG B 849 -14.329 12.795 0.630 1.00 42.98 H new ATOM 0 HH12 ARG B 849 -13.180 12.968 -0.303 1.00 42.98 H new ATOM 0 HH21 ARG B 849 -14.891 13.666 -3.034 1.00 54.57 H new ATOM 0 HH22 ARG B 849 -13.517 13.488 -2.487 1.00 54.57 H new ATOM 2774 N GLU B 850 -19.670 17.604 0.718 1.00 44.30 N ATOM 2775 CA AGLU B 850 -20.574 18.697 0.303 0.44 46.90 C ATOM 2776 CA BGLU B 850 -20.567 18.686 0.291 0.56 49.87 C ATOM 2777 C GLU B 850 -21.358 19.322 1.444 1.00 44.80 C ATOM 2778 O GLU B 850 -21.790 20.479 1.330 1.00 42.14 O ATOM 2779 CB AGLU B 850 -21.558 18.246 -0.809 0.44 48.22 C ATOM 2780 CB BGLU B 850 -21.504 18.211 -0.865 0.56 54.45 C ATOM 2781 CG AGLU B 850 -21.166 18.760 -2.177 0.44 47.56 C ATOM 2782 CG BGLU B 850 -22.722 17.360 -0.491 0.56 56.23 C ATOM 2783 CD AGLU B 850 -19.827 18.238 -2.600 0.44 48.01 C ATOM 2784 CD BGLU B 850 -22.412 15.897 -0.254 0.56 61.32 C ATOM 2785 OE1AGLU B 850 -18.899 19.053 -2.814 0.44 45.90 O ATOM 2786 OE1BGLU B 850 -23.268 15.056 -0.622 0.56 66.86 O ATOM 2787 OE2AGLU B 850 -19.709 17.000 -2.681 0.44 51.88 O ATOM 2788 OE2BGLU B 850 -21.334 15.592 0.306 0.56 55.72 O ATOM 0 H AGLU B 850 -19.980 16.814 0.578 0.44 44.30 H new ATOM 0 H BGLU B 850 -19.982 16.813 0.586 0.56 44.30 H new ATOM 0 HA AGLU B 850 -19.980 19.380 -0.045 0.44 49.87 H new ATOM 0 HA BGLU B 850 -19.998 19.394 -0.049 0.56 49.87 H new ATOM 0 HB2AGLU B 850 -21.595 17.277 -0.830 0.44 54.45 H new ATOM 0 HB2BGLU B 850 -21.823 18.998 -1.333 0.56 54.45 H new ATOM 0 HB3AGLU B 850 -22.450 18.559 -0.593 0.44 54.45 H new ATOM 0 HB3BGLU B 850 -20.968 17.704 -1.495 0.56 54.45 H new ATOM 0 HG2AGLU B 850 -21.837 18.497 -2.827 0.44 56.23 H new ATOM 0 HG2BGLU B 850 -23.126 17.728 0.310 0.56 56.23 H new ATOM 0 HG3AGLU B 850 -21.147 19.730 -2.166 0.44 56.23 H new ATOM 0 HG3BGLU B 850 -23.381 17.429 -1.199 0.56 56.23 H new ATOM 2789 N ASP B 851 -21.561 18.563 2.527 1.00 42.82 N ATOM 2790 CA ASP B 851 -22.231 19.069 3.703 1.00 40.28 C ATOM 2791 C ASP B 851 -21.615 20.356 4.223 1.00 37.28 C ATOM 2792 O ASP B 851 -20.392 20.583 4.239 1.00 37.20 O ATOM 2793 CB ASP B 851 -22.299 18.004 4.793 1.00 45.78 C ATOM 2794 CG ASP B 851 -23.335 18.314 5.919 1.00 44.64 C ATOM 2795 OD1 ASP B 851 -23.242 19.318 6.688 1.00 40.10 O ATOM 2796 OD2 ASP B 851 -24.206 17.450 6.096 1.00 47.50 O ATOM 0 H ASP B 851 -21.310 17.743 2.589 1.00 42.82 H new ATOM 0 HA ASP B 851 -23.137 19.290 3.436 1.00 40.28 H new ATOM 0 HB2 ASP B 851 -22.522 17.152 4.387 1.00 45.78 H new ATOM 0 HB3 ASP B 851 -21.420 17.906 5.192 1.00 45.78 H new ATOM 2797 N LYS B 852 -22.495 21.259 4.594 1.00 33.56 N ATOM 2798 CA LYS B 852 -22.069 22.568 5.031 1.00 34.47 C ATOM 2799 C LYS B 852 -21.170 22.514 6.274 1.00 31.89 C ATOM 2800 O LYS B 852 -20.460 23.484 6.573 1.00 31.73 O ATOM 2801 CB LYS B 852 -23.261 23.448 5.311 1.00 38.08 C ATOM 2802 CG LYS B 852 -24.206 22.917 6.372 1.00 40.68 C ATOM 2803 CD LYS B 852 -25.399 23.888 6.505 1.00 49.76 C ATOM 2804 CE LYS B 852 -26.407 23.375 7.547 1.00 48.90 C ATOM 2805 NZ LYS B 852 -27.611 24.195 7.848 1.00 50.09 N ATOM 0 H LYS B 852 -23.346 21.135 4.601 1.00 33.56 H new ATOM 0 HA LYS B 852 -21.546 22.943 4.305 1.00 34.47 H new ATOM 0 HB2 LYS B 852 -22.944 24.323 5.586 1.00 38.08 H new ATOM 0 HB3 LYS B 852 -23.757 23.572 4.487 1.00 38.08 H new ATOM 0 HG2 LYS B 852 -24.519 22.031 6.130 1.00 40.68 H new ATOM 0 HG3 LYS B 852 -23.745 22.833 7.221 1.00 40.68 H new ATOM 0 HD2 LYS B 852 -25.079 24.767 6.763 1.00 49.76 H new ATOM 0 HD3 LYS B 852 -25.838 23.987 5.646 1.00 49.76 H new ATOM 0 HE2 LYS B 852 -26.713 22.502 7.254 1.00 48.90 H new ATOM 0 HE3 LYS B 852 -25.927 23.243 8.379 1.00 48.90 H new ATOM 0 HZ1 LYS B 852 -28.104 23.783 8.464 1.00 50.09 H new ATOM 0 HZ2 LYS B 852 -27.359 24.992 8.154 1.00 50.09 H new ATOM 0 HZ3 LYS B 852 -28.091 24.301 7.106 1.00 50.09 H new ATOM 2806 N PHE B 853 -21.277 21.420 7.011 1.00 29.43 N ATOM 2807 CA PHE B 853 -20.452 21.192 8.221 1.00 30.31 C ATOM 2808 C PHE B 853 -18.941 21.184 7.912 1.00 27.98 C ATOM 2809 O PHE B 853 -18.109 21.476 8.764 1.00 27.09 O ATOM 2810 CB PHE B 853 -20.917 19.915 8.896 1.00 28.10 C ATOM 2811 CG PHE B 853 -20.364 19.719 10.276 1.00 28.05 C ATOM 2812 CD1 PHE B 853 -20.646 20.633 11.278 1.00 28.97 C ATOM 2813 CD2 PHE B 853 -19.542 18.633 10.573 1.00 26.07 C ATOM 2814 CE1 PHE B 853 -20.146 20.437 12.566 1.00 31.87 C ATOM 2815 CE2 PHE B 853 -19.029 18.448 11.853 1.00 28.38 C ATOM 2816 CZ PHE B 853 -19.338 19.364 12.853 1.00 27.72 C ATOM 0 H PHE B 853 -21.825 20.781 6.836 1.00 29.43 H new ATOM 0 HA PHE B 853 -20.577 21.934 8.833 1.00 30.31 H new ATOM 0 HB2 PHE B 853 -21.886 19.919 8.943 1.00 28.10 H new ATOM 0 HB3 PHE B 853 -20.663 19.158 8.345 1.00 28.10 H new ATOM 0 HD1 PHE B 853 -21.170 21.379 11.092 1.00 28.97 H new ATOM 0 HD2 PHE B 853 -19.333 18.022 9.904 1.00 26.07 H new ATOM 0 HE1 PHE B 853 -20.363 21.041 13.239 1.00 31.87 H new ATOM 0 HE2 PHE B 853 -18.484 17.718 12.038 1.00 28.38 H new ATOM 0 HZ PHE B 853 -18.999 19.251 13.712 1.00 27.72 H new ATOM 2817 N THR B 854 -18.595 20.986 6.658 1.00 30.60 N ATOM 2818 CA ATHR B 854 -17.213 21.103 6.162 0.45 32.51 C ATOM 2819 CA BTHR B 854 -17.212 21.096 6.220 0.55 31.87 C ATOM 2820 C THR B 854 -16.618 22.426 6.530 1.00 30.63 C ATOM 2821 O THR B 854 -15.423 22.524 6.753 1.00 26.52 O ATOM 2822 CB ATHR B 854 -17.103 20.922 4.604 0.45 34.64 C ATOM 2823 CB BTHR B 854 -17.064 20.819 4.696 0.55 32.10 C ATOM 2824 OG1ATHR B 854 -15.750 20.671 4.221 0.45 35.51 O ATOM 2825 OG1BTHR B 854 -18.053 21.561 3.964 0.55 43.84 O ATOM 2826 CG2ATHR B 854 -17.532 22.193 3.841 0.45 38.26 C ATOM 2827 CG2BTHR B 854 -17.239 19.409 4.428 0.55 28.47 C ATOM 0 H ATHR B 854 -19.161 20.774 6.046 0.45 30.60 H new ATOM 0 H BTHR B 854 -19.150 20.784 6.033 0.55 30.60 H new ATOM 0 HA ATHR B 854 -16.722 20.383 6.588 0.45 31.87 H new ATOM 0 HA BTHR B 854 -16.728 20.419 6.718 0.55 31.87 H new ATOM 0 HB ATHR B 854 -17.686 20.179 4.382 0.45 32.10 H new ATOM 0 HB BTHR B 854 -16.177 21.094 4.417 0.55 32.10 H new ATOM 0 HG1ATHR B 854 -15.708 20.575 3.388 0.45 43.84 H new ATOM 0 HG1BTHR B 854 -18.770 21.125 3.941 0.55 43.84 H new ATOM 0 HG21ATHR B 854 -17.450 22.041 2.887 0.45 28.47 H new ATOM 0 HG21BTHR B 854 -17.145 19.246 3.476 0.55 28.47 H new ATOM 0 HG22ATHR B 854 -18.454 22.404 4.056 0.45 28.47 H new ATOM 0 HG22BTHR B 854 -16.567 18.902 4.910 0.55 28.47 H new ATOM 0 HG23ATHR B 854 -16.962 22.934 4.100 0.45 28.47 H new ATOM 0 HG23BTHR B 854 -18.122 19.132 4.717 0.55 28.47 H new ATOM 2828 N ARG B 855 -17.459 23.463 6.597 1.00 26.40 N ATOM 2829 CA ARG B 855 -16.980 24.758 6.874 1.00 26.90 C ATOM 2830 C ARG B 855 -16.329 24.871 8.292 1.00 25.68 C ATOM 2831 O ARG B 855 -15.463 25.688 8.448 1.00 24.99 O ATOM 2832 CB ARG B 855 -18.099 25.781 6.658 1.00 33.63 C ATOM 2833 CG ARG B 855 -17.742 27.226 6.937 1.00 40.71 C ATOM 2834 CD ARG B 855 -18.979 28.094 6.587 1.00 51.54 C ATOM 2835 NE ARG B 855 -18.823 29.516 6.964 1.00 58.48 N ATOM 2836 CZ ARG B 855 -19.409 30.147 8.002 1.00 62.72 C ATOM 2837 NH1 ARG B 855 -20.260 29.542 8.850 1.00 57.51 N ATOM 2838 NH2 ARG B 855 -19.157 31.444 8.181 1.00 61.27 N ATOM 0 H ARG B 855 -18.309 23.409 6.480 1.00 26.40 H new ATOM 0 HA ARG B 855 -16.263 24.954 6.251 1.00 26.90 H new ATOM 0 HB2 ARG B 855 -18.402 25.713 5.739 1.00 33.63 H new ATOM 0 HB3 ARG B 855 -18.849 25.537 7.223 1.00 33.63 H new ATOM 0 HG2 ARG B 855 -17.497 27.342 7.868 1.00 40.71 H new ATOM 0 HG3 ARG B 855 -16.976 27.496 6.407 1.00 40.71 H new ATOM 0 HD2 ARG B 855 -19.148 28.036 5.634 1.00 51.54 H new ATOM 0 HD3 ARG B 855 -19.758 27.731 7.036 1.00 51.54 H new ATOM 0 HE ARG B 855 -18.304 29.990 6.469 1.00 58.48 H new ATOM 0 HH11 ARG B 855 -20.455 28.711 8.744 1.00 57.51 H new ATOM 0 HH12 ARG B 855 -20.609 29.986 9.498 1.00 57.51 H new ATOM 0 HH21 ARG B 855 -18.631 31.858 7.641 1.00 61.27 H new ATOM 0 HH22 ARG B 855 -19.520 31.866 8.836 1.00 61.27 H new ATOM 2839 N LEU B 856 -16.754 24.063 9.267 1.00 24.52 N ATOM 2840 CA LEU B 856 -16.116 24.116 10.622 1.00 28.26 C ATOM 2841 C LEU B 856 -14.591 23.812 10.523 1.00 25.91 C ATOM 2842 O LEU B 856 -13.767 24.482 11.135 1.00 30.71 O ATOM 2843 CB LEU B 856 -16.793 23.137 11.595 1.00 30.64 C ATOM 2844 CG LEU