USER MOD reduce.3.24.130724 H: found=0, std=0, add=2946, rem=0, adj=92 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSCRIPTION 08-FEB-17 5PZG TITLE PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF SP100 AFTER TITLE 2 INITIAL REFINEMENT WITH NO LIGAND MODELLED (STRUCTURE 112) 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 5PZG 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. 1.88 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) : 1.88 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 40.85 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 97.9 REMARK 3 NUMBER OF REFLECTIONS : 35912 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 : 0.199 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.900 REMARK 3 FREE R VALUE TEST SET COUNT : 1869 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) : 1.88 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.93 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2639 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.27 REMARK 3 BIN R VALUE (WORKING SET) : 0.2670 REMARK 3 BIN FREE R VALUE SET COUNT : 139 REMARK 3 BIN FREE R VALUE : 0.3170 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) : 37.93 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.19000 REMARK 3 B22 (A**2) : 0.58000 REMARK 3 B33 (A**2) : 0.47000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.22000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.129 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.122 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.091 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.220 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.970 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.962 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 ; 1.790 ; 1.936 REMARK 3 BOND ANGLES OTHERS (DEGREES): 6681 ; 1.065 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 386 ; 6.298 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 170 ;37.051 ;24.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 574 ;13.313 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 24 ;14.603 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 433 ; 0.125 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 3560 ; 0.009 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 792 ; 0.002 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1452 ; 3.909 ; 3.463 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 1451 ; 3.908 ; 3.458 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1820 ; 5.969 ; 5.158 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 5PZG 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_1001401306. 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 : 37781 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.880 REMARK 200 RESOLUTION RANGE LOW (A) : 40.850 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.2 REMARK 200 DATA REDUNDANCY : 3.400 REMARK 200 R MERGE (I) : 0.05800 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 13.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.88 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.93 REMARK 200 COMPLETENESS FOR SHELL (%) : 98.4 REMARK 200 DATA REDUNDANCY IN SHELL : 3.50 REMARK 200 R MERGE FOR SHELL (I) : 0.58300 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 (%): 55.47 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.76 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M MES PH 6.1 -- 20% PEG20K, PH 7, REMARK 280 VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 63.85500 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 22.77000 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 22.77000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLU A 700 REMARK 465 LYS A 879 REMARK 465 THR B 877 REMARK 465 SER B 878 REMARK 465 LYS B 879 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS A 737 CG CD CE NZ REMARK 470 GLU B 700 CG CD OE1 OE2 REMARK 470 GLU B 756 CG CD OE1 OE2 REMARK 470 SER B 757 OG REMARK 470 GLN B 758 CG CD OE1 NE2 REMARK 470 SER B 759 OG REMARK 470 ARG B 803 CG CD NE CZ NH1 NH2 REMARK 470 GLU B 804 CG CD OE1 OE2 REMARK 470 SER B 806 OG REMARK 470 GLN B 807 CG CD OE1 NE2 REMARK 470 GLU B 876 CG CD OE1 OE2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 NH2 ARG A 803 O HOH A 1001 1.87 REMARK 500 O HOH A 1165 O HOH A 1251 1.90 REMARK 500 O2 EDO B 903 O HOH B 1001 2.02 REMARK 500 NH1 ARG A 829 O HOH A 1002 2.03 REMARK 500 O HOH A 1176 O HOH A 1252 2.04 REMARK 500 O HOH B 1153 O HOH B 1174 2.09 REMARK 500 O HOH B 1005 O HOH B 1016 2.11 REMARK 500 O HOH B 1147 O HOH B 1186 2.13 REMARK 500 O HOH A 1225 O HOH A 1268 2.15 REMARK 500 O HOH A 1096 O HOH A 1281 2.16 REMARK 500 O HOH A 1081 O HOH A 1215 2.16 REMARK 500 O HOH A 1209 O HOH A 1253 2.18 REMARK 500 O HOH A 1172 O HOH A 1251 2.18 REMARK 500 NH1 ARG A 803 O HOH A 1003 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 1245 O HOH B 1245 2555 0.58 REMARK 500 O HOH A 1041 O HOH A 1215 1565 1.90 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 0.092 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 CYS A 742 CA - CB - SG ANGL. DEV. = 7.3 DEGREES REMARK 500 CYS A 754 CA - CB - SG ANGL. DEV. = 7.7 DEGREES REMARK 500 ARG A 829 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES REMARK 500 ARG A 829 NE - CZ - NH2 ANGL. DEV. = -3.9 DEGREES REMARK 500 ARG B 753 NE - CZ - NH2 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 -127.14 -109.44 REMARK 500 LYS A 737 93.84 66.27 REMARK 500 ARG A 849 -111.51 50.57 REMARK 500 ASN B 709 18.13 57.72 REMARK 500 ASN B 738 98.56 -168.50 REMARK 500 PRO B 755 97.08 -62.73 REMARK 500 SER B 757 -172.13 -56.98 REMARK 500 GLN B 758 41.09 -65.18 REMARK 500 TYR B 801 -99.33 -117.40 REMARK 500 GLU B 804 -87.39 -135.29 REMARK 500 ARG B 849 -107.90 51.61 REMARK 500 GLN B 875 134.69 -36.53 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 756 145.55 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 A1317 DISTANCE = 6.06 ANGSTROMS REMARK 525 HOH A1318 DISTANCE = 6.40 ANGSTROMS REMARK 525 HOH B1258 DISTANCE = 5.98 ANGSTROMS REMARK 525 HOH B1259 DISTANCE = 6.32 ANGSTROMS REMARK 525 HOH B1260 DISTANCE = 6.35 ANGSTROMS REMARK 525 HOH B1261 DISTANCE = 6.80 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 901 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 705 SG REMARK 620 2 CYS A 708 SG 112.0 REMARK 620 3 HIS A 725 ND1 99.9 96.6 REMARK 620 4 CYS A 728 SG 112.4 117.8 115.9 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 110.3 REMARK 620 3 CYS A 742 SG 109.8 105.6 REMARK 620 4 CYS A 745 SG 105.2 106.4 119.4 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 903 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 754 SG REMARK 620 2 GLU A 756 OE2 119.6 REMARK 620 N 1 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 115.1 REMARK 620 3 HIS B 725 ND1 105.1 95.9 REMARK 620 4 CYS B 728 SG 112.0 116.1 111.0 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 111.7 REMARK 620 3 CYS B 742 SG 112.0 107.4 REMARK 620 4 CYS B 745 SG 106.2 104.6 114.8 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 5PZG A 700 879 UNP P23497 SP100_HUMAN 700 879 DBREF 5PZG 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 MET A 768 1 7 HELIX 4 AA4 LEU A 772 CYS A 788 1 17 HELIX 5 AA5 ASP A 789 LYS A 791 5 3 HELIX 6 AA6 SER A 792 SER A 797 1 6 HELIX 7 AA7 TRP A 814 GLU A 824 1 11 HELIX 8 AA8 ARG A 829 ARG A 849 1 21 HELIX 9 AA9 PHE A 853 PHE A 872 1 20 HELIX 10 AB1 CYS B 742 GLU B 752 1 11 HELIX 11 AB2 GLN B 762 ARG B 769 1 8 HELIX 12 AB3 LEU B 772 CYS B 788 1 17 HELIX 13 AB4 ASP B 789 LYS B 791 5 3 HELIX 14 AB5 SER B 792 SER B 797 1 6 HELIX 15 AB6 TRP B 814 GLU B 824 1 11 HELIX 16 AB7 ARG B 829 ARG B 849 1 21 HELIX 17 AB8 PHE B 853 PHE B 872 1 20 SHEET 1 AA1 2 LEU A 714 CYS A 716 0 SHEET 2 AA1 2 SER A 723 HIS A 725 -1 O PHE A 724 N PHE A 715 SHEET 1 AA2 2 LEU B 714 CYS B 716 0 SHEET 2 AA2 2 SER B 723 HIS B 725 -1 O PHE B 724 N PHE B 715 LINK SG CYS A 705 ZN ZN A 901 1555 1555 2.22 LINK SG CYS A 708 ZN ZN A 901 1555 1555 2.37 LINK SG CYS A 717 ZN ZN A 902 1555 1555 2.30 LINK SG CYS A 720 ZN ZN A 902 1555 1555 2.25 LINK ND1 HIS A 725 ZN ZN A 901 1555 1555 2.19 LINK SG CYS A 728 ZN ZN A 901 1555 1555 2.23 LINK SG CYS A 742 ZN ZN A 902 1555 1555 2.45 LINK SG CYS A 745 ZN ZN A 902 1555 1555 2.39 LINK SG ACYS A 754 ZN ZN A 903 1555 1555 2.79 LINK OE2 GLU A 756 ZN ZN A 903 1555 1555 2.20 LINK SG CYS B 705 ZN ZN B 901 1555 1555 2.24 LINK SG CYS B 708 ZN ZN B 901 1555 1555 2.33 LINK SG CYS B 717 ZN ZN B 902 1555 1555 2.15 LINK SG CYS B 720 ZN ZN B 902 1555 1555 2.34 LINK ND1 HIS B 725 ZN ZN B 901 1555 1555 2.21 LINK SG CYS B 728 ZN ZN B 901 1555 1555 2.28 LINK SG CYS B 742 ZN ZN B 902 1555 1555 2.40 LINK SG CYS B 745 ZN ZN B 902 1555 1555 2.34 CISPEP 1 ILE A 730 PRO A 731 0 -10.08 CISPEP 2 ASN A 738 PRO A 739 0 -5.58 CISPEP 3 ILE B 730 PRO B 731 0 -15.76 CISPEP 4 ASN B 738 PRO B 739 0 15.66 CISPEP 5 ARG B 803 GLU B 804 0 -10.95 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 15 ASN A 802 ARG A 803 TYR A 848 HOH A1001 SITE *** AC4 15 HOH A1041 HOH A1049 HOH A1094 HOH A1142 SITE *** AC4 15 HOH A1172 HOH A1251 ARG B 753 PRO B 773 SITE *** AC4 15 GLU B 774 EDO B 903 HOH B1225 SITE *** AC5 6 GLU A 763 SER A 764 ARG A 838 HOH A1012 SITE *** AC5 6 HOH A1105 HOH A1253 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 6 MES A 904 HOH A1077 ARG B 746 PRO B 773 SITE *** AC8 6 GLU B 774 HOH B1001 CRYST1 127.710 45.540 83.540 90.00 102.08 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 0.001676 0.00000 SCALE2 0.000000 0.021959 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012241 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= -0.111 K(o=-0.11,f=-0.98) USER MOD Set 1.2: B 875 GLN : amide:sc= 0 X(o=-0.11,f=-0.22) USER MOD Set 2.1: B 791 LYS NZ :NH3+ 171:sc= 0.293 (180deg=0) USER MOD Set 2.2: B 859 GLN : amide:sc= 0.264 K(o=0.56,f=-1.8) USER MOD Set 3.1: B 842 HIS : no HD1:sc= -0.229 X(o=0.8,f=0.86) USER MOD Set 3.2: B 843 ASN : amide:sc= 1.03 K(o=0.8,f=-0.62) USER MOD Set 4.1: B 813 MET CE :methyl 148:sc= -0.743 (180deg=-1.25) USER MOD Set 4.2: B 817 LYS NZ :NH3+ -156:sc=-0.00681 (180deg=0) USER MOD Set 5.1: B 787 TYR OH : rot -19:sc= 1.25 USER MOD Set 5.2: B 816 ASN : amide:sc= 1.85 K(o=3.1,f=2.3) USER MOD Set 6.1: B 785 LYS NZ :NH3+ -169:sc= 0.436 (180deg=0) USER MOD Set 6.2: B 867 ASN : amide:sc= 1.54 K(o=2,f=-0.91) USER MOD Set 7.1: B 771 MET CE :methyl 163:sc= 0 (180deg=-0.23) USER MOD Set 7.2: B 776 GLN : amide:sc= 2.44 K(o=2.4,f=-0.44) USER MOD Set 8.1: B 727 HIS : no HD1:sc= 0.701 K(o=1.6,f=-1.8) USER MOD Set 8.2: B 732 SER OG : rot -124:sc= 0.859 USER MOD Set 9.1: B 716 CYS SG A: rot -64:sc= 0.0509 USER MOD Set 9.2: B 723 SER OG : rot 144:sc= 1.32 USER MOD Set10.1: B 719 THR OG1 : rot 83:sc= 1.97 USER MOD Set10.2: B 741 SER OG : rot -73:sc= 0.995 USER MOD Set11.1: A 791 LYS NZ :NH3+ -169:sc= 1.36 (180deg=0.662) USER MOD Set11.2: A 859 GLN : amide:sc= 0.294 K(o=1.7,f=-1) USER MOD Set12.1: A 787 TYR OH : rot -1:sc= 1.29 USER MOD Set12.2: A 816 ASN : amide:sc= 1.63 K(o=2.9,f=2.1) USER MOD Set13.1: A 771 MET CE :methyl 177:sc= 0 (180deg=-0.0119) USER MOD Set13.2: A 779 CYS SG : rot -101:sc= 0.379 USER MOD Set14.1: A 727 HIS : no HD1:sc= 0.736 K(o=1.8,f=-2.6) USER MOD Set14.2: A 732 SER OG : rot -123:sc= 1.02 USER MOD Set15.1: A 719 THR OG1 : rot 71:sc= 2.59 USER MOD Set15.2: A 741 SER OG : rot -67:sc= 1.27 USER MOD Set16.1: A 716 CYS SG : rot -43:sc= 0.0879 USER MOD Set16.2: A 723 SER OG : rot 143:sc= 0.828 USER MOD Single : A 701 ASN : amide:sc= -0.44 X(o=-0.44,f=-0.67) USER MOD Single : A 702 SER OG : rot 180:sc= 0 USER MOD Single : A 703 ASN : amide:sc=-0.00562 K(o=-0.0056,f=-0.54) USER MOD Single : A 709 ASN : amide:sc= 0.418 X(o=0.42,f=0.072) USER MOD Single : A 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 HIS : no HE2:sc= 1.8 K(o=1.8,f=-8.2!) USER MOD Single : A 736 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 738 ASN : amide:sc= -0.904 K(o=-0.9,f=-2.9!) USER MOD Single : A 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 749 THR OG1 : rot 78:sc= 0.163 USER MOD Single : A 751 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 754 CYS SG A: rot 180:sc= -0.136 USER MOD Single : A 754 CYS SG B: rot 180:sc= -0.537 USER MOD Single : A 757 SER OG : rot -81:sc= 1.25 USER MOD Single : A 758 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 759 SER OG : rot 176:sc= 1.15 USER MOD Single : A 761 HIS : no HE2:sc= -0.363 K(o=-0.36,f=-1.4) USER MOD Single : A 762 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : A 764 SER OG : rot -82:sc= 0.193 USER MOD Single : A 768 MET CE :methyl 178:sc= 0 (180deg=-0.0078) USER MOD Single : A 770 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 776 GLN : amide:sc= 2.68 K(o=2.7,f=-0.049) USER MOD Single : A 778 LYS NZ A:NH3+ -111:sc= -0.644 (180deg=-1.66) 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 66:sc= 0.0668 USER MOD Single : A 790 SER OG : rot -98:sc= 0.00232 USER MOD Single : A 792 SER OG : rot -81:sc= 1.82 USER MOD Single : A 793 CYS SG : rot -85:sc= 0.00363 USER MOD Single : A 797 SER OG : rot 98:sc= 0.488 USER MOD Single : A 800 TYR OH : rot 180:sc= 0 USER MOD Single : A 801 TYR OH : rot 4:sc= 2.32 USER MOD Single : A 802 ASN : amide:sc= -0.0142 K(o=-0.014,f=-1.5) USER MOD Single : A 806 SER OG : rot -153:sc= 0.925 USER MOD Single : A 807 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.45) USER MOD Single : A 810 GLN : amide:sc= -0.0876 X(o=-0.088,f=-0.15) USER MOD Single : A 811 LYS NZ :NH3+ -146:sc= 0.292 (180deg=0.0623) USER MOD Single : A 813 MET CE :methyl 165:sc=-0.00897 (180deg=-0.341) USER MOD Single : A 817 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 819 LYS NZ :NH3+ 169:sc= 0.469 (180deg=0.428) USER MOD Single : A 820 THR OG1 : rot 85:sc= 0.00992 USER MOD Single : A 821 SER OG : rot 72:sc= 0.171 USER MOD Single : A 823 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 825 GLN : amide:sc= -0.0143 X(o=-0.014,f=-0.038) USER MOD Single : A 826 MET CE A:methyl -159:sc= -0.134 (180deg=-0.618) USER MOD Single : A 826 MET CE B:methyl -123:sc= -3.04! (180deg=-3.28!) USER MOD Single : A 827 TYR OH : rot 14:sc= 1.31 USER MOD Single : A 828 THR OG1 : rot 180:sc= 0 USER MOD Single : A 835 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 837 MET CE :methyl -168:sc=-0.00467 (180deg=-0.153) USER MOD Single : A 842 HIS : no HE2:sc= 1.55 K(o=1.5,f=-6.2!) USER MOD Single : A 843 ASN : amide:sc= 2.8 K(o=2.8,f=0.96) USER MOD Single : A 844 HIS : no HD1:sc= 1.54 K(o=1.5,f=-3.9!) USER MOD Single : A 845 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 845 LYS NZ B:NH3+ -173:sc=-8.47e-06 (180deg=-0.00784) USER MOD Single : A 848 TYR OH : rot 30:sc= 0.989 USER MOD Single : A 852 LYS NZ :NH3+ -159:sc= 0.618 (180deg=0.26) USER MOD Single : A 854 THR OG1A: rot 180:sc= 0 USER MOD Single : A 854 THR OG1B: rot -77:sc= 0.0839 USER MOD Single : A 861 GLN : amide:sc= 0.0216 X(o=0.022,f=-0.2) USER MOD Single : A 866 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 867 ASN : amide:sc= 2.43 K(o=2.4,f=0.98) USER MOD Single : A 870 ASN : amide:sc= 1.05 K(o=1,f=0.21) USER MOD Single : A 875 GLN : amide:sc= 0.105 X(o=0.11,f=-0.21) 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 -47:sc= 1.07 USER MOD Single : A 905 EDO O2 : rot -160:sc= 0 USER MOD Single : B 701 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.2) USER MOD Single : B 702 SER OG : rot 171:sc= 0.113 USER MOD Single : B 703 ASN : amide:sc= 0.275 K(o=0.28,f=-4.2!) USER MOD Single : B 709 ASN : amide:sc= 0.046 X(o=0.046,f=0) USER MOD Single : B 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 716 CYS SG B: rot 14:sc= 0.407 USER MOD Single : B 729 HIS : no HE2:sc= 1.62 K(o=1.6,f=-7.8!) USER MOD Single : B 736 ASN : amide:sc= -0.616 K(o=-0.62,f=-3.3!) USER MOD Single : B 737 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 738 ASN : amide:sc=-0.00122 X(o=-0.0012,f=-0.01) USER MOD Single : B 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 749 THR OG1 : rot 180:sc= 0 USER MOD Single : B 751 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : B 754 CYS SG : rot 180:sc= 0 USER MOD Single : B 761 HIS : no HE2:sc= 0.296 K(o=0.3,f=-1.2) 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= -0.601 (180deg=-0.694) USER MOD Single : B 770 GLN : amide:sc=-0.00475 K(o=-0.0047,f=-0.97) USER MOD Single : B 778 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 779 CYS SG : rot 137:sc= 0.377 USER MOD Single : B 788 CYS SG : rot 67:sc= 0.12 USER MOD Single : B 790 SER OG : rot 180:sc= 0 USER MOD Single : B 792 SER OG : rot -84:sc= 1.85 USER MOD Single : B 793 CYS SG : rot 180:sc=-0.00489 USER MOD Single : B 797 SER OG : rot 180:sc= 0 USER MOD Single : B 800 TYR OH : rot 180:sc= -0.0906 USER MOD Single : B 801 TYR OH : rot -22:sc= 2.03 USER MOD Single : B 802 ASN : amide:sc= 0.298 X(o=0.3,f=0) USER MOD Single : B 810 GLN : amide:sc=-0.000521 X(o=-0.00052,f=0) USER MOD Single : B 811 LYS NZ :NH3+ -119:sc= 0.0872 (180deg=0.0676) USER MOD Single : B 819 LYS NZ :NH3+ -169:sc= 0.738 (180deg=0.638) USER MOD Single : B 820 THR OG1 : rot 88:sc= 0.18 USER MOD Single : B 821 SER OG : rot 74:sc= 0.158 USER MOD Single : B 823 ASN : amide:sc= 0 X(o=0,f=0.024) USER MOD Single : B 825 GLN : amide:sc= 1.69 K(o=1.7,f=-2.8!) USER MOD Single : B 826 MET CE A:methyl -171:sc= 0 (180deg=-0.0711) USER MOD Single : B 826 MET CE B:methyl 175:sc=-0.00862 (180deg=-0.029) USER MOD Single : B 827 TYR OH : rot -13:sc= 1.35 USER MOD Single : B 828 THR OG1 : rot 180:sc= 0 USER MOD Single : B 835 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : B 837 MET CE :methyl -163:sc= -0.0816 (180deg=-0.417) USER MOD Single : B 844 HIS : no HD1:sc= 1.15 K(o=1.1,f=-4.3!) USER MOD Single : B 845 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00271) USER MOD Single : B 848 TYR OH : rot 30:sc= 0.719 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 -72:sc= 1.32 USER MOD Single : B 861 GLN : amide:sc= 0.0166 X(o=0.017,f=-0.25) USER MOD Single : B 866 LYS NZ :NH3+ -176:sc= 1.13 (180deg=1.04) USER MOD Single : B 870 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 903 EDO O1 : rot -128:sc= 0.0508 USER MOD Single : B 903 EDO O2 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 701 14.609 -4.909 -4.108 1.00 57.40 N ATOM 2 CA ASN A 701 15.163 -3.985 -3.064 1.00 62.63 C ATOM 3 C ASN A 701 14.125 -2.960 -2.563 1.00 63.23 C ATOM 4 O ASN A 701 13.221 -2.553 -3.296 1.00 55.15 O ATOM 5 CB ASN A 701 16.406 -3.224 -3.569 1.00 63.10 C ATOM 6 CG ASN A 701 17.626 -4.106 -3.712 1.00 71.75 C ATOM 7 OD1 ASN A 701 17.951 -4.501 -4.826 1.00 76.49 O ATOM 8 ND2 ASN A 701 18.341 -4.395 -2.590 1.00 62.75 N ATOM 0 HA ASN A 701 15.414 -4.559 -2.324 1.00 62.63 H new ATOM 0 HB2 ASN A 701 16.204 -2.819 -4.427 1.00 63.10 H new ATOM 0 HB3 ASN A 701 16.607 -2.501 -2.955 1.00 63.10 H new ATOM 0 HD21 ASN A 701 19.053 -4.873 -2.645 1.00 62.75 H new ATOM 0 HD22 ASN A 701 18.080 -4.099 -1.826 1.00 62.75 H new ATOM 9 N SER A 702 14.300 -2.524 -1.319 1.00 55.58 N ATOM 10 CA SER A 702 13.516 -1.437 -0.741 1.00 51.71 C ATOM 11 C SER A 702 13.673 -0.154 -1.579 1.00 50.19 C ATOM 12 O SER A 702 14.710 0.069 -2.210 1.00 50.50 O ATOM 13 CB SER A 702 13.936 -1.200 0.737 1.00 49.94 C ATOM 14 OG SER A 702 13.026 -0.344 1.445 1.00 48.49 O ATOM 0 H SER A 702 14.884 -2.855 -0.781 1.00 55.58 H new ATOM 0 HA SER A 702 12.578 -1.685 -0.752 1.00 51.71 H new ATOM 0 HB2 SER A 702 13.992 -2.054 1.194 1.00 49.94 H new ATOM 0 HB3 SER A 702 14.823 -0.809 0.758 1.00 49.94 H new ATOM 0 HG SER A 702 13.291 -0.246 2.236 1.00 48.49 H new ATOM 15 N ASN A 703 12.619 0.667 -1.566 1.00 48.65 N ATOM 16 CA ASN A 703 12.558 1.973 -2.247 1.00 53.62 C ATOM 17 C ASN A 703 12.859 3.124 -1.344 1.00 45.99 C ATOM 18 O ASN A 703 12.840 4.266 -1.810 1.00 40.48 O ATOM 19 CB ASN A 703 11.144 2.229 -2.823 1.00 61.97 C ATOM 20 CG ASN A 703 10.663 1.096 -3.695 1.00 81.33 C ATOM 21 OD1 ASN A 703 11.466 0.302 -4.218 1.00100.44 O ATOM 22 ND2 ASN A 703 9.350 0.990 -3.849 1.00 94.26 N ATOM 0 H ASN A 703 11.893 0.475 -1.147 1.00 48.65 H new ATOM 0 HA ASN A 703 13.231 1.923 -2.944 1.00 53.62 H new ATOM 0 HB2 ASN A 703 10.519 2.359 -2.093 1.00 61.97 H new ATOM 0 HB3 ASN A 703 11.152 3.050 -3.339 1.00 61.97 H new ATOM 0 HD21 ASN A 703 9.023 0.353 -4.326 1.00 94.26 H new ATOM 0 HD22 ASN A 703 8.826 1.558 -3.472 1.00 94.26 H new ATOM 23 N ILE A 704 13.160 2.855 -0.056 1.00 37.90 N ATOM 24 CA ILE A 704 13.610 3.903 0.853 1.00 33.79 C ATOM 25 C ILE A 704 14.936 3.459 1.546 1.00 32.95 C ATOM 26 O ILE A 704 15.183 2.289 1.685 1.00 32.28 O ATOM 27 CB ILE A 704 12.502 4.300 1.902 1.00 40.87 C ATOM 28 CG1 ILE A 704 12.050 3.105 2.746 1.00 44.06 C ATOM 29 CG2 ILE A 704 11.272 4.866 1.167 1.00 47.36 C ATOM 30 CD1 ILE A 704 11.023 3.392 3.838 1.00 46.09 C ATOM 0 H ILE A 704 13.107 2.073 0.298 1.00 37.90 H new ATOM 0 HA ILE A 704 13.782 4.704 0.334 1.00 33.79 H new ATOM 0 HB ILE A 704 12.892 4.964 2.492 1.00 40.87 H new ATOM 0 HG12 ILE A 704 11.680 2.435 2.150 1.00 44.06 H new ATOM 0 HG13 ILE A 704 12.834 2.713 3.162 1.00 44.06 H new ATOM 0 HG21 ILE A 704 10.592 5.109 1.814 1.00 47.36 H new ATOM 0 HG22 ILE A 704 11.531 5.651 0.660 1.00 47.36 H new ATOM 0 HG23 ILE A 704 10.918 4.194 0.564 1.00 47.36 H new ATOM 0 HD11 ILE A 704 10.810 2.570 4.307 1.00 46.09 H new ATOM 0 HD12 ILE A 704 11.388 4.036 4.465 1.00 46.09 H new ATOM 0 HD13 ILE A 704 10.217 3.753 3.437 1.00 46.09 H new ATOM 31 N CYS A 705 15.705 4.431 1.964 1.00 30.89 N ATOM 32 CA CYS A 705 16.927 4.265 2.790 1.00 32.97 C ATOM 33 C CYS A 705 16.583 3.600 4.127 1.00 30.51 C ATOM 34 O CYS A 705 15.676 3.992 4.848 1.00 26.54 O ATOM 35 CB CYS A 705 17.592 5.588 2.981 1.00 31.82 C ATOM 36 SG CYS A 705 19.148 5.611 4.008 1.00 28.62 S ATOM 0 H CYS A 705 15.541 5.254 1.777 1.00 30.89 H new ATOM 0 HA CYS A 705 17.551 3.681 2.330 1.00 32.97 H new ATOM 0 HB2 CYS A 705 17.803 5.949 2.106 1.00 31.82 H new ATOM 0 HB3 CYS A 705 16.952 6.191 3.390 1.00 31.82 H new ATOM 37 N GLU A 706 17.332 2.558 4.447 1.00 29.73 N ATOM 38 CA GLU A 706 17.167 1.824 5.637 1.00 30.11 C ATOM 39 C GLU A 706 17.388 2.657 6.888 1.00 26.43 C ATOM 40 O GLU A 706 16.773 2.376 7.868 1.00 25.17 O ATOM 41 CB GLU A 706 18.176 0.666 5.653 1.00 34.92 C ATOM 42 CG GLU A 706 17.958 -0.296 6.801 1.00 38.40 C ATOM 43 CD GLU A 706 16.832 -1.266 6.549 1.00 45.20 C ATOM 44 OE1 GLU A 706 16.142 -1.168 5.516 1.00 55.58 O ATOM 45 OE2 GLU A 706 16.667 -2.171 7.369 1.00 45.40 O ATOM 0 H GLU A 706 17.967 2.265 3.946 1.00 29.73 H new ATOM 0 HA GLU A 706 16.250 1.509 5.648 1.00 30.11 H new ATOM 0 HB2 GLU A 706 18.116 0.180 4.815 1.00 34.92 H new ATOM 0 HB3 GLU A 706 19.074 1.028 5.707 1.00 34.92 H new ATOM 0 HG2 GLU A 706 18.776 -0.792 6.961 1.00 38.40 H new ATOM 0 HG3 GLU A 706 17.770 0.208 7.608 1.00 38.40 H new ATOM 46 N VAL A 707 18.275 3.615 6.832 1.00 25.36 N ATOM 47 CA VAL A 707 18.667 4.422 7.983 1.00 25.82 C ATOM 48 C VAL A 707 17.686 5.587 8.202 1.00 31.26 C ATOM 49 O VAL A 707 17.181 5.769 9.311 1.00 27.67 O ATOM 50 CB VAL A 707 20.089 4.974 7.788 1.00 23.82 C ATOM 51 CG1 VAL A 707 20.560 5.826 8.961 1.00 24.58 C ATOM 52 CG2 VAL A 707 21.077 3.791 7.581 1.00 26.62 C ATOM 0 H VAL A 707 18.685 3.830 6.107 1.00 25.36 H new ATOM 0 HA VAL A 707 18.648 3.851 8.767 1.00 25.82 H new ATOM 0 HB VAL A 707 20.069 5.548 7.006 1.00 23.82 H new ATOM 0 HG11 VAL A 707 21.459 6.148 8.787 1.00 24.58 H new ATOM 0 HG12 VAL A 707 19.962 6.582 9.073 1.00 24.58 H new ATOM 0 HG13 VAL A 707 20.559 5.291 9.770 1.00 24.58 H new ATOM 0 HG21 VAL A 707 21.975 4.137 7.458 1.00 26.62 H new ATOM 0 HG22 VAL A 707 21.058 3.213 8.360 1.00 26.62 H new ATOM 0 HG23 VAL A 707 20.816 3.284 6.796 1.00 26.62 H new ATOM 53 N CYS A 708 17.474 6.399 7.168 1.00 31.46 N ATOM 54 CA CYS A 708 16.697 7.656 7.340 1.00 32.18 C ATOM 55 C CYS A 708 15.247 7.541 6.817 1.00 35.26 C ATOM 56 O CYS A 708 14.505 8.500 6.918 1.00 32.75 O ATOM 57 CB CYS A 708 17.437 8.827 6.734 1.00 29.81 C ATOM 58 SG CYS A 708 17.305 8.816 4.920 1.00 31.51 S ATOM 0 H CYS A 708 17.760 6.256 6.370 1.00 31.46 H new ATOM 0 HA CYS A 708 16.615 7.817 8.293 1.00 32.18 H new ATOM 0 HB2 CYS A 708 17.076 9.657 7.083 1.00 29.81 H new ATOM 0 HB3 CYS A 708 18.371 8.793 6.994 1.00 29.81 H new ATOM 59 N ASN A 709 14.862 6.386 6.270 1.00 33.94 N ATOM 60 CA ASN A 709 13.523 6.133 5.735 1.00 38.58 C ATOM 61 C ASN A 709 12.977 7.061 4.652 1.00 41.13 C ATOM 62 O ASN A 709 11.750 7.156 4.522 1.00 36.88 O ATOM 63 CB ASN A 709 12.528 6.071 6.869 1.00 39.09 C ATOM 64 CG ASN A 709 12.923 5.019 7.867 1.00 46.32 C ATOM 65 OD1 ASN A 709 13.504 5.325 8.907 1.00 45.00 O ATOM 66 ND2 ASN A 709 12.751 3.778 7.493 1.00 47.85 N ATOM 0 H ASN A 709 15.388 5.709 6.198 1.00 33.94 H new ATOM 0 HA ASN A 709 13.639 5.289 5.270 1.00 38.58 H new ATOM 0 HB2 ASN A 709 12.476 6.935 7.307 1.00 39.09 H new ATOM 0 HB3 ASN A 709 11.644 5.876 6.520 1.00 39.09 H new ATOM 0 HD21 ASN A 709 13.050 3.136 7.982 1.00 47.85 H new ATOM 0 HD22 ASN A 709 12.339 3.603 6.758 1.00 47.85 H new ATOM 67 N LYS A 710 13.873 7.750 3.935 1.00 35.89 N ATOM 68 CA LYS A 710 13.551 8.628 2.797 1.00 38.32 C ATOM 69 C LYS A 710 13.995 7.970 1.472 1.00 43.27 C ATOM 70 O LYS A 710 14.932 7.141 1.419 1.00 38.49 O ATOM 71 CB LYS A 710 14.272 9.961 2.911 1.00 35.98 C ATOM 72 CG LYS A 710 13.908 10.814 4.123 1.00 44.88 C ATOM 73 CD LYS A 710 12.467 11.254 4.080 1.00 46.91 C ATOM 74 CE LYS A 710 12.135 12.263 5.164 1.00 53.28 C ATOM 75 NZ LYS A 710 11.907 11.599 6.469 1.00 62.63 N ATOM 0 H LYS A 710 14.716 7.719 4.103 1.00 35.89 H new ATOM 0 HA LYS A 710 12.591 8.770 2.807 1.00 38.32 H new ATOM 0 HB2 LYS A 710 15.227 9.792 2.931 1.00 35.98 H new ATOM 0 HB3 LYS A 710 14.092 10.476 2.109 1.00 35.98 H new ATOM 0 HG2 LYS A 710 14.069 10.309 4.935 1.00 44.88 H new ATOM 0 HG3 LYS A 710 14.484 11.594 4.156 1.00 44.88 H new ATOM 0 HD2 LYS A 710 12.276 11.642 3.212 1.00 46.91 H new ATOM 0 HD3 LYS A 710 11.892 10.479 4.177 1.00 46.91 H new ATOM 0 HE2 LYS A 710 12.860 12.902 5.247 1.00 53.28 H new ATOM 0 HE3 LYS A 710 11.343 12.763 4.911 1.00 53.28 H new ATOM 0 HZ1 LYS A 710 11.715 12.212 7.085 1.00 62.63 H new ATOM 0 HZ2 LYS A 710 11.228 11.028 6.397 1.00 62.63 H new ATOM 0 HZ3 LYS A 710 12.641 11.157 6.710 1.00 62.63 H new ATOM 76 N TRP A 711 13.314 8.351 0.388 1.00 39.64 N ATOM 77 CA TRP A 711 13.728 8.025 -0.971 1.00 34.53 C ATOM 78 C TRP A 711 14.801 9.008 -1.364 1.00 34.51 C ATOM 79 O TRP A 711 15.198 9.895 -0.567 1.00 41.63 O ATOM 80 CB TRP A 711 12.488 7.990 -1.909 1.00 40.50 C ATOM 81 CG TRP A 711 12.764 7.677 -3.310 1.00 37.96 C ATOM 82 CD1 TRP A 711 13.103 6.478 -3.823 1.00 40.45 C ATOM 83 CD2 TRP A 711 12.780 8.599 -4.388 1.00 34.55 C ATOM 84 NE1 TRP A 711 13.314 6.582 -5.172 1.00 39.11 N ATOM 85 CE2 TRP A 711 13.114 7.881 -5.538 1.00 36.17 C ATOM 86 CE3 TRP A 711 12.473 9.959 -4.506 1.00 34.74 C ATOM 87 CZ2 TRP A 711 13.176 8.477 -6.788 1.00 39.58 C ATOM 88 CZ3 TRP A 711 12.557 10.543 -5.745 1.00 37.62 C ATOM 89 CH2 TRP A 711 12.886 9.802 -6.865 1.00 32.99 C ATOM 0 H TRP A 711 12.589 8.812 0.426 1.00 39.64 H new ATOM 0 HA TRP A 711 14.112 7.137 -1.042 1.00 34.53 H new ATOM 0 HB2 TRP A 711 11.861 7.334 -1.565 1.00 40.50 H new ATOM 0 HB3 TRP A 711 12.047 8.853 -1.868 1.00 40.50 H new ATOM 0 HD1 TRP A 711 13.182 5.693 -3.331 1.00 40.45 H new ATOM 0 HE1 TRP A 711 13.535 5.939 -5.698 1.00 39.11 H new ATOM 0 HE3 TRP A 711 12.218 10.456 -3.762 1.00 34.74 H new ATOM 0 HZ2 TRP A 711 13.407 7.989 -7.545 1.00 39.58 H new ATOM 0 HZ3 TRP A 711 12.390 11.454 -5.833 1.00 37.62 H new ATOM 0 HH2 TRP A 711 12.909 10.222 -7.694 1.00 32.99 H new ATOM 90 N GLY A 712 15.401 8.760 -2.531 1.00 34.83 N ATOM 91 CA GLY A 712 16.430 9.620 -3.096 1.00 30.01 C ATOM 92 C GLY A 712 17.369 8.727 -3.943 1.00 32.33 C ATOM 93 O GLY A 712 16.955 7.680 -4.438 1.00 33.65 O ATOM 0 H GLY A 712 15.215 8.077 -3.019 1.00 34.83 H new ATOM 0 HA2 GLY A 712 16.032 10.313 -3.645 1.00 30.01 H new ATOM 0 HA3 GLY A 712 16.926 10.066 -2.392 1.00 30.01 H new ATOM 94 N ARG A 713 18.619 9.151 -4.087 1.00 35.85 N ATOM 95 CA ARG A 713 19.678 8.368 -4.735 1.00 38.02 C ATOM 96 C ARG A 713 20.132 7.200 -3.829 1.00 36.95 C ATOM 97 O ARG A 713 20.870 7.396 -2.908 1.00 36.53 O ATOM 98 CB ARG A 713 20.853 9.287 -5.055 1.00 40.37 C ATOM 99 CG ARG A 713 22.038 8.650 -5.792 1.00 48.80 C ATOM 100 CD ARG A 713 21.619 7.900 -7.061 1.00 62.54 C ATOM 101 NE ARG A 713 22.666 7.050 -7.630 1.00 69.44 N ATOM 102 CZ ARG A 713 22.601 5.726 -7.829 1.00 72.08 C ATOM 103 NH1 ARG A 713 23.658 5.114 -8.347 1.00 73.00 N ATOM 104 NH2 ARG A 713 21.523 4.997 -7.522 1.00 68.54 N ATOM 0 H ARG A 713 18.886 9.919 -3.806 1.00 35.85 H new ATOM 0 HA ARG A 713 19.334 7.985 -5.557 1.00 38.02 H new ATOM 0 HB2 ARG A 713 20.524 10.026 -5.591 1.00 40.37 H new ATOM 0 HB3 ARG A 713 21.180 9.663 -4.223 1.00 40.37 H new ATOM 0 HG2 ARG A 713 22.676 9.342 -6.027 1.00 48.80 H new ATOM 0 HG3 ARG A 713 22.492 8.036 -5.194 1.00 48.80 H new ATOM 0 HD2 ARG A 713 20.845 7.351 -6.859 1.00 62.54 H new ATOM 0 HD3 ARG A 713 21.342 8.546 -7.730 1.00 62.54 H new ATOM 0 HE ARG A 713 23.397 7.440 -7.860 1.00 69.44 H new ATOM 0 HH11 ARG A 713 24.362 5.566 -8.546 1.00 73.00 H new ATOM 0 HH12 ARG A 713 23.639 4.265 -8.484 1.00 73.00 H new ATOM 0 HH21 ARG A 713 20.831 5.376 -7.181 1.00 68.54 H new ATOM 0 HH22 ARG A 713 21.522 4.149 -7.666 1.00 68.54 H new ATOM 105 N LEU A 714 19.665 6.006 -4.101 1.00 35.92 N ATOM 106 CA LEU A 714 19.884 4.873 -3.249 1.00 36.04 C ATOM 107 C LEU A 714 20.815 3.866 -3.918 1.00 44.22 C ATOM 108 O LEU A 714 20.753 3.664 -5.123 1.00 40.79 O ATOM 109 CB LEU A 714 18.576 4.169 -2.980 1.00 33.55 C ATOM 110 CG LEU A 714 17.521 4.992 -2.274 1.00 33.31 C ATOM 111 CD1 LEU A 714 16.262 4.202 -2.236 1.00 34.55 C ATOM 112 CD2 LEU A 714 17.933 5.470 -0.892 1.00 36.12 C ATOM 0 H LEU A 714 19.201 5.829 -4.803 1.00 35.92 H new ATOM 0 HA LEU A 714 20.279 5.198 -2.425 1.00 36.04 H new ATOM 0 HB2 LEU A 714 18.212 3.864 -3.826 1.00 33.55 H new ATOM 0 HB3 LEU A 714 18.757 3.379 -2.447 1.00 33.55 H new ATOM 0 HG LEU A 714 17.390 5.810 -2.778 1.00 33.31 H new ATOM 0 HD11 LEU A 714 15.572 4.714 -1.786 1.00 34.55 H new ATOM 0 HD12 LEU A 714 15.977 4.003 -3.142 1.00 34.55 H new ATOM 0 HD13 LEU A 714 16.414 3.373 -1.755 1.00 34.55 H new ATOM 0 HD21 LEU A 714 17.213 5.988 -0.501 1.00 36.12 H new ATOM 0 HD22 LEU A 714 18.123 4.704 -0.328 1.00 36.12 H new ATOM 0 HD23 LEU A 714 18.727 6.023 -0.964 1.00 36.12 H new ATOM 113 N PHE A 715 21.658 3.241 -3.104 1.00 40.13 N ATOM 114 CA PHE A 715 22.470 2.094 -3.487 1.00 38.23 C ATOM 115 C PHE A 715 21.887 0.830 -2.874 1.00 36.69 C ATOM 116 O PHE A 715 21.619 0.765 -1.688 1.00 39.39 O ATOM 117 CB PHE A 715 23.885 2.379 -3.075 1.00 38.54 C ATOM 118 CG PHE A 715 24.435 3.637 -3.673 1.00 43.15 C ATOM 119 CD1 PHE A 715 25.163 3.601 -4.866 1.00 46.23 C ATOM 120 CD2 PHE A 715 24.212 4.858 -3.083 1.00 47.38 C ATOM 121 CE1 PHE A 715 25.678 4.748 -5.418 1.00 49.97 C ATOM 122 CE2 PHE A 715 24.735 6.024 -3.625 1.00 50.47 C ATOM 123 CZ PHE A 715 25.473 5.970 -4.799 1.00 51.96 C ATOM 0 H PHE A 715 21.777 3.481 -2.287 1.00 40.13 H new ATOM 0 HA PHE A 715 22.468 1.945 -4.445 1.00 38.23 H new ATOM 0 HB2 PHE A 715 23.927 2.443 -2.108 1.00 38.54 H new ATOM 0 HB3 PHE A 715 24.447 1.632 -3.335 1.00 38.54 H new ATOM 0 HD1 PHE A 715 25.301 2.786 -5.293 1.00 46.23 H new ATOM 0 HD2 PHE A 715 23.702 4.904 -2.307 1.00 47.38 H new ATOM 0 HE1 PHE A 715 26.165 4.704 -6.209 1.00 49.97 H new ATOM 0 HE2 PHE A 715 24.591 6.840 -3.202 1.00 50.47 H new ATOM 0 HZ PHE A 715 25.827 6.747 -5.167 1.00 51.96 H new ATOM 124 N CYS A 716 21.726 -0.207 -3.664 1.00 33.44 N ATOM 125 CA CYS A 716 21.059 -1.397 -3.284 1.00 36.37 C ATOM 126 C CYS A 716 22.024 -2.508 -2.873 1.00 39.99 C ATOM 127 O CYS A 716 23.041 -2.698 -3.494 1.00 49.81 O ATOM 128 CB CYS A 716 20.151 -1.888 -4.424 1.00 50.52 C ATOM 129 SG CYS A 716 18.614 -0.931 -4.684 1.00 55.67 S ATOM 0 H CYS A 716 22.020 -0.226 -4.472 1.00 33.44 H new ATOM 0 HA CYS A 716 20.521 -1.181 -2.506 1.00 36.37 H new ATOM 0 HB2 CYS A 716 20.662 -1.878 -5.249 1.00 50.52 H new ATOM 0 HB3 CYS A 716 19.912 -2.812 -4.249 1.00 50.52 H new ATOM 0 HG CYS A 716 18.109 -0.689 -3.623 1.00 55.67 H new ATOM 130 N CYS A 717 21.701 -3.216 -1.802 1.00 40.90 N ATOM 131 CA CYS A 717 22.511 -4.362 -1.407 1.00 46.75 C ATOM 132 C CYS A 717 22.255 -5.519 -2.394 1.00 45.72 C ATOM 133 O CYS A 717 21.102 -5.751 -2.782 1.00 49.17 O ATOM 134 CB CYS A 717 22.154 -4.818 -0.001 1.00 39.70 C ATOM 135 SG CYS A 717 23.247 -6.101 0.649 1.00 38.60 S ATOM 0 H CYS A 717 21.026 -3.055 -1.294 1.00 40.90 H new ATOM 0 HA CYS A 717 23.446 -4.104 -1.420 1.00 46.75 H new ATOM 0 HB2 CYS A 717 22.178 -4.052 0.594 1.00 39.70 H new ATOM 0 HB3 CYS A 717 21.243 -5.150 0.001 1.00 39.70 H new ATOM 136 N ASP A 718 23.310 -6.260 -2.727 1.00 47.04 N ATOM 137 CA ASP A 718 23.166 -7.427 -3.612 1.00 45.74 C ATOM 138 C ASP A 718 22.740 -8.683 -2.848 1.00 51.56 C ATOM 139 O ASP A 718 22.162 -9.589 -3.448 1.00 59.09 O ATOM 140 CB ASP A 718 24.397 -7.579 -4.497 1.00 48.09 C ATOM 141 CG ASP A 718 24.430 -6.529 -5.626 1.00 48.85 C ATOM 142 OD1 ASP A 718 23.441 -6.515 -6.378 1.00 63.87 O ATOM 143 OD2 ASP A 718 25.393 -5.711 -5.787 1.00 52.72 O ATOM 0 H ASP A 718 24.113 -6.110 -2.457 1.00 47.04 H new ATOM 0 HA ASP A 718 22.428 -7.277 -4.223 1.00 45.74 H new ATOM 0 HB2 ASP A 718 25.197 -7.495 -3.955 1.00 48.09 H new ATOM 0 HB3 ASP A 718 24.409 -8.469 -4.883 1.00 48.09 H new ATOM 144 N THR A 719 22.910 -8.728 -1.521 1.00 46.61 N ATOM 145 CA THR A 719 22.599 -9.942 -0.786 1.00 44.25 C ATOM 146 C THR A 719 21.431 -9.850 0.129 1.00 43.13 C ATOM 147 O THR A 719 21.135 -10.798 0.829 1.00 47.09 O ATOM 148 CB THR A 719 23.841 -10.458 -0.034 1.00 51.72 C ATOM 149 OG1 THR A 719 24.486 -9.400 0.699 1.00 48.28 O ATOM 150 CG2 THR A 719 24.814 -10.997 -1.045 1.00 53.80 C ATOM 0 H THR A 719 23.199 -8.075 -1.042 1.00 46.61 H new ATOM 0 HA THR A 719 22.333 -10.581 -1.465 1.00 44.25 H new ATOM 0 HB THR A 719 23.562 -11.143 0.594 1.00 51.72 H new ATOM 0 HG1 THR A 719 24.005 -9.177 1.351 1.00 48.28 H new ATOM 0 HG21 THR A 719 25.604 -11.327 -0.590 1.00 53.80 H new ATOM 0 HG22 THR A 719 24.399 -11.722 -1.539 1.00 53.80 H new ATOM 0 HG23 THR A 719 25.067 -10.290 -1.660 1.00 53.80 H new ATOM 151 N CYS A 720 20.768 -8.707 0.174 1.00 42.65 N ATOM 152 CA CYS A 720 19.548 -8.557 0.972 1.00 41.28 C ATOM 153 C CYS A 720 18.794 -7.425 0.310 1.00 34.34 C ATOM 154 O CYS A 720 19.373 -6.731 -0.483 1.00 39.83 O ATOM 155 CB CYS A 720 19.822 -8.256 2.470 1.00 39.40 C ATOM 156 SG CYS A 720 20.283 -6.514 2.877 1.00 37.76 S ATOM 0 H CYS A 720 21.004 -7.998 -0.251 1.00 42.65 H new ATOM 0 HA CYS A 720 19.044 -9.386 0.989 1.00 41.28 H new ATOM 0 HB2 CYS A 720 19.029 -8.489 2.978 1.00 39.40 H new ATOM 0 HB3 CYS A 720 20.535 -8.839 2.773 1.00 39.40 H new ATOM 157 N PRO A 721 17.540 -7.213 0.680 1.00 41.01 N ATOM 158 CA PRO A 721 16.742 -6.156 0.045 1.00 43.70 C ATOM 159 C PRO A 721 16.894 -4.730 0.587 1.00 48.42 C ATOM 160 O PRO A 721 16.111 -3.855 0.174 1.00 44.83 O ATOM 161 CB PRO A 721 15.318 -6.633 0.271 1.00 43.68 C ATOM 162 CG PRO A 721 15.359 -7.463 1.502 1.00 43.83 C ATOM 163 CD PRO A 721 16.774 -7.928 1.722 1.00 42.42 C ATOM 0 HA PRO A 721 17.033 -6.054 -0.875 1.00 43.70 H new ATOM 0 HB2 PRO A 721 14.713 -5.883 0.377 1.00 43.68 H new ATOM 0 HB3 PRO A 721 15.000 -7.149 -0.486 1.00 43.68 H new ATOM 0 HG2 PRO A 721 15.051 -6.949 2.265 1.00 43.83 H new ATOM 0 HG3 PRO A 721 14.764 -8.224 1.414 1.00 43.83 H new ATOM 0 HD2 PRO A 721 17.089 -7.705 2.612 1.00 42.42 H new ATOM 0 HD3 PRO A 721 16.853 -8.890 1.626 1.00 42.42 H new ATOM 164 N ARG A 722 17.884 -4.450 1.437 1.00 37.09 N ATOM 165 CA ARG A 722 18.055 -3.061 1.926 1.00 38.10 C ATOM 166 C ARG A 722 18.670 -2.136 0.944 1.00 32.13 C ATOM 167 O ARG A 722 19.483 -2.516 0.120 1.00 36.22 O ATOM 168 CB ARG A 722 18.905 -3.019 3.228 1.00 35.67 C ATOM 169 CG ARG A 722 18.289 -3.822 4.344 1.00 36.51 C ATOM 170 CD ARG A 722 19.224 -3.917 5.525 1.00 34.60 C ATOM 171 NE ARG A 722 18.598 -4.579 6.655 1.00 33.29 N ATOM 172 CZ ARG A 722 18.730 -5.861 6.980 1.00 32.90 C ATOM 173 NH1 ARG A 722 19.417 -6.687 6.232 1.00 35.50 N ATOM 174 NH2 ARG A 722 18.144 -6.308 8.045 1.00 36.87 N ATOM 0 H ARG A 722 18.453 -5.020 1.739 1.00 37.09 H new ATOM 0 HA ARG A 722 17.150 -2.755 2.092 1.00 38.10 H new ATOM 0 HB2 ARG A 722 19.794 -3.359 3.042 1.00 35.67 H new ATOM 0 HB3 ARG A 722 19.008 -2.098 3.514 1.00 35.67 H new ATOM 0 HG2 ARG A 722 17.455 -3.411 4.620 1.00 36.51 H new ATOM 0 HG3 ARG A 722 18.074 -4.713 4.025 1.00 36.51 H new ATOM 0 HD2 ARG A 722 20.023 -4.403 5.267 1.00 34.60 H new ATOM 0 HD3 ARG A 722 19.506 -3.027 5.787 1.00 34.60 H new ATOM 0 HE ARG A 722 18.096 -4.098 7.161 1.00 33.29 H new ATOM 0 HH11 ARG A 722 19.795 -6.404 5.513 1.00 35.50 H new ATOM 0 HH12 ARG A 722 19.491 -7.513 6.459 1.00 35.50 H new ATOM 0 HH21 ARG A 722 17.676 -5.777 8.533 1.00 36.87 H new ATOM 0 HH22 ARG A 722 18.223 -7.136 8.264 1.00 36.87 H new ATOM 175 N SER A 723 18.310 -0.875 1.059 1.00 29.84 N ATOM 176 CA SER A 723 18.964 0.205 0.302 1.00 29.47 C ATOM 177 C SER A 723 19.408 1.363 1.169 1.00 30.83 C ATOM 178 O SER A 723 18.783 1.620 2.209 1.00 32.88 O ATOM 179 CB SER A 723 17.985 0.732 -0.817 1.00 36.64 C ATOM 180 OG SER A 723 17.484 -0.430 -1.576 1.00 39.22 O ATOM 0 H SER A 723 17.678 -0.607 1.577 1.00 29.84 H new ATOM 0 HA SER A 723 19.766 -0.175 -0.091 1.00 29.47 H new ATOM 0 HB2 SER A 723 17.247 1.219 -0.419 1.00 36.64 H new ATOM 0 HB3 SER A 723 18.446 1.348 -1.407 1.00 36.64 H new ATOM 0 HG SER A 723 16.680 -0.304 -1.784 1.00 39.22 H new ATOM 181 N PHE A 724 20.389 2.120 0.689 1.00 27.78 N ATOM 182 CA PHE A 724 21.028 3.195 1.412 1.00 27.66 C ATOM 183 C PHE A 724 21.344 4.392 0.579 1.00 28.66 C ATOM 184 O PHE A 724 21.888 4.304 -0.513 1.00 29.75 O ATOM 185 CB PHE A 724 22.380 2.712 2.051 1.00 26.85 C ATOM 186 CG PHE A 724 22.196 1.527 2.954 1.00 28.21 C ATOM 187 CD1 PHE A 724 22.108 0.262 2.421 1.00 27.17 C ATOM 188 CD2 PHE A 724 22.062 1.691 4.379 1.00 26.56 C ATOM 189 CE1 PHE A 724 21.893 -0.868 3.229 1.00 28.03 C ATOM 190 CE2 PHE A 724 21.833 0.556 5.165 1.00 27.61 C ATOM 191 CZ PHE A 724 21.786 -0.728 4.591 1.00 28.85 C ATOM 0 H PHE A 724 20.709 2.011 -0.102 1.00 27.78 H new ATOM 0 HA PHE A 724 20.378 3.452 2.085 1.00 27.66 H new ATOM 0 HB2 PHE A 724 23.005 2.483 1.345 1.00 26.85 H new ATOM 0 HB3 PHE A 724 22.775 3.441 2.555 1.00 26.85 H new ATOM 0 HD1 PHE A 724 22.193 0.151 1.502 1.00 27.17 H new ATOM 0 HD2 PHE A 724 22.126 2.533 4.768 1.00 26.56 H new ATOM 0 HE1 PHE A 724 21.823 -1.710 2.841 1.00 28.03 H new ATOM 0 HE2 PHE A 724 21.710 0.652 6.082 1.00 27.61 H new ATOM 0 HZ PHE A 724 21.683 -1.478 5.131 1.00 28.85 H new ATOM 192 N HIS A 725 21.191 5.549 1.196 1.00 30.86 N ATOM 193 CA HIS A 725 21.894 6.682 0.711 1.00 29.37 C ATOM 194 C HIS A 725 23.384 6.459 0.961 1.00 37.15 C ATOM 195 O HIS A 725 23.800 5.816 1.954 1.00 30.50 O ATOM 196 CB HIS A 725 21.507 7.978 1.396 1.00 33.86 C ATOM 197 CG HIS A 725 20.113 8.421 1.123 1.00 35.79 C ATOM 198 ND1 HIS A 725 19.137 8.382 2.077 1.00 35.44 N ATOM 199 CD2 HIS A 725 19.508 8.879 -0.004 1.00 42.16 C ATOM 200 CE1 HIS A 725 17.997 8.825 1.598 1.00 33.32 C ATOM 201 NE2 HIS A 725 18.185 9.111 0.317 1.00 41.38 N ATOM 0 H HIS A 725 20.692 5.685 1.883 1.00 30.86 H new ATOM 0 HA HIS A 725 21.673 6.770 -0.229 1.00 29.37 H new ATOM 0 HB2 HIS A 725 21.620 7.872 2.354 1.00 33.86 H new ATOM 0 HB3 HIS A 725 22.118 8.676 1.114 1.00 33.86 H new ATOM 0 HD2 HIS A 725 19.908 9.011 -0.833 1.00 42.16 H new ATOM 0 HE1 HIS A 725 17.202 8.921 2.071 1.00 33.32 H new ATOM 0 HE2 HIS A 725 17.581 9.395 -0.226 1.00 41.38 H new ATOM 202 N GLU A 726 24.171 7.082 0.090 1.00 34.64 N ATOM 203 CA GLU A 726 25.623 6.995 0.094 1.00 37.79 C ATOM 204 C GLU A 726 26.254 7.247 1.468 1.00 35.68 C ATOM 205 O GLU A 726 27.067 6.453 1.901 1.00 38.57 O ATOM 206 CB GLU A 726 26.212 8.025 -0.881 1.00 40.52 C ATOM 207 CG GLU A 726 27.744 8.109 -0.877 1.00 47.54 C ATOM 208 CD GLU A 726 28.332 8.979 -1.983 1.00 57.02 C ATOM 209 OE1 GLU A 726 27.571 9.767 -2.610 1.00 57.22 O ATOM 210 OE2 GLU A 726 29.565 8.860 -2.203 1.00 56.42 O ATOM 0 H GLU A 726 23.863 7.582 -0.538 1.00 34.64 H new ATOM 0 HA GLU A 726 25.830 6.085 -0.169 1.00 37.79 H new ATOM 0 HB2 GLU A 726 25.914 7.809 -1.779 1.00 40.52 H new ATOM 0 HB3 GLU A 726 25.852 8.899 -0.665 1.00 40.52 H new ATOM 0 HG2 GLU A 726 28.035 8.455 -0.019 1.00 47.54 H new ATOM 0 HG3 GLU A 726 28.106 7.213 -0.959 1.00 47.54 H new ATOM 211 N HIS A 727 25.926 8.361 2.094 1.00 31.60 N ATOM 212 CA HIS A 727 26.483 8.728 3.440 1.00 34.57 C ATOM 213 C HIS A 727 25.619 8.349 4.658 1.00 29.10 C ATOM 214 O HIS A 727 25.929 8.672 5.773 1.00 33.04 O ATOM 215 CB HIS A 727 26.760 10.208 3.452 1.00 37.22 C ATOM 216 CG HIS A 727 27.772 10.616 2.438 1.00 46.61 C ATOM 217 ND1 HIS A 727 28.981 9.962 2.296 1.00 56.31 N ATOM 218 CD2 HIS A 727 27.772 11.606 1.526 1.00 53.36 C ATOM 219 CE1 HIS A 727 29.683 10.532 1.336 1.00 58.95 C ATOM 220 NE2 HIS A 727 28.972 11.535 0.854 1.00 64.30 N ATOM 0 H HIS A 727 25.378 8.941 1.773 1.00 31.60 H new ATOM 0 HA HIS A 727 27.288 8.197 3.545 1.00 34.57 H new ATOM 0 HB2 HIS A 727 25.933 10.689 3.289 1.00 37.22 H new ATOM 0 HB3 HIS A 727 27.070 10.467 4.334 1.00 37.22 H new ATOM 0 HD2 HIS A 727 27.091 12.221 1.378 1.00 53.36 H new ATOM 0 HE1 HIS A 727 30.529 10.273 1.049 1.00 58.95 H new ATOM 0 HE2 HIS A 727 29.219 12.061 0.220 1.00 64.30 H new ATOM 221 N CYS A 728 24.534 7.658 4.411 1.00 27.60 N ATOM 222 CA CYS A 728 23.704 7.026 5.458 1.00 27.44 C ATOM 223 C CYS A 728 24.343 5.644 5.837 1.00 26.89 C ATOM 224 O CYS A 728 24.423 5.286 7.026 1.00 26.84 O ATOM 225 CB CYS A 728 22.259 6.881 4.995 1.00 27.71 C ATOM 226 SG CYS A 728 21.221 8.435 5.192 1.00 30.79 S ATOM 0 H CYS A 728 24.235 7.529 3.615 1.00 27.60 H new ATOM 0 HA CYS A 728 23.683 7.588 6.248 1.00 27.44 H new ATOM 0 HB2 CYS A 728 22.255 6.619 4.061 1.00 27.71 H new ATOM 0 HB3 CYS A 728 21.842 6.161 5.494 1.00 27.71 H new ATOM 227 N HIS A 729 24.836 4.920 4.841 1.00 25.31 N ATOM 228 CA HIS A 729 25.551 3.666 5.116 1.00 24.77 C ATOM 229 C HIS A 729 26.836 4.021 5.839 1.00 22.80 C ATOM 230 O HIS A 729 27.400 5.073 5.644 1.00 23.00 O ATOM 231 CB HIS A 729 25.827 2.880 3.802 1.00 23.66 C ATOM 232 CG HIS A 729 26.213 1.474 4.057 1.00 23.39 C ATOM 233 ND1 HIS A 729 27.523 1.105 4.262 1.00 25.30 N ATOM 234 CD2 HIS A 729 25.470 0.372 4.240 1.00 25.19 C ATOM 235 CE1 HIS A 729 27.573 -0.190 4.463 1.00 24.39 C ATOM 236 NE2 HIS A 729 26.344 -0.651 4.484 1.00 27.56 N ATOM 0 H HIS A 729 24.772 5.127 4.009 1.00 25.31 H new ATOM 0 HA HIS A 729 25.012 3.082 5.672 1.00 24.77 H new ATOM 0 HB2 HIS A 729 25.034 2.899 3.244 1.00 23.66 H new ATOM 0 HB3 HIS A 729 26.534 3.322 3.306 1.00 23.66 H new ATOM 0 HD1 HIS A 729 28.199 1.637 4.259 1.00 25.30 H new ATOM 0 HD2 HIS A 729 24.542 0.315 4.207 1.00 25.19 H new ATOM 0 HE1 HIS A 729 28.346 -0.695 4.572 1.00 24.39 H new ATOM 237 N ILE A 730 27.299 3.149 6.762 1.00 22.34 N ATOM 238 CA ILE A 730 28.582 3.374 7.384 1.00 22.51 C ATOM 239 C ILE A 730 29.346 1.992 7.247 1.00 26.26 C ATOM 240 O ILE A 730 28.775 0.962 7.636 1.00 24.85 O ATOM 241 CB ILE A 730 28.456 3.641 8.889 1.00 23.77 C ATOM 242 CG1 ILE A 730 27.537 4.854 9.156 1.00 24.85 C ATOM 243 CG2 ILE A 730 29.835 3.876 9.494 1.00 23.69 C ATOM 244 CD1 ILE A 730 27.330 5.170 10.662 1.00 25.32 C ATOM 0 H ILE A 730 26.883 2.443 7.024 1.00 22.34 H new ATOM 0 HA ILE A 730 29.018 4.135 6.970 1.00 22.51 H new ATOM 0 HB ILE A 730 28.057 2.862 9.308 1.00 23.77 H new ATOM 0 HG12 ILE A 730 27.913 5.635 8.720 1.00 24.85 H new ATOM 0 HG13 ILE A 730 26.673 4.689 8.748 1.00 24.85 H new ATOM 0 HG21 ILE A 730 29.747 4.044 10.445 1.00 23.69 H new ATOM 0 HG22 ILE A 730 30.388 3.091 9.355 1.00 23.69 H new ATOM 0 HG23 ILE A 730 30.249 4.643 9.068 1.00 23.69 H new ATOM 0 HD11 ILE A 730 26.746 5.939 10.754 1.00 25.32 H new ATOM 0 HD12 ILE A 730 26.928 4.404 11.101 1.00 25.32 H new ATOM 0 HD13 ILE A 730 28.187 5.365 11.073 1.00 25.32 H new ATOM 245 N PRO A 731 30.539 2.001 6.715 1.00 27.69 N ATOM 246 CA PRO A 731 31.201 3.130 6.027 1.00 28.62 C ATOM 247 C PRO A 731 30.435 3.599 4.787 1.00 27.48 C ATOM 248 O PRO A 731 29.544 2.877 4.345 1.00 30.20 O ATOM 249 CB PRO A 731 32.508 2.499 5.527 1.00 35.70 C ATOM 250 CG PRO A 731 32.656 1.240 6.278 1.00 32.54 C ATOM 251 CD PRO A 731 31.289 0.735 6.571 1.00 36.78 C ATOM 0 HA PRO A 731 31.286 3.895 6.617 1.00 28.62 H new ATOM 0 HB2 PRO A 731 32.472 2.333 4.572 1.00 35.70 H new ATOM 0 HB3 PRO A 731 33.262 3.089 5.684 1.00 35.70 H new ATOM 0 HG2 PRO A 731 33.157 0.590 5.760 1.00 32.54 H new ATOM 0 HG3 PRO A 731 33.149 1.388 7.100 1.00 32.54 H new ATOM 0 HD2 PRO A 731 30.941 0.183 5.853 1.00 36.78 H new ATOM 0 HD3 PRO A 731 31.262 0.200 7.379 1.00 36.78 H new ATOM 252 N SER A 732 30.735 4.801 4.270 1.00 32.93 N ATOM 253 CA SER A 732 30.036 5.342 3.036 1.00 38.14 C ATOM 254 C SER A 732 30.089 4.364 1.860 1.00 41.22 C ATOM 255 O SER A 732 31.037 3.568 1.748 1.00 41.86 O ATOM 256 CB SER A 732 30.649 6.622 2.556 1.00 43.17 C ATOM 257 OG SER A 732 30.369 7.640 3.472 1.00 49.52 O ATOM 0 H SER A 732 31.329 5.328 4.599 1.00 32.93 H new ATOM 0 HA SER A 732 29.118 5.485 3.316 1.00 38.14 H new ATOM 0 HB2 SER A 732 31.608 6.516 2.457 1.00 43.17 H new ATOM 0 HB3 SER A 732 30.298 6.853 1.682 1.00 43.17 H new ATOM 0 HG SER A 732 29.977 8.270 3.079 1.00 49.52 H new ATOM 258 N VAL A 733 29.031 4.322 1.070 1.00 39.57 N ATOM 259 CA VAL A 733 28.875 3.189 0.116 1.00 40.58 C ATOM 260 C VAL A 733 30.053 3.193 -0.850 1.00 50.39 C ATOM 261 O VAL A 733 30.438 4.238 -1.346 1.00 44.43 O ATOM 262 CB VAL A 733 27.582 3.187 -0.663 1.00 39.15 C ATOM 263 CG1 VAL A 733 27.588 2.087 -1.737 1.00 39.87 C ATOM 264 CG2 VAL A 733 26.384 2.939 0.260 1.00 40.05 C ATOM 0 H VAL A 733 28.402 4.908 1.054 1.00 39.57 H new ATOM 0 HA VAL A 733 28.852 2.383 0.655 1.00 40.58 H new ATOM 0 HB VAL A 733 27.504 4.059 -1.081 1.00 39.15 H new ATOM 0 HG11 VAL A 733 26.749 2.105 -2.224 1.00 39.87 H new ATOM 0 HG12 VAL A 733 28.322 2.240 -2.353 1.00 39.87 H new ATOM 0 HG13 VAL A 733 27.697 1.221 -1.313 1.00 39.87 H new ATOM 0 HG21 VAL A 733 25.567 2.942 -0.262 1.00 40.05 H new ATOM 0 HG22 VAL A 733 26.485 2.079 0.697 1.00 40.05 H new ATOM 0 HG23 VAL A 733 26.341 3.639 0.930 1.00 40.05 H new ATOM 265 N GLU A 734 30.633 2.005 -1.054 1.00 59.71 N ATOM 266 CA GLU A 734 31.908 1.838 -1.769 1.00 68.70 C ATOM 267 C GLU A 734 31.703 2.112 -3.301 1.00 69.92 C ATOM 268 O GLU A 734 30.628 1.813 -3.860 1.00 60.09 O ATOM 269 CB GLU A 734 32.489 0.436 -1.453 1.00 70.52 C ATOM 270 CG GLU A 734 32.877 0.177 0.032 1.00 73.79 C ATOM 271 CD GLU A 734 31.723 0.050 1.083 1.00 79.90 C ATOM 272 OE1 GLU A 734 30.583 -0.301 0.757 1.00 76.56 O ATOM 273 OE2 GLU A 734 31.936 0.287 2.289 1.00 78.24 O ATOM 0 H GLU A 734 30.294 1.264 -0.778 1.00 59.71 H new ATOM 0 HA GLU A 734 32.563 2.487 -1.468 1.00 68.70 H new ATOM 0 HB2 GLU A 734 31.838 -0.232 -1.720 1.00 70.52 H new ATOM 0 HB3 GLU A 734 33.276 0.300 -2.003 1.00 70.52 H new ATOM 0 HG2 GLU A 734 33.399 -0.640 0.064 1.00 73.79 H new ATOM 0 HG3 GLU A 734 33.460 0.898 0.317 1.00 73.79 H new ATOM 274 N ALA A 735 32.709 2.726 -3.942 1.00 86.07 N ATOM 275 CA ALA A 735 32.619 3.228 -5.348 1.00 95.09 C ATOM 276 C ALA A 735 32.312 2.140 -6.387 1.00107.29 C ATOM 277 O ALA A 735 31.398 2.280 -7.221 1.00110.71 O ATOM 278 CB ALA A 735 33.896 3.962 -5.750 1.00 87.29 C ATOM 0 H ALA A 735 33.475 2.869 -3.578 1.00 86.07 H new ATOM 0 HA ALA A 735 31.865 3.838 -5.348 1.00 95.09 H new ATOM 0 HB1 ALA A 735 33.814 4.278 -6.664 1.00 87.29 H new ATOM 0 HB2 ALA A 735 34.035 4.718 -5.158 1.00 87.29 H new ATOM 0 HB3 ALA A 735 34.652 3.357 -5.684 1.00 87.29 H new ATOM 279 N ASN A 736 33.075 1.055 -6.335 1.00101.84 N ATOM 280 CA ASN A 736 32.853 -0.056 -7.236 1.00109.49 C ATOM 281 C ASN A 736 32.280 -1.246 -6.429 1.00108.89 C ATOM 282 O ASN A 736 31.283 -1.047 -5.722 1.00115.33 O ATOM 283 CB ASN A 736 34.138 -0.313 -8.041 1.00115.70 C ATOM 284 CG ASN A 736 33.855 -0.898 -9.408 1.00109.67 C ATOM 285 OD1 ASN A 736 33.538 -2.078 -9.521 1.00127.54 O ATOM 286 ND2 ASN A 736 33.949 -0.072 -10.451 1.00 93.47 N ATOM 0 H ASN A 736 33.726 0.946 -5.783 1.00101.84 H new ATOM 0 HA ASN A 736 32.180 0.127 -7.910 1.00109.49 H new ATOM 0 HB2 ASN A 736 34.625 0.520 -8.143 1.00115.70 H new ATOM 0 HB3 ASN A 736 34.712 -0.918 -7.545 1.00115.70 H new ATOM 0 HD21 ASN A 736 33.784 -0.361 -11.244 1.00 93.47 H new ATOM 0 HD22 ASN A 736 34.174 0.749 -10.330 1.00 93.47 H new ATOM 287 N LYS A 737 32.876 -2.444 -6.512 1.00106.85 N ATOM 288 CA LYS A 737 32.379 -3.648 -5.825 1.00106.36 C ATOM 289 C LYS A 737 31.022 -4.073 -6.404 1.00102.25 C ATOM 290 O LYS A 737 29.975 -3.553 -6.018 1.00 99.70 O ATOM 291 CB LYS A 737 32.314 -3.468 -4.287 1.00 98.75 C ATOM 0 H LYS A 737 33.588 -2.582 -6.974 1.00106.85 H new ATOM 0 HA LYS A 737 33.017 -4.361 -5.986 1.00106.36 H new ATOM 292 N ASN A 738 31.060 -4.982 -7.373 1.00 93.43 N ATOM 293 CA ASN A 738 29.857 -5.663 -7.859 1.00 91.16 C ATOM 294 C ASN A 738 30.121 -7.148 -7.711 1.00 90.38 C ATOM 295 O ASN A 738 31.101 -7.614 -8.259 1.00107.21 O ATOM 296 CB ASN A 738 29.596 -5.317 -9.317 1.00 93.48 C ATOM 297 CG ASN A 738 29.856 -3.846 -9.615 1.00 94.50 C ATOM 298 OD1 ASN A 738 30.949 -3.326 -9.362 1.00 85.91 O ATOM 299 ND2 ASN A 738 28.849 -3.168 -10.143 1.00 94.67 N ATOM 0 H ASN A 738 31.784 -5.224 -7.770 1.00 93.43 H new ATOM 0 HA ASN A 738 29.074 -5.390 -7.356 1.00 91.16 H new ATOM 0 HB2 ASN A 738 30.161 -5.865 -9.884 1.00 93.48 H new ATOM 0 HB3 ASN A 738 28.677 -5.533 -9.539 1.00 93.48 