B 856 -18.027 23.653 12.352 1.00 31.90 C ATOM 2845 CD1 LEU B 856 -17.636 24.867 13.199 1.00 33.79 C ATOM 2846 CD2 LEU B 856 -19.125 24.059 11.391 1.00 35.51 C ATOM 0 H LEU B 856 -17.389 23.489 9.185 1.00 24.52 H new ATOM 0 HA LEU B 856 -16.233 25.014 10.969 1.00 28.26 H new ATOM 0 HB2 LEU B 856 -17.053 22.347 11.096 1.00 30.64 H new ATOM 0 HB3 LEU B 856 -16.133 22.856 12.248 1.00 30.64 H new ATOM 0 HG LEU B 856 -18.356 22.937 12.918 1.00 31.90 H new ATOM 0 HD11 LEU B 856 -18.415 25.193 13.677 1.00 33.79 H new ATOM 0 HD12 LEU B 856 -16.951 24.610 13.836 1.00 33.79 H new ATOM 0 HD13 LEU B 856 -17.295 25.568 12.622 1.00 33.79 H new ATOM 0 HD21 LEU B 856 -19.891 24.380 11.892 1.00 35.51 H new ATOM 0 HD22 LEU B 856 -18.801 24.764 10.809 1.00 35.51 H new ATOM 0 HD23 LEU B 856 -19.387 23.293 10.856 1.00 35.51 H new ATOM 2847 N GLY B 857 -14.252 22.864 9.681 1.00 27.19 N ATOM 2848 CA GLY B 857 -12.849 22.438 9.467 1.00 26.85 C ATOM 2849 C GLY B 857 -12.068 23.565 8.836 1.00 30.86 C ATOM 2850 O GLY B 857 -10.972 23.894 9.296 1.00 31.21 O ATOM 0 H GLY B 857 -14.822 22.433 9.203 1.00 27.19 H new ATOM 0 HA2 GLY B 857 -12.445 22.186 10.312 1.00 26.85 H new ATOM 0 HA3 GLY B 857 -12.823 21.655 8.896 1.00 26.85 H new ATOM 2851 N ILE B 858 -12.677 24.261 7.859 1.00 32.48 N ATOM 2852 CA ILE B 858 -12.063 25.446 7.268 1.00 28.04 C ATOM 2853 C ILE B 858 -11.822 26.561 8.278 1.00 28.53 C ATOM 2854 O ILE B 858 -10.788 27.242 8.278 1.00 28.10 O ATOM 2855 CB ILE B 858 -12.898 25.995 6.046 1.00 33.92 C ATOM 2856 CG1 ILE B 858 -12.938 24.962 4.923 1.00 37.73 C ATOM 2857 CG2 ILE B 858 -12.264 27.288 5.491 1.00 32.05 C ATOM 2858 CD1 ILE B 858 -14.109 25.107 3.960 1.00 44.53 C ATOM 0 H ILE B 858 -13.445 24.057 7.531 1.00 32.48 H new ATOM 0 HA ILE B 858 -11.196 25.153 6.946 1.00 28.04 H new ATOM 0 HB ILE B 858 -13.797 26.179 6.362 1.00 33.92 H new ATOM 0 HG12 ILE B 858 -12.112 25.020 4.418 1.00 37.73 H new ATOM 0 HG13 ILE B 858 -12.968 24.076 5.317 1.00 37.73 H new ATOM 0 HG21 ILE B 858 -12.789 27.611 4.742 1.00 32.05 H new ATOM 0 HG22 ILE B 858 -12.245 27.964 6.187 1.00 32.05 H new ATOM 0 HG23 ILE B 858 -11.359 27.104 5.195 1.00 32.05 H new ATOM 0 HD11 ILE B 858 -14.058 24.415 3.282 1.00 44.53 H new ATOM 0 HD12 ILE B 858 -14.943 25.020 4.448 1.00 44.53 H new ATOM 0 HD13 ILE B 858 -14.073 25.978 3.536 1.00 44.53 H new ATOM 2859 N GLN B 859 -12.815 26.800 9.131 1.00 29.32 N ATOM 2860 CA GLN B 859 -12.685 27.850 10.107 1.00 29.30 C ATOM 2861 C GLN B 859 -11.561 27.566 11.212 1.00 25.16 C ATOM 2862 O GLN B 859 -10.826 28.427 11.606 1.00 26.37 O ATOM 2863 CB GLN B 859 -14.040 28.042 10.785 1.00 32.82 C ATOM 2864 CG GLN B 859 -15.112 28.633 9.841 1.00 36.79 C ATOM 2865 CD GLN B 859 -16.450 28.782 10.532 1.00 38.63 C ATOM 2866 OE1 GLN B 859 -17.022 27.818 11.056 1.00 41.90 O ATOM 2867 NE2 GLN B 859 -16.933 30.003 10.576 1.00 40.10 N ATOM 0 H GLN B 859 -13.558 26.367 9.154 1.00 29.32 H new ATOM 0 HA GLN B 859 -12.402 28.651 9.639 1.00 29.30 H new ATOM 0 HB2 GLN B 859 -14.350 27.187 11.123 1.00 32.82 H new ATOM 0 HB3 GLN B 859 -13.932 28.628 11.551 1.00 32.82 H new ATOM 0 HG2 GLN B 859 -14.817 29.499 9.518 1.00 36.79 H new ATOM 0 HG3 GLN B 859 -15.211 28.060 9.065 1.00 36.79 H new ATOM 0 HE21 GLN B 859 -16.506 30.648 10.200 1.00 40.10 H new ATOM 0 HE22 GLN B 859 -17.676 30.157 10.981 1.00 40.10 H new ATOM 2868 N VAL B 860 -11.518 26.360 11.723 1.00 26.16 N ATOM 2869 CA VAL B 860 -10.522 26.053 12.764 1.00 25.71 C ATOM 2870 C VAL B 860 -9.163 25.981 12.065 1.00 24.02 C ATOM 2871 O VAL B 860 -8.165 26.433 12.648 1.00 24.82 O ATOM 2872 CB VAL B 860 -10.911 24.767 13.513 1.00 25.67 C ATOM 2873 CG1 VAL B 860 -9.860 24.345 14.537 1.00 24.64 C ATOM 2874 CG2 VAL B 860 -12.229 25.020 14.266 1.00 24.43 C ATOM 0 H VAL B 860 -12.034 25.709 11.500 1.00 26.16 H new ATOM 0 HA VAL B 860 -10.481 26.737 13.450 1.00 25.71 H new ATOM 0 HB VAL B 860 -10.994 24.059 12.855 1.00 25.67 H new ATOM 0 HG11 VAL B 860 -10.149 23.533 14.982 1.00 24.64 H new ATOM 0 HG12 VAL B 860 -9.016 24.184 14.087 1.00 24.64 H new ATOM 0 HG13 VAL B 860 -9.747 25.050 15.194 1.00 24.64 H new ATOM 0 HG21 VAL B 860 -12.488 24.217 14.744 1.00 24.43 H new ATOM 0 HG22 VAL B 860 -12.107 25.746 14.897 1.00 24.43 H new ATOM 0 HG23 VAL B 860 -12.924 25.257 13.632 1.00 24.43 H new ATOM 2875 N GLN B 861 -9.125 25.477 10.815 1.00 24.15 N ATOM 2876 CA GLN B 861 -7.819 25.466 10.109 1.00 26.63 C ATOM 2877 C GLN B 861 -7.280 26.867 9.958 1.00 24.40 C ATOM 2878 O GLN B 861 -6.068 27.151 10.186 1.00 26.40 O ATOM 2879 CB GLN B 861 -7.825 24.712 8.805 1.00 31.37 C ATOM 2880 CG GLN B 861 -6.403 24.724 8.231 1.00 34.53 C ATOM 2881 CD GLN B 861 -6.116 23.729 7.120 1.00 43.04 C ATOM 2882 OE1 GLN B 861 -7.002 23.018 6.625 1.00 43.69 O ATOM 2883 NE2 GLN B 861 -4.821 23.661 6.737 1.00 48.91 N ATOM 0 H GLN B 861 -9.794 25.156 10.380 1.00 24.15 H new ATOM 0 HA GLN B 861 -7.212 24.964 10.675 1.00 26.63 H new ATOM 0 HB2 GLN B 861 -8.125 23.800 8.944 1.00 31.37 H new ATOM 0 HB3 GLN B 861 -8.444 25.122 8.181 1.00 31.37 H new ATOM 0 HG2 GLN B 861 -6.217 25.615 7.896 1.00 34.53 H new ATOM 0 HG3 GLN B 861 -5.781 24.558 8.956 1.00 34.53 H new ATOM 0 HE21 GLN B 861 -4.236 24.172 7.106 1.00 48.91 H new ATOM 0 HE22 GLN B 861 -4.582 23.106 6.125 1.00 48.91 H new ATOM 2884 N ASP B 862 -8.166 27.839 9.680 1.00 29.17 N ATOM 2885 CA AASP B 862 -7.674 29.187 9.535 0.50 28.72 C ATOM 2886 CA BASP B 862 -7.739 29.239 9.567 0.50 28.87 C ATOM 2887 C ASP B 862 -7.165 29.814 10.833 1.00 27.74 C ATOM 2888 O ASP B 862 -6.220 30.617 10.809 1.00 29.09 O ATOM 2889 CB AASP B 862 -8.643 30.045 8.722 0.50 34.23 C ATOM 2890 CB BASP B 862 -8.881 30.141 9.127 0.50 34.85 C ATOM 2891 CG AASP B 862 -8.387 29.902 7.203 0.50 36.96 C ATOM 2892 CG BASP B 862 -8.414 31.564 8.763 0.50 38.36 C ATOM 2893 OD1AASP B 862 -8.861 28.925 6.586 0.50 37.43 O ATOM 2894 OD1BASP B 862 -7.330 31.746 8.136 0.50 42.59 O ATOM 2895 OD2AASP B 862 -7.625 30.731 6.653 0.50 46.07 O ATOM 2896 OD2BASP B 862 -9.148 32.518 9.099 0.50 47.16 O ATOM 0 H AASP B 862 -9.013 27.733 9.578 0.50 29.17 H new ATOM 0 H BASP B 862 -9.007 27.708 9.555 0.50 29.17 H new ATOM 0 HA AASP B 862 -6.862 29.140 9.007 0.50 28.87 H new ATOM 0 HA BASP B 862 -7.037 29.216 8.898 0.50 28.87 H new ATOM 0 HB2AASP B 862 -9.555 29.785 8.924 0.50 34.85 H new ATOM 0 HB2BASP B 862 -9.323 29.745 8.360 0.50 34.85 H new ATOM 0 HB3AASP B 862 -8.550 30.975 8.981 0.50 34.85 H new ATOM 0 HB3BASP B 862 -9.539 30.193 9.838 0.50 34.85 H new ATOM 2897 N ILE B 863 -7.713 29.403 11.960 1.00 26.51 N ATOM 2898 CA ILE B 863 -7.157 29.844 13.271 1.00 27.17 C ATOM 2899 C ILE B 863 -5.764 29.198 13.431 1.00 24.92 C ATOM 2900 O ILE B 863 -4.831 29.836 13.837 1.00 24.52 O ATOM 2901 CB ILE B 863 -8.095 29.333 14.412 1.00 29.22 C ATOM 2902 CG1 ILE B 863 -9.483 30.035 14.344 1.00 39.13 C ATOM 2903 CG2 ILE B 863 -7.439 29.328 15.773 1.00 31.11 C ATOM 2904 CD1 ILE B 863 -9.340 31.495 14.655 1.00 44.33 C ATOM 0 H ILE B 863 -8.393 28.879 12.010 1.00 26.51 H new ATOM 0 HA ILE B 863 -7.091 30.811 13.313 1.00 27.17 H new ATOM 0 HB ILE B 863 -8.269 28.391 14.257 1.00 29.22 H new ATOM 0 HG12 ILE B 863 -9.867 29.922 13.461 1.00 39.13 H new ATOM 0 HG13 ILE B 863 -10.093 29.621 14.974 1.00 39.13 H new ATOM 0 HG21 ILE B 863 -8.069 29.002 16.435 1.00 31.11 H new ATOM 0 HG22 ILE B 863 -6.661 28.749 15.755 1.00 31.11 H new ATOM 0 HG23 ILE B 863 -7.165 30.230 16.004 1.00 31.11 H new ATOM 0 HD11 ILE B 863 -10.210 31.922 14.610 1.00 44.33 H new ATOM 0 HD12 ILE B 863 -8.974 31.602 15.547 1.00 44.33 H new ATOM 0 HD13 ILE B 863 -8.744 31.907 14.010 1.00 44.33 H new ATOM 2905 N PHE B 864 -5.660 27.915 13.104 1.00 24.86 N ATOM 2906 CA PHE B 864 -4.302 27.242 13.231 1.00 24.99 C ATOM 2907 C PHE B 864 -3.270 28.000 12.372 1.00 23.17 C ATOM 2908 O PHE B 864 -2.193 28.426 12.817 1.00 23.87 O ATOM 2909 CB PHE B 864 -4.469 25.794 12.801 1.00 24.17 C ATOM 2910 CG PHE B 864 -3.147 25.083 12.637 1.00 26.53 C ATOM 2911 CD1 PHE B 864 -2.292 24.918 13.745 1.00 24.46 C ATOM 2912 CD2 PHE B 864 -2.691 24.758 11.364 1.00 28.14 C ATOM 2913 CE1 PHE B 864 -1.035 24.302 13.576 1.00 25.37 C ATOM 2914 CE2 PHE B 864 -1.440 24.198 11.175 1.00 27.85 C ATOM 2915 CZ PHE B 864 -0.599 23.961 12.270 1.00 22.48 C ATOM 0 H PHE B 864 -6.301 27.417 12.821 1.00 24.86 H new ATOM 0 HA PHE B 864 -3.973 27.260 14.143 1.00 24.99 H new ATOM 0 HB2 PHE B 864 -5.006 25.324 13.458 1.00 24.17 H new ATOM 0 HB3 PHE B 864 -4.956 25.763 11.963 1.00 24.17 H new ATOM 0 HD1 PHE B 864 -2.556 25.215 14.586 1.00 24.46 H new ATOM 0 HD2 PHE B 864 -3.236 24.920 10.628 1.00 28.14 H new ATOM 0 HE1 PHE B 864 -0.497 24.121 14.313 1.00 25.37 H new ATOM 0 HE2 PHE B 864 -1.156 23.978 10.317 1.00 27.85 H new ATOM 0 HZ PHE B 864 0.241 23.582 12.141 1.00 22.48 H new ATOM 2916 N GLU B 865 -3.647 28.242 11.116 1.00 24.83 N ATOM 2917 CA GLU B 865 -2.685 28.765 10.121 1.00 26.09 C ATOM 2918 C GLU B 865 -2.286 30.191 10.415 1.00 29.34 C ATOM 2919 O GLU B 865 -1.150 30.511 10.262 1.00 26.80 O ATOM 2920 CB GLU B 865 -3.212 28.640 8.641 1.00 27.88 C ATOM 2921 CG GLU B 865 -3.441 27.222 8.081 1.00 32.27 C ATOM 2922 CD GLU B 865 -2.186 26.324 7.913 1.00 35.48 C ATOM 2923 OE1 GLU B 865 -1.061 26.860 8.044 1.00 36.83 O ATOM 2924 OE2 GLU B 865 -2.335 25.083 7.674 1.00 30.84 O ATOM 0 H GLU B 865 -4.443 28.115 10.815 1.00 24.83 H new ATOM 0 HA GLU B 865 -1.897 28.205 10.200 1.00 26.09 H new ATOM 0 HB2 GLU B 865 -4.050 29.124 8.581 1.00 27.88 H new ATOM 0 HB3 GLU B 865 -2.581 29.092 8.060 1.00 27.88 H new ATOM 0 HG2 GLU B 865 -4.065 26.763 8.665 1.00 32.27 H new ATOM 0 HG3 GLU B 865 -3.871 27.305 7.216 1.00 32.27 H new ATOM 2925 N LYS B 866 -3.197 31.038 10.908 1.00 29.86 N ATOM 2926 CA LYS B 866 -2.822 32.406 11.315 1.00 33.05 C ATOM 2927 C LYS B 866 -1.951 32.386 12.529 1.00 28.32 C ATOM 2928 O LYS B 866 -1.072 33.208 12.657 1.00 28.04 O ATOM 2929 CB LYS B 866 -4.035 33.256 11.755 1.00 38.48 C ATOM 2930 CG LYS B 866 -4.841 33.879 10.666 1.00 52.76 C ATOM 2931 CD LYS B 866 -6.155 34.447 11.238 1.00 62.27 C ATOM 2932 CE LYS B 866 -6.879 35.341 10.242 1.00 61.91 C ATOM 2933 NZ LYS B 866 -7.413 34.589 9.082 1.00 54.47 N ATOM 0 H LYS B 866 -4.028 30.846 11.015 1.00 29.86 H new ATOM 0 HA LYS B 866 -2.387 32.778 10.532 1.00 33.05 H new ATOM 0 HB2 LYS B 866 -4.623 32.695 12.285 1.00 38.48 H new ATOM 0 HB3 LYS B 866 -3.715 33.962 12.338 1.00 38.48 H new ATOM 0 HG2 LYS B 866 -4.332 34.587 10.242 1.00 52.76 H new ATOM 0 HG3 LYS B 866 -5.036 33.220 9.981 1.00 52.76 H new ATOM 0 HD2 LYS B 866 -6.737 33.715 11.495 1.00 62.27 H new ATOM 0 HD3 LYS B 866 -5.963 34.952 12.043 1.00 62.27 H new ATOM 0 HE2 LYS B 866 -7.608 35.795 10.692 1.00 61.91 H new ATOM 0 HE3 LYS B 866 -6.270 36.026 9.926 1.00 61.91 H new ATOM 0 HZ1 LYS B 866 -7.736 35.160 8.481 1.00 54.47 H new ATOM 0 HZ2 LYS B 866 -6.761 34.109 8.713 1.00 54.47 H new ATOM 0 HZ3 LYS B 866 -8.063 34.046 9.354 1.00 54.47 H new ATOM 2934 N ASN B 867 -2.239 31.514 13.489 1.00 28.92 N ATOM 2935 CA ASN B 867 -1.360 31.510 14.704 1.00 27.18 C ATOM 2936 C ASN B 867 0.015 30.936 14.360 1.00 24.36 C ATOM 2937 O ASN B 867 1.004 31.383 14.908 1.00 26.63 O ATOM 2938 CB ASN B 867 -2.018 30.766 15.883 1.00 28.84 C ATOM 2939 CG ASN B 867 -3.091 31.627 16.570 1.00 28.37 C ATOM 2940 OD1 ASN B 867 -2.776 32.521 17.318 1.00 31.18 O ATOM 2941 ND2 ASN B 867 -4.313 31.378 16.271 1.00 27.83 N ATOM 0 H ASN B 867 -2.885 30.947 13.482 1.00 28.92 H new ATOM 0 HA ASN B 867 -1.238 32.428 14.994 1.00 27.18 H new ATOM 0 HB2 ASN B 867 -2.419 29.943 15.563 1.00 28.84 H new ATOM 0 HB3 ASN B 867 -1.339 30.518 16.529 1.00 28.84 H new ATOM 0 HD21 ASN B 867 -4.944 31.856 16.607 1.00 27.83 H new ATOM 0 HD22 ASN B 867 -4.502 30.733 15.734 1.00 27.83 H new ATOM 2942 N PHE B 868 0.056 29.941 13.469 1.00 26.05 N ATOM 2943 CA PHE B 868 1.349 29.373 12.996 1.00 24.28 C ATOM 2944 C PHE B 868 2.240 30.447 12.388 1.00 27.56 C ATOM 2945 O PHE B 868 3.358 30.575 12.773 1.00 27.05 O ATOM 2946 CB PHE B 868 1.042 28.240 12.021 1.00 27.20 C ATOM 2947 CG PHE B 868 2.255 27.625 11.350 1.00 27.01 C ATOM 2948 CD1 PHE B 868 3.290 27.041 12.122 1.00 26.28 C ATOM 2949 CD2 PHE B 868 2.358 27.620 9.944 1.00 31.60 C ATOM 2950 CE1 PHE B 868 4.412 26.488 11.509 1.00 28.76 C ATOM 2951 CE2 PHE B 868 3.491 27.048 9.340 1.00 36.93 C ATOM 2952 CZ PHE B 868 4.513 26.487 10.134 1.00 27.00 C ATOM 0 H PHE B 868 -0.641 29.576 13.122 1.00 26.05 H new ATOM 0 HA PHE B 868 1.852 29.015 13.745 1.00 24.28 H new ATOM 0 HB2 PHE B 868 0.564 27.543 12.497 1.00 27.20 H new ATOM 0 HB3 PHE B 868 0.445 28.575 11.334 1.00 27.20 H new ATOM 0 HD1 PHE B 868 3.219 27.027 13.049 1.00 26.28 H new ATOM 0 HD2 PHE B 868 1.684 27.991 9.422 1.00 31.60 H new ATOM 0 HE1 PHE B 868 5.092 26.120 12.026 1.00 28.76 H new ATOM 0 HE2 PHE B 868 3.567 27.039 8.413 1.00 36.93 H new ATOM 0 HZ PHE B 868 5.261 26.113 9.727 1.00 27.00 H new ATOM 2953 N ARG B 869 1.724 31.242 11.437 1.00 28.93 N ATOM 2954 CA ARG B 869 2.511 32.386 10.868 1.00 32.68 C ATOM 2955 C ARG B 869 2.921 33.439 11.914 1.00 32.86 C ATOM 2956 O ARG B 869 4.030 33.988 11.921 1.00 36.58 O ATOM 2957 CB ARG B 869 1.751 33.041 9.661 1.00 33.22 C ATOM 2958 CG ARG B 869 1.537 32.071 8.512 1.00 33.98 C ATOM 2959 CD ARG B 869 0.858 32.712 7.290 1.00 38.45 C ATOM 2960 NE ARG B 869 -0.406 33.389 7.635 1.00 40.66 N ATOM 2961 CZ ARG B 869 -1.624 32.879 7.502 1.00 43.31 C ATOM 2962 NH1 ARG B 869 -1.838 31.633 7.040 1.00 44.00 N ATOM 2963 NH2 ARG B 869 -2.661 33.611 7.879 1.00 46.06 N ATOM 0 H ARG B 869 0.936 31.149 11.105 1.00 28.93 H new ATOM 0 HA ARG B 869 3.343 32.006 10.544 1.00 32.68 H new ATOM 0 HB2 ARG B 869 0.891 33.372 9.965 1.00 33.22 H new ATOM 0 HB3 ARG B 869 2.254 33.807 9.344 1.00 33.22 H new ATOM 0 HG2 ARG B 869 2.394 31.705 8.243 1.00 33.98 H new ATOM 0 HG3 ARG B 869 0.996 31.328 8.821 1.00 33.98 H new ATOM 0 HD2 ARG B 869 1.464 33.352 6.886 1.00 38.45 H new ATOM 0 HD3 ARG B 869 0.684 32.028 6.625 1.00 38.45 H new ATOM 0 HE ARG B 869 -0.349 34.187 7.951 1.00 40.66 H new ATOM 0 HH11 ARG B 869 -1.172 31.136 6.819 1.00 44.00 H new ATOM 0 HH12 ARG B 869 -2.641 31.334 6.966 1.00 44.00 H new ATOM 0 HH21 ARG B 869 -2.537 34.398 8.202 1.00 46.06 H new ATOM 0 HH22 ARG B 869 -3.459 33.299 7.801 1.00 46.06 H new ATOM 2964 N ASN B 870 2.051 33.727 12.847 1.00 32.48 N ATOM 2965 CA ASN B 870 2.431 34.654 13.889 1.00 33.74 C ATOM 2966 C ASN B 870 3.486 34.125 14.826 1.00 35.10 C ATOM 2967 O ASN B 870 4.470 34.800 15.121 1.00 34.79 O ATOM 2968 CB ASN B 870 1.206 34.978 14.706 1.00 37.20 C ATOM 2969 CG ASN B 870 1.422 36.149 15.601 1.00 50.78 C ATOM 2970 OD1 ASN B 870 1.420 36.021 16.835 1.00 67.46 O ATOM 2971 ND2 ASN B 870 1.653 37.301 15.001 1.00 61.94 N ATOM 0 H ASN B 870 1.254 33.409 12.901 1.00 32.48 H new ATOM 0 HA ASN B 870 2.806 35.431 13.446 1.00 33.74 H new ATOM 0 HB2 ASN B 870 0.461 35.160 14.112 1.00 37.20 H new ATOM 0 HB3 ASN B 870 0.961 34.206 15.239 1.00 37.20 H new ATOM 0 HD21 ASN B 870 1.811 38.005 15.469 1.00 61.94 H new ATOM 0 HD22 ASN B 870 1.645 37.348 14.142 1.00 61.94 H new ATOM 2972 N ILE B 871 3.269 32.918 15.353 1.00 33.38 N ATOM 2973 CA ILE B 871 4.179 32.388 16.415 1.00 32.45 C ATOM 2974 C ILE B 871 5.590 32.164 15.844 1.00 29.35 C ATOM 2975 O ILE B 871 6.568 32.474 16.503 1.00 32.76 O ATOM 2976 CB ILE B 871 3.593 31.107 17.048 1.00 33.40 C ATOM 2977 CG1 ILE B 871 2.341 31.489 17.825 1.00 35.58 C ATOM 2978 CG2 ILE B 871 4.605 30.424 18.008 1.00 37.05 C ATOM 2979 CD1 ILE B 871 1.385 30.311 18.028 1.00 34.77 C ATOM 0 H ILE B 871 2.626 32.394 15.128 1.00 33.38 H new ATOM 0 HA ILE B 871 4.254 33.045 17.125 1.00 32.45 H new ATOM 0 HB ILE B 871 3.388 30.476 16.340 1.00 33.40 H new ATOM 0 HG12 ILE B 871 2.598 31.844 18.690 1.00 35.58 H new ATOM 0 HG13 ILE B 871 1.877 32.199 17.354 1.00 35.58 H new ATOM 0 HG21 ILE B 871 4.204 29.626 18.386 1.00 37.05 H new ATOM 0 HG22 ILE B 871 5.405 30.182 17.516 1.00 37.05 H new ATOM 0 HG23 ILE B 871 4.838 31.037 18.722 1.00 37.05 H new ATOM 0 HD11 ILE B 871 0.607 30.607 18.526 1.00 34.77 H new ATOM 0 HD12 ILE B 871 1.104 29.969 17.165 1.00 34.77 H new ATOM 0 HD13 ILE B 871 1.837 29.609 18.522 1.00 34.77 H new ATOM 2980 N PHE B 872 5.682 31.649 14.617 1.00 30.78 N ATOM 2981 CA PHE B 872 6.984 31.329 13.955 1.00 29.48 C ATOM 2982 C PHE B 872 7.483 32.432 13.006 1.00 37.71 C ATOM 2983 O PHE B 872 8.424 32.215 