H new ATOM 0 HD21 ASN A 738 28.941 -2.332 -10.324 1.00 94.67 H new ATOM 0 HD22 ASN A 738 28.103 -3.563 -10.305 1.00 94.67 H new ATOM 300 N PRO A 739 29.345 -7.893 -6.928 1.00 84.89 N ATOM 301 CA PRO A 739 28.294 -7.376 -6.082 1.00 81.17 C ATOM 302 C PRO A 739 28.775 -6.574 -4.841 1.00 72.53 C ATOM 303 O PRO A 739 29.951 -6.643 -4.427 1.00 63.27 O ATOM 304 CB PRO A 739 27.585 -8.655 -5.634 1.00 88.45 C ATOM 305 CG PRO A 739 28.659 -9.706 -5.614 1.00 87.11 C ATOM 306 CD PRO A 739 29.792 -9.224 -6.474 1.00 83.34 C ATOM 0 HA PRO A 739 27.750 -6.733 -6.562 1.00 81.17 H new ATOM 0 HB2 PRO A 739 27.184 -8.546 -4.758 1.00 88.45 H new ATOM 0 HB3 PRO A 739 26.871 -8.894 -6.245 1.00 88.45 H new ATOM 0 HG2 PRO A 739 28.964 -9.862 -4.707 1.00 87.11 H new ATOM 0 HG3 PRO A 739 28.315 -10.550 -5.947 1.00 87.11 H new ATOM 0 HD2 PRO A 739 30.621 -9.170 -5.974 1.00 83.34 H new ATOM 0 HD3 PRO A 739 29.951 -9.821 -7.222 1.00 83.34 H new ATOM 307 N TRP A 740 27.835 -5.825 -4.266 1.00 56.47 N ATOM 308 CA TRP A 740 28.058 -5.084 -3.015 1.00 51.50 C ATOM 309 C TRP A 740 27.189 -5.667 -1.912 1.00 43.78 C ATOM 310 O TRP A 740 25.999 -5.982 -2.110 1.00 43.21 O ATOM 311 CB TRP A 740 27.771 -3.602 -3.222 1.00 50.77 C ATOM 312 CG TRP A 740 27.958 -2.792 -1.988 1.00 52.61 C ATOM 313 CD1 TRP A 740 29.133 -2.444 -1.397 1.00 52.49 C ATOM 314 CD2 TRP A 740 26.918 -2.188 -1.225 1.00 42.41 C ATOM 315 NE1 TRP A 740 28.887 -1.670 -0.287 1.00 48.49 N ATOM 316 CE2 TRP A 740 27.533 -1.507 -0.152 1.00 43.31 C ATOM 317 CE3 TRP A 740 25.522 -2.179 -1.335 1.00 42.00 C ATOM 318 CZ2 TRP A 740 26.810 -0.843 0.818 1.00 36.77 C ATOM 319 CZ3 TRP A 740 24.778 -1.480 -0.363 1.00 42.20 C ATOM 320 CH2 TRP A 740 25.446 -0.801 0.682 1.00 40.44 C ATOM 0 H TRP A 740 27.044 -5.729 -4.590 1.00 56.47 H new ATOM 0 HA TRP A 740 28.987 -5.171 -2.749 1.00 51.50 H new ATOM 0 HB2 TRP A 740 28.353 -3.260 -3.918 1.00 50.77 H new ATOM 0 HB3 TRP A 740 26.860 -3.496 -3.537 1.00 50.77 H new ATOM 0 HD1 TRP A 740 29.977 -2.692 -1.699 1.00 52.49 H new ATOM 0 HE1 TRP A 740 29.485 -1.342 0.237 1.00 48.49 H new ATOM 0 HE3 TRP A 740 25.096 -2.623 -2.032 1.00 42.00 H new ATOM 0 HZ2 TRP A 740 27.234 -0.438 1.540 1.00 36.77 H new ATOM 0 HZ3 TRP A 740 23.849 -1.465 -0.409 1.00 42.20 H new ATOM 0 HH2 TRP A 740 24.946 -0.312 1.295 1.00 40.44 H new ATOM 321 N SER A 741 27.787 -5.867 -0.744 1.00 39.36 N ATOM 322 CA SER A 741 27.043 -6.343 0.409 1.00 38.88 C ATOM 323 C SER A 741 27.108 -5.220 1.488 1.00 33.56 C ATOM 324 O SER A 741 28.138 -4.685 1.784 1.00 29.66 O ATOM 325 CB SER A 741 27.601 -7.671 0.901 1.00 46.72 C ATOM 326 OG SER A 741 26.907 -8.771 0.306 1.00 49.79 O ATOM 0 H SER A 741 28.624 -5.732 -0.600 1.00 39.36 H new ATOM 0 HA SER A 741 26.116 -6.520 0.186 1.00 38.88 H new ATOM 0 HB2 SER A 741 28.546 -7.727 0.688 1.00 46.72 H new ATOM 0 HB3 SER A 741 27.524 -7.720 1.867 1.00 46.72 H new ATOM 0 HG SER A 741 26.114 -8.785 0.583 1.00 49.79 H new ATOM 327 N CYS A 742 25.952 -4.833 1.963 1.00 30.79 N ATOM 328 CA CYS A 742 25.801 -3.866 3.084 1.00 31.31 C ATOM 329 C CYS A 742 26.324 -4.424 4.429 1.00 29.14 C ATOM 330 O CYS A 742 26.489 -5.646 4.673 1.00 27.55 O ATOM 331 CB CYS A 742 24.260 -3.493 3.251 1.00 25.16 C ATOM 332 SG CYS A 742 23.162 -4.507 4.187 1.00 30.00 S ATOM 0 H CYS A 742 25.202 -5.117 1.653 1.00 30.79 H new ATOM 0 HA CYS A 742 26.331 -3.085 2.862 1.00 31.31 H new ATOM 0 HB2 CYS A 742 24.226 -2.606 3.641 1.00 25.16 H new ATOM 0 HB3 CYS A 742 23.888 -3.425 2.358 1.00 25.16 H new ATOM 333 N ILE A 743 26.413 -3.500 5.375 1.00 27.92 N ATOM 334 CA ILE A 743 26.899 -3.758 6.724 1.00 24.68 C ATOM 335 C ILE A 743 26.051 -4.779 7.482 1.00 25.11 C ATOM 336 O ILE A 743 26.601 -5.600 8.217 1.00 24.73 O ATOM 337 CB ILE A 743 27.071 -2.464 7.492 1.00 26.25 C ATOM 338 CG1 ILE A 743 27.890 -2.788 8.772 1.00 26.48 C ATOM 339 CG2 ILE A 743 25.725 -1.808 7.727 1.00 24.42 C ATOM 340 CD1 ILE A 743 28.478 -1.566 9.389 1.00 33.03 C ATOM 0 H ILE A 743 26.186 -2.681 5.247 1.00 27.92 H new ATOM 0 HA ILE A 743 27.774 -4.168 6.637 1.00 24.68 H new ATOM 0 HB ILE A 743 27.572 -1.799 6.994 1.00 26.25 H new ATOM 0 HG12 ILE A 743 27.317 -3.230 9.417 1.00 26.48 H new ATOM 0 HG13 ILE A 743 28.600 -3.410 8.550 1.00 26.48 H new ATOM 0 HG21 ILE A 743 25.849 -0.981 8.219 1.00 24.42 H new ATOM 0 HG22 ILE A 743 25.305 -1.616 6.874 1.00 24.42 H new ATOM 0 HG23 ILE A 743 25.158 -2.406 8.239 1.00 24.42 H new ATOM 0 HD11 ILE A 743 28.979 -1.813 10.182 1.00 33.03 H new ATOM 0 HD12 ILE A 743 29.071 -1.136 8.753 1.00 33.03 H new ATOM 0 HD13 ILE A 743 27.767 -0.953 9.634 1.00 33.03 H new ATOM 341 N PHE A 744 24.732 -4.830 7.238 1.00 25.33 N ATOM 342 CA PHE A 744 23.920 -5.840 7.856 1.00 27.21 C ATOM 343 C PHE A 744 24.347 -7.248 7.390 1.00 28.73 C ATOM 344 O PHE A 744 24.427 -8.218 8.206 1.00 29.40 O ATOM 345 CB PHE A 744 22.384 -5.663 7.622 1.00 28.79 C ATOM 346 CG PHE A 744 21.768 -4.439 8.267 1.00 26.32 C ATOM 347 CD1 PHE A 744 21.932 -3.212 7.705 1.00 27.51 C ATOM 348 CD2 PHE A 744 20.992 -4.559 9.408 1.00 25.60 C ATOM 349 CE1 PHE A 744 21.362 -2.056 8.300 1.00 28.54 C ATOM 350 CE2 PHE A 744 20.392 -3.456 9.994 1.00 29.08 C ATOM 351 CZ PHE A 744 20.572 -2.191 9.437 1.00 25.50 C ATOM 0 H PHE A 744 24.309 -4.288 6.721 1.00 25.33 H new ATOM 0 HA PHE A 744 24.071 -5.737 8.809 1.00 27.21 H new ATOM 0 HB2 PHE A 744 22.220 -5.624 6.667 1.00 28.79 H new ATOM 0 HB3 PHE A 744 21.928 -6.451 7.957 1.00 28.79 H new ATOM 0 HD1 PHE A 744 22.424 -3.129 6.920 1.00 27.51 H new ATOM 0 HD2 PHE A 744 20.871 -5.399 9.789 1.00 25.60 H new ATOM 0 HE1 PHE A 744 21.515 -1.215 7.933 1.00 28.54 H new ATOM 0 HE2 PHE A 744 19.870 -3.559 10.757 1.00 29.08 H new ATOM 0 HZ PHE A 744 20.169 -1.446 9.821 1.00 25.50 H new ATOM 352 N CYS A 745 24.605 -7.368 6.095 1.00 32.01 N ATOM 353 CA CYS A 745 25.047 -8.674 5.507 1.00 33.27 C ATOM 354 C CYS A 745 26.440 -9.058 6.019 1.00 34.42 C ATOM 355 O CYS A 745 26.684 -10.224 6.367 1.00 31.20 O ATOM 356 CB CYS A 745 25.033 -8.589 3.966 1.00 32.51 C ATOM 357 SG CYS A 745 23.312 -8.609 3.401 1.00 38.53 S ATOM 0 H CYS A 745 24.537 -6.725 5.528 1.00 32.01 H new ATOM 0 HA CYS A 745 24.428 -9.366 5.786 1.00 33.27 H new ATOM 0 HB2 CYS A 745 25.475 -7.778 3.670 1.00 32.51 H new ATOM 0 HB3 CYS A 745 25.522 -9.335 3.583 1.00 32.51 H new ATOM 358 N ARG A 746 27.324 -8.069 6.098 1.00 28.50 N ATOM 359 CA ARG A 746 28.669 -8.323 6.557 1.00 31.75 C ATOM 360 C ARG A 746 28.683 -8.756 8.022 1.00 33.48 C ATOM 361 O ARG A 746 29.437 -9.667 8.368 1.00 33.04 O ATOM 362 CB ARG A 746 29.577 -7.167 6.306 1.00 32.21 C ATOM 363 CG ARG A 746 29.743 -6.916 4.826 1.00 34.80 C ATOM 364 CD ARG A 746 30.403 -5.618 4.566 1.00 38.23 C ATOM 365 NE ARG A 746 31.760 -5.624 5.061 1.00 49.56 N ATOM 366 CZ ARG A 746 32.555 -4.551 5.115 1.00 57.94 C ATOM 367 NH1 ARG A 746 32.104 -3.345 4.695 1.00 64.51 N ATOM 368 NH2 ARG A 746 33.803 -4.682 5.577 1.00 49.28 N ATOM 0 H ARG A 746 27.160 -7.251 5.890 1.00 28.50 H new ATOM 0 HA ARG A 746 29.016 -9.062 6.034 1.00 31.75 H new ATOM 0 HB2 ARG A 746 29.220 -6.373 6.733 1.00 32.21 H new ATOM 0 HB3 ARG A 746 30.443 -7.340 6.707 1.00 32.21 H new ATOM 0 HG2 ARG A 746 30.267 -7.631 4.432 1.00 34.80 H new ATOM 0 HG3 ARG A 746 28.874 -6.930 4.395 1.00 34.80 H new ATOM 0 HD2 ARG A 746 30.403 -5.435 3.613 1.00 38.23 H new ATOM 0 HD3 ARG A 746 29.902 -4.905 4.992 1.00 38.23 H new ATOM 0 HE ARG A 746 32.079 -6.372 5.341 1.00 49.56 H new ATOM 0 HH11 ARG A 746 31.303 -3.267 4.392 1.00 64.51 H new ATOM 0 HH12 ARG A 746 32.619 -2.657 4.731 1.00 64.51 H new ATOM 0 HH21 ARG A 746 34.087 -5.451 5.836 1.00 49.28 H new ATOM 0 HH22 ARG A 746 34.321 -3.997 5.615 1.00 49.28 H new ATOM 369 N ILE A 747 27.819 -8.183 8.861 1.00 29.77 N ATOM 370 CA ILE A 747 27.713 -8.577 10.265 1.00 29.46 C ATOM 371 C ILE A 747 27.131 -10.003 10.394 1.00 30.35 C ATOM 372 O ILE A 747 27.635 -10.832 11.176 1.00 27.83 O ATOM 373 CB ILE A 747 26.865 -7.605 11.084 1.00 28.37 C ATOM 374 CG1 ILE A 747 27.571 -6.283 11.227 1.00 28.04 C ATOM 375 CG2 ILE A 747 26.560 -8.192 12.426 1.00 33.87 C ATOM 376 CD1 ILE A 747 28.795 -6.232 12.125 1.00 27.88 C ATOM 0 H ILE A 747 27.278 -7.555 8.631 1.00 29.77 H new ATOM 0 HA ILE A 747 28.614 -8.559 10.623 1.00 29.46 H new ATOM 0 HB ILE A 747 26.028 -7.452 10.619 1.00 28.37 H new ATOM 0 HG12 ILE A 747 27.837 -5.989 10.342 1.00 28.04 H new ATOM 0 HG13 ILE A 747 26.929 -5.636 11.559 1.00 28.04 H new ATOM 0 HG21 ILE A 747 26.022 -7.568 12.938 1.00 33.87 H new ATOM 0 HG22 ILE A 747 26.071 -9.022 12.313 1.00 33.87 H new ATOM 0 HG23 ILE A 747 27.389 -8.367 12.899 1.00 33.87 H new ATOM 0 HD11 ILE A 747 29.154 -5.331 12.132 1.00 27.88 H new ATOM 0 HD12 ILE A 747 28.546 -6.487 13.027 1.00 27.88 H new ATOM 0 HD13 ILE A 747 29.468 -6.846 11.791 1.00 27.88 H new ATOM 377 N LYS A 748 26.128 -10.308 9.606 1.00 32.93 N ATOM 378 CA LYS A 748 25.551 -11.664 9.617 1.00 38.15 C ATOM 379 C LYS A 748 26.614 -12.688 9.197 1.00 35.87 C ATOM 380 O LYS A 748 26.748 -13.701 9.835 1.00 35.95 O ATOM 381 CB LYS A 748 24.312 -11.738 8.732 1.00 40.37 C ATOM 382 CG LYS A 748 23.600 -13.089 8.785 1.00 51.60 C ATOM 383 CD LYS A 748 22.722 -13.351 7.555 1.00 66.28 C ATOM 384 CE LYS A 748 21.659 -12.278 7.335 1.00 75.46 C ATOM 385 NZ LYS A 748 20.758 -12.044 8.506 1.00 86.07 N ATOM 0 H LYS A 748 25.757 -9.761 9.055 1.00 32.93 H new ATOM 0 HA LYS A 748 25.267 -11.878 10.519 1.00 38.15 H new ATOM 0 HB2 LYS A 748 23.691 -11.043 9.000 1.00 40.37 H new ATOM 0 HB3 LYS A 748 24.568 -11.552 7.815 1.00 40.37 H new ATOM 0 HG2 LYS A 748 24.261 -13.795 8.861 1.00 51.60 H new ATOM 0 HG3 LYS A 748 23.050 -13.128 9.583 1.00 51.60 H new ATOM 0 HD2 LYS A 748 23.286 -13.405 6.768 1.00 66.28 H new ATOM 0 HD3 LYS A 748 22.288 -14.213 7.653 1.00 66.28 H new ATOM 0 HE2 LYS A 748 22.100 -11.444 7.110 1.00 75.46 H new ATOM 0 HE3 LYS A 748 21.117 -12.528 6.570 1.00 75.46 H new ATOM 0 HZ1 LYS A 748 20.168 -11.409 8.305 1.00 86.07 H new ATOM 0 HZ2 LYS A 748 20.327 -12.797 8.704 1.00 86.07 H new ATOM 0 HZ3 LYS A 748 21.242 -11.787 9.207 1.00 86.07 H new ATOM 386 N THR A 749 27.435 -12.377 8.206 1.00 34.11 N ATOM 387 CA THR A 749 28.495 -13.305 7.814 1.00 35.68 C ATOM 388 C THR A 749 29.497 -13.643 8.924 1.00 44.97 C ATOM 389 O THR A 749 29.925 -14.822 9.063 1.00 39.63 O ATOM 390 CB THR A 749 29.229 -12.735 6.590 1.00 40.41 C ATOM 391 OG1 THR A 749 28.286 -12.693 5.534 1.00 45.07 O ATOM 392 CG2 THR A 749 30.425 -13.592 6.174 1.00 42.57 C ATOM 0 H THR A 749 27.401 -11.648 7.752 1.00 34.11 H new ATOM 0 HA THR A 749 28.060 -14.146 7.604 1.00 35.68 H new ATOM 0 HB THR A 749 29.581 -11.857 6.805 1.00 40.41 H new ATOM 0 HG1 THR A 749 27.777 -12.033 5.639 1.00 45.07 H new ATOM 0 HG21 THR A 749 30.855 -13.194 5.401 1.00 42.57 H new ATOM 0 HG22 THR A 749 31.059 -13.641 6.907 1.00 42.57 H new ATOM 0 HG23 THR A 749 30.121 -14.486 5.950 1.00 42.57 H new ATOM 393 N ILE A 750 29.878 -12.639 9.724 1.00 45.85 N ATOM 394 CA ILE A 750 30.786 -12.834 10.856 1.00 43.39 C ATOM 395 C ILE A 750 30.238 -13.862 11.805 1.00 45.75 C ATOM 396 O ILE A 750 30.996 -14.750 12.227 1.00 50.52 O ATOM 397 CB ILE A 750 31.064 -11.580 11.734 1.00 49.82 C ATOM 398 CG1 ILE A 750 31.567 -10.374 10.953 1.00 53.76 C ATOM 399 CG2 ILE A 750 32.084 -11.906 12.824 1.00 50.32 C ATOM 400 CD1 ILE A 750 32.615 -10.692 9.924 1.00 59.02 C ATOM 0 H ILE A 750 29.615 -11.826 9.623 1.00 45.85 H new ATOM 0 HA ILE A 750 31.613 -13.096 10.422 1.00 43.39 H new ATOM 0 HB ILE A 750 30.205 -11.342 12.116 1.00 49.82 H new ATOM 0 HG12 ILE A 750 30.814 -9.952 10.511 1.00 53.76 H new ATOM 0 HG13 ILE A 750 31.929 -9.726 11.578 1.00 53.76 H new ATOM 0 HG21 ILE A 750 32.247 -11.116 13.362 1.00 50.32 H new ATOM 0 HG22 ILE A 750 31.739 -12.616 13.388 1.00 50.32 H new ATOM 0 HG23 ILE A 750 32.915 -12.194 12.414 1.00 50.32 H new ATOM 0 HD11 ILE A 750 32.883 -9.877 9.472 1.00 59.02 H new ATOM 0 HD12 ILE A 750 33.386 -11.088 10.359 1.00 59.02 H new ATOM 0 HD13 ILE A 750 32.254 -11.317 9.276 1.00 59.02 H new ATOM 401 N GLN A 751 28.953 -13.746 12.159 1.00 46.95 N ATOM 402 CA GLN A 751 28.294 -14.680 13.094 1.00 51.36 C ATOM 403 C GLN A 751 28.165 -16.093 12.516 1.00 52.46 C ATOM 404 O GLN A 751 28.314 -17.079 13.240 1.00 55.05 O ATOM 405 CB GLN A 751 26.877 -14.240 13.436 1.00 55.62 C ATOM 406 CG GLN A 751 26.779 -12.929 14.160 1.00 63.29 C ATOM 407 CD GLN A 751 25.351 -12.425 14.200 1.00 66.28 C ATOM 408 OE1 GLN A 751 24.403 -13.164 13.902 1.00 67.70 O ATOM 409 NE2 GLN A 751 25.192 -11.164 14.550 1.00 63.69 N ATOM 0 H GLN A 751 28.436 -13.125 11.866 1.00 46.95 H new ATOM 0 HA GLN A 751 28.863 -14.679 13.880 1.00 51.36 H new ATOM 0 HB2 GLN A 751 26.364 -14.180 12.615 1.00 55.62 H new ATOM 0 HB3 GLN A 751 26.462 -14.927 13.980 1.00 55.62 H new ATOM 0 HG2 GLN A 751 27.113 -13.032 15.065 1.00 63.29 H new ATOM 0 HG3 GLN A 751 27.343 -12.273 13.722 1.00 63.29 H new ATOM 0 HE21 GLN A 751 25.877 -10.684 14.750 1.00 63.69 H new ATOM 0 HE22 GLN A 751 24.404 -10.822 14.579 1.00 63.69 H new ATOM 410 N GLU A 752 27.832 -16.165 11.226 1.00 49.07 N ATOM 411 CA GLU A 752 27.744 -17.436 10.499 1.00 48.39 C ATOM 412 C GLU A 752 29.085 -18.187 10.429 1.00 47.30 C ATOM 413 O GLU A 752 29.151 -19.403 10.661 1.00 53.62 O ATOM 414 CB GLU A 752 27.161 -17.224 9.095 1.00 47.17 C ATOM 415 CG GLU A 752 25.677 -16.925 9.150 1.00 53.09 C ATOM 416 CD GLU A 752 25.110 -16.535 7.794 1.00 62.01 C ATOM 417 OE1 GLU A 752 25.899 -16.425 6.816 1.00 59.28 O ATOM 418 OE2 GLU A 752 23.864 -16.329 7.726 1.00 69.52 O ATOM 0 H GLU A 752 27.650 -15.476 10.745 1.00 49.07 H new ATOM 0 HA GLU A 752 27.141 -18.001 11.007 1.00 48.39 H new ATOM 0 HB2 GLU A 752 27.624 -16.492 8.658 1.00 47.17 H new ATOM 0 HB3 GLU A 752 27.313 -18.017 8.557 1.00 47.17 H new ATOM 0 HG2 GLU A 752 25.205 -17.705 9.482 1.00 53.09 H new ATOM 0 HG3 GLU A 752 25.518 -16.207 9.782 1.00 53.09 H new ATOM 419 N ARG A 753 30.151 -17.469 10.147 1.00 47.92 N ATOM 420 CA ARG A 753 31.477 -18.058 10.187 1.00 47.35 C ATOM 421 C ARG A 753 31.890 -18.533 11.583 1.00 54.36 C ATOM 422 O ARG A 753 32.552 -19.563 11.652 1.00 64.49 O ATOM 423 CB ARG A 753 32.541 -17.146 9.590 1.00 48.94 C ATOM 424 CG ARG A 753 32.384 -17.013 8.072 1.00 57.86 C ATOM 425 CD ARG A 753 33.425 -16.102 7.384 1.00 63.25 C ATOM 426 NE ARG A 753 33.469 -16.388 5.944 1.00 63.20 N ATOM 427 CZ ARG A 753 33.825 -15.535 4.987 1.00 70.08 C ATOM 428 NH1 ARG A 753 34.214 -14.286 5.262 1.00 69.10 N ATOM 429 NH2 ARG A 753 33.791 -15.946 3.722 1.00 74.91 N ATOM 0 H ARG A 753 30.132 -16.637 9.929 1.00 47.92 H new ATOM 0 HA ARG A 753 31.415 -18.848 9.627 1.00 47.35 H new ATOM 0 HB2 ARG A 753 32.483 -16.269 10.000 1.00 48.94 H new ATOM 0 HB3 ARG A 753 33.421 -17.497 9.795 1.00 48.94 H new ATOM 0 HG2 ARG A 753 32.437 -17.897 7.676 1.00 57.86 H new ATOM 0 HG3 ARG A 753 31.497 -16.669 7.881 1.00 57.86 H new ATOM 0 HD2 ARG A 753 33.197 -15.170 7.530 1.00 63.25 H new ATOM 0 HD3 ARG A 753 34.300 -16.245 7.777 1.00 63.25 H new ATOM 0 HE ARG A 753 33.244 -17.180 5.697 1.00 63.20 H new ATOM 0 HH11 ARG A 753 34.239 -14.013 6.077 1.00 69.10 H new ATOM 0 HH12 ARG A 753 34.439 -13.755 4.624 1.00 69.10 H new ATOM 0 HH21 ARG A 753 33.543 -16.748 3.537 1.00 74.91 H new ATOM 0 HH22 ARG A 753 34.017 -15.409 3.089 1.00 74.91 H new ATOM 430 N CYS A 754 31.488 -17.848 12.669 1.00 42.61 N ATOM 431 CA ACYS A 754 31.904 -18.221 14.035 0.55 45.42 C ATOM 432 CA BCYS A 754 31.954 -18.170 14.042 0.45 43.17 C ATOM 433 C CYS A 754 30.736 -18.149 14.977 1.00 42.19 C ATOM 434 O CYS A 754 30.563 -17.171 15.706 1.00 35.50 O ATOM 435 CB ACYS A 754 33.042 -17.345 14.502 0.55 47.93 C ATOM 436 CB BCYS A 754 33.049 -17.143 14.451 0.45 43.59 C ATOM 437 SG ACYS A 754 34.515 -17.772 13.579 0.55 57.17 S ATOM 438 SG BCYS A 754 34.044 -17.345 15.976 0.45 43.81 S ATOM 0 H ACYS A 754 30.972 -17.161 12.634 0.55 42.61 H new ATOM 0 H BCYS A 754 30.940 -17.186 12.634 0.45 42.61 H new ATOM 0 HA ACYS A 754 32.222 -19.137 14.024 0.55 43.17 H new ATOM 0 HA BCYS A 754 32.353 -19.052 14.094 0.45 43.17 H new ATOM 0 HB2ACYS A 754 32.822 -16.410 14.369 0.55 43.59 H new ATOM 0 HB2BCYS A 754 33.676 -17.092 13.712 0.45 43.59 H new ATOM 0 HB3ACYS A 754 33.193 -17.469 15.452 0.55 43.59 H new ATOM 0 HB3BCYS A 754 32.613 -16.279 14.513 0.45 43.59 H new ATOM 0 HG ACYS A 754 35.428 -17.081 13.939 0.55 43.81 H new ATOM 0 HG BCYS A 754 34.818 -16.433 16.073 0.45 43.81 H new ATOM 439 N PRO A 755 29.880 -19.215 14.952 1.00 41.33 N ATOM 440 CA PRO A 755 28.647 -19.197 15.743 1.00 41.08 C ATOM 441 C PRO A 755 28.866 -18.986 17.248 1.00 39.69 C ATOM 442 O PRO A 755 27.992 -18.381 17.907 1.00 36.85 O ATOM 443 CB PRO A 755 27.995 -20.569 15.457 1.00 48.75 C ATOM 444 CG PRO A 755 28.605 -21.020 14.161 1.00 46.41 C ATOM 445 CD PRO A 755 29.998 -20.467 14.157 1.00 46.16 C ATOM 0 HA PRO A 755 28.091 -18.443 15.491 1.00 41.08 H new ATOM 0 HB2 PRO A 755 28.177 -21.201 16.170 1.00 48.75 H new ATOM 0 HB3 PRO A 755 27.031 -20.492 15.385 1.00 48.75 H new ATOM 0 HG2 PRO A 755 28.614 -21.988 14.098 1.00 46.41 H new ATOM 0 HG3 PRO A 755 28.097 -20.691 13.403 1.00 46.41 H new ATOM 0 HD2 PRO A 755 30.629 -21.086 14.557 1.00 46.16 H new ATOM 0 HD3 PRO A 755 30.309 -20.289 13.255 1.00 46.16 H new ATOM 446 N GLU A 756 30.040 -19.389 17.743 1.00 36.92 N ATOM 447 CA GLU A 756 30.394 -19.240 19.143 1.00 40.99 C ATOM 448 C GLU A 756 30.632 -17.792 19.551 1.00 41.91 C ATOM 449 O GLU A 756 30.627 -17.482 20.755 1.00 35.04 O ATOM 450 CB GLU A 756 31.591 -20.132 19.507 1.00 42.91 C ATOM 451 CG GLU A 756 32.941 -19.719 18.951 1.00 55.43 C ATOM 452 CD GLU A 756 33.239 -20.174 17.503 1.00 64.67 C ATOM 453 OE1 GLU A 756 32.317 -20.504 16.676 1.00 59.92 O ATOM 454 OE2 GLU A 756 34.449 -20.181 17.164 1.00 76.41 O ATOM 0 H GLU A 756 30.653 -19.758 17.266 1.00 36.92 H new ATOM 0 HA GLU A 756 29.625 -19.538 19.654 1.00 40.99 H new ATOM 0 HB2 GLU A 756 31.660 -20.167 20.474 1.00 42.91 H new ATOM 0 HB3 GLU A 756 31.401 -21.033 19.203 1.00 42.91 H new ATOM 0 HG2 GLU A 756 33.005 -18.752 18.988 1.00 55.43 H new ATOM 0 HG3 GLU A 756 33.633 -20.072 19.532 1.00 55.43 H new ATOM 455 N SER A 757 30.823 -16.907 18.543 1.00 37.68 N ATOM 456 CA SER A 757 30.921 -15.451 18.759 1.00 37.13 C ATOM 457 C SER A 757 29.642 -14.873 19.405 1.00 38.89 C ATOM 458 O SER A 757 29.695 -13.821 19.970 1.00 36.46 O ATOM 459 CB SER A 757 31.204 -14.725 17.422 1.00 35.52 C ATOM 460 OG SER A 757 30.037 -14.740 16.553 1.00 40.74 O ATOM 0 H SER A 757 30.898 -17.141 17.719 1.00 37.68 H new ATOM 0 HA SER A 757 31.658 -15.302 19.372 1.00 37.13 H new ATOM 0 HB2 SER A 757 31.466 -13.808 17.599 1.00 35.52 H new ATOM 0 HB3 SER A 757 31.950 -15.151 16.972 1.00 35.52 H new ATOM 0 HG SER A 757 29.990 -15.481 16.159 1.00 40.74 H new ATOM 461 N GLN A 758 28.506 -15.571 19.316 1.00 36.09 N ATOM 462 CA GLN A 758 27.290 -15.188 20.017 1.00 37.27 C ATOM 463 C GLN A 758 27.147 -15.662 21.463 1.00 32.36 C ATOM 464 O GLN A 758 26.182 -15.269 22.107 1.00 29.24 O ATOM 465 CB GLN A 758 26.060 -15.675 19.243 1.00 41.03 C ATOM 466 CG GLN A 758 25.946 -15.146 17.815 1.00 48.29 C ATOM 467 CD GLN A 758 25.015 -16.045 17.010 1.00 59.61 C ATOM 468 OE1 GLN A 758 25.433 -17.118 16.493 1.00 70.91 O ATOM 469 NE2 GLN A 758 23.738 -15.687 16.985 1.00 61.66 N ATOM 0 H GLN A 758 28.425 -16.284 18.842 1.00 36.09 H new ATOM 0 HA GLN A 758 27.355 -14.221 20.061 1.00 37.27 H new ATOM 0 HB2 GLN A 758 26.075 -16.644 19.214 1.00 41.03 H new ATOM 0 HB3 GLN A 758 25.263 -15.418 19.733 1.00 41.03 H new ATOM 0 HG2 GLN A 758 25.606 -14.237 17.823 1.00 48.29 H new ATOM 0 HG3 GLN A 758 26.822 -15.118 17.400 1.00 48.29 H new ATOM 0 HE21 GLN A 758 23.492 -14.948 17.349 1.00 61.66 H new ATOM 0 HE22 GLN A 758 23.157 -16.194 16.605 1.00 61.66 H new ATOM 470 N SER A 759 28.077 -16.460 21.994 1.00 26.45 N ATOM 471 CA SER A 759 28.031 -16.824 23.405 1.00 27.97 C ATOM 472 C SER A 759 28.306 -15.557 24.208 1.00 30.77 C ATOM 473 O SER A 759 28.998 -14.656 23.702 1.00 32.25 O ATOM 474 CB SER A 759 29.059 -17.933 23.766 1.00 27.86 C ATOM 475 OG SER A 759 28.711 -19.121 23.087 1.00 25.84 O ATOM 0 H SER A 759 28.736 -16.797 21.556 1.00 26.45 H new ATOM 0 HA SER A 759 27.158 -17.191 23.614 1.00 27.97 H new ATOM 0 HB2 SER A 759 29.954 -17.654 23.516 1.00 27.86 H new ATOM 0 HB3 SER A 759 29.066 -18.084 24.724 1.00 27.86 H new ATOM 0 HG SER A 759 29.291 -19.710 23.236 1.00 25.84 H new ATOM 476 N GLY A 760 27.821 -15.531 25.447 1.00 29.28 N ATOM 477 CA GLY A 760 27.835 -14.318 26.267 1.00 31.25 C ATOM 478 C GLY A 760 29.236 -13.880 26.609 1.00 33.16 C ATOM 479 O GLY A 760 30.128 -14.741 26.828 1.00 30.16 O ATOM 0 H GLY A 760 27.474 -16.215 25.837 1.00 29.28 H new ATOM 0 HA2 GLY A 760 27.381 -13.604 25.793 1.00 31.25 H new ATOM 0 HA3 GLY A 760 27.338 -14.476 27.085 1.00 31.25 H new ATOM 480 N HIS A 761 29.461 -12.557 26.598 1.00 28.34 N ATOM 481 CA HIS A 761 30.717 -11.968 26.993 1.00 28.47 C ATOM 482 C HIS A 761 30.527 -10.971 28.105 1.00 27.66 C ATOM 483 O HIS A 761 29.448 -10.460 28.296 1.00 26.73 O ATOM 484 CB HIS A 761 31.367 -11.209 25.828 1.00 31.78 C ATOM 485 CG HIS A 761 31.645 -12.058 24.645 1.00 33.58 C ATOM 486 ND1 HIS A 761 30.692 -12.333 23.697 1.00 35.13 N ATOM 487 CD2 HIS A 761 32.783 -12.640 24.219 1.00 38.94 C ATOM 488 CE1 HIS A 761 31.230 -13.060 22.738 1.00 39.69 C ATOM 489 NE2 HIS A 761 32.495 -13.270 23.039 1.00 40.95 N ATOM 0 H HIS A 761 28.870 -11.981 26.355 1.00 28.34 H new ATOM 0 HA HIS A 761 31.280 -12.703 27.282 1.00 28.47 H new ATOM 0 HB2 HIS A 761 30.785 -10.479 25.563 1.00 31.78 H new ATOM 0 HB3 HIS A 761 32.198 -10.813 26.134 1.00 31.78 H new ATOM 0 HD1 HIS A 761 29.873 -12.072 23.724 1.00 35.13 H new ATOM 0 HD2 HIS A 761 33.609 -12.618 24.646 1.00 38.94 H new ATOM 0 HE1 HIS A 761 30.792 -13.371 21.979 1.00 39.69 H new ATOM 490 N GLN A 762 31.613 -10.705 28.829 1.00 27.87 N ATOM 491 CA GLN A 762 31.665 -9.656 29.835 1.00 30.79 C ATOM 492 C GLN A 762 32.002 -8.320 29.132 1.00 25.95 C ATOM 493 O GLN A 762 32.885 -8.288 28.298 1.00 24.46 O ATOM 494 CB GLN A 762 32.768 -9.914 30.856 1.00 34.30 C ATOM 495 CG GLN A 762 32.546 -11.146 31.766 1.00 40.31 C ATOM 496 CD GLN A 762 31.252 -11.080 32.526 1.00 45.24 C ATOM 497 OE1 GLN A 762 30.287 -11.799 32.209 1.00 53.22 O ATOM 498 NE2 GLN A 762 31.191 -10.198 33.520 1.00 49.89 N ATOM 0 H GLN A 762 32.351 -11.139 28.745 1.00 27.87 H new ATOM 0 HA GLN A 762 30.807 -9.631 30.287 1.00 30.79 H new ATOM 0 HB2 GLN A 762 33.607 -10.026 30.383 1.00 34.30 H new ATOM 0 HB3 GLN A 762 32.861 -9.128 31.417 1.00 34.30 H new ATOM 0 HG2 GLN A 762 32.558 -11.950 31.224 1.00 40.31 H new ATOM 0 HG3 GLN A 762 33.282 -11.217 32.394 1.00 40.31 H new ATOM 0 HE21 GLN A 762 31.878 -9.718 33.711 1.00 49.89 H new ATOM 0 HE22 GLN A 762 30.464 -10.108 33.971 1.00 49.89 H new ATOM 499 N GLU A 763 31.267 -7.282 29.492 1.00 25.99 N ATOM 500 CA GLU A 763 31.502 -5.925 28.942 1.00 28.25 C ATOM 501 C GLU A 763 32.934 -5.494 29.099 1.00 26.72 C ATOM 502 O GLU A 763 33.541 -4.930 28.190 1.00 24.55 O ATOM 503 CB GLU A 763 30.591 -4.881 29.631 1.00 30.44 C ATOM 504 CG GLU A 763 30.778 -3.490 28.976 1.00 30.19 C ATOM 505 CD GLU A 763 29.861 -2.393 29.466 1.00 33.86 C ATOM 506 OE1 GLU A 763 28.648 -2.533 29.433 1.00 37.85 O ATOM 507 OE2 GLU A 763 30.354 -1.324 29.809 1.00 40.55 O ATOM 0 H GLU A 763 30.620 -7.327 30.056 1.00 25.99 H new ATOM 0 HA GLU A 763 31.291 -5.972 27.996 1.00 28.25 H new ATOM 0 HB2 GLU A 763 29.663 -5.156 29.562 1.00 30.44 H new ATOM 0 HB3 GLU A 763 30.803 -4.831 30.576 1.00 30.44 H new ATOM 0 HG2 GLU A 763 31.695 -3.207 29.118 1.00 30.19 H new ATOM 0 HG3 GLU A 763 30.655 -3.585 28.018 1.00 30.19 H new ATOM 508 N SER A 764 33.527 -5.803 30.266 1.00 28.47 N ATOM 509 CA SER A 764 34.912 -5.319 30.528 1.00 27.81 C ATOM 510 C SER A 764 35.893 -5.953 29.543 1.00 27.05 C ATOM 511 O SER A 764 36.812 -5.286 29.088 1.00 29.98 O ATOM 512 CB SER A 764 35.291 -5.594 32.010 1.00 34.97 C ATOM 513 OG SER A 764 35.062 -6.979 32.321 1.00 37.69 O ATOM 0 H SER A 764 33.171 -6.268 30.895 1.00 28.47 H new ATOM 0 HA SER A 764 34.957 -4.360 30.389 1.00 27.81 H new ATOM 0 HB2 SER A 764 36.222 -5.369 32.162 1.00 34.97 H new ATOM 0 HB3 SER A 764 34.764 -5.030 32.598 1.00 34.97 H new ATOM 0 HG SER A 764 34.249 -7.096 32.497 1.00 37.69 H new ATOM 514 N GLU A 765 35.705 -7.228 29.169 1.00 26.29 N ATOM 515 CA GLU A 765 36.535 -7.858 28.164 1.00 27.51 C ATOM 516 C GLU A 765 36.316 -7.230 26.772 1.00 24.90 C ATOM 517 O GLU A 765 37.246 -6.980 26.040 1.00 24.04 O ATOM 518 CB GLU A 765 36.203 -9.382 28.071 1.00 31.51 C ATOM 519 CG GLU A 765 37.008 -10.130 26.988 1.00 36.84 C ATOM 520 CD GLU A 765 36.343 -10.277 25.581 1.00 40.50 C ATOM 521 OE1 GLU A 765 35.107 -10.515 25.472 1.00 43.16 O ATOM 522 OE2 GLU A 765 37.079 -10.196 24.552 1.00 41.31 O ATOM 0 H GLU A 765 35.094 -7.738 29.495 1.00 26.29 H new ATOM 0 HA GLU A 765 37.458 -7.726 28.430 1.00 27.51 H new ATOM 0 HB2 GLU A 765 36.374 -9.795 28.932 1.00 31.51 H new ATOM 0 HB3 GLU A 765 35.256 -9.488 27.889 1.00 31.51 H new ATOM 0 HG2 GLU A 765 37.856 -9.673 26.874 1.00 36.84 H new ATOM 0 HG3 GLU A 765 37.207 -11.019 27.321 1.00 36.84 H new ATOM 523 N VAL A 766 35.056 -7.009 26.422 1.00 23.81 N ATOM 524 CA VAL A 766 34.747 -6.385 25.121 1.00 22.71 C ATOM 525 C VAL A 766 35.413 -5.028 24.954 1.00 19.14 C ATOM 526 O VAL A 766 35.951 -4.722 23.874 1.00 22.33 O ATOM 527 CB VAL A 766 33.210 -6.301 24.964 1.00 25.80 C ATOM 528 CG1 VAL A 766 32.765 -5.484 23.737 1.00 26.36 C ATOM 529 CG2 VAL A 766 32.672 -7.721 24.824 1.00 27.96 C ATOM 0 H VAL A 766 34.372 -7.205 26.905 1.00 23.81 H new ATOM 0 HA VAL A 766 35.112 -6.938 24.413 1.00 22.71 H new ATOM 0 HB VAL A 766 32.860 -5.848 25.747 1.00 25.80 H new ATOM 0 HG11 VAL A 766 31.796 -5.468 23.693 1.00 26.36 H new ATOM 0 HG12 VAL A 766 33.100 -4.577 23.813 1.00 26.36 H new ATOM 0 HG13 VAL A 766 33.118 -5.892 22.931 1.00 26.36 H new ATOM 0 HG21 VAL A 766 31.708 -7.693 24.724 1.00 27.96 H new ATOM 0 HG22 VAL A 766 33.066 -8.141 24.043 1.00 27.96 H new ATOM 0 HG23 VAL A 766 32.900 -8.233 25.616 1.00 27.96 H new ATOM 530 N LEU A 767 35.334 -4.194 25.986 1.00 21.11 N ATOM 531 CA LEU A 767 35.880 -2.848 25.892 1.00 22.80 C ATOM 532 C LEU A 767 37.367 -2.815 25.626 1.00 26.65 C ATOM 533 O LEU A 767 37.877 -1.905 24.915 1.00 23.09 O ATOM 534 CB LEU A 767 35.515 -1.993 27.107 1.00 23.86 C ATOM 535 CG LEU A 767 34.024 -1.708 27.305 1.00 28.13 C ATOM 536 CD1 LEU A 767 33.808 -0.795 28.505 1.00 31.78 C ATOM 537 CD2 LEU A 767 33.310 -1.150 26.096 1.00 28.07 C ATOM 0 H LEU A 767 34.972 -4.387 26.742 1.00 21.11 H new ATOM 0 HA LEU A 767 35.457 -2.455 25.112 1.00 22.80 H new ATOM 0 HB2 LEU A 767 35.850 -2.435 27.903 1.00 23.86 H new ATOM 0 HB3 LEU A 767 35.981 -1.145 27.035 1.00 23.86 H new ATOM 0 HG LEU A 767 33.624 -2.578 27.463 1.00 28.13 H new ATOM 0 HD11 LEU A 767 32.859 -0.625 28.616 1.00 31.78 H new ATOM 0 HD12 LEU A 767 34.155 -1.222 29.304 1.00 31.78 H new ATOM 0 HD13 LEU A 767 34.272 0.045 28.361 1.00 31.78 H new ATOM 0 HD21 LEU A 767 32.376 -1.001 26.312 1.00 28.07 H new ATOM 0 HD22 LEU A 767 33.720 -0.310 25.837 1.00 28.07 H new ATOM 0 HD23 LEU A 767 33.375 -1.781 25.362 1.00 28.07 H new ATOM 538 N MET A 768 38.123 -3.763 26.235 1.00 27.16 N ATOM 539 CA MET A 768 39.555 -3.865 25.997 1.00 25.97 C ATOM 540 C MET A 768 39.993 -4.442 24.676 1.00 27.70 C ATOM 541 O MET A 768 41.192 -4.373 24.366 1.00 27.09 O ATOM 542 CB MET A 768 40.224 -4.676 27.127 1.00 32.60 C ATOM 543 CG MET A 768 40.149 -3.927 28.431 1.00 38.06 C ATOM 544 SD MET A 768 40.718 -2.186 28.371 1.00 61.57 S ATOM 545 CE MET A 768 42.427 -2.271 27.813 1.00 51.79 C ATOM 0 H MET A 768 37.811 -4.347 26.784 1.00 27.16 H new ATOM 0 HA MET A 768 39.842 -2.939 25.976 1.00 25.97 H new ATOM 0 HB2 MET A 768 39.786 -5.537 27.217 1.00 32.60 H new ATOM 0 HB3 MET A 768 41.151 -4.851 26.901 1.00 32.60 H new ATOM 0 HG2 MET A 768 39.230 -3.941 28.742 1.00 38.06 H new ATOM 0 HG3 MET A 768 40.679 -4.402 29.090 1.00 38.06 H new ATOM 0 HE1 MET A 768 42.785 -1.373 27.728 1.00 51.79 H new ATOM 0 HE2 MET A 768 42.954 -2.769 28.458 1.00 51.79 H new ATOM 0 HE3 MET A 768 42.465 -2.717 26.952 1.00 51.79 H new ATOM 546 N ARG A 769 39.069 -4.867 23.803 1.00 22.09 N ATOM 547 CA ARG A 769 39.492 -5.424 22.538 1.00 24.68 C ATOM 548 C ARG A 769 40.089 -4.351 21.666 1.00 28.63 C ATOM 549 O ARG A 769 39.570 -3.247 21.602 1.00 21.27 O ATOM 550 CB ARG A 769 38.354 -6.081 21.794 1.00 23.22 C ATOM 551 CG ARG A 769 37.832 -7.306 22.459 1.00 28.07 C ATOM 552 CD ARG A 769 36.700 -7.838 21.630 1.00 30.16 C ATOM 553 NE ARG A 769 35.949 -8.813 22.381 1.00 32.81 N ATOM 554 CZ ARG A 769 34.768 -9.294 22.005 1.00 32.13 C ATOM 555 NH1 ARG A 769 34.138 -8.814 20.934 1.00 35.71 N ATOM 556 NH2 ARG A 769 34.179 -10.200 22.748 1.00 36.11 N ATOM 0 H ARG A 769 38.219 -4.838 23.929 1.00 22.09 H new ATOM 0 HA ARG A 769 40.156 -6.102 22.739 1.00 24.68 H new ATOM 0 HB2 ARG A 769 37.630 -5.442 21.697 1.00 23.22 H new ATOM 0 HB3 ARG A 769 38.652 -6.310 20.900 1.00 23.22 H new ATOM 0 HG2 ARG A 769 38.533 -7.971 22.542 1.00 28.07 H new ATOM 0 HG3 ARG A 769 37.527 -7.101 23.357 1.00 28.07 H new ATOM 0 HD2 ARG A 769 36.119 -7.110 21.359 1.00 30.16 H new ATOM 0 HD3 ARG A 769 37.046 -8.241 20.819 1.00 30.16 H new ATOM 0 HE ARG A 769 36.286 -9.101 23.118 1.00 32.81 H new ATOM 0 HH11 ARG A 769 34.495 -8.182 20.473 1.00 35.71 H new ATOM 0 HH12 ARG A 769 33.374 -9.136 20.704 1.00 35.71 H new ATOM 0 HH21 ARG A 769 34.557 -10.476 23.469 1.00 36.11 H new ATOM 0 HH22 ARG A 769 33.415 -10.518 22.514 1.00 36.11 H new ATOM 557 N GLN A 770 41.145 -4.713 20.947 1.00 23.82 N ATOM 558 CA GLN A 770 41.700 -3.881 19.967 1.00 25.26 C ATOM 559 C GLN A 770 40.780 -3.729 18.738 1.00 25.31 C ATOM 560 O GLN A 770 40.073 -4.670 18.331 1.00 24.90 O ATOM 561 CB GLN A 770 43.070 -4.423 19.530 1.00 27.84 C ATOM 562 CG GLN A 770 44.045 -4.259 20.680 1.00 33.06 C ATOM 563 CD GLN A 770 45.416 -4.841 20.389 1.00 39.56 C ATOM 564 OE1 GLN A 770 45.791 -5.100 19.242 1.00 50.92 O ATOM 565 NE2 GLN A 770 46.151 -5.092 21.452 1.00 45.43 N ATOM 0 H GLN A 770 41.547 -5.468 21.037 1.00 23.82 H new ATOM 0 HA GLN A 770 41.805 -3.001 20.362 1.00 25.26 H new ATOM 0 HB2 GLN A 770 42.998 -5.358 19.280 1.00 27.84 H new ATOM 0 HB3 GLN A 770 43.388 -3.944 18.748 1.00 27.84 H new ATOM 0 HG2 GLN A 770 44.138 -3.316 20.886 1.00 33.06 H new ATOM 0 HG3 GLN A 770 43.679 -4.687 21.470 1.00 33.06 H new ATOM 0 HE21 GLN A 770 45.855 -4.897 22.235 1.00 45.43 H new ATOM 0 HE22 GLN A 770 46.927 -5.451 21.363 1.00 45.43 H new ATOM 566 N MET A 771 40.818 -2.550 18.152 1.00 22.32 N ATOM 567 CA MET A 771 39.993 -2.278 16.969 1.00 27.07 C ATOM 568 C MET A 771 40.555 -2.937 15.659 1.00 26.16 C ATOM 569 O MET A 771 40.935 -2.272 14.716 1.00 23.82 O ATOM 570 CB MET A 771 39.769 -0.781 16.813 1.00 26.38 C ATOM 571 CG MET A 771 38.885 -0.253 17.893 1.00 33.65 C ATOM 572 SD MET A 771 37.118 -0.592 17.488 1.00 30.38 S ATOM 573 CE MET A 771 36.685 1.056 16.943 1.00 33.18 C ATOM 0 H MET A 771 41.307 -1.892 18.412 1.00 22.32 H new ATOM 0 HA MET A 771 39.132 -2.700 17.115 1.00 27.07 H new ATOM 0 HB2 MET A 771 40.622 -0.320 16.835 1.00 26.38 H new ATOM 0 HB3 MET A 771 39.371 -0.599 15.947 1.00 26.38 H new ATOM 0 HG2 MET A 771 39.115 -0.666 18.740 1.00 33.65 H new ATOM 0 HG3 MET A 771 39.023 0.702 17.996 1.00 33.65 H new ATOM 0 HE1 MET A 771 35.766 1.064 16.634 1.00 33.18 H new ATOM 0 HE2 MET A 771 36.782 1.677 17.681 1.00 33.18 H new ATOM 0 HE3 MET A 771 37.272 1.322 16.218 1.00 33.18 H new ATOM 574 N LEU A 772 40.586 -4.269 15.646 1.00 27.47 N ATOM 575 CA LEU A 772 40.912 -5.011 14.452 1.00 27.53 C ATOM 576 C LEU A 772 39.670 -4.905 13.506 1.00 28.72 C ATOM 577 O LEU A 772 38.595 -4.517 13.985 1.00 26.11 O ATOM 578 CB LEU A 772 41.146 -6.461 14.840 1.00 29.26 C ATOM 579 CG LEU A 772 42.408 -6.766 15.671 1.00 35.90 C ATOM 580 CD1 LEU A 772 42.487 -8.282 15.874 1.00 37.65 C ATOM 581 CD2 LEU A 772 43.639 -6.294 14.934 1.00 36.01 C ATOM 0 H LEU A 772 40.418 -4.759 16.333 1.00 27.47 H new ATOM 0 HA LEU A 772 41.706 -4.669 14.013 1.00 27.53 H new ATOM 0 HB2 LEU A 772 40.374 -6.768 15.340 1.00 29.26 H new ATOM 0 HB3 LEU A 772 41.185 -6.988 14.027 1.00 29.26 H new ATOM 0 HG LEU A 772 42.362 -6.308 16.525 1.00 35.90 H new ATOM 0 HD11 LEU A 772 43.276 -8.498 16.396 1.00 37.65 H new ATOM 0 HD12 LEU A 772 41.695 -8.587 16.344 1.00 37.65 H new ATOM 0 HD13 LEU A 772 42.540 -8.722 15.011 1.00 37.65 H new ATOM 0 HD21 LEU A 772 44.428 -6.489 15.463 1.00 36.01 H new ATOM 0 HD22 LEU A 772 43.701 -6.751 14.081 1.00 36.01 H new ATOM 0 HD23 LEU A 772 43.580 -5.338 14.784 1.00 36.01 H new ATOM 582 N PRO A 773 39.799 -5.246 12.219 1.00 29.14 N ATOM 583 CA PRO A 773 38.708 -5.175 11.219 1.00 28.11 C ATOM 584 C PRO A 773 37.334 -5.613 11.695 1.00 27.52 C ATOM 585 O PRO A 773 36.336 -4.912 11.438 1.00 27.29 O ATOM 586 CB PRO A 773 39.224 -6.088 10.104 1.00 28.19 C ATOM 587 CG PRO A 773 40.658 -5.858 10.130 1.00 29.51 C ATOM 588 CD PRO A 773 41.005 -5.826 11.582 1.00 31.52 C ATOM 0 HA PRO A 773 38.542 -4.254 10.962 1.00 28.11 H new ATOM 0 HB2 PRO A 773 39.006 -7.018 10.272 1.00 28.19 H new ATOM 0 HB3 PRO A 773 38.839 -5.858 9.244 1.00 28.19 H new ATOM 0 HG2 PRO A 773 41.137 -6.563 9.668 1.00 29.51 H new ATOM 0 HG3 PRO A 773 40.890 -5.024 9.693 1.00 29.51 H new ATOM 0 HD2 PRO A 773 41.196 -6.714 11.922 1.00 31.52 H new ATOM 0 HD3 PRO A 773 41.792 -5.284 11.748 1.00 31.52 H new ATOM 589 N GLU A 774 37.250 -6.741 12.399 1.00 26.78 N ATOM 590 CA AGLU A 774 35.963 -7.248 12.919 0.49 28.30 C ATOM 591 CA BGLU A 774 35.930 -7.177 12.845 0.51 28.60 C ATOM 592 C GLU A 774 35.322 -6.302 13.950 1.00 26.77 C ATOM 593 O GLU A 774 34.088 -6.026 13.901 1.00 25.25 O ATOM 594 CB AGLU A 774 36.134 -8.628 13.574 0.49 29.60 C ATOM 595 CB BGLU A 774 35.925 -8.662 13.182 0.51 30.72 C ATOM 596 CG AGLU A 774 34.825 -9.325 13.918 0.49 32.94 C ATOM 597 CG BGLU A 774 36.034 -9.445 11.885 0.51 33.67 C ATOM 598 CD AGLU A 774 35.023 -10.767 14.374 0.49 41.36 C ATOM 599 CD BGLU A 774 35.757 -10.926 12.019 0.51 37.47 C ATOM 600 OE1AGLU A 774 35.646 -11.552 13.636 0.49 44.61 O ATOM 601 OE1BGLU A 774 35.659 -11.445 13.145 0.51 42.02 O ATOM 602 OE2AGLU A 774 34.541 -11.114 15.472 0.49 44.95 O ATOM 603 OE2BGLU A 774 35.631 -11.558 10.949 0.51 41.38 O ATOM 0 H AGLU A 774 37.927 -7.235 12.591 0.49 26.78 H new ATOM 0 H BGLU A 774 37.910 -7.246 12.620 0.51 26.78 H new ATOM 0 HA AGLU A 774 35.377 -7.310 12.148 0.49 28.60 H new ATOM 0 HA BGLU A 774 35.332 -7.051 12.092 0.51 28.60 H new ATOM 0 HB2AGLU A 774 36.644 -9.197 12.976 0.49 30.72 H new ATOM 0 HB2BGLU A 774 36.666 -8.878 13.770 0.51 30.72 H new ATOM 0 HB3AGLU A 774 36.657 -8.527 14.385 0.49 30.72 H new ATOM 0 HB3BGLU A 774 35.111 -8.899 13.653 0.51 30.72 H new ATOM 0 HG2AGLU A 774 34.374 -8.828 14.618 0.49 33.67 H new ATOM 0 HG2BGLU A 774 35.414 -9.069 11.241 0.51 33.67 H new ATOM 0 HG3AGLU A 774 34.244 -9.313 13.142 0.49 33.67 H new ATOM 0 HG3BGLU A 774 36.926 -9.326 11.523 0.51 33.67 H new ATOM 604 N GLU A 775 36.141 -5.808 14.885 1.00 24.63 N ATOM 605 CA AGLU A 775 35.620 -4.919 15.921 0.55 27.26 C ATOM 606 CA BGLU A 775 35.656 -4.897 15.930 0.45 25.97 C ATOM 607 C GLU A 775 35.290 -3.528 15.320 1.00 25.76 C ATOM 608 O GLU A 775 34.298 -2.899 15.706 1.00 23.33 O ATOM 609 CB AGLU A 775 36.576 -4.802 17.106 0.55 31.92 C ATOM 610 CB BGLU A 775 36.686 -4.706 17.046 0.45 28.43 C ATOM 611 CG AGLU A 775 37.001 -6.136 17.741 0.55 36.38 C ATOM 612 CG BGLU A 775 36.677 -5.802 18.111 0.45 29.92 C ATOM 613 CD AGLU A 775 35.836 -7.009 18.202 0.55 39.52 C ATOM 614 CD BGLU A 775 37.191 -7.155 17.591 0.45 32.44 C ATOM 615 OE1AGLU A 775 35.011 -6.495 18.942 0.55 39.40 O ATOM 616 OE1BGLU A 775 37.968 -7.198 16.594 0.45 34.27 O ATOM 617 OE2AGLU A 775 35.734 -8.205 17.840 0.55 41.74 O ATOM 618 OE2BGLU A 775 36.788 -8.186 18.177 0.45 33.41 O ATOM 0 H AGLU A 775 36.984 -5.973 14.935 0.55 24.63 H new ATOM 0 H BGLU A 775 36.981 -5.988 14.932 0.45 24.63 H new ATOM 0 HA AGLU A 775 34.800 -5.308 16.263 0.55 25.97 H new ATOM 0 HA BGLU A 775 34.865 -5.302 16.320 0.45 25.97 H new ATOM 0 HB2AGLU A 775 37.372 -4.331 16.815 0.55 28.43 H new ATOM 0 HB2BGLU A 775 37.571 -4.663 16.650 0.45 28.43 H new ATOM 0 HB3AGLU A 775 36.156 -4.255 17.788 0.55 28.43 H new ATOM 0 HB3BGLU A 775 36.525 -3.852 17.476 0.45 28.43 H new ATOM 0 HG2AGLU A 775 37.531 -6.634 17.099 0.55 29.92 H new ATOM 0 HG2BGLU A 775 37.225 -5.521 18.861 0.45 29.92 H new ATOM 0 HG3AGLU A 775 37.575 -5.952 18.501 0.55 29.92 H new ATOM 0 HG3BGLU A 775 35.773 -5.913 18.445 0.45 29.92 H new ATOM 619 N GLN A 776 36.095 -3.067 14.394 1.00 22.00 N ATOM 620 CA GLN A 776 35.825 -1.830 13.667 1.00 23.99 C ATOM 621 C GLN A 776 34.461 -1.906 12.988 1.00 22.60 C ATOM 622 O GLN A 776 33.654 -0.957 13.056 1.00 20.76 O ATOM 623 CB GLN A 776 36.953 -1.558 12.659 1.00 24.86 C ATOM 624 CG GLN A 776 36.831 -0.367 11.690 1.00 26.63 C ATOM 625 CD GLN A 776 37.166 0.995 12.256 1.00 27.41 C ATOM 626 OE1 GLN A 776 37.955 1.120 13.209 1.00 26.77 O ATOM 627 NE2 GLN A 776 36.617 2.055 11.635 1.00 27.44 N ATOM 0 H GLN A 776 36.824 -3.459 14.159 1.00 22.00 H new ATOM 0 HA GLN A 776 35.799 -1.087 14.290 1.00 23.99 H new ATOM 0 HB2 GLN A 776 37.772 -1.439 13.164 1.00 24.86 H new ATOM 0 HB3 GLN A 776 37.064 -2.359 12.123 1.00 24.86 H new ATOM 0 HG2 GLN A 776 37.411 -0.532 10.930 1.00 26.63 H new ATOM 0 HG3 GLN A 776 35.922 -0.341 11.352 1.00 26.63 H new ATOM 0 HE21 GLN A 776 36.075 1.935 10.979 1.00 27.44 H new ATOM 0 HE22 GLN A 776 36.809 2.852 11.895 1.00 27.44 H new ATOM 628 N LEU A 777 34.206 -3.017 12.285 1.00 21.49 N ATOM 629 CA LEU A 777 32.907 -3.237 11.667 1.00 24.86 C ATOM 630 C LEU A 777 31.733 -3.216 12.615 1.00 24.59 C ATOM 631 O LEU A 777 30.664 -2.606 12.307 1.00 20.16 O ATOM 632 CB LEU A 777 32.885 -4.553 10.908 1.00 27.93 C ATOM 633 CG LEU A 777 31.737 -4.683 9.910 1.00 35.64 C ATOM 634 CD1 LEU A 777 31.924 -3.769 8.695 1.00 35.19 C ATOM 635 CD2 LEU A 777 31.605 -6.149 9.522 1.00 39.52 C ATOM 0 H LEU A 777 34.775 -3.650 12.158 1.00 21.49 H new ATOM 0 HA LEU A 777 32.799 -2.480 11.070 1.00 24.86 H new ATOM 0 HB2 LEU A 777 33.725 -4.655 10.434 1.00 27.93 H new ATOM 0 HB3 LEU A 777 32.829 -5.281 11.546 1.00 27.93 H new ATOM 0 HG LEU A 777 30.911 -4.388 10.324 1.00 35.64 H new ATOM 0 HD11 LEU A 777 31.176 -3.881 8.087 1.00 35.19 H new ATOM 0 HD12 LEU A 777 31.966 -2.845 8.988 1.00 35.19 H new ATOM 0 HD13 LEU A 777 32.748 -4.001 8.239 1.00 35.19 H new ATOM 0 HD21 LEU A 777 30.879 -6.252 8.887 1.00 39.52 H new ATOM 0 HD22 LEU A 777 32.433 -6.453 9.118 1.00 39.52 H new ATOM 0 HD23 LEU A 777 31.419 -6.678 10.314 1.00 39.52 H new ATOM 636 N LYS A 778 31.888 -3.909 13.740 1.00 21.61 N ATOM 637 CA ALYS A 778 30.860 -3.930 14.780 0.17 21.47 C ATOM 638 CA BLYS A 778 30.854 -3.931 14.764 0.83 23.81 C ATOM 639 C LYS A 778 30.575 -2.532 15.342 1.00 19.47 C ATOM 640 O LYS A 778 29.395 -2.205 15.608 1.00 20.13 O ATOM 641 CB ALYS A 778 31.227 -4.911 15.903 0.17 21.61 C ATOM 642 CB BLYS A 778 31.194 -4.952 15.844 0.83 24.62 C ATOM 643 CG ALYS A 778 31.036 -6.377 15.516 0.17 22.77 C ATOM 644 CG BLYS A 778 31.027 -6.419 15.361 0.83 30.71 C ATOM 645 CD ALYS A 778 31.371 -7.328 16.660 0.17 23.41 C ATOM 646 CD BLYS A 778 31.297 -7.416 16.493 0.83 37.49 C ATOM 647 CE ALYS A 778 31.005 -8.759 16.287 0.17 24.09 C ATOM 648 CE BLYS A 778 31.018 -8.858 16.053 0.83 44.06 C ATOM 649 NZ ALYS A 778 31.614 -9.207 15.004 0.17 23.84 N ATOM 650 NZ BLYS A 778 30.752 -9.750 17.231 0.83 49.49 N ATOM 0 H ALYS A 778 32.586 -4.377 13.922 0.17 21.61 H new ATOM 0 H BLYS A 778 32.587 -4.373 13.928 0.83 21.61 H new ATOM 0 HA ALYS A 778 30.042 -4.241 14.362 0.17 23.81 H new ATOM 0 HA BLYS A 778 30.025 -4.211 14.345 0.83 23.81 H new ATOM 0 HB2ALYS A 778 32.152 -4.769 16.158 0.17 24.62 H new ATOM 0 HB2BLYS A 778 32.109 -4.815 16.137 0.83 24.62 H new ATOM 0 HB3ALYS A 778 30.685 -4.716 16.683 0.17 24.62 H new ATOM 0 HB3BLYS A 778 30.624 -4.803 16.615 0.83 24.62 H new ATOM 0 HG2ALYS A 778 30.117 -6.519 15.239 0.17 30.71 H new ATOM 0 HG2BLYS A 778 30.128 -6.549 15.021 0.83 30.71 H new ATOM 0 HG3ALYS A 778 31.597 -6.583 14.752 0.17 30.71 H new ATOM 0 HG3BLYS A 778 31.636 -6.590 14.625 0.83 30.71 H new ATOM 0 HD2ALYS A 778 32.317 -7.274 16.867 0.17 37.49 H new ATOM 0 HD2BLYS A 778 32.220 -7.338 16.781 0.83 37.49 H new ATOM 0 HD3ALYS A 778 30.890 -7.063 17.460 0.17 37.49 H new ATOM 0 HD3BLYS A 778 30.742 -7.197 17.258 0.83 37.49 H new ATOM 0 HE2ALYS A 778 31.289 -9.355 16.998 0.17 44.06 H new ATOM 0 HE2BLYS A 778 30.254 -8.873 15.455 0.83 44.06 H new ATOM 0 HE3ALYS A 778 30.040 -8.833 16.223 0.17 44.06 H new ATOM 0 HE3BLYS A 778 31.777 -9.198 15.553 0.83 44.06 H new ATOM 0 HZ1ALYS A 778 30.977 -9.303 14.390 0.17 49.49 H new ATOM 0 HZ1BLYS A 778 30.594 -10.578 16.947 0.83 49.49 H new ATOM 0 HZ2ALYS A 778 32.203 -8.600 14.727 0.17 49.49 H new ATOM 0 HZ2BLYS A 778 31.461 -9.752 17.769 0.83 49.49 H new ATOM 0 HZ3ALYS A 778 32.027 -9.986 15.127 0.17 49.49 H new ATOM 0 HZ3BLYS A 778 30.043 -9.449 17.677 0.83 49.49 H new ATOM 651 N CYS A 779 31.623 -1.722 15.551 1.00 18.14 N ATOM 652 CA CYS A 779 31.396 -0.336 16.016 1.00 19.18 C ATOM 653 C CYS A 779 30.684 0.501 14.937 1.00 19.84 C ATOM 654 O CYS A 779 29.811 1.274 15.283 1.00 18.29 O ATOM 655 CB CYS A 779 32.651 0.379 16.486 1.00 20.46 C ATOM 656 SG CYS A 779 33.379 -0.424 17.971 1.00 24.71 S ATOM 0 H CYS A 779 32.446 -1.942 15.435 1.00 18.14 H new ATOM 0 HA CYS A 779 30.825 -0.421 16.795 1.00 19.18 H new ATOM 0 HB2 CYS A 779 33.305 0.388 15.770 1.00 20.46 H new ATOM 0 HB3 CYS A 779 32.440 1.304 16.689 1.00 20.46 H new ATOM 0 HG CYS A 779 33.087 0.205 18.950 1.00 24.71 H new ATOM 657 N GLU A 780 31.077 0.374 13.681 1.00 20.63 N ATOM 658 CA GLU A 780 30.388 1.061 12.553 1.00 22.11 C ATOM 659 C GLU A 780 28.903 0.685 12.515 1.00 19.53 C ATOM 660 O GLU A 780 28.027 1.555 12.351 1.00 19.83 O ATOM 661 CB GLU A 780 31.131 0.789 11.227 1.00 22.53 C ATOM 662 CG GLU A 780 32.525 1.373 11.127 1.00 23.84 C ATOM 663 CD GLU A 780 33.419 0.771 10.009 1.00 28.84 C ATOM 664 OE1 GLU A 780 33.047 -0.362 9.501 1.00 30.55 O ATOM 665 OE2 GLU A 780 34.488 1.427 9.625 1.00 31.19 O ATOM 0 H GLU A 780 31.747 -0.108 13.440 1.00 20.63 H new ATOM 0 HA GLU A 780 30.416 2.021 12.690 1.00 22.11 H new ATOM 0 HB2 GLU A 780 31.190 -0.171 11.099 1.00 22.53 H new ATOM 0 HB3 GLU A 780 30.597 1.141 10.498 1.00 22.53 H new ATOM 0 HG2 GLU A 780 32.449 2.329 10.980 1.00 23.84 H new ATOM 0 HG3 GLU A 780 32.972 1.251 11.979 1.00 23.84 H new ATOM 666 N PHE A 781 28.573 -0.596 12.720 1.00 18.46 N ATOM 667 CA PHE A 781 27.209 -1.062 12.724 1.00 20.39 C ATOM 668 C PHE A 781 26.421 -0.508 13.927 1.00 20.01 C ATOM 669 O PHE A 781 25.277 -0.075 13.795 1.00 19.83 O ATOM 670 CB PHE A 781 27.185 -2.597 12.769 1.00 21.12 C ATOM 671 CG PHE A 781 25.828 -3.228 12.614 1.00 22.59 C ATOM 672 CD1 PHE A 781 25.023 -2.901 11.517 1.00 24.17 C ATOM 673 CD2 PHE A 781 25.395 -4.174 13.467 1.00 22.97 C ATOM 674 CE1 PHE A 781 23.831 -3.521 11.311 1.00 24.46 C ATOM 675 CE2 PHE A 781 24.204 -4.798 13.272 1.00 26.04 C ATOM 676 CZ PHE A 781 23.414 -4.456 12.195 1.00 25.33 C ATOM 0 H PHE A 781 29.152 -1.216 12.861 1.00 18.46 H new ATOM 0 HA PHE A 781 26.787 -0.743 11.911 1.00 20.39 H new ATOM 0 HB2 PHE A 781 27.764 -2.935 12.067 1.00 21.12 H new ATOM 0 HB3 PHE A 781 27.564 -2.886 13.614 1.00 21.12 H new ATOM 0 HD1 PHE A 781 25.308 -2.249 10.919 1.00 24.17 H new ATOM 0 HD2 PHE A 781 25.918 -4.404 14.201 1.00 22.97 H new ATOM 0 HE1 PHE A 781 23.309 -3.305 10.572 1.00 24.46 H new ATOM 0 HE2 PHE A 781 23.921 -5.456 13.865 1.00 26.04 H new ATOM 0 HZ PHE A 781 22.590 -4.870 12.076 1.00 25.33 H new ATOM 677 N LEU A 782 27.023 -0.530 15.098 1.00 19.54 N ATOM 678 CA LEU A 782 26.405 0.010 16.282 1.00 18.83 C ATOM 679 C LEU A 782 26.117 1.518 16.077 1.00 17.09 C ATOM 680 O LEU A 782 24.986 2.025 16.420 1.00 17.67 O ATOM 681 CB LEU A 782 27.299 -0.249 17.497 1.00 20.48 C ATOM 682 CG LEU A 782 26.910 0.361 18.826 1.00 20.04 C ATOM 683 CD1 LEU A 782 25.479 0.141 19.187 1.00 22.12 C ATOM 684 CD2 LEU A 782 27.783 -0.198 19.975 1.00 20.70 C ATOM 0 H LEU A 782 27.806 -0.861 15.227 1.00 19.54 H new ATOM 0 HA LEU A 782 25.557 -0.431 16.446 1.00 18.83 H new ATOM 0 HB2 LEU A 782 27.358 -1.209 17.620 1.00 20.48 H new ATOM 0 HB3 LEU A 782 28.191 0.064 17.279 1.00 20.48 H new ATOM 0 HG LEU A 782 27.054 1.314 18.715 1.00 20.04 H new ATOM 0 HD11 LEU A 782 25.294 0.554 20.045 1.00 22.12 H new ATOM 0 HD12 LEU A 782 24.909 0.537 18.509 1.00 22.12 H new ATOM 0 HD13 LEU A 782 25.302 -0.811 19.242 1.00 22.12 H new ATOM 0 HD21 LEU A 782 27.514 0.208 20.814 1.00 20.70 H new ATOM 0 HD22 LEU A 782 27.668 -1.160 20.031 1.00 20.70 H new ATOM 0 HD23 LEU A 782 28.715 0.006 19.802 1.00 20.70 H new ATOM 685 N LEU A 783 27.076 2.256 15.520 1.00 17.67 N ATOM 686 CA LEU A 783 26.828 3.684 15.199 1.00 17.13 C ATOM 687 C LEU A 783 25.670 3.872 14.217 1.00 17.30 C ATOM 688 O LEU A 783 24.768 4.704 14.416 1.00 17.42 O ATOM 689 CB LEU A 783 28.092 4.294 14.684 1.00 18.84 C ATOM 690 CG LEU A 783 28.053 5.798 14.388 1.00 19.86 C ATOM 691 CD1 LEU A 783 27.586 6.628 15.592 1.00 18.62 C ATOM 692 CD2 LEU A 783 29.378 6.315 13.866 1.00 21.70 C ATOM 0 H LEU A 783 27.861 1.968 15.320 1.00 17.67 H new ATOM 0 HA LEU A 783 26.558 4.139 16.012 1.00 17.13 H new ATOM 0 HB2 LEU A 783 28.795 4.130 15.332 1.00 18.84 H new ATOM 0 HB3 LEU A 783 28.343 3.830 13.870 1.00 18.84 H new ATOM 0 HG LEU A 783 27.392 5.908 13.686 1.00 19.86 H new ATOM 0 HD11 LEU A 783 27.579 7.568 15.354 1.00 18.62 H new ATOM 0 HD12 LEU A 783 26.692 6.353 15.848 1.00 18.62 H new ATOM 0 HD13 LEU A 783 28.192 6.488 16.336 1.00 18.62 H new ATOM 0 HD21 LEU A 783 29.309 7.267 13.693 1.00 21.70 H new ATOM 0 HD22 LEU A 783 30.070 6.157 14.527 1.00 21.70 H new ATOM 0 HD23 LEU A 783 29.605 5.853 13.044 1.00 21.70 H new ATOM 693 N LEU A 784 25.642 3.025 13.199 1.00 17.64 N ATOM 694 CA LEU A 784 24.539 3.026 12.272 1.00 19.29 C ATOM 695 C LEU A 784 23.193 2.760 12.897 1.00 19.25 C ATOM 696 O LEU A 784 22.190 3.466 12.597 1.00 22.88 O ATOM 697 CB LEU A 784 24.796 2.095 11.071 1.00 19.76 C ATOM 698 CG LEU A 784 23.693 2.035 9.997 1.00 23.42 C ATOM 699 CD1 LEU A 784 24.265 2.050 8.616 1.00 24.25 C ATOM 700 CD2 LEU A 784 22.838 0.819 10.152 1.00 26.69 C ATOM 0 H LEU A 784 26.254 2.444 13.032 1.00 17.64 H new ATOM 0 HA LEU A 784 24.493 3.939 11.946 1.00 19.29 H new ATOM 0 HB2 LEU A 784 25.621 2.373 10.643 1.00 19.76 H new ATOM 0 HB3 LEU A 784 24.940 1.197 11.409 1.00 19.76 H new ATOM 0 HG LEU A 784 23.148 2.827 10.124 1.00 23.42 H new ATOM 0 HD11 LEU A 784 23.545 2.011 7.967 1.00 24.25 H new ATOM 0 HD12 LEU A 784 24.774 2.865 8.485 1.00 24.25 H new ATOM 0 HD13 LEU A 784 24.847 1.283 8.498 1.00 24.25 H new ATOM 0 HD21 LEU A 784 22.156 0.813 9.462 1.00 26.69 H new ATOM 0 HD22 LEU A 784 23.388 0.024 10.070 1.00 26.69 H new ATOM 0 HD23 LEU A 784 22.414 0.830 11.025 1.00 26.69 H new ATOM 701 N LYS A 785 23.112 1.807 13.804 1.00 18.77 N ATOM 702 CA LYS A 785 21.891 1.518 14.539 1.00 17.98 C ATOM 703 C LYS A 785 21.379 2.742 15.342 1.00 19.26 C ATOM 704 O LYS A 785 20.173 3.007 15.407 1.00 19.23 O ATOM 705 CB LYS A 785 22.058 0.290 15.429 1.00 21.55 C ATOM 706 CG LYS A 785 22.118 -1.023 14.637 1.00 25.22 C ATOM 707 CD LYS A 785 20.741 -1.341 14.061 1.00 31.52 C ATOM 708 CE LYS A 785 20.691 -2.779 13.616 1.00 45.34 C ATOM 709 NZ LYS A 785 19.292 -3.260 13.574 1.00 50.97 N ATOM 0 H LYS A 785 23.773 1.300 14.016 1.00 18.77 H new ATOM 0 HA LYS A 785 21.207 1.316 13.881 1.00 17.98 H new ATOM 0 HB2 LYS A 785 22.870 0.384 15.951 1.00 21.55 H new ATOM 0 HB3 LYS A 785 21.320 0.249 16.057 1.00 21.55 H new ATOM 0 HG2 LYS A 785 22.768 -0.949 13.921 1.00 25.22 H new ATOM 0 HG3 LYS A 785 22.412 -1.746 15.214 1.00 25.22 H new ATOM 0 HD2 LYS A 785 20.057 -1.177 14.729 1.00 31.52 H new ATOM 0 HD3 LYS A 785 20.552 -0.755 13.311 1.00 31.52 H new ATOM 0 HE2 LYS A 785 21.095 -2.866 12.739 1.00 45.34 H new ATOM 0 HE3 LYS A 785 21.210 -3.329 14.223 1.00 45.34 H new ATOM 0 HZ1 LYS A 785 19.278 -4.110 13.310 1.00 50.97 H new ATOM 0 HZ2 LYS A 785 18.931 -3.196 14.385 1.00 50.97 H new ATOM 0 HZ3 LYS A 785 18.824 -2.764 13.002 1.00 50.97 H new ATOM 710 N VAL A 786 22.273 3.552 15.865 1.00 18.00 N ATOM 711 CA VAL A 786 21.818 4.797 16.530 1.00 17.42 C ATOM 712 C VAL A 786 21.295 5.830 15.508 1.00 18.75 C ATOM 713 O VAL A 786 20.235 6.466 15.741 1.00 18.58 O ATOM 714 CB VAL A 786 22.960 5.416 17.402 1.00 19.11 C ATOM 715 CG1 VAL A 786 22.586 6.816 17.904 1.00 18.47 C ATOM 716 CG2 VAL A 786 23.406 4.418 18.496 1.00 18.59 C ATOM 0 H VAL A 786 23.123 3.424 15.858 1.00 18.00 H new ATOM 0 HA VAL A 786 21.081 4.559 17.114 1.00 17.42 H new ATOM 0 HB VAL A 786 23.747 5.563 16.854 1.00 19.11 H new ATOM 0 HG11 VAL A 786 23.312 7.172 18.440 1.00 18.47 H new ATOM 0 HG12 VAL A 786 22.427 7.400 17.146 1.00 18.47 H new ATOM 0 HG13 VAL A 786 21.782 6.762 18.444 1.00 18.47 H new ATOM 0 HG21 VAL A 786 24.113 4.815 19.028 1.00 18.59 H new ATOM 0 HG22 VAL A 786 22.652 4.206 19.068 1.00 18.59 H new ATOM 0 HG23 VAL A 786 23.733 3.605 18.079 1.00 18.59 H new ATOM 717 N TYR A 787 21.987 5.997 14.380 1.00 20.68 N ATOM 718 CA TYR A 787 21.488 6.876 13.291 1.00 19.36 C ATOM 719 C TYR A 787 20.145 6.424 12.755 1.00 21.88 C ATOM 720 O TYR A 787 19.368 7.280 12.300 1.00 23.34 O ATOM 721 CB TYR A 787 22.512 7.094 12.146 1.00 18.68 C ATOM 722 CG TYR A 787 23.633 8.029 12.342 1.00 21.18 C ATOM 723 CD1 TYR A 787 23.470 9.417 12.118 1.00 24.18 C ATOM 724 CD2 TYR A 787 24.902 7.592 12.624 1.00 19.00 C ATOM 725 CE1 TYR A 787 24.533 10.270 12.220 1.00 20.97 C ATOM 726 CE2 TYR A 787 25.934 8.459 12.801 1.00 18.23 C ATOM 727 CZ TYR A 787 25.777 9.778 12.567 1.00 21.83 C ATOM 728 OH TYR A 787 26.827 10.648 12.649 1.00 18.72 