12.228 1.00 43.20 O ATOM 2984 CB PHE B 872 6.896 29.998 13.208 1.00 32.22 C ATOM 2985 CG PHE B 872 6.812 28.787 14.135 1.00 31.40 C ATOM 2986 CD1 PHE B 872 7.956 28.225 14.658 1.00 32.95 C ATOM 2987 CD2 PHE B 872 5.598 28.254 14.530 1.00 34.09 C ATOM 2988 CE1 PHE B 872 7.912 27.103 15.490 1.00 27.30 C ATOM 2989 CE2 PHE B 872 5.533 27.122 15.353 1.00 32.02 C ATOM 2990 CZ PHE B 872 6.710 26.554 15.844 1.00 30.23 C ATOM 0 H PHE B 872 4.996 31.469 14.131 1.00 30.78 H new ATOM 0 HA PHE B 872 7.636 31.264 14.670 1.00 29.48 H new ATOM 0 HB2 PHE B 872 6.117 30.010 12.631 1.00 32.22 H new ATOM 0 HB3 PHE B 872 7.673 29.905 12.634 1.00 32.22 H new ATOM 0 HD1 PHE B 872 8.780 28.603 14.452 1.00 32.95 H new ATOM 0 HD2 PHE B 872 4.809 28.655 14.244 1.00 34.09 H new ATOM 0 HE1 PHE B 872 8.703 26.728 15.804 1.00 27.30 H new ATOM 0 HE2 PHE B 872 4.709 26.750 15.571 1.00 32.02 H new ATOM 0 HZ PHE B 872 6.677 25.812 16.404 1.00 30.23 H new ATOM 2991 N ALA B 873 6.833 33.600 13.059 1.00 35.00 N ATOM 2992 CA ALA B 873 7.142 34.756 12.202 1.00 38.80 C ATOM 2993 C ALA B 873 7.316 34.450 10.736 1.00 38.32 C ATOM 2994 O ALA B 873 8.346 34.768 10.151 1.00 40.27 O ATOM 2995 CB ALA B 873 8.357 35.452 12.761 1.00 39.66 C ATOM 0 H ALA B 873 6.186 33.747 13.606 1.00 35.00 H new ATOM 0 HA ALA B 873 6.363 35.333 12.223 1.00 38.80 H new ATOM 0 HB1 ALA B 873 8.575 36.218 12.207 1.00 39.66 H new ATOM 0 HB2 ALA B 873 8.172 35.750 13.665 1.00 39.66 H new ATOM 0 HB3 ALA B 873 9.107 34.837 12.771 1.00 39.66 H new ATOM 2996 N ILE B 874 6.338 33.775 10.138 1.00 40.48 N ATOM 2997 CA ILE B 874 6.478 33.287 8.757 1.00 44.70 C ATOM 2998 C ILE B 874 6.200 34.501 7.878 1.00 52.62 C ATOM 2999 O ILE B 874 5.282 35.251 8.200 1.00 48.27 O ATOM 3000 CB ILE B 874 5.445 32.202 8.395 1.00 46.64 C ATOM 3001 CG1 ILE B 874 5.561 30.978 9.320 1.00 49.71 C ATOM 3002 CG2 ILE B 874 5.542 31.786 6.918 1.00 47.93 C ATOM 3003 CD1 ILE B 874 6.633 30.018 8.947 1.00 53.61 C ATOM 0 H ILE B 874 5.585 33.587 10.509 1.00 40.48 H new ATOM 0 HA ILE B 874 7.357 32.894 8.639 1.00 44.70 H new ATOM 0 HB ILE B 874 4.568 32.595 8.530 1.00 46.64 H new ATOM 0 HG12 ILE B 874 5.720 31.286 10.226 1.00 49.71 H new ATOM 0 HG13 ILE B 874 4.712 30.510 9.325 1.00 49.71 H new ATOM 0 HG21 ILE B 874 4.878 31.104 6.729 1.00 47.93 H new ATOM 0 HG22 ILE B 874 5.381 32.558 6.353 1.00 47.93 H new ATOM 0 HG23 ILE B 874 6.428 31.433 6.738 1.00 47.93 H new ATOM 0 HD11 ILE B 874 6.640 29.280 9.576 1.00 53.61 H new ATOM 0 HD12 ILE B 874 6.468 29.679 8.053 1.00 53.61 H new ATOM 0 HD13 ILE B 874 7.492 30.468 8.968 1.00 53.61 H new ATOM 3004 N GLN B 875 6.982 34.694 6.810 1.00 60.91 N ATOM 3005 CA GLN B 875 6.715 35.713 5.763 1.00 73.21 C ATOM 3006 C GLN B 875 5.197 35.805 5.371 1.00 92.82 C ATOM 3007 O GLN B 875 4.478 34.780 5.385 1.00 98.03 O ATOM 3008 CB GLN B 875 7.571 35.409 4.513 1.00 72.20 C ATOM 3009 CG GLN B 875 7.273 34.062 3.810 1.00 77.84 C ATOM 3010 CD GLN B 875 7.392 34.115 2.271 1.00 84.24 C ATOM 3011 OE1 GLN B 875 8.212 34.850 1.720 1.00 87.32 O ATOM 3012 NE2 GLN B 875 6.578 33.323 1.578 1.00 82.09 N ATOM 0 H GLN B 875 7.694 34.234 6.665 1.00 60.91 H new ATOM 0 HA GLN B 875 6.959 36.576 6.133 1.00 73.21 H new ATOM 0 HB2 GLN B 875 7.444 36.125 3.872 1.00 72.20 H new ATOM 0 HB3 GLN B 875 8.506 35.421 4.770 1.00 72.20 H new ATOM 0 HG2 GLN B 875 7.884 33.389 4.149 1.00 77.84 H new ATOM 0 HG3 GLN B 875 6.377 33.776 4.046 1.00 77.84 H new ATOM 0 HE21 GLN B 875 6.015 32.820 1.989 1.00 82.09 H new ATOM 0 HE22 GLN B 875 6.615 33.314 0.719 1.00 82.09 H new ATOM 3013 N GLU B 876 4.705 37.015 5.062 1.00 99.81 N ATOM 3014 CA GLU B 876 3.304 37.207 4.603 1.00102.27 C ATOM 3015 C GLU B 876 3.249 37.222 3.068 1.00105.29 C ATOM 3016 O GLU B 876 3.894 36.395 2.400 1.00 97.31 O ATOM 3017 CB GLU B 876 2.679 38.484 5.185 1.00 93.51 C ATOM 0 H GLU B 876 5.162 37.742 5.110 1.00 99.81 H new ATOM 0 HA GLU B 876 2.779 36.460 4.930 1.00102.27 H new TER 3018 GLU B 876 HETATM 3019 ZN ZN A 901 19.410 7.881 4.212 1.00 29.98 ZN2+ HETATM 3020 ZN ZN A 902 22.606 -6.358 2.735 1.00 35.03 ZN2+ HETATM 3021 ZN ZN A 903 34.934 -20.598 14.627 0.43 82.73 ZN2+ HETATM 3022 O1 MES A 904 19.265 32.345 23.515 0.59 45.55 O HETATM 3023 C2 MES A 904 18.790 31.940 24.785 0.59 41.32 C HETATM 3024 C3 MES A 904 18.968 30.440 24.842 0.59 42.77 C HETATM 3025 N4 MES A 904 17.991 29.804 23.948 0.59 39.53 N HETATM 3026 C5 MES A 904 18.202 30.298 22.561 0.59 39.46 C HETATM 3027 C6 MES A 904 18.569 31.787 22.397 0.59 40.79 C HETATM 3028 C7 MES A 904 18.008 28.294 23.985 0.59 38.75 C HETATM 3029 C8 MES A 904 18.152 27.649 25.368 0.59 35.78 C HETATM 3030 S MES A 904 17.418 26.128 25.585 0.59 34.71 S HETATM 3031 O1S MES A 904 18.173 25.363 26.608 0.59 38.52 O HETATM 3032 O2S MES A 904 17.368 25.384 24.321 0.59 32.30 O HETATM 3033 O3S MES A 904 16.021 26.358 26.087 0.59 30.39 O HETATM 0 HN4 MES A 904 17.211 30.028 24.233 0.59 39.53 H new HETATM 0 H82 MES A 904 19.098 27.559 25.563 0.59 35.78 H new HETATM 0 H81 MES A 904 17.784 28.259 26.026 0.59 35.78 H new HETATM 0 H72 MES A 904 17.187 27.971 23.582 0.59 38.75 H new HETATM 0 H71 MES A 904 18.739 27.984 23.427 0.59 38.75 H new HETATM 0 H62 MES A 904 17.757 32.296 22.248 0.59 40.79 H new HETATM 0 H61 MES A 904 19.117 31.889 21.603 0.59 40.79 H new HETATM 0 H52 MES A 904 18.906 29.768 22.156 0.59 39.46 H new HETATM 0 H51 MES A 904 17.392 30.129 22.054 0.59 39.46 H new HETATM 0 H32 MES A 904 19.870 30.200 24.577 0.59 42.77 H new HETATM 0 H31 MES A 904 18.846 30.123 25.751 0.59 42.77 H new HETATM 0 H22 MES A 904 19.287 32.375 25.496 0.59 41.32 H new HETATM 0 H21 MES A 904 17.858 32.183 24.900 0.59 41.32 H new HETATM 3034 C1 EDO A 905 31.783 -0.528 31.969 1.00 74.62 C HETATM 3035 O1 EDO A 905 30.405 -0.111 31.935 1.00 73.75 O HETATM 3036 C2 EDO A 905 31.915 -1.985 32.384 1.00 70.34 C HETATM 3037 O2 EDO A 905 33.106 -2.597 31.830 1.00 60.72 O HETATM 0 HO2 EDO A 905 33.151 -3.398 32.078 1.00 60.72 H new HETATM 0 HO1 EDO A 905 30.049 -0.376 31.222 1.00 73.75 H new HETATM 0 H22 EDO A 905 31.941 -2.044 33.352 1.00 70.34 H new HETATM 0 H21 EDO A 905 31.132 -2.477 32.091 1.00 70.34 H new HETATM 0 H12 EDO A 905 32.182 -0.402 31.094 1.00 74.62 H new HETATM 0 H11 EDO A 905 32.276 0.032 32.589 1.00 74.62 H new HETATM 3038 ZN ZN B 901 -10.290 25.289 31.043 1.00 25.76 ZN2+ HETATM 3039 ZN ZN B 902 0.956 34.601 32.259 1.00 30.52 ZN2+ HETATM 3040 C1 EDO B 903 12.907 26.604 28.743 1.00 64.68 C HETATM 3041 O1 EDO B 903 11.573 26.268 29.128 1.00 51.24 O HETATM 3042 C2 EDO B 903 13.077 26.535 27.229 1.00 63.28 C HETATM 3043 O2 EDO B 903 12.084 27.317 26.547 1.00 57.01 O HETATM 0 HO2 EDO B 903 11.415 27.418 27.045 1.00 57.01 H new HETATM 0 HO1 EDO B 903 11.319 26.784 29.740 1.00 51.24 H new HETATM 0 H22 EDO B 903 13.961 26.852 26.988 1.00 63.28 H new HETATM 0 H21 EDO B 903 13.018 25.612 26.938 1.00 63.28 H new HETATM 0 H12 EDO B 903 13.121 27.497 29.055 1.00 64.68 H new HETATM 0 H11 EDO B 903 13.532 25.997 29.169 1.00 64.68 H new HETATM 3044 O HOH A1001 16.367 23.519 27.133 1.00141.88 O HETATM 3045 O HOH A1002 19.711 25.295 33.314 1.00 63.40 O HETATM 3046 O HOH A1003 45.021 1.165 23.284 1.00 44.73 O HETATM 3047 O HOH A1004 19.259 -0.269 27.472 1.00 56.60 O HETATM 3048 O HOH A1005 34.903 4.975 6.841 1.00 42.80 O HETATM 3049 O HOH A1006 18.903 5.358 28.979 1.00 42.96 O HETATM 3050 O HOH A1007 16.873 -1.889 9.638 1.00 44.44 O HETATM 3051 O HOH A1008 16.169 15.702 34.717 1.00 53.71 O HETATM 3052 O HOH A1009 26.165 18.470 36.250 1.00 61.72 O HETATM 3053 O HOH A1010 13.850 4.813 26.764 1.00 63.82 O HETATM 3054 O HOH A1011 39.403 -10.160 24.652 1.00 42.25 O HETATM 3055 O HOH A1012 19.643 16.138 34.051 1.00 46.98 O HETATM 3056 O HOH A1013 29.503 -8.404 34.050 1.00109.82 O HETATM 3057 O HOH A1014 24.795 -1.407 -4.993 1.00 62.23 O HETATM 3058 O HOH A1015 30.955 21.294 13.463 1.00 37.90 O HETATM 3059 O HOH A1016 14.848 -4.817 -6.559 1.00 51.70 O HETATM 3060 O HOH A1017 30.356 -5.789 -1.023 1.00 67.56 O HETATM 3061 O HOH A1018 34.789 -1.441 8.061 1.00 29.76 O HETATM 3062 O BHOH A1019 19.063 12.619 29.793 0.64 30.76 O HETATM 3063 O HOH A1020 10.865 6.491 25.559 1.00 52.57 O HETATM 3064 O