O ATOM 0 H TYR A 787 22.742 5.619 14.217 1.00 20.68 H new ATOM 0 HA TYR A 787 21.361 7.743 13.706 1.00 19.36 H new ATOM 0 HB2 TYR A 787 22.891 6.228 11.927 1.00 18.68 H new ATOM 0 HB3 TYR A 787 22.017 7.393 11.367 1.00 18.68 H new ATOM 0 HD1 TYR A 787 22.631 9.752 11.899 1.00 24.18 H new ATOM 0 HD2 TYR A 787 25.061 6.678 12.696 1.00 19.00 H new ATOM 0 HE1 TYR A 787 24.420 11.178 12.056 1.00 20.97 H new ATOM 0 HE2 TYR A 787 26.759 8.139 13.087 1.00 18.23 H new ATOM 0 HH TYR A 787 26.566 11.422 12.451 1.00 18.72 H new ATOM 729 N CYS A 788 19.835 5.129 12.785 1.00 19.84 N ATOM 730 CA CYS A 788 18.549 4.625 12.348 1.00 24.85 C ATOM 731 C CYS A 788 17.343 5.132 13.180 1.00 26.01 C ATOM 732 O CYS A 788 16.227 5.067 12.720 1.00 25.75 O ATOM 733 CB CYS A 788 18.449 3.108 12.364 1.00 23.04 C ATOM 734 SG CYS A 788 19.455 2.277 11.113 1.00 27.81 S ATOM 0 H CYS A 788 20.373 4.519 13.063 1.00 19.84 H new ATOM 0 HA CYS A 788 18.502 4.969 11.442 1.00 24.85 H new ATOM 0 HB2 CYS A 788 18.713 2.787 13.240 1.00 23.04 H new ATOM 0 HB3 CYS A 788 17.521 2.855 12.237 1.00 23.04 H new ATOM 0 HG CYS A 788 20.618 2.458 11.349 1.00 27.81 H new ATOM 735 N ASP A 789 17.582 5.576 14.384 1.00 26.64 N ATOM 736 CA ASP A 789 16.506 6.216 15.208 1.00 28.79 C ATOM 737 C ASP A 789 16.365 7.646 14.840 1.00 24.47 C ATOM 738 O ASP A 789 17.352 8.379 14.843 1.00 22.20 O ATOM 739 CB ASP A 789 16.809 6.135 16.718 1.00 29.73 C ATOM 740 CG ASP A 789 15.513 6.323 17.569 1.00 37.95 C ATOM 741 OD1 ASP A 789 15.056 7.483 17.811 1.00 34.79 O ATOM 742 OD2 ASP A 789 14.905 5.251 17.886 1.00 39.59 O ATOM 0 H ASP A 789 18.349 5.531 14.771 1.00 26.64 H new ATOM 0 HA ASP A 789 15.686 5.731 15.027 1.00 28.79 H new ATOM 0 HB2 ASP A 789 17.211 5.277 16.923 1.00 29.73 H new ATOM 0 HB3 ASP A 789 17.457 6.816 16.957 1.00 29.73 H new ATOM 743 N SER A 790 15.130 8.106 14.585 1.00 25.27 N ATOM 744 CA SER A 790 14.942 9.518 14.149 1.00 26.24 C ATOM 745 C SER A 790 15.370 10.531 15.184 1.00 24.48 C ATOM 746 O SER A 790 15.834 11.636 14.794 1.00 26.22 O ATOM 747 CB SER A 790 13.474 9.785 13.762 1.00 28.44 C ATOM 748 OG SER A 790 12.705 9.470 14.919 1.00 35.17 O ATOM 0 H SER A 790 14.408 7.643 14.653 1.00 25.27 H new ATOM 0 HA SER A 790 15.519 9.628 13.377 1.00 26.24 H new ATOM 0 HB2 SER A 790 13.346 10.710 13.500 1.00 28.44 H new ATOM 0 HB3 SER A 790 13.208 9.237 13.007 1.00 28.44 H new ATOM 0 HG SER A 790 12.391 8.695 14.844 1.00 35.17 H new ATOM 749 N LYS A 791 15.378 10.141 16.477 1.00 20.31 N ATOM 750 CA LYS A 791 15.807 11.022 17.525 1.00 21.37 C ATOM 751 C LYS A 791 17.302 11.249 17.537 1.00 23.07 C ATOM 752 O LYS A 791 17.785 12.162 18.197 1.00 21.06 O ATOM 753 CB LYS A 791 15.340 10.537 18.880 1.00 24.65 C ATOM 754 CG LYS A 791 13.850 10.586 19.085 1.00 28.88 C ATOM 755 CD LYS A 791 13.436 9.531 20.123 1.00 34.15 C ATOM 756 CE LYS A 791 11.926 9.518 20.411 1.00 36.21 C ATOM 757 NZ LYS A 791 11.442 10.677 21.199 1.00 35.36 N ATOM 0 H LYS A 791 15.133 9.362 16.745 1.00 20.31 H new ATOM 0 HA LYS A 791 15.391 11.878 17.336 1.00 21.37 H new ATOM 0 HB2 LYS A 791 15.642 9.624 19.005 1.00 24.65 H new ATOM 0 HB3 LYS A 791 15.767 11.073 19.567 1.00 24.65 H new ATOM 0 HG2 LYS A 791 13.585 11.469 19.385 1.00 28.88 H new ATOM 0 HG3 LYS A 791 13.393 10.423 18.245 1.00 28.88 H new ATOM 0 HD2 LYS A 791 13.706 8.654 19.808 1.00 34.15 H new ATOM 0 HD3 LYS A 791 13.915 9.696 20.950 1.00 34.15 H new ATOM 0 HE2 LYS A 791 11.447 9.492 19.568 1.00 36.21 H new ATOM 0 HE3 LYS A 791 11.706 8.702 20.888 1.00 36.21 H new ATOM 0 HZ1 LYS A 791 10.605 10.528 21.463 1.00 35.36 H new ATOM 0 HZ2 LYS A 791 11.962 10.789 21.912 1.00 35.36 H new ATOM 0 HZ3 LYS A 791 11.468 11.410 20.695 1.00 35.36 H new ATOM 758 N SER A 792 18.064 10.441 16.773 1.00 21.56 N ATOM 759 CA SER A 792 19.472 10.752 16.571 1.00 22.14 C ATOM 760 C SER A 792 19.773 12.127 15.968 1.00 22.75 C ATOM 761 O SER A 792 20.828 12.679 16.216 1.00 20.33 O ATOM 762 CB SER A 792 20.125 9.647 15.703 1.00 21.74 C ATOM 763 OG SER A 792 19.700 9.738 14.338 1.00 25.21 O ATOM 0 H SER A 792 17.784 9.730 16.378 1.00 21.56 H new ATOM 0 HA SER A 792 19.854 10.783 17.462 1.00 22.14 H new ATOM 0 HB2 SER A 792 21.091 9.725 15.749 1.00 21.74 H new ATOM 0 HB3 SER A 792 19.894 8.775 16.058 1.00 21.74 H new ATOM 0 HG SER A 792 18.948 9.374 14.254 1.00 25.21 H new ATOM 764 N CYS A 793 18.803 12.748 15.279 1.00 25.21 N ATOM 765 CA CYS A 793 19.014 14.113 14.766 1.00 25.32 C ATOM 766 C CYS A 793 19.458 15.123 15.813 1.00 23.02 C ATOM 767 O CYS A 793 20.313 16.011 15.542 1.00 25.56 O ATOM 768 CB CYS A 793 17.714 14.614 14.040 1.00 33.03 C ATOM 769 SG CYS A 793 16.336 14.892 15.218 1.00 33.96 S ATOM 0 H CYS A 793 18.034 12.407 15.101 1.00 25.21 H new ATOM 0 HA CYS A 793 19.753 14.051 14.141 1.00 25.32 H new ATOM 0 HB2 CYS A 793 17.906 15.439 13.567 1.00 33.03 H new ATOM 0 HB3 CYS A 793 17.444 13.962 13.375 1.00 33.03 H new ATOM 0 HG CYS A 793 15.762 13.857 15.414 1.00 33.96 H new ATOM 770 N PHE A 794 18.997 14.959 17.058 1.00 20.49 N ATOM 771 CA PHE A 794 19.420 15.854 18.124 1.00 21.00 C ATOM 772 C PHE A 794 20.891 15.802 18.537 1.00 25.72 C ATOM 773 O PHE A 794 21.419 16.758 19.091 1.00 23.50 O ATOM 774 CB PHE A 794 18.585 15.664 19.383 1.00 23.02 C ATOM 775 CG PHE A 794 17.145 16.019 19.201 1.00 22.11 C ATOM 776 CD1 PHE A 794 16.746 17.361 19.032 1.00 24.61 C ATOM 777 CD2 PHE A 794 16.184 15.036 19.178 1.00 26.88 C ATOM 778 CE1 PHE A 794 15.373 17.671 18.861 1.00 25.26 C ATOM 779 CE2 PHE A 794 14.802 15.323 18.984 1.00 29.68 C ATOM 780 CZ PHE A 794 14.403 16.664 18.817 1.00 27.05 C ATOM 0 H PHE A 794 18.447 14.343 17.298 1.00 20.49 H new ATOM 0 HA PHE A 794 19.282 16.723 17.715 1.00 21.00 H new ATOM 0 HB2 PHE A 794 18.649 14.739 19.669 1.00 23.02 H new ATOM 0 HB3 PHE A 794 18.957 16.208 20.095 1.00 23.02 H new ATOM 0 HD1 PHE A 794 17.381 18.040 19.033 1.00 24.61 H new ATOM 0 HD2 PHE A 794 16.446 14.151 19.293 1.00 26.88 H new ATOM 0 HE1 PHE A 794 15.113 18.560 18.777 1.00 25.26 H new ATOM 0 HE2 PHE A 794 14.174 14.637 18.968 1.00 29.68 H new ATOM 0 HZ PHE A 794 13.508 16.876 18.680 1.00 27.05 H new ATOM 781 N PHE A 795 21.513 14.661 18.268 1.00 20.63 N ATOM 782 CA PHE A 795 22.884 14.384 18.641 1.00 20.71 C ATOM 783 C PHE A 795 23.861 14.286 17.462 1.00 22.56 C ATOM 784 O PHE A 795 25.027 14.020 17.695 1.00 22.69 O ATOM 785 CB PHE A 795 22.845 13.042 19.432 1.00 18.84 C ATOM 786 CG PHE A 795 21.931 13.103 20.617 1.00 19.94 C ATOM 787 CD1 PHE A 795 22.299 13.799 21.720 1.00 20.92 C ATOM 788 CD2 PHE A 795 20.660 12.519 20.587 1.00 21.66 C ATOM 789 CE1 PHE A 795 21.450 13.910 22.818 1.00 22.57 C ATOM 790 CE2 PHE A 795 19.817 12.588 21.679 1.00 24.71 C ATOM 791 CZ PHE A 795 20.214 13.297 22.817 1.00 20.95 C ATOM 0 H PHE A 795 21.135 14.011 17.851 1.00 20.63 H new ATOM 0 HA PHE A 795 23.223 15.126 19.165 1.00 20.71 H new ATOM 0 HB2 PHE A 795 22.556 12.329 18.841 1.00 18.84 H new ATOM 0 HB3 PHE A 795 23.741 12.819 19.729 1.00 18.84 H new ATOM 0 HD1 PHE A 795 23.133 14.210 21.744 1.00 20.92 H new ATOM 0 HD2 PHE A 795 20.378 12.077 19.819 1.00 21.66 H new ATOM 0 HE1 PHE A 795 21.719 14.402 23.560 1.00 22.57 H new ATOM 0 HE2 PHE A 795 18.989 12.165 21.657 1.00 24.71 H new ATOM 0 HZ PHE A 795 19.656 13.354 23.559 1.00 20.95 H new ATOM 792 N ALA A 796 23.409 14.498 16.239 1.00 22.00 N ATOM 793 CA ALA A 796 24.273 14.319 15.062 1.00 22.91 C ATOM 794 C ALA A 796 25.316 15.379 14.860 1.00 21.82 C ATOM 795 O ALA A 796 26.477 15.020 14.569 1.00 21.46 O ATOM 796 CB ALA A 796 23.487 14.127 13.778 1.00 23.01 C ATOM 0 H ALA A 796 22.606 14.746 16.058 1.00 22.00 H new ATOM 0 HA ALA A 796 24.751 13.502 15.272 1.00 22.91 H new ATOM 0 HB1 ALA A 796 24.101 14.014 13.036 1.00 23.01 H new ATOM 0 HB2 ALA A 796 22.927 13.339 13.856 1.00 23.01 H new ATOM 0 HB3 ALA A 796 22.930 14.905 13.620 1.00 23.01 H new ATOM 797 N SER A 797 24.983 16.672 15.059 1.00 22.11 N ATOM 798 CA SER A 797 25.900 17.710 14.631 1.00 23.94 C ATOM 799 C SER A 797 26.373 18.444 15.847 1.00 23.76 C ATOM 800 O SER A 797 25.888 18.182 16.910 1.00 24.34 O ATOM 801 CB SER A 797 25.206 18.588 13.556 1.00 30.04 C ATOM 802 OG SER A 797 24.287 19.342 14.257 1.00 32.00 O ATOM 0 H SER A 797 24.256 16.947 15.427 1.00 22.11 H new ATOM 0 HA SER A 797 26.694 17.357 14.200 1.00 23.94 H new ATOM 0 HB2 SER A 797 25.846 19.152 13.095 1.00 30.04 H new ATOM 0 HB3 SER A 797 24.772 18.042 12.882 1.00 30.04 H new ATOM 0 HG SER A 797 24.608 20.103 14.411 1.00 32.00 H new ATOM 803 N GLU A 798 27.332 19.345 15.689 1.00 21.82 N ATOM 804 CA GLU A 798 28.048 19.973 16.792 1.00 24.22 C ATOM 805 C GLU A 798 27.062 20.834 17.576 1.00 26.03 C ATOM 806 O GLU A 798 26.426 21.698 17.000 1.00 30.58 O ATOM 807 CB GLU A 798 29.233 20.808 16.320 1.00 26.46 C ATOM 808 CG GLU A 798 30.053 21.428 17.412 1.00 30.41 C ATOM 809 CD GLU A 798 31.383 22.053 16.915 1.00 35.12 C ATOM 810 OE1 GLU A 798 31.675 22.181 15.670 1.00 38.35 O ATOM 811 OE2 GLU A 798 32.169 22.393 17.819 1.00 37.37 O ATOM 0 H GLU A 798 27.593 19.617 14.916 1.00 21.82 H new ATOM 0 HA GLU A 798 28.417 19.276 17.357 1.00 24.22 H new ATOM 0 HB2 GLU A 798 29.811 20.247 15.780 1.00 26.46 H new ATOM 0 HB3 GLU A 798 28.903 21.514 15.742 1.00 26.46 H new ATOM 0 HG2 GLU A 798 29.527 22.114 17.851 1.00 30.41 H new ATOM 0 HG3 GLU A 798 30.252 20.753 18.079 1.00 30.41 H new ATOM 812 N PRO A 799 26.945 20.604 18.867 1.00 26.07 N ATOM 813 CA PRO A 799 26.024 21.310 19.703 1.00 29.00 C ATOM 814 C PRO A 799 26.616 22.658 20.164 1.00 29.50 C ATOM 815 O PRO A 799 27.812 22.892 20.038 1.00 27.21 O ATOM 816 CB PRO A 799 25.872 20.359 20.898 1.00 29.00 C ATOM 817 CG PRO A 799 27.217 19.763 21.020 1.00 29.32 C ATOM 818 CD PRO A 799 27.747 19.633 19.653 1.00 28.87 C ATOM 0 HA PRO A 799 25.189 21.525 19.260 1.00 29.00 H new ATOM 0 HB2 PRO A 799 25.615 20.833 21.704 1.00 29.00 H new ATOM 0 HB3 PRO A 799 25.194 19.685 20.737 1.00 29.00 H new ATOM 0 HG2 PRO A 799 27.794 20.324 21.561 1.00 29.32 H new ATOM 0 HG3 PRO A 799 27.172 18.898 21.456 1.00 29.32 H new ATOM 0 HD2 PRO A 799 28.694 19.842 19.617 1.00 28.87 H new ATOM 0 HD3 PRO A 799 27.643 18.730 19.315 1.00 28.87 H new ATOM 819 N TYR A 800 25.754 23.539 20.686 1.00 29.99 N ATOM 820 CA TYR A 800 26.221 24.694 21.427 1.00 31.67 C ATOM 821 C TYR A 800 25.338 24.940 22.668 1.00 28.96 C ATOM 822 O TYR A 800 24.198 24.493 22.762 1.00 27.42 O ATOM 823 CB TYR A 800 26.271 25.905 20.500 1.00 35.06 C ATOM 824 CG TYR A 800 24.905 26.357 20.055 1.00 41.78 C ATOM 825 CD1 TYR A 800 24.397 25.966 18.820 1.00 46.66 C ATOM 826 CD2 TYR A 800 24.137 27.249 20.854 1.00 52.79 C ATOM 827 CE1 TYR A 800 23.156 26.443 18.358 1.00 56.93 C ATOM 828 CE2 TYR A 800 22.894 27.724 20.412 1.00 61.55 C ATOM 829 CZ TYR A 800 22.407 27.326 19.160 1.00 63.49 C ATOM 830 OH TYR A 800 21.183 27.798 18.721 1.00 72.00 O ATOM 0 H TYR A 800 24.899 23.478 20.617 1.00 29.99 H new ATOM 0 HA TYR A 800 27.119 24.531 21.755 1.00 31.67 H new ATOM 0 HB2 TYR A 800 26.717 26.637 20.955 1.00 35.06 H new ATOM 0 HB3 TYR A 800 26.805 25.688 19.720 1.00 35.06 H new ATOM 0 HD1 TYR A 800 24.886 25.379 18.290 1.00 46.66 H new ATOM 0 HD2 TYR A 800 24.464 27.521 21.681 1.00 52.79 H new ATOM 0 HE1 TYR A 800 22.832 26.177 17.528 1.00 56.93 H new ATOM 0 HE2 TYR A 800 22.396 28.300 20.946 1.00 61.55 H new ATOM 0 HH TYR A 800 20.856 28.310 19.301 1.00 72.00 H new ATOM 831 N TYR A 801 25.914 25.613 23.646 1.00 26.22 N ATOM 832 CA TYR A 801 25.383 25.639 24.977 1.00 25.63 C ATOM 833 C TYR A 801 25.277 27.095 25.556 1.00 28.69 C ATOM 834 O TYR A 801 26.278 27.679 26.068 1.00 23.23 O ATOM 835 CB TYR A 801 26.368 24.850 25.842 1.00 25.81 C ATOM 836 CG TYR A 801 26.427 23.368 25.389 1.00 24.63 C ATOM 837 CD1 TYR A 801 25.455 22.451 25.812 1.00 24.01 C ATOM 838 CD2 TYR A 801 27.448 22.911 24.580 1.00 25.70 C ATOM 839 CE1 TYR A 801 25.555 21.061 25.438 1.00 25.75 C ATOM 840 CE2 TYR A 801 27.540 21.575 24.194 1.00 27.07 C ATOM 841 CZ TYR A 801 26.573 20.643 24.648 1.00 25.21 C ATOM 842 OH TYR A 801 26.600 19.302 24.258 1.00 26.08 O ATOM 0 H TYR A 801 26.635 26.072 23.547 1.00 26.22 H new ATOM 0 HA TYR A 801 24.487 25.267 24.972 1.00 25.63 H new ATOM 0 HB2 TYR A 801 27.251 25.248 25.780 1.00 25.81 H new ATOM 0 HB3 TYR A 801 26.099 24.898 26.773 1.00 25.81 H new ATOM 0 HD1 TYR A 801 24.743 22.740 26.336 1.00 24.01 H new ATOM 0 HD2 TYR A 801 28.093 23.512 24.284 1.00 25.70 H new ATOM 0 HE1 TYR A 801 24.920 20.452 25.739 1.00 25.75 H new ATOM 0 HE2 TYR A 801 28.233 21.296 23.641 1.00 27.07 H new ATOM 0 HH TYR A 801 25.911 18.914 24.541 1.00 26.08 H new ATOM 843 N ASN A 802 24.046 27.584 25.575 1.00 28.07 N ATOM 844 CA ASN A 802 23.776 28.870 26.176 1.00 30.59 C ATOM 845 C ASN A 802 22.362 28.848 26.780 1.00 26.00 C ATOM 846 O ASN A 802 21.399 29.156 26.129 1.00 30.48 O ATOM 847 CB ASN A 802 23.987 30.018 25.187 1.00 28.63 C ATOM 848 CG ASN A 802 23.998 31.381 25.895 1.00 32.02 C ATOM 849 OD1 ASN A 802 23.888 31.458 27.145 1.00 26.60 O ATOM 850 ND2 ASN A 802 24.187 32.440 25.115 1.00 32.78 N ATOM 0 H ASN A 802 23.358 27.186 25.246 1.00 28.07 H new ATOM 0 HA ASN A 802 24.411 29.034 26.891 1.00 30.59 H new ATOM 0 HB2 ASN A 802 24.826 29.890 24.716 1.00 28.63 H new ATOM 0 HB3 ASN A 802 23.283 30.005 24.520 1.00 28.63 H new ATOM 0 HD21 ASN A 802 24.240 33.225 25.461 1.00 32.78 H new ATOM 0 HD22 ASN A 802 24.257 32.340 24.264 1.00 32.78 H new ATOM 851 N ARG A 803 22.317 28.435 28.027 1.00 29.38 N ATOM 852 CA AARG A 803 21.077 28.203 28.756 0.43 33.23 C ATOM 853 CA BARG A 803 21.077 28.198 28.743 0.57 32.88 C ATOM 854 C ARG A 803 21.252 28.783 30.142 1.00 31.80 C ATOM 855 O ARG A 803 22.278 28.554 30.807 1.00 33.23 O ATOM 856 CB AARG A 803 20.758 26.712 28.853 0.43 35.80 C ATOM 857 CB BARG A 803 20.765 26.698 28.789 0.57 34.71 C ATOM 858 CG AARG A 803 19.842 26.312 30.012 0.43 37.24 C ATOM 859 CG BARG A 803 19.471 26.302 29.506 0.57 34.61 C ATOM 860 CD AARG A 803 19.455 24.842 29.939 0.43 39.67 C ATOM 861 CD BARG A 803 19.355 24.794 29.730 0.57 38.43 C ATOM 862 NE AARG A 803 18.243 24.690 29.163 0.43 42.16 N ATOM 863 NE BARG A 803 18.028 24.490 30.265 0.57 41.48 N ATOM 864 CZ AARG A 803 17.034 24.578 29.693 0.43 41.17 C ATOM 865 CZ BARG A 803 17.722 24.075 31.494 0.57 45.53 C ATOM 866 NH1AARG A 803 16.876 24.577 31.010 0.43 44.12 N ATOM 867 NH1BARG A 803 18.638 23.764 32.405 0.57 48.15 N ATOM 868 NH2AARG A 803 15.998 24.471 28.890 0.43 36.92 N ATOM 869 NH2BARG A 803 16.443 23.899 31.789 0.57 53.08 N ATOM 0 H AARG A 803 23.023 28.275 28.492 0.43 29.38 H new ATOM 0 H BARG A 803 23.021 28.280 28.496 0.57 29.38 H new ATOM 0 HA AARG A 803 20.339 28.625 28.289 0.43 32.88 H new ATOM 0 HA BARG A 803 20.326 28.622 28.298 0.57 32.88 H new ATOM 0 HB2AARG A 803 20.345 26.430 28.022 0.43 34.71 H new ATOM 0 HB2BARG A 803 20.723 26.367 27.878 0.57 34.71 H new ATOM 0 HB3AARG A 803 21.592 26.223 28.936 0.43 34.71 H new ATOM 0 HB3BARG A 803 21.505 26.245 29.222 0.57 34.71 H new ATOM 0 HG2AARG A 803 20.289 26.488 30.854 0.43 34.61 H new ATOM 0 HG2BARG A 803 19.429 26.756 30.362 0.57 34.61 H new ATOM 0 HG3AARG A 803 19.041 26.859 29.996 0.43 34.61 H new ATOM 0 HG3BARG A 803 18.711 26.607 28.985 0.57 34.61 H new ATOM 0 HD2AARG A 803 20.173 24.330 29.536 0.43 38.43 H new ATOM 0 HD2BARG A 803 19.496 24.320 28.896 0.57 38.43 H new ATOM 0 HD3AARG A 803 19.323 24.489 30.833 0.43 38.43 H new ATOM 0 HD3BARG A 803 20.041 24.494 30.346 0.57 38.43 H new ATOM 0 HE AARG A 803 18.312 24.671 28.306 0.43 41.48 H new ATOM 0 HE BARG A 803 17.368 24.591 29.723 0.57 41.48 H new ATOM 0 HH11AARG A 803 17.561 24.649 31.525 0.43 48.15 H new ATOM 0 HH11BARG A 803 19.474 23.827 32.213 0.57 48.15 H new ATOM 0 HH12AARG A 803 16.089 24.504 31.349 0.43 48.15 H new ATOM 0 HH12BARG A 803 18.395 23.500 33.187 0.57 48.15 H new ATOM 0 HH21AARG A 803 16.112 24.475 28.038 0.43 53.08 H new ATOM 0 HH21BARG A 803 15.840 24.052 31.195 0.57 53.08 H new ATOM 0 HH22AARG A 803 15.206 24.397 29.217 0.43 53.08 H new ATOM 0 HH22BARG A 803 16.216 23.632 32.574 0.57 53.08 H new ATOM 870 N GLU A 804 20.265 29.554 30.572 1.00 35.33 N ATOM 871 CA GLU A 804 20.313 30.173 31.909 1.00 39.75 C ATOM 872 C GLU A 804 20.404 29.057 32.941 1.00 38.22 C ATOM 873 O GLU A 804 19.631 28.133 32.890 1.00 34.96 O ATOM 874 CB GLU A 804 19.038 30.989 32.131 1.00 49.18 C ATOM 875 CG GLU A 804 18.991 31.718 33.466 1.00 66.87 C ATOM 876 CD GLU A 804 17.741 32.597 33.611 1.00 80.16 C ATOM 877 OE1 GLU A 804 17.057 32.901 32.591 1.00 80.72 O ATOM 878 OE2 GLU A 804 17.436 32.981 34.763 1.00 92.93 O ATOM 0 H GLU A 804 19.559 29.736 30.116 1.00 35.33 H new ATOM 0 HA GLU A 804 21.080 30.762 31.989 1.00 39.75 H new ATOM 0 HB2 GLU A 804 18.953 31.639 31.416 1.00 49.18 H new ATOM 0 HB3 GLU A 804 18.272 30.397 32.070 1.00 49.18 H new ATOM 0 HG2 GLU A 804 19.012 31.069 34.187 1.00 66.87 H new ATOM 0 HG3 GLU A 804 19.783 32.270 33.558 1.00 66.87 H new ATOM 879 N GLY A 805 21.375 29.134 33.830 1.00 35.45 N ATOM 880 CA GLY A 805 21.526 28.169 34.918 1.00 43.53 C ATOM 881 C GLY A 805 22.332 26.917 34.617 1.00 43.04 C ATOM 882 O GLY A 805 22.499 26.077 35.503 1.00 46.32 O ATOM 0 H GLY A 805 21.974 29.751 33.825 1.00 35.45 H new ATOM 0 HA2 GLY A 805 21.941 28.622 35.669 1.00 43.53 H new ATOM 0 HA3 GLY A 805 20.641 27.897 35.205 1.00 43.53 H new ATOM 883 N SER A 806 22.853 26.787 33.385 1.00 36.90 N ATOM 884 CA SER A 806 23.683 25.647 33.014 1.00 36.96 C ATOM 885 C SER A 806 24.971 26.113 32.389 1.00 37.08 C ATOM 886 O SER A 806 25.042 27.182 31.778 1.00 36.10 O ATOM 887 CB SER A 806 22.939 24.718 31.997 1.00 40.39 C ATOM 888 OG SER A 806 21.873 24.041 32.606 1.00 43.16 O ATOM 0 H SER A 806 22.732 27.356 32.752 1.00 36.90 H new ATOM 0 HA SER A 806 23.872 25.149 33.825 1.00 36.96 H new ATOM 0 HB2 SER A 806 22.606 25.248 31.256 1.00 40.39 H new ATOM 0 HB3 SER A 806 23.564 24.075 31.627 1.00 40.39 H new ATOM 0 HG SER A 806 21.729 23.321 32.199 1.00 43.16 H new ATOM 889 N GLN A 807 25.976 25.275 32.530 1.00 34.40 N ATOM 890 CA GLN A 807 27.241 25.458 31.887 1.00 45.08 C ATOM 891 C GLN A 807 27.451 24.301 30.874 1.00 38.01 C ATOM 892 O GLN A 807 27.083 23.138 31.136 1.00 33.25 O ATOM 893 CB GLN A 807 28.361 25.478 32.938 1.00 55.94 C ATOM 894 CG GLN A 807 28.718 26.868 33.452 1.00 69.37 C ATOM 895 CD GLN A 807 29.212 27.801 32.342 1.00 81.68 C ATOM 896 OE1 GLN A 807 29.888 27.359 31.396 1.00 79.44 O ATOM 897 NE2 GLN A 807 28.844 29.096 32.430 1.00 91.40 N ATOM 0 H GLN A 807 25.934 24.567 33.016 1.00 34.40 H new ATOM 0 HA GLN A 807 27.260 26.305 31.414 1.00 45.08 H new ATOM 0 HB2 GLN A 807 28.094 24.926 33.690 1.00 55.94 H new ATOM 0 HB3 GLN A 807 29.155 25.073 32.556 1.00 55.94 H new ATOM 0 HG2 GLN A 807 27.940 27.261 33.877 1.00 69.37 H new ATOM 0 HG3 GLN A 807 29.404 26.790 34.133 1.00 69.37 H new ATOM 0 HE21 GLN A 807 28.376 29.366 33.099 1.00 91.40 H new ATOM 0 HE22 GLN A 807 29.077 29.652 31.817 1.00 91.40 H new ATOM 898 N GLY A 808 28.033 24.630 29.729 1.00 33.89 N ATOM 899 CA GLY A 808 28.325 23.618 28.720 1.00 36.84 C ATOM 900 C GLY A 808 29.326 22.563 29.228 1.00 33.09 C ATOM 901 O GLY A 808 30.091 22.815 30.143 1.00 31.27 O ATOM 0 H GLY A 808 28.267 25.430 29.516 1.00 33.89 H new ATOM 0 HA2 GLY A 808 27.501 23.179 28.456 1.00 36.84 H new ATOM 0 HA3 GLY A 808 28.684 24.047 27.928 1.00 36.84 H new ATOM 902 N PRO A 809 29.335 21.370 28.603 1.00 30.55 N ATOM 903 CA PRO A 809 30.286 20.351 29.016 1.00 28.08 C ATOM 904 C PRO A 809 31.701 20.706 28.670 1.00 29.49 C ATOM 905 O PRO A 809 31.991 21.370 27.635 1.00 30.20 O ATOM 906 CB PRO A 809 29.816 19.109 28.251 1.00 28.23 C ATOM 907 CG PRO A 809 29.206 19.666 27.006 1.00 30.36 C ATOM 908 CD PRO A 809 28.466 20.904 27.534 1.00 29.81 C ATOM 0 HA PRO A 809 30.302 20.230 29.978 1.00 28.08 H new ATOM 0 HB2 PRO A 809 30.555 18.514 28.050 1.00 28.23 H new ATOM 0 HB3 PRO A 809 29.172 18.597 28.765 1.00 28.23 H new ATOM 0 HG2 PRO A 809 29.878 19.899 26.346 1.00 30.36 H new ATOM 0 HG3 PRO A 809 28.602 19.035 26.585 1.00 30.36 H new ATOM 0 HD2 PRO A 809 28.352 21.576 26.844 1.00 29.81 H new ATOM 0 HD3 PRO A 809 27.581 20.681 27.862 1.00 29.81 H new ATOM 909 N GLN A 810 32.596 20.124 29.465 1.00 33.37 N ATOM 910 CA GLN A 810 34.029 20.221 29.217 1.00 36.59 C ATOM 911 C GLN A 810 34.461 19.642 27.899 1.00 36.63 C ATOM 912 O GLN A 810 35.376 20.201 27.264 1.00 34.87 O ATOM 913 CB GLN A 810 34.822 19.515 30.320 1.00 43.08 C ATOM 914 CG GLN A 810 34.520 20.020 31.721 1.00 56.74 C ATOM 915 CD GLN A 810 34.784 21.499 31.864 1.00 68.50 C ATOM 916 OE1 GLN A 810 35.805 22.020 31.395 1.00 79.73 O ATOM 917 NE2 GLN A 810 33.846 22.194 32.488 1.00 80.43 N ATOM 0 H GLN A 810 32.389 19.663 30.161 1.00 33.37 H new ATOM 0 HA GLN A 810 34.214 21.173 29.203 1.00 36.59 H new ATOM 0 HB2 GLN A 810 34.634 18.564 30.282 1.00 43.08 H new ATOM 0 HB3 GLN A 810 35.770 19.624 30.144 1.00 43.08 H new ATOM 0 HG2 GLN A 810 33.592 19.837 31.936 1.00 56.74 H new ATOM 0 HG3 GLN A 810 35.061 19.533 32.362 1.00 56.74 H new ATOM 0 HE21 GLN A 810 33.151 21.795 32.800 1.00 80.43 H new ATOM 0 HE22 GLN A 810 33.932 23.045 32.581 1.00 80.43 H new ATOM 918 N LYS A 811 33.842 18.525 27.482 1.00 30.37 N ATOM 919 CA LYS A 811 34.228 17.865 26.245 1.00 26.80 C ATOM 920 C LYS A 811 33.014 17.529 25.425 1.00 24.22 C ATOM 921 O LYS A 811 32.396 16.441 25.600 1.00 23.59 O ATOM 922 CB LYS A 811 35.019 16.625 26.564 1.00 31.92 C ATOM 923 CG LYS A 811 35.569 15.962 25.272 1.00 36.71 C ATOM 924 CD LYS A 811 36.356 14.708 25.639 1.00 43.21 C ATOM 925 CE LYS A 811 36.676 13.830 24.454 1.00 47.72 C ATOM 926 NZ LYS A 811 37.169 12.567 25.057 1.00 50.61 N ATOM 0 H LYS A 811 33.199 18.142 27.906 1.00 30.37 H new ATOM 0 HA LYS A 811 34.782 18.465 25.722 1.00 26.80 H new ATOM 0 HB2 LYS A 811 35.756 16.851 27.153 1.00 31.92 H new ATOM 0 HB3 LYS A 811 34.458 15.994 27.041 1.00 31.92 H new ATOM 0 HG2 LYS A 811 34.837 15.734 24.677 1.00 36.71 H new ATOM 0 HG3 LYS A 811 36.139 16.585 24.795 1.00 36.71 H new ATOM 0 HD2 LYS A 811 37.184 14.969 26.072 1.00 43.21 H new ATOM 0 HD3 LYS A 811 35.848 14.194 26.286 1.00 43.21 H new ATOM 0 HE2 LYS A 811 35.892 13.677 23.904 1.00 47.72 H new ATOM 0 HE3 LYS A 811 37.347 14.236 23.884 1.00 47.72 H new ATOM 0 HZ1 LYS A 811 37.799 12.215 24.536 1.00 50.61 H new ATOM 0 HZ2 LYS A 811 37.510 12.735 25.862 1.00 50.61 H new ATOM 0 HZ3 LYS A 811 36.494 11.992 25.135 1.00 50.61 H new ATOM 927 N PRO A 812 32.617 18.451 24.553 1.00 25.87 N ATOM 928 CA PRO A 812 31.450 18.196 23.763 1.00 25.85 C ATOM 929 C PRO A 812 31.679 17.012 22.818 1.00 25.43 C ATOM 930 O PRO A 812 32.815 16.745 22.410 1.00 26.74 O ATOM 931 CB PRO A 812 31.316 19.499 22.913 1.00 28.21 C ATOM 932 CG PRO A 812 31.986 20.546 23.771 1.00 27.07 C ATOM 933 CD PRO A 812 33.182 19.803 24.275 1.00 27.24 C ATOM 0 HA PRO A 812 30.672 17.984 24.303 1.00 25.85 H new ATOM 0 HB2 PRO A 812 31.752 19.410 22.051 1.00 28.21 H new ATOM 0 HB3 PRO A 812 30.387 19.719 22.740 1.00 28.21 H new ATOM 0 HG2 PRO A 812 32.234 21.332 23.260 1.00 27.07 H new ATOM 0 HG3 PRO A 812 31.413 20.847 24.493 1.00 27.07 H new ATOM 0 HD2 PRO A 812 33.893 19.770 23.616 1.00 27.24 H new ATOM 0 HD3 PRO A 812 33.553 20.212 25.072 1.00 27.24 H new ATOM 934 N MET A 813 30.616 16.339 22.425 1.00 20.67 N ATOM 935 CA MET A 813 30.732 15.185 21.576 1.00 20.12 C ATOM 936 C MET A 813 29.441 15.062 20.780 1.00 20.49 C ATOM 937 O MET A 813 28.378 15.414 21.273 1.00 21.15 O ATOM 938 CB MET A 813 30.985 13.931 22.459 1.00 22.60 C ATOM 939 CG MET A 813 31.421 12.668 21.656 1.00 22.38 C ATOM 940 SD MET A 813 32.745 12.793 20.426 1.00 26.54 S ATOM 941 CE MET A 813 33.968 13.364 21.586 1.00 31.07 C ATOM 0 H MET A 813 29.809 16.541 22.645 1.00 20.67 H new ATOM 0 HA MET A 813 31.476 15.267 20.959 1.00 20.12 H new ATOM 0 HB2 MET A 813 31.671 14.140 23.113 1.00 22.60 H new ATOM 0 HB3 MET A 813 30.176 13.726 22.953 1.00 22.60 H new ATOM 0 HG2 MET A 813 31.688 11.994 22.300 1.00 22.38 H new ATOM 0 HG3 MET A 813 30.634 12.329 21.200 1.00 22.38 H new ATOM 0 HE1 MET A 813 34.851 13.282 21.192 1.00 31.07 H new ATOM 0 HE2 MET A 813 33.797 14.293 21.805 1.00 31.07 H new ATOM 0 HE3 MET A 813 33.923 12.828 22.393 1.00 31.07 H new ATOM 942 N TRP A 814 29.516 14.524 19.592 1.00 18.81 N ATOM 943 CA TRP A 814 28.371 14.340 18.745 1.00 18.33 C ATOM 944 C TRP A 814 28.598 13.248 17.766 1.00 16.80 C ATOM 945 O TRP A 814 29.775 12.821 17.564 1.00 18.73 O ATOM 946 CB TRP A 814 27.982 15.714 18.044 1.00 17.09 C ATOM 947 CG TRP A 814 29.053 16.335 17.183 1.00 19.08 C ATOM 948 CD1 TRP A 814 29.142 16.268 15.854 1.00 22.10 C ATOM 949 CD2 TRP A 814 30.161 17.132 17.624 1.00 19.28 C ATOM 950 NE1 TRP A 814 30.233 16.966 15.421 1.00 20.68 N ATOM 951 CE2 TRP A 814 30.857 17.525 16.489 1.00 20.62 C ATOM 952 CE3 TRP A 814 30.624 17.531 18.881 1.00 21.01 C ATOM 953 CZ2 TRP A 814 32.003 18.306 16.537 1.00 24.77 C ATOM 954 CZ3 TRP A 814 31.775 18.315 18.963 1.00 24.93 C ATOM 955 CH2 TRP A 814 32.482 18.666 17.780 1.00 26.95 C ATOM 0 H TRP A 814 30.253 14.248 19.245 1.00 18.81 H new ATOM 0 HA TRP A 814 27.617 14.066 19.290 1.00 18.33 H new ATOM 0 HB2 TRP A 814 27.195 15.567 17.497 1.00 17.09 H new ATOM 0 HB3 TRP A 814 27.734 16.351 18.733 1.00 17.09 H new ATOM 0 HD1 TRP A 814 28.548 15.812 15.303 1.00 22.10 H new ATOM 0 HE1 TRP A 814 30.485 17.040 14.602 1.00 20.68 H new ATOM 0 HE3 TRP A 814 30.171 17.277 19.652 1.00 21.01 H new ATOM 0 HZ2 TRP A 814 32.433 18.577 15.758 1.00 24.77 H new ATOM 0 HZ3 TRP A 814 32.080 18.608 19.791 1.00 24.93 H new ATOM 0 HH2 TRP A 814 33.277 19.144 17.845 1.00 26.95 H new ATOM 956 N LEU A 815 27.502 12.737 17.163 1.00 16.16 N ATOM 957 CA LEU A 815 27.572 11.500 16.333 1.00 18.31 C ATOM 958 C LEU A 815 28.454 11.647 15.112 1.00 19.88 C ATOM 959 O LEU A 815 29.257 10.773 14.817 1.00 17.60 O ATOM 960 CB LEU A 815 26.244 10.950 15.938 1.00 17.59 C ATOM 961 CG LEU A 815 25.310 10.581 17.082 1.00 18.57 C ATOM 962 CD1 LEU A 815 23.917 10.368 16.551 1.00 18.93 C ATOM 963 CD2 LEU A 815 25.757 9.271 17.769 1.00 19.11 C ATOM 0 H LEU A 815 26.717 13.084 17.219 1.00 16.16 H new ATOM 0 HA LEU A 815 27.983 10.855 16.929 1.00 18.31 H new ATOM 0 HB2 LEU A 815 25.797 11.603 15.376 1.00 17.59 H new ATOM 0 HB3 LEU A 815 26.389 10.160 15.394 1.00 17.59 H new ATOM 0 HG LEU A 815 25.332 11.308 17.724 1.00 18.57 H new ATOM 0 HD11 LEU A 815 23.324 10.133 17.282 1.00 18.93 H new ATOM 0 HD12 LEU A 815 23.603 11.183 16.130 1.00 18.93 H new ATOM 0 HD13 LEU A 815 23.925 9.650 15.899 1.00 18.93 H new ATOM 0 HD21 LEU A 815 25.146 9.060 18.492 1.00 19.11 H new ATOM 0 HD22 LEU A 815 25.753 8.548 17.122 1.00 19.11 H new ATOM 0 HD23 LEU A 815 26.653 9.381 18.125 1.00 19.11 H new ATOM 964 N ASN A 816 28.373 12.787 14.430 1.00 19.32 N ATOM 965 CA ASN A 816 29.239 13.032 13.257 1.00 21.74 C ATOM 966 C ASN A 816 30.691 13.055 13.581 1.00 18.64 C ATOM 967 O ASN A 816 31.462 12.679 12.763 1.00 21.68 O ATOM 968 CB ASN A 816 28.815 14.256 12.432 1.00 21.54 C ATOM 969 CG ASN A 816 27.397 14.128 11.789 1.00 26.20 C ATOM 970 OD1 ASN A 816 26.793 13.058 11.664 1.00 27.63 O ATOM 971 ND2 ASN A 816 26.851 15.295 11.353 1.00 26.62 N ATOM 0 H ASN A 816 27.833 13.429 14.620 1.00 19.32 H new ATOM 0 HA ASN A 816 29.102 12.257 12.689 1.00 21.74 H new ATOM 0 HB2 ASN A 816 28.832 15.041 13.002 1.00 21.54 H new ATOM 0 HB3 ASN A 816 29.467 14.402 11.729 1.00 21.54 H new ATOM 0 HD21 ASN A 816 26.074 15.295 10.984 1.00 26.62 H new ATOM 0 HD22 ASN A 816 27.283 16.033 11.446 1.00 26.62 H new ATOM 972 N LYS A 817 31.077 13.525 14.754 1.00 20.03 N ATOM 973 CA LYS A 817 32.428 13.510 15.176 1.00 23.17 C ATOM 974 C LYS A 817 32.889 12.079 15.425 1.00 22.67 C ATOM 975 O LYS A 817 34.010 11.715 15.021 1.00 18.64 O ATOM 976 CB LYS A 817 32.627 14.354 16.422 1.00 24.23 C ATOM 977 CG LYS A 817 34.055 14.482 16.891 1.00 31.32 C ATOM 978 CD LYS A 817 34.050 15.398 18.071 1.00 33.89 C ATOM 979 CE LYS A 817 35.375 15.521 18.784 1.00 44.15 C ATOM 980 NZ LYS A 817 36.275 16.319 17.938 1.00 53.31 N ATOM 0 H LYS A 817 30.536 13.866 15.329 1.00 20.03 H new ATOM 0 HA LYS A 817 32.966 13.895 14.467 1.00 23.17 H new ATOM 0 HB2 LYS A 817 32.277 15.243 16.253 1.00 24.23 H new ATOM 0 HB3 LYS A 817 32.099 13.973 17.141 1.00 24.23 H new ATOM 0 HG2 LYS A 817 34.416 13.614 17.132 1.00 31.32 H new ATOM 0 HG3 LYS A 817 34.617 14.836 16.184 1.00 31.32 H new ATOM 0 HD2 LYS A 817 33.772 16.280 17.778 1.00 33.89 H new ATOM 0 HD3 LYS A 817 33.384 15.086 18.704 1.00 33.89 H new ATOM 0 HE2 LYS A 817 35.257 15.946 19.648 1.00 44.15 H new ATOM 0 HE3 LYS A 817 35.754 14.643 18.949 1.00 44.15 H new ATOM 0 HZ1 LYS A 817 37.064 16.404 18.341 1.00 53.31 H new ATOM 0 HZ2 LYS A 817 36.385 15.912 17.154 1.00 53.31 H new ATOM 0 HZ3 LYS A 817 35.922 17.125 17.806 1.00 53.31 H new ATOM 981 N VAL A 818 32.048 11.287 16.031 1.00 19.87 N ATOM 982 CA VAL A 818 32.376 9.831 16.245 1.00 20.32 C ATOM 983 C VAL A 818 32.479 9.134 14.896 1.00 21.37 C ATOM 984 O VAL A 818 33.414 8.344 14.677 1.00 20.47 O ATOM 985 CB VAL A 818 31.334 9.117 17.138 1.00 19.39 C ATOM 986 CG1 VAL A 818 31.610 7.612 17.234 1.00 20.86 C ATOM 987 CG2 VAL A 818 31.295 9.735 18.522 1.00 19.92 C ATOM 0 H VAL A 818 31.282 11.533 16.336 1.00 19.87 H new ATOM 0 HA VAL A 818 33.226 9.783 16.710 1.00 20.32 H new ATOM 0 HB VAL A 818 30.466 9.235 16.721 1.00 19.39 H new ATOM 0 HG11 VAL A 818 30.941 7.195 17.799 1.00 20.86 H new ATOM 0 HG12 VAL A 818 31.574 7.219 16.348 1.00 20.86 H new ATOM 0 HG13 VAL A 818 32.490 7.468 17.616 1.00 20.86 H new ATOM 0 HG21 VAL A 818 30.636 9.273 19.064 1.00 19.92 H new ATOM 0 HG22 VAL A 818 32.168 9.655 18.937 1.00 19.92 H new ATOM 0 HG23 VAL A 818 31.055 10.672 18.451 1.00 19.92 H new ATOM 988 N LYS A 819 31.568 9.448 13.960 1.00 19.01 N ATOM 989 CA LYS A 819 31.648 8.907 12.592 1.00 21.23 C ATOM 990 C LYS A 819 32.998 9.201 11.902 1.00 21.26 C ATOM 991 O LYS A 819 33.663 8.311 11.357 1.00 22.81 O ATOM 992 CB LYS A 819 30.494 9.438 11.738 1.00 22.10 C ATOM 993 CG LYS A 819 30.442 8.788 10.405 1.00 27.16 C ATOM 994 CD LYS A 819 29.349 9.258 9.492 1.00 32.76 C ATOM 995 CE LYS A 819 28.029 8.692 9.868 1.00 34.16 C ATOM 996 NZ LYS A 819 27.077 8.800 8.715 1.00 42.69 N ATOM 0 H LYS A 819 30.899 9.971 14.097 1.00 19.01 H new ATOM 0 HA LYS A 819 31.578 7.943 12.673 1.00 21.23 H new ATOM 0 HB2 LYS A 819 29.655 9.290 12.202 1.00 22.10 H new ATOM 0 HB3 LYS A 819 30.591 10.397 11.626 1.00 22.10 H new ATOM 0 HG2 LYS A 819 31.293 8.929 9.962 1.00 27.16 H new ATOM 0 HG3 LYS A 819 30.344 7.832 10.534 1.00 27.16 H new ATOM 0 HD2 LYS A 819 29.303 10.227 9.515 1.00 32.76 H new ATOM 0 HD3 LYS A 819 29.560 9.006 8.579 1.00 32.76 H new ATOM 0 HE2 LYS A 819 28.129 7.763 10.128 1.00 34.16 H new ATOM 0 HE3 LYS A 819 27.673 9.165 10.636 1.00 34.16 H new ATOM 0 HZ1 LYS A 819 26.346 8.322 8.887 1.00 42.69 H new ATOM 0 HZ2 LYS A 819 26.852 9.653 8.595 1.00 42.69 H new ATOM 0 HZ3 LYS A 819 27.467 8.490 7.978 1.00 42.69 H new ATOM 997 N THR A 820 33.438 10.433 12.016 1.00 23.18 N ATOM 998 CA THR A 820 34.739 10.846 11.453 1.00 24.37 C ATOM 999 C THR A 820 35.912 10.140 12.139 1.00 23.86 C ATOM 1000 O THR A 820 36.878 9.725 11.475 1.00 22.13 O ATOM 1001 CB THR A 820 34.827 12.352 11.552 1.00 24.81 C ATOM 1002 OG1 THR A 820 33.851 12.881 10.650 1.00 26.45 O ATOM 1003 CG2 THR A 820 36.223 12.825 11.190 1.00 35.56 C ATOM 0 H THR A 820 33.008 11.062 12.415 1.00 23.18 H new ATOM 0 HA THR A 820 34.798 10.580 10.522 1.00 24.37 H new ATOM 0 HB THR A 820 34.654 12.657 12.456 1.00 24.81 H new ATOM 0 HG1 THR A 820 33.104 12.913 11.032 1.00 26.45 H new ATOM 0 HG21 THR A 820 36.265 13.792 11.258 1.00 35.56 H new ATOM 0 HG22 THR A 820 36.867 12.430 11.799 1.00 35.56 H new ATOM 0 HG23 THR A 820 36.431 12.556 10.282 1.00 35.56 H new ATOM 1004 N SER A 821 35.829 10.037 13.456 1.00 22.72 N ATOM 1005 CA SER A 821 36.861 9.366 14.218 1.00 25.14 C ATOM 1006 C SER A 821 36.999 7.885 13.847 1.00 23.51 C ATOM 1007 O SER A 821 38.137 7.382 13.771 1.00 22.98 O ATOM 1008 CB SER A 821 36.696 9.509 15.738 1.00 25.69 C ATOM 1009 OG SER A 821 36.723 10.881 16.128 1.00 29.95 O ATOM 0 H SER A 821 35.181 10.350 13.926 1.00 22.72 H new ATOM 0 HA SER A 821 37.679 9.825 13.970 1.00 25.14 H new ATOM 0 HB2 SER A 821 35.858 9.107 16.015 1.00 25.69 H new ATOM 0 HB3 SER A 821 37.405 9.027 16.191 1.00 25.69 H new ATOM 0 HG SER A 821 36.014 11.257 15.880 1.00 29.95 H new ATOM 1010 N LEU A 822 35.899 7.210 13.628 1.00 23.39 N ATOM 1011 CA LEU A 822 35.919 5.841 13.158 1.00 24.84 C ATOM 1012 C LEU A 822 36.466 5.716 11.769 1.00 29.83 C ATOM 1013 O LEU A 822 37.245 4.805 11.462 1.00 27.94 O ATOM 1014 CB LEU A 822 34.526 5.243 13.150 1.00 26.12 C ATOM 1015 CG LEU A 822 34.031 4.527 14.322 1.00 27.26 C ATOM 1016 CD1 LEU A 822 32.581 4.151 14.027 1.00 27.99 C ATOM 1017 CD2 LEU A 822 34.866 3.251 14.635 1.00 24.45 C ATOM 0 H LEU A 822 35.110 7.531 13.747 1.00 23.39 H new ATOM 0 HA LEU A 822 36.496 5.365 13.776 1.00 24.84 H new ATOM 0 HB2 LEU A 822 33.904 5.965 12.969 1.00 26.12 H new ATOM 0 HB3 LEU A 822 34.479 4.632 12.398 1.00 26.12 H new ATOM 0 HG LEU A 822 34.104 5.094 15.105 1.00 27.26 H new ATOM 0 HD11 LEU A 822 32.211 3.671 14.784 1.00 27.99 H new ATOM 0 HD12 LEU A 822 32.063 4.956 13.871 1.00 27.99 H new ATOM 0 HD13 LEU A 822 32.547 3.587 13.239 1.00 27.99 H new ATOM 0 HD21 LEU A 822 34.502 2.810 15.418 1.00 24.45 H new ATOM 0 HD22 LEU A 822 34.829 2.646 13.878 1.00 24.45 H new ATOM 0 HD23 LEU A 822 35.788 3.501 14.804 1.00 24.45 H new ATOM 1018 N ASN A 823 36.044 6.604 10.897 1.00 29.84 N ATOM 1019 CA ASN A 823 36.534 6.618 9.521 1.00 31.91 C ATOM 1020 C ASN A 823 38.040 6.858 9.428 1.00 32.36 C ATOM 1021 O ASN A 823 38.687 6.275 8.552 1.00 32.17 O ATOM 1022 CB ASN A 823 35.755 7.665 8.688 1.00 33.94 C ATOM 1023 CG ASN A 823 36.289 7.783 7.253 1.00 40.93 C ATOM 1024 OD1 ASN A 823 36.931 8.759 6.866 1.00 53.10 O ATOM 1025 ND2 ASN A 823 36.045 6.780 6.490 1.00 39.20 N ATOM 0 H ASN A 823 35.468 7.217 11.076 1.00 29.84 H new ATOM 0 HA ASN A 823 36.376 5.734 9.153 1.00 31.91 H new ATOM 0 HB2 ASN A 823 34.816 7.421 8.663 1.00 33.94 H new ATOM 0 HB3 ASN A 823 35.812 8.530 9.124 1.00 33.94 H new ATOM 0 HD21 ASN A 823 36.333 6.776 5.680 1.00 39.20 H new ATOM 0 HD22 ASN A 823 35.593 6.112 6.789 1.00 39.20 H new ATOM 1026 N GLU A 824 38.594 7.690 10.314 1.00 28.52 N ATOM 1027 CA GLU A 824 40.001 8.044 10.301 1.00 32.31 C ATOM 1028 C GLU A 824 40.811 7.064 11.213 1.00 31.02 C ATOM 1029 O GLU A 824 41.969 7.302 11.477 1.00 31.60 O ATOM 1030 CB GLU A 824 40.182 9.507 10.706 1.00 36.94 C ATOM 1031 CG GLU A 824 39.633 10.458 9.625 1.00 45.79 C ATOM 1032 CD GLU A 824 39.649 11.986 9.965 1.00 68.52 C ATOM 1033 OE1 GLU A 824 40.206 12.391 11.018 1.00 79.76 O ATOM 1034 OE2 GLU A 824 39.103 12.830 9.164 1.00 79.34 O ATOM 0 H GLU A 824 38.149 8.067 10.947 1.00 28.52 H new ATOM 0 HA GLU A 824 40.351 7.953 9.401 1.00 32.31 H new ATOM 0 HB2 GLU A 824 39.726 9.671 11.546 1.00 36.94 H new ATOM 0 HB3 GLU A 824 41.123 9.690 10.853 1.00 36.94 H new ATOM 0 HG2 GLU A 824 40.146 10.322 8.813 1.00 45.79 H new ATOM 0 HG3 GLU A 824 38.719 10.200 9.430 1.00 45.79 H new ATOM 1035 N GLN A 825 40.166 6.001 11.687 1.00 27.51 N ATOM 1036 CA GLN A 825 40.801 4.972 12.529 1.00 27.59 C ATOM 1037 C GLN A 825 41.495 5.573 13.725 1.00 28.22 C ATOM 1038 O GLN A 825 42.607 5.219 14.007 1.00 30.06 O ATOM 1039 CB GLN A 825 41.810 4.147 11.699 1.00 30.02 C ATOM 1040 CG GLN A 825 41.149 3.395 10.556 1.00 34.15 C ATOM 1041 CD GLN A 825 42.086 2.970 9.444 1.00 37.20 C ATOM 1042 OE1 GLN A 825 42.793 3.776 8.862 1.00 40.20 O ATOM 1043 NE2 GLN A 825 41.981 1.740 9.062 1.00 32.91 N ATOM 0 H GLN A 825 39.334 5.850 11.529 1.00 27.51 H new ATOM 0 HA GLN A 825 40.096 4.390 12.855 1.00 27.59 H new ATOM 0 HB2 GLN A 825 42.490 4.739 11.342 1.00 30.02 H new ATOM 0 HB3 GLN A 825 42.261 3.515 12.280 1.00 30.02 H new ATOM 0 HG2 GLN A 825 40.715 2.605 10.914 1.00 34.15 H new ATOM 0 HG3 GLN A 825 40.453 3.955 10.178 1.00 34.15 H new ATOM 0 HE21 GLN A 825 41.474 1.197 9.495 1.00 32.91 H new ATOM 0 HE22 GLN A 825 42.419 1.464 8.375 1.00 32.91 H new ATOM 1044 N MET A 826 40.826 6.443 14.463 1.00 24.61 N ATOM 1045 CA AMET A 826 41.395 7.086 15.628 0.53 25.57 C ATOM 1046 CA BMET A 826 41.401 7.098 15.621 0.47 25.96 C ATOM 1047 C MET A 826 41.185 6.276 16.886 1.00 27.00 C ATOM 1048 O MET A 826 41.801 6.540 17.891 1.00 28.70 O ATOM 1049 CB AMET A 826 40.763 8.469 15.854 0.53 30.57 C ATOM 1050 CB BMET A 826 40.797 8.505 15.840 0.47 31.42 C ATOM 1051 CG AMET A 826 40.993 9.424 14.697 0.53 35.37 C ATOM 1052 CG BMET A 826 41.024 9.503 14.699 0.47 36.88 C ATOM 1053 SD AMET A 826 42.706 9.921 14.514 0.53 42.57 S ATOM 1054 SD BMET A 826 40.468 11.170 15.172 0.47 46.68 S ATOM 1055 CE AMET A 826 43.065 10.688 16.103 0.53 41.09 C ATOM 1056 CE BMET A 826 39.916 11.886 13.640 0.47 41.78 C ATOM 0 H AMET A 826 40.016 6.679 14.297 0.53 24.61 H new ATOM 0 H BMET A 826 40.013 6.672 14.302 0.47 24.61 H new ATOM 0 HA AMET A 826 42.345 7.167 15.452 0.53 25.96 H new ATOM 0 HA BMET A 826 42.351 7.182 15.444 0.47 25.96 H new ATOM 0 HB2AMET A 826 39.809 8.364 15.995 0.53 31.42 H new ATOM 0 HB2BMET A 826 39.842 8.412 15.983 0.47 31.42 H new ATOM 0 HB3AMET A 826 41.128 8.857 16.664 0.53 31.42 H new ATOM 0 HB3BMET A 826 41.170 8.877 16.654 0.47 31.42 H new ATOM 0 HG2AMET A 826 40.696 9.003 13.875 0.53 36.88 H new ATOM 0 HG2BMET A 826 41.966 9.526 14.467 0.47 36.88 H new ATOM 0 HG3AMET A 826 40.446 10.215 14.825 0.53 36.88 H new ATOM 0 HG3BMET A 826 40.544 9.210 13.908 0.47 36.88 H new ATOM 0 HE1AMET A 826 43.830 11.277 16.013 0.53 41.78 H new ATOM 0 HE1BMET A 826 40.403 12.708 13.473 0.47 41.78 H new ATOM 0 HE2AMET A 826 42.296 11.201 16.396 0.53 41.78 H new ATOM 0 HE2BMET A 826 40.077 11.262 12.915 0.47 41.78 H new ATOM 0 HE3AMET A 826 43.263 10.000 16.757 0.53 41.78 H new ATOM 0 HE3BMET A 826 38.967 12.078 13.696 0.47 41.78 H new ATOM 1057 N TYR A 827 40.298 5.303 16.886 1.00 24.04 N ATOM 1058 CA TYR A 827 40.109 4.518 18.111 1.00 22.99 C ATOM 1059 C TYR A 827 40.980 3.262 18.032 1.00 25.74 C ATOM 1060 O TYR A 827 40.912 2.579 17.035 1.00 28.85 O ATOM 1061 CB TYR A 827 38.667 4.071 18.324 1.00 23.77 C ATOM 1062 CG TYR A 827 37.663 5.251 18.434 1.00 19.05 C ATOM 1063 CD1 TYR A 827 37.743 6.131 19.466 1.00 18.27 C ATOM 1064 CD2 TYR A 827 36.684 5.455 17.437 1.00 21.75 C ATOM 1065 CE1 TYR A 827 36.850 7.214 19.555 1.00 20.23 C ATOM 1066 CE2 TYR A 827 35.773 6.507 17.510 1.00 22.94 C ATOM 1067 CZ TYR A 827 35.850 7.375 18.577 1.00 21.05 C ATOM 1068 OH TYR A 827 34.940 8.435 18.706 1.00 22.62 O ATOM 0 H TYR A 827 39.805 5.078 16.218 1.00 24.04 H new ATOM 0 HA TYR A 827 40.355 5.093 18.853 1.00 22.99 H new ATOM 0 HB2 TYR A 827 38.402 3.497 17.588 1.00 23.77 H new ATOM 0 HB3 TYR A 827 38.617 3.537 19.132 1.00 23.77 H new ATOM 0 HD1 TYR A 827 38.394 6.016 20.120 1.00 18.27 H new ATOM 0 HD2 TYR A 827 36.646 4.872 16.713 1.00 21.75 H new ATOM 0 HE1 TYR A 827 36.920 7.821 20.256 1.00 20.23 H new ATOM 0 HE2 TYR A 827 35.126 6.621 16.852 1.00 22.94 H new ATOM 0 HH TYR A 827 35.223 8.979 19.280 1.00 22.62 H new ATOM 1069 N THR A 828 41.758 2.967 19.080 1.00 25.80 N ATOM 1070 CA THR A 828 42.572 1.764 19.088 1.00 24.49 C ATOM 1071 C THR A 828 41.903 0.579 19.765 1.00 23.63 C ATOM 1072 O THR A 828 42.269 -0.566 19.499 1.00 23.00 O ATOM 1073 CB THR A 828 43.924 2.011 19.728 1.00 27.69 C ATOM 1074 OG1 THR A 828 43.739 2.458 21.057 1.00 30.73 O ATOM 1075 CG2 THR A 828 44.683 3.061 18.946 1.00 29.43 C ATOM 0 H THR A 828 41.823 3.451 19.788 1.00 25.80 H new ATOM 0 HA THR A 828 42.690 1.535 18.153 1.00 24.49 H new ATOM 0 HB THR A 828 44.432 1.185 19.727 1.00 27.69 H new ATOM 0 HG1 THR A 828 44.487 2.594 21.414 1.00 30.73 H new ATOM 0 HG21 THR A 828 45.546 3.213 19.362 1.00 29.43 H new ATOM 0 HG22 THR A 828 44.813 2.755 18.035 1.00 29.43 H new ATOM 0 HG23 THR A 828 44.177 3.889 18.940 1.00 29.43 H new ATOM 1076 N ARG A 829 40.949 0.857 20.659 1.00 20.25 N ATOM 1077 CA AARG A 829 40.186 -0.167 21.335 0.23 22.49 C ATOM 1078 CA BARG A 829 40.193 -0.149 21.345 0.77 23.60 C ATOM 1079 C ARG A 829 38.698 0.177 21.309 1.00 21.67 C ATOM 1080 O ARG A 829 38.318 1.358 21.188 1.00 20.87 O ATOM 1081 CB AARG A 829 40.675 -0.324 22.776 0.23 24.09 C ATOM 1082 CB BARG A 829 40.651 -0.226 22.786 0.77 26.38 C ATOM 1083 CG AARG A 829 42.076 -0.942 22.874 0.23 25.40 C ATOM 1084 CG BARG A 829 42.039 -0.896 22.907 0.77 28.62 C ATOM 1085 CD AARG A 829 42.521 -1.200 24.296 0.23 27.17 C ATOM 1086 CD BARG A 829 42.533 -0.975 24.300 0.77 31.95 C ATOM 1087 NE AARG A 829 43.651 -2.138 24.339 0.23 28.37 N ATOM 1088 NE BARG A 829 44.000 -1.176 24.296 0.77 32.73 N ATOM 1089 CZ AARG A 829 44.910 -1.831 24.030 0.23 30.13 C ATOM 1090 CZ BARG A 829 44.646 -2.345 24.278 0.77 39.57 C ATOM 1091 NH1AARG A 829 45.235 -0.604 23.701 0.23 29.85 N ATOM 1092 NH1BARG A 829 44.027 -3.566 24.320 0.77 34.71 N ATOM 1093 NH2AARG A 829 45.857 -2.758 24.065 0.23 31.86 N ATOM 1094 NH2BARG A 829 45.978 -2.285 24.224 0.77 40.76 N ATOM 0 H AARG A 829 40.732 1.658 20.885 0.23 20.25 H new ATOM 0 H BARG A 829 40.731 1.660 20.877 0.77 20.25 H new ATOM 0 HA AARG A 829 40.314 -1.010 20.872 0.23 23.60 H new ATOM 0 HA BARG A 829 40.338 -1.000 20.902 0.77 23.60 H new ATOM 0 HB2AARG A 829 40.680 0.545 23.206 0.23 26.38 H new ATOM 0 HB2BARG A 829 40.688 0.667 23.163 0.77 26.38 H new ATOM 0 HB3AARG A 829 40.048 -0.879 23.266 0.23 26.38 H new ATOM 0 HB3BARG A 829 40.003 -0.726 23.306 0.77 26.38 H new ATOM 0 HG2AARG A 829 42.089 -1.778 22.382 0.23 28.62 H new ATOM 0 HG2BARG A 829 41.992 -1.791 22.536 0.77 28.62 H new ATOM 0 HG3AARG A 829 42.714 -0.350 22.445 0.23 28.62 H new ATOM 0 HG3BARG A 829 42.678 -0.400 22.372 0.77 28.62 H new ATOM 0 HD2AARG A 829 42.777 -0.363 24.714 0.23 31.95 H new ATOM 0 HD2BARG A 829 42.310 -0.161 24.779 0.77 31.95 H new ATOM 0 HD3AARG A 829 41.780 -1.559 24.809 0.23 31.95 H new ATOM 0 HD3BARG A 829 42.098 -1.706 24.766 0.77 31.95 H new ATOM 0 HE AARG A 829 43.487 -2.947 24.582 0.23 32.73 H new ATOM 0 HE BARG A 829 44.486 -0.467 24.306 0.77 32.73 H new ATOM 0 HH11AARG A 829 44.633 0.010 23.683 0.23 34.71 H new ATOM 0 HH11BARG A 829 43.169 -3.612 24.361 0.77 34.71 H new ATOM 0 HH12AARG A 829 46.050 -0.413 23.503 0.23 34.71 H new ATOM 0 HH12BARG A 829 44.496 -4.287 24.306 0.77 34.71 H new ATOM 0 HH21AARG A 829 45.661 -3.565 24.288 0.23 40.76 H new ATOM 0 HH21BARG A 829 46.374 -1.522 24.203 0.77 40.76 H new ATOM 0 HH22AARG A 829 46.668 -2.552 23.864 0.23 40.76 H new ATOM 0 HH22BARG A 829 46.441 -3.010 24.210 0.77 40.76 H new ATOM 1095 N VAL A 830 37.874 -0.849 21.462 1.00 19.78 N ATOM 1096 CA VAL A 830 36.421 -0.660 21.534 1.00 20.63 C ATOM 1097 C VAL A 830 36.034 0.384 22.610 1.00 22.47 C ATOM 1098 O VAL A 830 35.092 1.216 22.406 1.00 19.17 O ATOM 1099 CB VAL A 830 35.672 -1.955 21.762 1.00 18.64 C ATOM 1100 CG1 VAL A 830 34.206 -1.701 22.028 1.00 21.68 C ATOM 1101 CG2 VAL A 830 35.793 -2.785 20.533 1.00 22.44 C ATOM 0 H VAL A 830 38.131 -1.667 21.527 1.00 19.78 H new ATOM 0 HA VAL A 830 36.153 -0.322 20.665 1.00 20.63 H new ATOM 0 HB VAL A 830 36.051 -2.404 22.534 1.00 18.64 H new ATOM 0 HG11 VAL A 830 33.752 -2.546 22.170 1.00 21.68 H new ATOM 0 HG12 VAL A 830 34.112 -1.147 22.818 1.00 21.68 H new ATOM 0 HG13 VAL A 830 33.813 -1.247 21.266 1.00 21.68 H new ATOM 0 HG21 VAL A 830 35.318 -3.622 20.659 1.00 22.44 H new ATOM 0 HG22 VAL A 830 35.411 -2.307 19.781 1.00 22.44 H new ATOM 0 HG23 VAL A 830 36.729 -2.968 20.357 1.00 22.44 H new ATOM 1102 N GLU A 831 36.750 0.370 23.733 1.00 19.94 N ATOM 1103 CA GLU A 831 36.520 1.313 24.787 1.00 23.69 C ATOM 1104 C GLU A 831 36.497 2.805 24.351 1.00 20.99 C ATOM 1105 O GLU A 831 35.748 3.587 24.875 1.00 21.69 O ATOM 1106 CB GLU A 831 37.656 1.109 25.762 1.00 30.20 C ATOM 1107 CG GLU A 831 37.612 1.855 27.023 1.00 43.05 C ATOM 1108 CD GLU A 831 38.866 1.497 27.839 1.00 59.22 C ATOM 1109 OE1 GLU A 831 39.974 1.270 27.202 1.00 56.85 O ATOM 1110 OE2 GLU A 831 38.695 1.407 29.088 1.00 66.72 O ATOM 0 H GLU A 831 37.381 -0.193 23.892 1.00 19.94 H new ATOM 0 HA GLU A 831 35.636 1.149 25.152 1.00 23.69 H new ATOM 0 HB2 GLU A 831 37.700 0.164 25.975 1.00 30.20 H new ATOM 0 HB3 GLU A 831 38.483 1.337 25.309 1.00 30.20 H new ATOM 0 HG2 GLU A 831 37.582 2.809 26.850 1.00 43.05 H new ATOM 0 HG3 GLU A 831 36.810 1.631 27.520 1.00 43.05 H new ATOM 1111 N GLY A 832 37.382 3.195 23.463 1.00 21.89 N ATOM 1112 CA GLY A 832 37.456 4.579 22.943 1.00 22.79 C ATOM 1113 C GLY A 832 36.147 5.001 22.305 1.00 23.16 C ATOM 1114 O GLY A 832 35.648 6.097 22.579 1.00 19.58 O ATOM 0 H GLY A 832 37.974 2.669 23.128 1.00 21.89 H new ATOM 0 HA2 GLY A 832 37.676 5.187 23.666 1.00 22.79 H new ATOM 0 HA3 GLY A 832 38.171 4.644 22.291 1.00 22.79 H new ATOM 1115 N PHE A 833 35.615 4.135 21.463 1.00 21.19 N ATOM 1116 CA PHE A 833 34.375 4.399 20.755 1.00 20.71 C ATOM 1117 C PHE A 833 33.222 4.470 21.748 1.00 20.00 C ATOM 1118 O PHE A 833 32.396 5.398 21.726 1.00 16.63 O ATOM 1119 CB PHE A 833 34.138 3.318 19.692 1.00 19.24 C ATOM 1120 CG PHE A 833 32.742 3.270 19.142 1.00 20.09 C ATOM 1121 CD1 PHE A 833 32.346 4.200 18.192 1.00 19.65 C ATOM 1122 CD2 PHE A 833 31.850 2.274 19.523 1.00 21.08 C ATOM 1123 CE1 PHE A 833 31.031 4.205 17.707 1.00 19.99 C ATOM 1124 CE2 PHE A 833 30.546 2.268 19.042 1.00 20.34 C ATOM 1125 CZ PHE A 833 30.144 3.216 18.103 1.00 21.34 C ATOM 0 H PHE A 833 35.965 3.370 21.283 1.00 21.19 H new ATOM 0 HA PHE A 833 34.433 5.254 20.300 1.00 20.71 H new ATOM 0 HB2 PHE A 833 34.756 3.463 18.959 1.00 19.24 H new ATOM 0 HB3 PHE A 833 34.351 2.453 20.076 1.00 19.24 H new ATOM 0 HD1 PHE A 833 32.957 4.825 17.875 1.00 19.65 H new ATOM 0 HD2 PHE A 833 32.129 1.605 20.106 1.00 21.08 H new ATOM 0 HE1 PHE A 833 30.754 4.871 17.120 1.00 19.99 H new ATOM 0 HE2 PHE A 833 29.941 1.631 19.347 1.00 20.34 H new ATOM 0 HZ PHE A 833 29.286 3.185 17.744 1.00 21.34 H new ATOM 1126 N VAL A 834 33.117 3.459 22.614 1.00 19.00 N ATOM 1127 CA VAL A 834 32.031 3.403 23.578 1.00 20.17 C ATOM 1128 C VAL A 834 32.055 4.579 24.533 1.00 18.76 C ATOM 1129 O VAL A 834 30.998 5.132 24.823 1.00 18.47 O ATOM 1130 CB VAL A 834 31.990 2.035 24.356 1.00 19.70 C ATOM 1131 CG1 VAL A 834 30.982 2.025 25.492 1.00 22.09 C ATOM 1132 CG2 VAL A 834 31.694 0.872 23.391 1.00 19.74 C ATOM 0 H VAL A 834 33.667 2.799 22.655 1.00 19.00 H new ATOM 0 HA VAL A 834 31.210 3.463 23.065 1.00 20.17 H new ATOM 0 HB VAL A 834 32.869 1.922 24.751 1.00 19.70 H new ATOM 0 HG11 VAL A 834 31.000 1.161 25.934 1.00 22.09 H new ATOM 0 HG12 VAL A 834 31.207 2.719 26.131 1.00 22.09 H new ATOM 0 HG13 VAL A 834 30.094 2.188 25.138 1.00 22.09 H new ATOM 0 HG21 VAL A 834 31.672 0.038 23.886 1.00 19.74 H new ATOM 0 HG22 VAL A 834 30.835 1.016 22.964 1.00 19.74 H new ATOM 0 HG23 VAL A 834 32.388 0.828 22.715 1.00 19.74 H new ATOM 1133 N GLN A 835 33.216 4.975 25.028 1.00 19.33 N ATOM 1134 CA GLN A 835 33.330 6.151 25.889 1.00 21.07 C ATOM 1135 C GLN A 835 32.822 7.441 25.211 1.00 21.01 C ATOM 1136 O GLN A 835 32.117 8.222 25.845 1.00 21.82 O ATOM 1137 CB GLN A 835 34.755 6.435 26.360 1.00 23.86 C ATOM 1138 CG GLN A 835 35.072 5.487 27.495 1.00 28.39 C ATOM 1139 CD GLN A 835 36.562 5.413 27.890 1.00 36.08 C ATOM 1140 OE1 GLN A 835 37.452 5.904 27.188 1.00 35.89 O ATOM 1141 NE2 GLN A 835 36.815 4.738 29.020 1.00 43.84 N ATOM 0 H GLN A 835 33.962 4.574 24.878 1.00 19.33 H new ATOM 0 HA GLN A 835 32.774 5.921 26.650 1.00 21.07 H new ATOM 0 HB2 GLN A 835 35.383 6.313 25.631 1.00 23.86 H new ATOM 0 HB3 GLN A 835 34.837 7.356 26.654 1.00 23.86 H new ATOM 0 HG2 GLN A 835 34.558 5.754 28.273 1.00 28.39 H new ATOM 0 HG3 GLN A 835 34.773 4.598 27.248 1.00 28.39 H new ATOM 0 HE21 GLN A 835 36.166 4.412 29.480 1.00 43.84 H new ATOM 0 HE22 GLN A 835 37.626 4.631 29.285 1.00 43.84 H new ATOM 1142 N ASP A 836 33.199 7.681 23.986 1.00 22.59 N ATOM 1143 CA ASP A 836 32.672 8.838 23.231 1.00 20.94 C ATOM 1144 C ASP A 836 31.165 8.746 23.015 1.00 21.11 C ATOM 1145 O ASP A 836 30.498 9.746 23.210 1.00 17.82 O ATOM 1146 CB ASP A 836 33.347 9.017 21.881 1.00 22.18 C ATOM 1147 CG ASP A 836 34.727 9.716 21.969 1.00 26.11 C ATOM 1148 OD1 ASP A 836 35.081 10.177 23.074 1.00 28.43 O ATOM 1149 OD2 ASP A 836 35.419 9.751 20.882 1.00 26.90 O ATOM 0 H ASP A 836 33.761 7.197 23.551 1.00 22.59 H new ATOM 0 HA ASP A 836 32.872 9.610 23.784 1.00 20.94 H new ATOM 0 HB2 ASP A 836 33.458 8.148 21.465 1.00 22.18 H new ATOM 0 HB3 ASP A 836 32.766 9.536 21.303 1.00 22.18 H new ATOM 1150 N MET A 837 30.621 7.580 22.668 1.00 18.99 N ATOM 1151 CA MET A 837 29.177 7.428 22.528 1.00 17.86 C ATOM 1152 C MET A 837 28.468 7.748 23.844 1.00 20.05 C ATOM 1153 O MET A 837 27.490 8.565 23.872 1.00 20.35 O ATOM 1154 CB MET A 837 28.770 6.064 21.987 1.00 17.28 C ATOM 1155 CG MET A 837 29.275 5.776 20.578 1.00 19.43 C ATOM 1156 SD MET A 837 28.397 6.854 19.353 1.00 21.27 S ATOM 1157 CE MET A 837 26.781 6.095 19.279 1.00 19.95 C ATOM 0 H MET A 837 31.073 6.865 22.510 1.00 18.99 H new ATOM 0 HA MET A 837 28.890 8.072 21.862 1.00 17.86 H new ATOM 0 HB2 MET A 837 29.103 5.377 22.586 1.00 17.28 H new ATOM 0 HB3 MET A 837 27.802 6.001 21.992 1.00 17.28 H new ATOM 0 HG2 MET A 837 30.231 5.933 20.531 1.00 19.43 H new ATOM 0 HG3 MET A 837 29.130 4.842 20.360 1.00 19.43 H new ATOM 0 HE1 MET A 837 26.287 6.458 18.527 1.00 19.95 H new ATOM 0 HE2 MET A 837 26.878 5.136 19.169 1.00 19.95 H new ATOM 0 HE3 MET A 837 26.299 6.278 20.101 1.00 19.95 H new ATOM 1158 N ARG A 838 28.962 7.191 24.958 1.00 17.69 N ATOM 1159 CA ARG A 838 28.290 7.421 26.229 1.00 20.32 C ATOM 1160 C ARG A 838 28.379 8.888 26.677 1.00 19.42 C ATOM 1161 O ARG A 838 27.467 9.382 27.328 1.00 20.75 O ATOM 1162 CB ARG A 838 28.862 6.501 27.356 1.00 21.01 C ATOM 1163 CG ARG A 838 28.340 5.057 27.134 1.00 22.24 C ATOM 1164 CD ARG A 838 29.002 4.030 28.059 1.00 23.01 C ATOM 1165 NE ARG A 838 28.281 2.732 27.933 1.00 23.37 N ATOM 1166 CZ ARG A 838 28.741 1.557 28.426 1.00 28.66 C ATOM 1167 NH1 ARG A 838 29.946 1.504 28.995 1.00 25.79 N ATOM 1168 NH2 ARG A 838 27.992 0.431 28.284 1.00 26.85 N ATOM 0 H ARG A 838 29.663 6.693 24.994 1.00 17.69 H new ATOM 0 HA ARG A 838 27.357 7.201 26.082 1.00 20.32 H new ATOM 0 HB2 ARG A 838 29.832 6.514 27.340 1.00 21.01 H new ATOM 0 HB3 ARG A 838 28.588 6.827 28.227 1.00 21.01 H new ATOM 0 HG2 ARG A 838 27.380 5.040 27.275 1.00 22.24 H new ATOM 0 HG3 ARG A 838 28.495 4.801 26.211 1.00 22.24 H new ATOM 0 HD2 ARG A 838 29.936 3.919 27.823 1.00 23.01 H new ATOM 0 HD3 ARG A 838 28.976 4.340 28.978 1.00 23.01 H new ATOM 0 HE ARG A 838 27.526 2.729 27.522 1.00 23.37 H new ATOM 0 HH11 ARG A 838 30.428 2.214 29.048 1.00 25.79 H new ATOM 0 HH12 ARG A 838 30.241 0.760 29.309 1.00 25.79 H new ATOM 0 HH21 ARG A 838 27.232 0.468 27.883 1.00 26.85 H new ATOM 0 HH22 ARG A 838 28.278 -0.318 28.595 1.00 26.85 H new ATOM 1169 N LEU A 839 29.442 9.543 26.280 1.00 19.81 N ATOM 1170 CA LEU A 839 29.696 10.944 26.631 1.00 22.19 C ATOM 1171 C LEU A 839 28.652 11.868 25.988 1.00 21.49 C ATOM 1172 O LEU A 839 28.184 12.839 26.622 1.00 19.46 O ATOM 1173 CB LEU A 839 31.127 11.348 26.183 1.00 24.47 C ATOM 1174 CG LEU A 839 31.602 12.787 26.519 1.00 25.91 C ATOM 1175 CD1 LEU A 839 31.640 12.973 28.020 1.00 27.32 C ATOM 1176 CD2 LEU A 839 32.924 13.110 25.877 1.00 28.83 C ATOM 0 H LEU A 839 30.056 9.192 25.790 1.00 19.81 H new ATOM 0 HA LEU A 839 29.627 11.039 27.594 1.00 22.19 H new ATOM 0 HB2 LEU A 839 31.753 10.725 26.583 1.00 24.47 H new ATOM 0 HB3 LEU A 839 31.184 11.230 25.222 1.00 24.47 H new ATOM 0 HG LEU A 839 30.964 13.416 26.147 1.00 25.91 H new ATOM 0 HD11 LEU A 839 31.937 13.873 28.227 1.00 27.32 H new ATOM 0 HD12 LEU A 839 30.753 12.833 28.386 1.00 27.32 H new ATOM 0 HD13 LEU A 839 32.255 12.332 28.410 1.00 27.32 H new ATOM 0 HD21 LEU A 839 33.185 14.015 26.110 1.00 28.83 H new ATOM 0 HD22 LEU A 839 33.598 12.488 26.193 1.00 28.83 H new ATOM 0 HD23 LEU A 839 32.843 13.036 24.913 1.00 28.83 H new ATOM 1177 N ILE A 840 28.266 11.538 24.773 1.00 19.58 N ATOM 1178 CA ILE A 840 27.181 12.269 24.090 1.00 22.20 C ATOM 1179 C ILE A 840 25.956 12.355 24.996 1.00 21.57 C ATOM 1180 O ILE A 840 25.361 13.417 25.201 1.00 20.68 O ATOM 1181 CB ILE A 840 26.782 11.606 22.736 1.00 20.56 C ATOM 1182 CG1 ILE A 840 27.951 11.683 21.773 1.00 19.89 C ATOM 1183 CG2 ILE A 840 25.483 12.213 22.207 1.00 19.25 C ATOM 1184 CD1 ILE A 840 27.760 10.914 20.483 1.00 21.80 C ATOM 0 H ILE A 840 28.610 10.897 24.315 1.00 19.58 H new ATOM 0 HA ILE A 840 27.514 13.159 23.896 1.00 22.20 H new ATOM 0 HB ILE A 840 26.591 10.663 22.858 1.00 20.56 H new ATOM 0 HG12 ILE A 840 28.117 12.614 21.558 1.00 19.89 H new ATOM 0 HG13 ILE A 840 28.745 11.349 22.220 1.00 19.89 H new ATOM 0 HG21 ILE A 840 25.248 11.791 21.366 1.00 19.25 H new ATOM 0 HG22 ILE A 840 24.772 12.068 22.851 1.00 19.25 H new ATOM 0 HG23 ILE A 840 25.604 13.165 22.068 1.00 19.25 H new ATOM 0 HD11 ILE A 840 28.548 11.014 19.926 1.00 21.80 H new ATOM 0 HD12 ILE A 840 27.624 9.975 20.683 1.00 21.80 H new ATOM 0 HD13 ILE A 840 26.986 11.259 20.012 1.00 21.80 H new ATOM 1185 N PHE A 841 25.517 11.224 25.527 1.00 20.67 N ATOM 1186 CA PHE A 841 24.279 11.232 26.306 1.00 20.88 C ATOM 1187 C PHE A 841 24.473 11.800 27.701 1.00 20.59 C ATOM 1188 O PHE A 841 23.570 12.415 28.243 1.00 23.55 O ATOM 1189 CB PHE A 841 23.653 9.827 26.277 1.00 23.26 C ATOM 1190 CG PHE A 841 23.585 9.265 24.911 1.00 23.15 C ATOM 1191 CD1 PHE A 841 22.864 9.921 23.912 1.00 24.34 C ATOM 1192 CD2 PHE A 841 24.334 8.166 24.582 1.00 22.91 C ATOM 1193 CE1 PHE A 841 22.812 9.412 22.624 1.00 27.76 C ATOM 1194 CE2 PHE A 841 24.269 7.639 23.301 1.00 23.62 C ATOM 1195 CZ PHE A 841 23.548 8.282 22.307 1.00 24.89 C ATOM 0 H PHE A 841 25.904 10.460 25.454 1.00 20.67 H new ATOM 0 HA PHE A 841 23.645 11.841 25.896 1.00 20.88 H new ATOM 0 HB2 PHE A 841 24.172 9.233 26.842 1.00 23.26 H new ATOM 0 HB3 PHE A 841 22.759 9.867 26.652 1.00 23.26 H new ATOM 0 HD1 PHE A 841 22.413 10.709 24.113 1.00 24.34 H new ATOM 0 HD2 PHE A 841 24.887 7.773 25.218 1.00 22.91 H new ATOM 0 HE1 PHE A 841 22.287 9.826 21.977 1.00 27.76 H new ATOM 0 HE2 PHE A 841 24.714 6.846 23.107 1.00 23.62 H new ATOM 0 HZ PHE A 841 23.558 7.958 21.435 1.00 24.89 H new ATOM 1196 N HIS A 842 25.621 11.568 28.286 1.00 20.44 N ATOM 1197 CA HIS A 842 25.932 12.074 29.608 1.00 24.79 C ATOM 1198 C HIS A 842 26.001 13.636 29.586 1.00 24.14 C ATOM 1199 O HIS A 842 25.454 14.307 30.488 1.00 22.14 O ATOM 1200 CB HIS A 842 27.272 11.563 30.100 1.00 28.63 C ATOM 1201 CG HIS A 842 27.511 11.874 31.534 1.00 35.56 C ATOM 1202 ND1 HIS A 842 28.385 12.848 31.956 1.00 45.11 N ATOM 1203 CD2 HIS A 842 26.931 11.380 32.655 1.00 45.90 C ATOM 1204 CE1 HIS A 842 28.382 12.903 33.278 1.00 41.35 C ATOM 1205 NE2 HIS A 842 27.498 12.032 33.725 1.00 45.19 N ATOM 0 H HIS A 842 26.253 11.108 27.928 1.00 20.44 H new ATOM 0 HA HIS A 842 25.229 11.766 30.201 1.00 24.79 H new ATOM 0 HB2 HIS A 842 27.316 10.603 29.969 1.00 28.63 H new ATOM 0 HB3 HIS A 842 27.980 11.955 29.565 1.00 28.63 H new ATOM 0 HD1 HIS A 842 28.861 13.345 31.440 1.00 45.11 H new ATOM 0 HD2 HIS A 842 26.273 10.724 32.693 1.00 45.90 H new ATOM 0 HE1 HIS A 842 28.912 13.460 33.802 1.00 41.35 H new ATOM 1206 N ASN A 843 26.612 14.182 28.556 1.00 20.35 N ATOM 1207 CA ASN A 843 26.695 15.650 28.418 1.00 21.21 C ATOM 1208 C ASN A 843 25.273 16.232 28.311 1.00 21.89 C ATOM 1209 O ASN A 843 24.923 17.265 28.935 1.00 22.87 O ATOM 1210 CB ASN A 843 27.493 16.045 27.210 1.00 19.96 C ATOM 1211 CG ASN A 843 28.966 15.905 27.388 1.00 20.66 C ATOM 1212 OD1 ASN A 843 29.500 15.732 28.483 1.00 22.21 O ATOM 1213 ND2 ASN A 843 29.639 16.057 26.314 1.00 20.22 N ATOM 0 H ASN A 843 26.987 13.738 27.922 1.00 20.35 H new ATOM 0 HA ASN A 843 27.144 16.004 29.201 1.00 21.21 H new ATOM 0 HB2 ASN A 843 27.214 15.501 26.457 1.00 19.96 H new ATOM 0 HB3 ASN A 843 27.289 16.966 26.986 1.00 19.96 H new ATOM 0 HD21 ASN A 843 30.498 16.040 26.339 1.00 20.22 H new ATOM 0 HD22 ASN A 843 29.233 16.176 25.565 1.00 20.22 H new ATOM 1214 N HIS A 844 24.417 15.594 27.545 1.00 21.99 N ATOM 1215 CA HIS A 844 23.035 16.009 27.360 1.00 24.36 C ATOM 1216 C HIS A 844 22.232 16.001 28.692 1.00 25.09 C ATOM 1217 O HIS A 844 21.624 17.002 29.028 1.00 25.90 O ATOM 1218 CB HIS A 844 22.361 15.156 26.312 1.00 23.25 C ATOM 1219 CG HIS A 844 20.911 15.489 26.047 1.00 24.74 C ATOM 1220 ND1 HIS A 844 20.518 16.295 24.995 1.00 26.77 N ATOM 1221 CD2 HIS A 844 19.762 15.098 26.669 1.00 21.87 C ATOM 1222 CE1 HIS A 844 19.187 16.351 24.959 1.00 26.36 C ATOM 1223 NE2 HIS A 844 18.712 15.682 25.994 1.00 24.36 N ATOM 0 H HIS A 844 24.624 14.886 27.103 1.00 21.99 H new ATOM 0 HA HIS A 844 23.049 16.928 27.049 1.00 24.36 H new ATOM 0 HB2 HIS A 844 22.854 15.240 25.481 1.00 23.25 H new ATOM 0 HB3 HIS A 844 22.420 14.227 26.585 1.00 23.25 H new ATOM 0 HD2 HIS A 844 19.699 14.541 27.411 1.00 21.87 H new ATOM 0 HE1 HIS A 844 18.679 16.787 24.314 1.00 26.36 H new ATOM 0 HE2 HIS A 844 17.882 15.621 26.211 1.00 24.36 H new ATOM 1224 N LYS A 845 22.334 14.934 29.462 1.00 26.10 N ATOM 1225 CA ALYS A 845 21.678 14.822 30.793 0.50 28.73 C ATOM 1226 CA BLYS A 845 21.654 14.840 30.750 0.50 29.62 C ATOM 1227 C LYS A 845 22.126 15.903 31.730 1.00 29.29 C ATOM 1228 O LYS A 845 21.319 16.572 32.365 1.00 31.87 O ATOM 1229 CB ALYS A 845 22.025 13.515 31.486 0.50 30.00 C ATOM 1230 CB BLYS A 845 21.904 13.481 31.345 0.50 31.48 C ATOM 1231 CG ALYS A 845 21.373 12.326 30.844 0.50 35.86 C ATOM 1232 CG BLYS A 845 21.272 13.276 32.695 0.50 39.07 C ATOM 1233 CD ALYS A 845 21.966 10.976 31.211 0.50 42.58 C ATOM 1234 CD BLYS A 845 22.335 13.106 33.723 0.50 42.48 C ATOM 1235 CE ALYS A 845 20.964 10.168 31.996 0.50 45.90 C ATOM 1236 CE BLYS A 845 22.350 11.660 34.146 0.50 44.60 C ATOM 1237 NZ ALYS A 845 21.313 8.719 31.925 0.50 47.44 N ATOM 1238 NZ BLYS A 845 21.261 11.500 35.137 0.50 44.42 N ATOM 0 H ALYS A 845 22.787 14.237 29.241 0.50 26.10 H new ATOM 0 H BLYS A 845 22.799 14.240 29.257 0.50 26.10 H new ATOM 0 HA ALYS A 845 20.728 14.885 30.610 0.50 29.62 H new ATOM 0 HA BLYS A 845 20.707 14.981 30.592 0.50 29.62 H new ATOM 0 HB2ALYS A 845 22.987 13.395 31.477 0.50 31.48 H new ATOM 0 HB2BLYS A 845 21.569 12.805 30.736 0.50 31.48 H new ATOM 0 HB3ALYS A 845 21.754 13.565 32.416 0.50 31.48 H new ATOM 0 HB3BLYS A 845 22.861 13.343 31.422 0.50 31.48 H new ATOM 0 HG2ALYS A 845 20.433 12.324 31.083 0.50 39.07 H new ATOM 0 HG2BLYS A 845 20.711 14.035 32.919 0.50 39.07 H new ATOM 0 HG3ALYS A 845 21.421 12.432 29.881 0.50 39.07 H new ATOM 0 HG3BLYS A 845 20.698 12.495 32.678 0.50 39.07 H new ATOM 0 HD2ALYS A 845 22.220 10.497 30.407 0.50 42.48 H new ATOM 0 HD2BLYS A 845 23.198 13.363 33.363 0.50 42.48 H new ATOM 0 HD3ALYS A 845 22.773 11.100 31.734 0.50 42.48 H new ATOM 0 HD3BLYS A 845 22.164 13.680 34.486 0.50 42.48 H new ATOM 0 HE2ALYS A 845 20.953 10.461 32.921 0.50 44.60 H new ATOM 0 HE2BLYS A 845 22.212 11.076 33.384 0.50 44.60 H new ATOM 0 HE3ALYS A 845 20.072 10.312 31.642 0.50 44.60 H new ATOM 0 HE3BLYS A 845 23.207 11.423 34.534 0.50 44.60 H new ATOM 0 HZ1ALYS A 845 20.719 8.247 32.390 0.50 44.42 H new ATOM 0 HZ1BLYS A 845 21.298 10.684 35.490 0.50 44.42 H new ATOM 0 HZ2ALYS A 845 21.304 8.453 31.076 0.50 44.42 H new ATOM 0 HZ2BLYS A 845 21.355 12.106 35.782 0.50 44.42 H new ATOM 0 HZ3ALYS A 845 22.125 8.592 32.267 0.50 44.42 H new ATOM 0 HZ3BLYS A 845 20.475 11.614 34.736 0.50 44.42 H new ATOM 1239 N GLU A 846 23.420 16.066 31.837 1.00 27.99 N ATOM 1240 CA GLU A 846 23.949 17.111 32.686 1.00 34.54 C ATOM 1241 C GLU A 846 23.522 18.532 32.299 1.00 32.49 C ATOM 1242 O GLU A 846 23.235 19.364 33.181 1.00 36.59 O ATOM 1243 CB GLU A 846 25.475 16.998 32.788 1.00 38.68 C ATOM 1244 CG GLU A 846 25.951 15.692 33.467 1.00 45.31 C ATOM 1245 CD GLU A 846 25.394 15.544 34.899 1.00 57.48 C ATOM 1246 OE1 GLU A 846 25.904 16.281 35.777 1.00 59.24 O ATOM 1247 OE2 GLU A 846 24.433 14.743 35.126 1.00 54.58 O ATOM 0 H GLU A 846 24.010 15.589 31.432 1.00 27.99 H new ATOM 0 HA GLU A 846 23.553 16.963 33.559 1.00 34.54 H new ATOM 0 HB2 GLU A 846 25.857 17.049 31.898 1.00 38.68 H new ATOM 0 HB3 GLU A 846 25.816 17.757 33.287 1.00 38.68 H new ATOM 0 HG2 GLU A 846 25.673 14.932 32.933 1.00 45.31 H new ATOM 0 HG3 GLU A 846 26.920 15.679 33.496 1.00 45.31 H new ATOM 1248 N PHE A 847 23.468 18.832 31.017 1.00 28.14 N ATOM 1249 CA PHE A 847 23.215 20.226 30.606 1.00 30.37 C ATOM 1250 C PHE A 847 21.716 20.588 30.777 1.00 29.94 C ATOM 1251 O PHE A 847 21.351 21.680 31.256 1.00 31.03 O ATOM 1252 CB PHE A 847 23.627 20.430 29.189 1.00 26.87 C ATOM 1253 CG PHE A 847 23.412 21.826 28.701 1.00 24.94 C ATOM 1254 CD1 PHE A 847 24.240 22.827 29.142 1.00 28.50 C ATOM 1255 CD2 PHE A 847 22.397 22.126 27.825 1.00 25.30 C ATOM 1256 CE1 PHE A 847 24.086 24.172 28.673 1.00 27.26 C ATOM 1257 CE2 PHE A 847 22.213 23.447 27.351 1.00 29.34 C ATOM 1258 CZ PHE A 847 23.070 24.459 27.766 1.00 27.56 C ATOM 0 H PHE A 847 23.570 18.270 30.374 1.00 28.14 H new ATOM 0 HA PHE A 847 23.740 20.809 31.176 1.00 30.37 H new ATOM 0 HB2 PHE A 847 24.566 20.204 29.097 1.00 26.87 H new ATOM 0 HB3 PHE A 847 23.131 19.817 28.624 1.00 26.87 H new ATOM 0 HD1 PHE A 847 24.911 22.630 29.755 1.00 28.50 H new ATOM 0 HD2 PHE A 847 21.823 21.452 27.540 1.00 25.30 H new ATOM 0 HE1 PHE A 847 24.657 24.844 28.970 1.00 27.26 H new ATOM 0 HE2 PHE A 847 21.519 23.638 26.762 1.00 29.34 H new ATOM 0 HZ PHE A 847 22.965 25.323 27.439 1.00 27.56 H new ATOM 1259 N TYR A 848 20.853 19.687 30.342 1.00 25.32 N ATOM 1260 CA TYR A 848 19.439 19.954 30.356 1.00 27.57 C ATOM 1261 C TYR A 848 18.777 19.681 31.702 1.00 36.63 C ATOM 1262 O TYR A 848 17.640 20.101 31.882 1.00 46.52 O ATOM 1263 CB TYR A 848 18.719 19.256 29.209 1.00 27.17 C ATOM 1264 CG TYR A 848 19.041 19.924 27.881 1.00 27.02 C ATOM 1265 CD1 TYR A 848 18.523 21.145 27.548 1.00 24.33 C ATOM 1266 CD2 TYR A 848 19.906 19.353 27.003 1.00 23.12 C ATOM 1267 CE1 TYR A 848 18.833 21.734 26.362 1.00 24.56 C ATOM 1268 CE2 TYR A 848 20.181 19.896 25.810 1.00 24.80 C ATOM 1269 CZ TYR A 848 19.667 21.122 25.500 1.00 27.06 C ATOM 1270 OH TYR A 848 19.999 21.687 24.284 1.00 32.68 O ATOM 0 H TYR A 848 21.071 18.914 30.035 1.00 25.32 H new ATOM 0 HA TYR A 848 19.351 20.910 30.216 1.00 27.57 H new ATOM 0 HB2 TYR A 848 18.981 18.323 29.178 1.00 27.17 H new ATOM 0 HB3 TYR A 848 17.761 19.277 29.362 1.00 27.17 H new ATOM 0 HD1 TYR A 848 17.951 21.578 28.140 1.00 24.33 H new ATOM 0 HD2 TYR A 848 20.323 18.556 27.239 1.00 23.12 H new ATOM 0 HE1 TYR A 848 18.468 22.562 26.146 1.00 24.56 H new ATOM 0 HE2 TYR A 848 20.716 19.443 25.199 1.00 24.80 H new ATOM 0 HH TYR A 848 19.976 22.524 24.348 1.00 32.68 H new ATOM 1271 N ARG A 849 19.483 19.104 32.670 1.00 35.43 N ATOM 1272 CA ARG A 849 19.035 19.118 34.092 1.00 52.22 C ATOM 1273 C ARG A 849 17.581 18.649 34.221 1.00 49.31 C ATOM 1274 O ARG A 849 17.295 17.513 33.927 1.00 50.08 O ATOM 1275 CB ARG A 849 19.139 20.524 34.705 1.00 60.30 C ATOM 1276 CG ARG A 849 20.477 21.188 34.681 1.00 72.59 C ATOM 1277 CD ARG A 849 21.409 20.625 35.707 1.00 77.06 C ATOM 1278 NE ARG A 849 22.537 21.555 35.843 1.00 84.71 N ATOM 1279 CZ ARG A 849 22.695 22.452 36.812 1.00 81.48 C ATOM 1280 NH1 ARG A 849 21.811 22.574 37.796 1.00 81.15 N ATOM 1281 NH2 ARG A 849 23.775 23.228 36.806 1.00 86.11 N ATOM 0 H ARG A 849 20.228 18.695 32.539 1.00 35.43 H new ATOM 0 HA ARG A 849 19.623 18.511 34.569 1.00 52.22 H new ATOM 0 HB2 ARG A 849 18.510 21.100 34.242 1.00 60.30 H new ATOM 0 HB3 ARG A 849 18.848 20.470 35.629 1.00 60.30 H new ATOM 0 HG2 ARG A 849 20.870 21.087 33.800 1.00 72.59 H new ATOM 0 HG3 ARG A 849 20.366 22.139 34.835 1.00 72.59 H new ATOM 0 HD2 ARG A 849 20.954 20.515 36.557 1.00 77.06 H new ATOM 0 HD3 ARG A 849 21.722 19.747 35.437 1.00 77.06 H new ATOM 0 HE ARG A 849 23.151 21.516 35.242 1.00 84.71 H new ATOM 0 HH11 ARG A 849 21.117 22.066 37.816 1.00 81.15 H new ATOM 0 HH12 ARG A 849 21.932 23.161 38.413 1.00 81.15 H new ATOM 0 HH21 ARG A 849 24.360 23.146 36.181 1.00 86.11 H new ATOM 0 HH22 ARG A 849 23.888 23.812 37.427 1.00 86.11 H new ATOM 1282 N GLU A 850 16.656 19.538 34.582 1.00 46.69 N ATOM 1283 CA GLU A 850 15.320 19.102 34.889 1.00 51.40 C ATOM 1284 C GLU A 850 14.379 19.353 33.734 1.00 41.57 C ATOM 1285 O GLU A 850 13.221 18.984 33.845 1.00 46.40 O ATOM 1286 CB GLU A 850 14.778 19.783 36.172 1.00 59.93 C ATOM 1287 CG GLU A 850 15.680 19.726 37.417 1.00 69.53 C ATOM 1288 CD GLU A 850 16.032 18.314 37.866 1.00 74.87 C ATOM 1289 OE1 GLU A 850 15.150 17.654 38.446 1.00 85.52 O ATOM 1290 OE2 GLU A 850 17.197 17.870 37.672 1.00 87.99 O ATOM 0 H GLU A 850 16.790 20.385 34.651 1.00 46.69 H new ATOM 0 HA GLU A 850 15.366 18.146 35.047 1.00 51.40 H new ATOM 0 HB2 GLU A 850 14.601 20.715 35.969 1.00 59.93 H new ATOM 0 HB3 GLU A 850 13.927 19.375 36.395 1.00 59.93 H new ATOM 0 HG2 GLU A 850 16.500 20.210 37.233 1.00 69.53 H new ATOM 0 HG3 GLU A 850 15.237 20.186 38.147 1.00 69.53 H new ATOM 1291 N ASP A 851 14.817 19.999 32.652 1.00 31.97 N ATOM 1292 CA ASP A 851 13.982 20.145 31.499 1.00 32.75 C ATOM 1293 C ASP A 851 13.653 18.763 31.008 1.00 33.88 C ATOM 1294 O ASP A 851 14.505 17.864 31.012 1.00 28.78 O ATOM 1295 CB ASP A 851 14.698 20.928 30.383 1.00 36.92 C ATOM 1296 CG ASP A 851 13.765 21.433 29.268 1.00 39.00 C ATOM 1297 OD1 ASP A 851 13.067 20.655 28.541 1.00 33.67 O ATOM 1298 OD2 ASP A 851 13.853 22.656 29.003 1.00 40.59 O ATOM 0 H ASP A 851 15.597 20.354 32.581 1.00 31.97 H new ATOM 0 HA ASP A 851 13.182 20.640 31.736 1.00 32.75 H new ATOM 0 HB2 ASP A 851 15.155 21.687 30.777 1.00 36.92 H new ATOM 0 HB3 ASP A 851 15.379 20.360 29.989 1.00 36.92 H new ATOM 1299 N LYS A 852 12.428 18.611 30.539 1.00 26.57 N ATOM 1300 CA LYS A 852 11.970 17.350 30.081 1.00 29.70 C ATOM 1301 C LYS A 852 12.723 16.916 28.794 1.00 26.01 C ATOM 1302 O LYS A 852 12.693 15.743 28.423 1.00 25.78 O ATOM 1303 CB LYS A 852 10.475 17.390 29.841 1.00 33.66 C ATOM 1304 CG LYS A 852 10.049 18.244 28.668 1.00 39.08 C ATOM 1305 CD LYS A 852 8.558 18.544 28.669 1.00 45.56 C ATOM 1306 CE LYS A 852 8.261 19.637 27.618 1.00 45.56 C ATOM 1307 NZ LYS A 852 6.841 19.833 27.264 1.00 41.66 N ATOM 0 H LYS A 852 11.849 19.245 30.483 1.00 26.57 H new ATOM 0 HA LYS A 852 12.155 16.691 30.768 1.00 29.70 H new ATOM 0 HB2 LYS A 852 10.158 16.484 29.699 1.00 33.66 H new ATOM 0 HB3 LYS A 852 10.039 17.721 30.642 1.00 33.66 H new ATOM 0 HG2 LYS A 852 10.543 19.079 28.685 1.00 39.08 H new ATOM 0 HG3 LYS A 852 10.283 17.792 27.842 1.00 39.08 H new ATOM 0 HD2 LYS A 852 8.055 17.740 28.467 1.00 45.56 H new ATOM 0 HD3 LYS A 852 8.277 18.841 29.549 1.00 45.56 H new ATOM 0 HE2 LYS A 852 8.612 20.479 27.947 1.00 45.56 H new ATOM 0 HE3 LYS A 852 8.750 19.422 26.808 1.00 45.56 H new ATOM 0 HZ1 LYS A 852 6.785 20.235 26.472 1.00 41.66 H new ATOM 0 HZ2 LYS A 852 6.433 19.043 27.225 1.00 41.66 H new ATOM 0 HZ3 LYS A 852 6.448 20.339 27.882 1.00 41.66 H new ATOM 1308 N PHE A 853 13.416 17.847 28.160 1.00 24.52 N ATOM 1309 CA PHE A 853 14.267 17.521 27.004 1.00 26.64 C ATOM 1310 C PHE A 853 15.403 16.515 27.363 1.00 23.42 C ATOM 1311 O PHE A 853 15.877 15.818 26.478 1.00 21.35 O ATOM 1312 CB PHE A 853 14.781 18.780 26.391 1.00 25.04 C ATOM 1313 CG PHE A 853 15.433 18.626 25.036 1.00 24.82 C ATOM 1314 CD1 PHE A 853 14.747 18.116 23.961 1.00 26.82 C ATOM 1315 CD2 PHE A 853 16.711 19.072 24.828 1.00 24.28 C ATOM 1316 CE1 PHE A 853 15.355 18.030 22.713 1.00 26.83 C ATOM 1317 CE2 PHE A 853 17.321 19.026 23.572 1.00 26.05 C ATOM 1318 CZ PHE A 853 16.641 18.495 22.514 1.00 25.39 C ATOM 0 H PHE A 853 13.414 18.679 28.377 1.00 24.52 H new ATOM 0 HA PHE A 853 13.726 17.061 26.343 1.00 26.64 H new ATOM 0 HB2 PHE A 853 14.044 19.405 26.309 1.00 25.04 H new ATOM 0 HB3 PHE A 853 15.424 19.178 26.999 1.00 25.04 H new ATOM 0 HD1 PHE A 853 13.870 17.826 24.068 1.00 26.82 H new ATOM 0 HD2 PHE A 853 17.189 19.417 25.547 1.00 24.28 H new ATOM 0 HE1 PHE A 853 14.889 17.654 22.002 1.00 26.83 H new ATOM 0 HE2 PHE A 853 18.183 19.355 23.458 1.00 26.05 H new ATOM 0 HZ PHE A 853 17.036 18.447 21.674 1.00 25.39 H new ATOM 1319 N THR A 854 15.764 16.427 28.625 1.00 23.64 N ATOM 1320 CA ATHR A 854 16.682 15.400 29.154 0.37 24.78 C ATOM 1321 CA BTHR A 854 16.707 15.389 29.067 0.63 24.86 C ATOM 1322 C THR A 854 16.291 13.995 28.675 1.00 25.43 C ATOM 1323 O THR A 854 17.156 13.142 28.418 1.00 25.43 O ATOM 1324 CB ATHR A 854 16.738 15.449 30.717 0.37 26.55 C ATOM 1325 CB BTHR A 854 16.930 15.353 30.584 0.63 27.43 C ATOM 1326 OG1ATHR A 854 17.857 14.699 31.212 0.37 27.35 O ATOM 1327 OG1BTHR A 854 15.704 15.021 31.282 0.63 31.05 O ATOM 1328 CG2ATHR A 854 15.458 14.844 31.374 0.37 26.23 C ATOM 1329 CG2BTHR A 854 17.540 16.592 31.064 0.63 24.99 C ATOM 0 H ATHR A 854 15.482 16.972 29.227 0.37 23.64 H new ATOM 0 H BTHR A 854 15.484 16.949 29.248 0.63 23.64 H new ATOM 0 HA ATHR A 854 17.567 15.598 28.809 0.37 24.86 H new ATOM 0 HA BTHR A 854 17.525 15.646 28.613 0.63 24.86 H new ATOM 0 HB ATHR A 854 16.814 16.388 30.949 0.37 27.43 H new ATOM 0 HB BTHR A 854 17.563 14.645 30.782 0.63 27.43 H new ATOM 0 HG1ATHR A 854 17.871 14.738 32.051 0.37 31.05 H new ATOM 0 HG1BTHR A 854 15.205 15.696 31.308 0.63 31.05 H new ATOM 0 HG21ATHR A 854 15.535 14.895 32.340 0.37 24.99 H new ATOM 0 HG21BTHR A 854 17.668 16.539 32.024 0.63 24.99 H new ATOM 0 HG22ATHR A 854 14.679 15.344 31.085 0.37 24.99 H new ATOM 0 HG22BTHR A 854 18.398 16.720 30.630 0.63 24.99 H new ATOM 0 HG23ATHR A 854 15.364 13.917 31.106 0.37 24.99 H new ATOM 0 HG23BTHR A 854 16.959 17.341 30.857 0.63 24.99 H new ATOM 1330 N ARG A 855 14.989 13.736 28.588 1.00 23.52 N ATOM 1331 CA ARG A 855 14.524 12.435 28.212 1.00 26.82 C ATOM 1332 C ARG A 855 14.971 11.949 26.789 1.00 25.04 C ATOM 1333 O ARG A 855 15.140 10.734 26.545 1.00 25.88 O ATOM 1334 CB ARG A 855 12.996 12.406 28.358 1.00 33.74 C ATOM 1335 CG ARG A 855 12.328 11.083 28.007 1.00 47.90 C ATOM 1336 CD ARG A 855 10.903 10.991 28.580 1.00 59.47 C ATOM 1337 NE ARG A 855 10.146 9.802 28.121 1.00 62.78 N ATOM 1338 CZ ARG A 855 9.276 9.758 27.095 1.00 70.33 C ATOM 1339 NH1 ARG A 855 9.018 10.828 26.325 1.00 67.20 N ATOM 1340 NH2 ARG A 855 8.660 8.606 26.810 1.00 67.11 N ATOM 0 H ARG A 855 14.368 14.310 28.746 1.00 23.52 H new ATOM 0 HA ARG A 855 14.946 11.801 28.813 1.00 26.82 H new ATOM 0 HB2 ARG A 855 12.770 12.631 29.274 1.00 33.74 H new ATOM 0 HB3 ARG A 855 12.620 13.100 27.794 1.00 33.74 H new ATOM 0 HG2 ARG A 855 12.296 10.983 27.043 1.00 47.90 H new ATOM 0 HG3 ARG A 855 12.862 10.350 28.350 1.00 47.90 H new ATOM 0 HD2 ARG A 855 10.954 10.977 29.549 1.00 59.47 H new ATOM 0 HD3 ARG A 855 10.413 11.791 28.333 1.00 59.47 H new ATOM 0 HE ARG A 855 10.275 9.069 28.552 1.00 62.78 H new ATOM 0 HH11 ARG A 855 9.415 11.575 26.480 1.00 67.20 H new ATOM 0 HH12 ARG A 855 8.456 10.766 25.677 1.00 67.20 H new ATOM 0 HH21 ARG A 855 8.822 7.904 27.280 1.00 67.11 H new ATOM 0 HH22 ARG A 855 8.102 8.567 26.157 1.00 67.11 H new ATOM 1341 N LEU A 856 15.211 12.879 25.880 1.00 22.40 N ATOM 1342 CA LEU A 856 15.721 12.463 24.568 1.00 23.09 C ATOM 1343 C LEU A 856 17.079 11.764 24.740 1.00 21.27 C ATOM 1344 O LEU A 856 17.360 10.854 24.007 1.00 22.56 O ATOM 1345 CB LEU A 856 15.880 13.616 23.568 1.00 24.62 C ATOM 1346 CG LEU A 856 14.681 14.067 22.720 1.00 28.65 C ATOM 1347 CD1 LEU A 856 14.146 13.045 21.721 1.00 32.93 C ATOM 1348 CD2 LEU A 856 13.534 14.439 23.624 1.00 31.16 C ATOM 0 H LEU A 856 15.094 13.724 25.987 1.00 22.40 H new ATOM 0 HA LEU A 856 15.056 11.860 24.200 1.00 23.09 H new ATOM 0 HB2 LEU A 856 16.189 14.389 24.066 1.00 24.62 H new ATOM 0 HB3 LEU A 856 16.591 13.371 22.955 1.00 24.62 H new ATOM 0 HG LEU A 856 15.025 14.812 22.203 1.00 28.65 H new ATOM 0 HD11 LEU A 856 13.395 13.425 21.239 1.00 32.93 H new ATOM 0 HD12 LEU A 856 14.846 12.809 21.093 1.00 32.93 H new ATOM 0 HD13 LEU A 856 13.856 12.250 22.195 1.00 32.93 H new ATOM 0 HD21 LEU A 856 12.778 14.724 23.087 1.00 31.16 H new ATOM 0 HD22 LEU A 856 13.280 13.670 24.158 1.00 31.16 H new ATOM 0 HD23 LEU A 856 13.805 15.163 24.210 1.00 31.16 H new ATOM 1349 N GLY A 857 17.918 12.195 25.676 1.00 23.27 N ATOM 1350 CA GLY A 857 19.194 11.557 25.915 1.00 23.64 C ATOM 1351 C GLY A 857 19.002 10.137 26.451 1.00 24.19 C ATOM 1352 O GLY A 857 19.715 9.183 26.057 1.00 23.07 O ATOM 0 H GLY A 857 17.758 12.867 26.188 1.00 23.27 H new ATOM 0 HA2 GLY A 857 19.705 11.529 25.091 1.00 23.64 H new ATOM 0 HA3 GLY A 857 19.707 12.080 26.550 1.00 23.64 H new ATOM 1353 N ILE A 858 18.053 9.996 27.355 1.00 24.82 N ATOM 1354 CA ILE A 858 17.704 8.670 27.908 1.00 25.31 C ATOM 1355 C ILE A 858 17.220 7.699 26.858 1.00 25.56 C ATOM 1356 O ILE A 858 17.689 6.564 26.797 1.00 22.72 O ATOM 1357 CB ILE A 858 16.672 8.748 29.054 1.00 27.58 C ATOM 1358 CG1 ILE A 858 17.364 9.397 30.240 1.00 33.38 C ATOM 1359 CG2 ILE A 858 16.169 7.346 29.407 1.00 28.27 C ATOM 1360 CD1 ILE A 858 16.413 9.901 31.289 1.00 38.53 C ATOM 0 H ILE A 858 17.590 10.647 27.672 1.00 24.82 H new ATOM 0 HA ILE A 858 18.538 8.333 28.271 1.00 25.31 H new ATOM 0 HB ILE A 858 15.899 9.272 28.792 1.00 27.58 H new ATOM 0 HG12 ILE A 858 17.968 8.754 30.644 1.00 33.38 H new ATOM 0 HG13 ILE A 858 17.906 10.136 29.924 1.00 33.38 H new ATOM 0 HG21 ILE A 858 15.522 7.406 30.127 1.00 28.27 H new ATOM 0 HG22 ILE A 858 15.750 6.947 28.629 1.00 28.27 H new ATOM 0 HG23 ILE A 858 16.916 6.795 29.689 1.00 28.27 H new ATOM 0 HD11 ILE A 858 16.915 10.302 32.016 1.00 38.53 H new ATOM 0 HD12 ILE A 858 15.823 10.565 30.899 1.00 38.53 H new ATOM 0 HD13 ILE A 858 15.886 9.162 31.630 1.00 38.53 H new ATOM 1361 N GLN A 859 16.379 8.181 25.970 1.00 21.21 N ATOM 1362 CA GLN A 859 15.823 7.369 24.935 1.00 26.20 C ATOM 1363 C GLN A 859 16.826 6.914 23.912 1.00 24.34 C ATOM 1364 O GLN A 859 16.872 5.715 23.537 1.00 22.87 O ATOM 1365 CB GLN A 859 14.706 8.142 24.226 1.00 29.01 C ATOM 1366 CG GLN A 859 13.502 8.321 25.115 1.00 33.57 C ATOM 1367 CD GLN A 859 12.452 9.225 24.513 1.00 37.70 C ATOM 1368 OE1 GLN A 859 12.751 10.219 23.815 1.00 35.49 O ATOM 1369 NE2 GLN A 859 11.215 8.874 24.756 1.00 43.00 N ATOM 0 H GLN A 859 16.116 9.000 25.956 1.00 21.21 H new ATOM 0 HA GLN A 859 15.483 6.571 25.369 1.00 26.20 H new ATOM 0 HB2 GLN A 859 15.038 9.011 23.951 1.00 29.01 H new ATOM 0 HB3 GLN A 859 14.446 7.669 23.420 1.00 29.01 H new ATOM 0 HG2 GLN A 859 13.109 7.453 25.297 1.00 33.57 H new ATOM 0 HG3 GLN A 859 13.787 8.687 25.967 1.00 33.57 H new ATOM 0 HE21 GLN A 859 11.051 8.183 25.241 1.00 43.00 H new ATOM 0 HE22 GLN A 859 10.566 9.334 24.430 1.00 43.00 H new ATOM 1370 N VAL A 860 17.684 7.828 23.471 1.00 21.24 N ATOM 1371 CA VAL A 860 18.652 7.468 22.468 1.00 21.66 C ATOM 1372 C VAL A 860 19.784 6.594 23.110 1.00 21.13 C ATOM 1373 O VAL A 860 20.211 5.645 22.502 1.00 21.22 O ATOM 1374 CB VAL A 860 19.185 8.661 21.721 1.00 22.40 C ATOM 1375 CG1 VAL A 860 20.156 8.166 20.679 1.00 21.96 C ATOM 1376 CG2 VAL A 860 18.057 9.379 20.960 1.00 20.90 C ATOM 0 H VAL A 860 17.716 8.645 23.739 1.00 21.24 H new ATOM 0 HA VAL A 860 18.206 6.932 21.794 1.00 21.66 H new ATOM 0 HB VAL A 860 19.595 9.266 22.359 1.00 22.40 H new ATOM 0 HG11 VAL A 860 20.513 8.920 20.184 1.00 21.96 H new ATOM 0 HG12 VAL A 860 20.883 7.692 21.113 1.00 21.96 H new ATOM 0 HG13 VAL A 860 19.698 7.567 20.069 1.00 21.96 H new ATOM 0 HG21 VAL A 860 18.421 10.143 20.486 1.00 20.90 H new ATOM 0 HG22 VAL A 860 17.655 8.767 20.324 1.00 20.90 H new ATOM 0 HG23 VAL A 860 17.383 9.680 21.589 1.00 20.90 H new ATOM 1377 N GLN A 861 20.172 6.870 24.325 1.00 20.23 N ATOM 1378 CA GLN A 861 21.137 6.016 25.047 1.00 22.62 C ATOM 1379 C GLN A 861 20.588 4.577 25.201 1.00 23.08 C ATOM 1380 O GLN A 861 21.348 3.641 25.074 1.00 20.84 O ATOM 1381 CB GLN A 861 21.522 6.582 26.447 1.00 24.76 C ATOM 1382 CG GLN A 861 22.559 5.631 27.081 1.00 30.77 C ATOM 1383 CD GLN A 861 23.466 6.194 28.135 1.00 39.44 C ATOM 1384 OE1 GLN A 861 23.141 7.170 28.774 1.00 40.68 O ATOM 1385 NE2 GLN A 861 24.618 5.506 28.371 1.00 40.44 N ATOM 0 H GLN A 861 19.897 7.551 24.773 1.00 20.23 H new ATOM 0 HA GLN A 861 21.943 6.004 24.508 1.00 22.62 H new ATOM 0 HB2 GLN A 861 21.890 7.475 26.361 1.00 24.76 H new ATOM 0 HB3 GLN A 861 20.736 6.651 27.012 1.00 24.76 H new ATOM 0 HG2 GLN A 861 22.080 4.882 27.468 1.00 30.77 H new ATOM 0 HG3 GLN A 861 23.113 5.276 26.369 1.00 30.77 H new ATOM 0 HE21 GLN A 861 24.813 4.817 27.894 1.00 40.44 H new ATOM 0 HE22 GLN A 861 25.150 5.761 28.997 1.00 40.44 H new ATOM 1386 N ASP A 862 19.312 4.412 25.452 1.00 24.17 N ATOM 1387 CA AASP A 862 18.718 3.053 25.513 0.49 25.37 C ATOM 1388 CA BASP A 862 18.726 3.061 25.528 0.51 26.58 C ATOM 1389 C ASP A 862 18.872 2.290 24.207 1.00 26.08 C ATOM 1390 O ASP A 862 19.117 1.069 24.218 1.00 22.90 O ATOM 1391 CB AASP A 862 17.248 3.090 25.902 0.49 26.07 C ATOM 1392 CB BASP A 862 17.266 3.145 25.956 0.51 28.32 C ATOM 1393 CG AASP A 862 17.043 3.508 27.327 0.49 30.38 C ATOM 1394 CG BASP A 862 16.698 1.822 26.405 0.51 35.79 C ATOM 1395 OD1AASP A 862 18.019 3.429 28.096 0.49 32.08 O ATOM 1396 OD1BASP A 862 17.374 1.095 27.159 0.51 37.46 O ATOM 1397 OD2AASP A 862 15.897 3.909 27.701 0.49 35.03 O ATOM 1398 OD2BASP A 862 15.543 1.528 26.043 0.51 39.06 O ATOM 0 H AASP A 862 18.758 5.054 25.592 0.49 24.17 H new ATOM 0 H BASP A 862 18.756 5.055 25.583 0.51 24.17 H new ATOM 0 HA AASP A 862 19.215 2.585 26.202 0.49 26.58 H new ATOM 0 HA BASP A 862 19.220 2.563 26.197 0.51 26.58 H new ATOM 0 HB2AASP A 862 16.777 3.704 25.317 0.49 28.32 H new ATOM 0 HB2BASP A 862 17.184 3.787 26.679 0.51 28.32 H new ATOM 0 HB3AASP A 862 16.858 2.212 25.766 0.49 28.32 H new ATOM 0 HB3BASP A 862 16.738 3.482 25.216 0.51 28.32 H new ATOM 1399 N ILE A 863 18.720 2.971 23.057 1.00 22.07 N ATOM 1400 CA ILE A 863 18.910 2.340 21.759 1.00 22.66 C ATOM 1401 C ILE A 863 20.327 1.955 21.572 1.00 20.62 C ATOM 1402 O ILE A 863 20.640 0.792 21.175 1.00 20.07 O ATOM 1403 CB ILE A 863 18.542 3.359 20.584 1.00 27.52 C ATOM 1404 CG1 ILE A 863 17.060 3.688 20.627 1.00 30.40 C ATOM 1405 CG2 ILE A 863 18.902 2.826 19.207 1.00 28.35 C ATOM 1406 CD1 ILE A 863 16.177 2.527 20.472 1.00 35.05 C ATOM 0 H ILE A 863 18.506 3.803 23.018 1.00 22.07 H new ATOM 0 HA ILE A 863 18.335 1.559 21.730 1.00 22.66 H new ATOM 0 HB ILE A 863 19.070 4.159 20.732 1.00 27.52 H new ATOM 0 HG12 ILE A 863 16.861 4.122 21.471 1.00 30.40 H new ATOM 0 HG13 ILE A 863 16.861 4.328 19.925 1.00 30.40 H new ATOM 0 HG21 ILE A 863 18.659 3.480 18.533 1.00 28.35 H new ATOM 0 HG22 ILE A 863 19.856 2.658 19.164 1.00 28.35 H new ATOM 0 HG23 ILE A 863 18.421 2.000 19.044 1.00 28.35 H new ATOM 0 HD11 ILE A 863 15.252 2.816 20.510 1.00 35.05 H new ATOM 0 HD12 ILE A 863 16.348 2.102 19.617 1.00 35.05 H new ATOM 0 HD13 ILE A 863 16.347 1.893 21.187 1.00 35.05 H new ATOM 1407 N PHE A 864 21.237 2.856 21.928 1.00 18.05 N ATOM 1408 CA PHE A 864 22.661 2.485 21.929 1.00 19.86 C ATOM 1409 C PHE A 864 22.981 1.246 22.789 1.00 19.19 C ATOM 1410 O PHE A 864 23.657 0.370 22.292 1.00 20.71 O ATOM 1411 CB PHE A 864 23.550 3.666 22.461 1.00 19.10 C ATOM 1412 CG PHE A 864 24.968 3.342 22.609 1.00 18.24 C ATOM 1413 CD1 PHE A 864 25.766 3.147 21.505 1.00 18.64 C ATOM 1414 CD2 PHE A 864 25.508 3.161 23.865 1.00 19.70 C ATOM 1415 CE1 PHE A 864 27.102 2.828 21.639 1.00 20.43 C ATOM 1416 CE2 PHE A 864 26.841 2.795 23.990 1.00 19.69 C ATOM 1417 CZ PHE A 864 27.640 2.645 22.890 1.00 20.01 C ATOM 0 H PHE A 864 21.065 3.664 22.166 1.00 18.05 H new ATOM 0 HA PHE A 864 22.862 2.278 21.003 1.00 19.86 H new ATOM 0 HB2 PHE A 864 23.464 4.418 21.855 1.00 19.10 H new ATOM 0 HB3 PHE A 864 23.205 3.953 23.321 1.00 19.10 H new ATOM 0 HD1 PHE A 864 25.399 3.232 20.655 1.00 18.64 H new ATOM 0 HD2 PHE A 864 24.983 3.283 24.623 1.00 19.70 H new ATOM 0 HE1 PHE A 864 27.637 2.737 20.884 1.00 20.43 H new ATOM 0 HE2 PHE A 864 27.197 2.649 24.837 1.00 19.69 H new ATOM 0 HZ PHE A 864 28.537 2.422 22.988 1.00 20.01 H new ATOM 1418 N GLU A 865 22.549 1.237 24.039 1.00 20.40 N ATOM 1419 CA GLU A 865 22.886 0.185 24.983 1.00 22.15 C ATOM 1420 C GLU A 865 22.312 -1.206 24.608 1.00 21.45 C ATOM 1421 O GLU A 865 22.992 -2.212 24.666 1.00 20.37 O ATOM 1422 CB GLU A 865 22.512 0.539 26.403 1.00 23.50 C ATOM 1423 CG GLU A 865 23.272 1.721 26.987 1.00 26.08 C ATOM 1424 CD GLU A 865 24.765 1.579 27.113 1.00 32.50 C ATOM 1425 OE1 GLU A 865 25.293 0.467 27.088 1.00 33.69 O ATOM 1426 OE2 GLU A 865 25.473 2.610 27.342 1.00 32.14 O ATOM 0 H GLU A 865 22.044 1.850 24.368 1.00 20.40 H new ATOM 0 HA GLU A 865 23.852 0.115 24.928 1.00 22.15 H new ATOM 0 HB2 GLU A 865 21.562 0.734 26.435 1.00 23.50 H new ATOM 0 HB3 GLU A 865 22.662 -0.236 26.966 1.00 23.50 H new ATOM 0 HG2 GLU A 865 23.089 2.499 26.437 1.00 26.08 H new ATOM 0 HG3 GLU A 865 22.911 1.905 27.868 1.00 26.08 H new ATOM 1427 N LYS A 866 21.099 -1.222 24.151 1.00 21.65 N ATOM 1428 CA LYS A 866 20.484 -2.421 23.617 1.00 22.72 C ATOM 1429 C LYS A 866 21.213 -2.996 22.435 1.00 24.02 C ATOM 1430 O LYS A 866 21.457 -4.212 22.357 1.00 20.43 O ATOM 1431 CB LYS A 866 19.043 -2.150 23.172 1.00 25.53 C ATOM 1432 CG LYS A 866 18.019 -2.167 24.286 1.00 37.77 C ATOM 1433 CD LYS A 866 16.597 -1.992 23.691 1.00 42.91 C ATOM 1434 CE LYS A 866 15.595 -1.530 24.753 1.00 51.38 C ATOM 1435 NZ LYS A 866 15.051 -2.677 25.522 1.00 53.05 N ATOM 0 H LYS A 866 20.588 -0.530 24.136 1.00 21.65 H new ATOM 0 HA LYS A 866 20.516 -3.060 24.346 1.00 22.72 H new ATOM 0 HB2 LYS A 866 19.011 -1.285 22.734 1.00 25.53 H new ATOM 0 HB3 LYS A 866 18.793 -2.813 22.510 1.00 25.53 H new ATOM 0 HG2 LYS A 866 18.074 -3.003 24.775 1.00 37.77 H new ATOM 0 HG3 LYS A 866 18.204 -1.455 24.919 1.00 37.77 H new ATOM 0 HD2 LYS A 866 16.625 -1.345 22.968 1.00 42.91 H new ATOM 0 HD3 LYS A 866 16.300 -2.832 23.308 1.00 42.91 H new ATOM 0 HE2 LYS A 866 16.028 -0.908 25.359 1.00 51.38 H new ATOM 0 HE3 LYS A 866 14.868 -1.051 24.327 1.00 51.38 H new ATOM 0 HZ1 LYS A 866 14.473 -2.380 26.130 1.00 53.05 H new ATOM 0 HZ2 LYS A 866 14.636 -3.236 24.968 1.00 53.05 H new ATOM 0 HZ3 LYS A 866 15.717 -3.104 25.930 1.00 53.05 H new ATOM 1436 N ASN A 867 21.525 -2.140 21.463 1.00 22.16 N ATOM 1437 CA ASN A 867 22.311 -2.554 20.330 1.00 22.33 C ATOM 1438 C ASN A 867 23.739 -2.977 20.671 1.00 20.80 C ATOM 1439 O ASN A 867 24.228 -3.922 20.024 1.00 20.19 O ATOM 1440 CB ASN A 867 22.268 -1.534 19.184 1.00 21.13 C ATOM 1441 CG ASN A 867 20.941 -1.594 18.420 1.00 23.52 C ATOM 1442 OD1 ASN A 867 20.746 -2.464 17.563 1.00 23.94 O ATOM 1443 ND2 ASN A 867 20.022 -0.679 18.732 1.00 24.12 N ATOM 0 H ASN A 867 21.285 -1.314 21.451 1.00 22.16 H new ATOM 0 HA ASN A 867 21.879 -3.363 20.014 1.00 22.33 H new ATOM 0 HB2 ASN A 867 22.396 -0.641 19.541 1.00 21.13 H new ATOM 0 HB3 ASN A 867 23.002 -1.703 18.572 1.00 21.13 H new ATOM 0 HD21 ASN A 867 19.261 -0.680 18.332 1.00 24.12 H new ATOM 0 HD22 ASN A 867 20.191 -0.088 19.333 1.00 24.12 H new ATOM 1444 N PHE A 868 24.372 -2.315 21.656 1.00 18.20 N ATOM 1445 CA PHE A 868 25.685 -2.712 22.119 1.00 19.05 C ATOM 1446 C PHE A 868 25.643 -4.144 22.659 1.00 20.01 C ATOM 1447 O PHE A 868 26.487 -4.979 22.277 1.00 19.86 O ATOM 1448 CB PHE A 868 26.166 -1.757 23.178 1.00 19.46 C ATOM 1449 CG PHE A 868 27.481 -2.159 23.815 1.00 22.60 C ATOM 1450 CD1 PHE A 868 28.627 -2.170 23.091 1.00 20.72 C ATOM 1451 CD2 PHE A 868 27.504 -2.625 25.129 1.00 27.77 C ATOM 1452 CE1 PHE A 868 29.874 -2.502 23.686 1.00 24.09 C ATOM 1453 CE2 PHE A 868 28.702 -3.016 25.729 1.00 30.49 C ATOM 1454 CZ PHE A 868 29.894 -2.958 24.986 1.00 29.06 C ATOM 0 H PHE A 868 24.044 -1.631 22.062 1.00 18.20 H new ATOM 0 HA PHE A 868 26.306 -2.685 21.375 1.00 19.05 H new ATOM 0 HB2 PHE A 868 26.263 -0.875 22.786 1.00 19.46 H new ATOM 0 HB3 PHE A 868 25.490 -1.687 23.870 1.00 19.46 H new ATOM 0 HD1 PHE A 868 28.596 -1.956 22.186 1.00 20.72 H new ATOM 0 HD2 PHE A 868 26.711 -2.676 25.612 1.00 27.77 H new ATOM 0 HE1 PHE A 868 30.665 -2.413 23.205 1.00 24.09 H new ATOM 0 HE2 PHE A 868 28.712 -3.312 26.611 1.00 30.49 H new ATOM 0 HZ PHE A 868 30.696 -3.227 25.372 1.00 29.06 H new ATOM 1455 N ARG A 869 24.685 -4.419 23.531 1.00 19.81 N ATOM 1456 CA ARG A 869 24.532 -5.755 24.145 1.00 24.55 C ATOM 1457 C ARG A 869 24.245 -6.836 23.082 1.00 27.19 C ATOM 1458 O ARG A 869 24.849 -7.890 23.148 1.00 25.39 O ATOM 1459 CB ARG A 869 23.476 -5.777 25.192 1.00 24.04 C ATOM 1460 CG ARG A 869 23.857 -4.932 26.393 1.00 24.77 C ATOM 1461 CD ARG A 869 22.923 -5.155 27.576 1.00 28.51 C ATOM 1462 NE ARG A 869 21.531 -4.830 27.319 1.00 27.84 N ATOM 1463 CZ ARG A 869 20.975 -3.628 27.521 1.00 33.62 C ATOM 1464 NH1 ARG A 869 21.680 -2.569 27.930 1.00 31.61 N ATOM 1465 NH2 ARG A 869 19.711 -3.458 27.223 1.00 33.62 N ATOM 0 H ARG A 869 24.100 -3.845 23.791 1.00 19.81 H new ATOM 0 HA ARG A 869 25.379 -5.956 24.573 1.00 24.55 H new ATOM 0 HB2 ARG A 869 22.643 -5.451 24.818 1.00 24.04 H new ATOM 0 HB3 ARG A 869 23.321 -6.691 25.476 1.00 24.04 H new ATOM 0 HG2 ARG A 869 24.766 -5.141 26.658 1.00 24.77 H new ATOM 0 HG3 ARG A 869 23.842 -3.995 26.144 1.00 24.77 H new ATOM 0 HD2 ARG A 869 22.981 -6.084 27.847 1.00 28.51 H new ATOM 0 HD3 ARG A 869 23.234 -4.621 28.324 1.00 28.51 H new ATOM 0 HE ARG A 869 21.026 -5.456 27.014 1.00 27.84 H new ATOM 0 HH11 ARG A 869 22.525 -2.644 28.074 1.00 31.61 H new ATOM 0 HH12 ARG A 869 21.289 -1.812 28.049 1.00 31.61 H new ATOM 0 HH21 ARG A 869 19.253 -4.112 26.904 1.00 33.62 H new ATOM 0 HH22 ARG A 869 19.339 -2.692 27.347 1.00 33.62 H new ATOM 1466 N ASN A 870 23.452 -6.500 22.046 1.00 23.24 N ATOM 1467 CA ASN A 870 23.186 -7.409 20.952 1.00 26.59 C ATOM 1468 C ASN A 870 24.417 -7.655 20.054 1.00 27.75 C ATOM 1469 O ASN A 870 24.819 -8.793 19.805 1.00 24.90 O ATOM 1470 CB ASN A 870 21.980 -6.917 20.117 1.00 26.61 C ATOM 1471 CG ASN A 870 21.699 -7.830 18.905 1.00 39.44 C ATOM 1472 OD1 ASN A 870 21.987 -7.494 17.771 1.00 42.74 O ATOM 1473 ND2 ASN A 870 21.207 -8.995 19.167 1.00 41.05 N ATOM 0 H ASN A 870 23.062 -5.737 21.972 1.00 23.24 H new ATOM 0 HA ASN A 870 22.966 -8.266 21.350 1.00 26.59 H new ATOM 0 HB2 ASN A 870 21.192 -6.879 20.681 1.00 26.61 H new ATOM 0 HB3 ASN A 870 22.150 -6.014 19.807 1.00 26.61 H new ATOM 0 HD21 ASN A 870 21.074 -9.559 18.531 1.00 41.05 H new ATOM 0 HD22 ASN A 870 21.012 -9.207 19.977 1.00 41.05 H new ATOM 1474 N ILE A 871 25.039 -6.593 19.562 1.00 24.08 N ATOM 1475 CA ILE A 871 26.105 -6.720 18.573 1.00 25.50 C ATOM 1476 C ILE A 871 27.354 -7.374 19.140 1.00 23.17 C ATOM 1477 O ILE A 871 28.089 -8.120 18.422 1.00 22.75 O ATOM 1478 CB ILE A 871 26.438 -5.334 17.983 1.00 23.60 C ATOM 1479 CG1 ILE A 871 25.226 -4.910 17.097 1.00 26.94 C ATOM 1480 CG2 ILE A 871 27.703 -5.334 17.194 1.00 22.38 C ATOM 1481 CD1 ILE A 871 25.183 -3.414 16.769 1.00 28.94 C ATOM 0 H ILE A 871 24.859 -5.783 19.788 1.00 24.08 H new ATOM 0 HA ILE A 871 25.781 -7.304 17.870 1.00 25.50 H new ATOM 0 HB ILE A 871 26.584 -4.702 18.704 1.00 23.60 H new ATOM 0 HG12 ILE A 871 25.253 -5.412 16.268 1.00 26.94 H new ATOM 0 HG13 ILE A 871 24.405 -5.155 17.551 1.00 26.94 H new ATOM 0 HG21 ILE A 871 27.867 -4.444 16.846 1.00 22.38 H new ATOM 0 HG22 ILE A 871 28.441 -5.599 17.765 1.00 22.38 H new ATOM 0 HG23 ILE A 871 27.625 -5.960 16.457 1.00 22.38 H new ATOM 0 HD11 ILE A 871 24.407 -3.225 16.218 1.00 28.94 H new ATOM 0 HD12 ILE A 871 25.127 -2.904 17.592 1.00 28.94 H new ATOM 0 HD13 ILE A 871 25.988 -3.165 16.289 1.00 28.94 H new ATOM 1482 N PHE A 872 27.648 -7.072 20.392 1.00 21.32 N ATOM 1483 CA PHE A 872 28.837 -7.596 20.957 1.00 23.23 C ATOM 1484 C PHE A 872 28.521 -8.816 21.873 1.00 25.09 C ATOM 1485 O PHE A 872 29.391 -9.200 22.611 1.00 25.24 O ATOM 1486 CB PHE A 872 29.568 -6.526 21.733 1.00 22.51 C ATOM 1487 CG PHE A 872 30.268 -5.578 20.867 1.00 20.47 C ATOM 1488 CD1 PHE A 872 31.529 -5.870 20.418 1.00 24.48 C ATOM 1489 CD2 PHE A 872 29.667 -4.422 20.489 1.00 21.65 C ATOM 1490 CE1 PHE A 872 32.225 -4.979 19.618 1.00 24.84 C ATOM 1491 CE2 PHE A 872 30.348 -3.502 19.686 1.00 25.80 C ATOM 1492 CZ PHE A 872 31.613 -3.776 19.246 1.00 24.55 C ATOM 0 H PHE A 872 27.174 -6.575 20.910 1.00 21.32 H new ATOM 0 HA PHE A 872 29.410 -7.899 20.235 1.00 23.23 H new ATOM 0 HB2 PHE A 872 28.934 -6.044 22.288 1.00 22.51 H new ATOM 0 HB3 PHE A 872 30.207 -6.945 22.331 1.00 22.51 H new ATOM 0 HD1 PHE A 872 31.923 -6.678 20.654 1.00 24.48 H new ATOM 0 HD2 PHE A 872 28.798 -4.241 20.765 1.00 21.65 H new ATOM 0 HE1 PHE A 872 33.087 -5.177 19.332 1.00 24.84 H new ATOM 0 HE2 PHE A 872 29.939 -2.701 19.450 1.00 25.80 H new ATOM 0 HZ PHE A 872 32.063 -3.169 18.704 1.00 24.55 H new ATOM 1493 N ALA A 873 27.281 -9.308 21.851 1.00 23.69 N ATOM 1494 CA ALA A 873 26.878 -10.558 22.535 1.00 23.88 C ATOM 1495 C ALA A 873 27.257 -10.517 24.059 1.00 27.08 C ATOM 1496 O ALA A 873 27.962 -11.419 24.598 1.00 24.96 O ATOM 1497 CB ALA A 873 27.569 -11.726 21.815 1.00 26.69 C ATOM 0 H ALA A 873 26.635 -8.924 21.433 1.00 23.69 H new ATOM 0 HA ALA A 873 25.915 -10.668 22.495 1.00 23.88 H new ATOM 0 HB1 ALA A 873 27.323 -12.561 22.243 1.00 26.69 H new ATOM 0 HB2 ALA A 873 27.290 -11.744 20.886 1.00 26.69 H new ATOM 0 HB3 ALA A 873 28.531 -11.611 21.861 1.00 26.69 H new ATOM 1498 N ILE A 874 26.804 -9.480 24.740 1.00 23.45 N ATOM 1499 CA ILE A 874 27.125 -9.272 26.137 1.00 24.27 C ATOM 1500 C ILE A 874 26.245 -10.278 26.880 1.00 28.06 C ATOM 1501 O ILE A 874 25.107 -10.489 26.510 1.00 26.21 O ATOM 1502 CB ILE A 874 26.794 -7.860 26.583 1.00 25.25 C ATOM 1503 CG1 ILE A 874 27.678 -6.858 25.854 1.00 27.02 C ATOM 1504 CG2 ILE A 874 26.857 -7.731 28.099 1.00 29.30 C ATOM 1505 CD1 ILE A 874 29.141 -6.962 26.180 1.00 30.11 C ATOM 0 H ILE A 874 26.298 -8.873 24.402 1.00 23.45 H new ATOM 0 HA ILE A 874 28.072 -9.392 26.309 1.00 24.27 H new ATOM 0 HB ILE A 874 25.877 -7.655 26.340 1.00 25.25 H new ATOM 0 HG12 ILE A 874 27.562 -6.978 24.898 1.00 27.02 H new ATOM 0 HG13 ILE A 874 27.374 -5.962 26.067 1.00 27.02 H new ATOM 0 HG21 ILE A 874 26.642 -6.821 28.356 1.00 29.30 H new ATOM 0 HG22 ILE A 874 26.219 -8.340 28.503 1.00 29.30 H new ATOM 0 HG23 ILE A 874 27.751 -7.950 28.406 1.00 29.30 H new ATOM 0 HD11 ILE A 874 29.633 -6.294 25.678 1.00 30.11 H new ATOM 0 HD12 ILE A 874 29.272 -6.814 27.130 1.00 30.11 H new ATOM 0 HD13 ILE A 874 29.463 -7.846 25.943 1.00 30.11 H new ATOM 1506 N GLN A 875 26.803 -10.939 27.881 1.00 28.73 N ATOM 1507 CA GLN A 875 26.087 -11.980 28.670 1.00 31.97 C ATOM 1508 C GLN A 875 24.834 -11.385 29.240 1.00 31.49 C ATOM 1509 O GLN A 875 24.885 -10.375 29.893 1.00 29.06 O ATOM 1510 CB GLN A 875 26.992 -12.547 29.829 1.00 32.88 C ATOM 1511 CG GLN A 875 26.305 -13.566 30.827 1.00 34.23 C ATOM 1512 CD GLN A 875 25.670 -14.770 30.136 1.00 33.17 C ATOM 1513 OE1 GLN A 875 26.298 -15.421 29.313 1.00 33.93 O ATOM 1514 NE2 GLN A 875 24.410 -15.042 30.430 1.00 33.88 N ATOM 0 H GLN A 875 27.613 -10.808 28.137 1.00 28.73 H new ATOM 0 HA GLN A 875 25.867 -12.719 28.082 1.00 31.97 H new ATOM 0 HB2 GLN A 875 27.759 -12.985 29.429 1.00 32.88 H new ATOM 0 HB3 GLN A 875 27.330 -11.798 30.345 1.00 32.88 H new ATOM 0 HG2 GLN A 875 26.967 -13.880 31.462 1.00 34.23 H new ATOM 0 HG3 GLN A 875 25.624 -13.099 31.335 1.00 34.23 H new ATOM 0 HE21 GLN A 875 23.992 -14.567 31.013 1.00 33.88 H new ATOM 0 HE22 GLN A 875 24.008 -15.694 30.038 1.00 33.88 H new ATOM 1515 N GLU A 876 23.703 -12.001 28.973 1.00 31.47 N ATOM 1516 CA GLU A 876 22.454 -11.564 29.577 1.00 38.13 C ATOM 1517 C GLU A 876 22.472 -11.642 31.100 1.00 39.91 C ATOM 1518 O GLU A 876 22.990 -12.633 31.674 1.00 34.69 O ATOM 1519 CB GLU A 876 21.301 -12.380 28.997 1.00 44.55 C ATOM 1520 CG GLU A 876 20.940 -11.913 27.578 1.00 52.26 C ATOM 1521 CD GLU A 876 20.018 -10.670 27.546 1.00 56.66 C ATOM 1522 OE1 GLU A 876 18.872 -10.723 28.040 1.00 61.39 O ATOM 1523 OE2 GLU A 876 20.426 -9.620 27.009 1.00 62.00 O ATOM 0 H GLU A 876 23.631 -12.676 28.445 1.00 31.47 H new ATOM 0 HA GLU A 876 22.332 -10.626 29.362 1.00 38.13 H new ATOM 0 HB2 GLU A 876 21.545 -13.319 28.978 1.00 44.55 H new ATOM 0 HB3 GLU A 876 20.524 -12.300 29.573 1.00 44.55 H new ATOM 0 HG2 GLU A 876 21.757 -11.712 27.095 1.00 52.26 H new ATOM 0 HG3 GLU A 876 20.504 -12.641 27.108 1.00 52.26 H new ATOM 1524 N THR A 877 21.957 -10.600 31.765 1.00 46.65 N ATOM 1525 CA THR A 877 21.793 -10.633 33.260 1.00 56.09 C ATOM 1526 C THR A 877 20.434 -10.120 33.715 1.00 66.25 C ATOM 1527 O THR A 877 19.752 -9.414 32.969 1.00 68.98 O ATOM 1528 CB THR A 877 22.868 -9.802 34.036 1.00 57.32 C ATOM 1529 OG1 THR A 877 22.835 -8.444 33.605 1.00 60.89 O ATOM 1530 CG2 THR A 877 24.279 -10.352 33.842 1.00 59.66 C ATOM 0 H THR A 877 21.696 -9.870 31.392 1.00 46.65 H new ATOM 0 HA THR A 877 21.895 -11.574 33.470 1.00 56.09 H new ATOM 0 HB THR A 877 22.650 -9.865 34.979 1.00 57.32 H new ATOM 0 HG1 THR A 877 23.413 -8.002 34.025 1.00 60.89 H new ATOM 0 HG21 THR A 877 24.910 -9.808 34.339 1.00 59.66 H new ATOM 0 HG22 THR A 877 24.317 -11.266 34.164 1.00 59.66 H new ATOM 0 HG23 THR A 877 24.508 -10.332 32.900 1.00 59.66 H new ATOM 1531 N SER A 878 20.060 -10.483 34.949 1.00 83.26 N ATOM 1532 CA SER A 878 19.017 -9.759 35.722 1.00 84.88 C ATOM 1533 C SER A 878 19.631 -8.490 36.281 1.00 81.16 C ATOM 1534 O SER A 878 18.991 -7.451 36.283 1.00 97.52 O ATOM 1535 CB SER A 878 18.465 -10.599 36.886 1.00 83.28 C ATOM 1536 OG SER A 878 19.511 -11.233 37.610 1.00 77.17 O ATOM 0 H SER A 878 20.399 -11.154 35.367 1.00 83.26 H new ATOM 0 HA SER A 878 18.278 -9.565 35.124 1.00 84.88 H new ATOM 0 HB2 SER A 878 17.954 -10.031 37.483 1.00 83.28 H new ATOM 0 HB3 SER A 878 17.855 -11.270 36.542 1.00 83.28 H new ATOM 0 HG SER A 878 19.184 -11.683 38.239 1.00 77.17 H new TER 1537 SER A 878 ATOM 1538 N GLU B 700 -6.525 40.756 40.684 1.00 73.34 N ATOM 1539 CA GLU B 700 -5.586 40.878 39.529 1.00 69.54 C ATOM 1540 C GLU B 700 -5.516 39.617 38.589 1.00 69.00 C ATOM 1541 O GLU B 700 -4.719 39.628 37.648 1.00 75.49 O ATOM 1542 CB GLU B 700 -4.192 41.277 40.041 1.00 65.78 C ATOM 0 HA GLU B 700 -5.947 41.575 38.959 1.00 69.54 H new ATOM 1543 N ASN B 701 -6.304 38.551 38.829 1.00 54.82 N ATOM 1544 CA ASN B 701 -6.443 37.450 37.828 1.00 55.16 C ATOM 1545 C ASN B 701 -7.876 37.182 37.361 1.00 54.62 C ATOM 1546 O ASN B 701 -8.813 37.457 38.083 1.00 62.51 O ATOM 1547 CB ASN B 701 -5.822 36.156 38.329 1.00 54.11 C ATOM 1548 CG ASN B 701 -4.302 36.201 38.296 1.00 58.28 C ATOM 1549 OD1 ASN B 701 -3.644 35.791 37.296 1.00 49.13 O ATOM 1550 ND2 ASN B 701 -3.727 36.684 39.386 1.00 59.17 N ATOM 0 H ASN B 701 -6.761 38.441 39.549 1.00 54.82 H new ATOM 0 HA ASN B 701 -5.958 37.773 37.053 1.00 55.16 H new ATOM 0 HB2 ASN B 701 -6.120 35.986 39.236 1.00 54.11 H new ATOM 0 HB3 ASN B 701 -6.134 35.417 37.784 1.00 54.11 H new ATOM 0 HD21 ASN B 701 -2.870 36.729 39.436 1.00 59.17 H new ATOM 0 HD22 ASN B 701 -4.211 36.953 40.044 1.00 59.17 H new ATOM 1551 N SER B 702 -8.032 36.640 36.152 1.00 46.83 N ATOM 1552 CA SER B 702 -9.331 36.266 35.622 1.00 39.81 C ATOM 1553 C SER B 702 -9.972 35.211 36.497 1.00 36.89 C ATOM 1554 O SER B 702 -9.283 34.383 37.078 1.00 37.31 O ATOM 1555 CB SER B 702 -9.197 35.723 34.184 1.00 40.19 C ATOM 1556 OG SER B 702 -10.456 35.326 33.640 1.00 41.73 O ATOM 0 H SER B 702 -7.378 36.480 35.617 1.00 46.83 H new ATOM 0 HA SER B 702 -9.890 37.059 35.611 1.00 39.81 H new ATOM 0 HB2 SER B 702 -8.802 36.404 33.618 1.00 40.19 H new ATOM 0 HB3 SER B 702 -8.591 34.965 34.181 1.00 40.19 H new ATOM 0 HG SER B 702 -10.367 35.155 32.823 1.00 41.73 H new ATOM 1557 N ASN B 703 -11.314 35.211 36.572 1.00 38.13 N ATOM 1558 CA ASN B 703 -12.042 34.080 37.235 1.00 37.20 C ATOM 1559 C ASN B 703 -12.577 33.043 36.283 1.00 33.48 C ATOM 1560 O ASN B 703 -13.435 32.222 36.624 1.00 33.52 O ATOM 1561 CB ASN B 703 -13.185 34.632 38.112 1.00 51.26 C ATOM 1562 CG ASN B 703 -14.213 35.402 37.308 1.00 60.35 C ATOM 1563 OD1 ASN B 703 -13.912 35.992 36.249 1.00 62.63 O ATOM 1564 ND2 ASN B 703 -15.436 35.451 37.832 1.00 80.38 N ATOM 0 H ASN B 703 -11.819 35.832 36.258 1.00 38.13 H new ATOM 0 HA ASN B 703 -11.383 33.623 37.781 1.00 37.20 H new ATOM 0 HB2 ASN B 703 -13.621 33.897 38.570 1.00 51.26 H new ATOM 0 HB3 ASN B 703 -12.813 35.211 38.796 1.00 51.26 H new ATOM 0 HD21 ASN B 703 -16.054 35.902 37.439 1.00 80.38 H new ATOM 0 HD22 ASN B 703 -15.608 35.032 38.563 1.00 80.38 H new ATOM 1565 N ILE B 704 -12.113 33.068 35.033 1.00 36.45 N ATOM 1566 CA ILE B 704 -12.456 31.972 34.089 1.00 35.52 C ATOM 1567 C ILE B 704 -11.157 31.528 33.371 1.00 29.18 C ATOM 1568 O ILE B 704 -10.226 32.289 33.241 1.00 29.47 O ATOM 1569 CB ILE B 704 -13.527 32.360 33.016 1.00 35.71 C ATOM 1570 CG1 ILE B 704 -13.135 33.643 32.343 1.00 39.04 C ATOM 1571 CG2 ILE B 704 -14.932 32.491 33.623 1.00 44.14 C ATOM 1572 CD1 ILE B 704 -14.063 34.021 31.205 1.00 42.58 C ATOM 0 H ILE B 704 -11.612 33.687 34.708 1.00 36.45 H new ATOM 0 HA ILE B 704 -12.849 31.258 34.615 1.00 35.52 H new ATOM 0 HB ILE B 704 -13.559 31.644 32.362 1.00 35.71 H new ATOM 0 HG12 ILE B 704 -13.128 34.358 32.999 1.00 39.04 H new ATOM 0 HG13 ILE B 704 -12.230 33.561 32.003 1.00 39.04 H new ATOM 0 HG21 ILE B 704 -15.564 32.732 32.928 1.00 44.14 H new ATOM 0 HG22 ILE B 704 -15.194 31.645 34.019 1.00 44.14 H new ATOM 0 HG23 ILE B 704 -14.927 33.179 34.307 1.00 44.14 H new ATOM 0 HD11 ILE B 704 -13.765 34.854 30.807 1.00 42.58 H new ATOM 0 HD12 ILE B 704 -14.054 33.321 30.534 1.00 42.58 H new ATOM 0 HD13 ILE B 704 -14.965 34.130 31.545 1.00 42.58 H new ATOM 1573 N CYS B 705 -11.162 30.258 32.988 1.00 29.28 N ATOM 1574 CA CYS B 705 -10.069 29.659 32.234 1.00 27.97 C ATOM 1575 C CYS B 705 -9.960 30.357 30.908 1.00 26.51 C ATOM 1576 O CYS B 705 -10.956 30.427 30.164 1.00 30.53 O ATOM 1577 CB CYS B 705 -10.357 28.214 32.055 1.00 25.63 C ATOM 1578 SG CYS B 705 -9.119 27.224 31.029 1.00 25.15 S ATOM 0 H CYS B 705 -11.806 29.714 33.160 1.00 29.28 H new ATOM 0 HA CYS B 705 -9.226 29.754 32.704 1.00 27.97 H new ATOM 0 HB2 CYS B 705 -10.417 27.806 32.933 1.00 25.63 H new ATOM 0 HB3 CYS B 705 -11.230 28.128 31.642 1.00 25.63 H new ATOM 1579 N GLU B 706 -8.745 30.740 30.562 1.00 26.37 N ATOM 1580 CA GLU B 706 -8.436 31.411 29.284 1.00 29.19 C ATOM 1581 C GLU B 706 -8.767 30.555 28.069 1.00 25.92 C ATOM 1582 O GLU B 706 -9.070 31.099 27.042 1.00 29.99 O ATOM 1583 CB GLU B 706 -6.945 31.732 29.228 1.00 29.47 C ATOM 1584 CG GLU B 706 -6.449 32.571 28.048 1.00 34.42 C ATOM 1585 CD GLU B 706 -6.702 34.056 28.251 1.00 37.29 C ATOM 1586 OE1 GLU B 706 -7.330 34.400 29.290 1.00 42.35 O ATOM 1587 OE2 GLU B 706 -6.234 34.844 27.396 1.00 38.62 O ATOM 0 H GLU B 706 -8.056 30.621 31.063 1.00 26.37 H new ATOM 0 HA GLU B 706 -8.982 32.212 29.253 1.00 29.19 H new ATOM 0 HB2 GLU B 706 -6.707 32.196 30.046 1.00 29.47 H new ATOM 0 HB3 GLU B 706 -6.458 30.893 29.225 1.00 29.47 H new ATOM 0 HG2 GLU B 706 -5.499 32.421 27.923 1.00 34.42 H new ATOM 0 HG3 GLU B 706 -6.891 32.277 27.236 1.00 34.42 H new ATOM 1588 N VAL B 707 -8.713 29.257 28.205 1.00 23.31 N ATOM 1589 CA VAL B 707 -8.850 28.365 27.070 1.00 25.91 C ATOM 1590 C VAL B 707 -10.325 28.027 26.819 1.00 28.60 C ATOM 1591 O VAL B 707 -10.812 28.185 25.712 1.00 29.28 O ATOM 1592 CB VAL B 707 -8.021 27.068 27.283 1.00 24.25 C ATOM 1593 CG1 VAL B 707 -8.088 26.180 26.068 1.00 25.58 C ATOM 1594 CG2 VAL B 707 -6.574 27.417 27.540 1.00 23.77 C ATOM 0 H VAL B 707 -8.596 28.858 28.958 1.00 23.31 H new ATOM 0 HA VAL B 707 -8.504 28.821 26.287 1.00 25.91 H new ATOM 0 HB VAL B 707 -8.395 26.599 28.045 1.00 24.25 H new ATOM 0 HG11 VAL B 707 -7.564 25.378 26.224 1.00 25.58 H new ATOM 0 HG12 VAL B 707 -9.011 25.935 25.897 1.00 25.58 H new ATOM 0 HG13 VAL B 707 -7.732 26.654 25.300 1.00 