HOH A1021 19.520 -11.416 2.360 1.00 51.78 O HETATM 3065 O HOH A1022 30.876 6.773 -0.737 1.00 55.60 O HETATM 3066 O HOH A1023 17.208 27.453 32.290 1.00 60.46 O HETATM 3067 O HOH A1024 46.101 -7.147 17.919 1.00 57.59 O HETATM 3068 O HOH A1025 26.557 -3.817 28.745 1.00 32.60 O HETATM 3069 O HOH A1026 36.262 0.702 30.285 1.00 57.46 O HETATM 3070 O HOH A1027 23.003 -9.118 26.719 1.00 51.29 O HETATM 3071 O HOH A1028 33.043 23.490 30.404 1.00 74.04 O HETATM 3072 O HOH A1029 31.512 -9.785 21.183 1.00 37.21 O HETATM 3073 O HOH A1030 19.018 26.740 17.987 1.00 71.12 O HETATM 3074 O HOH A1031 29.284 15.001 30.910 1.00 39.98 O HETATM 3075 O HOH A1032 25.703 22.287 14.514 1.00 36.30 O HETATM 3076 O BHOH A1033 21.055 8.425 29.528 0.92 51.22 O HETATM 3077 O HOH A1034 20.824 34.223 24.192 1.00 63.56 O HETATM 3078 O HOH A1035 29.735 -17.090 27.490 1.00 61.56 O HETATM 3079 O HOH A1036 14.682 10.786 8.263 1.00 47.35 O HETATM 3080 O HOH A1037 18.823 11.220 -2.592 1.00 41.74 O HETATM 3081 O HOH A1038 32.452 21.886 20.288 1.00 29.59 O HETATM 3082 O HOH A1039 14.794 4.314 23.427 1.00 37.05 O HETATM 3083 O HOH A1040 15.456 3.087 16.761 1.00 35.98 O HETATM 3084 O HOH A1041 35.406 10.212 25.709 1.00 28.94 O HETATM 3085 O HOH A1042 28.999 0.313 -4.851 1.00 52.90 O HETATM 3086 O HOH A1043 24.891 27.615 29.067 1.00 27.74 O HETATM 3087 O HOH A1044 14.547 1.155 7.830 1.00 50.62 O HETATM 3088 O HOH A1045 24.236 -13.552 22.183 1.00 29.25 O HETATM 3089 O HOH A1046 28.819 -16.075 29.767 1.00 47.02 O HETATM 3090 O HOH A1047 28.706 11.311 -4.507 1.00 64.51 O HETATM 3091 O HOH A1048 10.717 1.053 -0.051 1.00100.78 O HETATM 3092 O HOH A1049 28.098 -11.106 0.963 1.00 61.98 O HETATM 3093 O HOH A1050 35.073 17.915 21.846 1.00 40.79 O HETATM 3094 O HOH A1051 20.041 -6.006 -5.473 1.00 67.69 O HETATM 3095 O HOH A1052 37.201 12.983 14.684 1.00 48.48 O HETATM 3096 O HOH A1053 23.135 8.745 -2.028 1.00 33.67 O HETATM 3097 O HOH A1054 29.032 7.170 6.494 1.00 31.69 O HETATM 3098 O HOH A1055 40.127 -7.244 18.657 1.00 40.82 O HETATM 3099 O HOH A1056 24.523 17.916 24.957 1.00 23.78 O HETATM 3100 O HOH A1057 31.974 8.364 28.492 1.00 23.88 O HETATM 3101 O HOH A1058 22.383 17.624 16.000 1.00 33.29 O HETATM 3102 O HOH A1059 23.371 -14.216 33.771 1.00 39.02 O HETATM 3103 O HOH A1060 17.968 -8.204 27.795 1.00 57.58 O HETATM 3104 O HOH A1061 17.437 -12.769 28.268 1.00 56.19 O HETATM 3105 O HOH A1062 37.243 11.566 22.657 1.00 52.13 O HETATM 3106 O HOH A1063 30.411 -21.192 23.396 1.00 29.41 O HETATM 3107 O HOH A1064 25.616 15.663 23.752 1.00 20.03 O HETATM 3108 O HOH A1065 23.290 -13.573 18.140 1.00 73.84 O HETATM 3109 O HOH A1066 27.418 -1.145 31.307 1.00 62.20 O HETATM 3110 O HOH A1067 20.532 3.185 28.739 1.00 53.53 O HETATM 3111 O HOH A1068 7.286 17.270 26.577 1.00 70.81 O HETATM 3112 O HOH A1069 31.686 -10.085 6.896 1.00 42.45 O HETATM 3113 O HOH A1070 30.162 -11.960 15.733 1.00 42.22 O HETATM 3114 O HOH A1071 32.869 6.255 5.383 1.00 53.49 O HETATM 3115 O HOH A1072 13.122 6.329 14.253 1.00 38.27 O HETATM 3116 O HOH A1073 19.984 11.520 12.274 1.00 33.73 O HETATM 3117 O HOH A1074 19.219 -5.619 12.536 1.00 63.47 O HETATM 3118 O HOH A1075 37.530 8.063 25.608 1.00 54.24 O HETATM 3119 O HOH A1076 35.682 -1.848 31.774 1.00 43.52 O HETATM 3120 O HOH A1077 31.593 24.981 29.658 1.00 54.59 O HETATM 3121 O HOH A1078 22.804 -8.079 10.317 1.00 44.79 O HETATM 3122 O HOH A1079 19.867 24.413 24.120 1.00 47.88 O HETATM 3123 O HOH A1080 35.119 3.424 -2.632 1.00 78.09 O HETATM 3124 O HOH A1081 9.418 7.654 3.406 1.00 61.49 O HETATM 3125 O HOH A1082 29.214 -10.708 3.821 1.00 55.26 O HETATM 3126 O HOH A1083 12.246 7.913 16.898 1.00 56.93 O HETATM 3127 O HOH A1084 37.517 8.003 23.056 1.00 29.01 O HETATM 3128 O BHOH A1085 21.076 11.271 28.536 0.62 30.90 O HETATM 3129 O HOH A1086 23.582 -8.011 29.771 1.00 48.42 O HETATM 3130 O HOH A1087 34.073 -13.911 20.854 1.00 59.90 O HETATM 3131 O HOH A1088 15.502 25.742 22.377 1.00 27.73 O HETATM 3132 O HOH A1089 30.841 -11.516 19.287 1.00 58.02 O HETATM 3133 O HOH A1090 40.434 -0.110 10.212 1.00 47.82 O HETATM 3134 O HOH A1091 26.846 -9.530 31.437 1.00 43.24 O HETATM 3135 O HOH A1092 31.336 12.740 9.701 1.00 47.35 O HETATM 3136 O HOH A1093 21.446 -4.961 16.646 1.00 30.08 O HETATM 3137 O HOH A1094 27.070 -8.816 15.866 1.00 40.57 O HETATM 3138 O HOH A1095 9.204 9.720 22.494 1.00 34.86 O HETATM 3139 O HOH A1096 24.029 -11.366 20.526 1.00 56.64 O HETATM 3140 O HOH A1097 31.869 -4.263 33.625 1.00 54.90 O HETATM 3141 O HOH A1098 35.814 11.525 18.704 1.00 39.84 O HETATM 3142 O HOH A1099 20.561 -0.670 29.611 1.00 49.37 O HETATM 3143 O HOH A1100 38.872 -9.472 15.433 1.00 43.26 O HETATM 3144 O HOH A1101 26.288 20.694 31.949 1.00 39.12 O HETATM 3145 O HOH A1102 17.763 1.706 15.771 1.00 23.28 O HETATM 3146 O HOH A1103 30.569 21.997 32.654 1.00 45.56 O HETATM 3147 O HOH A1104 17.609 -3.046 -7.362 1.00 64.36 O HETATM 3148 O HOH A1105 16.364 -0.096 2.711 1.00 35.23 O HETATM 3149 O HOH A1106 30.055 22.370 21.522 1.00 26.60 O HETATM 3150 O HOH A1107 18.115 30.342 28.751 1.00 43.00 O HETATM 3151 O HOH A1108 24.379 17.422 19.117 1.00 22.66 O HETATM 3152 O HOH A1109 32.028 16.685 29.032 1.00 27.68 O HETATM 3153 O HOH A1110 37.479 -2.963 30.443 1.00 42.72 O HETATM 3154 O HOH A1111 25.660 2.820 30.128 1.00 52.18 O HETATM 3155 O HOH A1112 16.884 8.145 11.357 1.00 33.63 O HETATM 3156 O HOH A1113 14.225 -0.242 27.953 1.00 67.77 O HETATM 3157 O HOH A1114 42.041 1.727 14.725 1.00 49.12 O HETATM 3158 O HOH A1115 25.993 -18.524 13.325 1.00 66.61 O HETATM 3159 O HOH A1116 48.331 -0.722 24.405 1.00 53.83 O HETATM 3160 O HOH A1117 17.638 -0.376 17.319 1.00 31.83 O HETATM 3161 O HOH A1118 34.249 4.149 9.167 1.00 28.81 O HETATM 3162 O HOH A1119 36.581 -3.305 9.123 1.00 29.02 O HETATM 3163 O HOH A1120 14.127 4.783 29.648 1.00 66.51 O HETATM 3164 O HOH A1121 40.105 11.868 6.685 1.00 68.22 O HETATM 3165 O HOH A1122 20.094 -6.985 26.176 1.00 43.21 O HETATM 3166 O HOH A1123 13.640 5.926 11.991 1.00 56.21 O HETATM 3167 O HOH A1124 22.046 6.144 32.446 1.00 56.08 O HETATM 3168 O HOH A1125 20.602 -9.276 8.663 1.00 48.93 O HETATM 3169 O HOH A1126 21.880 -4.009 -5.999 1.00 60.92 O HETATM 3170 O HOH A1127 24.554 -2.085 28.043 1.00 25.67 O HETATM 3171 O HOH A1128 40.578 0.064 12.991 1.00 35.40 O HETATM 3172 O HOH A1129 11.424 20.842 26.326 1.00 35.68 O HETATM 3173 O HOH A1130 20.009 19.040 19.962 1.00 37.07 O HETATM 3174 O HOH A1131 25.861 8.100 29.229 1.00 38.78 O HETATM 3175 O HOH A1132 32.025 -16.033 25.152 1.00 62.39 O HETATM 3176 O HOH A1133 21.838 26.422 38.113 1.00 59.03 O HETATM 3177 O HOH A1134 27.933 27.161 28.344 1.00 39.25 O HETATM 3178 O HOH A1135 29.757 -2.834 3.301 1.00 34.34 O HETATM 3179 O HOH A1136 15.612 3.548 10.199 1.00 32.14 O HETATM 3180 O HOH A1137 39.236 -8.634 12.848 1.00 39.90 O HETATM 3181 O HOH A1138 23.213 -10.348 12.456 1.00 55.75 O HETATM 3182 O HOH A1139 28.226 17.130 23.874 1.00 20.21 O HETATM 3183 O HOH A1140 28.327 17.355 34.770 1.00 63.22 O HETATM 3184 O HOH A1141 17.692 -5.380 26.445 1.00 35.80 O HETATM 3185 O HOH A1142 16.668 4.198 30.449 1.00 58.57 O HETATM 3186 O HOH A1143 42.400 -7.165 21.504 1.00 40.32 O HETATM 3187 O HOH A1144 23.481 -10.382 23.434 1.00 68.98 O HETATM 3188 O HOH A1145 24.233 10.495 1.259 1.00 38.15 O HETATM 3189 O HOH A1146 17.067 -1.707 27.616 1.00 76.45 O HETATM 3190 O HOH A1147 32.515 -16.630 22.685 1.00 59.95 O HETATM 3191 O HOH A1148 34.133 -12.091 27.628 1.00 39.76 O HETATM 3192 O HOH A1149 33.781 -14.843 12.075 1.00 45.29 O HETATM 3193 O HOH A1150 39.835 -7.877 25.537 1.00 37.82 O HETATM 3194 O HOH A1151 26.162 11.545 9.147 1.00 45.50 O HETATM 3195 O HOH A1152 39.838 4.973 25.909 1.00 49.71 O HETATM 3196 O HOH A1153 19.545 -7.933 -3.213 1.00 59.58 O HETATM 3197 O HOH A1154 31.600 18.356 31.439 1.00 36.00 O HETATM 3198 O HOH A1155 24.190 15.753 10.387 1.00 47.97 O HETATM 3199 O HOH A1156 34.373 22.847 26.639 1.00 62.22 O HETATM 3200 O HOH A1157 21.164 20.001 22.172 1.00 38.44 O HETATM 3201 O HOH A1158 19.841 -6.334 23.433 1.00 28.80 O HETATM 3202 O HOH A1159 25.669 23.217 34.302 1.00 61.10 O HETATM 3203 O HOH A1160 19.413 27.387 20.785 1.00 71.24 O HETATM 3204 O HOH A1161 24.555 