25.58 H new ATOM 0 HG21 VAL B 707 -6.063 26.603 27.672 1.00 23.77 H new ATOM 0 HG22 VAL B 707 -6.218 27.902 26.779 1.00 23.77 H new ATOM 0 HG23 VAL B 707 -6.511 27.970 28.334 1.00 23.77 H new ATOM 1595 N CYS B 708 -10.997 27.507 27.836 1.00 27.44 N ATOM 1596 CA CYS B 708 -12.380 27.019 27.711 1.00 27.16 C ATOM 1597 C CYS B 708 -13.440 27.983 28.267 1.00 27.93 C ATOM 1598 O CYS B 708 -14.615 27.669 28.146 1.00 29.61 O ATOM 1599 CB CYS B 708 -12.580 25.657 28.360 1.00 26.39 C ATOM 1600 SG CYS B 708 -12.541 25.661 30.191 1.00 28.33 S ATOM 0 H CYS B 708 -10.669 27.423 28.626 1.00 27.44 H new ATOM 0 HA CYS B 708 -12.510 26.949 26.752 1.00 27.16 H new ATOM 0 HB2 CYS B 708 -13.432 25.297 28.069 1.00 26.39 H new ATOM 0 HB3 CYS B 708 -11.892 25.055 28.036 1.00 26.39 H new ATOM 1601 N ASN B 709 -13.042 29.111 28.837 1.00 28.62 N ATOM 1602 CA ASN B 709 -13.961 30.107 29.429 1.00 33.31 C ATOM 1603 C ASN B 709 -14.898 29.616 30.551 1.00 35.73 C ATOM 1604 O ASN B 709 -15.882 30.283 30.819 1.00 41.30 O ATOM 1605 CB ASN B 709 -14.739 30.791 28.305 1.00 35.14 C ATOM 1606 CG ASN B 709 -13.815 31.335 27.249 1.00 43.88 C ATOM 1607 OD1 ASN B 709 -13.659 30.732 26.179 1.00 52.16 O ATOM 1608 ND2 ASN B 709 -13.106 32.402 27.576 1.00 44.76 N ATOM 0 H ASN B 709 -12.214 29.334 28.898 1.00 28.62 H new ATOM 0 HA ASN B 709 -13.390 30.735 29.899 1.00 33.31 H new ATOM 0 HB2 ASN B 709 -15.354 30.158 27.904 1.00 35.14 H new ATOM 0 HB3 ASN B 709 -15.274 31.512 28.672 1.00 35.14 H new ATOM 0 HD21 ASN B 709 -12.508 32.703 27.036 1.00 44.76 H new ATOM 0 HD22 ASN B 709 -13.243 32.795 28.329 1.00 44.76 H new ATOM 1609 N LYS B 710 -14.620 28.479 31.189 1.00 30.21 N ATOM 1610 CA LYS B 710 -15.379 27.993 32.300 1.00 33.15 C ATOM 1611 C LYS B 710 -14.675 28.327 33.669 1.00 37.93 C ATOM 1612 O LYS B 710 -13.464 28.606 33.766 1.00 37.27 O ATOM 1613 CB LYS B 710 -15.582 26.490 32.188 1.00 36.99 C ATOM 1614 CG LYS B 710 -16.337 25.993 30.969 1.00 45.09 C ATOM 1615 CD LYS B 710 -17.551 26.840 30.649 1.00 53.44 C ATOM 1616 CE LYS B 710 -18.277 26.331 29.406 1.00 66.44 C ATOM 1617 NZ LYS B 710 -19.522 27.113 29.105 1.00 71.48 N ATOM 0 H LYS B 710 -13.965 27.967 30.970 1.00 30.21 H new ATOM 0 HA LYS B 710 -16.240 28.439 32.281 1.00 33.15 H new ATOM 0 HB2 LYS B 710 -14.710 26.065 32.198 1.00 36.99 H new ATOM 0 HB3 LYS B 710 -16.054 26.188 32.980 1.00 36.99 H new ATOM 0 HG2 LYS B 710 -15.741 25.987 30.204 1.00 45.09 H new ATOM 0 HG3 LYS B 710 -16.617 25.076 31.118 1.00 45.09 H new ATOM 0 HD2 LYS B 710 -18.159 26.835 31.405 1.00 53.44 H new ATOM 0 HD3 LYS B 710 -17.278 27.760 30.511 1.00 53.44 H new ATOM 0 HE2 LYS B 710 -17.678 26.377 28.644 1.00 66.44 H new ATOM 0 HE3 LYS B 710 -18.508 25.397 29.530 1.00 66.44 H new ATOM 0 HZ1 LYS B 710 -19.911 26.783 28.376 1.00 71.48 H new ATOM 0 HZ2 LYS B 710 -20.084 27.054 29.793 1.00 71.48 H new ATOM 0 HZ3 LYS B 710 -19.311 27.967 28.968 1.00 71.48 H new ATOM 1618 N TRP B 711 -15.459 28.304 34.735 1.00 38.16 N ATOM 1619 CA TRP B 711 -15.016 28.719 36.074 1.00 37.59 C ATOM 1620 C TRP B 711 -14.512 27.466 36.777 1.00 33.73 C ATOM 1621 O TRP B 711 -14.643 26.360 36.280 1.00 35.72 O ATOM 1622 CB TRP B 711 -16.215 29.339 36.898 1.00 43.67 C ATOM 1623 CG TRP B 711 -16.951 28.289 37.698 1.00 48.73 C ATOM 1624 CD1 TRP B 711 -17.643 27.195 37.189 1.00 55.11 C ATOM 1625 CD2 TRP B 711 -17.028 28.175 39.143 1.00 55.77 C ATOM 1626 NE1 TRP B 711 -18.131 26.419 38.223 1.00 65.20 N ATOM 1627 CE2 TRP B 711 -17.778 26.983 39.429 1.00 61.48 C ATOM 1628 CE3 TRP B 711 -16.570 28.974 40.227 1.00 57.84 C ATOM 1629 CZ2 TRP B 711 -18.085 26.565 40.770 1.00 60.66 C ATOM 1630 CZ3 TRP B 711 -16.882 28.544 41.576 1.00 55.95 C ATOM 1631 CH2 TRP B 711 -17.622 27.358 41.819 1.00 53.20 C ATOM 0 H TRP B 711 -16.278 28.044 34.709 1.00 38.16 H new ATOM 0 HA TRP B 711 -14.325 29.396 36.006 1.00 37.59 H new ATOM 0 HB2 TRP B 711 -15.876 30.023 37.497 1.00 43.67 H new ATOM 0 HB3 TRP B 711 -16.833 29.775 36.291 1.00 43.67 H new ATOM 0 HD1 TRP B 711 -17.760 27.012 36.285 1.00 55.11 H new ATOM 0 HE1 TRP B 711 -18.585 25.695 38.128 1.00 65.20 H new ATOM 0 HE3 TRP B 711 -16.083 29.752 40.074 1.00 57.84 H new ATOM 0 HZ2 TRP B 711 -18.576 25.792 40.932 1.00 60.66 H new ATOM 0 HZ3 TRP B 711 -16.591 29.056 42.296 1.00 55.95 H new ATOM 0 HH2 TRP B 711 -17.802 27.105 42.696 1.00 53.20 H new ATOM 1632 N GLY B 712 -13.962 27.650 37.983 1.00 33.44 N ATOM 1633 CA GLY B 712 -13.606 26.532 38.829 1.00 34.24 C ATOM 1634 C GLY B 712 -12.252 25.870 38.651 1.00 37.44 C ATOM 1635 O GLY B 712 -11.816 25.654 37.542 1.00 34.78 O ATOM 0 H GLY B 712 -13.791 28.422 38.321 1.00 33.44 H new ATOM 0 HA2 GLY B 712 -13.665 26.832 39.750 1.00 34.24 H new ATOM 0 HA3 GLY B 712 -14.283 25.848 38.709 1.00 34.24 H new ATOM 1636 N ARG B 713 -11.633 25.487 39.767 1.00 35.65 N ATOM 1637 CA ARG B 713 -10.384 24.667 39.765 1.00 36.43 C ATOM 1638 C ARG B 713 -9.255 25.375 38.976 1.00 24.78 C ATOM 1639 O ARG B 713 -8.553 24.766 38.264 1.00 30.89 O ATOM 1640 CB ARG B 713 -10.744 23.295 39.204 1.00 34.37 C ATOM 1641 CG ARG B 713 -9.910 22.159 39.746 1.00 47.03 C ATOM 1642 CD ARG B 713 -10.363 20.789 39.291 1.00 54.31 C ATOM 1643 NE ARG B 713 -11.541 20.240 39.992 1.00 63.87 N ATOM 1644 CZ ARG B 713 -12.806 20.235 39.544 1.00 72.02 C ATOM 1645 NH1 ARG B 713 -13.767 19.693 40.299 1.00 66.60 N ATOM 1646 NH2 ARG B 713 -13.145 20.792 38.369 1.00 85.70 N ATOM 0 H ARG B 713 -11.914 25.688 40.555 1.00 35.65 H new ATOM 0 HA ARG B 713 -10.033 24.558 40.662 1.00 36.43 H new ATOM 0 HB2 ARG B 713 -11.678 23.115 39.394 1.00 34.37 H new ATOM 0 HB3 ARG B 713 -10.651 23.318 38.239 1.00 34.37 H new ATOM 0 HG2 ARG B 713 -8.988 22.290 39.476 1.00 47.03 H new ATOM 0 HG3 ARG B 713 -9.929 22.190 40.715 1.00 47.03 H new ATOM 0 HD2 ARG B 713 -10.562 20.830 38.342 1.00 54.31 H new ATOM 0 HD3 ARG B 713 -9.625 20.169 39.399 1.00 54.31 H new ATOM 0 HE ARG B 713 -11.403 19.888 40.765 1.00 63.87 H new ATOM 0 HH11 ARG B 713 -13.572 19.352 41.064 1.00 66.60 H new ATOM 0 HH12 ARG B 713 -14.580 19.685 40.020 1.00 66.60 H new ATOM 0 HH21 ARG B 713 -12.544 21.165 37.881 1.00 85.70 H new ATOM 0 HH22 ARG B 713 -13.963 20.775 38.105 1.00 85.70 H new ATOM 1647 N LEU B 714 -9.139 26.677 39.124 1.00 26.44 N ATOM 1648 CA LEU B 714 -8.283 27.500 38.373 1.00 23.64 C ATOM 1649 C LEU B 714 -6.884 27.759 38.981 1.00 30.59 C ATOM 1650 O LEU B 714 -6.702 27.897 40.205 1.00 30.59 O ATOM 1651 CB LEU B 714 -8.964 28.839 38.136 1.00 27.90 C ATOM 1652 CG LEU B 714 -10.188 28.850 37.258 1.00 30.67 C ATOM 1653 CD1 LEU B 714 -10.694 30.291 37.232 1.00 32.69 C ATOM 1654 CD2 LEU B 714 -9.901 28.328 35.813 1.00 29.90 C ATOM 0 H LEU B 714 -9.595 27.114 39.708 1.00 26.44 H new ATOM 0 HA LEU B 714 -8.120 27.009 37.553 1.00 23.64 H new ATOM 0 HB2 LEU B 714 -9.211 29.206 38.999 1.00 27.90 H new ATOM 0 HB3 LEU B 714 -8.311 29.442 37.748 1.00 27.90 H new ATOM 0 HG LEU B 714 -10.856 28.245 37.618 1.00 30.67 H new ATOM 0 HD11 LEU B 714 -11.486 30.346 36.675 1.00 32.69 H new ATOM 0 HD12 LEU B 714 -10.913 30.574 38.134 1.00 32.69 H new ATOM 0 HD13 LEU B 714 -10.005 30.870 36.871 1.00 32.69 H new ATOM 0 HD21 LEU B 714 -10.718 28.355 35.291 1.00 29.90 H new ATOM 0 HD22 LEU B 714 -9.230 28.889 35.393 1.00 29.90 H new ATOM 0 HD23 LEU B 714 -9.576 27.415 35.857 1.00 29.90 H new ATOM 1655 N PHE B 715 -5.882 27.867 38.097 1.00 31.10 N ATOM 1656 CA PHE B 715 -4.501 28.168 38.475 1.00 29.75 C ATOM 1657 C PHE B 715 -4.225 29.496 37.866 1.00 31.52 C ATOM 1658 O PHE B 715 -4.489 29.694 36.667 1.00 31.31 O ATOM 1659 CB PHE B 715 -3.575 27.126 37.909 1.00 31.34 C ATOM 1660 CG PHE B 715 -3.646 25.788 38.571 1.00 27.61 C ATOM 1661 CD1 PHE B 715 -4.561 24.841 38.155 1.00 31.47 C ATOM 1662 CD2 PHE B 715 -2.742 25.444 39.559 1.00 34.65 C ATOM 1663 CE1 PHE B 715 -4.600 23.596 38.732 1.00 33.27 C ATOM 1664 CE2 PHE B 715 -2.747 24.201 40.143 1.00 27.85 C ATOM 1665 CZ PHE B 715 -3.680 23.269 39.742 1.00 33.47 C ATOM 0 H PHE B 715 -5.992 27.765 37.250 1.00 31.10 H new ATOM 0 HA PHE B 715 -4.370 28.173 39.436 1.00 29.75 H new ATOM 0 HB2 PHE B 715 -3.773 27.016 36.966 1.00 31.34 H new ATOM 0 HB3 PHE B 715 -2.664 27.454 37.971 1.00 31.34 H new ATOM 0 HD1 PHE B 715 -5.159 25.050 37.474 1.00 31.47 H new ATOM 0 HD2 PHE B 715 -2.114 26.071 39.836 1.00 34.65 H new ATOM 0 HE1 PHE B 715 -5.232 22.972 38.456 1.00 33.27 H new ATOM 0 HE2 PHE B 715 -2.127 23.990 40.803 1.00 27.85 H new ATOM 0 HZ PHE B 715 -3.700 22.428 40.138 1.00 33.47 H new ATOM 1666 N CYS B 716 -3.733 30.434 38.670 1.00 30.81 N ATOM 1667 CA ACYS B 716 -3.484 31.785 38.176 0.64 34.83 C ATOM 1668 CA BCYS B 716 -3.460 31.811 38.242 0.36 35.41 C ATOM 1669 C CYS B 716 -2.027 31.938 37.784 1.00 31.21 C ATOM 1670 O CYS B 716 -1.132 31.412 38.428 1.00 37.37 O ATOM 1671 CB ACYS B 716 -3.929 32.847 39.213 0.64 40.90 C ATOM 1672 CB BCYS B 716 -3.693 32.810 39.407 0.36 40.91 C ATOM 1673 SG ACYS B 716 -5.636 32.568 39.766 0.64 45.60 S ATOM 1674 SG BCYS B 716 -2.400 32.850 40.697 0.36 50.30 S ATOM 0 H ACYS B 716 -3.538 30.311 39.498 0.64 30.81 H new ATOM 0 H BCYS B 716 -3.544 30.289 39.496 0.36 30.81 H new ATOM 0 HA ACYS B 716 -4.018 31.933 37.380 0.64 35.41 H new ATOM 0 HA BCYS B 716 -4.065 32.019 37.513 0.36 35.41 H new ATOM 0 HB2ACYS B 716 -3.333 32.823 39.978 0.64 40.91 H new ATOM 0 HB2BCYS B 716 -3.780 33.701 39.033 0.36 40.91 H new ATOM 0 HB3ACYS B 716 -3.855 33.732 38.823 0.64 40.91 H new ATOM 0 HB3BCYS B 716 -4.540 32.596 39.829 0.36 40.91 H new ATOM 0 HG ACYS B 716 -6.384 32.696 38.837 0.64 50.30 H new ATOM 0 HG BCYS B 716 -1.421 32.281 40.300 0.36 50.30 H new ATOM 1675 N CYS B 717 -1.790 32.678 36.711 1.00 30.78 N ATOM 1676 CA CYS B 717 -0.439 33.008 36.356 1.00 31.65 C ATOM 1677 C CYS B 717 0.062 34.135 37.330 1.00 39.73 C ATOM 1678 O CYS B 717 -0.728 35.099 37.658 1.00 38.07 O ATOM 1679 CB CYS B 717 -0.380 33.442 34.878 1.00 30.69 C ATOM 1680 SG CYS B 717 1.244 34.017 34.202 1.00 28.90 S ATOM 0 H CYS B 717 -2.395 32.992 36.186 1.00 30.78 H new ATOM 0 HA CYS B 717 0.145 32.239 36.448 1.00 31.65 H new ATOM 0 HB2 CYS B 717 -0.678 32.694 34.337 1.00 30.69 H new ATOM 0 HB3 CYS B 717 -1.023 34.157 34.753 1.00 30.69 H new ATOM 1681 N ASP B 718 1.351 34.060 37.715 1.00 39.27 N ATOM 1682 CA ASP B 718 1.968 35.126 38.543 1.00 43.34 C ATOM 1683 C ASP B 718 2.457 36.325 37.778 1.00 43.45 C ATOM 1684 O ASP B 718 2.700 37.368 38.379 1.00 47.16 O ATOM 1685 CB ASP B 718 3.061 34.550 39.441 1.00 47.69 C ATOM 1686 CG ASP B 718 2.484 33.568 40.466 1.00 56.28 C ATOM 1687 OD1 ASP B 718 1.499 33.949 41.135 1.00 65.21 O ATOM 1688 OD2 ASP B 718 2.958 32.406 40.590 1.00 53.40 O ATOM 0 H ASP B 718 1.879 33.412 37.512 1.00 39.27 H new ATOM 0 HA ASP B 718 1.248 35.470 39.095 1.00 43.34 H new ATOM 0 HB2 ASP B 718 3.725 34.099 38.896 1.00 47.69 H new ATOM 0 HB3 ASP B 718 3.516 35.272 39.903 1.00 47.69 H new ATOM 1689 N THR B 719 2.550 36.252 36.461 1.00 41.27 N ATOM 1690 CA THR B 719 3.066 37.393 35.688 1.00 37.76 C ATOM 1691 C THR B 719 2.103 38.044 34.764 1.00 36.76 C ATOM 1692 O THR B 719 2.462 38.992 34.093 1.00 37.88 O ATOM 1693 CB THR B 719 4.371 36.985 34.963 1.00 44.04 C ATOM 1694 OG1 THR B 719 4.200 35.700 34.359 1.00 39.35 O ATOM 1695 CG2 THR B 719 5.519 36.834 36.009 1.00 43.42 C ATOM 0 H THR B 719 2.326 35.566 35.993 1.00 41.27 H new ATOM 0 HA THR B 719 3.246 38.087 36.341 1.00 37.76 H new ATOM 0 HB THR B 719 4.581 37.662 34.300 1.00 44.04 H new ATOM 0 HG1 THR B 719 3.819 35.788 33.616 1.00 39.35 H new ATOM 0 HG21 THR B 719 6.338 36.578 35.556 1.00 43.42 H new ATOM 0 HG22 THR B 719 5.653 37.679 36.467 1.00 43.42 H new ATOM 0 HG23 THR B 719 5.280 36.151 36.655 1.00 43.42 H new ATOM 1696 N CYS B 720 0.879 37.529 34.686 1.00 38.93 N ATOM 1697 CA CYS B 720 -0.177 38.170 33.918 1.00 35.49 C ATOM 1698 C CYS B 720 -1.567 37.842 34.518 1.00 34.20 C ATOM 1699 O CYS B 720 -1.674 37.025 35.419 1.00 32.85 O ATOM 1700 CB CYS B 720 -0.070 37.734 32.456 1.00 37.03 C ATOM 1701 SG CYS B 720 -0.884 36.134 32.011 1.00 32.48 S ATOM 0 H CYS B 720 0.640 36.801 35.076 1.00 38.93 H new ATOM 0 HA CYS B 720 -0.073 39.133 33.960 1.00 35.49 H new ATOM 0 HB2 CYS B 720 -0.451 38.433 31.902 1.00 37.03 H new ATOM 0 HB3 CYS B 720 0.870 37.671 32.226 1.00 37.03 H new ATOM 1702 N PRO B 721 -2.652 38.447 33.993 1.00 36.09 N ATOM 1703 CA PRO B 721 -3.934 38.179 34.637 1.00 39.29 C ATOM 1704 C PRO B 721 -4.631 36.845 34.270 1.00 38.60 C ATOM 1705 O PRO B 721 -5.697 36.559 34.788 1.00 35.82 O ATOM 1706 CB PRO B 721 -4.804 39.360 34.207 1.00 42.83 C ATOM 1707 CG PRO B 721 -4.071 40.091 33.126 1.00 48.27 C ATOM 1708 CD PRO B 721 -2.744 39.446 32.910 1.00 44.07 C ATOM 0 HA PRO B 721 -3.794 38.084 35.592 1.00 39.29 H new ATOM 0 HB2 PRO B 721 -5.665 39.050 33.885 1.00 42.83 H new ATOM 0 HB3 PRO B 721 -4.977 39.948 34.959 1.00 42.83 H new ATOM 0 HG2 PRO B 721 -4.587 40.078 32.305 1.00 48.27 H new ATOM 0 HG3 PRO B 721 -3.954 41.022 33.372 1.00 48.27 H new ATOM 0 HD2 PRO B 721 -2.690 39.028 32.036 1.00 44.07 H new ATOM 0 HD3 PRO B 721 -2.022 40.092 32.961 1.00 44.07 H new ATOM 1709 N ARG B 722 -4.033 36.018 33.411 1.00 34.68 N ATOM 1710 CA ARG B 722 -4.721 34.827 32.921 1.00 31.65 C ATOM 1711 C ARG B 722 -4.835 33.747 33.981 1.00 27.53 C ATOM 1712 O ARG B 722 -4.034 33.624 34.907 1.00 33.00 O ATOM 1713 CB ARG B 722 -4.032 34.305 31.659 1.00 29.21 C ATOM 1714 CG ARG B 722 -4.085 35.261 30.541 1.00 31.58 C ATOM 1715 CD ARG B 722 -3.326 34.687 29.379 1.00 31.36 C ATOM 1716 NE ARG B 722 -3.321 35.509 28.227 1.00 29.77 N ATOM 1717 CZ ARG B 722 -2.407 36.461 28.011 1.00 32.10 C ATOM 1718 NH1 ARG B 722 -1.455 36.721 28.885 1.00 34.96 N ATOM 1719 NH2 ARG B 722 -2.457 37.144 26.898 1.00 32.34 N ATOM 0 H ARG B 722 -3.237 36.128 33.103 1.00 34.68 H new ATOM 0 HA ARG B 722 -5.630 35.082 32.697 1.00 31.65 H new ATOM 0 HB2 ARG B 722 -3.105 34.103 31.862 1.00 29.21 H new ATOM 0 HB3 ARG B 722 -4.451 33.473 31.388 1.00 29.21 H new ATOM 0 HG2 ARG B 722 -5.006 35.433 30.289 1.00 31.58 H new ATOM 0 HG3 ARG B 722 -3.700 36.111 30.807 1.00 31.58 H new ATOM 0 HD2 ARG B 722 -2.410 34.525 29.652 1.00 31.36 H new ATOM 0 HD3 ARG B 722 -3.710 33.826 29.148 1.00 31.36 H new ATOM 0 HE ARG B 722 -3.936 35.391 27.637 1.00 29.77 H new ATOM 0 HH11 ARG B 722 -1.410 36.273 29.618 1.00 34.96 H new ATOM 0 HH12 ARG B 722 -0.879 37.339 28.722 1.00 34.96 H new ATOM 0 HH21 ARG B 722 -3.071 36.978 26.319 1.00 32.34 H new ATOM 0 HH22 ARG B 722 -1.876 37.759 26.745 1.00 32.34 H new ATOM 1720 N SER B 723 -5.855 32.941 33.861 1.00 26.42 N ATOM 1721 CA SER B 723 -6.035 31.786 34.713 1.00 26.85 C ATOM 1722 C SER B 723 -6.337 30.537 33.818 1.00 26.48 C ATOM 1723 O SER B 723 -6.817 30.695 32.709 1.00 28.52 O ATOM 1724 CB SER B 723 -7.229 32.013 35.711 1.00 34.12 C ATOM 1725 OG SER B 723 -6.973 33.110 36.616 1.00 35.97 O ATOM 0 H SER B 723 -6.476 33.045 33.275 1.00 26.42 H new ATOM 0 HA SER B 723 -5.225 31.644 35.228 1.00 26.85 H new ATOM 0 HB2 SER B 723 -8.040 32.190 35.209 1.00 34.12 H new ATOM 0 HB3 SER B 723 -7.382 31.202 36.221 1.00 34.12 H new ATOM 0 HG SER B 723 -7.690 33.520 36.769 1.00 35.97 H new ATOM 1726 N PHE B 724 -6.101 29.330 34.343 1.00 25.04 N ATOM 1727 CA PHE B 724 -6.222 28.115 33.561 1.00 24.38 C ATOM 1728 C PHE B 724 -6.609 26.980 34.373 1.00 23.30 C ATOM 1729 O PHE B 724 -6.126 26.847 35.499 1.00 25.99 O ATOM 1730 CB PHE B 724 -4.823 27.749 32.946 1.00 24.51 C ATOM 1731 CG PHE B 724 -4.254 28.795 32.057 1.00 21.27 C ATOM 1732 CD1 PHE B 724 -3.443 29.847 32.569 1.00 21.63 C ATOM 1733 CD2 PHE B 724 -4.488 28.734 30.656 1.00 23.52 C ATOM 1734 CE1 PHE B 724 -2.924 30.812 31.685 1.00 21.52 C ATOM 1735 CE2 PHE B 724 -3.979 29.676 29.793 1.00 20.34 C ATOM 1736 CZ PHE B 724 -3.184 30.706 30.311 1.00 23.07 C ATOM 0 H PHE B 724 -5.867 29.202 35.161 1.00 25.04 H new ATOM 0 HA PHE B 724 -6.896 28.286 32.885 1.00 24.38 H new ATOM 0 HB2 PHE B 724 -4.198 27.578 33.668 1.00 24.51 H new ATOM 0 HB3 PHE B 724 -4.908 26.924 32.444 1.00 24.51 H new ATOM 0 HD1 PHE B 724 -3.258 29.896 33.479 1.00 21.63 H new ATOM 0 HD2 PHE B 724 -5.000 28.037 30.313 1.00 23.52 H new ATOM 0 HE1 PHE B 724 -2.411 31.516 32.011 1.00 21.52 H new ATOM 0 HE2 PHE B 724 -4.159 29.630 28.882 1.00 20.34 H new ATOM 0 HZ PHE B 724 -2.820 31.334 29.730 1.00 23.07 H new ATOM 1737 N HIS B 725 -7.372 26.052 33.780 1.00 23.49 N ATOM 1738 CA HIS B 725 -7.467 24.727 34.273 1.00 22.34 C ATOM 1739 C HIS B 725 -6.158 23.974 34.091 1.00 27.49 C ATOM 1740 O HIS B 725 -5.408 24.203 33.106 1.00 24.52 O ATOM 1741 CB HIS B 725 -8.606 23.911 33.633 1.00 25.18 C ATOM 1742 CG HIS B 725 -9.962 24.456 33.953 1.00 31.59 C ATOM 1743 ND1 HIS B 725 -10.850 24.857 32.991 1.00 34.82 N ATOM 1744 CD2 HIS B 725 -10.538 24.767 35.151 1.00 30.18 C ATOM 1745 CE1 HIS B 725 -11.925 25.373 33.563 1.00 35.43 C ATOM 1746 NE2 HIS B 725 -11.760 25.324 34.878 1.00 35.52 N ATOM 0 H HIS B 725 -7.843 26.200 33.076 1.00 23.49 H new ATOM 0 HA HIS B 725 -7.668 24.823 35.217 1.00 22.34 H new ATOM 0 HB2 HIS B 725 -8.487 23.897 32.670 1.00 25.18 H new ATOM 0 HB3 HIS B 725 -8.551 22.992 33.939 1.00 25.18 H new ATOM 0 HD2 HIS B 725 -10.170 24.627 35.994 1.00 30.18 H new ATOM 0 HE1 HIS B 725 -12.669 25.712 33.119 1.00 35.43 H new ATOM 0 HE2 HIS B 725 -12.327 25.597 35.464 1.00 35.52 H new ATOM 1747 N GLU B 726 -5.935 22.999 34.973 1.00 27.23 N ATOM 1748 CA GLU B 726 -4.706 22.222 34.937 1.00 31.78 C ATOM 1749 C GLU B 726 -4.362 21.639 33.531 1.00 27.91 C ATOM 1750 O GLU B 726 -3.218 21.722 33.081 1.00 27.60 O ATOM 1751 CB GLU B 726 -4.817 21.038 35.894 1.00 33.85 C ATOM 1752 CG GLU B 726 -3.537 20.246 35.995 1.00 37.70 C ATOM 1753 CD GLU B 726 -3.500 19.322 37.228 1.00 50.23 C ATOM 1754 OE1 GLU B 726 -4.526 19.208 37.951 1.00 50.83 O ATOM 1755 OE2 GLU B 726 -2.441 18.692 37.467 1.00 51.26 O ATOM 0 H GLU B 726 -6.483 22.775 35.597 1.00 27.23 H new ATOM 0 HA GLU B 726 -4.003 22.842 35.188 1.00 31.78 H new ATOM 0 HB2 GLU B 726 -5.063 21.361 36.775 1.00 33.85 H new ATOM 0 HB3 GLU B 726 -5.532 20.453 35.597 1.00 33.85 H new ATOM 0 HG2 GLU B 726 -3.428 19.712 35.193 1.00 37.70 H new ATOM 0 HG3 GLU B 726 -2.785 20.858 36.032 1.00 37.70 H new ATOM 1756 N HIS B 727 -5.330 21.002 32.918 1.00 27.78 N ATOM 1757 CA HIS B 727 -5.159 20.366 31.630 1.00 29.77 C ATOM 1758 C HIS B 727 -5.686 21.144 30.429 1.00 28.03 C ATOM 1759 O HIS B 727 -5.605 20.641 29.297 1.00 24.88 O ATOM 1760 CB HIS B 727 -5.746 18.959 31.673 1.00 33.75 C ATOM 1761 CG HIS B 727 -5.175 18.125 32.766 1.00 38.96 C ATOM 1762 ND1 HIS B 727 -3.859 17.720 32.790 1.00 42.21 N ATOM 1763 CD2 HIS B 727 -5.738 17.627 33.893 1.00 44.70 C ATOM 1764 CE1 HIS B 727 -3.630 17.012 33.884 1.00 44.19 C ATOM 1765 NE2 HIS B 727 -4.758 16.933 34.564 1.00 45.00 N ATOM 0 H HIS B 727 -6.123 20.923 33.242 1.00 27.78 H new ATOM 0 HA HIS B 727 -4.201 20.335 31.482 1.00 29.77 H new ATOM 0 HB2 HIS B 727 -6.708 19.018 31.786 1.00 33.75 H new ATOM 0 HB3 HIS B 727 -5.587 18.521 30.822 1.00 33.75 H new ATOM 0 HD2 HIS B 727 -6.622 17.734 34.163 1.00 44.70 H new ATOM 0 HE1 HIS B 727 -2.816 16.636 34.131 1.00 44.19 H new ATOM 0 HE2 HIS B 727 -4.864 16.515 35.308 1.00 45.00 H new ATOM 1766 N CYS B 728 -6.137 22.374 30.637 1.00 23.65 N ATOM 1767 CA CYS B 728 -6.402 23.311 29.568 1.00 23.74 C ATOM 1768 C CYS B 728 -5.108 23.985 29.173 1.00 23.87 C ATOM 1769 O CYS B 728 -4.856 24.202 27.990 1.00 21.61 O ATOM 1770 CB CYS B 728 -7.509 24.346 29.946 1.00 25.93 C ATOM 1771 SG CYS B 728 -9.197 23.647 29.910 1.00 28.18 S ATOM 0 H CYS B 728 -6.299 22.689 31.421 1.00 23.65 H new ATOM 0 HA CYS B 728 -6.752 22.823 28.806 1.00 23.74 H new ATOM 0 HB2 CYS B 728 -7.329 24.693 30.834 1.00 25.93 H new ATOM 0 HB3 CYS B 728 -7.464 25.097 29.333 1.00 25.93 H new ATOM 1772 N HIS B 729 -4.230 24.260 30.142 1.00 21.52 N ATOM 1773 CA HIS B 729 -2.999 24.899 29.811 1.00 21.37 C ATOM 1774 C HIS B 729 -2.187 23.776 29.100 1.00 21.18 C ATOM 1775 O HIS B 729 -2.392 22.577 29.386 1.00 21.97 O ATOM 1776 CB HIS B 729 -2.270 25.318 31.082 1.00 22.35 C ATOM 1777 CG HIS B 729 -1.059 26.166 30.832 1.00 23.83 C ATOM 1778 ND1 HIS B 729 0.214 25.644 30.698 1.00 24.60 N ATOM 1779 CD2 HIS B 729 -0.947 27.490 30.615 1.00 24.93 C ATOM 1780 CE1 HIS B 729 1.070 26.629 30.469 1.00 24.38 C ATOM 1781 NE2 HIS B 729 0.387 27.750 30.417 1.00 26.05 N ATOM 0 H HIS B 729 -4.342 24.081 30.976 1.00 21.52 H new ATOM 0 HA HIS B 729 -3.120 25.694 29.269 1.00 21.37 H new ATOM 0 HB2 HIS B 729 -2.885 25.806 31.652 1.00 22.35 H new ATOM 0 HB3 HIS B 729 -2.003 24.523 31.569 1.00 22.35 H new ATOM 0 HD1 HIS B 729 0.418 24.811 30.754 1.00 24.60 H new ATOM 0 HD2 HIS B 729 -1.640 28.110 30.602 1.00 24.93 H new ATOM 0 HE1 HIS B 729 1.990 26.542 30.364 1.00 24.38 H new ATOM 1782 N ILE B 730 -1.259 24.172 28.242 1.00 22.60 N ATOM 1783 CA ILE B 730 -0.354 23.245 27.555 1.00 22.85 C ATOM 1784 C ILE B 730 1.039 23.816 27.700 1.00 23.99 C ATOM 1785 O ILE B 730 1.264 24.984 27.356 1.00 24.81 O ATOM 1786 CB ILE B 730 -0.703 23.030 26.059 1.00 22.86 C ATOM 1787 CG1 ILE B 730 -2.144 22.735 25.869 1.00 24.19 C ATOM 1788 CG2 ILE B 730 0.103 21.846 25.472 1.00 27.13 C ATOM 1789 CD1 ILE B 730 -2.606 22.434 24.448 1.00 23.91 C ATOM 0 H ILE B 730 -1.131 24.997 28.035 1.00 22.60 H new ATOM 0 HA ILE B 730 -0.434 22.366 27.958 1.00 22.85 H new ATOM 0 HB ILE B 730 -0.477 23.855 25.602 1.00 22.86 H new ATOM 0 HG12 ILE B 730 -2.373 21.976 26.428 1.00 24.19 H new ATOM 0 HG13 ILE B 730 -2.653 23.493 26.198 1.00 24.19 H new ATOM 0 HG21 ILE B 730 -0.129 21.728 24.538 1.00 27.13 H new ATOM 0 HG22 ILE B 730 1.052 22.031 25.548 1.00 27.13 H new ATOM 0 HG23 ILE B 730 -0.108 21.036 25.962 1.00 27.13 H new ATOM 0 HD11 ILE B 730 -3.560 22.258 24.448 1.00 23.91 H new ATOM 0 HD12 ILE B 730 -2.418 23.196 23.878 1.00 23.91 H new ATOM 0 HD13 ILE B 730 -2.134 21.656 24.112 1.00 23.91 H new ATOM 1790 N PRO B 731 2.005 23.027 28.181 1.00 24.76 N ATOM 1791 CA PRO B 731 1.826 21.754 28.892 1.00 26.71 C ATOM 1792 C PRO B 731 0.996 21.918 30.163 1.00 27.26 C ATOM 1793 O PRO B 731 0.813 23.049 30.618 1.00 26.54 O ATOM 1794 CB PRO B 731 3.255 21.367 29.317 1.00 31.65 C ATOM 1795 CG PRO B 731 4.146 22.534 28.986 1.00 32.77 C ATOM 1796 CD PRO B 731 3.358 23.609 28.301 1.00 30.16 C ATOM 0 HA PRO B 731 1.372 21.105 28.332 1.00 26.71 H new ATOM 0 HB2 PRO B 731 3.289 21.168 30.266 1.00 31.65 H new ATOM 0 HB3 PRO B 731 3.547 20.569 28.850 1.00 31.65 H new ATOM 0 HG2 PRO B 731 4.546 22.884 29.797 1.00 32.77 H new ATOM 0 HG3 PRO B 731 4.873 22.242 28.414 1.00 32.77 H new ATOM 0 HD2 PRO B 731 3.349 24.429 28.819 1.00 30.16 H new ATOM 0 HD3 PRO B 731 3.731 23.826 27.432 1.00 30.16 H new ATOM 1797 N SER B 732 0.496 20.822 30.704 1.00 26.67 N ATOM 1798 CA SER B 732 -0.284 20.874 31.956 1.00 30.03 C ATOM 1799 C SER B 732 0.402 21.662 33.070 1.00 31.96 C ATOM 1800 O SER B 732 1.640 21.768 33.153 1.00 31.32 O ATOM 1801 CB SER B 732 -0.498 19.500 32.464 1.00 33.01 C ATOM 1802 OG SER B 732 -1.402 18.877 31.638 1.00 40.74 O ATOM 0 H SER B 732 0.590 20.034 30.373 1.00 26.67 H new ATOM 0 HA SER B 732 -1.115 21.321 31.732 1.00 30.03 H new ATOM 0 HB2 SER B 732 0.339 19.011 32.481 1.00 33.01 H new ATOM 0 HB3 SER B 732 -0.831 19.523 33.375 1.00 33.01 H new ATOM 0 HG SER B 732 -2.049 18.595 32.093 1.00 40.74 H new ATOM 1803 N VAL B 733 -0.407 22.313 33.879 1.00 31.72 N ATOM 1804 CA VAL B 733 0.134 23.262 34.849 1.00 33.22 C ATOM 1805 C VAL B 733 0.994 22.446 35.812 1.00 35.32 C ATOM 1806 O VAL B 733 0.591 21.326 36.145 1.00 34.11 O ATOM 1807 CB VAL B 733 -0.990 23.969 35.639 1.00 29.01 C ATOM 1808 CG1 VAL B 733 -0.440 24.840 36.752 1.00 31.09 C ATOM 1809 CG2 VAL B 733 -1.810 24.858 34.713 1.00 27.30 C ATOM 0 H VAL B 733 -1.263 22.227 33.890 1.00 31.72 H new ATOM 0 HA VAL B 733 0.642 23.952 34.395 1.00 33.22 H new ATOM 0 HB VAL B 733 -1.541 23.270 36.024 1.00 29.01 H new ATOM 0 HG11 VAL B 733 -1.174 25.265 37.223 1.00 31.09 H new ATOM 0 HG12 VAL B 733 0.067 24.292 37.371 1.00 31.09 H new ATOM 0 HG13 VAL B 733 0.139 25.521 36.374 1.00 31.09 H new ATOM 0 HG21 VAL B 733 -2.511 25.295 35.221 1.00 27.30 H new ATOM 0 HG22 VAL B 733 -1.234 25.529 34.314 1.00 27.30 H new ATOM 0 HG23 VAL B 733 -2.208 24.317 34.013 1.00 27.30 H new ATOM 1810 N GLU B 734 2.176 22.971 36.176 1.00 42.06 N ATOM 1811 CA GLU B 734 3.002 22.409 37.303 1.00 52.94 C ATOM 1812 C GLU B 734 2.414 22.952 38.615 1.00 50.95 C ATOM 1813 O GLU B 734 2.617 24.134 38.984 1.00 51.33 O ATOM 1814 CB GLU B 734 4.462 22.814 37.210 1.00 59.85 C ATOM 1815 CG GLU B 734 5.150 22.355 35.944 1.00 70.72 C ATOM 1816 CD GLU B 734 5.108 23.367 34.820 1.00 83.97 C ATOM 1817 OE1 GLU B 734 4.991 24.580 35.109 1.00 99.97 O ATOM 1818 OE2 GLU B 734 5.197 22.946 33.637 1.00105.34 O ATOM 0 H GLU B 734 2.530 23.654 35.791 1.00 42.06 H new ATOM 0 HA GLU B 734 2.972 21.440 37.260 1.00 52.94 H new ATOM 0 HB2 GLU B 734 4.524 23.780 37.268 1.00 59.85 H new ATOM 0 HB3 GLU B 734 4.937 22.453 37.974 1.00 59.85 H new ATOM 0 HG2 GLU B 734 6.076 22.148 36.147 1.00 70.72 H new ATOM 0 HG3 GLU B 734 4.735 21.532 35.642 1.00 70.72 H new ATOM 1819 N ALA B 735 1.619 22.105 39.266 1.00 53.28 N ATOM 1820 CA ALA B 735 0.872 22.453 40.484 1.00 64.77 C ATOM 1821 C ALA B 735 1.816 22.791 41.666 1.00 68.87 C ATOM 1822 O ALA B 735 1.546 23.710 42.468 1.00 71.32 O ATOM 1823 CB ALA B 735 -0.087 21.301 40.847 1.00 63.11 C ATOM 0 H ALA B 735 1.494 21.294 39.010 1.00 53.28 H new ATOM 0 HA ALA B 735 0.354 23.254 40.306 1.00 64.77 H new ATOM 0 HB1 ALA B 735 -0.580 21.531 41.650 1.00 63.11 H new ATOM 0 HB2 ALA B 735 -0.709 21.156 40.117 1.00 63.11 H new ATOM 0 HB3 ALA B 735 0.424 20.491 41.002 1.00 63.11 H new ATOM 1824 N ASN B 736 2.908 22.026 41.732 1.00 65.80 N ATOM 1825 CA ASN B 736 4.043 22.245 42.629 1.00 77.04 C ATOM 1826 C ASN B 736 4.730 23.629 42.612 1.00 82.03 C ATOM 1827 O ASN B 736 5.350 23.985 43.617 1.00 82.85 O ATOM 1828 CB ASN B 736 5.129 21.205 42.297 1.00 84.40 C ATOM 1829 CG ASN B 736 5.664 21.350 40.861 1.00 89.29 C ATOM 1830 OD1 ASN B 736 4.959 21.055 39.886 1.00 87.73 O ATOM 1831 ND2 ASN B 736 6.897 21.835 40.728 1.00 93.09 N ATOM 0 H ASN B 736 3.011 21.334 41.232 1.00 65.80 H new ATOM 0 HA ASN B 736 3.649 22.171 43.512 1.00 77.04 H new ATOM 0 HB2 ASN B 736 5.864 21.297 42.924 1.00 84.40 H new ATOM 0 HB3 ASN B 736 4.766 20.313 42.415 1.00 84.40 H new ATOM 0 HD21 ASN B 736 7.230 21.954 39.944 1.00 93.09 H new ATOM 0 HD22 ASN B 736 7.360 22.030 41.426 1.00 93.09 H new ATOM 1832 N LYS B 737 4.652 24.379 41.494 1.00 84.78 N ATOM 1833 CA LYS B 737 5.527 25.566 41.236 1.00 83.49 C ATOM 1834 C LYS B 737 4.991 26.902 41.746 1.00 79.93 C ATOM 1835 O LYS B 737 3.788 27.134 41.743 1.00 71.64 O ATOM 1836 CB LYS B 737 5.860 25.703 39.737 1.00 81.08 C ATOM 1837 CG LYS B 737 7.137 24.974 39.320 1.00 88.17 C ATOM 1838 CD LYS B 737 7.790 25.562 38.078 1.00 92.23 C ATOM 1839 CE LYS B 737 8.055 27.050 38.238 1.00 96.39 C ATOM 1840 NZ LYS B 737 9.206 27.535 37.442 1.00100.03 N ATOM 0 H LYS B 737 4.093 24.220 40.860 1.00 84.78 H new ATOM 0 HA LYS B 737 6.325 25.376 41.753 1.00 83.49 H new ATOM 0 HB2 LYS B 737 5.117 25.360 39.216 1.00 81.08 H new ATOM 0 HB3 LYS B 737 5.949 26.644 39.519 1.00 81.08 H new ATOM 0 HG2 LYS B 737 7.771 25.000 40.054 1.00 88.17 H new ATOM 0 HG3 LYS B 737 6.930 24.040 39.157 1.00 88.17 H new ATOM 0 HD2 LYS B 737 8.625 25.101 37.901 1.00 92.23 H new ATOM 0 HD3 LYS B 737 7.217 25.415 37.310 1.00 92.23 H new ATOM 0 HE2 LYS B 737 7.261 27.542 37.978 1.00 96.39 H new ATOM 0 HE3 LYS B 737 8.215 27.244 39.175 1.00 96.39 H new ATOM 0 HZ1 LYS B 737 9.312 28.409 37.575 1.00100.03 H new ATOM 0 HZ2 LYS B 737 9.943 27.105 37.694 1.00100.03 H new ATOM 0 HZ3 LYS B 737 9.055 27.383 36.578 1.00100.03 H new ATOM 1841 N ASN B 738 5.897 27.784 42.177 1.00 83.12 N ATOM 1842 CA ASN B 738 5.502 29.048 42.802 1.00 78.91 C ATOM 1843 C ASN B 738 6.695 30.016 42.956 1.00 75.99 C ATOM 1844 O ASN B 738 7.434 29.913 43.916 1.00 85.31 O ATOM 1845 CB ASN B 738 4.801 28.792 44.155 1.00 85.86 C ATOM 1846 CG ASN B 738 3.661 29.764 44.409 1.00 90.65 C ATOM 1847 OD1 ASN B 738 3.850 30.976 44.359 1.00109.86 O ATOM 1848 ND2 ASN B 738 2.475 29.240 44.641 1.00 86.41 N ATOM 0 H ASN B 738 6.747 27.668 42.116 1.00 83.12 H new ATOM 0 HA ASN B 738 4.867 29.481 42.210 1.00 78.91 H new ATOM 0 HB2 ASN B 738 4.459 27.884 44.173 1.00 85.86 H new ATOM 0 HB3 ASN B 738 5.450 28.864 44.872 1.00 85.86 H new ATOM 0 HD21 ASN B 738 1.795 29.752 44.765 1.00 86.41 H new ATOM 0 HD22 ASN B 738 2.380 28.386 44.669 1.00 86.41 H new ATOM 1849 N PRO B 739 6.871 30.984 42.059 1.00 64.76 N ATOM 1850 CA PRO B 739 5.850 31.410 41.121 1.00 58.69 C ATOM 1851 C PRO B 739 5.798 30.539 39.849 1.00 50.75 C ATOM 1852 O PRO B 739 6.763 29.840 39.511 1.00 51.80 O ATOM 1853 CB PRO B 739 6.253 32.860 40.812 1.00 60.08 C ATOM 1854 CG PRO B 739 7.738 32.856 40.909 1.00 61.07 C ATOM 1855 CD PRO B 739 8.071 31.833 41.977 1.00 60.82 C ATOM 0 HA PRO B 739 4.955 31.328 41.485 1.00 58.69 H new ATOM 0 HB2 PRO B 739 5.956 33.129 39.929 1.00 60.08 H new ATOM 0 HB3 PRO B 739 5.858 33.480 41.445 1.00 60.08 H new ATOM 0 HG2 PRO B 739 8.143 32.619 40.060 1.00 61.07 H new ATOM 0 HG3 PRO B 739 8.075 33.734 41.149 1.00 61.07 H new ATOM 0 HD2 PRO B 739 8.855 31.315 41.738 1.00 60.82 H new ATOM 0 HD3 PRO B 739 8.261 32.259 42.827 1.00 60.82 H new ATOM 1856 N TRP B 740 4.627 30.549 39.222 1.00 44.22 N ATOM 1857 CA TRP B 740 4.334 29.847 37.954 1.00 39.47 C ATOM 1858 C TRP B 740 3.930 30.916 36.951 1.00 35.73 C ATOM 1859 O TRP B 740 3.116 31.821 37.267 1.00 37.80 O ATOM 1860 CB TRP B 740 3.188 28.869 38.169 1.00 39.68 C ATOM 1861 CG TRP B 740 2.813 28.156 36.918 1.00 36.70 C ATOM 1862 CD1 TRP B 740 3.478 27.121 36.359 1.00 35.81 C ATOM 1863 CD2 TRP B 740 1.692 28.428 36.080 1.00 29.43 C ATOM 1864 NE1 TRP B 740 2.864 26.743 35.213 1.00 33.70 N ATOM 1865 CE2 TRP B 740 1.762 27.538 35.006 1.00 30.79 C ATOM 1866 CE3 TRP B 740 0.633 29.357 36.133 1.00 34.33 C ATOM 1867 CZ2 TRP B 740 0.790 27.521 33.956 1.00 29.63 C ATOM 1868 CZ3 TRP B 740 -0.333 29.346 35.142 1.00 29.92 C ATOM 1869 CH2 TRP B 740 -0.252 28.395 34.069 1.00 31.56 C ATOM 0 H TRP B 740 3.948 30.979 39.528 1.00 44.22 H new ATOM 0 HA TRP B 740 5.102 29.346 37.637 1.00 39.47 H new ATOM 0 HB2 TRP B 740 3.441 28.221 38.845 1.00 39.68 H new ATOM 0 HB3 TRP B 740 2.416 29.348 38.510 1.00 39.68 H new ATOM 0 HD1 TRP B 740 4.244 26.727 36.709 1.00 35.81 H new ATOM 0 HE1 TRP B 740 3.123 26.106 34.696 1.00 33.70 H new ATOM 0 HE3 TRP B 740 0.584 29.972 36.828 1.00 34.33 H new ATOM 0 HZ2 TRP B 740 0.865 26.942 33.232 1.00 29.63 H new ATOM 0 HZ3 TRP B 740 -1.035 29.955 35.171 1.00 29.92 H new ATOM 0 HH2 TRP B 740 -0.930 28.374 33.432 1.00 31.56 H new ATOM 1870 N SER B 741 4.524 30.861 35.768 1.00 28.83 N ATOM 1871 CA SER B 741 4.190 31.719 34.657 1.00 30.01 C ATOM 1872 C SER B 741 3.610 30.812 33.594 1.00 30.91 C ATOM 1873 O SER B 741 4.202 29.742 33.300 1.00 27.95 O ATOM 1874 CB SER B 741 5.418 32.363 34.064 1.00 32.14 C ATOM 1875 OG SER B 741 5.781 33.495 34.763 1.00 39.76 O ATOM 0 H SER B 741 5.153 30.303 35.589 1.00 28.83 H new ATOM 0 HA SER B 741 3.586 32.418 34.954 1.00 30.01 H new ATOM 0 HB2 SER B 741 6.152 31.729 34.069 1.00 32.14 H new ATOM 0 HB3 SER B 741 5.249 32.594 33.137 1.00 32.14 H new ATOM 0 HG SER B 741 5.241 34.115 34.592 1.00 39.76 H new ATOM 1876 N CYS B 742 2.574 31.319 32.929 1.00 27.03 N ATOM 1877 CA CYS B 742 1.912 30.618 31.866 1.00 25.81 C ATOM 1878 C CYS B 742 2.687 30.698 30.550 1.00 24.49 C ATOM 1879 O CYS B 742 3.623 31.485 30.384 1.00 24.43 O ATOM 1880 CB CYS B 742 0.528 31.265 31.703 1.00 25.21 C ATOM 1881 SG CYS B 742 0.399 32.774 30.742 1.00 27.17 S ATOM 0 H CYS B 742 2.240 32.094 33.095 1.00 27.03 H new ATOM 0 HA CYS B 742 1.846 29.676 32.087 1.00 25.81 H new ATOM 0 HB2 CYS B 742 -0.060 30.607 31.300 1.00 25.21 H new ATOM 0 HB3 CYS B 742 0.182 31.449 32.590 1.00 25.21 H new ATOM 1882 N ILE B 743 2.161 30.005 29.552 1.00 25.08 N ATOM 1883 CA ILE B 743 2.781 29.907 28.275 1.00 24.07 C ATOM 1884 C ILE B 743 2.750 31.221 27.492 1.00 26.08 C ATOM 1885 O ILE B 743 3.681 31.531 26.751 1.00 22.73 O ATOM 1886 CB ILE B 743 2.232 28.779 27.485 1.00 26.70 C ATOM 1887 CG1 ILE B 743 3.139 28.546 26.246 1.00 27.12 C ATOM 1888 CG2 ILE B 743 0.788 28.985 27.077 1.00 25.18 C ATOM 1889 CD1 ILE B 743 2.927 27.195 25.635 1.00 30.41 C ATOM 0 H ILE B 743 1.419 29.575 29.613 1.00 25.08 H new ATOM 0 HA ILE B 743 3.718 29.718 28.442 1.00 24.07 H new ATOM 0 HB ILE B 743 2.231 27.990 28.049 1.00 26.70 H new ATOM 0 HG12 ILE B 743 2.960 29.231 25.583 1.00 27.12 H new ATOM 0 HG13 ILE B 743 4.069 28.639 26.506 1.00 27.12 H new ATOM 0 HG21 ILE B 743 0.484 28.219 26.565 1.00 25.18 H new ATOM 0 HG22 ILE B 743 0.238 29.082 27.870 1.00 25.18 H new ATOM 0 HG23 ILE B 743 0.716 29.786 26.534 1.00 25.18 H new ATOM 0 HD11 ILE B 743 3.511 27.092 24.867 1.00 30.41 H new ATOM 0 HD12 ILE B 743 3.129 26.508 26.289 1.00 30.41 H new ATOM 0 HD13 ILE B 743 2.003 27.109 25.352 1.00 30.41 H new ATOM 1890 N PHE B 744 1.715 32.030 27.667 1.00 24.79 N ATOM 1891 CA PHE B 744 1.748 33.358 26.995 1.00 23.07 C ATOM 1892 C PHE B 744 2.938 34.189 27.463 1.00 25.32 C ATOM 1893 O PHE B 744 3.603 34.831 26.674 1.00 26.49 O ATOM 1894 CB PHE B 744 0.450 34.169 27.274 1.00 27.00 C ATOM 1895 CG PHE B 744 -0.809 33.577 26.691 1.00 23.93 C ATOM 1896 CD1 PHE B 744 -1.426 32.474 27.232 1.00 24.98 C ATOM 1897 CD2 PHE B 744 -1.355 34.107 25.565 1.00 25.62 C ATOM 1898 CE1 PHE B 744 -2.576 31.924 26.648 1.00 24.12 C ATOM 1899 CE2 PHE B 744 -2.503 33.596 25.007 1.00 25.00 C ATOM 1900 CZ PHE B 744 -3.123 32.505 25.541 1.00 24.41 C ATOM 0 H PHE B 744 1.016 31.860 28.138 1.00 24.79 H new ATOM 0 HA PHE B 744 1.825 33.181 26.044 1.00 23.07 H new ATOM 0 HB2 PHE B 744 0.337 34.253 28.234 1.00 27.00 H new ATOM 0 HB3 PHE B 744 0.563 35.066 26.922 1.00 27.00 H new ATOM 0 HD1 PHE B 744 -1.074 32.085 28.000 1.00 24.98 H new ATOM 0 HD2 PHE B 744 -0.941 34.835 25.161 1.00 25.62 H new ATOM 0 HE1 PHE B 744 -2.966 31.164 27.015 1.00 24.12 H new ATOM 0 HE2 PHE B 744 -2.863 34.002 24.252 1.00 25.00 H new ATOM 0 HZ PHE B 744 -3.900 32.165 25.160 1.00 24.41 H new ATOM 1901 N CYS B 745 3.136 34.236 28.780 1.00 25.56 N ATOM 1902 CA CYS B 745 4.244 34.900 29.413 1.00 29.22 C ATOM 1903 C CYS B 745 5.626 34.329 28.984 1.00 31.71 C ATOM 1904 O CYS B 745 6.546 35.050 28.672 1.00 28.42 O ATOM 1905 CB CYS B 745 4.082 34.779 30.908 1.00 29.13 C ATOM 1906 SG CYS B 745 2.774 35.877 31.538 1.00 34.79 S ATOM 0 H CYS B 745 2.601 33.864 29.341 1.00 25.56 H new ATOM 0 HA CYS B 745 4.233 35.828 29.132 1.00 29.22 H new ATOM 0 HB2 CYS B 745 3.871 33.860 31.137 1.00 29.13 H new ATOM 0 HB3 CYS B 745 4.922 34.994 31.343 1.00 29.13 H new ATOM 1907 N ARG B 746 5.745 33.021 28.977 1.00 26.81 N ATOM 1908 CA ARG B 746 6.987 32.372 28.518 1.00 25.33 C ATOM 1909 C ARG B 746 7.366 32.603 27.084 1.00 28.00 C ATOM 1910 O ARG B 746 8.543 32.705 26.772 1.00 29.11 O ATOM 1911 CB ARG B 746 6.892 30.877 28.795 1.00 28.64 C ATOM 1912 CG ARG B 746 6.969 30.590 30.279 1.00 30.74 C ATOM 1913 CD ARG B 746 6.602 29.144 30.564 1.00 33.40 C ATOM 1914 NE ARG B 746 7.609 28.218 30.042 1.00 35.34 N ATOM 1915 CZ ARG B 746 7.511 26.879 30.063 1.00 36.09 C ATOM 1916 NH1 ARG B 746 6.423 26.261 30.524 1.00 34.11 N ATOM 1917 NH2 ARG B 746 8.535 26.154 29.606 1.00 35.74 N ATOM 0 H ARG B 746 5.128 32.478 29.231 1.00 26.81 H new ATOM 0 HA ARG B 746 7.699 32.795 29.023 1.00 25.33 H new ATOM 0 HB2 ARG B 746 6.058 30.532 28.439 1.00 28.64 H new ATOM 0 HB3 ARG B 746 7.610 30.414 28.336 1.00 28.64 H new ATOM 0 HG2 ARG B 746 7.865 30.771 30.602 1.00 30.74 H new ATOM 0 HG3 ARG B 746 6.369 31.182 30.759 1.00 30.74 H new ATOM 0 HD2 ARG B 746 6.509 29.016 31.521 1.00 33.40 H new ATOM 0 HD3 ARG B 746 5.740 28.944 30.166 1.00 33.40 H new ATOM 0 HE ARG B 746 8.318 28.558 29.695 1.00 35.34 H new ATOM 0 HH11 ARG B 746 5.759 26.722 30.819 1.00 34.11 H new ATOM 0 HH12 ARG B 746 6.385 25.402 30.527 1.00 34.11 H new ATOM 0 HH21 ARG B 746 9.239 26.546 29.306 1.00 35.74 H new ATOM 0 HH22 ARG B 746 8.490 25.295 29.612 1.00 35.74 H new ATOM 1918 N ILE B 747 6.378 32.602 26.197 1.00 26.52 N ATOM 1919 CA ILE B 747 6.545 32.914 24.814 1.00 25.75 C ATOM 1920 C ILE B 747 6.954 34.387 24.643 1.00 30.22 C ATOM 1921 O ILE B 747 7.853 34.694 23.877 1.00 28.84 O ATOM 1922 CB ILE B 747 5.259 32.589 24.037 1.00 27.15 C ATOM 1923 CG1 ILE B 747 5.077 31.063 23.895 1.00 30.56 C ATOM 1924 CG2 ILE B 747 5.241 33.219 22.662 1.00 28.26 C ATOM 1925 CD1 ILE B 747 6.044 30.425 22.912 1.00 32.08 C ATOM 0 H ILE B 747 5.566 32.410 26.406 1.00 26.52 H new ATOM 0 HA ILE B 747 7.258 32.367 24.449 1.00 25.75 H new ATOM 0 HB ILE B 747 4.526 32.963 24.551 1.00 27.15 H new ATOM 0 HG12 ILE B 747 5.191 30.649 24.765 1.00 30.56 H new ATOM 0 HG13 ILE B 747 4.168 30.878 23.610 1.00 30.56 H new ATOM 0 HG21 ILE B 747 4.414 32.988 22.211 1.00 28.26 H new ATOM 0 HG22 ILE B 747 5.304 34.183 22.747 1.00 28.26 H new ATOM 0 HG23 ILE B 747 5.994 32.891 22.146 1.00 28.26 H new ATOM 0 HD11 ILE B 747 5.879 29.470 22.869 1.00 32.08 H new ATOM 0 HD12 ILE B 747 5.917 30.815 22.033 1.00 32.08 H new ATOM 0 HD13 ILE B 747 6.955 30.582 23.206 1.00 32.08 H new ATOM 1926 N LYS B 748 6.324 35.283 25.364 1.00 31.61 N ATOM 1927 CA LYS B 748 6.667 36.715 25.273 1.00 37.15 C ATOM 1928 C LYS B 748 8.133 36.959 25.718 1.00 34.38 C ATOM 1929 O LYS B 748 8.848 37.724 25.071 1.00 32.99 O ATOM 1930 CB LYS B 748 5.706 37.520 26.111 1.00 41.45 C ATOM 1931 CG LYS B 748 5.920 39.031 26.015 1.00 52.60 C ATOM 1932 CD LYS B 748 4.871 39.776 26.825 1.00 61.41 C ATOM 1933 CE LYS B 748 5.024 39.489 28.311 1.00 65.96 C ATOM 1934 NZ LYS B 748 4.159 40.378 29.137 1.00 83.15 N ATOM 0 H LYS B 748 5.692 35.100 25.918 1.00 31.61 H new ATOM 0 HA LYS B 748 6.590 37.001 24.349 1.00 37.15 H new ATOM 0 HB2 LYS B 748 4.799 37.312 25.837 1.00 41.45 H new ATOM 0 HB3 LYS B 748 5.792 37.248 27.038 1.00 41.45 H new ATOM 0 HG2 LYS B 748 6.806 39.258 26.338 1.00 52.60 H new ATOM 0 HG3 LYS B 748 5.877 39.310 25.087 1.00 52.60 H new ATOM 0 HD2 LYS B 748 4.952 40.729 26.666 1.00 61.41 H new ATOM 0 HD3 LYS B 748 3.984 39.514 26.531 1.00 61.41 H new ATOM 0 HE2 LYS B 748 4.797 38.562 28.487 1.00 65.96 H new ATOM 0 HE3 LYS B 748 5.951 39.608 28.570 1.00 65.96 H new ATOM 0 HZ1 LYS B 748 4.272 40.185 29.999 1.00 83.15 H new ATOM 0 HZ2 LYS B 748 4.382 41.227 28.992 1.00 83.15 H new ATOM 0 HZ3 LYS B 748 3.306 40.253 28.915 1.00 83.15 H new ATOM 1935 N THR B 749 8.564 36.321 26.799 1.00 31.79 N ATOM 1936 CA THR B 749 9.946 36.363 27.240 1.00 35.05 C ATOM 1937 C THR B 749 10.950 36.004 26.135 1.00 40.07 C ATOM 1938 O THR B 749 11.905 36.721 25.917 1.00 44.31 O ATOM 1939 CB THR B 749 10.167 35.505 28.510 1.00 38.21 C ATOM 1940 OG1 THR B 749 9.498 36.129 29.608 1.00 40.76 O ATOM 1941 CG2 THR B 749 11.612 35.451 28.893 1.00 40.27 C ATOM 0 H THR B 749 8.053 35.846 27.302 1.00 31.79 H new ATOM 0 HA THR B 749 10.122 37.289 27.470 1.00 35.05 H new ATOM 0 HB THR B 749 9.835 34.614 28.319 1.00 38.21 H new ATOM 0 HG1 THR B 749 9.611 35.670 30.302 1.00 40.76 H new ATOM 0 HG21 THR B 749 11.716 34.908 29.690 1.00 40.27 H new ATOM 0 HG22 THR B 749 12.125 35.062 28.168 1.00 40.27 H new ATOM 0 HG23 THR B 749 11.934 36.349 29.070 1.00 40.27 H new ATOM 1942 N ILE B 750 10.689 34.924 25.427 1.00 37.44 N ATOM 1943 CA ILE B 750 11.451 34.509 24.274 1.00 39.04 C ATOM 1944 C ILE B 750 11.420 35.518 23.127 1.00 40.05 C ATOM 1945 O ILE B 750 12.468 35.770 22.491 1.00 39.24 O ATOM 1946 CB ILE B 750 10.948 33.142 23.747 1.00 37.85 C ATOM 1947 CG1 ILE B 750 11.260 32.052 24.780 1.00 40.92 C ATOM 1948 CG2 ILE B 750 11.543 32.827 22.377 1.00 36.36 C ATOM 1949 CD1 ILE B 750 10.512 30.778 24.492 1.00 41.04 C ATOM 0 H ILE B 750 10.038 34.393 25.613 1.00 37.44 H new ATOM 0 HA ILE B 750 12.369 34.440 24.581 1.00 39.04 H new ATOM 0 HB ILE B 750 9.986 33.178 23.625 1.00 37.85 H new ATOM 0 HG12 ILE B 750 12.213 31.873 24.784 1.00 40.92 H new ATOM 0 HG13 ILE B 750 11.027 32.370 25.666 1.00 40.92 H new ATOM 0 HG21 ILE B 750 11.213 31.968 22.070 1.00 36.36 H new ATOM 0 HG22 ILE B 750 11.284 33.516 21.745 1.00 36.36 H new ATOM 0 HG23 ILE B 750 12.510 32.796 22.443 1.00 36.36 H new ATOM 0 HD11 ILE B 750 10.733 30.114 25.163 1.00 41.04 H new ATOM 0 HD12 ILE B 750 9.558 30.951 24.511 1.00 41.04 H new ATOM 0 HD13 ILE B 750 10.762 30.447 23.615 1.00 41.04 H new ATOM 1950 N GLN B 751 10.251 36.061 22.846 1.00 35.55 N ATOM 1951 CA GLN B 751 10.079 37.020 21.762 1.00 38.69 C ATOM 1952 C GLN B 751 10.874 38.304 22.028 1.00 37.75 C ATOM 1953 O GLN B 751 11.481 38.844 21.132 1.00 40.58 O ATOM 1954 CB GLN B 751 8.598 37.325 21.500 1.00 41.16 C ATOM 1955 CG GLN B 751 7.902 36.097 20.916 1.00 48.98 C ATOM 1956 CD GLN B 751 6.414 36.286 20.577 1.00 54.03 C ATOM 1957 OE1 GLN B 751 5.679 37.066 21.216 1.00 52.91 O ATOM 1958 NE2 GLN B 751 5.961 35.541 19.569 1.00 56.57 N ATOM 0 H GLN B 751 9.528 35.886 23.278 1.00 35.55 H new ATOM 0 HA GLN B 751 10.434 36.612 20.957 1.00 38.69 H new ATOM 0 HB2 GLN B 751 8.164 37.589 22.326 1.00 41.16 H new ATOM 0 HB3 GLN B 751 8.518 38.072 20.887 1.00 41.16 H new ATOM 0 HG2 GLN B 751 8.371 35.830 20.110 1.00 48.98 H new ATOM 0 HG3 GLN B 751 7.985 35.365 21.548 1.00 48.98 H new ATOM 0 HE21 GLN B 751 6.496 35.014 19.150 1.00 56.57 H new ATOM 0 HE22 GLN B 751 5.134 35.588 19.338 1.00 56.57 H new ATOM 1959 N GLU B 752 10.909 38.717 23.280 1.00 40.78 N ATOM 1960 CA GLU B 752 11.483 40.010 23.669 1.00 46.02 C ATOM 1961 C GLU B 752 12.990 39.969 23.923 1.00 52.46 C ATOM 1962 O GLU B 752 13.573 41.041 24.200 1.00 43.44 O ATOM 1963 CB GLU B 752 10.799 40.513 24.932 1.00 50.51 C ATOM 1964 CG GLU B 752 9.379 40.953 24.630 1.00 53.19 C ATOM 1965 CD GLU B 752 8.631 41.370 25.848 1.00 64.87 C ATOM 1966 OE1 GLU B 752 9.071 41.009 26.978 1.00 65.54 O ATOM 1967 OE2 GLU B 752 7.586 42.037 25.647 1.00 81.45 O ATOM 0 H GLU B 752 10.601 38.259 23.939 1.00 40.78 H new ATOM 0 HA GLU B 752 11.334 40.604 22.917 1.00 46.02 H new ATOM 0 HB2 GLU B 752 10.790 39.812 25.602 1.00 50.51 H new ATOM 0 HB3 GLU B 752 11.301 41.255 25.304 1.00 50.51 H new ATOM 0 HG2 GLU B 752 9.401 41.691 24.001 1.00 53.19 H new ATOM 0 HG3 GLU B 752 8.905 40.226 24.198 1.00 53.19 H new ATOM 1968 N ARG B 753 13.604 38.774 23.837 1.00 45.57 N ATOM 1969 CA ARG B 753 15.003 38.594 24.166 1.00 46.09 C ATOM 1970 C ARG B 753 15.923 39.431 23.240 1.00 52.04 C ATOM 1971 O ARG B 753 16.734 40.277 23.710 1.00 44.67 O ATOM 1972 CB ARG B 753 15.382 37.120 24.095 1.00 47.22 C ATOM 1973 CG ARG B 753 16.790 36.847 24.588 1.00 47.65 C ATOM 1974 CD ARG B 753 17.043 35.366 24.754 1.00 52.61 C ATOM 1975 NE ARG B 753 16.635 34.626 23.554 1.00 54.97 N ATOM 1976 CZ ARG B 753 15.818 33.559 23.506 1.00 54.12 C ATOM 1977 NH1 ARG B 753 15.298 32.971 24.618 1.00 48.74 N ATOM 1978 NH2 ARG B 753 15.570 33.038 22.315 1.00 49.90 N ATOM 0 H ARG B 753 13.208 38.053 23.585 1.00 45.57 H new ATOM 0 HA ARG B 753 15.132 38.910 25.074 1.00 46.09 H new ATOM 0 HB2 ARG B 753 14.754 36.604 24.624 1.00 47.22 H new ATOM 0 HB3 ARG B 753 15.300 36.814 23.178 1.00 47.22 H new ATOM 0 HG2 ARG B 753 17.431 37.217 23.961 1.00 47.65 H new ATOM 0 HG3 ARG B 753 16.930 37.297 25.436 1.00 47.65 H new ATOM 0 HD2 ARG B 753 17.985 35.213 24.928 1.00 52.61 H new ATOM 0 HD3 ARG B 753 16.555 35.035 25.524 1.00 52.61 H new ATOM 0 HE ARG B 753 16.951 34.903 22.804 1.00 54.97 H new ATOM 0 HH11 ARG B 753 15.488 33.281 25.397 1.00 48.74 H new ATOM 0 HH12 ARG B 753 14.779 32.290 24.541 1.00 48.74 H new ATOM 0 HH21 ARG B 753 15.927 33.382 21.612 1.00 49.90 H new ATOM 0 HH22 ARG B 753 15.052 32.355 22.244 1.00 49.90 H new ATOM 1979 N CYS B 754 15.805 39.173 21.939 1.00 59.15 N ATOM 1980 CA CYS B 754 16.503 39.945 20.898 1.00 57.51 C ATOM 1981 C CYS B 754 15.596 39.984 19.674 1.00 64.19 C ATOM 1982 O CYS B 754 15.631 39.057 18.851 1.00 64.98 O ATOM 1983 CB CYS B 754 17.881 39.358 20.533 1.00 56.28 C ATOM 1984 SG CYS B 754 18.942 40.609 19.700 1.00 53.88 S ATOM 0 H CYS B 754 15.314 38.539 21.628 1.00 59.15 H new ATOM 0 HA CYS B 754 16.681 40.837 21.235 1.00 57.51 H new ATOM 0 HB2 CYS B 754 18.322 39.040 21.336 1.00 56.28 H new ATOM 0 HB3 CYS B 754 17.764 38.591 19.951 1.00 56.28 H new ATOM 0 HG CYS B 754 20.004 40.119 19.433 1.00 53.88 H new ATOM 1985 N PRO B 755 14.757 41.033 19.574 1.00 72.78 N ATOM 1986 CA PRO B 755 13.877 41.064 18.425 1.00 83.66 C ATOM 1987 C PRO B 755 14.639 41.152 17.081 1.00 92.11 C ATOM 1988 O PRO B 755 15.114 42.213 16.703 1.00 87.44 O ATOM 1989 CB PRO B 755 12.963 42.281 18.708 1.00 84.10 C ATOM 1990 CG PRO B 755 12.995 42.439 20.197 1.00 82.98 C ATOM 1991 CD PRO B 755 14.391 42.054 20.581 1.00 79.03 C ATOM 0 HA PRO B 755 13.369 40.245 18.317 1.00 83.66 H new ATOM 0 HB2 PRO B 755 13.289 43.078 18.262 1.00 84.10 H new ATOM 0 HB3 PRO B 755 12.060 42.126 18.389 1.00 84.10 H new ATOM 0 HG2 PRO B 755 12.794 43.351 20.460 1.00 82.98 H new ATOM 0 HG3 PRO B 755 12.339 41.868 20.628 1.00 82.98 H new ATOM 0 HD2 PRO B 755 14.992 42.815 20.553 1.00 79.03 H new ATOM 0 HD3 PRO B 755 14.428 41.696 21.482 1.00 79.03 H new ATOM 1992 N GLU B 756 14.833 39.995 16.441 1.00104.78 N ATOM 1993 CA GLU B 756 14.827 39.896 14.986 1.00108.46 C ATOM 1994 C GLU B 756 13.325 39.837 14.717 1.00125.26 C ATOM 1995 O GLU B 756 12.682 38.855 15.100 1.00132.48 O ATOM 1996 CB GLU B 756 15.520 38.618 14.498 1.00 94.16 C ATOM 0 H GLU B 756 14.972 39.247 16.842 1.00104.78 H new ATOM 0 HA GLU B 756 15.298 40.615 14.536 1.00108.46 H new ATOM 1997 N SER B 757 12.772 40.903 14.118 1.00135.85 N ATOM 1998 CA SER B 757 11.307 41.149 14.022 1.00141.34 C ATOM 1999 C SER B 757 10.530 40.007 13.341 1.00147.70 C ATOM 2000 O SER B 757 11.118 38.963 13.050 1.00167.68 O ATOM 2001 CB SER B 757 11.059 42.469 13.272 1.00137.53 C ATOM 0 H SER B 757 13.242 41.520 13.746 1.00135.85 H new ATOM 0 HA SER B 757 10.972 41.200 14.931 1.00141.34 H new ATOM 2002 N GLN B 758 9.233 40.181 13.054 1.00139.48 N ATOM 2003 CA GLN B 758 8.515 39.214 12.190 1.00128.89 C ATOM 2004 C GLN B 758 9.109 39.256 10.761 1.00126.07 C ATOM 2005 O GLN B 758 8.384 39.101 9.775 1.00116.91 O ATOM 2006 CB GLN B 758 7.002 39.479 12.178 1.00116.46 C ATOM 0 H GLN B 758 8.755 40.836 13.340 1.00139.48 H new ATOM 0 HA GLN B 758 8.637 38.323 12.554 1.00128.89 H new ATOM 2007 N SER B 759 10.451 39.346 10.697 1.00122.42 N ATOM 2008 CA SER B 759 11.232 39.830 9.553 1.00117.67 C ATOM 2009 C SER B 759 11.195 38.840 8.398 1.00114.99 C ATOM 2010 O SER B 759 11.623 39.164 7.284 1.00130.82 O ATOM 2011 CB SER B 759 12.693 40.088 9.967 1.00107.27 C ATOM 0 H SER B 759 10.950 39.113 11.357 1.00122.42 H new ATOM 0 HA SER B 759 10.831 40.662 9.257 1.00117.67 H new ATOM 2012 N GLY B 760 10.720 37.627 8.681 1.00 88.96 N ATOM 2013 CA GLY B 760 10.247 36.724 7.660 1.00 79.89 C ATOM 2014 C GLY B 760 11.110 35.489 7.678 1.00 76.46 C ATOM 2015 O GLY B 760 12.338 35.588 7.613 1.00 72.16 O ATOM 0 H GLY B 760 10.667 37.312 9.479 1.00 88.96 H new ATOM 0 HA2 GLY B 760 9.320 36.490 7.820 1.00 79.89 H new ATOM 0 HA3 GLY B 760 10.285 37.150 6.789 1.00 79.89 H new ATOM 2016 N HIS B 761 10.460 34.335 7.817 1.00 59.76 N ATOM 2017 CA HIS B 761 11.060 33.055 7.523 1.00 51.69 C ATOM 2018 C HIS B 761 10.167 32.396 6.514 1.00 49.80 C ATOM 2019 O HIS B 761 9.019 32.801 6.348 1.00 43.45 O ATOM 2020 CB HIS B 761 11.122 32.234 8.779 1.00 49.00 C ATOM 2021 CG HIS B 761 11.811 32.926 9.898 1.00 50.61 C ATOM 2022 ND1 HIS B 761 11.142 33.712 10.802 1.00 56.07 N ATOM 2023 CD2 HIS B 761 13.115 32.945 10.271 1.00 49.02 C ATOM 2024 CE1 HIS B 761 12.002 34.169 11.701 1.00 52.20 C ATOM 2025 NE2 HIS B 761 13.201 33.711 11.401 1.00 46.72 N ATOM 0 H HIS B 761 9.646 34.282 8.089 1.00 59.76 H new ATOM 0 HA HIS B 761 11.963 33.148 7.181 1.00 51.69 H new ATOM 0 HB2 HIS B 761 10.220 32.006 9.054 1.00 49.00 H new ATOM 0 HB3 HIS B 761 11.581 31.400 8.591 1.00 49.00 H new ATOM 0 HD1 HIS B 761 10.299 33.881 10.788 1.00 56.07 H new ATOM 0 HD2 HIS B 761 13.819 32.517 9.839 1.00 49.02 H new ATOM 0 HE1 HIS B 761 11.795 34.719 12.421 1.00 52.20 H new ATOM 2026 N GLN B 762 10.711 31.423 5.798 1.00 41.88 N ATOM 2027 CA GLN B 762 9.966 30.668 4.846 1.00 46.59 C ATOM 2028 C GLN B 762 9.388 29.470 5.568 1.00 45.74 C ATOM 2029 O GLN B 762 10.044 28.951 6.458 1.00 50.69 O ATOM 2030 CB GLN B 762 10.883 30.154 3.734 1.00 56.75 C ATOM 2031 CG GLN B 762 11.848 31.182 3.182 1.00 68.02 C ATOM 2032 CD GLN B 762 11.164 32.510 2.949 1.00 76.94 C ATOM 2033 OE1 GLN B 762 10.185 32.590 2.187 1.00 80.37 O ATOM 2034 NE2 GLN B 762 11.641 33.557 3.631 1.00 86.34 N ATOM 0 H GLN B 762 11.536 31.190 5.862 1.00 41.88 H new ATOM 0 HA GLN B 762 9.275 31.226 4.456 1.00 46.59 H new ATOM 0 HB2 GLN B 762 11.391 29.401 4.073 1.00 56.75 H new ATOM 0 HB3 GLN B 762 10.334 29.821 3.007 1.00 56.75 H new ATOM 0 HG2 GLN B 762 12.586 31.300 3.800 1.00 68.02 H new ATOM 0 HG3 GLN B 762 12.225 30.860 2.348 1.00 68.02 H new ATOM 0 HE21 GLN B 762 12.321 33.459 4.148 1.00 86.34 H new ATOM 0 HE22 GLN B 762 11.268 34.328 3.552 1.00 86.34 H new ATOM 2035 N GLU B 763 8.240 28.967 5.121 1.00 45.71 N ATOM 2036 CA GLU B 763 7.604 27.857 5.812 1.00 45.16 C ATOM 2037 C GLU B 763 8.493 26.597 5.741 1.00 47.75 C ATOM 2038 O GLU B 763 8.627 25.891 6.757 1.00 40.04 O ATOM 2039 CB GLU B 763 6.153 27.598 5.319 1.00 45.99 C ATOM 2040 CG GLU B 763 5.510 26.295 5.881 1.00 45.95 C ATOM 2041 CD GLU B 763 4.153 25.898 5.306 1.00 45.65 C ATOM 2042 OE1 GLU B 763 3.199 26.674 5.431 1.00 53.06 O ATOM 2043 OE2 GLU B 763 3.993 24.786 4.747 1.00 48.01 O ATOM 0 H GLU B 763 7.819 29.252 4.427 1.00 45.71 H new ATOM 0 HA GLU B 763 7.515 28.102 6.746 1.00 45.16 H new ATOM 0 HB2 GLU B 763 5.598 28.354 5.568 1.00 45.99 H new ATOM 0 HB3 GLU B 763 6.155 27.554 4.350 1.00 45.99 H new ATOM 0 HG2 GLU B 763 6.128 25.563 5.731 1.00 45.95 H new ATOM 0 HG3 GLU B 763 5.415 26.394 6.841 1.00 45.95 H