7.328 9.122 1.00 27.01 O HETATM 3205 O HOH A1162 14.908 1.632 23.417 1.00 51.95 O HETATM 3206 O HOH A1163 43.967 3.160 15.469 1.00 63.25 O HETATM 3207 O HOH A1164 34.540 -13.748 9.481 1.00 51.46 O HETATM 3208 O HOH A1165 35.638 -20.685 19.579 1.00 60.15 O HETATM 3209 O HOH A1166 33.189 -12.463 7.182 1.00 55.62 O HETATM 3210 O HOH A1167 38.263 3.377 8.608 1.00 57.17 O HETATM 3211 O HOH A1168 15.288 -4.809 27.411 1.00 53.07 O HETATM 3212 O HOH A1169 34.991 5.855 31.060 1.00 68.41 O HETATM 3213 O HOH A1170 22.016 26.125 24.135 1.00 32.58 O HETATM 3214 O HOH A1171 32.110 -6.593 32.715 1.00 36.66 O HETATM 3215 O HOH A1172 24.303 -8.699 15.410 1.00 47.80 O HETATM 3216 O HOH A1173 20.010 9.381 10.272 1.00 30.36 O HETATM 3217 O HOH A1174 13.053 5.426 20.127 1.00 61.11 O HETATM 3218 O HOH A1175 36.509 -12.507 22.782 1.00 60.51 O HETATM 3219 O HOH A1176 28.956 -7.650 31.330 1.00 34.10 O HETATM 3220 O HOH A1177 27.184 -21.398 10.740 1.00 59.99 O HETATM 3221 O HOH A1178 45.030 -6.179 24.155 1.00 59.11 O HETATM 3222 O HOH A1179 27.037 18.910 30.114 1.00 27.76 O HETATM 3223 O HOH A1180 27.683 -15.231 4.235 1.00 61.72 O HETATM 3224 O HOH A1181 21.686 -13.680 14.982 1.00 60.19 O HETATM 3225 O HOH A1182 27.619 -11.432 33.308 1.00 57.43 O HETATM 3226 O HOH A1183 22.423 18.037 23.570 1.00 30.59 O HETATM 3227 O HOH A1184 22.287 0.113 -6.565 1.00 61.14 O HETATM 3228 O HOH A1185 15.880 28.330 28.262 1.00 41.22 O HETATM 3229 O HOH A1186 33.171 15.258 12.164 1.00 55.37 O HETATM 3230 O HOH A1187 25.315 -12.397 5.011 1.00 58.41 O HETATM 3231 O HOH A1188 32.480 6.075 10.024 1.00 26.46 O HETATM 3232 O HOH A1189 19.629 30.945 27.614 1.00105.72 O HETATM 3233 O HOH A1190 21.808 -9.236 24.270 1.00 82.81 O HETATM 3234 O HOH A1191 21.263 -8.445 29.938 1.00 52.94 O HETATM 3235 O HOH A1192 25.055 9.254 -3.794 1.00 57.82 O HETATM 3236 O HOH A1193 34.871 2.621 29.713 1.00 54.43 O HETATM 3237 O HOH A1194 34.705 21.879 16.495 1.00 59.59 O HETATM 3238 O HOH A1195 28.547 17.718 11.681 1.00 30.93 O HETATM 3239 O HOH A1196 28.523 19.948 13.002 1.00 30.92 O HETATM 3240 O HOH A1197 28.711 -10.435 13.903 1.00 49.86 O HETATM 3241 O HOH A1198 35.302 1.279 -4.183 1.00 69.31 O HETATM 3242 O HOH A1199 38.989 3.403 14.784 1.00 29.66 O HETATM 3243 O HOH A1200 35.542 17.778 15.129 1.00 58.54 O HETATM 3244 O HOH A1201 12.787 -2.767 27.401 1.00 49.62 O HETATM 3245 O HOH A1202 30.548 -13.930 29.950 1.00 49.79 O HETATM 3246 O HOH A1203 33.701 -8.982 34.121 1.00 70.22 O HETATM 3247 O HOH A1204 23.763 18.712 35.999 1.00 54.62 O HETATM 3248 O HOH A1205 25.252 29.762 33.280 1.00 50.50 O HETATM 3249 O HOH A1206 25.393 15.789 20.946 1.00 18.80 O HETATM 3250 O HOH A1207 26.482 5.384 30.704 1.00 52.11 O HETATM 3251 O HOH A1208 42.906 1.644 27.625 1.00 57.16 O HETATM 3252 O HOH A1209 31.334 17.089 12.641 1.00 28.83 O HETATM 3253 O HOH A1210 18.115 -1.085 11.691 1.00 45.32 O HETATM 3254 O HOH A1211 21.394 17.316 12.968 1.00 46.30 O HETATM 3255 O HOH A1212 16.549 22.502 35.519 1.00 67.27 O HETATM 3256 O HOH A1213 15.579 27.355 30.529 1.00 56.35 O HETATM 3257 O HOH A1214 35.909 19.272 18.193 1.00 68.63 O HETATM 3258 O HOH A1215 30.453 23.461 25.931 1.00 43.66 O HETATM 3259 O HOH A1216 44.359 5.494 21.281 1.00 41.42 O HETATM 3260 O HOH A1217 24.318 9.385 30.489 1.00 51.45 O HETATM 3261 O HOH A1218 32.426 3.341 28.866 1.00 38.18 O HETATM 3262 O HOH A1219 37.627 12.576 28.153 1.00 99.72 O HETATM 3263 O HOH A1220 40.691 4.127 21.745 1.00 29.93 O HETATM 3264 O HOH A1221 20.303 -8.689 22.155 1.00 53.39 O HETATM 3265 O HOH A1222 33.834 4.740 2.756 1.00 54.16 O HETATM 3266 O HOH A1223 22.639 20.282 16.789 1.00 57.30 O HETATM 3267 O HOH A1224 22.669 22.689 20.681 1.00 41.20 O HETATM 3268 O HOH A1225 21.501 -13.075 35.964 1.00 64.54 O HETATM 3269 O HOH A1226 10.544 21.165 30.534 1.00 46.53 O HETATM 3270 O HOH A1227 20.989 28.486 22.957 1.00 45.65 O HETATM 3271 O HOH A1228 17.953 28.291 27.846 1.00 96.98 O HETATM 3272 O HOH A1229 39.870 5.147 29.777 1.00 47.63 O HETATM 3273 O HOH A1230 18.505 14.175 34.269 1.00 52.34 O HETATM 3274 O HOH A1231 37.927 -8.321 31.722 1.00 56.54 O HETATM 3275 O HOH A1232 21.385 -9.218 5.846 1.00 49.61 O HETATM 3276 O HOH A1233 28.918 -0.472 -8.314 1.00 66.20 O HETATM 3277 O HOH A1234 35.832 7.971 29.099 1.00 90.56 O HETATM 3278 O HOH A1235 31.323 -5.202 0.960 1.00 63.70 O HETATM 3279 O HOH A1236 33.289 9.228 4.467 1.00 50.80 O HETATM 3280 O HOH A1237 5.837 19.352 30.508 1.00 59.09 O HETATM 3281 O HOH A1238 21.109 31.057 19.653 1.00 50.02 O HETATM 3282 O HOH A1239 18.322 25.020 35.595 1.00 51.67 O HETATM 3283 O HOH A1240 28.777 13.794 8.951 1.00 62.24 O HETATM 3284 O HOH A1241 40.705 3.137 23.932 1.00 53.73 O HETATM 3285 O HOH A1242 30.829 -3.369 -12.805 1.00 49.25 O HETATM 3286 O HOH A1243 31.978 -17.560 26.170 1.00 71.82 O HETATM 3287 O HOH A1244 31.591 14.039 31.847 1.00 41.66 O HETATM 3288 O HOH A1245 31.340 11.238 31.814 1.00 39.97 O HETATM 3289 O HOH A1246 30.052 9.750 33.998 1.00 52.18 O HETATM 3290 O HOH A1247 33.343 1.736 31.222 1.00 58.05 O HETATM 3291 O HOH A1248 13.694 3.523 14.565 1.00 44.56 O HETATM 3292 O HOH A1249 33.713 -14.675 26.799 1.00 56.92 O HETATM 3293 O HOH A1250 27.484 -5.374 31.377 1.00 45.25 O HETATM 3294 O HOH A1251 23.400 -11.739 3.454 1.00 60.85 O HETATM 3295 O HOH A1252 14.713 1.845 12.401 1.00 47.34 O HETATM 3296 O HOH A1253 39.845 10.406 26.063 1.00 58.85 O HETATM 3297 O HOH A1254 24.222 5.575 32.076 1.00 57.15 O HETATM 3298 O HOH A1255 33.848 -12.614 18.724 1.00 56.35 O HETATM 3299 O HOH A1256 22.152 30.680 21.847 1.00 53.59 O HETATM 3300 O HOH A1257 22.834 10.981 3.703 1.00 38.76 O HETATM 3301 O HOH A1258 44.813 5.071 23.567 1.00 53.79 O HETATM 3302 O HOH A1259 34.321 9.958 28.300 1.00 43.91 O HETATM 3303 O HOH A1260 24.340 -12.573 -4.350 1.00 75.28 O HETATM 3304 O HOH A1261 30.019 9.774 30.004 1.00 29.89 O HETATM 3305 O HOH A1262 20.256 12.000 2.187 1.00 58.20 O HETATM 3306 O HOH A1263 34.934 20.430 14.932 1.00 54.72 O HETATM 3307 O HOH A1264 17.695 -10.969 -0.718 1.00 60.15 O HETATM 3308 O HOH A1265 28.827 17.769 31.621 1.00 38.53 O HETATM 3309 O HOH A1266 24.254 -0.968 30.516 1.00 59.73 O HETATM 3310 O HOH A1267 22.877 23.474 17.962 1.00 74.33 O HETATM 3311 O HOH A1268 37.017 15.680 21.361 1.00 57.30 O HETATM 3312 O HOH A1269 37.140 -0.894 -12.251 1.00 47.42 O HETATM 3313 O HOH A1270 14.348 35.475 31.007 1.00 66.23 O HETATM 3314 O HOH A1271 21.272 -12.907 3.921 1.00 71.74 O HETATM 3315 O HOH A1272 24.821 20.680 10.610 1.00 57.76 O HETATM 3316 O HOH A1273 31.495 6.863 7.620 1.00 26.18 O HETATM 3317 O HOH A1274 32.907 9.369 7.276 1.00 50.72 O HETATM 3318 O HOH A1275 13.021 6.611 21.956 1.00 86.74 O HETATM 3319 O HOH A1276 32.608 -19.913 23.178 1.00 54.04 O HETATM 3320 O HOH A1277 28.144 8.035 30.959 1.00 38.35 O HETATM 3321 O HOH A1278 43.633 -8.430 19.412 1.00 53.34 O HETATM 3322 O HOH A1279 18.418 11.443 4.497 1.00 60.01 O HETATM 3323 O HOH A1280 23.960 12.166 5.563 1.00 52.31 O HETATM 3324 O HOH A1281 22.939 2.622 30.759 1.00 71.55 O HETATM 3325 O HOH A1282 10.493 13.792 31.202 1.00 70.97 O HETATM 3326 O HOH A1283 22.621 -8.274 13.096 1.00 66.70 O HETATM 3327 O HOH A1284 18.885 -6.600 29.931 1.00 77.49 O HETATM 3328 O HOH A1285 37.579 13.214 20.112 1.00 60.51 O HETATM 3329 O HOH A1286 34.439 20.280 20.469 1.00 40.02 O HETATM 3330 O HOH A1287 30.762 26.020 26.921 1.00 51.18 O HETATM 3331 O HOH A1288 33.034 -14.904 29.752 1.00 50.67 O HETATM 3332 O HOH A1289 35.308 22.034 23.490 1.00 57.71 O HETATM 3333 O HOH A1290 35.533 15.741 13.489 1.00 67.54 O HETATM 3334 O HOH A1291 31.014 14.764 34.708 1.00 80.39 O HETATM 3335 O HOH A1292 12.794 8.854 31.264 1.00 53.85 O HETATM 3336 O HOH A1293 14.037 1.130 18.224 1.00 65.05 O HETATM 3337 O HOH A1294 22.632 11.070 -0.849 1.00 55.13 O HETATM 3338 O HOH A1295 34.008 23.746 21.478 1.00 53.09 O HETATM 3339 O HOH A1296 33.888 14.964 29.921 1.00 28.41 O HETATM 3340 O HOH A1297 40.701 -7.682 28.460 1.00 60.55 O HETATM 3341 O HOH A1298 20.860 -2.216 -7.704 1.00 64.68 O HETATM 3342 O HOH A1299 14.986 0.393 30.690 1.00 69.46 O HETATM 3343 O HOH A1300 16.522 0.363 13.635 1.00 36.83 O HETATM 3344 O HOH A1301 23.247 11.183 8.490 1.00 44.83 O HETATM 3345 O HOH A1302 16.460 10.486 10.534 1.00 38.96 O HETATM 3346 O HOH A1303 37.124 18.797 23.365 1.00 49.28 O HETATM 3347 O HOH A1304 22.399 13.063 10.592 1.00 48.39 O HETATM 3348 O HOH A1305 40.141 6.821 22.242 1.00 45.54 O HETATM 3349 O HOH A1306 22.168 9.044 8.482 1.00 30.90 O HETATM 3350 O HOH A1307 31.880 5.989 29.894 1.00 33.30 O HETATM 3351 O HOH A1308 25.360 -5.843 30.339 1.00 51.36 O HETATM 3352 O HOH A1309 35.789 -12.095 30.070 1.00 51.57 O HETATM 3353 O HOH A1310 24.163 11.120 -5.454 1.00 65.77 O HETATM 3354 O HOH A1311 34.917 12.378 29.401 1.00 42.59 O HETATM 3355 O HOH A1312 29.902 5.693 31.291 1.00 53.25 O HETATM 3356 O HOH A1313 33.530 17.466 33.444 1.00 57.22 O HETATM 3357 O HOH A1314 19.651 -15.045 2.939 1.00 68.26 O HETATM 3358 O HOH A1315 14.660 7.480 33.168 1.00 56.15 O HETATM 3359 O HOH A1316 8.950 11.794 34.574 1.00 81.11 O HETATM 3360 O HOH B1001 11.539 29.070 26.886 1.00 85.13 O HETATM 3361 O HOH B1002 -13.144 14.172 10.750 1.00 33.44 O HETATM 3362 O HOH B1003 8.880 19.680 5.789 1.00 65.65 O HETATM 3363 O HOH B1004 4.063 17.951 28.360 1.00 43.08 O HETATM 3364 O HOH B1005 -15.718 5.791 13.084 1.00 59.01 O HETATM 3365 O HOH B1006 -6.367 34.853 25.144 1.00 41.42 O HETATM 3366 O HOH B1007 -13.427 30.649 38.659 1.00 47.23 O HETATM 3367 O HOH B1008 -10.349 31.491 18.342 1.00 38.47 O HETATM 3368 O HOH B1009 -5.971 18.401 2.384 1.00 62.64 O HETATM 3369 O HOH B1010 -21.176 13.437 11.809 1.00 52.51 O HETATM 3370 O HOH B1011 -0.009 18.955 35.993 1.00 33.15 O HETATM 3371 O HOH B1012 16.519 26.470 10.547 1.00 74.09 O HETATM 3372 O HOH B1013 19.309 20.306 16.941 1.00 53.04 O HETATM 3373 O HOH B1014 -13.571 21.178 5.259 1.00 58.15 O HETATM 3374 O HOH B1015 -9.172 5.981 15.119 1.00 67.55 O HETATM 3375 O HOH B1016 -12.930 28.932 39.977 1.00 59.31 O HETATM 3376 O HOH B1017 -2.840 17.667 30.209 1.00 63.27 O HETATM 3377 O HOH B1018 -14.281 15.769 23.432 1.00 67.63 O HETATM 3378 O HOH B1019 1.824 9.393 21.863 1.00 53.05 O HETATM 3379 O HOH B1020 14.762 37.296 20.807 1.00 60.29 O HETATM 3380 O HOH B1021 -4.424 7.530 13.593 1.00 69.65 O HETATM 3381 O HOH B1022 3.475 13.225 9.539 1.00 49.70 O HETATM 3382 O HOH B1023 -13.714 31.133 15.527 1.00 50.90 O HETATM 3383 O HOH B1024 10.435 31.755 28.237 1.00 34.97 O HETATM 3384 O HOH B1025 -0.531 35.878 8.239 1.00 69.37 O HETATM 3385 O HOH B1026 -15.691 29.810 18.098 1.00 52.39 O HETATM 3386 O HOH B1027 7.505 22.798 27.026 1.00 31.47 O HETATM 3387 O HOH B1028 -9.540 33.093 11.572 1.00 70.49 O HETATM 3388 O HOH B1029 3.502 19.118 25.922 1.00 34.40 O HETATM 3389 O HOH B1030 -11.919 22.265 22.813 1.00 35.09 O HETATM 3390 O HOH B1031 0.912 11.828 27.578 1.00 45.52 O HETATM 3391 O HOH B1032 -6.547 27.770 6.366 1.00 60.70 O HETATM 3392 O HOH B1033 -11.342 33.506 29.335 1.00 55.29 O HETATM 3393 O HOH B1034 -10.040 7.711 21.642 1.00 48.50 O HETATM 3394 O HOH B1035 11.350 23.826 28.248 1.00 41.80 O HETATM 3395 O HOH B1036 10.633 11.870 13.494 1.00 55.55 O HETATM 3396 O HOH B1037 -5.281 35.068 19.111 1.00 56.45 O HETATM 3397 O HOH B1038 0.648 13.170 9.713 1.00 33.64 O HETATM 3398 O HOH B1039 -21.504 14.674 3.347 1.00 64.19 O HETATM 3399 O HOH B1040 11.088 18.281 25.092 1.00 35.32 O HETATM 3400 O HOH B1041 15.256 24.565 9.170 1.00 45.13 O HETATM 3401 O HOH B1042 -1.515 34.798 21.494 1.00 53.62 O HETATM 3402 O HOH B1043 -19.419 30.232 12.758 1.00 49.15 O HETATM 3403 O HOH B1044 -19.653 22.009 1.736 1.00 81.71 O HETATM 3404 O HOH B1045 1.824 26.605 3.362 1.00 54.22 O HETATM 3405 O HOH B1046 8.080 15.207 5.073 1.00 55.19 O HETATM 3406 O HOH B1047 3.860 20.336 32.660 1.00 39.33 O HETATM 3407 O HOH B1048 14.104 29.706 26.795 1.00 38.90 O HETATM 3408 O HOH B1049 7.572 23.709 29.229 1.00 52.83 O HETATM 3409 O HOH B1050 -8.548 42.599 41.068 0.50 93.63 O HETATM 3410 O HOH B1051 -15.700 25.689 26.854 1.00 46.02 O HETATM 3411 O HOH B1052 -12.271 26.910 23.829 1.00 41.64 O HETATM 3412 O HOH B1053 6.368 24.359 3.787 1.00 59.19 O HETATM 3413 O HOH B1054 14.879 34.045 27.046 1.00 46.68 O HETATM 3414 O HOH B1055 -15.898 31.883 8.940 1.00 62.41 O HETATM 3415 O HOH B1056 -0.510 37.637 38.425 1.00 61.89 O HETATM 3416 O HOH B1057 13.896 25.876 3.406 1.00 67.86 O HETATM 3417 O HOH B1058 4.195 27.191 31.732 1.00 28.68 O HETATM 3418 O HOH B1059 -7.727 22.430 37.173 1.00 30.88 O HETATM 3419 O HOH B1060 2.765 29.363 6.493 1.00 33.01 O HETATM 3420 O HOH B1061 15.661 12.581 12.228 1.00 37.55 O HETATM 3421 O HOH B1062 1.427 19.416 38.589 1.00 65.84 O HETATM 3422 O HOH B1063 10.116 21.901 4.597 1.00 45.58 O HETATM 3423 O HOH B1064 -23.233 15.028 6.871 1.00 54.13 O HETATM 3424 O HOH B1065 -14.764 10.482 20.700 1.00 57.99 O HETATM 3425 O HOH B1066 10.004 23.152 25.993 1.00 23.89 O HETATM 3426 O HOH B1067 11.027 18.125 22.078 1.00 29.22 O HETATM 3427 O HOH B1068 -7.786 31.121 19.338 1.00 28.73 O HETATM 3428 O HOH B1069 -2.499 5.230 9.627 1.00 58.85 O HETATM 3429 O HOH B1070 8.603 34.061 31.178 1.00 66.28 O HETATM 3430 O HOH B1071 -0.104 29.036 6.681 1.00 38.71 O HETATM 3431 O HOH B1072 -13.433 6.693 19.831 1.00 89.34 O HETATM 3432 O HOH B1073 8.514 39.514 29.273 1.00 86.00 O HETATM 3433 O HOH B1074 3.334 24.765 32.791 1.00 35.62 O HETATM 3434 O HOH B1075 -14.140 30.730 20.660 1.00 36.02 O HETATM 3435 O HOH B1076 13.537 38.524 27.294 1.00 41.68 O HETATM 3436 O HOH B1077 -14.369 16.005 19.324 1.00 36.65 O HETATM 3437 O HOH B1078 -0.534 34.056 17.800 1.00 49.13 O HETATM 3438 O HOH B1079 15.722 29.856 19.692 1.00 55.17 O HETATM 3439 O HOH B1080 3.559 13.620 12.083 1.00 40.86 O HETATM 3440 O HOH B1081 -16.283 24.413 35.370 1.00 58.63 O HETATM 3441 O HOH B1082 11.044 15.539 20.587 1.00 47.42 O HETATM 3442 O HOH B1083 -0.874 16.605 6.767 1.00 28.74 O HETATM 3443 O HOH B1084 17.383 35.978 21.129 1.00 54.69 O HETATM 3444 O HOH B1085 8.210 27.923 2.454 1.00 51.37 O HETATM 3445 O HOH B1086 -13.548 30.374 23.397 1.00 53.43 O HETATM 3446 O HOH B1087 -5.546 20.411 5.888 1.00 41.84 O HETATM 3447 O HOH B1088 -12.822 14.932 16.095 1.00 28.28 O HETATM 3448 O HOH B1089 0.019 11.881 16.574 1.00 52.41 O HETATM 3449 O HOH B1090 10.462 38.286 30.965 1.00 66.57 O HETATM 3450 O HOH B1091 -10.204 33.602 27.196 1.00 50.42 O HETATM 3451 O HOH B1092 -6.135 9.909 6.380 1.00 41.72 O HETATM 3452 O HOH B1093 -1.623 12.133 27.246 1.00 63.99 O HETATM 3453 O HOH B1094 -12.561 33.885 25.424 1.00 74.24 O HETATM 3454 O HOH B1095 -14.726 4.529 9.647 1.00 70.81 O HETATM 3455 O HOH B1096 -9.721 23.156 5.945 1.00 55.70 O HETATM 3456 O HOH B1097 12.955 30.393 19.530 1.00 50.64 O HETATM 3457 O HOH B1098 -2.323 19.889 28.682 1.00 23.68 O HETATM 3458 O HOH B1099 4.681 39.325 39.107 1.00 76.50 O HETATM 3459 O HOH B1100 8.986 28.839 41.177 1.00 60.29 O HETATM 3460 O HOH B1101 -8.416 40.520 38.621 1.00 74.62 O HETATM 3461 O HOH B1102 15.102 24.331 16.341 1.00 46.89 O HETATM 3462 O HOH B1103 13.342 31.261 6.983 1.00 68.17 O HETATM 3463 O HOH B1104 -0.271 10.097 20.786 1.00 43.95 O HETATM 3464 O HOH B1105 -16.951 15.965 15.775 1.00 40.38 O HETATM 3465 O HOH B1106 -11.671 31.135 11.479 1.00 39.04 O HETATM 3466 O HOH B1107 -4.285 10.757 23.160 1.00 42.07 O HETATM 3467 O HOH B1108 2.759 37.701 41.260 1.00 61.63 O HETATM 3468 O HOH B1109 1.336 28.556 47.158 1.00 58.23 O HETATM 3469 O HOH B1110 -20.356 9.614 11.761 1.00 58.36 O HETATM 3470 O HOH B1111 11.619 13.230 19.445 1.00 42.53 O HETATM 3471 O HOH B1112 -4.761 14.286 25.371 1.00 37.79 O HETATM 3472 O HOH B1113 5.138 37.406 14.156 1.00 54.38 O HETATM 3473 O HOH B1114 6.768 37.582 30.120 1.00 44.96 O HETATM 3474 O HOH B1115 2.997 36.286 21.891 1.00 71.50 O HETATM 3475 O HOH B1116 -7.995 33.684 32.194 1.00 32.23 O HETATM 3476 O HOH B1117 7.039 14.796 9.389 1.00 49.66 O HETATM 3477 O HOH B1118 -11.264 13.958 -2.682 1.00 51.58 O HETATM 3478 O HOH B1119 -6.814 20.302 38.922 1.00 41.86 O HETATM 3479 O HOH B1120 1.046 18.502 25.144 1.00 23.63 O HETATM 3480 O HOH B1121 -9.768 1.919 9.181 1.00 82.07 O HETATM 3481 O HOH B1122 -9.386 12.425 11.534 1.00 24.42 O HETATM 3482 O HOH B1123 2.406 20.289 6.175 1.00 37.57 O HETATM 3483 O HOH B1124 -14.594 15.859 12.171 1.00 37.79 O HETATM 3484 O HOH B1125 -24.708 20.349 8.950 1.00 31.29 O HETATM 3485 O HOH