new ATOM 2044 N SER B 764 9.098 26.321 4.574 1.00 43.56 N ATOM 2045 CA ASER B 764 9.913 25.104 4.387 0.71 43.60 C ATOM 2046 CA BSER B 764 9.923 25.107 4.388 0.29 42.92 C ATOM 2047 C SER B 764 11.068 25.023 5.387 1.00 38.63 C ATOM 2048 O SER B 764 11.396 23.950 5.859 1.00 41.42 O ATOM 2049 CB ASER B 764 10.488 25.047 2.948 0.71 47.63 C ATOM 2050 CB BSER B 764 10.493 25.007 2.955 0.29 45.15 C ATOM 2051 OG ASER B 764 11.379 26.135 2.757 0.71 44.09 O ATOM 2052 OG BSER B 764 9.584 24.351 2.102 0.29 45.45 O ATOM 0 H ASER B 764 9.049 26.825 3.879 0.71 43.56 H new ATOM 0 H BSER B 764 9.045 26.822 3.877 0.29 43.56 H new ATOM 0 HA ASER B 764 9.323 24.349 4.539 0.71 42.92 H new ATOM 0 HA BSER B 764 9.323 24.361 4.543 0.29 42.92 H new ATOM 0 HB2ASER B 764 10.952 24.207 2.807 0.71 45.15 H new ATOM 0 HB2BSER B 764 10.680 25.895 2.614 0.29 45.15 H new ATOM 0 HB3ASER B 764 9.768 25.087 2.299 0.71 45.15 H new ATOM 0 HB3BSER B 764 11.335 24.526 2.970 0.29 45.15 H new ATOM 0 HG ASER B 764 11.694 26.106 1.979 0.71 45.45 H new ATOM 0 HG BSER B 764 9.908 24.306 1.328 0.29 45.45 H new ATOM 2053 N GLU B 765 11.639 26.166 5.720 1.00 35.79 N ATOM 2054 CA GLU B 765 12.696 26.270 6.696 1.00 38.17 C ATOM 2055 C GLU B 765 12.155 25.958 8.094 1.00 37.94 C ATOM 2056 O GLU B 765 12.771 25.187 8.852 1.00 34.83 O ATOM 2057 CB GLU B 765 13.331 27.675 6.703 1.00 36.89 C ATOM 2058 CG GLU B 765 14.518 27.873 7.663 1.00 46.94 C ATOM 2059 CD GLU B 765 14.239 28.571 9.027 1.00 54.11 C ATOM 2060 OE1 GLU B 765 13.441 29.527 9.112 1.00 53.85 O ATOM 2061 OE2 GLU B 765 14.861 28.183 10.071 1.00 56.23 O ATOM 0 H GLU B 765 11.415 26.921 5.374 1.00 35.79 H new ATOM 0 HA GLU B 765 13.379 25.626 6.452 1.00 38.17 H new ATOM 0 HB2 GLU B 765 13.628 27.881 5.803 1.00 36.89 H new ATOM 0 HB3 GLU B 765 12.643 28.320 6.930 1.00 36.89 H new ATOM 0 HG2 GLU B 765 14.901 27.001 7.847 1.00 46.94 H new ATOM 0 HG3 GLU B 765 15.195 28.388 7.197 1.00 46.94 H new ATOM 2062 N VAL B 766 11.026 26.594 8.429 1.00 33.14 N ATOM 2063 CA VAL B 766 10.449 26.459 9.754 1.00 30.21 C ATOM 2064 C VAL B 766 10.116 25.003 9.999 1.00 26.05 C ATOM 2065 O VAL B 766 10.483 24.485 11.049 1.00 26.65 O ATOM 2066 CB VAL B 766 9.191 27.398 9.962 1.00 33.31 C ATOM 2067 CG1 VAL B 766 8.459 27.030 11.263 1.00 35.20 C ATOM 2068 CG2 VAL B 766 9.619 28.850 10.009 1.00 29.80 C ATOM 0 H VAL B 766 10.585 27.106 7.897 1.00 33.14 H new ATOM 0 HA VAL B 766 11.102 26.751 10.410 1.00 30.21 H new ATOM 0 HB VAL B 766 8.588 27.271 9.213 1.00 33.31 H new ATOM 0 HG11 VAL B 766 7.692 27.612 11.378 1.00 35.20 H new ATOM 0 HG12 VAL B 766 8.161 26.108 11.217 1.00 35.20 H new ATOM 0 HG13 VAL B 766 9.062 27.138 12.015 1.00 35.20 H new ATOM 0 HG21 VAL B 766 8.840 29.413 10.137 1.00 29.80 H new ATOM 0 HG22 VAL B 766 10.237 28.982 10.745 1.00 29.80 H new ATOM 0 HG23 VAL B 766 10.055 29.086 9.175 1.00 29.80 H new ATOM 2069 N LEU B 767 9.534 24.326 9.026 1.00 25.70 N ATOM 2070 CA LEU B 767 9.174 22.943 9.206 1.00 29.65 C ATOM 2071 C LEU B 767 10.353 21.991 9.479 1.00 30.98 C ATOM 2072 O LEU B 767 10.178 20.932 10.119 1.00 27.86 O ATOM 2073 CB LEU B 767 8.398 22.381 8.046 1.00 29.82 C ATOM 2074 CG LEU B 767 7.038 23.031 7.682 1.00 33.01 C ATOM 2075 CD1 LEU B 767 6.462 22.373 6.455 1.00 33.11 C ATOM 2076 CD2 LEU B 767 6.077 22.952 8.860 1.00 31.35 C ATOM 0 H LEU B 767 9.340 24.653 8.254 1.00 25.70 H new ATOM 0 HA LEU B 767 8.620 22.978 10.002 1.00 29.65 H new ATOM 0 HB2 LEU B 767 8.966 22.426 7.261 1.00 29.82 H new ATOM 0 HB3 LEU B 767 8.237 21.441 8.226 1.00 29.82 H new ATOM 0 HG LEU B 767 7.179 23.969 7.481 1.00 33.01 H new ATOM 0 HD11 LEU B 767 5.612 22.786 6.235 1.00 33.11 H new ATOM 0 HD12 LEU B 767 7.075 22.481 5.711 1.00 33.11 H new ATOM 0 HD13 LEU B 767 6.327 21.428 6.628 1.00 33.11 H new ATOM 0 HD21 LEU B 767 5.232 23.362 8.617 1.00 31.35 H new ATOM 0 HD22 LEU B 767 5.929 22.023 9.095 1.00 31.35 H new ATOM 0 HD23 LEU B 767 6.457 23.421 9.620 1.00 31.35 H new ATOM 2077 N MET B 768 11.531 22.378 9.011 1.00 32.75 N ATOM 2078 CA MET B 768 12.747 21.550 9.187 1.00 35.42 C ATOM 2079 C MET B 768 13.434 21.779 10.550 1.00 34.21 C ATOM 2080 O MET B 768 14.336 20.986 10.915 1.00 33.29 O ATOM 2081 CB MET B 768 13.715 21.787 7.992 1.00 41.69 C ATOM 2082 CG MET B 768 13.296 21.054 6.723 1.00 47.27 C ATOM 2083 SD MET B 768 12.941 19.285 7.006 1.00 69.44 S ATOM 2084 CE MET B 768 14.540 18.681 7.587 1.00 64.48 C ATOM 0 H MET B 768 11.661 23.115 8.587 1.00 32.75 H new ATOM 0 HA MET B 768 12.480 20.618 9.191 1.00 35.42 H new ATOM 0 HB2 MET B 768 13.764 22.738 7.807 1.00 41.69 H new ATOM 0 HB3 MET B 768 14.607 21.500 8.244 1.00 41.69 H new ATOM 0 HG2 MET B 768 12.508 21.482 6.353 1.00 47.27 H new ATOM 0 HG3 MET B 768 14.000 21.136 6.061 1.00 47.27 H new ATOM 0 HE1 MET B 768 14.445 17.771 7.909 1.00 64.48 H new ATOM 0 HE2 MET B 768 15.178 18.700 6.857 1.00 64.48 H new ATOM 0 HE3 MET B 768 14.857 19.247 8.308 1.00 64.48 H new ATOM 2085 N ARG B 769 12.988 22.778 11.330 1.00 26.34 N ATOM 2086 CA ARG B 769 13.547 22.997 12.657 1.00 29.94 C ATOM 2087 C ARG B 769 13.356 21.807 13.579 1.00 30.31 C ATOM 2088 O ARG B 769 12.292 21.225 13.626 1.00 25.63 O ATOM 2089 CB ARG B 769 12.968 24.213 13.303 1.00 34.46 C ATOM 2090 CG ARG B 769 13.323 25.482 12.528 1.00 38.55 C ATOM 2091 CD ARG B 769 12.943 26.699 13.322 1.00 40.80 C ATOM 2092 NE ARG B 769 12.980 27.866 12.457 1.00 45.98 N ATOM 2093 CZ ARG B 769 12.492 29.070 12.761 1.00 51.49 C ATOM 2094 NH1 ARG B 769 11.881 29.286 13.928 1.00 50.48 N ATOM 2095 NH2 ARG B 769 12.601 30.071 11.875 1.00 50.99 N ATOM 0 H ARG B 769 12.368 23.330 11.104 1.00 26.34 H new ATOM 0 HA ARG B 769 14.499 23.125 12.520 1.00 29.94 H new ATOM 0 HB2 ARG B 769 12.004 24.124 13.356 1.00 34.46 H new ATOM 0 HB3 ARG B 769 13.297 24.285 14.213 1.00 34.46 H new ATOM 0 HG2 ARG B 769 14.274 25.497 12.337 1.00 38.55 H new ATOM 0 HG3 ARG B 769 12.862 25.487 11.675 1.00 38.55 H new ATOM 0 HD2 ARG B 769 12.055 26.589 13.697 1.00 40.80 H new ATOM 0 HD3 ARG B 769 13.553 26.816 14.067 1.00 40.80 H new ATOM 0 HE ARG B 769 13.347 27.773 11.685 1.00 45.98 H new ATOM 0 HH11 ARG B 769 11.798 28.645 14.495 1.00 50.48 H new ATOM 0 HH12 ARG B 769 11.570 30.066 14.113 1.00 50.48 H new ATOM 0 HH21 ARG B 769 12.983 29.934 11.117 1.00 50.99 H new ATOM 0 HH22 ARG B 769 12.288 30.849 12.065 1.00 50.99 H new ATOM 2096 N GLN B 770 14.414 21.423 14.292 1.00 27.60 N ATOM 2097 CA GLN B 770 14.299 20.340 15.246 1.00 27.26 C ATOM 2098 C GLN B 770 13.531 20.821 16.464 1.00 27.73 C ATOM 2099 O GLN B 770 13.605 22.001 16.834 1.00 22.60 O ATOM 2100 CB GLN B 770 15.710 19.841 15.650 1.00 28.31 C ATOM 2101 CG GLN B 770 16.389 19.217 14.428 1.00 33.09 C ATOM 2102 CD GLN B 770 17.732 18.573 14.743 1.00 39.13 C ATOM 2103 OE1 GLN B 770 18.113 18.458 15.873 1.00 40.71 O ATOM 2104 NE2 GLN B 770 18.413 18.130 13.727 1.00 49.02 N ATOM 0 H GLN B 770 15.196 21.776 14.235 1.00 27.60 H new ATOM 0 HA GLN B 770 13.817 19.600 14.844 1.00 27.26 H new ATOM 0 HB2 GLN B 770 16.242 20.578 15.988 1.00 28.31 H new ATOM 0 HB3 GLN B 770 15.642 19.189 16.365 1.00 28.31 H new ATOM 0 HG2 GLN B 770 15.799 18.548 14.045 1.00 33.09 H new ATOM 0 HG3 GLN B 770 16.517 19.902 13.753 1.00 33.09 H new ATOM 0 HE21 GLN B 770 18.109 18.230 12.929 1.00 49.02 H new ATOM 0 HE22 GLN B 770 19.167 17.737 13.853 1.00 49.02 H new ATOM 2105 N MET B 771 12.892 19.871 17.150 1.00 24.84 N ATOM 2106 CA MET B 771 12.121 20.191 18.352 1.00 26.98 C ATOM 2107 C MET B 771 12.915 20.354 19.627 1.00 24.92 C ATOM 2108 O MET B 771 12.673 19.702 20.648 1.00 25.54 O ATOM 2109 CB MET B 771 10.959 19.239 18.490 1.00 26.37 C ATOM 2110 CG MET B 771 9.998 19.331 17.322 1.00 31.01 C ATOM 2111 SD MET B 771 8.733 20.671 17.616 1.00 30.24 S ATOM 2112 CE MET B 771 7.587 19.711 18.536 1.00 31.70 C ATOM 0 H MET B 771 12.893 19.038 16.936 1.00 24.84 H new ATOM 0 HA MET B 771 11.780 21.088 18.214 1.00 26.98 H new ATOM 0 HB2 MET B 771 11.294 18.331 18.560 1.00 26.37 H new ATOM 0 HB3 MET B 771 10.483 19.430 19.313 1.00 26.37 H new ATOM 0 HG2 MET B 771 10.489 19.516 16.506 1.00 31.01 H new ATOM 0 HG3 MET B 771 9.551 18.479 17.197 1.00 31.01 H new ATOM 0 HE1 MET B 771 6.979 20.299 19.010 1.00 31.70 H new ATOM 0 HE2 MET B 771 7.083 19.143 17.933 1.00 31.70 H new ATOM 0 HE3 MET B 771 8.066 19.159 19.174 1.00 31.70 H new ATOM 2113 N LEU B 772 13.783 21.356 19.588 1.00 24.60 N ATOM 2114 CA LEU B 772 14.499 21.842 20.724 1.00 24.35 C ATOM 2115 C LEU B 772 13.472 22.495 21.676 1.00 26.42 C ATOM 2116 O LEU B 772 12.319 22.710 21.277 1.00 24.05 O ATOM 2117 CB LEU B 772 15.560 22.832 20.265 1.00 31.19 C ATOM 2118 CG LEU B 772 16.702 22.201 19.407 1.00 37.25 C ATOM 2119 CD1 LEU B 772 17.554 23.338 18.872 1.00 38.82 C ATOM 2120 CD2 LEU B 772 17.560 21.239 20.210 1.00 36.84 C ATOM 0 H LEU B 772 13.969 21.780 18.863 1.00 24.60 H new ATOM 0 HA LEU B 772 14.957 21.127 21.193 1.00 24.35 H new ATOM 0 HB2 LEU B 772 15.132 23.532 19.749 1.00 31.19 H new ATOM 0 HB3 LEU B 772 15.952 23.254 21.045 1.00 31.19 H new ATOM 0 HG LEU B 772 16.310 21.685 18.686 1.00 37.25 H new ATOM 0 HD11 LEU B 772 18.275 22.977 18.333 1.00 38.82 H new ATOM 0 HD12 LEU B 772 17.006 23.925 18.327 1.00 38.82 H new ATOM 0 HD13 LEU B 772 17.926 23.840 19.614 1.00 38.82 H new ATOM 0 HD21 LEU B 772 18.254 20.872 19.641 1.00 36.84 H new ATOM 0 HD22 LEU B 772 17.968 21.711 20.953 1.00 36.84 H new ATOM 0 HD23 LEU B 772 17.007 20.519 20.550 1.00 36.84 H new ATOM 2121 N PRO B 773 13.850 22.725 22.932 1.00 24.22 N ATOM 2122 CA PRO B 773 12.896 23.221 23.937 1.00 25.57 C ATOM 2123 C PRO B 773 12.075 24.461 23.505 1.00 24.41 C ATOM 2124 O PRO B 773 10.870 24.483 23.758 1.00 22.36 O ATOM 2125 CB PRO B 773 13.800 23.541 25.127 1.00 24.74 C ATOM 2126 CG PRO B 773 14.844 22.465 25.008 1.00 26.07 C ATOM 2127 CD PRO B 773 15.137 22.327 23.570 1.00 26.84 C ATOM 0 HA PRO B 773 12.204 22.565 24.116 1.00 25.57 H new ATOM 0 HB2 PRO B 773 14.183 24.430 25.066 1.00 24.74 H new ATOM 0 HB3 PRO B 773 13.323 23.495 25.970 1.00 24.74 H new ATOM 0 HG2 PRO B 773 15.644 22.703 25.502 1.00 26.07 H new ATOM 0 HG3 PRO B 773 14.521 21.628 25.377 1.00 26.07 H new ATOM 0 HD2 PRO B 773 15.868 22.902 23.295 1.00 26.84 H new ATOM 0 HD3 PRO B 773 15.388 21.419 23.339 1.00 26.84 H new ATOM 2128 N GLU B 774 12.698 25.447 22.833 1.00 27.12 N ATOM 2129 CA GLU B 774 11.916 26.641 22.413 1.00 28.59 C ATOM 2130 C GLU B 774 10.941 26.310 21.319 1.00 28.99 C ATOM 2131 O GLU B 774 9.809 26.845 21.307 1.00 27.66 O ATOM 2132 CB GLU B 774 12.831 27.839 22.076 1.00 32.42 C ATOM 2133 CG GLU B 774 13.306 28.535 23.363 1.00 35.77 C ATOM 2134 CD GLU B 774 14.187 29.798 23.157 1.00 46.45 C ATOM 2135 OE1 GLU B 774 14.357 30.307 22.012 1.00 42.45 O ATOM 2136 OE2 GLU B 774 14.718 30.268 24.185 1.00 43.04 O ATOM 0 H GLU B 774 13.530 25.452 22.617 1.00 27.12 H new ATOM 0 HA GLU B 774 11.381 26.923 23.171 1.00 28.59 H new ATOM 0 HB2 GLU B 774 13.597 27.534 21.566 1.00 32.42 H new ATOM 0 HB3 GLU B 774 12.352 28.472 21.518 1.00 32.42 H new ATOM 0 HG2 GLU B 774 12.526 28.785 23.883 1.00 35.77 H new ATOM 0 HG3 GLU B 774 13.806 27.894 23.892 1.00 35.77 H new ATOM 2137 N GLU B 775 11.328 25.468 20.360 1.00 26.94 N ATOM 2138 CA GLU B 775 10.426 25.072 19.321 1.00 26.75 C ATOM 2139 C GLU B 775 9.274 24.197 19.870 1.00 25.78 C ATOM 2140 O GLU B 775 8.136 24.307 19.396 1.00 24.07 O ATOM 2141 CB GLU B 775 11.074 24.370 18.093 1.00 31.02 C ATOM 2142 CG GLU B 775 12.306 25.059 17.488 1.00 46.45 C ATOM 2143 CD GLU B 775 12.121 26.523 17.104 1.00 58.45 C ATOM 2144 OE1 GLU B 775 11.084 26.873 16.500 1.00 59.84 O ATOM 2145 OE2 GLU B 775 13.037 27.328 17.382 1.00 61.06 O ATOM 0 H GLU B 775 12.114 25.122 20.306 1.00 26.94 H new ATOM 0 HA GLU B 775 10.082 25.916 18.989 1.00 26.75 H new ATOM 0 HB2 GLU B 775 11.326 23.470 18.354 1.00 31.02 H new ATOM 0 HB3 GLU B 775 10.401 24.286 17.400 1.00 31.02 H new ATOM 0 HG2 GLU B 775 13.036 24.998 18.124 1.00 46.45 H new ATOM 0 HG3 GLU B 775 12.577 24.566 16.698 1.00 46.45 H new ATOM 2146 N GLN B 776 9.563 23.351 20.844 1.00 22.20 N ATOM 2147 CA GLN B 776 8.559 22.463 21.460 1.00 24.09 C ATOM 2148 C GLN B 776 7.528 23.398 22.160 1.00 23.91 C ATOM 2149 O GLN B 776 6.330 23.212 22.039 1.00 21.54 O ATOM 2150 CB GLN B 776 9.293 21.536 22.439 1.00 24.39 C ATOM 2151 CG GLN B 776 8.457 20.720 23.404 1.00 26.24 C ATOM 2152 CD GLN B 776 7.857 19.486 22.816 1.00 27.82 C ATOM 2153 OE1 GLN B 776 8.366 18.902 21.853 1.00 27.23 O ATOM 2154 NE2 GLN B 776 6.752 19.065 23.411 1.00 26.13 N ATOM 0 H GLN B 776 10.351 23.267 21.177 1.00 22.20 H new ATOM 0 HA GLN B 776 8.089 21.898 20.827 1.00 24.09 H new ATOM 0 HB2 GLN B 776 9.832 20.920 21.918 1.00 24.39 H new ATOM 0 HB3 GLN B 776 9.905 22.078 22.961 1.00 24.39 H new ATOM 0 HG2 GLN B 776 9.010 20.468 24.160 1.00 26.24 H new ATOM 0 HG3 GLN B 776 7.744 21.280 23.749 1.00 26.24 H new ATOM 0 HE21 GLN B 776 6.430 19.501 24.079 1.00 26.13 H new ATOM 0 HE22 GLN B 776 6.356 18.355 23.130 1.00 26.13 H new ATOM 2155 N LEU B 777 8.025 24.451 22.834 1.00 23.52 N ATOM 2156 CA LEU B 777 7.141 25.391 23.500 1.00 25.92 C ATOM 2157 C LEU B 777 6.260 26.140 22.465 1.00 25.66 C ATOM 2158 O LEU B 777 5.038 26.287 22.678 1.00 24.48 O ATOM 2159 CB LEU B 777 7.889 26.343 24.397 1.00 26.17 C ATOM 2160 CG LEU B 777 7.020 27.185 25.321 1.00 30.37 C ATOM 2161 CD1 LEU B 777 6.476 26.367 26.504 1.00 31.69 C ATOM 2162 CD2 LEU B 777 7.832 28.365 25.893 1.00 34.56 C ATOM 0 H LEU B 777 8.863 24.627 22.910 1.00 23.52 H new ATOM 0 HA LEU B 777 6.554 24.881 24.079 1.00 25.92 H new ATOM 0 HB2 LEU B 777 8.511 25.833 24.939 1.00 26.17 H new ATOM 0 HB3 LEU B 777 8.418 26.938 23.843 1.00 26.17 H new ATOM 0 HG LEU B 777 6.276 27.505 24.787 1.00 30.37 H new ATOM 0 HD11 LEU B 777 5.929 26.937 27.067 1.00 31.69 H new ATOM 0 HD12 LEU B 777 5.938 25.632 26.170 1.00 31.69 H new ATOM 0 HD13 LEU B 777 7.217 26.015 27.022 1.00 31.69 H new ATOM 0 HD21 LEU B 777 7.267 28.893 26.479 1.00 34.56 H new ATOM 0 HD22 LEU B 777 8.589 28.024 26.395 1.00 34.56 H new ATOM 0 HD23 LEU B 777 8.151 28.921 25.165 1.00 34.56 H new ATOM 2163 N LYS B 778 6.840 26.526 21.334 1.00 22.39 N ATOM 2164 CA LYS B 778 6.070 27.249 20.324 1.00 22.43 C ATOM 2165 C LYS B 778 4.983 26.403 19.742 1.00 21.59 C ATOM 2166 O LYS B 778 3.860 26.901 19.486 1.00 23.69 O ATOM 2167 CB LYS B 778 6.989 27.862 19.247 1.00 25.12 C ATOM 2168 CG LYS B 778 7.781 29.017 19.741 1.00 28.37 C ATOM 2169 CD LYS B 778 8.792 29.448 18.667 1.00 33.69 C ATOM 2170 CE LYS B 778 9.359 30.788 19.047 1.00 45.32 C ATOM 2171 NZ LYS B 778 10.633 31.031 18.282 1.00 52.15 N ATOM 0 H LYS B 778 7.664 26.383 21.132 1.00 22.39 H new ATOM 0 HA LYS B 778 5.628 27.990 20.767 1.00 22.43 H new ATOM 0 HB2 LYS B 778 7.595 27.178 18.920 1.00 25.12 H new ATOM 0 HB3 LYS B 778 6.449 28.147 18.493 1.00 25.12 H new ATOM 0 HG2 LYS B 778 7.191 29.756 19.958 1.00 28.37 H new ATOM 0 HG3 LYS B 778 8.246 28.776 20.558 1.00 28.37 H new ATOM 0 HD2 LYS B 778 9.502 28.792 18.591 1.00 33.69 H new ATOM 0 HD3 LYS B 778 8.360 29.499 17.800 1.00 33.69 H new ATOM 0 HE2 LYS B 778 8.716 31.488 18.854 1.00 45.32 H new ATOM 0 HE3 LYS B 778 9.533 30.818 20.001 1.00 45.32 H new ATOM 0 HZ1 LYS B 778 10.968 31.824 18.507 1.00 52.15 H new ATOM 0 HZ2 LYS B 778 11.223 30.394 18.477 1.00 52.15 H new ATOM 0 HZ3 LYS B 778 10.462 31.019 17.409 1.00 52.15 H new ATOM 2172 N CYS B 779 5.205 25.096 19.566 1.00 19.90 N ATOM 2173 CA CYS B 779 4.183 24.247 19.086 1.00 20.29 C ATOM 2174 C CYS B 779 3.084 23.980 20.154 1.00 20.00 C ATOM 2175 O CYS B 779 1.901 23.863 19.765 1.00 20.70 O ATOM 2176 CB CYS B 779 4.725 22.863 18.607 1.00 23.80 C ATOM 2177 SG CYS B 779 5.788 22.928 17.152 1.00 26.58 S ATOM 0 H CYS B 779 5.954 24.704 19.727 1.00 19.90 H new ATOM 0 HA CYS B 779 3.802 24.725 18.333 1.00 20.29 H new ATOM 0 HB2 CYS B 779 5.219 22.454 19.335 1.00 23.80 H new ATOM 0 HB3 CYS B 779 3.971 22.284 18.415 1.00 23.80 H new ATOM 0 HG CYS B 779 6.730 22.202 17.312 1.00 26.58 H new ATOM 2178 N GLU B 780 3.494 23.854 21.432 1.00 20.78 N ATOM 2179 CA GLU B 780 2.562 23.784 22.562 1.00 20.08 C ATOM 2180 C GLU B 780 1.578 25.014 22.547 1.00 20.40 C ATOM 2181 O GLU B 780 0.347 24.876 22.700 1.00 18.18 O ATOM 2182 CB GLU B 780 3.290 23.665 23.882 1.00 21.26 C ATOM 2183 CG GLU B 780 3.865 22.245 24.059 1.00 24.09 C ATOM 2184 CD GLU B 780 4.935 22.062 25.114 1.00 28.68 C ATOM 2185 OE1 GLU B 780 5.407 23.140 25.574 1.00 31.70 O ATOM 2186 OE2 GLU B 780 5.324 20.827 25.476 1.00 30.66 O ATOM 0 H GLU B 780 4.322 23.807 21.660 1.00 20.78 H new ATOM 0 HA GLU B 780 2.032 22.977 22.462 1.00 20.08 H new ATOM 0 HB2 GLU B 780 4.007 24.317 23.921 1.00 21.26 H new ATOM 0 HB3 GLU B 780 2.683 23.867 24.611 1.00 21.26 H new ATOM 0 HG2 GLU B 780 3.131 21.647 24.268 1.00 24.09 H new ATOM 0 HG3 GLU B 780 4.230 21.960 23.207 1.00 24.09 H new ATOM 2187 N PHE B 781 2.157 26.175 22.276 1.00 19.05 N ATOM 2188 CA PHE B 781 1.404 27.414 22.297 1.00 22.59 C ATOM 2189 C PHE B 781 0.467 27.461 21.127 1.00 21.70 C ATOM 2190 O PHE B 781 -0.751 27.802 21.248 1.00 19.33 O ATOM 2191 CB PHE B 781 2.351 28.571 22.319 1.00 23.71 C ATOM 2192 CG PHE B 781 1.686 29.902 22.452 1.00 23.33 C ATOM 2193 CD1 PHE B 781 0.817 30.146 23.509 1.00 25.26 C ATOM 2194 CD2 PHE B 781 1.975 30.928 21.536 1.00 25.30 C ATOM 2195 CE1 PHE B 781 0.181 31.422 23.672 1.00 27.47 C ATOM 2196 CE2 PHE B 781 1.352 32.179 21.678 1.00 29.51 C ATOM 2197 CZ PHE B 781 0.481 32.434 22.766 1.00 29.86 C ATOM 0 H PHE B 781 2.989 26.265 22.077 1.00 19.05 H new ATOM 0 HA PHE B 781 0.861 27.465 23.099 1.00 22.59 H new ATOM 0 HB2 PHE B 781 2.971 28.455 23.056 1.00 23.71 H new ATOM 0 HB3 PHE B 781 2.876 28.563 21.503 1.00 23.71 H new ATOM 0 HD1 PHE B 781 0.644 29.469 24.123 1.00 25.26 H new ATOM 0 HD2 PHE B 781 2.575 30.780 20.841 1.00 25.30 H new ATOM 0 HE1 PHE B 781 -0.418 31.569 24.368 1.00 27.47 H new ATOM 0 HE2 PHE B 781 1.513 32.847 21.051 1.00 29.51 H new ATOM 0 HZ PHE B 781 0.109 33.279 22.875 1.00 29.86 H new ATOM 2198 N LEU B 782 0.963 27.003 19.974 1.00 20.05 N ATOM 2199 CA LEU B 782 0.131 26.877 18.819 1.00 22.74 C ATOM 2200 C LEU B 782 -1.038 25.969 19.004 1.00 23.95 C ATOM 2201 O LEU B 782 -2.182 26.263 18.584 1.00 21.60 O ATOM 2202 CB LEU B 782 0.974 26.504 17.593 1.00 24.57 C ATOM 2203 CG LEU B 782 0.295 26.360 16.282 1.00 27.76 C ATOM 2204 CD1 LEU B 782 -0.673 27.503 15.918 1.00 31.57 C ATOM 2205 CD2 LEU B 782 1.448 26.248 15.263 1.00 29.98 C ATOM 0 H LEU B 782 1.781 26.764 19.858 1.00 20.05 H new ATOM 0 HA LEU B 782 -0.266 27.749 18.667 1.00 22.74 H new ATOM 0 HB2 LEU B 782 1.665 27.178 17.495 1.00 24.57 H new ATOM 0 HB3 LEU B 782 1.421 25.665 17.787 1.00 24.57 H new ATOM 0 HG LEU B 782 -0.289 25.585 16.295 1.00 27.76 H new ATOM 0 HD11 LEU B 782 -1.070 27.328 15.050 1.00 31.57 H new ATOM 0 HD12 LEU B 782 -1.373 27.560 16.587 1.00 31.57 H new ATOM 0 HD13 LEU B 782 -0.187 28.342 15.887 1.00 31.57 H new ATOM 0 HD21 LEU B 782 1.082 26.150 14.370 1.00 29.98 H new ATOM 0 HD22 LEU B 782 1.994 27.049 15.302 1.00 29.98 H new ATOM 0 HD23 LEU B 782 1.994 25.475 15.475 1.00 29.98 H new ATOM 2206 N LEU B 783 -0.786 24.805 19.581 1.00 22.18 N ATOM 2207 CA LEU B 783 -1.891 23.878 19.800 1.00 20.69 C ATOM 2208 C LEU B 783 -2.925 24.524 20.802 1.00 21.11 C ATOM 2209 O LEU B 783 -4.168 24.416 20.652 1.00 19.05 O ATOM 2210 CB LEU B 783 -1.338 22.548 20.405 1.00 18.98 C ATOM 2211 CG LEU B 783 -2.329 21.452 20.680 1.00 20.67 C ATOM 2212 CD1 LEU B 783 -3.161 21.123 19.452 1.00 20.36 C ATOM 2213 CD2 LEU B 783 -1.595 20.254 21.263 1.00 21.09 C ATOM 0 H LEU B 783 -0.013 24.536 19.846 1.00 22.18 H new ATOM 0 HA LEU B 783 -2.332 23.691 18.957 1.00 20.69 H new ATOM 0 HB2 LEU B 783 -0.665 22.199 19.799 1.00 18.98 H new ATOM 0 HB3 LEU B 783 -0.887 22.761 21.237 1.00 18.98 H new ATOM 0 HG LEU B 783 -2.974 21.750 21.340 1.00 20.67 H new ATOM 0 HD11 LEU B 783 -3.787 20.414 19.666 1.00 20.36 H new ATOM 0 HD12 LEU B 783 -3.650 21.912 19.171 1.00 20.36 H new ATOM 0 HD13 LEU B 783 -2.577 20.832 18.734 1.00 20.36 H new ATOM 0 HD21 LEU B 783 -2.229 19.542 21.443 1.00 21.09 H new ATOM 0 HD22 LEU B 783 -0.930 19.942 20.629 1.00 21.09 H new ATOM 0 HD23 LEU B 783 -1.157 20.513 22.089 1.00 21.09 H new ATOM 2214 N LEU B 784 -2.392 25.174 21.832 1.00 21.77 N ATOM 2215 CA LEU B 784 -3.271 25.863 22.825 1.00 21.05 C ATOM 2216 C LEU B 784 -4.156 26.930 22.168 1.00 20.88 C ATOM 2217 O LEU B 784 -5.327 27.011 22.471 1.00 22.08 O ATOM 2218 CB LEU B 784 -2.499 26.462 23.952 1.00 21.10 C ATOM 2219 CG LEU B 784 -3.358 27.169 25.042 1.00 23.09 C ATOM 2220 CD1 LEU B 784 -2.760 26.954 26.400 1.00 24.88 C ATOM 2221 CD2 LEU B 784 -3.383 28.681 24.849 1.00 26.37 C ATOM 0 H LEU B 784 -1.548 25.237 21.987 1.00 21.77 H new ATOM 0 HA LEU B 784 -3.845 25.172 23.191 1.00 21.05 H new ATOM 0 HB2 LEU B 784 -1.977 25.763 24.375 1.00 21.10 H new ATOM 0 HB3 LEU B 784 -1.870 27.105 23.589 1.00 21.10 H new ATOM 0 HG LEU B 784 -4.249 26.793 24.966 1.00 23.09 H new ATOM 0 HD11 LEU B 784 -3.305 27.399 27.068 1.00 24.88 H new ATOM 0 HD12 LEU B 784 -2.726 26.004 26.592 1.00 24.88 H new ATOM 0 HD13 LEU B 784 -1.862 27.320 26.420 1.00 24.88 H new ATOM 0 HD21 LEU B 784 -3.925 29.087 25.543 1.00 26.37 H new ATOM 0 HD22 LEU B 784 -2.479 29.029 24.900 1.00 26.37 H new ATOM 0 HD23 LEU B 784 -3.761 28.890 23.980 1.00 26.37 H new ATOM 2222 N LYS B 785 -3.627 27.691 21.238 1.00 23.16 N ATOM 2223 CA LYS B 785 -4.421 28.644 20.426 1.00 23.18 C ATOM 2224 C LYS B 785 -5.562 28.043 19.687 1.00 23.79 C ATOM 2225 O LYS B 785 -6.641 28.623 19.631 1.00 24.29 O ATOM 2226 CB LYS B 785 -3.551 29.514 19.499 1.00 23.38 C ATOM 2227 CG LYS B 785 -2.558 30.412 20.211 1.00 28.31 C ATOM 2228 CD LYS B 785 -3.053 31.402 21.235 1.00 32.84 C ATOM 2229 CE LYS B 785 -4.044 32.408 20.718 1.00 38.90 C ATOM 2230 NZ LYS B 785 -3.502 33.476 19.880 1.00 47.71 N ATOM 0 H LYS B 785 -2.789 27.684 21.043 1.00 23.16 H new ATOM 0 HA LYS B 785 -4.822 29.226 21.091 1.00 23.18 H new ATOM 0 HB2 LYS B 785 -3.065 28.932 18.894 1.00 23.38 H new ATOM 0 HB3 LYS B 785 -4.134 30.066 18.955 1.00 23.38 H new ATOM 0 HG2 LYS B 785 -1.911 29.839 20.650 1.00 28.31 H new ATOM 0 HG3 LYS B 785 -2.079 30.912 19.532 1.00 28.31 H new ATOM 0 HD2 LYS B 785 -3.460 30.913 21.967 1.00 32.84 H new ATOM 0 HD3 LYS B 785 -2.291 31.877 21.601 1.00 32.84 H new ATOM 0 HE2 LYS B 785 -4.721 31.935 20.209 1.00 38.90 H new ATOM 0 HE3 LYS B 785 -4.491 32.813 21.477 1.00 38.90 H new ATOM 0 HZ1 LYS B 785 -4.123 34.101 19.757 1.00 47.71 H new ATOM 0 HZ2 LYS B 785 -2.794 33.837 20.280 1.00 47.71 H new ATOM 0 HZ3 LYS B 785 -3.258 33.141 19.092 1.00 47.71 H new ATOM 2231 N VAL B 786 -5.400 26.853 19.128 1.00 22.04 N ATOM 2232 CA VAL B 786 -6.490 26.185 18.498 1.00 21.09 C ATOM 2233 C VAL B 786 -7.562 25.780 19.520 1.00 23.07 C ATOM 2234 O VAL B 786 -8.757 25.893 19.241 1.00 23.71 O ATOM 2235 CB VAL B 786 -6.007 24.956 17.698 1.00 20.99 C ATOM 2236 CG1 VAL B 786 -7.141 24.121 17.191 1.00 21.56 C ATOM 2237 CG2 VAL B 786 -5.028 25.406 16.581 1.00 24.31 C ATOM 0 H VAL B 786 -4.655 26.423 19.110 1.00 22.04 H new ATOM 0 HA VAL B 786 -6.891 26.810 17.874 1.00 21.09 H new ATOM 0 HB VAL B 786 -5.519 24.370 18.298 1.00 20.99 H new ATOM 0 HG11 VAL B 786 -6.790 23.364 16.697 1.00 21.56 H new ATOM 0 HG12 VAL B 786 -7.668 23.801 17.940 1.00 21.56 H new ATOM 0 HG13 VAL B 786 -7.701 24.656 16.607 1.00 21.56 H new ATOM 0 HG21 VAL B 786 -4.728 24.630 16.082 1.00 24.31 H new ATOM 0 HG22 VAL B 786 -5.481 26.020 15.982 1.00 24.31 H new ATOM 0 HG23 VAL B 786 -4.263 25.849 16.980 1.00 24.31 H new ATOM 2238 N TYR B 787 -7.133 25.216 20.658 1.00 20.26 N ATOM 2239 CA TYR B 787 -8.077 24.807 21.726 1.00 20.86 C ATOM 2240 C TYR B 787 -8.866 26.026 22.284 1.00 19.46 C ATOM 2241 O TYR B 787 -10.029 25.835 22.739 1.00 24.45 O ATOM 2242 CB TYR B 787 -7.364 24.048 22.866 1.00 19.54 C ATOM 2243 CG TYR B 787 -7.133 22.561 22.710 1.00 20.33 C ATOM 2244 CD1 TYR B 787 -8.087 21.663 23.014 1.00 22.29 C ATOM 2245 CD2 TYR B 787 -5.867 22.051 22.429 1.00 21.42 C ATOM 2246 CE1 TYR B 787 -7.876 20.285 22.921 1.00 21.31 C ATOM 2247 CE2 TYR B 787 -5.656 20.713 22.341 1.00 20.22 C ATOM 2248 CZ TYR B 787 -6.637 19.834 22.621 1.00 22.90 C ATOM 2249 OH TYR B 787 -6.364 18.502 22.590 1.00 22.05 O ATOM 0 H TYR B 787 -6.306 25.060 20.835 1.00 20.26 H new ATOM 0 HA TYR B 787 -8.713 24.196 21.321 1.00 20.86 H new ATOM 0 HB2 TYR B 787 -6.501 24.468 23.005 1.00 19.54 H new ATOM 0 HB3 TYR B 787 -7.879 24.183 23.677 1.00 19.54 H new ATOM 0 HD1 TYR B 787 -8.918 21.971 23.297 1.00 22.29 H new ATOM 0 HD2 TYR B 787 -5.156 22.636 22.300 1.00 21.42 H new ATOM 0 HE1 TYR B 787 -8.575 19.689 23.063 1.00 21.31 H new ATOM 0 HE2 TYR B 787 -4.820 20.398 22.083 1.00 20.22 H new ATOM 0 HH TYR B 787 -6.957 18.084 23.013 1.00 22.05 H new ATOM 2250 N CYS B 788 -8.280 27.198 22.247 1.00 19.03 N ATOM 2251 CA CYS B 788 -8.969 28.461 22.676 1.00 24.39 C ATOM 2252 C CYS B 788 -10.200 28.805 21.824 1.00 27.82 C ATOM 2253 O CYS B 788 -11.087 29.496 22.295 1.00 31.10 O ATOM 2254 CB CYS B 788 -8.046 29.669 22.651 1.00 23.57 C ATOM 2255 SG CYS B 788 -6.789 29.650 23.946 1.00 28.69 S ATOM 0 H CYS B 788 -7.472 27.316 21.977 1.00 19.03 H new ATOM 0 HA CYS B 788 -9.250 28.273 23.585 1.00 24.39 H new ATOM 0 HB2 CYS B 788 -7.608 29.713 21.787 1.00 23.57 H new ATOM 0 HB3 CYS B 788 -8.579 30.475 22.740 1.00 23.57 H new ATOM 0 HG CYS B 788 -6.016 28.756 23.741 1.00 28.69 H new ATOM 2256 N ASP B 789 -10.302 28.262 20.624 1.00 26.00 N ATOM 2257 CA ASP B 789 -11.501 28.447 19.794 1.00 27.59 C ATOM 2258 C ASP B 789 -12.561 27.517 20.175 1.00 26.50 C ATOM 2259 O ASP B 789 -12.318 26.357 20.311 1.00 25.34 O ATOM 2260 CB ASP B 789 -11.200 28.287 18.297 1.00 29.98 C ATOM 2261 CG ASP B 789 -12.295 28.969 17.441 1.00 34.37 C ATOM 2262 OD1 ASP B 789 -13.356 28.383 17.318 1.00 33.95 O ATOM 2263 OD2 ASP B 789 -12.117 30.158 17.090 1.00 38.23 O ATOM 0 H ASP B 789 -9.690 27.779 20.262 1.00 26.00 H new ATOM 0 HA ASP B 789 -11.801 29.356 19.951 1.00 27.59 H new ATOM 0 HB2 ASP B 789 -10.335 28.676 18.093 1.00 29.98 H new ATOM 0 HB3 ASP B 789 -11.148 27.345 18.072 1.00 29.98 H new ATOM 2264 N SER B 790 -13.804 27.987 20.332 1.00 26.24 N ATOM 2265 CA SER B 790 -14.836 27.114 20.893 1.00 29.74 C ATOM 2266 C SER B 790 -15.147 26.004 19.876 1.00 27.05 C ATOM 2267 O SER B 790 -15.547 24.937 20.258 1.00 29.69 O ATOM 2268 CB SER B 790 -16.114 27.914 21.194 1.00 36.29 C ATOM 2269 OG SER B 790 -16.537 28.475 19.931 1.00 39.14 O ATOM 0 H SER B 790 -14.062 28.781 20.127 1.00 26.24 H new ATOM 0 HA SER B 790 -14.515 26.728 21.723 1.00 29.74 H new ATOM 0 HB2 SER B 790 -16.802 27.342 21.568 1.00 36.29 H new ATOM 0 HB3 SER B 790 -15.942 28.613 21.844 1.00 36.29 H new ATOM 0 HG SER B 790 -17.238 28.923 20.044 1.00 39.14 H new ATOM 2270 N LYS B 791 -14.893 26.240 18.577 1.00 24.96 N ATOM 2271 CA LYS B 791 -15.156 25.216 17.549 1.00 23.86 C ATOM 2272 C LYS B 791 -14.116 24.070 17.557 1.00 25.09 C ATOM 2273 O LYS B 791 -14.329 23.025 16.949 1.00 24.28 O ATOM 2274 CB LYS B 791 -15.090 25.883 16.179 1.00 26.51 C ATOM 2275 CG LYS B 791 -16.295 26.796 15.814 1.00 31.16 C ATOM 2276 CD LYS B 791 -15.930 27.816 14.699 1.00 35.32 C ATOM 2277 CE LYS B 791 -17.091 28.767 14.462 1.00 41.22 C ATOM 2278 NZ LYS B 791 -18.222 28.138 13.727 1.00 40.85 N ATOM 0 H LYS B 791 -14.572 26.978 18.274 1.00 24.96 H new ATOM 0 HA LYS B 791 -16.027 24.835 17.740 1.00 23.86 H new ATOM 0 HB2 LYS B 791 -14.279 26.413 16.134 1.00 26.51 H new ATOM 0 HB3 LYS B 791 -15.014 25.191 15.504 1.00 26.51 H new ATOM 0 HG2 LYS B 791 -17.039 26.247 15.520 1.00 31.16 H new ATOM 0 HG3 LYS B 791 -16.590 27.273 16.605 1.00 31.16 H new ATOM 0 HD2 LYS B 791 -15.139 28.317 14.955 1.00 35.32 H new ATOM 0 HD3 LYS B 791 -15.715 27.346 13.878 1.00 35.32 H new ATOM 0 HE2 LYS B 791 -17.411 29.097 15.316 1.00 41.22 H new ATOM 0 HE3 LYS B 791 -16.775 29.536 13.962 1.00 41.22 H new ATOM 0 HZ1 LYS B 791 -18.921 28.689 13.729 1.00 40.85 H new ATOM 0 HZ2 LYS B 791 -17.976 27.974 12.888 1.00 40.85 H new ATOM 0 HZ3 LYS B 791 -18.447 27.374 14.125 1.00 40.85 H new ATOM 2279 N SER B 792 -13.046 24.224 18.330 1.00 24.03 N ATOM 2280 CA SER B 792 -12.093 23.091 18.554 1.00 22.84 C ATOM 2281 C SER B 792 -12.772 21.853 19.147 1.00 25.59 C ATOM 2282 O SER B 792 -12.240 20.709 18.997 1.00 26.28 O ATOM 2283 CB SER B 792 -10.945 23.571 19.442 1.00 23.52 C ATOM 2284 OG SER B 792 -11.357 23.812 20.803 1.00 22.41 O ATOM 0 H SER B 792 -12.840 24.954 18.735 1.00 24.03 H new ATOM 0 HA SER B 792 -11.746 22.815 17.691 1.00 22.84 H new ATOM 0 HB2 SER B 792 -10.237 22.908 19.435 1.00 23.52 H new ATOM 0 HB3 SER B 792 -10.574 24.387 19.071 1.00 23.52 H new ATOM 0 HG SER B 792 -11.681 24.585 20.865 1.00 22.41 H new ATOM 2285 N CYS B 793 -13.971 22.004 19.752 1.00 27.72 N ATOM 2286 CA CYS B 793 -14.625 20.858 20.396 1.00 29.14 C ATOM 2287 C CYS B 793 -14.930 19.753 19.402 1.00 29.04 C ATOM 2288 O CYS B 793 -14.852 18.568 19.768 1.00 27.68 O ATOM 2289 CB CYS B 793 -15.915 21.262 21.163 1.00 34.35 C ATOM 2290 SG CYS B 793 -17.232 21.869 20.069 1.00 36.81 S ATOM 0 H CYS B 793 -14.406 22.744 19.797 1.00 27.72 H new ATOM 0 HA CYS B 793 -13.990 20.520 21.047 1.00 29.14 H new ATOM 0 HB2 CYS B 793 -16.242 20.496 21.661 1.00 34.35 H new ATOM 0 HB3 CYS B 793 -15.698 21.950 21.811 1.00 34.35 H new ATOM 0 HG CYS B 793 -18.195 22.160 20.724 1.00 36.81 H new ATOM 2291 N PHE B 794 -15.203 20.124 18.123 1.00 21.88 N ATOM 2292 CA PHE B 794 -15.464 19.148 17.112 1.00 21.06 C ATOM 2293 C PHE B 794 -14.256 18.273 16.765 1.00 22.86 C ATOM 2294 O PHE B 794 -14.431 17.213 16.201 1.00 24.66 O ATOM 2295 CB PHE B 794 -15.969 19.806 15.830 1.00 24.93 C ATOM 2296 CG PHE B 794 -17.316 20.568 16.019 1.00 23.06 C ATOM 2297 CD1 PHE B 794 -18.447 19.863 16.312 1.00 24.40 C ATOM 2298 CD2 PHE B 794 -17.359 21.962 15.925 1.00 24.03 C ATOM 2299 CE1 PHE B 794 -19.672 20.520 16.472 1.00 26.40 C ATOM 2300 CE2 PHE B 794 -18.579 22.651 16.101 1.00 27.08 C ATOM 2301 CZ PHE B 794 -19.725 21.902 16.386 1.00 24.13 C ATOM 0 H PHE B 794 -15.235 20.940 17.852 1.00 21.88 H new ATOM 0 HA PHE B 794 -16.145 18.572 17.493 1.00 21.06 H new ATOM 0 HB2 PHE B 794 -15.297 20.425 15.505 1.00 24.93 H new ATOM 0 HB3 PHE B 794 -16.082 19.126 15.147 1.00 24.93 H new ATOM 0 HD1 PHE B 794 -18.403 18.939 16.406 1.00 24.40 H new ATOM 0 HD2 PHE B 794 -16.580 22.438 15.746 1.00 24.03 H new ATOM 0 HE1 PHE B 794 -20.447 20.032 16.635 1.00 26.40 H new ATOM 0 HE2 PHE B 794 -18.619 23.577 16.029 1.00 27.08 H new ATOM 0 HZ PHE B 794 -20.535 22.338 16.520 1.00 24.13 H new ATOM 2302 N PHE B 795 -13.066 18.800 17.014 1.00 25.24 N ATOM 2303 CA PHE B 795 -11.816 18.193 16.578 1.00 23.44 C ATOM 2304 C PHE B 795 -10.982 17.571 17.742 1.00 25.54 C ATOM 2305 O PHE B 795 -9.888 17.047 17.458 1.00 24.44 O ATOM 2306 CB PHE B 795 -11.029 19.276 15.892 1.00 24.81 C ATOM 2307 CG PHE B 795 -11.753 19.813 14.683 1.00 26.84 C ATOM 2308 CD1 PHE B 795 -11.886 19.006 13.564 1.00 24.90 C ATOM 2309 CD2 PHE B 795 -12.379 21.027 14.711 1.00 28.54 C ATOM 2310 CE1 PHE B 795 -12.615 19.450 12.430 1.00 27.18 C ATOM 2311 CE2 PHE B 795 -13.116 21.466 13.598 1.00 26.75 C ATOM 2312 CZ PHE B 795 -13.212 20.691 12.472 1.00 26.63 C ATOM 0 H PHE B 795 -12.959 19.534 17.449 1.00 25.24 H new ATOM 0 HA PHE B 795 -12.016 17.451 15.986 1.00 23.44 H new ATOM 0 HB2 PHE B 795 -10.861 19.999 16.516 1.00 24.81 H new ATOM 0 HB3 PHE B 795 -10.165 18.927 15.623 1.00 24.81 H new ATOM 0 HD1 PHE B 795 -11.493 18.163 13.556 1.00 24.90 H new ATOM 0 HD2 PHE B 795 -12.317 21.564 15.468 1.00 28.54 H new ATOM 0 HE1 PHE B 795 -12.688 18.914 11.674 1.00 27.18 H new ATOM 0 HE2 PHE B 795 -13.543 22.292 13.626 1.00 26.75 H new ATOM 0 HZ PHE B 795 -13.682 21.004 11.733 1.00 26.63 H new ATOM 2313 N ALA B 796 -11.467 17.658 18.986 1.00 24.97 N ATOM 2314 CA ALA B 796 -10.663 17.347 20.194 1.00 25.90 C ATOM 2315 C ALA B 796 -10.528 15.849 20.396 1.00 24.66 C ATOM 2316 O ALA B 796 -9.431 15.375 20.659 1.00 23.49 O ATOM 2317 CB ALA B 796 -11.238 18.027 21.452 1.00 27.13 C ATOM 0 H ALA B 796 -12.274 17.899 19.161 1.00 24.97 H new ATOM 0 HA ALA B 796 -9.775 17.709 20.048 1.00 25.90 H new ATOM 0 HB1 ALA B 796 -10.690 17.803 22.220 1.00 27.13 H new ATOM 0 HB2 ALA B 796 -11.241 18.989 21.327 1.00 27.13 H new ATOM 0 HB3 ALA B 796 -12.145 17.718 21.601 1.00 27.13 H new ATOM 2318 N SER B 797 -11.624 15.094 20.256 1.00 25.78 N ATOM 2319 CA SER B 797 -11.676 13.683 20.540 1.00 28.27 C ATOM 2320 C SER B 797 -11.706 12.841 19.310 1.00 28.92 C ATOM 2321 O SER B 797 -11.893 13.360 18.237 1.00 27.01 O ATOM 2322 CB SER B 797 -12.963 13.352 21.343 1.00 34.85 C ATOM 2323 OG SER B 797 -12.877 13.957 22.593 1.00 43.92 O ATOM 0 H SER B 797 -12.375 15.413 19.983 1.00 25.78 H new ATOM 0 HA SER B 797 -10.870 13.483 21.041 1.00 28.27 H new ATOM 0 HB2 SER B 797 -13.747 13.671 20.868 1.00 34.85 H new ATOM 0 HB3 SER B 797 -13.061 12.392 21.440 1.00 34.85 H new ATOM 0 HG SER B 797 -13.570 13.785 23.036 1.00 43.92 H new ATOM 2324 N GLU B 798 -11.554 11.524 19.488 1.00 28.23 N ATOM 2325 CA GLU B 798 -11.509 10.583 18.377 1.00 32.23 C ATOM 2326 C GLU B 798 -12.825 10.658 17.569 1.00 41.21 C ATOM 2327 O GLU B 798 -13.909 10.538 18.131 1.00 39.18 O ATOM 2328 CB GLU B 798 -11.345 9.169 18.869 1.00 38.90 C ATOM 2329 CG GLU B 798 -11.052 8.173 17.771 1.00 45.83 C ATOM 2330 CD GLU B 798 -10.626 6.800 18.286 1.00 51.32 C ATOM 2331 OE1 GLU B 798 -10.262 5.986 17.448 1.00 61.63 O ATOM 2332 OE2 GLU B 798 -10.665 6.514 19.498 1.00 52.94 O ATOM 0 H GLU B 798 -11.474 11.156 20.261 1.00 28.23 H new ATOM 0 HA GLU B 798 -10.751 10.823 17.821 1.00 32.23 H new ATOM 0 HB2 GLU B 798 -10.625 9.143 19.519 1.00 38.90 H new ATOM 0 HB3 GLU B 798 -12.154 8.900 19.331 1.00 38.90 H new ATOM 0 HG2 GLU B 798 -11.842 8.071 17.218 1.00 45.83 H new ATOM 0 HG3 GLU B 798 -10.351 8.528 17.202 1.00 45.83 H new ATOM 2333 N PRO B 799 -12.739 10.899 16.264 1.00 39.87 N ATOM 2334 CA PRO B 799 -14.012 11.012 15.576 1.00 46.35 C ATOM 2335 C PRO B 799 -14.626 9.654 15.326 1.00 47.18 C ATOM 2336 O PRO B 799 -13.922 8.632 15.201 1.00 42.55 O ATOM 2337 CB PRO B 799 -13.663 11.717 14.251 1.00 53.13 C ATOM 2338 CG PRO B 799 -12.205 11.565 14.080 1.00 47.51 C ATOM 2339 CD PRO B 799 -11.589 11.134 15.386 1.00 45.19 C ATOM 0 HA PRO B 799 -14.669 11.501 16.096 1.00 46.35 H new ATOM 0 HB2 PRO B 799 -14.143 11.318 13.509 1.00 53.13 H new ATOM 0 HB3 PRO B 799 -13.913 12.654 14.280 1.00 53.13 H new ATOM 0 HG2 PRO B 799 -12.017 10.909 13.390 1.00 47.51 H new ATOM 0 HG3 PRO B 799 -11.815 12.404 13.788 1.00 47.51 H new ATOM 0 HD2 PRO B 799 -11.055 10.331 15.278 1.00 45.19 H new ATOM 0 HD3 PRO B 799 -11.003 11.819 15.745 1.00 45.19 H new ATOM 2340 N TYR B 800 -15.948 9.673 15.288 1.00 54.24 N ATOM 2341 CA TYR B 800 -16.735 8.566 14.760 1.00 65.76 C ATOM 2342 C TYR B 800 -16.969 8.767 13.236 1.00 66.19 C ATOM 2343 O TYR B 800 -17.423 9.849 12.778 1.00 64.23 O ATOM 2344 CB TYR B 800 -18.078 8.521 15.470 1.00 67.56 C ATOM 2345 CG TYR B 800 -18.891 7.385 14.984 1.00 85.52 C ATOM 2346 CD1 TYR B 800 -18.485 6.078 15.245 1.00 93.72 C ATOM 2347 CD2 TYR B 800 -20.053 7.594 14.225 1.00 97.41 C ATOM 2348 CE1 TYR B 800 -19.219 5.007 14.793 1.00100.17 C ATOM 2349 CE2 TYR B 800 -20.798 6.522 13.760 1.00102.79 C ATOM 2350 CZ TYR B 800 -20.373 5.229 14.050 1.00107.28 C ATOM 2351 OH TYR B 800 -21.098 4.157 13.607 1.00116.63 O ATOM 0 H TYR B 800 -16.421 10.334 15.570 1.00 54.24 H new ATOM 0 HA TYR B 800 -16.257 7.735 14.906 1.00 65.76 H new ATOM 0 HB2 TYR B 800 -17.940 8.440 16.427 1.00 67.56 H new ATOM 0 HB3 TYR B 800 -18.555 9.352 15.322 1.00 67.56 H new ATOM 0 HD1 TYR B 800 -17.707 5.928 15.732 1.00 93.72 H new ATOM 0 HD2 TYR B 800 -20.326 8.462 14.032 1.00 97.41 H new ATOM 0 HE1 TYR B 800 -18.945 4.139 14.983 1.00100.17 H new ATOM 0 HE2 TYR B 800 -21.570 6.665 13.262 1.00102.79 H new ATOM 0 HH TYR B 800 -21.766 4.429 13.176 1.00116.63 H new ATOM 2352 N TYR B 801 -16.671 7.741 12.453 1.00 58.64 N ATOM 2353 CA TYR B 801 -16.917 7.814 11.024 1.00 63.05 C ATOM 2354 C TYR B 801 -17.956 6.743 10.570 1.00 71.52 C ATOM 2355 O TYR B 801 -19.180 6.944 10.744 1.00 70.86 O ATOM 2356 CB TYR B 801 -15.594 7.716 10.282 1.00 50.41 C ATOM 2357 CG TYR B 801 -14.682 8.883 10.437 1.00 44.70 C ATOM 2358 CD1 TYR B 801 -15.131 10.182 10.261 1.00 37.96 C ATOM 2359 CD2 TYR B 801 -13.341 8.683 10.718 1.00 51.60 C ATOM 2360 CE1 TYR B 801 -14.280 11.253 10.343 1.00 37.27 C ATOM 2361 CE2 TYR B 801 -12.466 9.766 10.835 1.00 46.95 C ATOM 2362 CZ TYR B 801 -12.966 11.039 10.648 1.00 39.60 C ATOM 2363 OH TYR B 801 -12.116 12.087 10.767 1.00 46.43 O ATOM 0 H TYR B 801 -16.329 7.001 12.726 1.00 58.64 H new ATOM 0 HA TYR B 801 -17.316 8.670 10.805 1.00 63.05 H new ATOM 0 HB2 TYR B 801 -15.130 6.920 10.585 1.00 50.41 H new ATOM 0 HB3 TYR B 801 -15.779 7.594 9.338 1.00 50.41 H new ATOM 0 HD1 TYR B 801 -16.032 10.331 10.083 1.00 37.96 H new ATOM 0 HD2 TYR B 801 -13.019 7.818 10.830 1.00 51.60 H new ATOM 0 HE1 TYR B 801 -14.594 12.116 10.193 1.00 37.27 H new ATOM 0 HE2 TYR B 801 -11.567 9.632 11.034 1.00 46.95 H new ATOM 0 HH TYR B 801 -12.426 12.748 10.352 1.00 46.43 H new ATOM 2364 N ASN B 802 -17.454 5.627 10.023 1.00 74.59 N ATOM 2365 CA ASN B 802 -18.231 4.517 9.484 1.00 75.79 C ATOM 2366 C ASN B 802 -17.866 3.313 10.365 1.00 87.70 C ATOM 2367 O ASN B 802 -16.974 2.540 9.993 1.00103.15 O ATOM 2368 CB ASN B 802 -17.821 4.219 7.999 1.00 68.37 C ATOM 2369 CG ASN B 802 -17.875 5.458 7.059 1.00 49.56 C ATOM 2370 OD1 ASN B 802 -18.905 6.046 6.886 1.00 45.02 O ATOM 2371 ND2 ASN B 802 -16.758 5.809 6.427 1.00 43.37 N ATOM 0 H ASN B 802 -16.607 5.497 9.956 1.00 74.59 H new ATOM 0 HA ASN B 802 -19.181 4.713 9.487 1.00 75.79 H new ATOM 0 HB2 ASN B 802 -16.921 3.858 7.989 1.00 68.37 H new ATOM 0 HB3 ASN B 802 -18.406 3.531 7.645 1.00 68.37 H new ATOM 0 HD21 ASN B 802 -16.764 6.472 5.879 1.00 43.37 H new ATOM 0 HD22 ASN B 802 -16.030 5.373 6.566 1.00 43.37 H new ATOM 2372 N ARG B 803 -18.496 3.168 11.538 1.00105.02 N ATOM 2373 CA ARG B 803 -18.154 2.054 12.458 1.00115.66 C ATOM 2374 C ARG B 803 -18.515 0.706 11.824 1.00114.22 C ATOM 2375 O ARG B 803 -19.659 0.530 11.416 1.00105.56 O ATOM 2376 CB ARG B 803 -18.866 2.146 13.806 1.00110.97 C ATOM 0 H ARG B 803 -19.116 3.692 11.823 1.00105.02 H new ATOM 0 HA ARG B 803 -17.199 2.125 12.612 1.00115.66 H new ATOM 2377 N GLU B 804 -17.566 -0.229 11.690 1.00126.18 N ATOM 2378 CA GLU B 804 -16.117 -0.015 11.892 1.00124.20 C ATOM 2379 C GLU B 804 -15.354 -0.689 10.747 1.00121.47 C ATOM 2380 O GLU B 804 -15.095 -0.037 9.728 1.00128.58 O ATOM 2381 CB GLU B 804 -15.658 -0.494 13.281 1.00116.62 C ATOM 0 H GLU B 804 -17.753 -1.039 11.470 1.00126.18 H new ATOM 0 HA GLU B 804 -15.922 0.935 11.872 1.00124.20 H new ATOM 2382 N GLY B 805 -15.028 -1.977 10.882 1.00119.26 N ATOM 2383 CA GLY B 805 -14.141 -2.645 9.931 1.00117.65 C ATOM 2384 C GLY B 805 -12.881 -1.817 9.706 1.00126.80 C ATOM 2385 O GLY B 805 -12.297 -1.300 10.668 1.00140.01 O ATOM 0 H GLY B 805 -15.311 -2.481 11.519 1.00119.26 H new ATOM 0 HA2 GLY B 805 -13.902 -3.524 10.265 1.00117.65 H new ATOM 0 HA3 GLY B 805 -14.602 -2.778 9.088 1.00117.65 H new ATOM 2386 N SER B 806 -12.479 -1.680 8.440 1.00129.93 N ATOM 2387 CA SER B 806 -11.376 -0.791 8.033 1.00121.25 C ATOM 2388 C SER B 806 -11.849 0.531 7.358 1.00116.90 C ATOM 2389 O SER B 806 -11.008 1.299 6.866 1.00117.66 O ATOM 2390 CB SER B 806 -10.406 -1.550 7.107 1.00115.09 C ATOM 0 H SER B 806 -12.840 -2.103 7.784 1.00129.93 H new ATOM 0 HA SER B 806 -10.922 -0.525 8.848 1.00121.25 H new ATOM 2391 N GLN B 807 -13.158 0.833 7.387 1.00104.22 N ATOM 2392 CA GLN B 807 -13.725 2.000 6.653 1.00 92.31 C ATOM 2393 C GLN B 807 -13.485 3.401 7.318 1.00 72.13 C ATOM 2394 O GLN B 807 -14.156 4.391 6.983 1.00 61.07 O ATOM 2395 CB GLN B 807 -15.223 1.758 6.331 1.00 86.92 C ATOM 0 H GLN B 807 -13.741 0.378 7.825 1.00104.22 H new ATOM 0 HA GLN B 807 -13.220 2.054 5.826 1.00 92.31 H new ATOM 2396 N GLY B 808 -12.548 3.482 8.266 1.00 62.96 N ATOM 2397 CA GLY B 808 -11.938 4.763 8.655 1.00 57.38 C ATOM 2398 C GLY B 808 -10.861 5.239 7.660 1.00 49.70 C ATOM 2399 O GLY B 808 -10.422 4.489 6.754 1.00 51.21 O ATOM 0 H GLY B 808 -12.248 2.803 8.700 1.00 62.96 H new ATOM 0 HA2 GLY B 808 -12.631 5.439 8.723 1.00 57.38 H new ATOM 0 HA3 GLY B 808 -11.542 4.673 9.536 1.00 57.38 H new ATOM 2400 N PRO B 809 -10.412 6.489 7.828 1.00 43.85 N ATOM 2401 CA PRO B 809 -9.446 7.059 6.907 1.00 42.79 C ATOM 2402 C PRO B 809 -8.068 6.407 7.078 1.00 48.28 C ATOM 2403 O PRO B 809 -7.839 5.610 8.065 1.00 45.89 O ATOM 2404 CB PRO B 809 -9.386 8.544 7.342 1.00 40.68 C ATOM 2405 CG PRO B 809 -9.546 8.462 8.824 1.00 42.51 C ATOM 2406 CD PRO B 809 -10.542 7.320 9.054 1.00 46.07 C ATOM 0 HA PRO B 809 -9.692 6.931 5.977 1.00 42.79 H new ATOM 0 HB2 PRO B 809 -8.545 8.958 7.093 1.00 40.68 H new ATOM 0 HB3 PRO B 809 -10.092 9.068 6.932 1.00 40.68 H new ATOM 0 HG2 PRO B 809 -8.698 8.281 9.259 1.00 42.51 H new ATOM 0 HG3 PRO B 809 -9.879 9.297 9.188 1.00 42.51 H new ATOM 0 HD2 PRO B 809 -10.326 6.814 9.853 1.00 46.07 H new ATOM 0 HD3 PRO B 809 -11.446 7.653 9.165 1.00 46.07 H new ATOM 2407 N GLN B 810 -7.159 6.820 6.188 1.00 47.13 N ATOM 2408 CA GLN B 810 -5.823 6.254 6.133 1.00 58.75 C ATOM 2409 C GLN B 810 -5.087 6.495 7.458 1.00 50.78 C ATOM 2410 O GLN B 810 -4.491 5.568 8.020 1.00 57.54 O ATOM 2411 CB GLN B 810 -5.034 6.823 4.950 1.00 68.10 C ATOM 2412 CG GLN B 810 -3.792 5.996 4.613 1.00 80.84 C ATOM 2413 CD GLN B 810 -2.629 6.859 4.148 1.00 90.31 C ATOM 2414 OE1 GLN B 810 -1.992 7.562 4.945 1.00 97.02 O ATOM 2415 NE2 GLN B 810 -2.350 6.815 2.852 1.00 91.07 N ATOM 0 H GLN B 810 -7.306 7.434 5.604 1.00 47.13 H new ATOM 0 HA GLN B 810 -5.901 5.296 5.999 1.00 58.75 H new ATOM 0 HB2 GLN B 810 -5.611 6.864 4.171 1.00 68.10 H new ATOM 0 HB3 GLN B 810 -4.766 7.733 5.153 1.00 68.10 H new ATOM 0 HG2 GLN B 810 -3.523 5.489 5.395 1.00 80.84 H new ATOM 0 HG3 GLN B 810 -4.012 5.354 3.920 1.00 80.84 H new ATOM 0 HE21 GLN B 810 -2.814 6.315 2.329 1.00 91.07 H new ATOM 0 HE22 GLN B 810 -1.705 7.287 2.535 1.00 91.07 H new ATOM 2416 N LYS B 811 -5.128 7.717 7.961 1.00 36.43 N ATOM 2417 CA LYS B 811 -4.647 7.973 9.332 1.00 35.11 C ATOM 2418 C LYS B 811 -5.621 8.911 10.113 1.00 31.20 C ATOM 2419 O LYS B 811 -5.677 10.087 9.814 1.00 29.23 O ATOM 2420 CB LYS B 811 -3.280 8.600 9.285 1.00 41.22 C ATOM 2421 CG LYS B 811 -2.621 8.755 10.653 1.00 43.67 C ATOM 2422 CD LYS B 811 -1.183 9.199 10.432 1.00 48.63 C ATOM 2423 CE LYS B 811 -0.562 9.760 11.688 1.00 49.86 C ATOM 2424 NZ LYS B 811 0.768 10.370 11.384 1.00 56.27 N ATOM 0 H LYS B 811 -5.423 8.408 7.543 1.00 36.43 H new ATOM 0 HA LYS B 811 -4.605 7.122 9.796 1.00 35.11 H new ATOM 0 HB2 LYS B 811 -2.706 8.060 8.719 1.00 41.22 H new ATOM 0 HB3 LYS B 811 -3.349 9.473 8.869 1.00 41.22 H new ATOM 0 HG2 LYS B 811 -3.099 9.407 11.188 1.00 43.67 H new ATOM 0 HG3 LYS B 811 -2.646 7.916 11.139 1.00 43.67 H new ATOM 0 HD2 LYS B 811 -0.657 8.445 10.122 1.00 48.63 H new ATOM 0 HD3 LYS B 811 -1.157 9.870 9.732 1.00 48.63 H new ATOM 0 HE2 LYS B 811 -1.149 10.427 12.076 1.00 49.86 H new ATOM 0 HE3 LYS B 811 -0.458 9.056 12.347 1.00 49.86 H new ATOM 0 HZ1 LYS B 811 1.401 9.945 11.843 1.00 56.27 H new ATOM 0 HZ2 LYS B 811 0.935 10.299 10.513 1.00 56.27 H new ATOM 0 HZ3 LYS B 811 0.760 11.229 11.615 1.00 56.27 H new ATOM 2425 N PRO B 812 -6.351 8.381 11.077 1.00 29.20 N ATOM 2426 CA PRO B 812 -7.241 9.239 11.865 1.00 30.08 C ATOM 2427 C PRO B 812 -6.400 10.154 12.803 1.00 33.82 C ATOM 2428 O PRO B 812 -5.256 9.819 13.167 1.00 29.06 O ATOM 2429 CB PRO B 812 -8.141 8.233 12.611 1.00 34.54 C ATOM 2430 CG PRO B 812 -7.396 6.975 12.605 1.00 37.01 C ATOM 2431 CD PRO B 812 -6.530 6.961 11.400 1.00 35.42 C ATOM 0 HA PRO B 812 -7.777 9.857 11.343 1.00 30.08 H new ATOM 0 HB2 PRO B 812 -8.322 8.529 13.517 1.00 34.54 H new ATOM 0 HB3 PRO B 812 -8.999 8.135 12.168 1.00 34.54 H new ATOM 0 HG2 PRO B 812 -6.860 6.895 13.409 1.00 37.01 H new ATOM 0 HG3 PRO B 812 -8.005 6.220 12.594 1.00 37.01 H new ATOM 0 HD2 PRO B 812 -5.681 6.527 11.578 1.00 35.42 H new ATOM 0 HD3 PRO B 812 -6.947 6.480 10.668 1.00 35.42 H new ATOM 2432 N MET B 813 -6.903 11.341 13.095 1.00 26.68 N ATOM 2433 CA MET B 813 -6.160 12.316 13.929 1.00 25.69 C ATOM 2434 C MET B 813 -7.150 13.244 14.633 1.00 26.84 C ATOM 2435 O MET B 813 -8.250 13.523 14.100 1.00 23.95 O ATOM 2436 CB MET B 813 -5.190 13.123 13.066 1.00 24.78 C ATOM 2437 CG MET B 813 -4.126 13.913 13.785 1.00 25.31 C ATOM 2438 SD MET B 813 -3.166 13.012 15.077 1.00 29.08 S ATOM 2439 CE MET B 813 -2.498 11.714 13.979 1.00 31.00 C ATOM 0 H MET B 813 -7.673 11.616 12.827 1.00 26.68 H new ATOM 0 HA MET B 813 -5.645 11.838 14.597 1.00 25.69 H new ATOM 0 HB2 MET B 813 -4.750 12.511 12.455 1.00 24.78 H new ATOM 0 HB3 MET B 813 -5.709 13.739 12.525 1.00 24.78 H new ATOM 0 HG2 MET B 813 -3.502 14.253 13.125 1.00 25.31 H new ATOM 0 HG3 MET B 813 -4.547 14.682 14.200 1.00 25.31 H new ATOM 0 HE1 MET B 813 -1.620 11.445 14.293 1.00 31.00 H new ATOM 0 HE2 MET B 813 -3.092 10.947 13.985 1.00 31.00 H new ATOM 0 HE3 MET B 813 -2.426 12.060 13.076 1.00 31.00 H new ATOM 2440 N TRP B 814 -6.786 13.654 15.839 1.00 21.93 N ATOM 2441 CA TRP B 814 -7.619 14.544 16.625 1.00 22.48 C ATOM 2442 C TRP B 814 -6.711 15.311 17.581 1.00 21.53 C ATOM 2443 O TRP B 814 -5.520 14.965 17.768 1.00 20.99 O ATOM 2444 CB TRP B 814 -8.775 13.789 17.307 1.00 23.38 C ATOM 2445 CG TRP B 814 -8.379 12.642 18.184 1.00 24.42 C ATOM 2446 CD1 TRP B 814 -8.205 12.697 19.498 1.00 26.58 C ATOM 2447 CD2 TRP B 814 -8.069 11.314 17.786 1.00 27.22 C ATOM 2448 NE1 TRP B 814 -7.817 11.493 19.990 1.00 27.50 N ATOM 2449 CE2 TRP B 814 -7.746 10.608 18.948 1.00 30.74 C ATOM 2450 CE3 TRP B 814 -8.085 10.633 16.557 1.00 30.52 C ATOM 2451 CZ2 TRP B 814 -7.376 9.247 18.939 1.00 30.99 C ATOM 2452 CZ3 TRP B 814 -7.724 9.297 16.518 1.00 31.36 C ATOM 2453 CH2 TRP B 814 -7.386 8.600 17.711 1.00 34.30 C ATOM 0 H TRP B 814 -6.051 13.424 16.223 1.00 21.93 H new ATOM 0 HA TRP B 814 -8.069 15.190 16.058 1.00 22.48 H new ATOM 0 HB2 TRP B 814 -9.282 14.422 17.840 1.00 23.38 H new ATOM 0 HB3 TRP B 814 -9.372 13.456 16.619 1.00 23.38 H new ATOM 0 HD1 TRP B 814 -8.332 13.460 20.014 1.00 26.58 H new ATOM 0 HE1 TRP B 814 -7.645 11.317 20.814 1.00 27.50 H new ATOM 0 HE3 TRP B 814 -8.335 11.075 15.778 1.00 30.52 H new ATOM 0 HZ2 TRP B 814 -7.136 8.803 19.720 1.00 30.99 H new ATOM 0 HZ3 TRP B 814 -7.702 8.850 15.703 1.00 31.36 H new ATOM 0 HH2 TRP B 814 -7.168 7.697 17.668 1.00 34.30 H new ATOM 2454 N LEU B 815 -7.221 16.426 18.102 1.00 18.69 N ATOM 2455 CA LEU B 815 -6.395 17.294 18.844 1.00 18.91 C ATOM 2456 C LEU B 815 -5.806 16.639 20.114 1.00 19.42 C ATOM 2457 O LEU B 815 -4.632 16.808 20.372 1.00 19.59 O ATOM 2458 CB LEU B 815 -7.075 18.599 19.217 1.00 20.64 C ATOM 2459 CG LEU B 815 -7.507 19.430 18.048 1.00 19.44 C ATOM 2460 CD1 LEU B 815 -8.416 20.547 18.554 1.00 21.65 C ATOM 2461 CD2 LEU B 815 -6.345 20.093 17.315 1.00 20.54 C ATOM 0 H LEU B 815 -8.040 16.675 18.025 1.00 18.69 H new ATOM 0 HA LEU B 815 -5.664 17.495 18.239 1.00 18.91 H new ATOM 0 HB2 LEU B 815 -7.852 18.401 19.763 1.00 20.64 H new ATOM 0 HB3 LEU B 815 -6.468 19.122 19.765 1.00 20.64 H new ATOM 0 HG LEU B 815 -7.953 18.831 17.429 1.00 19.44 H new ATOM 0 HD11 LEU B 815 -8.704 21.094 17.806 1.00 21.65 H new ATOM 0 HD12 LEU B 815 -9.192 20.161 18.989 1.00 21.65 H new ATOM 0 HD13 LEU B 815 -7.931 21.097 19.188 1.00 21.65 H new ATOM 0 HD21 LEU B 815 -6.686 20.615 16.572 1.00 20.54 H new ATOM 0 HD22 LEU B 815 -5.867 20.675 17.926 1.00 20.54 H new ATOM 0 HD23 LEU B 815 -5.742 19.411 16.981 1.00 20.54 H new ATOM 2462 N ASN B 816 -6.568 15.849 20.818 1.00 19.60 N ATOM 2463 CA ASN B 816 -6.079 15.225 22.025 1.00 20.30 C ATOM 2464 C ASN B 816 -4.931 14.233 21.742 1.00 21.08 C ATOM 2465 O ASN B 816 -4.046 14.072 22.603 1.00 21.76 O ATOM 2466 CB ASN B 816 -7.188 14.535 22.750 1.00 21.04 C ATOM 2467 CG ASN B 816 -8.187 15.499 23.424 1.00 23.61 C ATOM 2468 OD1 ASN B 816 -7.978 16.711 23.580 1.00 23.69 O ATOM 2469 ND2 ASN B 816 -9.262 14.910 23.906 1.00 23.34 N ATOM 0 H ASN B 816 -7.381 15.655 20.617 1.00 19.60 H new ATOM 0 HA ASN B 816 -5.724 15.932 22.586 1.00 20.30 H new ATOM 0 HB2 ASN B 816 -7.669 13.969 22.125 1.00 21.04 H new ATOM 0 HB3 ASN B 816 -6.808 13.952 23.426 1.00 21.04 H new ATOM 0 HD21 ASN B 816 -9.844 15.368 24.344 1.00 23.34 H new ATOM 0 HD22 ASN B 816 -9.382 14.067 23.783 1.00 23.34 H new ATOM 2470 N LYS B 817 -4.950 13.594 20.557 1.00 22.23 N ATOM 2471 CA LYS B 817 -3.884 12.748 20.133 1.00 22.56 C ATOM 2472 C LYS B 817 -2.633 13.576 19.831 1.00 25.12 C ATOM 2473 O LYS B 817 -1.525 13.170 20.183 1.00 22.82 O ATOM 2474 CB LYS B 817 -4.319 11.885 18.979 1.00 25.75 C ATOM 2475 CG LYS B 817 -3.264 10.983 18.444 1.00 30.46 C ATOM 2476 CD LYS B 817 -3.826 10.080 17.374 1.00 37.32 C ATOM 2477 CE LYS B 817 -2.707 9.076 17.048 1.00 49.98 C ATOM 2478 NZ LYS B 817 -2.677 8.633 15.629 1.00 63.31 N ATOM 0 H LYS B 817 -5.596 13.656 19.992 1.00 22.23 H new ATOM 0 HA LYS B 817 -3.647 12.142 20.853 1.00 22.56 H new ATOM 0 HB2 LYS B 817 -5.075 11.347 19.261 1.00 25.75 H new ATOM 0 HB3 LYS B 817 -4.631 12.459 18.262 1.00 25.75 H new ATOM 0 HG2 LYS B 817 -2.536 11.510 18.079 1.00 30.46 H new ATOM 0 HG3 LYS B 817 -2.894 10.448 19.164 1.00 30.46 H new ATOM 0 HD2 LYS B 817 -4.623 9.624 17.686 1.00 37.32 H new ATOM 0 HD3 LYS B 817 -4.079 10.588 16.587 1.00 37.32 H new ATOM 0 HE2 LYS B 817 -1.852 9.478 17.269 1.00 49.98 H new ATOM 0 HE3 LYS B 817 -2.810 8.297 17.617 1.00 49.98 H new ATOM 0 HZ1 LYS B 817 -2.276 7.840 15.574 1.00 63.31 H new ATOM 0 HZ2 LYS B 817 -3.509 8.566 15.321 1.00 63.31 H new ATOM 0 HZ3 LYS B 817 -2.228 9.227 15.142 1.00 63.31 H new ATOM 2479 N VAL B 818 -2.769 14.730 19.180 1.00 20.81 N ATOM 2480 CA VAL B 818 -1.657 15.618 18.995 1.00 20.55 C ATOM 2481 C VAL B 818 -1.104 16.070 20.325 1.00 20.77 C ATOM 2482 O VAL B 818 0.150 16.120 20.515 1.00 19.48 O ATOM 2483 CB VAL B 818 -1.974 16.825 18.092 1.00 20.81 C ATOM 2484 CG1 VAL B 818 -0.779 17.711 17.921 1.00 22.30 C ATOM 2485 CG2 VAL B 818 -2.352 16.329 16.713 1.00 22.85 C ATOM 0 H VAL B 818 -3.509 15.008 18.840 1.00 20.81 H new ATOM 0 HA VAL B 818 -0.979 15.106 18.527 1.00 20.55 H new ATOM 0 HB VAL B 818 -2.694 17.321 18.511 1.00 20.81 H new ATOM 0 HG11 VAL B 818 -1.010 18.460 17.349 1.00 22.30 H new ATOM 0 HG12 VAL B 818 -0.495 18.042 18.787 1.00 22.30 H new ATOM 0 HG13 VAL B 818 -0.057 17.206 17.516 1.00 22.30 H new ATOM 0 HG21 VAL B 818 -2.553 17.086 16.140 1.00 22.85 H new ATOM 0 HG22 VAL B 818 -1.613 15.826 16.336 1.00 22.85 H new ATOM 0 HG23 VAL B 818 -3.133 15.757 16.777 1.00 22.85 H new ATOM 2486 N LYS B 819 -1.973 16.410 21.270 1.00 20.12 N ATOM 2487 CA LYS B 819 -1.488 16.831 22.591 1.00 20.70 C ATOM 2488 C LYS B 819 -0.627 15.718 23.311 1.00 18.19 C ATOM 2489 O LYS B 819 0.466 16.000 23.862 1.00 20.00 O ATOM 2490 CB LYS B 819 -2.700 17.167 23.458 1.00 23.15 C ATOM 2491 CG LYS B 819 -2.373 17.687 24.836 1.00 25.54 C ATOM 2492 CD LYS B 819 -3.596 17.943 25.684 1.00 30.32 C ATOM 2493 CE LYS B 819 -4.005 19.347 25.549 1.00 32.77 C ATOM 2494 NZ LYS B 819 -4.970 19.776 26.651 1.00 38.57 N ATOM 0 H LYS B 819 -2.828 16.406 21.177 1.00 20.12 H new ATOM 0 HA LYS B 819 -0.910 17.600 22.468 1.00 20.70 H new ATOM 0 HB2 LYS B 819 -3.238 17.829 22.996 1.00 23.15 H new ATOM 0 HB3 LYS B 819 -3.247 16.371 23.549 1.00 23.15 H new ATOM 0 HG2 LYS B 819 -1.801 17.047 25.289 1.00 25.54 H new ATOM 0 HG3 LYS B 819 -1.867 18.510 24.752 1.00 25.54 H new ATOM 0 HD2 LYS B 819 -4.319 17.358 25.409 1.00 30.32 H new ATOM 0 HD3 LYS B 819 -3.405 17.740 26.613 1.00 30.32 H new ATOM 0 HE2 LYS B 819 -3.219 19.915 25.571 1.00 32.77 H new ATOM 0 HE3 LYS B 819 -4.425 19.478 24.685 1.00 32.77 H new ATOM 0 HZ1 LYS B 819 -5.317 20.571 26.450 1.00 38.57 H new ATOM 0 HZ2 LYS B 819 -5.624 19.177 26.723 1.00 38.57 H new ATOM 0 HZ3 LYS B 819 -4.533 19.831 27.424 1.00 38.57 H new ATOM 2495 N THR B 820 -1.126 14.504 23.269 1.00 18.19 N ATOM 2496 CA THR B 820 -0.376 13.345 23.835 1.00 22.90 C ATOM 2497 C THR B 820 0.945 13.162 23.117 1.00 20.17 C ATOM 2498 O THR B 820 1.982 12.941 23.795 1.00 23.21 O ATOM 2499 CB THR B 820 -1.244 12.081 23.668 1.00 24.24 C ATOM 2500 OG1 THR B 820 -2.362 12.280 24.482 1.00 28.66 O ATOM 2501 CG2 THR B 820 -0.478 10.832 24.126 1.00 34.54 C ATOM 0 H THR B 820 -1.889 14.305 22.925 1.00 18.19 H new ATOM 0 HA THR B 820 -0.187 13.505 24.773 1.00 22.90 H new ATOM 0 HB THR B 820 -1.489 11.942 22.740 1.00 24.24 H new ATOM 0 HG1 THR B 820 -2.956 12.685 24.048 1.00 28.66 H new ATOM 0 HG21 THR B 820 -1.039 10.049 24.014 1.00 34.54 H new ATOM 0 HG22 THR B 820 0.326 10.732 23.593 1.00 34.54 H new ATOM 0 HG23 THR B 820 -0.237 10.925 25.061 1.00 34.54 H new ATOM 2502 N SER B 821 0.959 13.274 21.796 1.00 20.84 N ATOM 2503 CA SER B 821 2.178 13.118 21.014 1.00 22.40 C ATOM 2504 C SER B 821 3.236 14.121 21.346 1.00 27.99 C ATOM 2505 O SER B 821 4.435 13.771 21.498 1.00 22.89 O ATOM 2506 CB SER B 821 1.950 13.080 19.499 1.00 24.29 C ATOM 2507 OG SER B 821 1.112 11.990 19.190 1.00 25.94 O ATOM 0 H SER B 821 0.259 13.443 21.325 1.00 20.84 H new ATOM 0 HA SER B 821 2.501 12.243 21.281 1.00 22.40 H new ATOM 0 HB2 SER B 821 1.545 13.909 19.200 1.00 24.29 H new ATOM 0 HB3 SER B 821 2.797 12.994 19.034 1.00 24.29 H new ATOM 0 HG SER B 821 0.325 12.165 19.427 1.00 25.94 H new ATOM 2508 N LEU B 822 2.836 15.382 21.460 1.00 22.23 N ATOM 2509 CA LEU B 822 3.749 16.411 21.932 1.00 23.32 C ATOM 2510 C LEU B 822 4.260 16.196 23.314 1.00 25.22 C ATOM 2511 O LEU B 822 5.415 16.446 23.585 1.00 25.95 O ATOM 2512 CB LEU B 822 3.054 17.793 22.001 1.00 25.68 C ATOM 2513 CG LEU B 822 3.069 18.710 20.869 1.00 27.08 C ATOM 2514 CD1 LEU B 822 2.224 19.978 21.186 1.00 25.71 C ATOM 2515 CD2 LEU B 822 4.523 19.109 20.495 1.00 25.35 C ATOM 0 H LEU B 822 2.045 15.660 21.270 1.00 22.23 H new ATOM 0 HA LEU B 822 4.475 16.371 21.290 1.00 23.32 H new ATOM 0 HB2 LEU B 822 2.123 17.630 22.219 1.00 25.68 H new ATOM 0 HB3 LEU B 822 3.443 18.267 22.753 1.00 25.68 H new ATOM 0 HG LEU B 822 2.675 18.255 20.108 1.00 27.08 H new ATOM 0 HD11 LEU B 822 2.243 20.579 20.425 1.00 25.71 H new ATOM 0 HD12 LEU B 822 1.308 19.719 21.370 1.00 25.71 H new ATOM 0 HD13 LEU B 822 2.594 20.428 21.962 1.00 25.71 H new ATOM 0 HD21 LEU B 822 4.508 19.718 19.741 1.00 25.35 H new ATOM 0 HD22 LEU B 822 4.945 19.544 21.253 1.00 25.35 H new ATOM 0 HD23 LEU B 822 5.026 18.314 20.258 1.00 25.35 H new ATOM 2516 N ASN B 823 3.390 15.780 24.227 1.00 26.47 N ATOM 2517 CA ASN B 823 3.760 15.532 25.651 1.00 28.00 C ATOM 2518 C ASN B 823 4.777 14.367 25.711 1.00 29.18 C ATOM 2519 O ASN B 823 5.709 14.397 26.472 1.00 30.00 O ATOM 2520 CB ASN B 823 2.508 15.218 26.469 1.00 29.44 C ATOM 2521 CG ASN B 823 2.799 14.776 27.914 1.00 35.34 C ATOM 2522 OD1 ASN B 823 2.452 13.664 28.343 1.00 42.55 O ATOM 2523 ND2 ASN B 823 3.401 15.621 28.640 1.00 34.82 N ATOM 0 H ASN B 823 2.561 15.628 24.053 1.00 26.47 H new ATOM 0 HA ASN B 823 4.170 16.324 26.031 1.00 28.00 H new ATOM 0 HB2 ASN B 823 1.940 16.004 26.489 1.00 29.44 H new ATOM 0 HB3 ASN B 823 2.007 14.518 26.021 1.00 29.44 H new ATOM 0 HD21 ASN B 823 3.582 15.432 29.459 1.00 34.82 H new ATOM 0 HD22 ASN B 823 3.629 16.383 28.314 1.00 34.82 H new ATOM 2524 N GLU B 824 4.637 13.408 24.822 1.00 24.29 N ATOM 2525 CA GLU B 824 5.473 12.226 24.804 1.00 29.68 C ATOM 2526 C GLU B 824 6.717 12.447 23.964 1.00 28.32 C ATOM 2527 O GLU B 824 7.460 11.511 23.751 1.00 29.32 O ATOM 2528 CB GLU B 824 4.633 11.020 24.356 1.00 28.52 C ATOM 2529 CG GLU B 824 3.633 10.723 25.452 1.00 38.63 C ATOM 2530 CD GLU B 824 2.707 9.538 25.214 1.00 50.41 C ATOM 2531 OE1 GLU B 824 2.869 8.817 24.229 1.00 58.02 O ATOM 2532 OE2 GLU B 824 1.804 9.313 26.071 1.00 65.79 O ATOM 0 H GLU B 824 4.044 13.423 24.200 1.00 24.29 H new ATOM 0 HA GLU B 824 5.799 12.036 25.697 1.00 29.68 H new ATOM 0 HB2 GLU B 824 4.177 11.214 23.522 1.00 28.52 H new ATOM 0 HB3 GLU B 824 5.201 10.250 24.196 1.00 28.52 H new ATOM 0 HG2 GLU B 824 4.121 10.568 26.276 1.00 38.63 H new ATOM 0 HG3 GLU B 824 3.088 11.513 25.590 1.00 38.63 H new ATOM 2533 N GLN B 825 6.874 13.659 23.403 1.00 28.04 N ATOM 2534 CA GLN B 825 8.002 14.016 22.573 1.00 28.79 C ATOM 2535 C GLN B 825 8.131 13.187 21.328 1.00 29.90 C ATOM 2536 O GLN B 825 9.235 12.798 20.946 1.00 30.69 O ATOM 2537 CB GLN B 825 9.322 14.011 23.424 1.00 33.45 C ATOM 2538 CG GLN B 825 9.229 14.937 24.635 1.00 39.51 C ATOM 2539 CD GLN B 825 10.289 14.672 25.691 1.00 40.03 C ATOM 2540 OE1 GLN B 825 10.426 13.549 26.172 1.00 41.47 O ATOM 2541 NE2 GLN B 825 11.046 15.701 26.042 1.00 32.48 N ATOM 0 H GLN B 825 6.308 14.299 23.506 1.00 28.04 H new ATOM 0 HA GLN B 825 7.838 14.916 22.251 1.00 28.79 H new ATOM 0 HB2 GLN B 825 9.509 13.107 23.723 1.00 33.45 H new ATOM 0 HB3 GLN B 825 10.066 14.285 22.866 1.00 33.45 H new ATOM 0 HG2 GLN B 825 9.305 15.856 24.335 1.00 39.51 H new ATOM 0 HG3 GLN B 825 8.352 14.842 25.038 1.00 39.51 H new ATOM 0 HE21 GLN B 825 10.918 16.471 25.682 1.00 32.48 H new ATOM 0 HE22 GLN B 825 11.665 15.599 26.630 1.00 32.48 H new ATOM 2542 N MET B 826 7.009 12.876 20.683 1.00 27.59 N ATOM 2543 CA AMET B 826 6.999 12.024 19.493 0.59 28.86 C ATOM 2544 CA BMET B 826 6.998 12.024 19.495 0.41 29.50 C ATOM 2545 C MET B 826 7.394 12.766 18.228 1.00 30.68 C ATOM 2546 O MET B 826 7.666 12.155 17.257 1.00 33.85 O ATOM 2547 CB AMET B 826 5.640 11.377 19.280 0.59 30.28 C ATOM 2548 CB BMET B 826 5.638 11.360 19.311 0.41 31.44 C ATOM 2549 CG AMET B 826 5.151 10.481 20.412 0.59 34.04 C ATOM 2550 CG BMET B 826 5.270 10.449 20.471 0.41 35.20 C ATOM 2551 SD AMET B 826 6.235 9.044 20.715 0.59 39.75 S ATOM 2552 SD BMET B 826 3.680 9.607 20.421 0.41 39.92 S ATOM 2553 CE AMET B 826 5.908 8.048 19.255 0.59 39.68 C ATOM 2554 CE BMET B 826 3.674 8.770 18.842 0.41 39.32 C ATOM 0 H AMET B 826 6.231 13.153 20.922 0.59 27.59 H new ATOM 0 H BMET B 826 6.231 13.154 20.922 0.41 27.59 H new ATOM 0 HA AMET B 826 7.665 11.339 19.663 0.59 29.50 H new ATOM 0 HA BMET B 826 7.669 11.341 19.647 0.41 29.50 H new ATOM 0 HB2AMET B 826 4.985 12.078 19.138 0.59 31.44 H new ATOM 0 HB2BMET B 826 4.958 12.045 19.214 0.41 31.44 H new ATOM 0 HB3AMET B 826 5.674 10.852 18.465 0.59 31.44 H new ATOM 0 HB3BMET B 826 5.642 10.845 18.489 0.41 31.44 H new ATOM 0 HG2AMET B 826 5.085 11.005 21.225 0.59 35.20 H new ATOM 0 HG2BMET B 826 5.961 9.773 20.547 0.41 35.20 H new ATOM 0 HG3AMET B 826 4.258 10.166 20.204 0.59 35.20 H new ATOM 0 HG3BMET B 826 5.300 10.978 21.284 0.41 35.20 H new ATOM 0 HE1AMET B 826 6.321 7.177 19.358 0.59 39.32 H new ATOM 0 HE1BMET B 826 2.876 8.223 18.768 0.41 39.32 H new ATOM 0 HE2AMET B 826 4.950 7.940 19.144 0.59 39.32 H new ATOM 0 HE2BMET B 826 3.683 9.426 18.128 0.41 39.32 H new ATOM 0 HE3AMET B 826 6.276 8.489 18.473 0.59 39.32 H new ATOM 0 HE3BMET B 826 4.460 8.206 18.772 0.41 39.32 H new ATOM 2555 N TYR B 827 7.437 14.102 18.249 1.00 25.78 N ATOM 2556 CA TYR B 827 7.791 14.868 17.066 1.00 23.50 C ATOM 2557 C TYR B 827 9.251 15.297 17.130 1.00 25.94 C ATOM 2558 O TYR B 827 9.653 15.932 18.109 1.00 28.52 O ATOM 2559 CB TYR B 827 6.882 16.134 16.912 1.00 24.97 C ATOM 2560 CG TYR B 827 5.426 15.836 16.833 1.00 21.38 C ATOM 2561 CD1 TYR B 827 4.924 15.046 15.845 1.00 22.31 C ATOM 2562 CD2 TYR B 827 4.537 16.316 17.779 1.00 25.40 C ATOM 2563 CE1 TYR B 827 3.562 14.735 15.757 1.00 23.90 C ATOM 2564 CE2 TYR B 827 3.178 16.027 17.718 1.00 22.22 C ATOM 2565 CZ TYR B 827 2.690 15.258 16.688 1.00 22.87 C ATOM 2566 OH TYR B 827 1.391 14.949 16.633 1.00 24.53 O ATOM 0 H TYR B 827 7.263 14.578 18.943 1.00 25.78 H new ATOM 0 HA TYR B 827 7.654 14.295 16.295 1.00 23.50 H new ATOM 0 HB2 TYR B 827 7.040 16.726 17.664 1.00 24.97 H new ATOM 0 HB3 TYR B 827 7.147 16.614 16.112 1.00 24.97 H new ATOM 0 HD1 TYR B 827 5.506 14.701 15.207 1.00 22.31 H new ATOM 0 HD2 TYR B 827 4.857 16.846 18.473 1.00 25.40 H new ATOM 0 HE1 TYR B 827 3.249 14.182 15.078 1.00 23.90 H new ATOM 0 HE2 TYR B 827 2.602 16.353 18.371 1.00 22.22 H new ATOM 0 HH TYR B 827 1.220 14.585 15.896 1.00 24.53 H new ATOM 2567 N THR B 828 10.061 14.952 16.100 1.00 24.10 N ATOM 2568 CA THR B 828 11.463 15.417 16.049 1.00 23.81 C ATOM 2569 C THR B 828 11.678 16.705 15.413 1.00 23.21 C ATOM 2570 O THR B 828 12.629 17.382 15.732 1.00 22.97 O ATOM 2571 CB THR B 828 12.428 14.380 15.403 1.00 25.17 C ATOM 2572 OG1 THR B 828 11.924 13.977 14.155 1.00 26.90 O ATOM 2573 CG2 THR B 828 12.445 13.157 16.281 1.00 26.11 C ATOM 0 H THR B 828 9.820 14.460 15.437 1.00 24.10 H new ATOM 0 HA THR B 828 11.671 15.525 16.990 1.00 23.81 H new ATOM 0 HB THR B 828 13.309 14.774 15.303 1.00 25.17 H new ATOM 0 HG1 THR B 828 12.447 13.419 13.808 1.00 26.90 H new ATOM 0 HG21 THR B 828 13.041 12.493 15.900 1.00 26.11 H new ATOM 0 HG22 THR B 828 12.756 13.399 17.167 1.00 26.11 H new ATOM 0 HG23 THR B 828 11.549 12.790 16.342 1.00 26.11 H new ATOM 2574 N ARG B 829 10.773 17.064 14.503 1.00 25.12 N ATOM 2575 CA AARG B 829 10.806 18.297 13.766 0.49 24.68 C ATOM 2576 CA BARG B 829 10.821 18.337 13.845 0.51 25.28 C ATOM 2577 C ARG B 829 9.402 18.988 13.815 1.00 22.75 C ATOM 2578 O ARG B 829 8.388 18.343 14.009 1.00 23.74 O ATOM 2579 CB AARG B 829 11.194 17.999 12.291 0.49 27.23 C ATOM 2580 CB BARG B 829 11.368 18.164 12.414 0.51 30.07 C ATOM 2581 CG AARG B 829 12.662 17.530 12.141 0.49 28.85 C ATOM 2582 CG BARG B 829 12.877 17.810 12.369 0.51 31.35 C ATOM 2583 CD AARG B 829 13.058 17.131 10.716 0.49 30.97 C ATOM 2584 CD BARG B 829 13.299 17.382 10.974 0.51 36.30 C ATOM 2585 NE AARG B 829 14.472 16.680 10.772 0.49 33.03 N ATOM 2586 NE BARG B 829 14.636 16.750 11.026 0.51 36.84 N ATOM 2587 CZ AARG B 829 14.837 15.474 11.208 0.49 27.79 C ATOM 2588 CZ BARG B 829 15.789 17.370 10.883 0.51 32.42 C ATOM 2589 NH1AARG B 829 13.926 14.552 11.586 0.49 21.84 N ATOM 2590 NH1BARG B 829 16.897 16.653 10.956 0.51 32.97 N ATOM 2591 NH2AARG B 829 16.122 15.190 11.243 0.49 31.04 N ATOM 2592 NH2BARG B 829 15.852 18.677 10.634 0.51 31.96 N ATOM 0 H AARG B 829 10.101 16.568 14.299 0.49 25.12 H new ATOM 0 H BARG B 829 10.117 16.565 14.259 0.51 25.12 H new ATOM 0 HA AARG B 829 11.461 18.892 14.162 0.49 25.28 H new ATOM 0 HA BARG B 829 11.414 18.926 14.338 0.51 25.28 H new ATOM 0 HB2AARG B 829 10.603 17.316 11.937 0.49 30.07 H new ATOM 0 HB2BARG B 829 10.866 17.466 11.965 0.51 30.07 H new ATOM 0 HB3AARG B 829 11.058 18.797 11.757 0.49 30.07 H new ATOM 0 HB3BARG B 829 11.220 18.984 11.917 0.51 30.07 H new ATOM 0 HG2AARG B 829 13.249 18.241 12.441 0.49 31.35 H new ATOM 0 HG2BARG B 829 13.400 18.578 12.647 0.51 31.35 H new ATOM 0 HG3AARG B 829 12.810 16.773 12.730 0.49 31.35 H new ATOM 0 HG3BARG B 829 13.063 17.097 12.999 0.51 31.35 H new ATOM 0 HD2AARG B 829 12.484 16.422 10.385 0.49 36.30 H new ATOM 0 HD2BARG B 829 12.652 16.759 10.608 0.51 36.30 H new ATOM 0 HD3AARG B 829 12.960 17.881 10.109 0.49 36.30 H new ATOM 0 HD3BARG B 829 13.318 18.151 10.383 0.51 36.30 H new ATOM 0 HE AARG B 829 15.085 17.223 10.510 0.49 36.84 H new ATOM 0 HE BARG B 829 14.662 15.901 11.162 0.51 36.84 H new ATOM 0 HH11AARG B 829 13.087 14.736 11.549 0.49 32.97 H new ATOM 0 HH11BARG B 829 16.852 15.805 11.094 0.51 32.97 H new ATOM 0 HH12AARG B 829 14.185 13.780 11.864 0.49 32.97 H new ATOM 0 HH12BARG B 829 17.663 17.034 10.866 0.51 32.97 H new ATOM 0 HH21AARG B 829 16.699 15.775 10.989 0.49 31.96 H new ATOM 0 HH21BARG B 829 15.129 19.137 10.563 0.51 31.96 H new ATOM 0 HH22AARG B 829 16.385 14.419 11.520 0.49 31.96 H new ATOM 0 HH22BARG B 829 16.616 19.061 10.544 0.51 31.96 H new ATOM 2593 N VAL B 830 9.397 20.272 13.588 1.00 23.44 N ATOM 2594 CA VAL B 830 8.137 21.087 13.561 1.00 24.08 C ATOM 2595 C VAL B 830 7.208 20.507 12.508 1.00 26.10 C ATOM 2596 O VAL B 830 6.002 20.329 12.708 1.00 22.90 O ATOM 2597 CB VAL B 830 8.468 22.581 13.314 1.00 24.07 C ATOM 2598 CG1 VAL B 830 7.200 23.287 12.887 1.00 26.35 C ATOM 2599 CG2 VAL B 830 9.098 23.236 14.495 1.00 25.66 C ATOM 0 H VAL B 830 10.110 20.729 13.441 1.00 23.44 H new ATOM 0 HA VAL B 830 7.684 21.047 14.418 1.00 24.08 H new ATOM 0 HB VAL B 830 9.131 22.642 12.608 1.00 24.07 H new ATOM 0 HG11 VAL B 830 7.389 24.225 12.728 1.00 26.35 H new ATOM 0 HG12 VAL B 830 6.863 22.883 12.072 1.00 26.35 H new ATOM 0 HG13 VAL B 830 6.533 23.206 13.587 1.00 26.35 H new ATOM 0 HG21 VAL B 830 9.284 24.165 14.289 1.00 25.66 H new ATOM 0 HG22 VAL B 830 8.494 23.188 15.252 1.00 25.66 H new ATOM 0 HG23 VAL B 830 9.927 22.782 14.714 1.00 25.66 H new ATOM 2600 N GLU B 831 7.803 20.053 11.389 1.00 25.49 N ATOM 2601 CA GLU B 831 7.097 19.321 10.386 1.00 28.02 C ATOM 2602 C GLU B 831 6.144 18.258 10.825 1.00 26.39 C ATOM 2603 O GLU B 831 5.031 18.143 10.275 1.00 25.58 O ATOM 2604 CB GLU B 831 8.127 18.691 9.407 1.00 36.87 C ATOM 2605 CG GLU B 831 7.577 17.909 8.255 1.00 47.65 C ATOM 2606 CD GLU B 831 8.700 17.169 7.496 1.00 57.69 C ATOM 2607 OE1 GLU B 831 9.469 16.381 8.114 1.00 58.12 O ATOM 2608 OE2 GLU B 831 8.815 17.422 6.287 1.00 60.40 O ATOM 0 H GLU B 831 8.636 20.175 11.212 1.00 25.49 H new ATOM 0 HA GLU B 831 6.523 19.990 9.981 1.00 28.02 H new ATOM 0 HB2 GLU B 831 8.680 19.404 9.051 1.00 36.87 H new ATOM 0 HB3 GLU B 831 8.710 18.107 9.917 1.00 36.87 H new ATOM 0 HG2 GLU B 831 6.925 17.268 8.578 1.00 47.65 H new ATOM 0 HG3 GLU B 831 7.112 18.506 7.648 1.00 47.65 H new ATOM 2609 N GLY B 832 6.554 17.391 11.758 1.00 24.93 N ATOM 2610 CA GLY B 832 5.696 16.302 12.145 1.00 22.56 C ATOM 2611 C GLY B 832 4.433 16.801 12.890 1.00 22.10 C ATOM 2612 O GLY B 832 3.377 16.250 12.719 1.00 22.39 O ATOM 0 H GLY B 832 7.312 17.425 12.164 1.00 24.93 H new ATOM 0 HA2 GLY B 832 5.430 15.804 11.356 1.00 22.56 H new ATOM 0 HA3 GLY B 832 6.187 15.690 12.715 1.00 22.56 H new ATOM 2613 N PHE B 833 4.584 17.828 13.738 1.00 22.97 N ATOM 2614 CA PHE B 833 3.449 18.446 14.465 1.00 21.58 C ATOM 2615 C PHE B 833 2.489 19.104 13.407 1.00 21.39 C ATOM 2616 O PHE B 833 1.295 18.894 13.393 1.00 23.30 O ATOM 2617 CB PHE B 833 3.984 19.459 15.445 1.00 23.14 C ATOM 2618 CG PHE B 833 2.937 20.401 16.001 1.00 21.62 C ATOM 2619 CD1 PHE B 833 2.087 19.971 16.953 1.00 22.07 C ATOM 2620 CD2 PHE B 833 2.830 21.699 15.538 1.00 25.73 C ATOM 2621 CE1 PHE B 833 1.067 20.831 17.491 1.00 26.88 C ATOM 2622 CE2 PHE B 833 1.850 22.579 16.073 1.00 27.99 C ATOM 2623 CZ PHE B 833 0.957 22.118 17.027 1.00 26.13 C ATOM 0 H PHE B 833 5.345 18.189 13.911 1.00 22.97 H new ATOM 0 HA PHE B 833 2.948 17.785 14.968 1.00 21.58 H new ATOM 0 HB2 PHE B 833 4.405 18.989 16.182 1.00 23.14 H new ATOM 0 HB3 PHE B 833 4.675 19.981 15.009 1.00 23.14 H new ATOM 0 HD1 PHE B 833 2.161 19.100 17.269 1.00 22.07 H new ATOM 0 HD2 PHE B 833 3.404 21.999 14.871 1.00 25.73 H new ATOM 0 HE1 PHE B 833 0.487 20.518 18.147 1.00 26.88 H new ATOM 0 HE2 PHE B 833 1.808 23.462 15.783 1.00 27.99 H new ATOM 0 HZ PHE B 833 0.288 22.677 17.351 1.00 26.13 H new ATOM 2624 N VAL B 834 3.019 19.883 12.522 1.00 22.04 N ATOM 2625 CA VAL B 834 2.156 20.587 11.545 1.00 25.10 C ATOM 2626 C VAL B 834 1.462 19.595 10.663 1.00 26.42 C ATOM 2627 O VAL B 834 0.296 19.781 10.267 1.00 24.43 O ATOM 2628 CB VAL B 834 2.976 21.547 10.731 1.00 25.89 C ATOM 2629 CG1 VAL B 834 2.241 22.120 9.512 1.00 29.52 C ATOM 2630 CG2 VAL B 834 3.459 22.683 11.623 1.00 26.62 C ATOM 0 H VAL B 834 3.862 20.037 12.445 1.00 22.04 H new ATOM 0 HA VAL B 834 1.481 21.093 12.023 1.00 25.10 H new ATOM 0 HB VAL B 834 3.724 21.039 10.379 1.00 25.89 H new ATOM 0 HG11 VAL B 834 2.828 22.728 9.036 1.00 29.52 H new ATOM 0 HG12 VAL B 834 1.980 21.396 8.922 1.00 29.52 H new ATOM 0 HG13 VAL B 834 1.450 22.598 9.806 1.00 29.52 H new ATOM 0 HG21 VAL B 834 3.989 23.304 11.099 1.00 26.62 H new ATOM 0 HG22 VAL B 834 2.695 23.148 11.998 1.00 26.62 H new ATOM 0 HG23 VAL B 834 4.002 22.322 12.341 1.00 26.62 H new ATOM 2631 N GLN B 835 2.155 18.524 10.289 1.00 25.88 N ATOM 2632 CA GLN B 835 1.511 17.545 9.470 1.00 25.74 C ATOM 2633 C GLN B 835 0.333 16.880 10.147 1.00 27.07 C ATOM 2634 O GLN B 835 -0.700 16.642 9.522 1.00 25.76 O ATOM 2635 CB GLN B 835 2.483 16.472 8.966 1.00 31.26 C ATOM 2636 CG GLN B 835 3.436 17.043 7.952 1.00 38.84 C ATOM 2637 CD GLN B 835 4.482 16.036 7.462 1.00 48.95 C ATOM 2638 OE1 GLN B 835 4.706 14.962 8.062 1.00 52.04 O ATOM 2639 NE2 GLN B 835 5.106 16.374 6.325 1.00 58.11 N ATOM 0 H GLN B 835 2.973 18.360 10.498 1.00 25.88 H new ATOM 0 HA GLN B 835 1.175 18.045 8.710 1.00 25.74 H new ATOM 0 HB2 GLN B 835 2.981 16.105 9.713 1.00 31.26 H new ATOM 0 HB3 GLN B 835 1.985 15.739 8.571 1.00 31.26 H new ATOM 0 HG2 GLN B 835 2.930 17.369 7.191 1.00 38.84 H new ATOM 0 HG3 GLN B 835 3.890 17.807 8.340 1.00 38.84 H new ATOM 0 HE21 GLN B 835 4.925 17.122 5.941 1.00 58.11 H new ATOM 0 HE22 GLN B 835 5.687 15.843 5.979 1.00 58.11 H new ATOM 2640 N ASP B 836 0.445 16.578 11.421 1.00 23.96 N ATOM 2641 CA ASP B 836 -0.661 15.922 12.099 1.00 23.52 C ATOM 2642 C ASP B 836 -1.809 16.972 12.254 1.00 20.89 C ATOM 2643 O ASP B 836 -2.950 16.605 12.140 1.00 23.52 O ATOM 2644 CB ASP B 836 -0.252 15.403 13.454 1.00 24.65 C ATOM 2645 CG ASP B 836 0.393 14.018 13.410 1.00 30.78 C ATOM 2646 OD1 ASP B 836 0.411 13.379 12.331 1.00 28.81 O ATOM 2647 OD2 ASP B 836 0.771 13.564 14.512 1.00 31.78 O ATOM 0 H ASP B 836 1.135 16.738 11.908 1.00 23.96 H new ATOM 0 HA ASP B 836 -0.953 15.158 11.577 1.00 23.52 H new ATOM 0 HB2 ASP B 836 0.370 16.028 13.857 1.00 24.65 H new ATOM 0 HB3 ASP B 836 -1.033 15.370 14.028 1.00 24.65 H new ATOM 2648 N MET B 837 -1.498 18.213 12.528 1.00 19.59 N ATOM 2649 CA MET B 837 -2.598 19.222 12.657 1.00 22.29 C ATOM 2650 C MET B 837 -3.377 19.396 11.322 1.00 23.68 C ATOM 2651 O MET B 837 -4.646 19.395 11.276 1.00 26.12 O ATOM 2652 CB MET B 837 -2.010 20.538 13.071 1.00 20.70 C ATOM 2653 CG MET B 837 -1.444 20.555 14.491 1.00 24.26 C ATOM 2654 SD MET B 837 -2.685 20.314 15.770 1.00 24.57 S ATOM 2655 CE MET B 837 -3.427 21.977 15.621 1.00 28.34 C ATOM 0 H MET B 837 -0.700 18.513 12.644 1.00 19.59 H new ATOM 0 HA MET B 837 -3.225 18.906 13.326 1.00 22.29 H new ATOM 0 HB2 MET B 837 -1.304 20.775 12.450 1.00 20.70 H new ATOM 0 HB3 MET B 837 -2.693 21.223 12.998 1.00 20.70 H new ATOM 0 HG2 MET B 837 -0.771 19.861 14.570 1.00 24.26 H new ATOM 0 HG3 MET B 837 -0.997 21.402 14.642 1.00 24.26 H new ATOM 0 HE1 MET B 837 -3.958 22.166 16.410 1.00 28.34 H new ATOM 0 HE2 MET B 837 -2.723 22.639 15.539 1.00 28.34 H new ATOM 0 HE3 MET B 837 -3.994 22.009 14.835 1.00 28.34 H new ATOM 2656 N ARG B 838 -2.634 19.431 10.217 1.00 23.07 N ATOM 2657 CA ARG B 838 -3.237 19.520 8.865 1.00 24.85 C ATOM 2658 C ARG B 838 -4.060 18.363 8.499 1.00 24.55 C ATOM 2659 O ARG B 838 -5.150 18.495 7.901 1.00 27.69 O ATOM 2660 CB ARG B 838 -2.175 19.867 7.792 1.00 28.61 C ATOM 2661 CG ARG B 838 -1.650 21.287 7.986 1.00 30.54 C ATOM 2662 CD ARG B 838 -0.531 21.675 7.020 1.00 32.85 C ATOM 2663 NE ARG B 838 -0.251 23.123 7.090 1.00 30.70 N ATOM 2664 CZ ARG B 838 0.835 23.732 6.586 1.00 35.50 C ATOM 2665 NH1 ARG B 838 1.824 23.044 5.987 1.00 37.19 N ATOM 2666 NH2 ARG B 838 0.984 25.023 6.759 1.00 33.80 N ATOM 0 H ARG B 838 -1.774 19.405 10.219 1.00 23.07 H new ATOM 0 HA ARG B 838 -3.864 20.259 8.901 1.00 24.85 H new ATOM 0 HB2 ARG B 838 -1.440 19.236 7.843 1.00 28.61 H new ATOM 0 HB3 ARG B 838 -2.563 19.779 6.907 1.00 28.61 H new ATOM 0 HG2 ARG B 838 -2.385 21.911 7.881 1.00 30.54 H new ATOM 0 HG3 ARG B 838 -1.326 21.380 8.896 1.00 30.54 H new ATOM 0 HD2 ARG B 838 0.273 21.176 7.234 1.00 32.85 H new ATOM 0 HD3 ARG B 838 -0.782 21.434 6.115 1.00 32.85 H new ATOM 0 HE ARG B 838 -0.832 23.618 7.487 1.00 30.70 H new ATOM 0 HH11 ARG B 838 1.772 22.188 5.918 1.00 37.19 H new ATOM 0 HH12 ARG B 838 2.508 23.460 5.673 1.00 37.19 H new ATOM 0 HH21 ARG B 838 0.390 25.470 7.191 1.00 33.80 H new ATOM 0 HH22 ARG B 838 1.676 25.423 6.440 1.00 33.80 H new ATOM 2667 N LEU B 839 -3.623 17.188 8.935 1.00 24.97 N ATOM 2668 CA LEU B 839 -4.342 15.974 8.675 1.00 26.46 C ATOM 2669 C LEU B 839 -5.721 15.982 9.338 1.00 28.84 C ATOM 2670 O LEU B 839 -6.679 15.433 8.782 1.00 23.28 O ATOM 2671 CB LEU B 839 -3.563 14.806 9.212 1.00 28.10 C ATOM 2672 CG LEU B 839 -4.130 13.421 9.156 1.00 33.76 C ATOM 2673 CD1 LEU B 839 -4.461 12.990 7.726 1.00 37.64 C ATOM 2674 CD2 LEU B 839 -3.071 12.480 9.757 1.00 37.03 C ATOM 0 H LEU B 839 -2.900 17.083 9.389 1.00 24.97 H new ATOM 0 HA LEU B 839 -4.459 15.901 7.715 1.00 26.46 H new ATOM 0 HB2 LEU B 839 -2.715 14.787 8.741 1.00 28.10 H new ATOM 0 HB3 LEU B 839 -3.366 14.997 10.142 1.00 28.10 H new ATOM 0 HG LEU B 839 -4.963 13.390 9.652 1.00 33.76 H new ATOM 0 HD11 LEU B 839 -4.824 12.091 7.735 1.00 37.64 H new ATOM 0 HD12 LEU B 839 -5.115 13.599 7.347 1.00 37.64 H new ATOM 0 HD13 LEU B 839 -3.654 13.007 7.188 1.00 37.64 H new ATOM 0 HD21 LEU B 839 -3.401 11.568 9.739 1.00 37.03 H new ATOM 0 HD22 LEU B 839 -2.254 12.538 9.237 1.00 37.03 H new ATOM 0 HD23 LEU B 839 -2.890 12.740 10.674 1.00 37.03 H new ATOM 2675 N ILE B 840 -5.829 16.600 10.522 1.00 23.50 N ATOM 2676 CA ILE B 840 -7.151 16.697 11.188 1.00 24.47 C ATOM 2677 C ILE B 840 -8.191 17.333 10.224 1.00 22.70 C ATOM 2678 O ILE B 840 -9.326 16.816 10.038 1.00 26.09 O ATOM 2679 CB ILE B 840 -7.024 17.503 12.485 1.00 21.70 C ATOM 2680 CG1 ILE B 840 -6.270 16.665 13.539 1.00 21.59 C ATOM 2681 CG2 ILE B 840 -8.360 17.919 13.007 1.00 24.24 C ATOM 2682 CD1 ILE B 840 -5.872 17.485 14.759 1.00 23.48 C ATOM 0 H ILE B 840 -5.176 16.961 10.949 1.00 23.50 H new ATOM 0 HA ILE B 840 -7.463 15.807 11.416 1.00 24.47 H new ATOM 0 HB ILE B 840 -6.524 18.312 12.295 1.00 21.70 H new ATOM 0 HG12 ILE B 840 -6.830 15.924 13.819 1.00 21.59 H new ATOM 0 HG13 ILE B 840 -5.475 16.283 13.136 1.00 21.59 H new ATOM 0 HG21 ILE B 840 -8.244 18.426 13.826 1.00 24.24 H new ATOM 0 HG22 ILE B 840 -8.808 18.471 12.347 1.00 24.24 H new ATOM 0 HG23 ILE B 840 -8.897 17.131 13.188 1.00 24.24 H new ATOM 0 HD11 ILE B 840 -5.403 16.918 15.391 1.00 23.48 H new ATOM 0 HD12 ILE B 840 -5.292 18.212 14.485 1.00 23.48 H new ATOM 0 HD13 ILE B 840 -6.668 17.847 15.179 1.00 23.48 H new ATOM 2683 N PHE B 841 -7.820 18.472 9.689 1.00 24.40 N ATOM 2684 CA PHE B 841 -8.763 19.263 8.818 1.00 27.88 C ATOM 2685 C PHE B 841 -8.930 18.630 7.456 1.00 30.41 C ATOM 2686 O PHE B 841 -10.046 18.598 6.922 1.00 27.21 O ATOM 2687 CB PHE B 841 -8.325 20.713 8.753 1.00 28.72 C ATOM 2688 CG PHE B 841 -8.037 21.269 10.111 1.00 31.82 C ATOM 2689 CD1 PHE B 841 -9.063 21.329 11.057 1.00 31.56 C ATOM 2690 CD2 PHE B 841 -6.751 21.685 10.467 1.00 31.72 C ATOM 2691 CE1 PHE B 841 -8.806 21.756 12.353 1.00 31.48 C ATOM 2692 CE2 PHE B 841 -6.490 22.141 11.749 1.00 32.14 C ATOM 2693 CZ PHE B 841 -7.518 22.166 12.692 1.00 35.55 C ATOM 0 H PHE B 841 -7.045 18.828 9.796 1.00 24.40 H new ATOM 0 HA PHE B 841 -9.645 19.249 9.220 1.00 27.88 H new ATOM 0 HB2 PHE B 841 -7.532 20.787 8.199 1.00 28.72 H new ATOM 0 HB3 PHE B 841 -9.018 21.241 8.328 1.00 28.72 H new ATOM 0 HD1 PHE B 841 -9.926 21.081 10.817 1.00 31.56 H new ATOM 0 HD2 PHE B 841 -6.066 21.656 9.839 1.00 31.72 H new ATOM 0 HE1 PHE B 841 -9.486 21.768 12.988 1.00 31.48 H new ATOM 0 HE2 PHE B 841 -5.636 22.428 11.979 1.00 32.14 H new ATOM 0 HZ PHE B 841 -7.342 22.460 13.557 1.00 35.55 H new ATOM 2694 N HIS B 842 -7.896 17.936 6.993 1.00 28.34 N ATOM 2695 CA HIS B 842 -8.034 17.121 5.777 1.00 28.42 C ATOM 2696 C HIS B 842 -9.020 16.040 5.835 1.00 26.67 C ATOM 2697 O HIS B 842 -9.906 15.883 4.917 1.00 28.66 O ATOM 2698 CB HIS B 842 -6.652 16.603 5.284 1.00 33.79 C ATOM 2699 CG HIS B 842 -6.773 15.637 4.135 1.00 36.70 C ATOM 2700 ND1 HIS B 842 -6.682 16.039 2.819 1.00 39.63 N ATOM 2701 CD2 HIS B 842 -7.018 14.299 4.104 1.00 45.76 C ATOM 2702 CE1 HIS B 842 -6.851 14.999 2.025 1.00 43.27 C ATOM 2703 NE2 HIS B 842 -7.064 13.930 2.777 1.00 45.70 N ATOM 0 H HIS B 842 -7.117 17.919 7.356 1.00 28.34 H new ATOM 0 HA HIS B 842 -8.401 17.736 5.123 1.00 28.42 H new ATOM 0 HB2 HIS B 842 -6.106 17.357 5.012 1.00 33.79 H new ATOM 0 HB3 HIS B 842 -6.191 16.170 6.020 1.00 33.79 H new ATOM 0 HD2 HIS B 842 -7.133 13.740 4.838 1.00 45.76 H new ATOM 0 HE1 HIS B 842 -6.825 15.014 1.095 1.00 43.27 H new ATOM 0 HE2 HIS B 842 -7.208 13.134 2.485 1.00 45.70 H new ATOM 2704 N ASN B 843 -8.937 15.234 6.875 1.00 25.59 N ATOM 2705 CA ASN B 843 -9.872 14.201 7.091 1.00 25.10 C ATOM 2706 C ASN B 843 -11.318 14.709 7.222 1.00 28.13 C ATOM 2707 O ASN B 843 -12.259 14.020 6.781 1.00 27.56 O ATOM 2708 CB ASN B 843 -9.513 13.383 8.336 1.00 26.28 C ATOM 2709 CG ASN B 843 -8.263 12.494 8.115 1.00 31.63 C ATOM 2710 OD1 ASN B 843 -7.795 12.347 6.973 1.00 29.56 O ATOM 2711 ND2 ASN B 843 -7.706 11.960 9.194 1.00 29.28 N ATOM 0 H ASN B 843 -8.322 15.286 7.474 1.00 25.59 H new ATOM 0 HA ASN B 843 -9.827 13.640 6.301 1.00 25.10 H new ATOM 0 HB2 ASN B 843 -9.352 13.984 9.080 1.00 26.28 H new ATOM 0 HB3 ASN B 843 -10.266 12.823 8.581 1.00 26.28 H new ATOM 0 HD21 ASN B 843 -6.990 11.489 9.120 1.00 29.28 H new ATOM 0 HD22 ASN B 843 -8.061 12.085 9.967 1.00 29.28 H new ATOM 2712 N HIS B 844 -11.487 15.817 7.962 1.00 27.60 N ATOM 2713 CA HIS B 844 -12.833 16.409 8.169 1.00 27.05 C ATOM 2714 C HIS B 844 -13.490 16.761 6.768 1.00 26.79 C ATOM 2715 O HIS B 844 -14.609 16.377 6.521 1.00 26.33 O ATOM 2716 CB HIS B 844 -12.695 17.669 8.986 1.00 27.03 C ATOM 2717 CG HIS B 844 -13.990 18.348 9.246 1.00 26.02 C ATOM 2718 ND1 HIS B 844 -14.835 17.960 10.258 1.00 28.51 N ATOM 2719 CD2 HIS B 844 -14.594 19.368 8.604 1.00 26.22 C ATOM 2720 CE1 HIS B 844 -15.922 18.705 10.228 1.00 30.06 C ATOM 2721 NE2 HIS B 844 -15.807 19.569 9.229 1.00 28.59 N ATOM 0 H HIS B 844 -10.847 16.240 8.350 1.00 27.60 H new ATOM 0 HA HIS B 844 -13.398 15.772 8.634 1.00 27.05 H new ATOM 0 HB2 HIS B 844 -12.275 17.453 9.833 1.00 27.03 H new ATOM 0 HB3 HIS B 844 -12.103 18.283 8.524 1.00 27.03 H new ATOM 0 HD2 HIS B 844 -14.258 19.844 7.879 1.00 26.22 H new ATOM 0 HE1 HIS B 844 -16.646 18.636 10.808 1.00 30.06 H new ATOM 0 HE2 HIS B 844 -16.393 20.158 9.007 1.00 28.59 H new ATOM 2722 N LYS B 845 -12.765 17.455 5.936 1.00 27.28 N ATOM 2723 CA LYS B 845 -13.207 17.811 4.553 1.00 33.63 C ATOM 2724 C LYS B 845 -13.510 16.549 3.746 1.00 34.61 C ATOM 2725 O LYS B 845 -14.531 16.478 3.104 1.00 35.08 O ATOM 2726 CB LYS B 845 -12.158 18.666 3.877 1.00 41.19 C ATOM 2727 CG LYS B 845 -12.509 19.073 2.435 1.00 60.39 C ATOM 2728 CD LYS B 845 -11.460 19.922 1.671 1.00 68.76 C ATOM 2729 CE LYS B 845 -9.993 19.469 1.834 1.00 76.22 C ATOM 2730 NZ LYS B 845 -9.648 18.035 1.543 1.00 78.37 N ATOM 0 H LYS B 845 -11.983 17.753 6.133 1.00 27.28 H new ATOM 0 HA LYS B 845 -14.026 18.328 4.605 1.00 33.63 H new ATOM 0 HB2 LYS B 845 -12.020 19.468 4.404 1.00 41.19 H new ATOM 0 HB3 LYS B 845 -11.317 18.183 3.870 1.00 41.19 H new ATOM 0 HG2 LYS B 845 -12.673 18.265 1.925 1.00 60.39 H new ATOM 0 HG3 LYS B 845 -13.342 19.569 2.456 1.00 60.39 H new ATOM 0 HD2 LYS B 845 -11.683 19.910 0.727 1.00 68.76 H new ATOM 0 HD3 LYS B 845 -11.533 20.842 1.968 1.00 68.76 H new ATOM 0 HE2 LYS B 845 -9.447 20.026 1.258 1.00 76.22 H new ATOM 0 HE3 LYS B 845 -9.726 19.657 2.747 1.00 76.22 H new ATOM 0 HZ1 LYS B 845 -8.786 17.896 1.716 1.00 78.37 H new ATOM 0 HZ2 LYS B 845 -10.143 17.501 2.054 1.00 78.37 H new ATOM 0 HZ3 LYS B 845 -9.810 17.858 0.686 1.00 78.37 H new ATOM 2731 N GLU B 846 -12.692 15.495 3.836 1.00 35.08 N ATOM 2732 CA GLU B 846 -12.938 14.287 3.065 1.00 36.40 C ATOM 2733 C GLU B 846 -14.080 13.497 3.521 1.00 37.35 C ATOM 2734 O GLU B 846 -14.636 12.732 2.722 1.00 34.03 O ATOM 2735 CB GLU B 846 -11.692 13.343 2.978 1.00 39.32 C ATOM 2736 CG GLU B 846 -10.521 13.934 2.238 1.00 45.88 C ATOM 2737 CD GLU B 846 -10.813 14.172 0.767 1.00 53.98 C ATOM 2738 OE1 GLU B 846 -11.346 13.252 0.101 1.00 52.03 O ATOM 2739 OE2 GLU B 846 -10.554 15.303 0.299 1.00 57.48 O ATOM 0 H GLU B 846 -11.994 15.465 4.337 1.00 35.08 H new ATOM 0 HA GLU B 846 -13.144 14.637 2.184 1.00 36.40 H new ATOM 0 HB2 GLU B 846 -11.410 13.112 3.877 1.00 39.32 H new ATOM 0 HB3 GLU B 846 -11.954 12.517 2.542 1.00 39.32 H new ATOM 0 HG2 GLU B 846 -10.272 14.774 2.654 1.00 45.88 H new ATOM 0 HG3 GLU B 846 -9.759 13.340 2.320 1.00 45.88 H new ATOM 2740 N PHE B 847 -14.485 13.622 4.784 1.00 28.85 N ATOM 2741 CA PHE B 847 -15.600 12.873 5.231 1.00 29.90 C ATOM 2742 C PHE B 847 -16.946 13.608 4.966 1.00 30.04 C ATOM 2743 O PHE B 847 -17.911 12.958 4.663 1.00 28.37 O ATOM 2744 CB PHE B 847 -15.486 12.552 6.731 1.00 26.15 C ATOM 2745 CG PHE B 847 -16.581 11.723 7.257 1.00 25.88 C ATOM 2746 CD1 PHE B 847 -16.571 10.360 7.107 1.00 26.24 C ATOM 2747 CD2 PHE B 847 -17.600 12.302 7.989 1.00 28.37 C ATOM 2748 CE1 PHE B 847 -17.572 9.588 7.593 1.00 28.67 C ATOM 2749 CE2 PHE B 847 -18.598 11.535 8.518 1.00 29.66 C ATOM 2750 CZ PHE B 847 -18.579 10.171 8.338 1.00 32.92 C ATOM 0 H PHE B 847 -14.121 14.132 5.373 1.00 28.85 H new ATOM 0 HA PHE B 847 -15.597 12.048 4.722 1.00 29.90 H new ATOM 0 HB2 PHE B 847 -14.644 12.097 6.891 1.00 26.15 H new ATOM 0 HB3 PHE B 847 -15.457 13.385 7.228 1.00 26.15 H new ATOM 0 HD1 PHE B 847 -15.861 9.957 6.662 1.00 26.24 H new ATOM 0 HD2 PHE B 847 -17.606 13.222 8.123 1.00 28.37 H new ATOM 0 HE1 PHE B 847 -17.581 8.673 7.427 1.00 28.67 H new ATOM 0 HE2 PHE B 847 -19.288 11.933 8.998 1.00 29.66 H new ATOM 0 HZ PHE B 847 -19.243 9.642 8.717 1.00 32.92 H new ATOM 2751 N TYR B 848 -16.980 14.891 5.293 1.00 27.77 N ATOM 2752 CA TYR B 848 -18.212 15.683 5.241 1.00 30.97 C ATOM 2753 C TYR B 848 -18.481 16.187 3.805 1.00 33.84 C ATOM 2754 O TYR B 848 -19.654 16.398 3.473 1.00 32.40 O ATOM 2755 CB TYR B 848 -18.195 16.828 6.276 1.00 25.98 C ATOM 2756 CG TYR B 848 -18.429 16.254 7.641 1.00 26.10 C ATOM 2757 CD1 TYR B 848 -19.634 15.700 7.984 1.00 26.05 C ATOM 2758 CD2 TYR B 848 -17.410 16.162 8.567 1.00 30.56 C ATOM 2759 CE1 TYR B 848 -19.857 15.075 9.196 1.00 29.21 C ATOM 2760 CE2 TYR B 848 -17.625 15.558 9.818 1.00 26.59 C ATOM 2761 CZ TYR B 848 -18.819 15.028 10.127 1.00 28.63 C ATOM 2762 OH TYR B 848 -19.044 14.457 11.318 1.00 26.29 O ATOM 0 H TYR B 848 -16.290 15.334 5.553 1.00 27.77 H new ATOM 0 HA TYR B 848 -18.953 15.106 5.485 1.00 30.97 H new ATOM 0 HB2 TYR B 848 -17.344 17.292 6.249 1.00 25.98 H new ATOM 0 HB3 TYR B 848 -18.881 17.481 6.065 1.00 25.98 H new ATOM 0 HD1 TYR B 848 -20.334 15.747 7.373 1.00 26.05 H new ATOM 0 HD2 TYR B 848 -16.570 16.504 8.361 1.00 30.56 H new ATOM 0 HE1 TYR B 848 -20.683 14.693 9.387 1.00 29.21 H new ATOM 0 HE2 TYR B 848 -16.933 15.525 10.438 1.00 26.59 H new ATOM 0 HH TYR B 848 -19.623 13.854 11.235 1.00 26.29 H new ATOM 2763 N ARG B 849 -17.431 16.332 3.002 1.00 36.63 N ATOM 2764 CA ARG B 849 -17.508 16.568 1.533 1.00 40.76 C ATOM 2765 C ARG B 849 -18.438 17.737 1.244 1.00 44.49 C ATOM 2766 O ARG B 849 -18.075 18.884 1.570 1.00 44.65 O ATOM 2767 CB ARG B 849 -17.845 15.287 0.750 1.00 39.25 C ATOM 2768 CG ARG B 849 -16.948 14.100 1.148 1.00 43.37 C ATOM 2769 CD ARG B 849 -16.959 12.897 0.196 1.00 41.99 C ATOM 2770 NE ARG B 849 -16.208 13.212 -1.006 1.00 43.05 N ATOM 2771 CZ ARG B 849 -14.869 13.217 -1.132 1.00 50.32 C ATOM 2772 NH1 ARG B 849 -14.043 12.865 -0.130 1.00 46.19 N ATOM 2773 NH2 ARG B 849 -14.323 13.581 -2.293 1.00 46.42 N ATOM 0 H ARG B 849 -16.622 16.297 3.293 1.00 36.63 H new ATOM 0 HA ARG B 849 -16.629 16.819 1.209 1.00 40.76 H new ATOM 0 HB2 ARG B 849 -18.774 15.053 0.903 1.00 39.25 H new ATOM 0 HB3 ARG B 849 -17.749 15.457 -0.200 1.00 39.25 H new ATOM 0 HG2 ARG B 849 -16.035 14.420 1.226 1.00 43.37 H new ATOM 0 HG3 ARG B 849 -17.218 13.795 2.028 1.00 43.37 H new ATOM 0 HD2 ARG B 849 -16.572 12.123 0.635 1.00 41.99 H new ATOM 0 HD3 ARG B 849 -17.872 12.665 -0.035 1.00 41.99 H new ATOM 0 HE ARG B 849 -16.664 13.415 -1.706 1.00 43.05 H new ATOM 0 HH11 ARG B 849 -14.367 12.624 0.629 1.00 46.19 H new ATOM 0 HH12 ARG B 849 -13.191 12.881 -0.249 1.00 46.19 H new ATOM 0 HH21 ARG B 849 -14.826 13.810 -2.952 1.00 46.42 H new ATOM 0 HH22 ARG B 849 -13.468 13.587 -2.383 1.00 46.42 H new ATOM 2774 N GLU B 850 -19.627 17.476 0.703 1.00 43.72 N ATOM 2775 CA AGLU B 850 -20.538 18.567 0.285 0.44 45.25 C ATOM 2776 CA BGLU B 850 -20.557 18.552 0.284 0.56 49.03 C ATOM 2777 C GLU B 850 -21.361 19.198 1.427 1.00 45.87 C ATOM 2778 O GLU B 850 -21.838 20.357 1.291 1.00 42.50 O ATOM 2779 CB AGLU B 850 -21.468 18.097 -0.857 0.44 46.83 C ATOM 2780 CB BGLU B 850 -21.514 18.056 -0.837 0.56 55.52 C ATOM 2781 CG AGLU B 850 -21.054 18.577 -2.240 0.44 45.10 C ATOM 2782 CG BGLU B 850 -22.633 17.084 -0.432 0.56 58.72 C ATOM 2783 CD AGLU B 850 -19.585 18.410 -2.535 0.44 47.54 C ATOM 2784 CD BGLU B 850 -22.198 15.629 -0.419 0.56 64.74 C ATOM 2785 OE1AGLU B 850 -18.908 19.438 -2.735 0.44 48.40 O ATOM 2786 OE1BGLU B 850 -22.594 14.879 -1.340 0.56 70.64 O ATOM 2787 OE2AGLU B 850 -19.098 17.257 -2.579 0.44 53.42 O ATOM 2788 OE2BGLU B 850 -21.452 15.242 0.506 0.56 61.13 O ATOM 0 H AGLU B 850 -19.932 16.683 0.566 0.44 43.72 H new ATOM 0 H BGLU B 850 -19.924 16.681 0.565 0.56 43.72 H new ATOM 0 HA AGLU B 850 -19.955 19.274 -0.033 0.44 49.03 H new ATOM 0 HA BGLU B 850 -19.983 19.255 -0.058 0.56 49.03 H new ATOM 0 HB2AGLU B 850 -21.497 17.127 -0.858 0.44 55.52 H new ATOM 0 HB2BGLU B 850 -21.926 18.834 -1.246 0.56 55.52 H new ATOM 0 HB3AGLU B 850 -22.369 18.407 -0.675 0.44 55.52 H new ATOM 0 HB3BGLU B 850 -20.977 17.627 -1.521 0.56 55.52 H new ATOM 0 HG2AGLU B 850 -21.565 18.092 -2.907 0.44 58.72 H new ATOM 0 HG2BGLU B 850 -22.957 17.325 0.450 0.56 58.72 H new ATOM 0 HG3AGLU B 850 -21.288 19.514 -2.330 0.44 58.72 H new ATOM 0 HG3BGLU B 850 -23.378 17.186 -1.045 0.56 58.72 H new ATOM 2789 N ASP B 851 -21.549 18.454 2.532 1.00 41.85 N ATOM 2790 CA ASP B 851 -22.236 18.982 3.697 1.00 39.22 C ATOM 2791 C ASP B 851 -21.650 20.310 4.154 1.00 37.46 C ATOM 2792 O ASP B 851 -20.426 20.575 4.123 1.00 36.21 O ATOM 2793 CB ASP B 851 -22.252 17.979 4.840 1.00 43.86 C ATOM 2794 CG ASP B 851 -23.308 18.295 5.931 1.00 41.78 C ATOM 2795 OD1 ASP B 851 -23.210 19.308 6.698 1.00 38.47 O ATOM 2796 OD2 ASP B 851 -24.197 17.445 6.075 1.00 45.13 O ATOM 0 H ASP B 851 -21.281 17.641 2.615 1.00 41.85 H new ATOM 0 HA ASP B 851 -23.153 19.145 3.427 1.00 39.22 H new ATOM 0 HB2 ASP B 851 -22.424 17.094 4.481 1.00 43.86 H new ATOM 0 HB3 ASP B 851 -21.373 17.953 5.250 1.00 43.86 H new ATOM 2797 N LYS B 852 -22.535 21.214 4.545 1.00 33.42 N ATOM 2798 CA LYS B 852 -22.067 22.504 5.021 1.00 33.41 C ATOM 2799 C LYS B 852 -21.166 22.431 6.268 1.00 29.13 C ATOM 2800 O LYS B 852 -20.468 23.392 6.569 1.00 32.05 O ATOM 2801 CB LYS B 852 -23.220 23.436 5.292 1.00 36.52 C ATOM 2802 CG LYS B 852 -24.235 22.836 6.260 1.00 41.13 C ATOM 2803 CD LYS B 852 -25.392 23.803 6.500 1.00 52.70 C ATOM 2804 CE LYS B 852 -26.356 23.237 7.548 1.00 56.75 C ATOM 2805 NZ LYS B 852 -27.665 23.928 7.593 1.00 55.25 N ATOM 0 H LYS B 852 -23.388 21.106 4.544 1.00 33.42 H new ATOM 0 HA LYS B 852 -21.519 22.850 4.299 1.00 33.41 H new ATOM 0 HB2 LYS B 852 -22.881 24.268 5.657 1.00 36.52 H new ATOM 0 HB3 LYS B 852 -23.662 23.652 4.456 1.00 36.52 H new ATOM 0 HG2 LYS B 852 -24.575 22.001 5.902 1.00 41.13 H new ATOM 0 HG3 LYS B 852 -23.801 22.628 7.102 1.00 41.13 H new ATOM 0 HD2 LYS B 852 -25.048 24.660 6.798 1.00 52.70 H new ATOM 0 HD3 LYS B 852 -25.866 23.961 5.669 1.00 52.70 H new ATOM 0 HE2 LYS B 852 -26.503 22.296 7.365 1.00 56.75 H new ATOM 0 HE3 LYS B 852 -25.940 23.294 8.422 1.00 56.75 H new ATOM 0 HZ1 LYS B 852 -28.177 23.555 8.218 1.00 55.25 H new ATOM 0 HZ2 LYS B 852 -27.541 24.788 7.787 1.00 55.25 H new ATOM 0 HZ3 LYS B 852 -28.066 23.857 6.801 1.00 55.25 H new ATOM 2806 N PHE B 853 -21.273 21.333 6.987 1.00 30.55 N ATOM 2807 CA PHE B 853 -20.435 21.078 8.204 1.00 31.14 C ATOM 2808 C PHE B 853 -18.938 21.094 7.866 1.00 30.64 C ATOM 2809 O PHE B 853 -18.098 21.415 8.716 1.00 25.52 O ATOM 2810 CB PHE B 853 -20.914 19.800 8.888 1.00 30.53 C ATOM 2811 CG PHE B 853 -20.341 19.591 10.281 1.00 29.87 C ATOM 2812 CD1 PHE B 853 -20.594 20.511 11.307 1.00 31.92 C ATOM 2813 CD2 PHE B 853 -19.533 18.514 10.553 1.00 29.51 C ATOM 2814 CE1 PHE B 853 -20.082 20.297 12.583 1.00 34.08 C ATOM 2815 CE2 PHE B 853 -19.025 18.276 11.841 1.00 29.19 C ATOM 2816 CZ PHE B 853 -19.279 19.195 12.852 1.00 33.99 C ATOM 0 H PHE B 853 -21.825 20.699 6.805 1.00 30.55 H new ATOM 0 HA PHE B 853 -20.548 21.798 8.844 1.00 31.14 H new ATOM 0 HB2 PHE B 853 -21.882 19.819 8.946 1.00 30.53 H new ATOM 0 HB3 PHE B 853 -20.678 19.040 8.334 1.00 30.53 H new ATOM 0 HD1 PHE B 853 -21.106 21.268 11.134 1.00 31.92 H new ATOM 0 HD2 PHE B 853 -19.316 17.926 9.866 1.00 29.51 H new ATOM 0 HE1 PHE B 853 -20.280 20.899 13.264 1.00 34.08 H new ATOM 0 HE2 PHE B 853 -18.524 17.512 12.015 1.00 29.19 H new ATOM 0 HZ PHE B 853 -18.916 19.074 13.699 1.00 33.99 H new ATOM 2817 N THR B 854 -18.606 20.893 6.586 1.00 30.87 N ATOM 2818 CA ATHR B 854 -17.218 21.045 6.074 0.45 33.45 C ATOM 2819 CA BTHR B 854 -17.218 21.022 6.152 0.55 33.40 C ATOM 2820 C THR B 854 -16.631 22.375 6.478 1.00 30.11 C ATOM 2821 O THR B 854 -15.433 22.502 6.719 1.00 27.44 O ATOM 2822 CB ATHR B 854 -17.103 20.919 4.511 0.45 35.43 C ATOM 2823 CB BTHR B 854 -17.064 20.711 4.644 0.55 33.45 C ATOM 2824 OG1ATHR B 854 -15.801 20.462 4.132 0.45 35.22 O ATOM 2825 OG1BTHR B 854 -18.017 21.480 3.893 0.55 47.36 O ATOM 2826 CG2ATHR B 854 -17.319 22.286 3.795 0.45 36.90 C ATOM 2827 CG2BTHR B 854 -17.305 19.312 4.415 0.55 27.80 C ATOM 0 H ATHR B 854 -19.174 20.664 5.982 0.45 30.87 H new ATOM 0 H BTHR B 854 -19.163 20.684 5.965 0.55 30.87 H new ATOM 0 HA ATHR B 854 -16.724 20.312 6.474 0.45 33.40 H new ATOM 0 HA BTHR B 854 -16.715 20.362 6.654 0.55 33.40 H new ATOM 0 HB ATHR B 854 -17.792 20.290 4.245 0.45 33.45 H new ATOM 0 HB BTHR B 854 -16.165 20.940 4.361 0.55 33.45 H new ATOM 0 HG1ATHR B 854 -15.758 20.399 3.295 0.45 47.36 H new ATOM 0 HG1BTHR B 854 -18.788 21.169 4.016 0.55 47.36 H new ATOM 0 HG21ATHR B 854 -17.240 22.165 2.836 0.45 27.80 H new ATOM 0 HG21BTHR B 854 -17.208 19.117 3.470 0.55 27.80 H new ATOM 0 HG22ATHR B 854 -18.203 22.626 4.006 0.45 27.80 H new ATOM 0 HG22BTHR B 854 -16.665 18.786 4.920 0.55 27.80 H new ATOM 0 HG23ATHR B 854 -16.649 22.919 4.097 0.45 27.80 H new ATOM 0 HG23BTHR B 854 -18.204 19.087 4.701 0.55 27.80 H new ATOM 2828 N ARG B 855 -17.475 23.401 6.541 1.00 27.14 N ATOM 2829 CA ARG B 855 -16.982 24.726 6.815 1.00 28.48 C ATOM 2830 C ARG B 855 -16.320 24.853 8.213 1.00 28.17 C ATOM 2831 O ARG B 855 -15.452 25.706 8.361 1.00 27.38 O ATOM 2832 CB ARG B 855 -18.104 25.727 6.602 1.00 35.84 C ATOM 2833 CG ARG B 855 -17.831 27.170 6.904 1.00 46.01 C ATOM 2834 CD ARG B 855 -19.043 28.034 6.467 1.00 51.16 C ATOM 2835 NE ARG B 855 -18.873 29.455 6.841 1.00 60.13 N ATOM 2836 CZ ARG B 855 -19.365 30.064 7.940 1.00 61.75 C ATOM 2837 NH1 ARG B 855 -20.127 29.428 8.858 1.00 57.09 N ATOM 2838 NH2 ARG B 855 -19.125 31.362 8.105 1.00 58.16 N ATOM 0 H ARG B 855 -18.326 23.344 6.428 1.00 27.14 H new ATOM 0 HA ARG B 855 -16.266 24.922 6.191 1.00 28.48 H new ATOM 0 HB2 ARG B 855 -18.384 25.666 5.675 1.00 35.84 H new ATOM 0 HB3 ARG B 855 -18.858 25.448 7.145 1.00 35.84 H new ATOM 0 HG2 ARG B 855 -17.666 27.285 7.853 1.00 46.01 H new ATOM 0 HG3 ARG B 855 -17.031 27.461 6.439 1.00 46.01 H new ATOM 0 HD2 ARG B 855 -19.159 27.965 5.506 1.00 51.16 H new ATOM 0 HD3 ARG B 855 -19.851 27.687 6.876 1.00 51.16 H new ATOM 0 HE ARG B 855 -18.413 29.943 6.303 1.00 60.13 H new ATOM 0 HH11 ARG B 855 -20.319 28.596 8.756 1.00 57.09 H new ATOM 0 HH12 ARG B 855 -20.420 29.855 9.544 1.00 57.09 H new ATOM 0 HH21 ARG B 855 -18.666 31.792 7.519 1.00 58.16 H new ATOM 0 HH22 ARG B 855 -19.429 31.771 8.798 1.00 58.16 H new ATOM 2839 N LEU B 856 -16.725 24.022 9.189 1.00 25.90 N ATOM 2840 CA LEU B 856 -16.086 24.071 10.549 1.00 29.36 C ATOM 2841 C LEU B 856 -14.574 23.766 10.443 1.00 26.46 C ATOM 2842 O LEU B 856 -13.761 24.432 11.071 1.00 28.65 O ATOM 2843 CB LEU B 856 -16.731 23.114 11.546 1.00 31.11 C ATOM 2844 CG LEU B 856 -17.959 23.562 12.368 1.00 38.06 C ATOM 2845 CD1 LEU B 856 -17.622 24.836 13.138 1.00 39.82 C ATOM 2846 CD2 LEU B 856 -19.128 23.819 11.441 1.00 38.62 C ATOM 0 H LEU B 856 -17.348 23.435 9.102 1.00 25.90 H new ATOM 0 HA LEU B 856 -16.222 24.971 10.884 1.00 29.36 H new ATOM 0 HB2 LEU B 856 -16.988 22.318 11.056 1.00 31.11 H new ATOM 0 HB3 LEU B 856 -16.043 22.849 12.177 1.00 31.11 H new ATOM 0 HG LEU B 856 -18.198 22.862 12.995 1.00 38.06 H new ATOM 0 HD11 LEU B 856 -18.394 25.116 13.654 1.00 39.82 H new ATOM 0 HD12 LEU B 856 -16.878 24.665 13.737 1.00 39.82 H new ATOM 0 HD13 LEU B 856 -17.379 25.537 12.513 1.00 39.82 H new ATOM 0 HD21 LEU B 856 -19.897 24.100 11.960 1.00 38.62 H new ATOM 0 HD22 LEU B 856 -18.893 24.516 10.809 1.00 38.62 H new ATOM 0 HD23 LEU B 856 -19.344 23.005 10.959 1.00 38.62 H new ATOM 2847 N GLY B 857 -14.246 22.820 9.582 1.00 30.19 N ATOM 2848 CA GLY B 857 -12.827 22.430 9.298 1.00 28.97 C ATOM 2849 C GLY B 857 -12.042 23.567 8.722 1.00 31.80 C ATOM 2850 O GLY B 857 -10.978 23.880 9.192 1.00 31.16 O ATOM 0 H GLY B 857 -14.825 22.371 9.132 1.00 30.19 H new ATOM 0 HA2 GLY B 857 -12.405 22.128 10.117 1.00 28.97 H new ATOM 0 HA3 GLY B 857 -12.815 21.683 8.680 1.00 28.97 H new ATOM 2851 N ILE B 858 -12.626 24.267 7.735 1.00 30.35 N ATOM 2852 CA ILE B 858 -11.999 25.392 7.131 1.00 29.45 C ATOM 2853 C ILE B 858 -11.758 26.477 8.159 1.00 30.07 C ATOM 2854 O ILE B 858 -10.719 27.120 8.181 1.00 28.45 O ATOM 2855 CB ILE B 858 -12.887 25.914 5.915 1.00 36.01 C ATOM 2856 CG1 ILE B 858 -12.879 24.892 4.776 1.00 41.03 C ATOM 2857 CG2 ILE B 858 -12.371 27.235 5.387 1.00 37.66 C ATOM 2858 CD1 ILE B 858 -14.066 25.015 3.820 1.00 49.27 C ATOM 0 H ILE B 858 -13.402 24.081 7.413 1.00 30.35 H new ATOM 0 HA ILE B 858 -11.134 25.131 6.780 1.00 29.45 H new ATOM 0 HB ILE B 858 -13.791 26.037 6.245 1.00 36.01 H new ATOM 0 HG12 ILE B 858 -12.057 24.992 4.271 1.00 41.03 H new ATOM 0 HG13 ILE B 858 -12.872 23.999 5.155 1.00 41.03 H new ATOM 0 HG21 ILE B 858 -12.928 27.529 4.649 1.00 37.66 H new ATOM 0 HG22 ILE B 858 -12.395 27.898 6.094 1.00 37.66 H new ATOM 0 HG23 ILE B 858 -11.458 27.126 5.078 1.00 37.66 H new ATOM 0 HD11 ILE B 858 -13.995 24.340 3.127 1.00 49.27 H new ATOM 0 HD12 ILE B 858 -14.892 24.888 4.312 1.00 49.27 H new ATOM 0 HD13 ILE B 858 -14.064 25.896 3.413 1.00 49.27 H new ATOM 2859 N GLN B 859 -12.775 26.753 8.981 1.00 30.12 N ATOM 2860 CA GLN B 859 -12.657 27.796 10.000 1.00 27.31 C ATOM 2861 C GLN B 859 -11.558 27.550 11.102 1.00 26.54 C ATOM 2862 O GLN B 859 -10.812 28.417 11.456 1.00 25.22 O ATOM 2863 CB GLN B 859 -14.028 27.927 10.687 1.00 30.15 C ATOM 2864 CG GLN B 859 -15.076 28.614 9.768 1.00 37.13 C ATOM 2865 CD GLN B 859 -16.436 28.741 10.415 1.00 40.40 C ATOM 2866 OE1 GLN B 859 -16.958 27.797 10.987 1.00 42.21 O ATOM 2867 NE2 GLN B 859 -16.999 29.937 10.356 1.00 42.34 N ATOM 0 H GLN B 859 -13.535 26.351 8.964 1.00 30.12 H new ATOM 0 HA GLN B 859 -12.376 28.601 9.539 1.00 27.31 H new ATOM 0 HB2 GLN B 859 -14.348 27.047 10.939 1.00 30.15 H new ATOM 0 HB3 GLN B 859 -13.931 28.439 11.505 1.00 30.15 H new ATOM 0 HG2 GLN B 859 -14.756 29.497 9.524 1.00 37.13 H new ATOM 0 HG3 GLN B 859 -15.161 28.106 8.946 1.00 37.13 H new ATOM 0 HE21 GLN B 859 -16.602 30.579 9.944 1.00 42.34 H new ATOM 0 HE22 GLN B 859 -17.762 30.072 10.730 1.00 42.34 H new ATOM 2868 N VAL B 860 -11.533 26.354 11.650 1.00 27.19 N ATOM 2869 CA VAL B 860 -10.518 26.020 12.650 1.00 27.00 C ATOM 2870 C VAL B 860 -9.140 25.934 11.962 1.00 24.68 C ATOM 2871 O VAL B 860 -8.168 26.373 12.555 1.00 24.74 O ATOM 2872 CB VAL B 860 -10.917 24.746 13.408 1.00 26.93 C ATOM 2873 CG1 VAL B 860 -9.880 24.348 14.465 1.00 24.47 C ATOM 2874 CG2 VAL B 860 -12.247 24.986 14.127 1.00 25.87 C ATOM 0 H VAL B 860 -12.085 25.720 11.466 1.00 27.19 H new ATOM 0 HA VAL B 860 -10.454 26.716 13.323 1.00 27.00 H new ATOM 0 HB VAL B 860 -10.983 24.032 12.755 1.00 26.93 H new ATOM 0 HG11 VAL B 860 -10.172 23.541 14.917 1.00 24.47 H new ATOM 0 HG12 VAL B 860 -9.026 24.186 14.035 1.00 24.47 H new ATOM 0 HG13 VAL B 860 -9.786 25.065 15.112 1.00 24.47 H new ATOM 0 HG21 VAL B 860 -12.504 24.184 14.608 1.00 25.87 H new ATOM 0 HG22 VAL B 860 -12.149 25.720 14.753 1.00 25.87 H new ATOM 0 HG23 VAL B 860 -12.932 25.206 13.476 1.00 25.87 H new ATOM 2875 N GLN B 861 -9.063 25.392 10.736 1.00 26.50 N ATOM 2876 CA GLN B 861 -7.745 25.410 10.013 1.00 28.21 C ATOM 2877 C GLN B 861 -7.220 26.828 9.839 1.00 27.57 C ATOM 2878 O GLN B 861 -6.025 27.149 10.051 1.00 26.62 O ATOM 2879 CB GLN B 861 -7.780 24.646 8.705 1.00 34.08 C ATOM 2880 CG GLN B 861 -6.353 24.596 8.134 1.00 37.40 C ATOM 2881 CD GLN B 861 -6.083 23.534 7.063 1.00 45.92 C ATOM 2882 OE1 GLN B 861 -6.995 22.913 6.522 1.00 45.91 O ATOM 2883 NE2 GLN B 861 -4.781 23.356 6.729 1.00 50.89 N ATOM 0 H GLN B 861 -9.715 25.025 10.313 1.00 26.50 H new ATOM 0 HA GLN B 861 -7.114 24.937 10.578 1.00 28.21 H new ATOM 0 HB2 GLN B 861 -8.118 23.748 8.848 1.00 34.08 H new ATOM 0 HB3 GLN B 861 -8.380 25.079 8.077 1.00 34.08 H new ATOM 0 HG2 GLN B 861 -6.146 25.466 7.758 1.00 37.40 H new ATOM 0 HG3 GLN B 861 -5.737 24.450 8.869 1.00 37.40 H new ATOM 0 HE21 GLN B 861 -4.169 23.808 7.129 1.00 50.89 H new ATOM 0 HE22 GLN B 861 -4.567 22.791 6.117 1.00 50.89 H new ATOM 2884 N ASP B 862 -8.114 27.772 9.555 1.00 30.96 N ATOM 2885 CA AASP B 862 -7.654 29.137 9.431 0.50 30.29 C ATOM 2886 CA BASP B 862 -7.709 29.183 9.463 0.50 31.03 C ATOM 2887 C ASP B 862 -7.151 29.744 10.741 1.00 29.53 C ATOM 2888 O ASP B 862 -6.202 30.548 10.735 1.00 29.50 O ATOM 2889 CB AASP B 862 -8.664 29.965 8.662 0.50 35.14 C ATOM 2890 CB BASP B 862 -8.850 30.080 9.045 0.50 37.37 C ATOM 2891 CG AASP B 862 -8.436 29.855 7.147 0.50 36.01 C ATOM 2892 CG BASP B 862 -8.371 31.498 8.716 0.50 40.84 C ATOM 2893 OD1AASP B 862 -8.858 28.858 6.520 0.50 35.72 O ATOM 2894 OD1BASP B 862 -7.287 31.645 8.100 0.50 45.43 O ATOM 2895 OD2AASP B 862 -7.733 30.732 6.599 0.50 44.94 O ATOM 2896 OD2BASP B 862 -9.056 32.471 9.090 0.50 50.71 O ATOM 0 H AASP B 862 -8.956 27.646 9.436 0.50 30.96 H new ATOM 0 H BASP B 862 -8.949 27.625 9.413 0.50 30.96 H new ATOM 0 HA AASP B 862 -6.846 29.138 8.895 0.50 31.03 H new ATOM 0 HA BASP B 862 -7.011 29.175 8.790 0.50 31.03 H new ATOM 0 HB2AASP B 862 -9.562 29.668 8.879 0.50 37.37 H new ATOM 0 HB2BASP B 862 -9.292 29.700 8.270 0.50 37.37 H new ATOM 0 HB3AASP B 862 -8.599 30.894 8.935 0.50 37.37 H new ATOM 0 HB3BASP B 862 -9.508 30.118 9.756 0.50 37.37 H new ATOM 2897 N ILE B 863 -7.700 29.316 11.874 1.00 26.40 N ATOM 2898 CA ILE B 863 -7.157 29.775 13.180 1.00 29.70 C ATOM 2899 C ILE B 863 -5.740 29.158 13.345 1.00 25.39 C ATOM 2900 O ILE B 863 -4.786 29.810 13.773 1.00 25.75 O ATOM 2901 CB ILE B 863 -8.098 29.258 14.297 1.00 31.83 C ATOM 2902 CG1 ILE B 863 -9.493 29.932 14.175 1.00 39.52 C ATOM 2903 CG2 ILE B 863 -7.482 29.352 15.672 1.00 30.69 C ATOM 2904 CD1 ILE B 863 -9.395 31.396 14.432 1.00 43.08 C ATOM 0 H ILE B 863 -8.368 28.776 11.924 1.00 26.40 H new ATOM 0 HA ILE B 863 -7.100 30.742 13.228 1.00 29.70 H new ATOM 0 HB ILE B 863 -8.233 28.306 14.169 1.00 31.83 H new ATOM 0 HG12 ILE B 863 -9.855 29.778 13.288 1.00 39.52 H new ATOM 0 HG13 ILE B 863 -10.109 29.529 14.807 1.00 39.52 H new ATOM 0 HG21 ILE B 863 -8.110 29.017 16.332 1.00 30.69 H new ATOM 0 HG22 ILE B 863 -6.670 28.822 15.700 1.00 30.69 H new ATOM 0 HG23 ILE B 863 -7.270 30.278 15.869 1.00 30.69 H new ATOM 0 HD11 ILE B 863 -10.274 31.798 14.351 1.00 43.08 H new ATOM 0 HD12 ILE B 863 -9.052 31.545 15.327 1.00 43.08 H new ATOM 0 HD13 ILE B 863 -8.795 31.799 13.785 1.00 43.08 H new ATOM 2905 N PHE B 864 -5.648 27.884 13.008 1.00 25.51 N ATOM 2906 CA PHE B 864 -4.294 27.219 13.113 