B1126 -5.917 22.358 26.104 1.00 26.22 O HETATM 3486 O HOH B1127 -10.603 15.237 14.325 1.00 28.46 O HETATM 3487 O HOH B1128 -3.774 10.199 5.392 1.00 41.21 O HETATM 3488 O HOH B1129 -10.797 31.097 24.860 1.00 34.00 O HETATM 3489 O HOH B1130 12.083 43.514 23.394 1.00 64.78 O HETATM 3490 O HOH B1131 -9.429 12.092 23.439 1.00 34.52 O HETATM 3491 O HOH B1132 1.180 40.861 32.446 1.00 59.88 O HETATM 3492 O HOH B1133 -10.763 14.902 11.597 1.00 32.75 O HETATM 3493 O HOH B1134 -7.459 18.231 26.211 1.00 40.63 O HETATM 3494 O HOH B1135 8.579 14.727 13.587 1.00 30.32 O HETATM 3495 O HOH B1136 7.726 16.511 20.278 1.00 29.65 O HETATM 3496 O HOH B1137 -17.025 15.156 13.392 1.00 34.82 O HETATM 3497 O HOH B1138 2.308 11.311 13.736 1.00 50.84 O HETATM 3498 O HOH B1139 7.519 35.323 33.203 1.00 58.74 O HETATM 3499 O HOH B1140 -17.888 30.336 33.046 1.00 51.71 O HETATM 3500 O HOH B1141 6.587 30.793 3.523 1.00 50.47 O HETATM 3501 O HOH B1142 10.862 15.563 5.374 1.00 69.25 O HETATM 3502 O HOH B1143 -16.286 24.261 23.084 1.00 38.07 O HETATM 3503 O HOH B1144 -6.374 32.853 17.769 1.00 29.71 O HETATM 3504 O HOH B1145 2.322 35.952 24.389 1.00 43.76 O HETATM 3505 O HOH B1146 -10.977 10.330 22.060 1.00 29.78 O HETATM 3506 O HOH B1147 -25.272 16.395 3.551 1.00 59.02 O HETATM 3507 O HOH B1148 19.593 18.091 10.512 1.00 62.24 O HETATM 3508 O HOH B1149 -10.947 23.948 24.867 1.00 36.61 O HETATM 3509 O HOH B1150 17.098 22.550 13.958 1.00 40.27 O HETATM 3510 O HOH B1151 -4.682 30.895 6.366 1.00 50.49 O HETATM 3511 O HOH B1152 -11.383 21.356 6.544 1.00 47.30 O HETATM 3512 O HOH B1153 -3.424 22.111 4.610 1.00 57.17 O HETATM 3513 O HOH B1154 -26.967 17.942 7.110 1.00 38.23 O HETATM 3514 O HOH B1155 -5.794 30.538 41.221 1.00 51.24 O HETATM 3515 O HOH B1156 -10.074 35.749 30.877 1.00 59.45 O HETATM 3516 O HOH B1157 0.754 36.738 41.955 1.00 48.33 O HETATM 3517 O HOH B1158 -7.931 20.247 33.996 1.00 30.28 O HETATM 3518 O HOH B1159 -20.055 29.009 31.705 1.00 57.34 O HETATM 3519 O HOH B1160 6.689 28.486 34.668 1.00 42.34 O HETATM 3520 O HOH B1161 8.620 9.473 17.934 1.00 60.33 O HETATM 3521 O HOH B1162 -7.677 37.055 30.610 1.00 57.39 O HETATM 3522 O HOH B1163 1.685 18.271 29.622 1.00 33.99 O HETATM 3523 O HOH B1164 -11.654 16.408 25.185 1.00 48.44 O HETATM 3524 O HOH B1165 -18.643 29.514 18.347 1.00100.70 O HETATM 3525 O HOH B1166 10.239 29.359 28.946 1.00 35.68 O HETATM 3526 O HOH B1167 -6.790 10.676 22.675 1.00 28.56 O HETATM 3527 O HOH B1168 -2.146 25.087 4.617 1.00 55.30 O HETATM 3528 O HOH B1169 11.423 39.938 28.834 1.00 56.65 O HETATM 3529 O HOH B1170 6.968 32.845 37.644 1.00 62.68 O HETATM 3530 O HOH B1171 10.607 28.501 31.017 1.00 72.91 O HETATM 3531 O HOH B1172 1.068 31.592 46.519 1.00 55.64 O HETATM 3532 O HOH B1173 18.020 42.057 16.411 1.00 52.01 O HETATM 3533 O HOH B1174 -10.235 10.657 1.268 1.00 68.12 O HETATM 3534 O HOH B1175 -8.534 8.630 3.905 1.00 73.86 O HETATM 3535 O HOH B1176 -14.820 18.048 22.905 1.00 62.69 O HETATM 3536 O HOH B1177 -4.527 6.870 18.079 1.00 66.20 O HETATM 3537 O HOH B1178 -0.444 35.968 11.244 1.00 45.67 O HETATM 3538 O HOH B1179 11.276 28.861 0.921 1.00 57.92 O HETATM 3539 O HOH B1180 -1.272 36.431 14.021 1.00 72.64 O HETATM 3540 O HOH B1181 2.613 16.624 4.392 1.00 60.00 O HETATM 3541 O HOH B1182 -25.528 20.396 3.996 1.00 42.27 O HETATM 3542 O HOH B1183 -4.470 36.624 24.592 1.00 53.07 O HETATM 3543 O HOH B1184 -11.339 7.318 14.012 1.00 51.42 O HETATM 3544 O HOH B1185 -0.329 7.084 7.527 1.00 65.89 O HETATM 3545 O HOH B1186 -6.321 37.904 28.358 1.00 63.21 O HETATM 3546 O HOH B1187 -17.403 12.781 15.353 1.00 53.85 O HETATM 3547 O HOH B1188 9.325 13.709 29.309 1.00 59.74 O HETATM 3548 O HOH B1189 -4.737 26.218 4.621 1.00 58.03 O HETATM 3549 O HOH B1190 -27.830 25.611 4.851 1.00 61.06 O HETATM 3550 O HOH B1191 -12.318 31.593 8.635 1.00 56.93 O HETATM 3551 O HOH B1192 12.492 15.385 7.620 1.00 66.37 O HETATM 3552 O HOH B1193 1.073 35.079 20.048 1.00 72.45 O HETATM 3553 O HOH B1194 1.814 37.776 28.954 1.00 38.20 O HETATM 3554 O HOH B1195 0.129 9.296 15.448 1.00 44.52 O HETATM 3555 O HOH B1196 4.961 38.460 31.826 1.00 60.76 O HETATM 3556 O HOH B1197 9.263 15.400 11.529 1.00 55.22 O HETATM 3557 O HOH B1198 -21.136 12.988 5.899 1.00 49.21 O HETATM 3558 O HOH B1199 -9.369 4.288 10.945 1.00 87.40 O HETATM 3559 O HOH B1200 -10.266 32.839 22.846 1.00 48.77 O HETATM 3560 O HOH B1201 -5.062 14.645 31.538 1.00 74.85 O HETATM 3561 O HOH B1202 -3.258 16.894 5.421 1.00 39.49 O HETATM 3562 O HOH B1203 7.706 22.098 3.013 1.00 59.19 O HETATM 3563 O HOH B1204 1.348 37.615 26.464 1.00 52.41 O HETATM 3564 O HOH B1205 3.285 10.830 16.530 1.00 51.58 O HETATM 3565 O HOH B1206 -8.078 40.489 35.958 1.00 56.58 O HETATM 3566 O HOH B1207 -7.727 20.092 3.938 1.00 52.15 O HETATM 3567 O HOH B1208 -17.262 29.017 26.275 1.00 63.98 O HETATM 3568 O HOH B1209 -2.936 14.669 27.316 1.00 50.95 O HETATM 3569 O HOH B1210 -9.326 20.737 31.531 1.00 32.28 O HETATM 3570 O HOH B1211 -4.221 39.038 29.773 1.00 58.70 O HETATM 3571 O HOH B1212 -15.675 13.910 18.645 1.00 50.76 O HETATM 3572 O HOH B1213 -11.848 32.454 20.354 1.00 41.87 O HETATM 3573 O HOH B1214 0.430 40.581 30.117 1.00 71.67 O HETATM 3574 O HOH B1215 -10.318 21.451 4.277 1.00 76.91 O HETATM 3575 O HOH B1216 -3.371 14.211 4.054 1.00 53.71 O HETATM 3576 O HOH B1217 8.841 31.306 36.624 1.00 66.25 O HETATM 3577 O HOH B1218 -14.121 30.589 13.239 1.00 64.81 O HETATM 3578 O HOH B1219 14.999 36.544 28.317 1.00 50.46 O HETATM 3579 O HOH B1220 -4.234 8.907 25.306 1.00 47.90 O HETATM 3580 O HOH B1221 9.266 30.420 32.988 1.00 51.29 O HETATM 3581 O HOH B1222 6.383 39.817 33.750 1.00 60.40 O HETATM 3582 O HOH B1223 -14.270 33.836 23.870 1.00 56.01 O HETATM 3583 O HOH B1224 -0.807 15.873 27.746 1.00 44.00 O HETATM 3584 O HOH B1225 -5.729 33.065 23.397 1.00 45.65 O HETATM 3585 O HOH B1226 -3.658 19.200 4.285 1.00 58.42 O HETATM 3586 O HOH B1227 -1.914 40.549 30.011 1.00 84.41 O HETATM 3587 O HOH B1228 -0.337 13.734 6.907 1.00 52.72 O HETATM 3588 O HOH B1229 -21.147 6.172 17.412 1.00 83.91 O HETATM 3589 O HOH B1230 -13.442 9.793 23.046 1.00 64.11 O HETATM 3590 O HOH B1231 13.112 31.998 27.838 1.00 39.22 O HETATM 3591 O HOH B1232 -2.068 36.674 22.975 1.00 51.64 O HETATM 3592 O HOH B1233 -9.866 21.008 35.848 1.00 40.67 O HETATM 3593 O HOH B1234 3.286 30.621 3.926 1.00 54.66 O HETATM 3594 O HOH B1235 16.267 26.881 20.037 1.00 51.74 O HETATM 3595 O HOH B1236 -4.394 28.801 4.881 1.00 59.86 O HETATM 3596 O HOH B1237 -0.200 18.372 27.459 1.00 26.46 O HETATM 3597 O HOH B1238 -7.847 8.245 22.578 1.00 47.77 O HETATM 3598 O HOH B1239 -4.646 16.012 29.148 1.00 49.87 O HETATM 3599 O HOH B1240 -2.108 9.198 27.759 1.00 66.12 O HETATM 3600 O HOH B1241 4.650 10.694 8.619 1.00 70.49 O HETATM 3601 O HOH B1242 -10.216 34.078 16.882 1.00 47.45 O HETATM 3602 O HOH B1243 18.153 31.359 19.410 1.00 84.91 O HETATM 3603 O HOH B1244 -9.283 20.301 26.661 1.00 51.44 O HETATM 3604 O HOH B1245 6.258 13.027 12.916 1.00 46.67 O HETATM 3605 O HOH B1246 -8.830 22.843 26.748 1.00 25.20 O HETATM 3606 O HOH B1247 -3.025 8.929 21.696 1.00 55.02 O HETATM 3607 O HOH B1248 -16.518 31.579 16.139 1.00 68.24 O HETATM 3608 O HOH B1249 -1.415 40.063 41.459 1.00 59.18 O HETATM 3609 O HOH B1250 -1.348 20.469 3.804 1.00 52.01 O HETATM 3610 O HOH B1251 14.521 45.233 21.373 1.00 53.46 O HETATM 3611 O HOH B1252 -7.787 32.897 21.422 1.00 37.35 O HETATM 3612 O HOH B1253 8.853 36.666 36.407 1.00 86.52 O HETATM 3613 O HOH B1254 -11.446 19.639 24.458 1.00 43.16 O HETATM 3614 O HOH B1255 0.702 18.351 5.395 1.00 42.48 O HETATM 3615 O HOH B1256 0.420 34.778 -0.541 1.00 83.57 O HETATM 3616 O HOH B1257 8.280 35.291 38.908 1.00 87.07 O HETATM 3617 O HOH B1258 -4.839 6.910 20.477 1.00 60.09 O HETATM 3618 O HOH B1259 -10.727 34.951 14.212 1.00 76.13 O HETATM 3619 O HOH B1260 19.582 12.818 7.241 1.00 63.46 O HETATM 3620 O HOH B1261 -12.449 35.613 20.265 1.00 67.13 O HETATM 3621 O HOH B1262 -12.820 21.290 28.146 1.00 64.69 O HETATM 3622 O HOH B1263 -7.740 7.276 25.314 1.00 70.69 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 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 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