1.00 24.88 C ATOM 2907 C PHE B 864 -3.273 27.937 12.230 1.00 25.27 C ATOM 2908 O PHE B 864 -2.226 28.366 12.680 1.00 27.10 O ATOM 2909 CB PHE B 864 -4.448 25.803 12.701 1.00 23.53 C ATOM 2910 CG PHE B 864 -3.126 25.106 12.554 1.00 27.26 C ATOM 2911 CD1 PHE B 864 -2.327 24.903 13.684 1.00 26.90 C ATOM 2912 CD2 PHE B 864 -2.620 24.819 11.284 1.00 27.53 C ATOM 2913 CE1 PHE B 864 -1.069 24.301 13.555 1.00 27.40 C ATOM 2914 CE2 PHE B 864 -1.363 24.225 11.141 1.00 31.50 C ATOM 2915 CZ PHE B 864 -0.594 23.962 12.273 1.00 27.13 C ATOM 0 H PHE B 864 -6.294 27.388 12.730 1.00 25.51 H new ATOM 0 HA PHE B 864 -3.967 27.264 14.025 1.00 24.88 H new ATOM 0 HB2 PHE B 864 -4.987 25.334 13.357 1.00 23.53 H new ATOM 0 HB3 PHE B 864 -4.928 25.764 11.859 1.00 23.53 H new ATOM 0 HD1 PHE B 864 -2.631 25.168 14.522 1.00 26.90 H new ATOM 0 HD2 PHE B 864 -3.123 25.024 10.529 1.00 27.53 H new ATOM 0 HE1 PHE B 864 -0.552 24.127 14.308 1.00 27.40 H new ATOM 0 HE2 PHE B 864 -1.042 24.007 10.296 1.00 31.50 H new ATOM 0 HZ PHE B 864 0.239 23.560 12.181 1.00 27.13 H new ATOM 2916 N GLU B 865 -3.635 28.164 10.957 1.00 27.03 N ATOM 2917 CA GLU B 865 -2.639 28.725 10.006 1.00 29.73 C ATOM 2918 C GLU B 865 -2.243 30.131 10.341 1.00 29.72 C ATOM 2919 O GLU B 865 -1.097 30.473 10.274 1.00 25.92 O ATOM 2920 CB GLU B 865 -3.145 28.622 8.544 1.00 30.53 C ATOM 2921 CG GLU B 865 -3.365 27.210 8.028 1.00 34.24 C ATOM 2922 CD GLU B 865 -2.090 26.334 7.826 1.00 38.69 C ATOM 2923 OE1 GLU B 865 -0.963 26.871 7.898 1.00 40.53 O ATOM 2924 OE2 GLU B 865 -2.223 25.100 7.600 1.00 33.06 O ATOM 0 H GLU B 865 -4.415 28.010 10.629 1.00 27.03 H new ATOM 0 HA GLU B 865 -1.839 28.184 10.093 1.00 29.73 H new ATOM 0 HB2 GLU B 865 -3.980 29.110 8.472 1.00 30.53 H new ATOM 0 HB3 GLU B 865 -2.506 29.066 7.965 1.00 30.53 H new ATOM 0 HG2 GLU B 865 -3.954 26.750 8.646 1.00 34.24 H new ATOM 0 HG3 GLU B 865 -3.832 27.266 7.180 1.00 34.24 H new ATOM 2925 N LYS B 866 -3.178 30.979 10.791 1.00 32.27 N ATOM 2926 CA LYS B 866 -2.789 32.353 11.198 1.00 33.21 C ATOM 2927 C LYS B 866 -1.898 32.356 12.412 1.00 26.55 C ATOM 2928 O LYS B 866 -0.954 33.142 12.490 1.00 29.36 O ATOM 2929 CB LYS B 866 -4.000 33.216 11.612 1.00 41.65 C ATOM 2930 CG LYS B 866 -4.924 33.624 10.511 1.00 55.80 C ATOM 2931 CD LYS B 866 -6.164 34.349 11.077 1.00 67.71 C ATOM 2932 CE LYS B 866 -6.815 35.279 10.053 1.00 67.71 C ATOM 2933 NZ LYS B 866 -7.334 34.556 8.870 1.00 64.96 N ATOM 0 H LYS B 866 -4.014 30.795 10.869 1.00 32.27 H new ATOM 0 HA LYS B 866 -2.343 32.710 10.414 1.00 33.21 H new ATOM 0 HB2 LYS B 866 -4.512 32.726 12.274 1.00 41.65 H new ATOM 0 HB3 LYS B 866 -3.669 34.018 12.046 1.00 41.65 H new ATOM 0 HG2 LYS B 866 -4.458 34.207 9.891 1.00 55.80 H new ATOM 0 HG3 LYS B 866 -5.202 32.842 10.010 1.00 55.80 H new ATOM 0 HD2 LYS B 866 -6.813 33.691 11.371 1.00 67.71 H new ATOM 0 HD3 LYS B 866 -5.906 34.863 11.858 1.00 67.71 H new ATOM 0 HE2 LYS B 866 -7.542 35.761 10.477 1.00 67.71 H new ATOM 0 HE3 LYS B 866 -6.166 35.940 9.764 1.00 67.71 H new ATOM 0 HZ1 LYS B 866 -7.650 35.142 8.279 1.00 64.96 H new ATOM 0 HZ2 LYS B 866 -6.677 34.085 8.498 1.00 64.96 H new ATOM 0 HZ3 LYS B 866 -7.988 34.007 9.121 1.00 64.96 H new ATOM 2934 N ASN B 867 -2.171 31.483 13.384 1.00 26.40 N ATOM 2935 CA ASN B 867 -1.300 31.463 14.598 1.00 25.41 C ATOM 2936 C ASN B 867 0.079 30.887 14.246 1.00 23.21 C ATOM 2937 O ASN B 867 1.080 31.345 14.761 1.00 30.22 O ATOM 2938 CB ASN B 867 -2.009 30.717 15.757 1.00 28.88 C ATOM 2939 CG ASN B 867 -3.072 31.616 16.453 1.00 28.29 C ATOM 2940 OD1 ASN B 867 -2.693 32.533 17.162 1.00 30.22 O ATOM 2941 ND2 ASN B 867 -4.327 31.400 16.185 1.00 29.32 N ATOM 0 H ASN B 867 -2.818 30.916 13.378 1.00 26.40 H new ATOM 0 HA ASN B 867 -1.147 32.368 14.913 1.00 25.41 H new ATOM 0 HB2 ASN B 867 -2.436 29.916 15.414 1.00 28.88 H new ATOM 0 HB3 ASN B 867 -1.350 30.430 16.409 1.00 28.88 H new ATOM 0 HD21 ASN B 867 -4.932 31.916 16.513 1.00 29.32 H new ATOM 0 HD22 ASN B 867 -4.552 30.741 15.680 1.00 29.32 H new ATOM 2942 N PHE B 868 0.102 29.913 13.356 1.00 23.44 N ATOM 2943 CA PHE B 868 1.395 29.323 12.894 1.00 23.82 C ATOM 2944 C PHE B 868 2.283 30.409 12.318 1.00 26.60 C ATOM 2945 O PHE B 868 3.430 30.539 12.688 1.00 25.29 O ATOM 2946 CB PHE B 868 1.083 28.264 11.865 1.00 25.38 C ATOM 2947 CG PHE B 868 2.288 27.601 11.255 1.00 27.59 C ATOM 2948 CD1 PHE B 868 3.270 27.006 12.060 1.00 26.57 C ATOM 2949 CD2 PHE B 868 2.479 27.625 9.859 1.00 32.61 C ATOM 2950 CE1 PHE B 868 4.408 26.437 11.489 1.00 30.97 C ATOM 2951 CE2 PHE B 868 3.637 27.054 9.299 1.00 37.55 C ATOM 2952 CZ PHE B 868 4.587 26.449 10.130 1.00 30.17 C ATOM 0 H PHE B 868 -0.599 29.568 12.998 1.00 23.44 H new ATOM 0 HA PHE B 868 1.874 28.920 13.635 1.00 23.82 H new ATOM 0 HB2 PHE B 868 0.529 27.583 12.278 1.00 25.38 H new ATOM 0 HB3 PHE B 868 0.557 28.665 11.156 1.00 25.38 H new ATOM 0 HD1 PHE B 868 3.161 26.991 12.984 1.00 26.57 H new ATOM 0 HD2 PHE B 868 1.841 28.018 9.308 1.00 32.61 H new ATOM 0 HE1 PHE B 868 5.051 26.046 12.035 1.00 30.97 H new ATOM 0 HE2 PHE B 868 3.771 27.079 8.379 1.00 37.55 H new ATOM 0 HZ PHE B 868 5.343 26.054 9.759 1.00 30.17 H new ATOM 2953 N ARG B 869 1.752 31.185 11.366 1.00 26.87 N ATOM 2954 CA ARG B 869 2.515 32.306 10.783 1.00 31.16 C ATOM 2955 C ARG B 869 2.928 33.342 11.788 1.00 33.01 C ATOM 2956 O ARG B 869 4.031 33.817 11.740 1.00 35.29 O ATOM 2957 CB ARG B 869 1.766 32.945 9.599 1.00 32.88 C ATOM 2958 CG ARG B 869 1.541 31.968 8.480 1.00 35.80 C ATOM 2959 CD ARG B 869 0.979 32.653 7.222 1.00 40.10 C ATOM 2960 NE ARG B 869 -0.266 33.339 7.503 1.00 43.47 N ATOM 2961 CZ ARG B 869 -1.485 32.830 7.322 1.00 47.86 C ATOM 2962 NH1 ARG B 869 -1.671 31.604 6.830 1.00 47.16 N ATOM 2963 NH2 ARG B 869 -2.545 33.567 7.651 1.00 50.64 N ATOM 0 H ARG B 869 0.961 31.084 11.045 1.00 26.87 H new ATOM 0 HA ARG B 869 3.338 31.916 10.449 1.00 31.16 H new ATOM 0 HB2 ARG B 869 0.911 33.287 9.905 1.00 32.88 H new ATOM 0 HB3 ARG B 869 2.273 33.703 9.268 1.00 32.88 H new ATOM 0 HG2 ARG B 869 2.378 31.529 8.262 1.00 35.80 H new ATOM 0 HG3 ARG B 869 0.926 31.277 8.773 1.00 35.80 H new ATOM 0 HD2 ARG B 869 1.629 33.286 6.879 1.00 40.10 H new ATOM 0 HD3 ARG B 869 0.835 31.991 6.528 1.00 40.10 H new ATOM 0 HE ARG B 869 -0.214 34.140 7.812 1.00 43.47 H new ATOM 0 HH11 ARG B 869 -0.994 31.118 6.620 1.00 47.16 H new ATOM 0 HH12 ARG B 869 -2.468 31.300 6.723 1.00 47.16 H new ATOM 0 HH21 ARG B 869 -2.436 34.357 7.974 1.00 50.64 H new ATOM 0 HH22 ARG B 869 -3.338 33.253 7.540 1.00 50.64 H new ATOM 2964 N ASN B 870 2.065 33.691 12.733 1.00 32.84 N ATOM 2965 CA ASN B 870 2.456 34.657 13.739 1.00 34.61 C ATOM 2966 C ASN B 870 3.488 34.131 14.710 1.00 36.02 C ATOM 2967 O ASN B 870 4.424 34.824 15.056 1.00 35.64 O ATOM 2968 CB ASN B 870 1.225 35.045 14.522 1.00 37.13 C ATOM 2969 CG ASN B 870 1.503 36.109 15.519 1.00 50.21 C ATOM 2970 OD1 ASN B 870 1.445 35.877 16.737 1.00 63.10 O ATOM 2971 ND2 ASN B 870 1.851 37.284 15.029 1.00 58.75 N ATOM 0 H ASN B 870 1.264 33.386 12.807 1.00 32.84 H new ATOM 0 HA ASN B 870 2.856 35.410 13.276 1.00 34.61 H new ATOM 0 HB2 ASN B 870 0.538 35.350 13.909 1.00 37.13 H new ATOM 0 HB3 ASN B 870 0.873 34.263 14.976 1.00 37.13 H new ATOM 0 HD21 ASN B 870 2.050 37.930 15.561 1.00 58.75 H new ATOM 0 HD22 ASN B 870 1.879 37.404 14.178 1.00 58.75 H new ATOM 2972 N ILE B 871 3.290 32.909 15.217 1.00 33.84 N ATOM 2973 CA ILE B 871 4.218 32.361 16.258 1.00 31.91 C ATOM 2974 C ILE B 871 5.636 32.155 15.683 1.00 29.68 C ATOM 2975 O ILE B 871 6.654 32.445 16.342 1.00 33.10 O ATOM 2976 CB ILE B 871 3.632 31.066 16.869 1.00 34.08 C ATOM 2977 CG1 ILE B 871 2.414 31.453 17.682 1.00 34.52 C ATOM 2978 CG2 ILE B 871 4.653 30.354 17.780 1.00 39.42 C ATOM 2979 CD1 ILE B 871 1.419 30.324 17.910 1.00 34.48 C ATOM 0 H ILE B 871 2.648 32.384 14.989 1.00 33.84 H new ATOM 0 HA ILE B 871 4.303 33.007 16.976 1.00 31.91 H new ATOM 0 HB ILE B 871 3.401 30.451 16.155 1.00 34.08 H new ATOM 0 HG12 ILE B 871 2.708 31.788 18.544 1.00 34.52 H new ATOM 0 HG13 ILE B 871 1.959 32.183 17.234 1.00 34.52 H new ATOM 0 HG21 ILE B 871 4.255 29.549 18.145 1.00 39.42 H new ATOM 0 HG22 ILE B 871 5.440 30.119 17.263 1.00 39.42 H new ATOM 0 HG23 ILE B 871 4.908 30.946 18.505 1.00 39.42 H new ATOM 0 HD11 ILE B 871 0.672 30.652 18.436 1.00 34.48 H new ATOM 0 HD12 ILE B 871 1.095 30.001 17.055 1.00 34.48 H new ATOM 0 HD13 ILE B 871 1.855 29.599 18.385 1.00 34.48 H new ATOM 2980 N PHE B 872 5.702 31.652 14.466 1.00 30.21 N ATOM 2981 CA PHE B 872 6.985 31.329 13.825 1.00 31.51 C ATOM 2982 C PHE B 872 7.473 32.439 12.855 1.00 39.17 C ATOM 2983 O PHE B 872 8.390 32.216 12.064 1.00 40.55 O ATOM 2984 CB PHE B 872 6.893 29.988 13.083 1.00 33.27 C ATOM 2985 CG PHE B 872 6.849 28.784 14.018 1.00 33.64 C ATOM 2986 CD1 PHE B 872 8.007 28.185 14.468 1.00 35.88 C ATOM 2987 CD2 PHE B 872 5.640 28.287 14.488 1.00 36.36 C ATOM 2988 CE1 PHE B 872 7.956 27.099 15.343 1.00 28.57 C ATOM 2989 CE2 PHE B 872 5.584 27.187 15.345 1.00 33.62 C ATOM 2990 CZ PHE B 872 6.752 26.592 15.761 1.00 32.91 C ATOM 0 H PHE B 872 5.013 31.484 13.980 1.00 30.21 H new ATOM 0 HA PHE B 872 7.640 31.264 14.537 1.00 31.51 H new ATOM 0 HB2 PHE B 872 6.098 29.987 12.527 1.00 33.27 H new ATOM 0 HB3 PHE B 872 7.655 29.901 12.489 1.00 33.27 H new ATOM 0 HD1 PHE B 872 8.832 28.509 14.185 1.00 35.88 H new ATOM 0 HD2 PHE B 872 4.848 28.698 14.225 1.00 36.36 H new ATOM 0 HE1 PHE B 872 8.747 26.715 15.646 1.00 28.57 H new ATOM 0 HE2 PHE B 872 4.763 26.859 15.633 1.00 33.62 H new ATOM 0 HZ PHE B 872 6.726 25.851 16.322 1.00 32.91 H new ATOM 2991 N ALA B 873 6.824 33.608 12.889 1.00 34.96 N ATOM 2992 CA ALA B 873 7.157 34.744 12.022 1.00 37.16 C ATOM 2993 C ALA B 873 7.358 34.403 10.570 1.00 37.48 C ATOM 2994 O ALA B 873 8.424 34.635 10.027 1.00 40.33 O ATOM 2995 CB ALA B 873 8.384 35.443 12.593 1.00 39.16 C ATOM 0 H ALA B 873 6.169 33.765 13.424 1.00 34.96 H new ATOM 0 HA ALA B 873 6.385 35.331 12.021 1.00 37.16 H new ATOM 0 HB1 ALA B 873 8.618 36.198 12.030 1.00 39.16 H new ATOM 0 HB2 ALA B 873 8.190 35.757 13.490 1.00 39.16 H new ATOM 0 HB3 ALA B 873 9.127 34.820 12.623 1.00 39.16 H new ATOM 2996 N ILE B 874 6.374 33.785 9.948 1.00 40.67 N ATOM 2997 CA ILE B 874 6.516 33.287 8.568 1.00 46.93 C ATOM 2998 C ILE B 874 6.186 34.464 7.670 1.00 59.31 C ATOM 2999 O ILE B 874 5.155 35.100 7.907 1.00 53.39 O ATOM 3000 CB ILE B 874 5.485 32.207 8.250 1.00 45.08 C ATOM 3001 CG1 ILE B 874 5.651 30.990 9.186 1.00 49.67 C ATOM 3002 CG2 ILE B 874 5.481 31.851 6.752 1.00 44.14 C ATOM 3003 CD1 ILE B 874 6.544 29.913 8.691 1.00 53.24 C ATOM 0 H ILE B 874 5.604 33.636 10.300 1.00 40.67 H new ATOM 0 HA ILE B 874 7.406 32.921 8.446 1.00 46.93 H new ATOM 0 HB ILE B 874 4.600 32.561 8.430 1.00 45.08 H new ATOM 0 HG12 ILE B 874 5.991 31.303 10.039 1.00 49.67 H new ATOM 0 HG13 ILE B 874 4.775 30.609 9.353 1.00 49.67 H new ATOM 0 HG21 ILE B 874 4.817 31.164 6.584 1.00 44.14 H new ATOM 0 HG22 ILE B 874 5.267 32.641 6.232 1.00 44.14 H new ATOM 0 HG23 ILE B 874 6.357 31.523 6.495 1.00 44.14 H new ATOM 0 HD11 ILE B 874 6.583 29.198 9.345 1.00 53.24 H new ATOM 0 HD12 ILE B 874 6.199 29.566 7.853 1.00 53.24 H new ATOM 0 HD13 ILE B 874 7.435 30.270 8.550 1.00 53.24 H new ATOM 3004 N GLN B 875 7.017 34.736 6.650 1.00 66.90 N ATOM 3005 CA GLN B 875 6.742 35.774 5.617 1.00 74.83 C ATOM 3006 C GLN B 875 5.234 35.889 5.215 1.00 91.31 C ATOM 3007 O GLN B 875 4.563 34.865 4.997 1.00 93.30 O ATOM 3008 CB GLN B 875 7.579 35.484 4.360 1.00 74.81 C ATOM 3009 CG GLN B 875 7.359 34.089 3.730 1.00 79.15 C ATOM 3010 CD GLN B 875 7.426 34.072 2.193 1.00 82.80 C ATOM 3011 OE1 GLN B 875 8.221 34.789 1.582 1.00 89.83 O ATOM 3012 NE2 GLN B 875 6.601 33.241 1.569 1.00 76.77 N ATOM 0 H GLN B 875 7.763 34.324 6.532 1.00 66.90 H new ATOM 0 HA GLN B 875 6.988 36.623 6.016 1.00 74.83 H new ATOM 0 HB2 GLN B 875 7.379 36.159 3.693 1.00 74.81 H new ATOM 0 HB3 GLN B 875 8.518 35.577 4.586 1.00 74.81 H new ATOM 0 HG2 GLN B 875 8.027 33.479 4.079 1.00 79.15 H new ATOM 0 HG3 GLN B 875 6.493 33.752 4.009 1.00 79.15 H new ATOM 0 HE21 GLN B 875 6.057 32.753 2.023 1.00 76.77 H new ATOM 0 HE22 GLN B 875 6.610 33.190 0.711 1.00 76.77 H new ATOM 3013 N GLU B 876 4.707 37.118 5.125 1.00101.31 N ATOM 3014 CA GLU B 876 3.287 37.351 4.747 1.00103.75 C ATOM 3015 C GLU B 876 3.098 37.380 3.219 1.00105.28 C ATOM 3016 O GLU B 876 3.678 36.567 2.483 1.00100.53 O ATOM 3017 CB GLU B 876 2.750 38.651 5.368 1.00 97.08 C ATOM 0 H GLU B 876 5.151 37.838 5.278 1.00101.31 H new ATOM 0 HA GLU B 876 2.778 36.604 5.100 1.00103.75 H new TER 3018 GLU B 876 HETATM 3019 ZN ZN A 901 19.328 7.816 4.186 1.00 30.43 ZN2+ HETATM 3020 ZN ZN A 902 22.531 -6.427 2.805 1.00 35.58 ZN2+ HETATM 3021 ZN ZN A 903 34.505 -20.191 14.967 0.43 62.69 ZN2+ HETATM 3022 O1 MES A 904 19.455 32.169 23.661 0.59 44.06 O HETATM 3023 C2 MES A 904 18.773 31.944 24.881 0.59 42.67 C HETATM 3024 C3 MES A 904 18.679 30.451 25.124 0.59 41.31 C HETATM 3025 N4 MES A 904 17.952 29.752 24.037 0.59 40.84 N HETATM 3026 C5 MES A 904 18.281 30.222 22.660 0.59 40.89 C HETATM 3027 C6 MES A 904 18.726 31.698 22.522 0.59 43.64 C HETATM 3028 C7 MES A 904 18.062 28.255 24.119 0.59 40.58 C HETATM 3029 C8 MES A 904 18.064 27.642 25.524 0.59 37.06 C HETATM 3030 S MES A 904 17.400 26.075 25.703 0.59 36.13 S HETATM 3031 O1S MES A 904 18.117 25.339 26.766 0.59 36.48 O HETATM 3032 O2S MES A 904 17.441 25.377 24.438 0.59 32.90 O HETATM 3033 O3S MES A 904 15.985 26.301 26.145 0.59 33.68 O HETATM 0 HN4 MES A 904 17.132 29.971 24.179 0.59 40.84 H new HETATM 0 H82 MES A 904 18.981 27.616 25.838 0.59 37.06 H new HETATM 0 H81 MES A 904 17.580 28.241 26.113 0.59 37.06 H new HETATM 0 H72 MES A 904 17.324 27.869 23.621 0.59 40.58 H new HETATM 0 H71 MES A 904 18.879 27.986 23.670 0.59 40.58 H new HETATM 0 H62 MES A 904 17.943 32.256 22.391 0.59 43.64 H new HETATM 0 H61 MES A 904 19.277 31.792 21.729 0.59 43.64 H new HETATM 0 H52 MES A 904 18.987 29.658 22.307 0.59 40.89 H new HETATM 0 H51 MES A 904 17.502 30.086 22.099 0.59 40.89 H new HETATM 0 H32 MES A 904 19.572 30.081 25.204 0.59 41.31 H new HETATM 0 H31 MES A 904 18.229 30.290 25.968 0.59 41.31 H new HETATM 0 H22 MES A 904 19.244 32.374 25.612 0.59 42.67 H new HETATM 0 H21 MES A 904 17.886 32.335 24.846 0.59 42.67 H new HETATM 3034 C1 EDO A 905 31.977 -0.547 31.912 1.00 65.84 C HETATM 3035 O1 EDO A 905 30.604 -0.118 31.824 1.00 70.21 O HETATM 3036 C2 EDO A 905 32.101 -1.986 32.383 1.00 60.70 C HETATM 3037 O2 EDO A 905 33.292 -2.624 31.867 1.00 51.84 O HETATM 0 HO2 EDO A 905 33.203 -3.458 31.907 1.00 51.84 H new HETATM 0 HO1 EDO A 905 30.152 -0.704 31.426 1.00 70.21 H new HETATM 0 H22 EDO A 905 32.118 -2.008 33.353 1.00 60.70 H new HETATM 0 H21 EDO A 905 31.319 -2.486 32.101 1.00 60.70 H new HETATM 0 H12 EDO A 905 32.399 -0.455 31.043 1.00 65.84 H new HETATM 0 H11 EDO A 905 32.457 0.034 32.523 1.00 65.84 H new HETATM 3038 ZN ZN B 901 -10.344 25.355 30.902 1.00 27.10 ZN2+ HETATM 3039 ZN ZN B 902 0.900 34.633 32.169 1.00 30.20 ZN2+ HETATM 3040 C1 EDO B 903 12.872 26.592 28.556 1.00 65.23 C HETATM 3041 O1 EDO B 903 11.614 26.345 29.188 1.00 60.88 O HETATM 3042 C2 EDO B 903 12.793 26.381 27.047 1.00 65.52 C HETATM 3043 O2 EDO B 903 11.954 27.354 26.420 1.00 62.65 O HETATM 0 HO2 EDO B 903 11.931 27.213 25.592 1.00 62.65 H new HETATM 0 HO1 EDO B 903 11.409 27.001 29.670 1.00 60.88 H new HETATM 0 H22 EDO B 903 13.684 26.428 26.666 1.00 65.52 H new HETATM 0 H21 EDO B 903 12.452 25.492 26.862 1.00 65.52 H new HETATM 0 H12 EDO B 903 13.156 27.501 28.742 1.00 65.23 H new HETATM 0 H11 EDO B 903 13.545 26.003 28.931 1.00 65.23 H new HETATM 3044 O HOH A1001 16.162 23.384 27.373 1.00120.87 O HETATM 3045 O HOH A1002 45.033 1.356 23.232 1.00 45.02 O HETATM 3046 O HOH A1003 19.645 25.461 33.348 1.00 54.91 O HETATM 3047 O HOH A1004 34.905 4.928 6.877 1.00 46.14 O HETATM 3048 O HOH A1005 19.248 -0.178 27.395 1.00 57.51 O HETATM 3049 O HOH A1006 19.025 5.253 29.018 1.00 49.51 O HETATM 3050 O HOH A1007 16.902 -1.830 9.762 1.00 58.22 O HETATM 3051 O HOH A1008 16.043 15.611 34.806 1.00 56.47 O HETATM 3052 O HOH A1009 29.340 14.879 30.969 1.00 36.65 O HETATM 3053 O HOH A1010 13.944 5.008 26.701 1.00 62.82 O HETATM 3054 O HOH A1011 19.613 15.946 34.015 1.00 49.80 O HETATM 3055 O HOH A1012 35.596 -1.787 31.645 1.00 46.20 O HETATM 3056 O HOH A1013 39.530 -9.985 24.403 1.00 50.04 O HETATM 3057 O HOH A1014 34.720 -1.470 8.060 1.00 29.90 O HETATM 3058 O HOH A1015 30.260 -5.770 -0.845 1.00 63.55 O HETATM 3059 O HOH A1016 36.579 0.603 30.129 1.00 53.21 O HETATM 3060 O HOH A1017 30.936 21.235 13.478 1.00 39.66 O HETATM 3061 O HOH A1018 15.467 3.058 16.824 1.00 33.52 O HETATM 3062 O HOH A1019 10.401 -0.070 -0.660 1.00 75.58 O HETATM 3063 O HOH A1020 32.414 21.912 20.278 1.00 31.58 O HETATM 3064 O HOH A1021 26.040 18.796 35.900 1.00 62.56 O HETATM 3065 O HOH A1022 19.467 -11.450 2.613 1.00 67.53 O HETATM 3066 O HOH A1023 25.596 22.244 14.673 1.00 36.44 O HETATM 3067 O HOH A1024 29.031 -8.889 33.708 1.00121.16 O HETATM 3068 O HOH A1025 14.473 1.268 8.013 1.00 53.30 O HETATM 3069 O HOH A1026 19.000 11.198 -2.597 1.00 41.53 O HETATM 3070 O HOH A1027 17.185 27.490 32.428 1.00 61.73 O HETATM 3071 O HOH A1028 26.544 -3.853 28.753 1.00 30.56 O HETATM 3072 O HOH A1029 14.101 4.622 29.405 1.00 64.19 O HETATM 3073 O BHOH A1030 21.044 8.495 29.476 0.92 59.72 O HETATM 3074 O BHOH A1031 19.199 12.709 29.932 0.64 30.90 O HETATM 3075 O HOH A1032 14.745 4.246 23.575 1.00 34.92 O HETATM 3076 O HOH A1033 26.383 20.781 31.939 1.00 34.41 O HETATM 3077 O HOH A1034 33.061 23.532 30.416 1.00 78.12 O HETATM 3078 O HOH A1035 23.006 -9.000 26.787 1.00 52.39 O HETATM 3079 O HOH A1036 35.514 10.131 25.631 1.00 32.15 O HETATM 3080 O HOH A1037 24.561 17.858 24.961 1.00 27.59 O HETATM 3081 O HOH A1038 23.292 -13.381 18.090 1.00 70.88 O HETATM 3082 O HOH A1039 17.513 -12.909 28.413 1.00 57.03 O HETATM 3083 O HOH A1040 40.132 -7.266 18.561 1.00 39.55 O HETATM 3084 O HOH A1041 20.225 34.582 24.312 1.00 86.00 O HETATM 3085 O HOH A1042 22.998 8.663 -2.068 1.00 33.93 O HETATM 3086 O HOH A1043 34.824 3.575 -2.658 1.00 73.07 O HETATM 3087 O HOH A1044 31.571 -9.961 21.376 1.00 35.06 O HETATM 3088 O HOH A1045 14.277 0.032 27.780 1.00 68.63 O HETATM 3089 O HOH A1046 38.163 11.894 6.899 1.00105.09 O HETATM 3090 O HOH A1047 23.300 -14.205 33.754 1.00 37.57 O HETATM 3091 O HOH A1048 30.013 -17.272 27.522 1.00 67.45 O HETATM 3092 O HOH A1049 19.849 24.380 24.084 1.00 47.96 O HETATM 3093 O HOH A1050 10.853 6.379 25.510 1.00 66.64 O HETATM 3094 O HOH A1051 24.264 -13.459 22.247 1.00 31.50 O HETATM 3095 O HOH A1052 15.121 -4.547 -6.675 1.00 64.41 O HETATM 3096 O HOH A1053 28.865 29.522 29.820 1.00 54.43 O HETATM 3097 O HOH A1054 28.793 11.133 -4.517 1.00 67.35 O HETATM 3098 O HOH A1055 35.113 17.964 21.926 1.00 43.10 O HETATM 3099 O HOH A1056 15.803 12.433 12.270 1.00 42.09 O HETATM 3100 O HOH A1057 22.396 17.603 15.931 1.00 31.73 O HETATM 3101 O HOH A1058 48.158 -0.797 24.476 1.00 58.53 O HETATM 3102 O HOH A1059 37.364 11.459 22.654 1.00 49.33 O HETATM 3103 O HOH A1060 14.668 10.824 8.188 1.00 48.33 O HETATM 3104 O HOH A1061 30.869 6.791 -0.765 1.00 46.49 O HETATM 3105 O HOH A1062 40.428 -0.097 10.201 1.00 41.86 O HETATM 3106 O HOH A1063 19.444 -5.728 12.585 1.00 67.10 O HETATM 3107 O HOH A1064 12.273 7.883 17.017 1.00 59.78 O HETATM 3108 O HOH A1065 21.929 -4.370 -5.909 1.00 66.84 O HETATM 3109 O HOH A1066 34.658 -13.703 9.690 1.00 49.65 O HETATM 3110 O HOH A1067 22.862 -8.161 10.373 1.00 45.59 O HETATM 3111 O HOH A1068 33.526 -8.996 34.024 1.00 66.46 O HETATM 3112 O HOH A1069 46.136 -7.326 17.800 1.00 60.67 O HETATM 3113 O HOH A1070 42.088 1.813 14.756 1.00 49.19 O HETATM 3114 O HOH A1071 25.012 27.673 29.143 1.00 28.93 O HETATM 3115 O HOH A1072 13.146 6.353 14.139 1.00 39.42 O HETATM 3116 O HOH A1073 36.965 13.129 14.676 1.00 55.96 O HETATM 3117 O HOH A1074 25.674 15.634 23.712 1.00 20.99 O HETATM 3118 O HOH A1075 20.143 11.484 12.338 1.00 34.17 O HETATM 3119 O HOH A1076 31.050 -11.568 19.374 1.00 50.23 O HETATM 3120 O HOH A1077 11.488 23.781 28.354 1.00 50.36 O HETATM 3121 O HOH A1078 30.444 -21.175 23.372 1.00 32.64 O HETATM 3122 O HOH A1079 28.957 7.176 6.340 1.00 30.38 O HETATM 3123 O HOH A1080 26.112 11.310 9.032 1.00 49.21 O HETATM 3124 O HOH A1081 23.546 -10.216 23.629 1.00 66.62 O HETATM 3125 O HOH A1082 20.142 -6.882 26.223 1.00 44.56 O HETATM 3126 O HOH A1083 27.913 -11.073 1.336 1.00 73.07 O HETATM 3127 O HOH A1084 24.836 -1.241 -4.941 1.00 59.61 O HETATM 3128 O HOH A1085 20.631 -0.554 29.440 1.00 49.76 O HETATM 3129 O HOH A1086 9.281 9.674 22.534 1.00 37.21 O HETATM 3130 O HOH A1087 34.027 -13.954 20.884 1.00 60.97 O HETATM 3131 O HOH A1088 37.703 8.230 25.777 1.00 52.05 O HETATM 3132 O HOH A1089 18.945 26.444 17.921 1.00 70.07 O HETATM 3133 O HOH A1090 7.255 17.238 26.504 1.00 62.87 O HETATM 3134 O HOH A1091 34.191 4.101 9.121 1.00 27.78 O HETATM 3135 O HOH A1092 21.748 26.239 38.133 1.00 63.67 O HETATM 3136 O HOH A1093 21.393 -4.997 16.706 1.00 32.56 O HETATM 3137 O HOH A1094 19.885 30.889 27.642 1.00108.24 O HETATM 3138 O HOH A1095 20.038 -6.210 -5.382 1.00 61.67 O HETATM 3139 O HOH A1096 12.943 5.536 19.799 1.00 61.13 O HETATM 3140 O HOH A1097 14.927 1.531 23.355 1.00 52.19 O HETATM 3141 O HOH A1098 22.074 6.125 32.471 1.00 59.46 O HETATM 3142 O BHOH A1099 21.084 11.262 28.564 0.62 27.86 O HETATM 3143 O HOH A1100 37.573 8.011 23.081 1.00 35.47 O HETATM 3144 O HOH A1101 15.275 -4.742 27.342 1.00 59.32 O HETATM 3145 O HOH A1102 23.692 -7.900 29.612 1.00 51.79 O HETATM 3146 O HOH A1103 32.027 8.380 28.601 1.00 27.84 O HETATM 3147 O HOH A1104 30.005 -11.917 15.684 1.00 47.10 O HETATM 3148 O HOH A1105 31.885 -4.239 33.617 1.00 52.95 O HETATM 3149 O HOH A1106 24.671 -2.055 28.040 1.00 33.68 O HETATM 3150 O HOH A1107 27.469 -15.067 4.356 1.00 64.25 O HETATM 3151 O HOH A1108 32.081 16.546 29.089 1.00 27.29 O HETATM 3152 O HOH A1109 24.126 -11.410 20.411 1.00 46.11 O HETATM 3153 O HOH A1110 29.747 -2.918 3.201 1.00 36.17 O HETATM 3154 O HOH A1111 30.064 22.340 21.569 1.00 27.06 O HETATM 3155 O HOH A1112 33.769 -14.938 12.232 1.00 49.00 O HETATM 3156 O HOH A1113 17.672 -0.412 17.269 1.00 31.22 O HETATM 3157 O HOH A1114 28.206 17.062 23.869 1.00 20.89 O HETATM 3158 O HOH A1115 17.737 1.716 15.798 1.00 25.35 O HETATM 3159 O HOH A1116 16.187 -0.251 2.750 1.00 36.19 O HETATM 3160 O HOH A1117 11.467 20.797 26.263 1.00 34.11 O HETATM 3161 O HOH A1118 26.907 -9.403 31.553 1.00 43.50 O HETATM 3162 O HOH A1119 38.858 -9.564 15.405 1.00 45.53 O HETATM 3163 O HOH A1120 27.465 -1.067 31.500 1.00 61.90 O HETATM 3164 O HOH A1121 19.286 27.307 20.719 1.00 72.43 O HETATM 3165 O HOH A1122 32.921 6.257 5.237 1.00 47.97 O HETATM 3166 O HOH A1123 17.837 -8.150 27.652 1.00 55.75 O HETATM 3167 O HOH A1124 25.027 9.392 -3.721 1.00 53.22 O HETATM 3168 O HOH A1125 20.590 -9.250 8.635 1.00 58.79 O HETATM 3169 O HOH A1126 31.339 12.565 9.441 1.00 49.56 O HETATM 3170 O HOH A1127 28.711 0.073 -4.951 1.00 66.61 O HETATM 3171 O HOH A1128 20.142 19.077 20.033 1.00 38.53 O HETATM 3172 O HOH A1129 36.543 -3.267 9.168 1.00 29.48 O HETATM 3173 O HOH A1130 16.819 7.954 11.320 1.00 35.16 O HETATM 3174 O HOH A1131 25.992 7.880 29.196 1.00 41.20 O HETATM 3175 O HOH A1132 35.778 -20.395 19.638 1.00 59.89 O HETATM 3176 O HOH A1133 30.578 22.015 32.801 1.00 52.38 O HETATM 3177 O HOH A1134 29.061 -10.617 3.791 1.00 53.74 O HETATM 3178 O HOH A1135 13.692 5.938 11.842 1.00 58.13 O HETATM 3179 O HOH A1136 27.106 -21.346 10.725 1.00 58.33 O HETATM 3180 O HOH A1137 31.542 25.210 29.784 1.00 59.67 O HETATM 3181 O HOH A1138 39.890 -7.905 25.673 1.00 40.08 O HETATM 3182 O HOH A1139 27.993 27.144 28.433 1.00 39.93 O HETATM 3183 O HOH A1140 22.057 26.105 24.207 1.00 33.35 O HETATM 3184 O HOH A1141 42.402 -7.218 21.367 1.00 41.89 O HETATM 3185 O HOH A1142 15.508 25.773 22.397 1.00 28.44 O HETATM 3186 O HOH A1143 44.172 3.404 15.529 1.00 55.99 O HETATM 3187 O HOH A1144 31.780 -10.042 6.807 1.00 48.12 O HETATM 3188 O HOH A1145 16.654 4.130 30.487 1.00 55.58 O HETATM 3189 O HOH A1146 19.252 -7.967 -3.041 1.00 61.78 O HETATM 3190 O HOH A1147 21.250 -8.372 30.145 1.00 54.33 O HETATM 3191 O HOH A1148 35.927 11.610 18.762 1.00 42.72 O HETATM 3192 O HOH A1149 22.234 0.327 -6.414 1.00 50.72 O HETATM 3193 O HOH A1150 24.097 10.380 1.225 1.00 35.75 O HETATM 3194 O HOH A1151 39.270 -8.716 12.846 1.00 41.25 O HETATM 3195 O HOH A1152 19.928 -6.370 23.449 1.00 29.77 O HETATM 3196 O HOH A1153 24.385 17.412 19.220 1.00 22.75 O HETATM 3197 O HOH A1154 29.028 -7.597 31.250 1.00 32.46 O HETATM 3198 O HOH A1155 37.398 -2.886 30.537 1.00 44.90 O HETATM 3199 O HOH A1156 25.561 23.110 34.366 1.00 50.09 O HETATM 3200 O HOH A1157 40.603 -0.060 12.919 1.00 34.06 O HETATM 3201 O HOH A1158 17.108 -1.719 27.662 1.00 73.84 O HETATM 3202 O HOH A1159 24.531 7.316 9.056 1.00 30.36 O HETATM 3203 O HOH A1160 25.840 2.816 30.185 1.00 52.99 O HETATM 3204 O HOH A1161 32.526 6.017 10.050 1.00 27.39 O HETATM 3205 O HOH A1162 21.046 19.971 22.228 1.00 38.50 O HETATM 3206 O HOH A1163 35.789 19.124 18.368 1.00 69.52 O HETATM 3207 O HOH A1164 20.821 3.207 28.741 1.00 57.31 O HETATM 3208 O HOH A1165 18.055 30.286 28.869 1.00 44.87 O HETATM 3209 O HOH A1166 38.923 3.326 14.799 1.00 31.08 O HETATM 3210 O HOH A1167 23.718 18.667 35.945 1.00 59.48 O HETATM 3211 O HOH A1168 34.860 21.942 16.844 1.00 55.94 O HETATM 3212 O HOH A1169 18.285 -3.423 16.291 1.00 61.82 O HETATM 3213 O HOH A1170 15.603 3.516 10.270 1.00 33.32 O HETATM 3214 O HOH A1171 22.407 18.003 23.595 1.00 32.20 O HETATM 3215 O HOH A1172 15.824 28.205 28.337 1.00 44.99 O HETATM 3216 O HOH A1173 28.501 17.672 11.653 1.00 30.10 O HETATM 3217 O HOH A1174 27.056 -8.885 15.810 1.00 47.88 O HETATM 3218 O HOH A1175 45.117 -6.244 23.965 1.00 51.78 O HETATM 3219 O HOH A1176 32.020 -16.032 25.028 1.00 64.88 O HETATM 3220 O HOH A1177 30.536 23.377 26.099 1.00 44.48 O HETATM 3221 O HOH A1178 9.352 7.917 3.047 1.00 66.83 O HETATM 3222 O HOH A1179 32.690 -17.051 22.786 1.00 61.50 O HETATM 3223 O HOH A1180 27.020 18.833 30.244 1.00 28.28 O HETATM 3224 O HOH A1181 25.481 15.705 20.950 1.00 22.28 O HETATM 3225 O HOH A1182 38.037 3.409 8.591 1.00 52.87 O HETATM 3226 O HOH A1183 12.718 -2.586 27.347 1.00 53.51 O HETATM 3227 O HOH A1184 30.424 -13.976 30.193 1.00 47.21 O HETATM 3228 O HOH A1185 25.566 -18.213 13.324 1.00 70.35 O HETATM 3229 O HOH A1186 40.756 4.081 21.653 1.00 32.25 O HETATM 3230 O HOH A1187 31.547 18.215 31.495 1.00 34.74 O HETATM 3231 O HOH A1188 25.333 -12.628 5.132 1.00 52.45 O HETATM 3232 O HOH A1189 19.930 9.388 10.268 1.00 33.40 O HETATM 3233 O HOH A1190 31.300 17.041 12.634 1.00 30.18 O HETATM 3234 O HOH A1191 34.088 -12.144 27.760 1.00 33.81 O HETATM 3235 O HOH A1192 17.686 -2.879 -7.322 1.00 68.69 O HETATM 3236 O HOH A1193 35.737 18.189 15.669 1.00 68.80 O HETATM 3237 O HOH A1194 33.376 -12.318 7.353 1.00 64.77 O HETATM 3238 O HOH A1195 28.477 17.527 34.870 1.00 59.34 O HETATM 3239 O HOH A1196 36.498 8.040 29.070 1.00 91.82 O HETATM 3240 O HOH A1197 32.113 -6.596 32.799 1.00 39.86 O HETATM 3241 O HOH A1198 21.202 17.172 12.911 1.00 51.87 O HETATM 3242 O HOH A1199 16.543 22.483 35.211 1.00 64.44 O HETATM 3243 O HOH A1200 40.099 4.875 26.177 1.00 56.57 O HETATM 3244 O HOH A1201 24.294 -8.429 15.447 1.00 45.91 O HETATM 3245 O HOH A1202 44.784 6.436 18.339 1.00 81.89 O HETATM 3246 O HOH A1203 28.503 19.900 12.955 1.00 30.65 O HETATM 3247 O HOH A1204 24.415 9.290 30.520 1.00 44.16 O HETATM 3248 O HOH A1205 28.800 -10.380 13.935 1.00 50.68 O HETATM 3249 O HOH A1206 15.563 27.274 30.584 1.00 51.65 O HETATM 3250 O HOH A1207 24.061 15.845 10.274 1.00 46.26 O HETATM 3251 O HOH A1208 21.552 -13.559 14.901 1.00 66.15 O HETATM 3252 O HOH A1209 34.903 2.549 29.947 1.00 52.93 O HETATM 3253 O HOH A1210 22.866 22.475 20.759 1.00 39.15 O HETATM 3254 O HOH A1211 27.480 -11.201 33.346 1.00 65.09 O HETATM 3255 O HOH A1212 18.116 -1.052 11.761 1.00 50.95 O HETATM 3256 O HOH A1213 44.304 5.493 21.219 1.00 42.83 O HETATM 3257 O HOH A1214 26.664 5.376 30.686 1.00 55.79 O HETATM 3258 O HOH A1215 21.533 -9.591 24.116 1.00 80.61 O HETATM 3259 O HOH A1216 32.450 3.332 28.796 1.00 34.03 O HETATM 3260 O HOH A1217 10.595 21.123 30.652 1.00 44.33 O HETATM 3261 O HOH A1218 25.559 29.756 33.449 1.00 54.68 O HETATM 3262 O HOH A1219 35.443 1.271 -4.259 1.00 81.74 O HETATM 3263 O HOH A1220 43.042 1.561 27.668 1.00 57.96 O HETATM 3264 O HOH A1221 36.633 -12.751 22.820 1.00 63.64 O HETATM 3265 O HOH A1222 22.440 20.109 16.651 1.00 58.91 O HETATM 3266 O HOH A1223 39.888 5.081 29.528 1.00 57.11 O HETATM 3267 O HOH A1224 29.483 -0.459 -8.225 1.00 80.26 O HETATM 3268 O HOH A1225 23.168 -10.329 12.279 1.00 59.76 O HETATM 3269 O HOH A1226 21.074 28.507 23.009 1.00 47.83 O HETATM 3270 O HOH A1227 30.674 -3.274 -12.779 1.00 60.28 O HETATM 3271 O HOH A1228 37.977 -8.194 31.743 1.00 53.89 O HETATM 3272 O HOH A1229 33.394 15.523 12.422 1.00 51.95 O HETATM 3273 O HOH A1230 29.867 9.907 34.235 1.00 62.59 O HETATM 3274 O HOH A1231 21.695 -13.059 36.002 1.00 62.72 O HETATM 3275 O HOH A1232 20.097 -8.674 22.196 1.00 50.81 O HETATM 3276 O HOH A1233 34.641 5.983 31.144 1.00 57.35 O HETATM 3277 O HOH A1234 34.362 23.154 26.214 1.00 51.15 O HETATM 3278 O HOH A1235 33.899 4.926 2.767 1.00 50.55 O HETATM 3279 O HOH A1236 31.325 11.228 31.784 1.00 47.23 O HETATM 3280 O HOH A1237 33.183 9.109 4.580 1.00 53.83 O HETATM 3281 O HOH A1238 31.571 13.942 31.860 1.00 41.77 O HETATM 3282 O HOH A1239 24.247 -11.961 -4.632 1.00 71.28 O HETATM 3283 O HOH A1240 5.906 19.370 30.476 1.00 54.08 O HETATM 3284 O HOH A1241 20.986 31.065 19.598 1.00 53.04 O HETATM 3285 O HOH A1242 18.278 13.928 34.496 1.00 55.96 O HETATM 3286 O HOH A1243 14.676 2.046 12.515 1.00 50.58 O HETATM 3287 O HOH A1244 40.769 3.181 23.922 1.00 45.18 O HETATM 3288 O HOH A1245 31.461 -4.833 0.947 1.00 69.26 O HETATM 3289 O HOH A1246 24.639 -0.330 30.393 1.00 64.41 O HETATM 3290 O HOH A1247 18.028 24.931 35.608 1.00 62.57 O HETATM 3291 O HOH A1248 21.421 -9.522 5.980 1.00 53.12 O HETATM 3292 O HOH A1249 33.621 -14.649 26.731 1.00 58.03 O HETATM 3293 O HOH A1250 28.841 13.537 8.869 1.00 67.76 O HETATM 3294 O HOH A1251 17.928 28.629 27.944 1.00110.92 O HETATM 3295 O HOH A1252 32.027 -17.632 26.290 1.00 64.80 O HETATM 3296 O HOH A1253 33.722 1.480 31.432 1.00 68.14 O HETATM 3297 O HOH A1254 23.288 -11.893 3.399 1.00 63.50 O HETATM 3298 O HOH A1255 22.111 30.609 21.900 1.00 52.79 O HETATM 3299 O HOH A1256 27.423 -5.336 31.356 1.00 49.44 O HETATM 3300 O HOH A1257 13.606 3.472 14.665 1.00 42.43 O HETATM 3301 O HOH A1258 34.292 9.746 28.337 1.00 43.45 O HETATM 3302 O HOH A1259 24.164 5.486 31.997 1.00 68.44 O HETATM 3303 O HOH A1260 34.858 20.528 14.967 1.00 49.83 O HETATM 3304 O HOH A1261 33.847 -12.512 18.786 1.00 60.92 O HETATM 3305 O HOH A1262 22.743 10.747 3.567 1.00 42.31 O HETATM 3306 O HOH A1263 17.771 -10.938 -0.720 1.00 61.28 O HETATM 3307 O HOH A1264 37.099 15.651 21.499 1.00 65.48 O HETATM 3308 O HOH A1265 30.038 9.783 29.985 1.00 29.01 O HETATM 3309 O HOH A1266 37.140 -1.015 -12.209 1.00 50.15 O HETATM 3310 O HOH A1267 28.951 17.671 31.710 1.00 37.21 O HETATM 3311 O HOH A1268 22.711 -8.513 13.342 1.00 58.25 O HETATM 3312 O HOH A1269 44.705 5.294 23.460 1.00 55.38 O HETATM 3313 O HOH A1270 28.204 8.025 30.991 1.00 43.17 O HETATM 3314 O HOH A1271 23.067 2.774 30.812 1.00 66.25 O HETATM 3315 O HOH A1272 40.128 10.127 26.135 1.00 53.94 O HETATM 3316 O HOH A1273 31.481 6.902 7.593 1.00 33.46 O HETATM 3317 O HOH A1274 30.787 25.867 27.086 1.00 49.03 O HETATM 3318 O HOH A1275 32.936 -14.841 29.695 1.00 58.97 O HETATM 3319 O HOH A1276 23.688 12.015 5.530 1.00 52.34 O HETATM 3320 O HOH A1277 33.025 9.642 7.421 1.00 46.93 O HETATM 3321 O HOH A1278 18.661 -6.704 30.168 1.00 63.70 O HETATM 3322 O HOH A1279 43.602 -8.512 19.294 1.00 60.60 O HETATM 3323 O HOH A1280 37.680 13.199 20.115 1.00 61.75 O HETATM 3324 O HOH A1281 13.153 5.978 21.900 1.00 63.23 O HETATM 3325 O HOH A1282 35.569 22.106 23.663 1.00 58.34 O HETATM 3326 O HOH A1283 24.855 20.661 10.430 1.00 66.30 O HETATM 3327 O HOH A1284 18.257 11.658 4.488 1.00 58.78 O HETATM 3328 O HOH A1285 14.215 35.473 30.928 1.00 73.74 O HETATM 3329 O HOH A1286 32.812 -20.002 23.359 1.00 49.22 O HETATM 3330 O HOH A1287 34.461 20.293 20.654 1.00 48.59 O HETATM 3331 O HOH A1288 20.674 -2.816 -7.567 1.00 60.78 O HETATM 3332 O HOH A1289 12.986 8.866 31.130 1.00 54.00 O HETATM 3333 O HOH A1290 10.494 13.535 31.330 1.00 70.73 O HETATM 3334 O HOH A1291 37.802 12.809 29.267 1.00 81.10 O HETATM 3335 O HOH A1292 13.991 1.066 18.030 1.00 68.88 O HETATM 3336 O HOH A1293 14.960 0.041 30.589 1.00 79.79 O HETATM 3337 O HOH A1294 33.966 14.956 29.936 1.00 34.53 O HETATM 3338 O HOH A1295 31.306 14.840 34.492 1.00 74.71 O HETATM 3339 O HOH A1296 22.246 23.474 18.111 1.00 76.10 O HETATM 3340 O HOH A1297 40.782 -7.929 28.421 1.00 59.73 O HETATM 3341 O HOH A1298 34.059 23.705 21.549 1.00 56.07 O HETATM 3342 O HOH A1299 22.848 11.051 -1.240 1.00 64.01 O HETATM 3343 O HOH A1300 37.175 18.924 23.449 1.00 56.80 O HETATM 3344 O HOH A1301 16.304 10.324 10.592 1.00 47.09 O HETATM 3345 O HOH A1302 23.281 11.105 8.456 1.00 45.96 O HETATM 3346 O HOH A1303 21.387 -13.641 4.377 1.00 81.58 O HETATM 3347 O HOH A1304 35.770 15.785 13.475 1.00 60.52 O HETATM 3348 O HOH A1305 40.206 6.875 22.140 1.00 47.03 O HETATM 3349 O HOH A1306 22.341 13.029 10.592 1.00 49.62 O HETATM 3350 O HOH A1307 22.103 8.992 8.524 1.00 34.56 O HETATM 3351 O HOH A1308 16.460 0.402 13.639 1.00 39.70 O HETATM 3352 O HOH A1309 24.216 11.090 -5.560 1.00 66.96 O HETATM 3353 O HOH A1310 25.185 -5.563 30.470 1.00 40.24 O HETATM 3354 O HOH A1311 31.878 5.911 29.978 1.00 32.28 O HETATM 3355 O HOH A1312 20.187 -15.247 2.233 1.00 80.83 O HETATM 3356 O HOH A1313 33.113 17.592 33.643 1.00 55.62 O HETATM 3357 O HOH A1314 30.067 5.780 31.409 1.00 49.61 O HETATM 3358 O HOH A1315 36.195 -12.152 30.084 1.00 48.79 O HETATM 3359 O HOH A1316 34.829 12.305 29.483 1.00 45.42 O HETATM 3360 O HOH A1317 9.459 11.600 33.867 1.00 74.37 O HETATM 3361 O HOH A1318 14.638 7.322 32.968 1.00 68.34 O HETATM 3362 O HOH B1001 11.710 29.296 26.926 1.00110.06 O HETATM 3363 O HOH B1002 -13.057 14.098 10.720 1.00 39.54 O HETATM 3364 O HOH B1003 -6.348 34.532 25.091 1.00 53.30 O HETATM 3365 O HOH B1004 -2.860 17.747 30.174 1.00 70.35 O HETATM 3366 O HOH B1005 -13.149 28.997 39.770 1.00 53.99 O HETATM 3367 O HOH B1006 19.472 20.090 16.961 1.00 51.73 O HETATM 3368 O HOH B1007 -15.589 5.778 13.273 1.00 69.46 O HETATM 3369 O HOH B1008 3.923 17.931 28.275 1.00 44.08 O HETATM 3370 O HOH B1009 -14.468 15.592 23.331 1.00 80.92 O HETATM 3371 O HOH B1010 3.572 13.173 9.246 1.00 55.64 O HETATM 3372 O HOH B1011 -6.003 18.368 2.565 1.00 69.06 O HETATM 3373 O HOH B1012 -9.148 5.986 15.272 1.00 57.87 O HETATM 3374 O HOH B1013 -0.187 19.017 35.849 1.00 39.41 O HETATM 3375 O HOH B1014 -10.308 31.520 18.192 1.00 36.65 O HETATM 3376 O HOH B1015 3.573 19.097 26.009 1.00 29.51 O HETATM 3377 O HOH B1016 -13.595 30.735 38.659 1.00 46.24 O HETATM 3378 O HOH B1017 14.539 37.301 20.810 1.00 60.42 O HETATM 3379 O HOH B1018 -13.622 21.047 5.271 1.00 60.36 O HETATM 3380 O HOH B1019 -4.252 7.599 13.852 1.00 64.33 O HETATM 3381 O HOH B1020 -9.945 7.758 21.587 1.00 49.90 O HETATM 3382 O HOH B1021 -21.269 13.367 11.870 1.00 48.78 O HETATM 3383 O HOH B1022 -15.510 29.757 17.995 1.00 63.22 O HETATM 3384 O HOH B1023 -12.666 33.764 25.450 1.00 81.30 O HETATM 3385 O HOH B1024 6.099 24.104 3.451 1.00 57.46 O HETATM 3386 O HOH B1025 -11.946 22.205 22.737 1.00 35.51 O HETATM 3387 O HOH B1026 14.939 34.038 26.953 1.00 48.87 O HETATM 3388 O HOH B1027 1.623 9.169 21.981 1.00 58.24 O HETATM 3389 O HOH B1028 3.707 20.242 32.761 1.00 49.06 O HETATM 3390 O HOH B1029 -19.313 30.213 12.594 1.00 51.48 O HETATM 3391 O HOH B1030 13.384 38.498 27.116 1.00 44.41 O HETATM 3392 O HOH B1031 7.473 22.756 27.114 1.00 29.82 O HETATM 3393 O HOH B1032 -9.694 33.030 11.560 1.00 60.92 O HETATM 3394 O HOH B1033 16.709 26.470 10.776 1.00 72.84 O HETATM 3395 O HOH B1034 1.769 26.586 3.232 1.00 50.31 O HETATM 3396 O HOH B1035 8.148 15.192 5.069 1.00 62.99 O HETATM 3397 O HOH B1036 -16.169 24.485 35.239 1.00 69.13 O HETATM 3398 O HOH B1037 -13.895 31.064 15.371 1.00 48.72 O HETATM 3399 O HOH B1038 -6.379 28.052 6.143 1.00 64.85 O HETATM 3400 O HOH B1039 -7.878 22.498 37.095 1.00 29.95 O HETATM 3401 O HOH B1040 10.250 38.264 30.997 1.00 49.78 O HETATM 3402 O HOH B1041 -4.163 10.731 23.273 1.00 45.31 O HETATM 3403 O HOH B1042 -11.633 30.951 11.304 1.00 42.52 O HETATM 3404 O HOH B1043 -15.912 25.872 26.660 1.00 49.01 O HETATM 3405 O HOH B1044 13.978 25.698 3.177 1.00 67.40 O HETATM 3406 O HOH B1045 0.845 11.685 27.532 1.00 46.07 O HETATM 3407 O HOH B1046 -21.700 14.687 3.235 1.00 70.00 O HETATM 3408 O HOH B1047 7.397 23.744 29.346 1.00 55.28 O HETATM 3409 O HOH B1048 10.539 31.769 28.295 1.00 35.73 O HETATM 3410 O HOH B1049 -19.466 21.892 1.676 1.00 84.91 O HETATM 3411 O HOH B1050 14.036 29.700 26.717 1.00 40.06 O HETATM 3412 O HOH B1051 11.495 13.067 19.508 1.00 47.71 O HETATM 3413 O HOH B1052 -14.303 15.965 19.340 1.00 39.90 O HETATM 3414 O HOH B1053 0.020 29.069 6.686 1.00 42.13 O HETATM 3415 O HOH B1054 0.699 13.049 9.666 1.00 37.28 O HETATM 3416 O HOH B1055 -7.726 31.068 19.244 1.00 29.23 O HETATM 3417 O HOH B1056 -8.181 40.688 38.543 1.00 71.86 O HETATM 3418 O HOH B1057 3.763 13.667 11.991 1.00 41.97 O HETATM 3419 O HOH B1058 15.108 24.213 16.374 1.00 45.33 O HETATM 3420 O HOH B1059 10.486 11.732 13.639 1.00 62.68 O HETATM 3421 O HOH B1060 -0.308 34.006 17.650 1.00 51.24 O HETATM 3422 O HOH B1061 -10.185 11.015 1.132 1.00 70.54 O HETATM 3423 O HOH B1062 -23.192 15.051 6.912 1.00 56.89 O HETATM 3424 O HOH B1063 -0.036 11.985 16.714 1.00 53.28 O HETATM 3425 O HOH B1064 11.073 18.115 22.199 1.00 30.63 O HETATM 3426 O HOH B1065 11.076 18.268 25.095 1.00 36.23 O HETATM 3427 O HOH B1066 -12.872 14.820 16.139 1.00 28.35 O HETATM 3428 O HOH B1067 4.172 27.267 31.719 1.00 31.15 O HETATM 3429 O HOH B1068 -0.129 10.093 20.730 1.00 48.03 O HETATM 3430 O HOH B1069 0.177 36.012 7.929 1.00 64.52 O HETATM 3431 O HOH B1070 -1.139 37.673 38.534 1.00 65.82 O HETATM 3432 O HOH B1071 7.137 14.713 9.325 1.00 53.18 O HETATM 3433 O HOH B1072 -8.612 42.513 41.038 0.50104.81 O HETATM 3434 O HOH B1073 13.612 31.304 7.016 1.00 66.69 O HETATM 3435 O HOH B1074 13.038 30.237 19.376 1.00 52.56 O HETATM 3436 O HOH B1075 8.064 19.743 4.986 1.00 63.17 O HETATM 3437 O HOH B1076 -16.897 16.074 15.665 1.00 44.26 O HETATM 3438 O HOH B1077 8.389 39.468 29.177 1.00 89.42 O HETATM 3439 O HOH B1078 -14.110 30.745 20.429 1.00 41.15 O HETATM 3440 O HOH B1079 2.178 11.301 13.730 1.00 48.07 O HETATM 3441 O HOH B1080 -2.442 19.902 28.641 1.00 24.64 O HETATM 3442 O HOH B1081 -1.490 34.884 21.186 1.00 54.54 O HETATM 3443 O HOH B1082 -12.343 27.069 23.666 1.00 42.44 O HETATM 3444 O HOH B1083 -14.638 15.922 12.141 1.00 36.66 O HETATM 3445 O HOH B1084 -5.577 35.194 19.169 1.00 57.97 O HETATM 3446 O HOH B1085 8.363 9.502 17.751 1.00 63.99 O HETATM 3447 O HOH B1086 9.977 23.035 25.966 1.00 26.61 O HETATM 3448 O HOH B1087 -9.677 23.190 5.802 1.00 56.13 O HETATM 3449 O HOH B1088 -5.468 20.389 5.873 1.00 46.09 O HETATM 3450 O HOH B1089 -11.367 33.574 29.425 1.00 66.24 O HETATM 3451 O HOH B1090 3.258 24.794 32.823 1.00 37.72 O HETATM 3452 O HOH B1091 16.963 22.491 13.836 1.00 38.79 O HETATM 3453 O HOH B1092 -24.702 20.258 8.878 1.00 36.21 O HETATM 3454 O HOH B1093 -4.762 14.328 25.308 1.00 35.32 O HETATM 3455 O HOH B1094 8.310 27.904 2.382 1.00 48.42 O HETATM 3456 O HOH B1095 -6.952 20.344 38.829 1.00 46.25 O HETATM 3457 O HOH B1096 -15.660 32.199 9.337 1.00 60.27 O HETATM 3458 O HOH B1097 -6.331 32.828 17.561 1.00 31.17 O HETATM 3459 O HOH B1098 15.651 29.830 19.553 1.00 66.63 O HETATM 3460 O HOH B1099 -13.580 30.387 23.271 1.00 58.46 O HETATM 3461 O HOH B1100 -10.644 14.841 11.563 1.00 31.57 O HETATM 3462 O HOH B1101 11.182 15.620 20.462 1.00 51.36 O HETATM 3463 O HOH B1102 -9.401 12.115 23.524 1.00 36.81 O HETATM 3464 O HOH B1103 2.816 29.327 6.357 1.00 38.62 O HETATM 3465 O HOH B1104 15.528 24.776 9.380 1.00 46.16 O HETATM 3466 O HOH B1105 17.683 40.158 26.383 1.00 38.32 O HETATM 3467 O HOH B1106 0.077 9.316 15.503 1.00 51.68 O HETATM 3468 O HOH B1107 -7.732 36.930 30.518 1.00 53.09 O HETATM 3469 O HOH B1108 -14.584 4.442 10.000 1.00 78.39 O HETATM 3470 O HOH B1109 -8.365 8.525 4.258 1.00 69.91 O HETATM 3471 O HOH B1110 10.137 21.809 4.468 1.00 50.97 O HETATM 3472 O HOH B1111 2.447 20.273 6.204 1.00 40.54 O HETATM 3473 O HOH B1112 -11.258 14.012 -2.643 1.00 50.53 O HETATM 3474 O HOH B1113 6.658 37.498 30.130 1.00 42.61 O HETATM 3475 O HOH B1114 -3.376 22.191 4.536 1.00 55.94 O HETATM 3476 O HOH B1115 -0.854 16.450 6.676 1.00 30.82 O HETATM 3477 O HOH B1116 -10.564 15.182 14.339 1.00 27.17 O HETATM 3478 O HOH B1117 8.665 33.921 31.219 1.00 64.21 O HETATM 3479 O HOH B1118 1.136 18.483 25.127 1.00 26.64 O HETATM 3480 O HOH B1119 -11.365 21.113 6.498 1.00 50.10 O HETATM 3481 O HOH B1120 7.701 16.553 20.339 1.00 28.73 O HETATM 3482 O HOH B1121 0.650 36.633 41.713 1.00 57.87 O HETATM 3483 O HOH B1122 -6.227 9.878 6.405 1.00 44.35 O HETATM 3484 O HOH B1123 -6.034 22.383 26.040 1.00 30.12 O HETATM 3485 O HOH B1124 -7.995 33.719 32.095 1.00 31.88 O HETATM 3486 O HOH B1125 2.984 36.333 21.927 1.00 66.05 O HETATM 3487 O HOH B1126 8.839 28.768 41.201 1.00 68.98 O HETATM 3488 O HOH B1127 2.263 36.005 24.405 1.00 43.30 O HETATM 3489 O HOH B1128 -0.579 35.711 11.231 1.00 49.41 O HETATM 3490 O HOH B1129 -10.399 1.943 9.612 1.00 75.61 O HETATM 3491 O HOH B1130 -10.921 23.920 24.706 1.00 31.41 O HETATM 3492 O HOH B1131 -9.351 12.266 11.591 1.00 28.43 O HETATM 3493 O HOH B1132 -2.373 5.480 9.986 1.00 81.21 O HETATM 3494 O HOH B1133 12.208 43.449 23.345 1.00 62.65 O HETATM 3495 O HOH B1134 -16.350 24.319 22.973 1.00 39.97 O HETATM 3496 O HOH B1135 -10.740 31.190 24.629 1.00 34.00 O HETATM 3497 O HOH B1136 5.333 37.194 13.630 1.00 56.74 O HETATM 3498 O HOH B1137 -14.698 10.123 20.905 1.00 55.01 O HETATM 3499 O HOH B1138 -8.006 20.380 33.895 1.00 32.43 O HETATM 3500 O HOH B1139 -10.920 10.356 22.085 1.00 36.00 O HETATM 3501 O HOH B1140 -7.411 18.222 26.243 1.00 41.40 O HETATM 3502 O HOH B1141 -14.830 17.689 22.560 1.00 61.66 O HETATM 3503 O HOH B1142 4.562 39.516 39.081 1.00 72.27 O HETATM 3504 O HOH B1143 19.401 18.162 10.734 1.00 73.27 O HETATM 3505 O HOH B1144 1.386 19.292 38.465 1.00 61.21 O HETATM 3506 O HOH B1145 -10.377 33.729 27.077 1.00 54.97 O HETATM 3507 O HOH B1146 -20.359 9.451 11.722 1.00 53.14 O HETATM 3508 O HOH B1147 8.576 14.667 13.579 1.00 30.18 O HETATM 3509 O HOH B1148 -18.021 30.395 32.842 1.00 53.57 O HETATM 3510 O HOH B1149 -10.324 35.694 30.711 1.00 61.66 O HETATM 3511 O HOH B1150 1.623 18.327 29.564 1.00 35.95 O HETATM 3512 O HOH B1151 -16.945 14.936 13.358 1.00 38.92 O HETATM 3513 O HOH B1152 -26.967 17.850 7.055 1.00 44.70 O HETATM 3514 O HOH B1153 10.216 29.271 29.028 1.00 35.68 O HETATM 3515 O HOH B1154 7.556 35.253 33.116 1.00 56.70 O HETATM 3516 O HOH B1155 -20.041 29.047 31.338 1.00 61.13 O HETATM 3517 O HOH B1156 -6.399 37.758 28.095 1.00 60.41 O HETATM 3518 O HOH B1157 -13.503 6.199 20.440 1.00 84.35 O HETATM 3519 O HOH B1158 6.543 30.855 3.406 1.00 52.21 O HETATM 3520 O HOH B1159 1.151 41.221 32.542 1.00 70.70 O HETATM 3521 O HOH B1160 -8.555 3.954 10.482 1.00 78.43 O HETATM 3522 O HOH B1161 10.892 15.385 5.480 1.00 73.19 O HETATM 3523 O HOH B1162 -5.816 30.594 41.233 1.00 47.39 O HETATM 3524 O HOH B1163 -25.378 20.449 3.863 1.00 38.38 O HETATM 3525 O HOH B1164 -0.735 6.406 7.449 1.00 61.37 O HETATM 3526 O HOH B1165 -6.817 10.649 22.726 1.00 29.10 O HETATM 3527 O HOH B1166 2.912 37.585 41.401 1.00 76.43 O HETATM 3528 O HOH B1167 -11.716 16.334 25.001 1.00 45.68 O HETATM 3529 O HOH B1168 -2.068 24.654 4.591 1.00 55.59 O HETATM 3530 O HOH B1169 -4.714 30.663 6.141 1.00 56.87 O HETATM 3531 O HOH B1170 17.316 36.103 20.959 1.00 54.62 O HETATM 3532 O HOH B1171 6.586 28.426 34.725 1.00 46.06 O HETATM 3533 O HOH B1172 11.315 39.942 28.821 1.00 53.96 O HETATM 3534 O HOH B1173 -24.988 16.377 3.271 1.00 69.21 O HETATM 3535 O HOH B1174 10.578 28.658 30.992 1.00 69.53 O HETATM 3536 O HOH B1175 3.068 10.960 16.991 1.00 66.82 O HETATM 3537 O HOH B1176 -4.477 36.633 24.554 1.00 51.19 O HETATM 3538 O HOH B1177 4.818 38.751 31.761 1.00 68.76 O HETATM 3539 O HOH B1178 1.118 28.298 47.332 1.00 55.20 O HETATM 3540 O HOH B1179 -2.067 11.688 27.571 1.00 65.50 O HETATM 3541 O HOH B1180 6.987 32.804 37.602 1.00 56.83 O HETATM 3542 O HOH B1181 -27.743 25.755 5.000 1.00 70.65 O HETATM 3543 O HOH B1182 12.536 15.605 7.779 1.00 79.25 O HETATM 3544 O HOH B1183 -3.685 10.229 5.384 1.00 48.75 O HETATM 3545 O HOH B1184 -20.986 12.965 5.578 1.00 56.63 O HETATM 3546 O HOH B1185 -17.201 12.673 15.179 1.00 60.51 O HETATM 3547 O HOH B1186 9.206 15.506 11.730 1.00 54.01 O HETATM 3548 O HOH B1187 1.057 40.327 30.236 1.00 85.79 O HETATM 3549 O HOH B1188 -11.130 7.335 14.026 1.00 53.45 O HETATM 3550 O HOH B1189 7.656 21.846 3.079 1.00 58.18 O HETATM 3551 O HOH B1190 9.119 13.499 29.249 1.00 72.29 O HETATM 3552 O HOH B1191 0.929 35.211 19.989 1.00 76.75 O HETATM 3553 O HOH B1192 2.612 16.583 4.068 1.00 69.13 O HETATM 3554 O HOH B1193 -13.459 10.740 23.519 1.00 69.96 O HETATM 3555 O HOH B1194 1.800 37.733 28.895 1.00 44.10 O HETATM 3556 O HOH B1195 11.176 28.959 0.839 1.00 55.03 O HETATM 3557 O HOH B1196 -8.051 40.119 36.046 1.00 67.80 O HETATM 3558 O HOH B1197 -1.354 36.381 14.075 1.00 73.06 O HETATM 3559 O HOH B1198 -10.103 32.803 22.788 1.00 52.52 O HETATM 3560 O HOH B1199 8.707 30.915 36.625 1.00 67.71 O HETATM 3561 O HOH B1200 -17.213 28.604 25.938 1.00 56.56 O HETATM 3562 O HOH B1201 0.867 31.780 46.532 1.00 56.83 O HETATM 3563 O HOH B1202 -4.712 26.191 4.486 1.00 68.17 O HETATM 3564 O HOH B1203 -11.767 32.418 20.246 1.00 42.93 O HETATM 3565 O HOH B1204 -7.747 20.123 4.084 1.00 58.31 O HETATM 3566 O HOH B1205 -3.268 16.586 5.342 1.00 38.72 O HETATM 3567 O HOH B1206 -12.493 31.385 8.439 1.00 59.16 O HETATM 3568 O HOH B1207 -9.391 20.844 31.375 1.00 33.35 O HETATM 3569 O HOH B1208 -4.092 9.177 25.408 1.00 55.17 O HETATM 3570 O HOH B1209 9.216 30.158 32.791 1.00 62.69 O HETATM 3571 O HOH B1210 -19.995 12.298 -2.113 1.00 55.39 O HETATM 3572 O HOH B1211 1.278 37.795 26.405 1.00 64.17 O HETATM 3573 O HOH B1212 -3.482 14.139 3.997 1.00 58.13 O HETATM 3574 O HOH B1213 -4.349 39.123 29.557 1.00 59.51 O HETATM 3575 O HOH B1214 -15.771 13.874 18.604 1.00 50.73 O HETATM 3576 O HOH B1215 -3.027 14.801 27.349 1.00 58.36 O HETATM 3577 O HOH B1216 -2.223 36.649 23.061 1.00 57.38 O HETATM 3578 O HOH B1217 15.068 36.457 28.174 1.00 53.71 O HETATM 3579 O HOH B1218 -1.557 40.496 29.941 1.00 65.80 O HETATM 3580 O HOH B1219 -5.245 14.400 31.171 1.00 68.64 O HETATM 3581 O HOH B1220 -14.277 30.551 13.169 1.00 63.13 O HETATM 3582 O HOH B1221 -4.732 16.365 29.149 1.00 57.73 O HETATM 3583 O HOH B1222 -1.961 8.862 27.363 1.00 61.15 O HETATM 3584 O HOH B1223 -14.276 33.816 23.667 1.00 57.27 O HETATM 3585 O HOH B1224 -0.117 13.556 6.999 1.00 60.22 O HETATM 3586 O HOH B1225 17.971 31.242 19.622 1.00 83.60 O HETATM 3587 O HOH B1226 -0.900 15.843 27.832 1.00 47.57 O HETATM 3588 O HOH B1227 -4.733 6.351 18.255 1.00 66.71 O HETATM 3589 O HOH B1228 -3.569 18.988 4.209 1.00 58.57 O HETATM 3590 O HOH B1229 -0.292 18.476 27.492 1.00 26.57 O HETATM 3591 O HOH B1230 -1.768 39.870 41.022 1.00 63.83 O HETATM 3592 O HOH B1231 13.199 32.083 28.007 1.00 35.83 O HETATM 3593 O HOH B1232 -5.773 33.112 23.277 1.00 44.91 O HETATM 3594 O HOH B1233 -9.970 21.115 35.790 1.00 37.49 O HETATM 3595 O HOH B1234 6.534 39.586 33.984 1.00 67.59 O HETATM 3596 O HOH B1235 3.459 30.506 3.880 1.00 56.86 O HETATM 3597 O HOH B1236 4.442 10.708 8.184 1.00 71.59 O HETATM 3598 O HOH B1237 -10.271 21.744 4.023 1.00 81.72 O HETATM 3599 O HOH B1238 -20.788 6.296 17.345 1.00 87.80 O HETATM 3600 O HOH B1239 -16.830 31.366 16.236 1.00 61.24 O HETATM 3601 O HOH B1240 -7.580 8.156 22.729 1.00 49.19 O HETATM 3602 O HOH B1241 16.431 26.868 20.064 1.00 50.10 O HETATM 3603 O HOH B1242 -1.415 20.460 3.847 1.00 54.77 O HETATM 3604 O HOH B1243 -8.814 22.816 26.658 1.00 29.45 O HETATM 3605 O HOH B1244 6.232 12.908 12.972 1.00 57.47 O HETATM 3606 O HOH B1245 -0.112 36.069 0.270 1.00117.87 O HETATM 3607 O HOH B1246 -2.760 8.957 21.587 1.00 60.33 O HETATM 3608 O HOH B1247 -4.146 28.562 4.658 1.00 68.20 O HETATM 3609 O HOH B1248 -7.711 32.969 21.361 1.00 41.06 O HETATM 3610 O HOH B1249 -9.459 20.279 26.547 1.00 49.68 O HETATM 3611 O HOH B1250 14.738 45.291 21.089 1.00 63.01 O HETATM 3612 O HOH B1251 -10.112 34.222 16.911 1.00 52.35 O HETATM 3613 O HOH B1252 -11.425 19.631 24.412 1.00 44.83 O HETATM 3614 O HOH B1253 9.124 36.475 36.353 1.00 74.71 O HETATM 3615 O HOH B1254 0.727 18.376 5.294 1.00 43.05 O HETATM 3616 O HOH B1255 7.728 35.300 38.754 1.00 81.00 O HETATM 3617 O HOH B1256 -4.791 6.768 20.808 1.00 60.36 O HETATM 3618 O HOH B1257 -10.799 34.907 14.130 1.00 76.40 O HETATM 3619 O HOH B1258 19.824 12.791 7.201 1.00 60.94 O HETATM 3620 O HOH B1259 -12.991 21.509 27.856 1.00 63.47 O HETATM 3621 O HOH B1260 -12.489 35.633 20.283 1.00 74.46 O HETATM 3622 O HOH B1261 -7.577 7.221 25.520 1.00 71.30 O CONECT 36 3019 CONECT 58 3019 CONECT 135 3020 CONECT 156 3020 CONECT 198 3019 CONECT 226 3019 CONECT 332 3020 CONECT 357 3020 CONECT 437 3021 CONECT 454 3021 CONECT 1578 3038 CONECT 1600 3038 CONECT 1680 3039 CONECT 1701 3039 CONECT 1743 3038 CONECT 1771 3038 CONECT 1881 3039 CONECT 1906 3039 CONECT 3019 36 58 198 226 CONECT 3020 135 156 332 357 CONECT 3021 437 454 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